#DEFINITION	Reference Metabolome for Ardisia japonica
#IDENTTFIER	RefMeta-Ardisia japonica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Ardisia 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 Ardisia 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	1008.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77483	0.5
69.77816	0.5
71.04993	0.6
73.02905	0.5
77.03934	0.4
79.05495	5.4
81.03413	1.6
81.07055	5.8
83.04987	0.7
83.08607	1.4
85.02905	13.1
87.04470	0.4
91.03947	0.5
91.05469	3.8
93.03422	1.1
93.07044	5.7
95.04961	2.0
95.08609	4.2
97.02893	4.5
97.06529	4.4
97.10152	0.5
98.22677	0.5
99.04464	0.7
105.06996	2.6
107.04964	1.9
107.08588	2.7
109.02885	2.0
109.06497	1.3
109.10161	2.4
111.04432	4.2
111.08081	1.0
115.05429	0.6
117.07012	1.7
119.04964	1.7
119.08560	3.2
121.02864	1.7
121.06488	1.3
121.10154	5.7
123.04429	6.5
123.08084	0.7
123.11748	0.8
125.02296	0.4
125.09574	0.6
127.03911	11.7
129.06987	0.9
131.04939	0.8
131.08566	1.6
133.02847	0.7
133.06499	2.7
133.10127	4.5
135.04422	1.0
135.08035	0.8
135.11682	2.0
137.02292	0.4
137.06003	1.4
137.09576	0.5
139.03896	56.4
140.04277	0.3
141.50301	0.3
143.04893	0.6
144.86931	0.3
145.04956	7.4
145.06367	1.6
145.10110	4.0
147.04410	5.1
147.08040	1.2
147.11723	0.4
149.02324	0.5
149.05943	3.1
149.09612	0.7
151.03929	2.4
151.07553	0.7
151.11186	4.5
153.01787	0.5
153.05461	3.2
155.03383	23.5
155.08519	0.6
157.06528	0.8
159.04384	3.1
159.08063	1.5
159.11682	0.4
161.05975	6.3
161.09637	0.7
163.03902	18.2
163.06020	5.1
163.07526	3.7
163.11188	3.1
165.05479	11.9
165.06660	0.3
167.03391	1.0
167.07004	0.5
169.06477	0.4
171.02916	0.8
171.04335	0.6
173.05983	2.8
173.09650	0.6
173.13147	0.4
175.03978	0.4
175.07545	2.5
177.05492	7.8
177.09172	1.8
179.03407	3.6
179.07027	18.8
181.04958	1.5
185.05972	0.5
187.07529	3.2
187.14944	0.5
189.05478	4.9
189.09094	0.7
191.03445	0.5
191.05295	0.5
191.07021	8.0
191.08673	0.7
193.04941	1.3
193.08572	3.9
197.06015	0.4
197.09602	0.7
197.13232	0.6
199.07515	0.6
201.09122	1.3
201.12808	0.6
203.06981	2.7
205.04984	3.2
205.08571	6.9
207.11734	0.8
211.07503	1.0
213.05478	0.4
215.07043	1.1
215.10616	0.4
215.14291	1.7
217.05060	0.4
217.08578	0.5
219.10172	0.9
221.04414	3.7
225.09154	0.6
225.12747	3.0
227.07199	0.5
229.04965	0.4
229.08630	1.2
229.12276	0.6
233.15318	2.2
235.11157	1.0
235.16920	1.0
243.10185	0.8
243.13829	4.6
245.04503	0.8
245.08208	0.6
245.11729	0.3
247.13240	2.4
253.12189	3.8
261.14868	7.3
263.16501	1.9
264.40063	0.5
265.14352	6.8
267.13846	0.5
271.13278	13.9
285.14896	1.0
289.14328	30.8
292.39993	0.3
295.13474	0.7
307.15381	57.1
308.15509	0.6
313.14261	0.7
325.11621	3.9
325.16443	100.0
326.16858	1.0
327.15814	0.8
331.15408	4.6
337.14337	0.5
343.17502	48.0
349.16449	4.4
355.15540	1.2
367.17487	4.3
369.16986	0.6
373.16437	5.4
379.15375	0.6
391.17514	5.4
397.16254	2.3
409.18573	9.2
415.17502	2.8
433.18542	3.4
441.87729	0.3
451.19675	4.0
469.20718	1.9
487.21875	1.8
872.57080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.3
66.80795	3.6
68.06182	4.1
71.43655	5.6
79.31301	3.5
83.01521	7.8
88.70866	4.2
100.02518	6.7
101.00874	34.3
101.02547	23.5
102.02235	8.9
102.09188	4.2
119.01913	100.0
119.03623	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01873	0.7
55.05511	5.4
56.05027	3.5
56.96562	1.9
57.03439	1.0
59.04994	4.0
60.04517	1.6
71.04986	1.4
73.02905	1.2
74.06085	1.9
82.99821	0.8
83.04962	3.1
84.04494	2.4
85.02897	6.3
89.00265	1.6
93.52858	0.8
98.00800	1.1
100.02469	1.5
101.00876	20.7
101.02538	6.3
101.06014	3.3
101.07157	0.8
101.07951	2.5
101.10776	1.1
101.28671	0.7
102.02251	1.5
102.05544	1.6
102.09185	2.9
102.12836	1.2
103.49599	0.7
118.03506	1.7
119.01920	100.0
119.03686	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	1016.6732
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52708	1.6
71.04970	0.9
71.08625	0.8
73.02914	3.6
73.06563	3.7
77.03904	0.8
79.05481	1.5
87.04469	43.4
89.06031	100.0
91.05475	8.6
91.07604	1.3
93.07040	5.0
95.04979	3.5
103.05494	2.5
105.04519	1.3
105.07036	2.0
107.04941	1.7
107.07083	1.0
107.08578	3.3
109.06517	1.6
113.06015	2.0
115.05468	0.9
115.07568	0.7
117.07032	3.0
117.09145	5.4
118.07790	5.7
119.04962	3.7
119.08551	4.5
121.06506	18.7
121.10122	1.3
130.08676	2.2
131.07047	17.2
133.08603	72.6
135.08067	3.2
135.11742	1.9
147.08043	11.6
149.09592	4.2
149.13339	1.0
150.06743	4.7
157.08701	1.0
159.10333	0.9
159.11690	1.4
161.11720	2.0
163.07492	1.2
163.11221	2.7
165.09108	5.7
167.10735	1.9
173.09572	0.9
175.09679	13.4
175.11098	1.7
177.11234	26.6
177.12675	1.8
191.10591	4.2
193.12332	2.0
207.10184	1.0
209.11829	2.1
210.98334	0.7
211.13298	3.7
219.12219	4.4
221.13849	5.9
231.17499	1.0
233.19000	19.0
235.13380	2.8
237.13341	1.0
247.20692	1.2
251.13124	0.7
255.16019	2.6
259.20563	4.6
265.16571	2.0
275.20181	1.0
275.23840	1.7
277.21628	27.2
279.15936	2.1
283.17679	2.3
299.18796	1.7
303.23294	4.2
305.24863	1.0
309.19202	1.9
319.22827	1.9
321.24228	8.7
323.18805	0.7
343.21387	0.7
353.21844	1.7
397.24481	1.1
473.56406	0.7
804.07220	0.8
999.64618	6.8
1016.67303	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	1016.6724
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05004	0.7
73.02899	2.7
73.06561	2.2
81.07068	0.6
87.04067	1.1
87.04463	47.6
89.06026	100.0
91.05478	2.0
91.07610	0.6
93.07047	0.8
95.04974	1.2
96.38928	0.5
97.06508	0.4
98.72685	0.5
99.96053	0.5
105.07045	1.1
107.04960	0.8
107.07061	1.9
113.06004	2.6
114.71683	0.4
117.07031	0.9
117.09140	2.3
119.04920	0.7
119.08565	1.5
121.06486	2.9
130.08633	2.6
131.04935	0.7
131.07040	13.5
133.08600	70.7
135.08060	0.7
145.10120	0.7
147.08067	3.4
149.09633	2.2
157.08621	0.6
161.09676	0.6
161.11728	0.9
163.07504	0.6
173.09622	1.7
175.09674	13.8
175.11156	1.3
175.85454	0.4
177.11214	31.2
191.10635	1.8
193.10667	0.7
193.12224	1.1
201.11179	0.5
209.11737	1.2
217.12233	0.8
219.12242	5.9
219.14165	0.5
221.13855	6.2
233.19064	1.3
235.13405	1.1
239.14897	1.5
245.13806	0.7
259.20560	3.0
261.22153	0.8
263.14871	0.8
265.16544	1.5
275.19858	0.5
277.21576	0.9
283.17700	2.4
297.16949	0.7
299.18433	0.9
303.23157	1.8
305.24829	0.6
307.17606	0.5
309.19141	1.1
327.20087	1.0
343.20987	1.0
353.21558	1.0
371.22852	0.6
397.24374	0.7
441.26743	0.7
472.16962	0.5
485.29068	0.5
529.31158	0.6
624.56390	0.5
722.25751	0.5
999.63690	0.9
1016.67755	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	1018.8075
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05508	13.7
81.07054	50.0
83.08627	7.9
91.05473	17.4
93.07053	39.6
95.04971	8.7
95.08610	87.4
97.10211	3.4
105.04524	3.3
105.07050	31.8
107.08593	63.1
107.09341	3.2
109.10144	54.4
111.08076	3.4
111.11745	7.4
117.07020	7.5
119.08571	43.7
121.06517	5.0
121.10148	41.7
123.01194	3.2
123.08050	3.1
123.11720	29.1
131.08556	10.2
133.10135	38.0
135.08087	5.5
135.11688	46.5
137.09637	5.5
137.13283	9.0
142.07806	4.6
143.08557	12.8
145.10121	24.6
147.11690	31.3
149.09634	4.1
149.13251	14.9
151.14862	4.5
156.09267	3.3
157.10150	18.6
159.11699	23.6
161.09622	7.1
161.13255	12.5
163.14816	8.6
169.10182	6.0
171.11746	19.4
173.13194	17.3
175.11211	5.9
175.14799	29.6
177.16426	7.9
183.11693	3.8
185.13260	25.2
187.14836	16.4
189.16360	39.5
191.17941	6.5
195.17601	3.8
197.13240	5.8
199.14859	10.1
201.16389	6.0
203.14352	4.4
203.17943	3.0
205.15829	3.9
205.19537	23.9
211.14865	6.9
212.86946	3.2
213.16388	7.9
215.17973	3.2
217.15857	12.0
217.19458	4.9
227.17883	13.7
229.19592	6.5
241.19543	12.0
253.19547	4.9
255.21043	10.4
267.21030	5.1
269.22736	13.2
277.17960	5.2
295.24066	3.0
301.21609	11.3
301.24872	3.2
369.79962	2.8
405.35165	21.7
423.36191	100.0
465.37311	77.3
483.38364	84.9
500.41019	5.4
779.71985	3.7
805.71417	3.2
952.05060	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	1024.46
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04462	3.7
93.06988	0.3
106.86543	0.2
129.05476	4.5
133.97089	0.2
155.07019	100.0
156.07376	0.2
173.08101	3.6
215.09132	21.7
233.10159	0.4
241.10703	14.0
259.11746	6.0
301.12802	14.0
319.13873	2.0
327.14346	5.5
345.15433	5.8
387.16406	4.5
405.17426	1.3
413.17963	1.7
431.19125	3.1
473.20255	1.7
491.21155	0.3
517.22687	1.1
528.25189	0.3
559.23450	0.5
588.36951	0.2
603.25916	0.3
1023.53937	0.3
1024.52930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.8
51.02376	1.6
53.03944	7.2
55.45006	0.6
56.96579	1.4
57.31927	0.7
58.06599	3.5
60.04500	0.6
60.08166	27.4
60.95852	2.9
67.51089	0.8
68.05040	0.7
68.62119	0.7
69.03431	14.3
69.59705	0.7
70.35579	1.4
76.54848	0.7
77.03935	6.7
86.06066	10.2
86.09681	0.9
87.04472	38.2
95.04969	36.6
96.05309	0.9
102.04681	4.5
102.96901	1.1
103.05471	100.0
103.09487	1.1
104.05821	3.2
104.07116	1.0
104.10744	91.2
105.04519	18.2
120.97893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.6027
Annotation	Unknow
Peak:m/z	Relative Intensity
72.63690	0.3
78.41907	0.3
91.95973	0.3
94.99233	0.3
98.23394	0.7
107.36137	0.3
116.72575	0.3
141.96249	0.3
159.31854	0.3
162.31897	0.3
174.60524	0.3
182.22040	0.3
197.70442	0.3
222.55455	0.3
351.58261	0.3
736.43134	0.3
1037.60278	100.0
1038.60107	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	1038.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
77.32110	0.5
87.04457	3.5
101.06028	2.5
106.54791	0.6
129.05487	4.5
138.70419	0.5
155.07025	100.0
164.86357	0.6
173.08127	1.7
187.09625	1.3
194.54047	0.6
215.09149	19.6
241.10704	12.7
259.11743	2.8
273.13260	1.6
301.09546	1.1
301.12811	12.7
319.13806	2.0
327.14420	4.5
345.15424	3.6
387.16614	4.3
405.17477	0.6
431.19666	0.6
473.19965	0.7
664.42108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	3.0
59.07387	0.7
60.08163	34.0
61.08494	0.4
69.03452	0.2
71.27287	0.2
77.73215	0.2
87.04449	0.8
104.10741	100.0
105.11065	1.8
105.34553	0.2
109.56554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89173	0.2
58.06601	3.6
59.07378	0.9
60.08164	36.8
61.08493	0.2
63.08423	0.2
67.91524	0.2
69.03431	1.2
69.70942	0.2
70.36292	0.2
70.36604	0.4
86.06069	0.5
87.04469	2.7
88.34759	0.2
90.44779	0.2
97.17818	0.2
104.10744	100.0
105.11057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
72.07780	2.9
72.08154	33.2
79.05515	1.7
82.06591	2.3
83.27084	1.4
85.04029	5.5
86.09705	29.3
87.05593	10.2
88.03975	2.2
91.05479	19.1
95.04967	2.1
96.08134	1.4
97.07652	4.3
98.23552	2.5
103.05480	4.4
105.03410	2.1
106.06548	4.4
107.04945	16.0
113.10800	2.0
114.09160	24.3
115.08707	11.2
117.05750	2.5
118.06538	31.1
119.04939	10.4
119.07333	2.4
120.08092	18.6
122.06020	13.2
123.04449	4.4
125.07113	6.9
130.06540	3.0
130.98523	1.6
131.04918	2.2
132.04512	2.6
132.08049	2.4
134.06007	28.9
134.06937	2.8
135.04425	3.0
135.06741	2.3
136.07596	17.7
137.07088	9.5
139.08607	3.4
141.10242	6.0
142.08623	8.9
146.06003	64.7
148.07556	4.2
152.07111	2.4
153.08954	6.1
155.08148	2.3
157.09714	23.9
160.03850	3.0
162.05486	29.2
164.07085	3.3
164.53471	1.5
165.05472	5.1
167.08221	6.3
169.09770	4.2
172.07559	1.9
172.11211	14.2
173.05792	1.7
174.05508	11.5
174.12811	6.5
179.08525	2.1
182.08141	2.5
183.08008	1.8
185.09212	9.6
187.12329	9.4
188.07085	5.0
189.06580	3.5
190.12108	2.2
191.08261	2.6
198.05528	4.9
198.09180	2.6
202.12115	5.2
203.15459	2.2
204.13788	3.1
207.07985	9.3
211.07530	1.9
211.10753	14.2
215.11824	6.9
216.06523	11.0
216.12569	2.8
217.06062	1.8
217.13338	19.7
222.09070	3.9
223.07457	2.0
224.10533	3.7
225.10081	1.6
229.11725	2.4
230.11703	18.5
231.14818	8.5
234.09082	7.6
236.10724	1.6
237.08687	5.3
238.15645	1.9
240.10172	3.2
243.11290	28.2
245.13017	2.2
246.09251	2.3
247.14410	3.6
249.08733	3.7
249.15932	3.7
250.08722	2.6
250.11812	2.0
252.10316	2.2
258.11441	3.4
259.07248	8.9
259.14401	37.0
261.08652	3.0
262.06915	4.1
262.08990	4.1
266.12863	2.0
273.12537	2.0
275.13849	19.1
276.09863	13.6
278.11499	1.5
279.09848	5.0
280.16574	5.1
282.12317	2.0
286.10794	3.3
286.15439	11.0
294.12283	5.7
296.09369	2.9
296.12344	13.6
298.17685	1.8
300.13535	5.6
301.11743	4.1
304.16669	7.8
305.07739	2.7
308.16037	15.4
312.13553	7.4
322.10239	4.4
326.17065	3.9
328.20065	4.8
330.14474	71.3
335.10489	1.8
356.19656	11.0
363.17075	1.9
375.17145	4.0
389.18146	6.1
400.15103	4.8
403.16684	2.0
415.16208	3.3
415.23141	1.7
420.19016	2.3
443.22864	4.2
448.18573	5.1
453.21130	1.9
457.17294	8.3
471.22504	9.7
489.24979	6.6
491.26587	5.9
517.24524	16.0
553.22473	2.8
556.30835	4.2
563.21674	1.7
570.25604	18.0
578.29633	5.7
579.20831	1.8
584.30756	8.3
596.22961	2.7
604.27423	12.9
631.28082	2.4
632.26746	2.8
672.25586	1.9
715.30823	11.1
717.35028	1.8
727.34387	2.3
743.30322	17.6
745.34393	3.5
767.33575	2.7
784.37457	3.3
786.29852	3.5
795.33405	7.0
812.36041	100.0
882.36169	2.8
899.39301	75.1
1022.44354	4.9
1040.45850	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02381	1.0
51.17719	0.3
53.03946	3.8
58.52279	0.4
59.85138	0.4
60.04543	0.8
60.08160	0.9
61.08494	2.3
62.00628	0.3
69.34153	0.4
69.64982	1.0
70.03770	0.5
77.03930	3.0
79.05492	39.8
80.05819	0.7
81.03422	0.4
87.00838	0.6
94.92227	0.4
95.04966	16.2
98.23374	0.5
103.05466	28.7
104.05789	0.8
105.04530	8.7
105.07027	100.0
105.10437	0.6
105.11060	9.9
106.06653	0.7
106.07355	2.6
106.08011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.6999
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04466	44.0
89.06030	100.0
91.05481	2.3
92.78186	1.1
93.96350	1.2
95.04951	1.2
105.07001	1.2
107.07099	2.2
113.05980	3.1
117.09103	2.5
121.06509	2.8
130.08650	2.7
131.04886	1.2
131.07042	15.8
133.08603	78.8
147.08046	4.3
149.09564	1.7
157.08652	1.8
173.09560	1.8
175.09691	12.6
175.11118	1.9
177.11205	30.5
191.10451	1.2
201.11217	1.4
209.27307	1.0
219.12285	7.7
221.13820	7.1
229.56212	1.4
259.20511	3.3
265.16315	1.6
277.21500	1.2
283.17389	2.2
303.23151	2.0
309.18982	1.4
338.87677	1.0
343.20908	1.8
381.06458	1.1
384.59259	1.0
478.78568	1.1
629.41266	1.2
746.44513	1.2
933.87573	1.3
968.93640	1.3
1060.68982	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	1060.6995
Annotation	Unknow
Peak:m/z	Relative Intensity
78.42482	1.4
87.04463	39.7
89.06029	100.0
91.05484	9.4
93.07037	4.6
95.04971	2.6
103.05450	2.7
105.07034	2.6
107.07043	1.8
107.08604	2.9
113.06002	2.1
115.07537	1.4
117.07012	2.2
117.09119	3.8
118.07809	5.6
119.04934	1.7
119.08588	5.4
121.06517	15.7
130.08629	3.6
131.07030	18.7
132.89783	1.6
133.08606	66.5
135.08012	3.5
135.11649	2.5
145.22388	1.5
147.08084	10.0
149.09567	4.1
150.06741	3.3
161.11740	2.3
163.11128	1.7
165.09145	6.3
167.10707	1.8
175.09648	13.2
177.11235	26.1
177.12729	2.8
191.10641	2.8
193.12225	2.5
209.11723	2.1
211.13315	2.6
219.12317	4.5
221.13879	4.8
233.18964	18.1
235.13448	1.8
239.14821	1.6
255.15936	1.7
259.20657	4.3
275.23648	2.2
277.21643	27.8
279.15704	2.3
283.17520	2.9
303.23270	3.7
317.46768	1.7
319.22623	2.4
321.24213	6.7
353.21878	2.2
485.29001	1.9
770.68408	1.5
809.79828	2.0
1028.21606	2.0
1043.65747	5.5
1060.69727	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	1061.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04475	5.1
75.49841	0.2
77.03910	0.3
79.05492	2.7
81.03410	3.2
81.07056	6.3
83.04976	22.3
83.08611	1.0
85.02899	100.0
86.06046	0.3
87.04465	3.2
91.03946	0.8
91.05462	2.3
93.07040	6.1
95.04954	1.8
95.08599	9.5
97.02886	33.6
97.06507	0.7
97.10163	1.3
99.04462	2.9
101.02373	0.4
101.06010	1.0
103.03918	2.1
105.04462	0.3
105.07023	5.8
107.04954	0.9
107.08585	7.8
109.02884	3.5
109.06523	1.0
109.10150	7.7
109.30038	0.3
111.04433	19.6
111.08085	0.8
111.11744	0.5
113.02341	1.2
113.05988	0.7
115.03925	19.9
115.50179	0.2
117.07005	0.9
119.08573	5.3
121.06519	0.5
121.09261	0.5
121.10132	7.4
123.04390	0.4
123.08060	0.4
123.11705	4.4
125.05953	0.6
127.03902	12.1
129.05470	40.5
131.08553	2.6
133.03944	0.5
133.04961	10.2
133.10127	4.3
135.04402	0.7
135.08020	0.3
135.11684	6.1
137.02313	0.3
137.05919	0.6
137.13266	1.4
139.03888	3.9
141.05469	0.8
143.03378	0.7
143.08566	0.6
145.04950	10.5
145.10127	4.3
147.06511	22.7
147.11670	3.6
149.04454	0.4
149.05936	0.3
149.13242	8.1
151.03854	1.1
151.07471	0.4
153.05429	1.2
157.04942	1.4
157.10092	0.7
159.11678	4.1
161.13229	3.0
163.06038	3.9
163.14819	2.2
165.05397	0.8
165.07562	1.9
169.04973	2.9
171.06535	2.1
171.11670	0.7
173.13261	3.1
175.06047	0.4
175.14792	4.3
176.41524	0.3
177.05484	0.3
177.16414	1.9
179.07033	0.8
179.14272	0.8
181.04932	0.8
183.06471	0.7
187.05949	1.0
187.14807	4.4
188.09169	0.4
189.16371	4.6
191.14317	0.3
191.17950	4.4
193.04939	0.4
193.15829	1.2
195.06548	1.3
199.06004	1.2
199.14865	0.6
201.16370	4.1
203.17946	4.1
205.15862	5.0
205.19501	3.5
207.06454	1.2
207.17461	1.5
211.06097	0.3
213.07549	1.2
213.16380	1.1
215.17934	5.8
217.07037	0.7
217.16031	0.4
217.19505	2.0
219.17433	0.7
219.21120	0.5
223.06055	2.2
223.16928	0.5
225.07562	12.3
227.17831	0.6
229.19553	1.6
231.08658	1.1
231.17409	0.8
231.21033	1.2
233.18970	7.5
237.07576	2.2
237.16074	0.4
241.07066	2.3
241.19414	0.5
243.08629	12.8
243.21037	0.7
245.22633	0.3
247.20595	0.5
249.18500	4.2
255.08594	4.2
255.21066	1.2
257.22586	0.8
259.08090	7.5
261.07135	0.4
261.09698	6.1
269.22641	0.6
273.09692	8.6
273.22153	0.4
277.09082	1.2
279.10730	33.9
281.22421	0.4
291.10587	1.2
295.10208	7.4
309.11771	15.6
325.11166	0.9
369.11633	0.4
387.12582	1.0
393.35049	1.0
405.14120	1.4
405.35071	4.2
407.36691	0.5
411.36008	0.7
423.14963	0.4
423.36185	16.6
425.37604	0.7
441.15881	1.1
441.37253	22.4
473.26471	0.3
551.40265	0.4
555.39929	0.6
569.41907	0.5
573.41608	0.4
575.34802	0.3
797.49908	0.3
906.97736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	2.4
81.03416	5.1
81.07053	5.2
83.04990	1.5
83.08620	1.3
85.02901	69.1
87.04472	4.8
89.68311	0.4
90.80229	0.3
91.03961	2.9
91.05464	1.7
93.07047	4.7
93.87575	0.3
95.04959	1.3
95.08601	8.6
95.14671	0.3
97.02888	100.0
97.06519	0.8
97.10155	0.9
99.04444	3.7
101.02380	0.7
103.03923	2.9
105.04527	0.5
105.07032	3.5
107.04982	1.0
107.08585	6.6
109.02882	7.0
109.06507	1.0
109.10153	8.9
111.04422	1.3
111.08090	0.5
111.11711	0.7
112.47044	0.4
113.02357	0.6
115.03926	51.0
119.08583	3.6
121.06522	1.0
121.10144	6.3
123.04418	0.7
123.11704	4.8
123.95388	0.4
125.02341	0.7
127.03911	24.7
129.05458	0.7
131.08546	0.8
133.04962	30.8
133.10075	2.4
135.04477	0.4
135.08025	0.9
135.11699	6.5
136.37346	0.4
137.13226	0.8
139.03882	1.9
143.03461	0.8
143.08571	0.9
145.04953	32.1
145.10120	1.4
147.08060	1.0
147.11713	2.2
149.05902	0.6
149.09584	0.9
149.13264	5.6
153.05547	0.7
157.04962	2.1
157.10124	1.4
159.11688	1.7
161.09631	0.7
161.13251	2.3
163.06012	12.2
163.11176	0.5
163.14841	1.8
165.05495	0.4
168.27136	0.4
169.04996	1.4
171.11700	0.7
173.13173	0.8
175.11296	0.4
175.14804	2.2
177.16386	0.4
179.14235	1.8
181.04961	1.2
184.12480	0.5
185.13226	0.5
187.14757	1.7
189.12776	0.5
189.16399	2.0
191.14323	0.8
191.17944	7.2
193.04935	2.2
193.15790	0.5
195.06523	0.6
199.06030	2.6
199.14809	1.3
201.16417	2.4
203.14359	1.6
203.17953	2.3
205.15956	1.7
205.19516	4.9
206.45078	0.4
211.06009	10.3
213.16399	1.0
215.17877	0.6
217.07040	3.7
217.15839	3.2
217.19484	1.0
219.17496	0.8
221.15323	0.5
223.06007	9.0
227.17999	0.6
229.07071	11.8
229.15904	0.6
231.17409	2.8
231.21086	0.5
233.18855	0.5
235.16905	6.1
241.07065	11.8
243.21133	0.5
247.08195	4.6
247.16917	8.1
249.18544	2.9
259.08127	38.0
265.09167	17.7
271.45377	0.4
277.09171	7.2
279.10825	0.6
289.09161	1.0
295.10226	69.9
325.11276	8.9
343.48334	0.4
352.08087	0.5
373.11270	1.1
391.12289	2.0
403.33469	0.8
409.34442	0.9
421.34607	3.2
427.14554	2.1
427.35809	1.3
429.20062	0.4
439.35703	49.7
440.36142	0.5
457.15451	1.4
457.36740	18.9
616.78644	0.5
861.86420	0.4
1002.21661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.6004
Annotation	Unknow
Peak:m/z	Relative Intensity
76.63515	0.8
79.05495	4.3
81.03413	6.7
81.07055	11.0
83.04984	1.4
83.08611	1.6
85.02903	65.0
87.04469	3.6
91.03951	3.3
91.05481	3.7
93.07047	9.7
95.04968	1.5
95.08605	20.0
97.02891	100.0
97.10141	2.1
99.04465	4.2
103.03956	3.4
105.07037	8.3
107.08588	13.6
109.02878	6.6
109.10167	15.6
111.04450	1.0
111.08138	1.1
111.11784	1.0
115.03928	47.3
117.07018	1.1
119.08572	8.0
121.10136	14.8
123.11700	7.8
127.03915	22.7
131.08577	2.7
133.04964	31.1
133.10114	5.7
135.11691	11.0
137.13254	3.9
139.03903	2.6
145.04958	30.7
145.10117	4.4
147.11674	4.1
149.13257	14.1
151.03882	0.9
157.04932	1.7
157.10097	0.9
159.11636	4.1
161.13245	4.4
163.05994	12.3
163.11127	0.9
163.14830	3.9
169.04938	1.4
171.11766	1.2
173.13298	4.7
175.14839	7.8
177.16405	3.2
179.14322	1.6
181.04961	1.7
187.14790	4.7
189.16389	6.6
191.14287	1.2
191.17912	6.0
193.04993	2.6
193.15903	2.7
199.05960	1.7
201.16296	5.5
203.17934	6.0
205.15886	7.0
205.19528	7.3
207.17378	1.8
211.06018	11.6
211.14815	0.9
213.16223	2.0
215.17958	8.7
217.07077	5.1
217.15897	1.5
217.19493	2.5
219.17477	1.8
221.19218	1.2
223.06032	8.9
227.17943	1.7
229.07065	14.4
229.19489	3.0
231.17418	2.1
231.21173	4.4
233.18980	14.1
241.07057	11.9
241.19499	1.3
243.21071	1.3
245.22643	1.6
247.08141	3.3
247.20586	1.0
249.18510	14.0
259.08130	38.4
265.09143	20.7
277.09229	5.9
281.22736	1.0
295.10236	81.0
325.11298	11.6
355.10104	0.8
373.11002	1.1
391.12442	1.6
393.34900	2.3
405.35208	8.7
411.36356	1.6
423.36215	32.0
425.37552	1.1
427.14362	3.3
441.37283	65.1
457.15485	1.8
621.17279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.6006
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	0.4
79.05487	2.9
81.02953	0.4
81.03416	7.1
81.03890	0.4
81.07051	9.5
83.01334	0.7
83.04981	1.4
83.08608	1.9
84.62298	0.2
85.02898	70.0
87.03959	0.3
87.04470	4.3
91.03955	2.3
91.05473	3.9
93.07040	6.0
95.04970	1.6
95.08601	15.6
97.02885	100.0
97.10147	1.5
98.03185	0.3
99.04450	4.2
101.02373	1.0
103.03931	3.1
103.05421	0.3
105.04514	0.5
105.07024	10.1
107.04932	0.6
107.08581	10.0
109.02869	7.2
109.06518	0.6
109.10151	10.4
111.04440	1.0
111.08090	0.5
111.11695	0.6
113.02354	0.5
114.05518	0.3
115.03922	47.4
117.05533	0.2
117.07012	1.8
119.04997	0.2
119.08566	10.5
121.02880	0.4
121.06522	0.7
121.10143	7.6
123.04427	0.7
123.08097	0.4
123.11698	4.6
125.02338	0.6
127.03907	24.7
129.06947	0.5
130.07761	0.4
131.08556	4.7
131.09460	0.4
133.04956	28.0
133.10115	7.2
135.04420	0.7
135.08069	0.3
135.11685	6.6
137.02304	0.3
137.05954	0.6
137.13229	3.5
139.03873	1.3
140.82945	0.2
142.07817	0.4
143.03377	1.2
143.08551	1.6
145.04948	29.5
145.10106	6.8
147.04391	0.4
147.08113	0.3
147.11673	4.8
149.04536	0.4
149.09607	0.4
149.13248	5.6
151.03917	0.8
151.11171	0.5
151.14812	0.6
153.05440	0.6
157.04951	2.3
157.10126	2.2
158.10933	0.4
159.11682	6.5
160.12538	0.3
161.09589	0.3
161.13243	5.9
163.03867	0.8
163.06004	11.6
163.11230	0.3
163.14813	3.9
165.05475	0.4
165.12802	0.4
169.04892	1.2
169.10106	0.6
171.11707	1.6
173.13232	4.8
175.06078	0.4
175.14815	6.0
177.12775	0.5
177.16373	3.4
179.14301	2.1
181.04938	1.6
183.11678	0.7
185.13232	0.9
187.06073	0.7
187.14795	6.8
189.16373	7.5
191.14319	0.8
191.17923	6.7
193.04947	2.8
193.15860	2.5
195.06595	0.4
197.13277	0.3
199.05983	2.1
199.14810	1.6
201.16376	5.3
203.14363	0.6
203.17937	7.2
204.08655	0.2
205.06824	0.3
205.15862	8.8
205.19484	2.9
207.17438	3.6
211.05988	9.7
211.14786	0.6
213.16376	2.7
215.17932	11.5
217.07059	3.2
217.15955	2.5
217.19455	3.9
219.17497	1.3
219.21004	1.2
221.18921	1.1
223.05998	7.4
225.16408	0.5
227.18034	1.6
229.07050	11.9
229.15982	0.3
229.19524	2.8
231.17372	1.1
231.21059	1.1
233.18982	8.5
235.16891	1.0
239.17833	0.4
241.07048	10.2
241.19467	1.8
243.17404	0.4
243.21126	1.8
245.19063	0.7
245.22636	0.9
247.08130	4.0
247.20564	1.2
249.18506	0.4
255.21057	2.1
257.22647	0.6
259.08105	29.8
260.08472	0.3
261.22131	0.5
265.09158	16.0
267.21100	0.4
269.22592	1.2
271.20486	0.4
271.24115	0.4
273.22305	1.1
277.09146	5.9
281.22662	0.7
283.24146	0.3
285.22183	0.8
287.23615	0.5
289.09238	0.7
295.10214	57.3
309.25711	0.3
325.11295	7.8
355.09836	0.4
367.33432	0.3
373.11322	0.6
391.12256	1.7
393.35165	1.0
395.36807	0.5
405.35138	9.3
407.36707	0.9
409.13345	0.3
411.36221	0.9
421.13541	0.4
421.34482	0.3
423.36179	40.8
424.36514	0.6
425.37509	1.5
427.14612	1.6
441.37250	36.1
442.37369	0.7
457.15402	1.0
537.39307	0.9
555.40222	2.2
573.41425	2.3
603.42786	0.3
717.45093	0.6
735.46423	0.4
945.80457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	0.7
79.01885	0.3
79.05495	0.4
80.87331	0.3
81.03416	5.4
83.04969	0.9
85.02914	0.8
89.03952	0.4
91.05483	1.0
93.03402	0.7
95.04395	0.3
95.04961	1.8
97.02891	0.5
97.67616	0.3
99.04448	0.9
103.05408	0.5
105.03381	2.5
105.07027	0.7
107.01344	0.5
107.04948	0.6
109.02176	0.6
109.02882	8.0
111.00806	8.5
111.04469	1.8
115.05464	1.0
119.04928	1.1
121.02890	2.5
123.04430	15.5
125.02335	0.8
127.03912	63.5
128.04248	0.4
129.07001	0.6
131.04929	1.2
133.02834	5.4
133.06447	0.4
135.04417	2.5
137.02348	0.5
139.03896	100.0
140.04269	0.9
141.07004	0.5
143.03368	0.6
143.04898	0.7
145.02829	0.7
145.06490	0.5
147.04402	7.5
148.96207	0.3
149.02350	3.3
149.05989	1.1
150.03145	0.8
151.03902	51.9
153.01820	10.8
153.02922	0.7
153.05467	1.1
155.03386	10.6
155.04689	0.4
157.02881	0.9
157.06477	1.7
159.04390	1.9
161.02350	1.5
161.05983	2.0
163.03896	11.1
165.01845	0.7
165.05504	1.6
167.03394	2.5
169.04927	1.0
169.06445	0.8
171.04427	3.1
173.02348	0.5
173.05984	1.9
175.03896	12.1
176.04819	0.4
177.01862	1.0
177.05472	7.1
179.03386	51.4
181.04971	2.3
181.06364	0.5
183.04407	1.0
185.02383	0.7
185.05980	2.7
187.03893	2.2
189.05484	5.0
191.03395	6.6
193.04976	3.3
197.05913	1.6
199.02095	0.7
199.03880	6.7
200.04703	0.5
201.05446	4.5
203.03386	20.0
205.01271	0.7
205.04945	4.8
207.06377	0.4
209.06424	0.4
211.03860	0.6
212.04797	0.4
213.05458	8.1
215.03404	1.6
215.06955	0.5
217.04919	6.4
219.02869	1.3
219.06502	2.1
221.04428	1.1
223.02277	2.8
225.05464	1.4
227.03406	2.7
227.06889	0.5
229.04979	5.9
231.02921	0.8
231.06519	3.2
233.04431	2.7
235.05989	0.4
237.05472	1.2
239.03281	0.5
241.04918	5.8
243.02798	0.5
243.06549	0.9
245.04451	36.3
246.04799	0.3
247.02330	0.8
247.05939	1.3
251.05505	0.7
253.04968	2.5
255.06526	0.8
257.04434	16.2
258.05127	0.7
259.06027	4.5
261.03882	0.4
263.05490	32.5
264.05954	0.6
265.04947	1.3
267.06537	0.6
269.04440	7.5
270.05322	0.5
271.06000	5.3
273.03958	1.2
275.05460	8.8
277.07111	4.2
279.06610	0.8
281.04419	2.8
282.05325	0.4
283.05960	1.5
285.03955	1.7
287.05481	61.5
288.05661	0.6
289.07043	11.0
293.04379	0.9
295.06073	1.7
297.03903	1.9
297.07297	0.6
299.05478	23.6
300.05984	0.6
301.06851	1.6
303.05176	0.6
305.06552	26.8
306.81281	0.4
307.08505	0.6
308.06610	0.3
309.04010	0.7
311.05472	4.7
313.07108	0.7
315.05066	1.1
317.06549	18.9
321.03854	1.0
321.07596	1.6
323.05566	2.1
325.06818	0.4
327.04971	0.9
329.06375	2.6
331.05786	0.6
333.07324	0.5
335.05411	0.6
337.07254	0.7
339.04938	1.1
339.08575	0.5
347.07593	1.2
349.07190	1.7
351.05017	1.0
357.06137	0.6
361.07004	1.7
363.04984	0.7
365.06677	0.8
377.06461	1.0
381.05991	0.9
389.06467	1.2
393.06125	1.9
395.07593	2.5
399.06772	0.9
400.90469	0.4
401.06592	0.4
405.06021	4.9
407.07596	6.8
411.07187	0.5
413.08667	0.7
417.05792	1.4
419.07660	1.1
423.01349	0.6
423.07047	10.1
425.08649	24.5
435.07019	2.2
437.08890	2.6
441.08136	9.9
441.12848	0.2
441.14346	0.4
443.09750	11.0
447.07169	2.3
449.08612	2.4
449.14029	0.4
453.08157	2.7
455.09293	1.1
459.09268	6.1
465.08145	7.5
467.09836	3.1
483.09247	3.4
485.10657	0.4
525.08118	0.6
543.09406	1.6
549.10107	1.1
561.10175	1.6
567.11420	1.8
573.10284	1.8
575.11639	0.9
577.09509	1.1
585.09949	1.3
591.11340	1.8
593.12994	0.5
595.10724	6.2
603.02338	0.4
603.10834	2.2
609.11981	1.6
619.10522	0.6
637.11395	0.6
693.12183	0.7
711.13013	1.3
729.13708	1.3
743.37372	0.4
763.14197	0.6
773.12451	0.4
881.14661	1.0
899.15674	1.2
1059.92273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03916	1.0
79.01838	1.0
81.03410	7.3
83.04965	0.8
91.05467	1.5
93.03386	0.8
95.04964	3.1
97.02863	1.0
99.04449	1.3
100.47080	0.5
105.03394	3.0
105.07015	0.8
107.01283	0.5
107.04965	1.0
109.02873	12.2
111.00799	11.7
111.04423	2.0
115.05437	1.2
117.06997	0.6
119.04947	1.3
121.02885	2.7
123.04429	22.9
125.02348	1.1
127.03912	75.3
129.07010	0.5
131.04918	1.9
133.02843	8.9
133.06445	1.0
135.04405	3.0
137.02345	1.0
139.03893	100.0
140.04195	0.6
141.06953	0.7
143.03426	1.0
143.04869	0.8
145.06480	1.3
147.04401	8.9
149.02342	5.6
149.05965	1.6
150.03119	1.6
151.03897	70.6
153.01828	11.3
153.03009	0.7
153.05455	1.2
155.03384	21.1
155.04677	0.9
157.02892	0.6
157.06520	1.9
159.04381	2.4
161.02327	1.7
161.05986	2.0
162.03087	0.6
163.03893	10.1
165.05460	2.4
167.03416	2.8
169.04961	0.8
169.06483	0.7
171.04391	5.0
173.02386	0.9
173.05942	2.1
175.03909	15.1
177.01837	1.7
177.05473	7.4
179.03386	64.6
181.05022	2.9
181.06487	0.9
183.04442	1.0
185.04556	0.6
185.05956	3.1
187.03853	1.9
189.05409	5.9
191.03378	6.3
191.06989	0.5
193.04945	3.1
197.05975	1.6
199.03896	8.6
200.04674	0.8
201.05444	5.6
203.03380	24.8
205.01245	0.5
205.04944	5.5
211.03831	0.8
213.05449	9.7
215.03375	1.8
217.04967	9.0
219.02924	0.9
219.06548	1.6
221.04315	1.1
223.02287	2.6
225.05435	1.2
227.03487	2.9
229.04962	7.2
230.05667	1.0
231.02937	0.9
231.06465	4.8
233.02438	0.6
233.04398	2.9
235.06003	1.6
241.04965	6.8
243.02840	0.6
243.06538	1.3
245.04457	46.1
247.06000	2.7
251.03377	0.7
253.04974	1.7
255.02972	0.9
255.06511	0.9
257.04419	18.7
258.05139	1.2
259.06003	6.9
263.05493	57.8
265.04938	0.9
267.06482	0.6
269.04416	9.5
270.05182	0.9
271.06000	5.7
273.03973	1.6
275.05472	13.8
277.07077	10.9
279.06561	1.3
281.04578	2.9
283.06018	1.8
285.04016	2.0
287.05478	86.1
288.05847	1.0
289.07074	6.2
293.04343	1.1
295.05933	2.1
297.03967	3.9
299.05466	16.0
301.07065	2.0
303.05084	1.0
305.06552	68.8
307.05692	1.3
309.03857	2.2
311.05487	2.4
313.07108	1.0
315.05173	0.8
317.06528	22.6
319.05942	1.1
321.03885	1.5
321.07559	1.8
323.05597	3.5
327.04547	0.6
329.06537	2.0
333.07654	1.1
335.05380	0.8
337.07080	1.7
339.04938	1.8
341.06635	0.7
347.08084	0.6
349.07129	1.7
351.05081	3.2
361.07092	1.1
363.04880	1.4
365.06320	0.9
373.07065	0.6
375.04910	0.8
377.06244	1.2
381.05933	1.5
387.04959	0.8
389.06546	1.9
393.05933	4.5
395.07623	3.3
399.07162	2.6
405.06042	7.0
407.07477	6.9
411.06912	1.9
413.08798	4.9
417.06018	1.7
419.07501	1.1
423.07108	9.2
425.08673	17.9
425.14542	0.9
435.07083	3.5
437.08820	2.2
441.08173	11.2
443.09726	19.5
447.07166	1.7
449.08493	1.7
453.08041	2.2
455.09583	2.0
459.09305	3.4
465.08188	3.9
467.09656	3.0
483.08966	1.1
525.07733	1.3
543.09491	3.5
549.10242	6.6
555.09204	0.9
561.10443	2.4
567.11353	3.4
573.10297	2.5
577.09308	1.9
579.11249	1.0
585.10016	1.8
591.11206	1.5
593.12573	1.3
595.10815	5.6
603.11322	2.8
609.12390	1.1
675.49170	0.5
693.12030	1.5
711.12860	3.7
713.11029	2.0
729.13782	2.0
735.37982	0.6
763.13843	0.9
773.13251	1.7
838.57458	0.5
881.15796	5.2
892.93414	0.6
899.16791	5.0
959.73816	0.6
962.75189	0.6
1062.31384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03930	0.7
79.01849	1.6
79.05482	0.5
81.03413	4.1
83.04974	1.3
85.02894	0.7
89.03912	0.5
91.05475	1.1
93.03406	0.4
93.96307	0.3
95.04977	2.2
95.41075	0.3
97.02908	0.5
98.22737	0.6
99.04453	0.8
103.05481	0.4
105.03397	2.3
105.07008	0.4
107.01293	0.5
107.04935	0.7
108.21339	0.3
109.02877	6.4
111.00797	10.4
111.04433	1.5
115.05479	1.1
117.07034	0.4
119.04950	1.3
121.02876	2.8
123.04426	15.7
125.02345	1.3
127.03909	66.7
129.07002	0.7
131.04944	1.7
133.02844	5.4
133.06483	0.4
135.04393	2.0
137.02301	0.9
137.05984	0.6
139.03893	100.0
140.04185	0.5
141.06990	0.8
143.03403	1.1
145.02837	0.7
145.06500	1.2
147.04399	8.7
149.02332	4.1
149.06004	1.0
150.03131	0.4
151.03897	46.1
153.01822	15.8
153.02916	1.1
153.05463	1.3
155.03387	5.5
155.04739	0.6
157.02835	0.7
157.06488	1.5
159.04404	2.2
161.02344	1.7
161.05939	2.1
163.03905	10.5
165.01926	0.6
165.05473	1.9
167.03427	2.2
167.04745	0.6
169.04948	1.7
169.06345	0.6
171.04395	4.5
173.02356	0.4
173.05931	2.5
175.03900	12.3
177.01909	0.9
177.05458	9.6
179.03380	51.8
181.04961	2.9
181.06412	0.6
183.04384	1.2
185.05966	2.2
187.03902	1.7
189.05447	6.3
191.03384	6.6
193.04950	3.6
197.06009	1.5
199.03897	9.2
200.04619	0.5
201.05481	5.3
203.03380	22.3
204.03807	0.6
205.01370	0.5
205.04932	4.8
209.06133	0.4
211.03923	0.8
213.05476	8.0
213.07428	0.3
215.03333	1.7
215.06932	0.7
217.04955	9.9
219.02919	1.1
219.06461	2.5
221.04414	1.0
223.02277	3.6
225.05420	2.1
227.03345	3.4
229.04913	5.5
230.05673	0.4
231.02847	0.9
231.06467	3.5
231.08395	0.4
233.04437	3.7
235.02386	0.5
235.05838	0.4
237.05501	1.0
239.03426	0.6
241.04938	5.7
243.02821	0.5
243.06535	0.9
244.03482	0.4
245.04443	67.0
246.04826	0.4
247.02382	0.7
247.05995	1.2
251.05531	0.7
253.04996	2.0
255.02798	0.5
255.06618	0.8
257.04431	14.3
258.05066	1.1
259.05975	4.8
261.03958	0.4
263.05487	43.0
265.05087	0.6
267.06476	0.4
269.04431	8.0
270.05148	0.5
271.05981	4.8
273.03937	0.8
274.04669	0.6
275.05453	13.7
277.07117	2.5
279.06351	0.6
281.04480	3.0
283.06039	1.2
285.03836	1.6
287.05481	85.4
288.05917	0.8
289.03937	0.7
289.07053	11.6
293.04495	0.7
293.07889	0.5
295.06076	2.0
297.03900	1.3
297.07343	0.7
299.05484	21.9
301.07016	1.5
303.05655	0.7
305.06537	22.9
307.05359	0.6
307.08130	1.3
309.03891	1.2
309.07285	0.4
311.05496	3.4
313.07040	0.8
317.06525	21.6
319.05847	0.6
321.04129	0.5
321.07578	1.6
323.05411	2.1
325.07037	0.6
327.05048	0.4
329.06531	1.7
331.04776	0.7
332.06674	0.4
333.07666	0.7
335.05396	0.7
337.07111	0.8
339.04971	1.4
347.07852	0.8
349.07010	1.6
351.05008	1.7
359.05231	0.7
361.07010	0.9
363.04849	1.0
365.06696	0.7
367.08090	0.4
375.04852	0.4
377.06558	1.4
381.06137	1.3
389.06720	1.9
393.06079	2.1
395.07755	2.1
399.07263	0.9
405.06000	5.0
407.07599	6.7
411.07019	1.5
413.08673	5.8
417.05865	1.7
419.07422	0.6
423.02353	0.4
423.07050	15.0
425.08649	26.0
429.05942	0.5
431.07718	0.6
435.06921	3.1
437.08679	2.0
441.08151	7.1
443.09698	13.3
447.07031	1.7
449.08850	1.7
453.07968	2.2
455.09512	1.0
459.09213	7.6
465.08191	3.7
467.09796	2.9
483.09030	0.9
525.07532	0.4
543.09369	1.6
549.10236	3.2
555.08704	0.5
561.09827	1.5
567.11066	1.9
573.10278	2.2
575.11450	0.9
577.09357	1.3
585.10242	1.8
591.10870	1.0
593.12842	0.7
595.10712	7.2
603.10944	1.5
609.12061	0.8
611.12256	0.4
637.12421	0.6
693.11902	0.5
711.12738	2.2
713.10822	1.2
729.13977	1.2
755.11945	0.6
763.14777	0.5
773.13348	0.6
881.15399	1.8
899.16577	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	1069.5558
Annotation	Kapakahine C
Peak:m/z	Relative Intensity
79.05518	0.1
81.07067	0.3
85.02918	0.3
91.05476	0.1
93.07058	0.2
95.01142	0.1
95.08587	0.5
97.02892	0.3
98.22672	0.1
105.07059	0.1
107.08641	0.2
109.10162	0.2
113.02158	0.1
115.03958	0.1
121.10139	0.1
122.68459	0.1
149.07382	0.1
155.03142	0.5
158.77867	0.1
165.30975	0.1
169.04797	0.2
173.04300	0.1
177.90848	0.1
185.04190	0.5
187.14885	0.1
193.51199	0.1
199.23418	0.1
201.03824	0.2
245.06406	0.6
275.07364	1.7
297.10648	0.1
302.62048	0.1
317.08426	3.1
333.07877	0.1
334.04828	0.1
335.09460	2.7
351.88693	0.1
361.11237	0.2
377.10593	0.4
407.11603	5.0
425.37366	0.1
443.38000	0.1
449.12671	1.1
449.17838	0.1
467.13684	0.8
467.19025	0.1
479.13596	0.8
497.14798	1.6
611.17889	2.9
629.18927	4.3
775.45880	2.2
775.59564	0.1
907.50226	1.1
935.51056	0.1
937.51019	3.3
938.52301	0.1
1069.55420	100.0
1070.55798	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	1069.5554
Annotation	Kapakahine C
Peak:m/z	Relative Intensity
85.02915	0.4
95.08649	0.2
97.02920	0.3
98.22705	0.3
113.02201	0.3
121.10245	0.2
127.03990	0.2
155.03166	0.4
160.77600	0.2
185.04231	0.3
211.10303	0.2
245.06367	0.3
275.07324	1.4
311.57584	0.2
317.08392	3.4
335.09439	2.0
361.11050	0.3
377.10464	0.4
407.11603	5.0
407.16537	0.3
449.12549	1.5
467.14035	0.6
479.13480	1.0
497.14542	1.1
611.17963	2.8
629.18896	3.1
775.45868	2.2
907.50128	1.1
937.50934	3.7
1069.55457	100.0
1070.55676	2.9
1074.42786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02371	1.5
53.03948	7.9
55.01851	0.7
65.03931	0.7
71.44328	0.5
77.03931	8.5
79.05493	62.6
80.05014	0.8
80.05827	1.2
81.03416	1.0
91.05482	4.6
95.04967	39.8
96.05309	1.1
101.86984	0.5
105.04515	18.0
105.07022	1.8
106.04829	0.5
107.04953	100.0
107.08585	2.0
108.04484	1.6
108.05286	2.8
108.08125	0.8
109.06535	0.6
119.06026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02374	1.8
53.03946	8.3
54.79230	0.4
55.01866	0.7
56.96569	0.7
58.56420	0.4
65.03944	0.8
72.87394	0.4
73.13511	0.5
77.03931	6.6
79.05492	63.8
80.05016	1.9
80.05817	1.1
81.03425	0.7
84.01563	0.8
87.42908	0.4
91.05475	5.2
95.04966	36.7
96.05302	0.8
101.57270	0.5
105.04514	18.8
105.07018	2.0
107.04951	100.0
107.08588	2.0
108.04475	2.3
108.05274	3.3
108.07393	0.4
108.08129	1.5
109.06532	0.7
117.10673	0.5
119.06071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03940	1.2
53.80144	0.6
65.03944	9.5
67.05506	1.8
71.08118	1.2
76.60767	0.7
79.05045	1.6
79.05493	24.2
80.05004	1.9
91.05479	100.0
92.05791	3.4
92.06287	1.9
95.04998	3.5
105.04511	1.1
105.07027	32.6
106.07388	1.2
107.04953	13.2
107.08592	51.2
108.04469	2.0
108.08109	4.9
108.08884	1.1
109.06522	19.0
119.05273	1.2
119.06065	14.1
119.60958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11249	0.7
50.33912	0.8
53.03937	0.9
60.55064	0.8
65.03937	10.0
67.05487	0.9
69.79890	2.3
71.39095	0.7
79.05495	17.1
80.05007	1.2
91.05479	100.0
92.05804	2.7
92.06269	2.2
95.04948	2.3
95.13877	0.7
95.48164	0.7
103.05468	0.8
103.97455	0.8
105.07027	31.3
106.07320	1.7
107.04942	5.6
107.08590	54.3
108.04492	1.7
108.08102	4.7
108.08940	2.7
109.06517	18.9
110.06861	0.7
119.06065	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15476	0.7
65.03943	7.8
65.19938	0.7
67.05509	2.1
70.69313	1.2
79.05492	19.4
80.05031	1.4
91.05482	100.0
92.05796	1.8
92.06265	3.0
93.05775	0.8
94.48758	0.7
95.04974	2.9
105.04527	1.9
105.07033	31.6
106.07354	1.5
107.04955	9.9
107.08597	45.3
108.04487	2.4
108.08115	3.0
108.08905	1.6
109.06522	15.6
119.06075	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	10.4
67.05502	2.1
69.44131	2.3
71.34817	0.5
71.36681	0.6
74.44456	0.5
74.45483	0.6
79.05041	1.2
79.05488	14.7
80.05011	1.6
91.05476	100.0
92.05795	2.3
92.06267	2.4
92.71462	0.6
95.04953	2.1
103.05441	0.7
105.04543	1.1
105.07025	34.2
106.07368	0.7
107.04958	5.7
107.08587	52.6
108.04463	1.3
108.08122	3.1
108.08920	1.7
109.06512	17.6
109.07228	1.2
119.06067	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
65.03943	8.7
67.05512	1.5
68.71089	0.4
71.44745	0.6
77.03922	0.6
79.05487	13.0
80.05021	0.9
80.05859	0.5
91.05479	100.0
92.05755	2.4
92.06299	2.4
95.04963	1.5
102.49538	0.5
105.07030	32.4
106.07372	1.5
107.04946	2.0
107.08590	52.9
108.04504	0.9
108.08131	1.6
108.08929	2.6
109.06518	17.6
110.06879	0.7
119.06064	16.2
120.06435	0.6
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
52.00888	0.8
65.03938	9.5
67.05482	0.8
68.90342	0.6
69.45776	3.2
79.05486	12.9
79.38721	0.6
87.82998	0.8
90.42946	0.7
91.05479	100.0
92.05797	2.2
92.06265	3.2
95.04989	1.4
105.07031	32.8
106.07406	0.7
107.04980	2.9
107.08595	53.7
108.04504	0.9
108.08146	1.2
108.08928	2.1
109.06522	19.1
118.00746	0.8
119.06065	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.568
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04479	5.1
77.03911	0.5
79.05486	3.3
81.03416	3.2
81.06569	0.4
81.07052	7.5
83.01331	0.4
83.04977	23.3
83.08596	1.4
85.02900	100.0
86.03238	0.2
86.06036	0.3
87.04461	3.4
87.79379	0.2
91.03958	0.6
91.05463	3.5
93.07037	7.3
93.07600	0.5
95.04954	2.4
95.08600	11.5
95.74541	0.2
97.02886	34.7
97.06518	0.8
97.10165	1.0
99.04451	2.7
101.02352	0.3
101.06030	1.2
103.03944	2.4
105.04539	0.3
105.07020	6.9
107.04963	0.5
107.08588	9.4
109.02876	2.9
109.06506	0.9
109.10149	7.7
111.04436	18.6
111.08103	0.6
111.11697	0.4
113.02373	1.1
113.05997	1.5
115.03920	18.2
117.06978	1.3
119.08577	6.6
120.39046	0.2
121.06484	0.8
121.10137	7.2
121.10981	0.5
123.04400	1.3
123.08075	0.5
123.10851	0.4
123.11702	3.7
125.02325	0.3
125.05966	0.4
127.03909	10.4
128.06203	0.3
128.44814	0.2
129.05472	37.2
129.07030	1.2
130.07739	0.3
131.08562	4.3
133.04962	8.3
133.10118	4.7
135.04416	0.8
135.08032	0.6
135.11685	7.3
137.02296	0.2
137.06004	0.4
137.09541	0.5
137.13243	2.2
139.03893	4.3
141.05486	0.5
141.06963	0.5
142.07808	0.6
143.03365	0.2
143.08559	3.0
144.09367	0.4
145.04953	10.2
145.10117	6.7
147.06512	22.1
147.11673	4.1
149.04440	0.6
149.05974	0.3
149.09605	0.3
149.13248	6.9
150.13667	0.2
151.03900	1.1
151.07500	0.4
153.05418	1.2
155.08563	1.1
156.09303	0.6
157.04945	1.5
157.10107	3.3
159.06540	0.6
159.08035	0.4
159.10362	0.3
159.11681	6.1
160.12158	0.3
161.05980	0.3
161.09651	0.8
161.12019	0.4
161.13231	3.2
163.03932	0.4
163.06018	3.0
163.07358	0.4
163.11186	0.4
163.14812	2.4
165.05502	0.6
165.07585	1.8
165.12747	0.4
167.08490	0.3
168.09398	0.3
169.04935	2.9
169.10080	1.8
170.10851	0.4
171.06516	2.1
171.11679	3.2
172.12483	0.3
173.04477	0.3
173.07698	0.2
173.09557	0.3
173.13245	4.3
175.06055	0.6
175.11212	0.6
175.14822	2.0
177.05350	0.3
177.12733	0.4
177.16295	1.3
179.07040	0.6
179.14243	0.4
181.04951	0.6
181.10149	0.5
181.12238	0.2
182.10989	0.4
183.06500	0.5
183.11670	1.8
185.13249	2.8
187.06036	1.1
187.11206	0.6
187.14815	3.6
188.09256	0.3
189.07495	0.2
189.12781	1.1
189.16365	5.3
191.14288	1.0
191.17931	8.2
193.04959	0.9
195.06569	1.1
195.11728	0.7
196.12451	0.5
197.08125	0.2
197.13264	1.5
199.06035	1.1
199.14799	2.8
201.07492	0.3
201.12685	1.5
201.16376	3.8
203.05457	0.3
203.14279	1.2
203.17938	3.2
205.15857	0.4
205.19473	3.5
207.06564	1.1
207.13873	0.6
207.17438	2.3
209.13281	0.4
211.06041	0.4
211.14793	1.8
211.21040	0.2
213.07610	0.9
213.12769	0.3
213.16325	1.3
215.14354	1.8
215.17902	1.2
217.07063	1.0
217.12320	0.3
217.15919	1.6
217.19513	0.9
219.13815	0.6
219.17441	0.4
219.21109	0.5
221.15434	0.3
223.06007	1.8
223.14767	0.6
225.07567	11.4
225.16382	0.5
227.14330	0.5
227.17949	0.7
229.15883	3.8
229.19443	1.2
231.08652	1.2
231.17429	0.8
231.21141	1.1
233.15320	1.7
237.07651	2.0
239.17989	0.4
241.07092	2.4
241.15958	0.3
241.19450	0.6
243.08629	12.6
243.21066	0.5
245.15340	0.6
245.22675	0.3
247.16997	2.0
247.20601	0.4
249.18481	0.3
253.19620	0.6
255.08615	3.9
255.17358	0.4
255.21068	0.3
257.19080	0.3
257.22672	0.4
259.08124	6.6
259.20563	0.3
261.09674	5.5
263.16406	4.0
267.21048	0.4
269.18964	0.5
273.09662	7.3
277.09271	0.8
279.10739	29.1
283.20465	0.7
291.10623	1.0
295.10214	6.0
295.20779	0.2
295.24310	0.4
297.21988	0.2
306.17172	0.2
309.11765	13.4
325.11279	0.6
351.10739	0.4
369.11777	0.3
387.12885	0.8
389.32022	0.6
391.33640	0.7
393.31281	0.6
401.31973	0.9
405.13934	1.3
407.33142	1.7
409.34619	0.8
411.32355	0.5
419.33072	7.4
420.33502	0.5
421.34250	0.3
425.33990	1.3
437.34131	23.3
438.34488	1.2
441.15845	1.2
453.33588	0.3
455.35172	35.9
456.35373	1.3
547.37744	0.3
551.37231	0.7
565.38458	0.7
569.38159	0.6
583.39539	0.9
587.39130	1.6
601.40741	0.6
1053.85559	0.3
1105.20276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.564
Annotation	Unknow
Peak:m/z	Relative Intensity
74.80589	0.5
79.05490	2.7
81.03409	6.6
81.07051	3.3
83.04966	1.6
85.02901	68.9
87.04458	3.4
91.03956	2.3
91.05483	1.7
93.07042	5.1
95.04980	1.4
95.08595	6.4
95.88331	0.5
97.02888	100.0
97.10162	0.7
98.22716	1.4
99.04442	4.4
103.03944	3.6
103.05550	0.6
105.07027	2.1
107.08600	4.8
109.02876	5.8
109.06567	0.7
109.10143	4.7
111.04403	1.3
113.02364	0.7
115.03925	48.0
117.06998	0.6
117.87283	0.5
119.08603	1.8
120.13590	0.6
121.10143	4.8
123.04446	1.6
123.11720	2.1
127.03905	24.6
129.05438	1.1
131.08568	1.1
133.04958	30.1
133.10124	2.3
135.04422	0.6
135.11696	3.9
137.02335	0.9
137.13292	0.5
139.03911	1.6
143.03407	1.4
143.08543	1.4
145.04955	33.9
145.10123	1.4
147.06474	0.5
147.11693	1.2
148.61278	0.5
149.13284	5.6
157.04973	2.1
157.10155	1.0
159.11684	2.1
161.09608	1.2
161.13264	1.3
163.06010	13.9
163.14772	1.3
169.04994	2.0
171.11685	1.6
173.09595	0.7
173.13263	1.1
175.11153	0.6
177.05272	0.5
177.12830	0.7
181.04926	1.6
183.06490	0.9
183.11670	0.6
185.13264	1.3
187.06070	0.8
187.11182	0.6
187.14844	1.6
189.12758	1.6
191.17928	5.0
193.05009	3.3
197.13313	0.7
199.06013	2.7
199.14778	0.8
201.12767	2.0
203.18004	1.7
205.19521	3.3
211.06007	11.8
213.12708	1.6
215.14384	0.7
217.07077	4.4
217.12270	2.1
217.16057	0.6
217.19585	0.9
219.13794	2.1
223.06021	9.4
227.14273	1.3
229.07069	15.1
231.13884	0.8
233.15285	0.6
241.07068	13.0
245.15245	1.0
245.46161	0.6
247.08105	4.3
249.14989	0.9
259.08136	36.1
261.14832	6.6
265.09167	18.3
277.09158	6.7
278.83493	0.6
279.10861	1.0
289.09088	1.0
295.10223	73.6
325.11292	10.5
373.11349	1.4
391.12173	1.7
407.33591	0.8
417.31210	1.3
423.32593	4.6
427.14520	2.3
435.32632	7.0
441.33600	5.3
453.33624	37.9
454.33649	0.9
457.15356	1.2
471.34589	6.9
514.05078	0.6
636.24902	0.7
636.35516	0.7
786.79663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.6007
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04477	4.9
79.05475	2.2
81.03416	4.4
81.07051	3.3
83.04980	24.2
85.02901	100.0
87.04467	3.8
91.03964	0.9
91.05473	1.8
93.07048	3.9
95.04942	2.5
95.08589	4.7
97.02888	45.6
97.06543	1.0
97.10155	0.7
99.04445	2.9
101.06037	1.0
103.03951	3.0
105.07026	2.6
107.05006	0.5
107.08582	4.2
107.86636	0.4
109.02865	4.3
109.06513	0.5
109.10165	5.1
111.04437	20.4
111.08070	0.5
113.02383	1.3
113.05994	1.4
115.03114	1.1
115.03926	20.8
119.08559	2.3
121.10155	4.9
123.04426	0.9
123.08035	0.4
123.11699	4.4
125.06010	0.8
127.03906	13.7
129.05473	43.8
131.03389	0.4
131.08588	0.5
133.04958	11.6
133.06473	0.6
133.10144	1.5
135.04375	0.7
135.11678	4.3
135.70471	0.4
137.06009	0.4
137.13228	0.9
139.03888	4.2
143.03348	0.5
143.08667	0.5
145.04948	14.5
145.10063	0.6
147.06517	26.4
147.11664	1.4
149.04468	1.1
149.05966	0.6
149.13219	3.2
151.03883	1.5
153.05461	1.0
157.04922	2.1
159.06461	0.6
159.11711	1.2
161.13255	1.4
163.06007	5.0
163.14835	1.1
165.05482	0.8
165.07588	2.2
169.04944	3.3
171.06442	2.1
171.11624	0.5
173.04477	0.5
175.14876	1.1
179.07079	0.6
179.14267	0.9
181.04979	0.6
183.06541	0.8
187.05949	1.1
187.14928	1.2
188.09192	0.7
189.12669	0.6
189.16388	1.1
191.17935	3.2
193.04970	1.0
195.06526	1.2
199.06046	1.4
201.16379	0.9
203.14313	1.1
203.17960	1.6
205.15898	1.1
205.19489	3.6
207.06522	0.8
213.07660	1.0
213.16426	1.0
215.17996	0.6
217.07111	1.4
217.15869	1.3
217.19554	0.6
221.08386	0.5
223.06009	4.0
225.05328	0.8
225.07571	14.9
231.08664	2.0
231.17459	1.1
235.16902	2.5
237.07544	3.3
237.18787	0.5
241.07047	3.9
243.08629	18.2
247.16931	5.1
249.18430	1.4
255.08633	5.4
259.08142	11.3
261.09717	8.9
273.09668	12.9
277.09222	1.9
279.10745	49.9
291.10696	2.3
295.10229	12.3
309.11777	24.9
325.11285	1.0
351.10660	1.0
369.11801	0.9
387.12817	2.0
405.13809	3.6
421.34598	1.9
427.35608	0.7
439.35684	26.3
441.15952	3.5
457.36752	7.2
549.38922	0.8
977.00073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04478	5.4
76.68909	0.6
79.05478	4.1
81.03406	3.9
81.07053	11.2
83.04975	23.5
83.08611	2.0
85.02900	100.0
85.06467	0.6
86.68079	0.7
87.04470	2.7
91.05467	4.1
93.07040	10.5
95.04967	2.7
95.08606	15.2
96.35783	0.6
97.02888	34.7
97.06525	1.3
97.10162	1.5
99.04456	2.3
101.06001	1.9
103.03934	2.4
104.56142	0.6
105.07023	8.7
107.04990	0.7
107.08587	12.6
109.02868	3.2
109.06499	1.5
109.10158	10.8
111.04434	18.9
111.05173	1.2
111.08115	1.3
112.55364	0.7
113.02355	1.6
113.06024	0.9
115.03923	20.5
115.04710	1.4
117.07023	1.6
119.08556	7.4
121.10141	10.3
123.04487	1.1
123.11709	4.6
125.05958	0.8
127.03910	11.7
129.05473	39.3
129.07030	1.3
131.08566	6.2
133.04961	9.5
133.10135	6.6
135.11696	10.2
136.36057	0.6
137.05936	1.0
137.13228	1.6
139.03879	4.8
142.07750	1.0
143.08588	3.7
145.02876	1.0
145.04942	9.1
145.10124	8.8
146.63762	0.8
147.06516	25.0
147.11673	6.8
149.06003	1.1
149.13246	6.5
151.03833	1.1
155.11809	0.6
156.09277	0.7
157.04955	1.5
157.10130	6.0
159.11681	7.7
161.13223	5.1
163.06017	5.0
163.11038	0.7
163.14799	4.0
165.07600	1.8
165.12775	0.8
169.04945	3.2
169.10152	1.4
171.06535	1.8
171.11707	3.4
173.13263	6.9
175.14844	4.3
177.05533	1.8
177.16376	1.6
179.07060	1.0
179.14308	1.4
183.11674	0.8
185.13240	3.9
187.06099	1.3
187.14807	5.8
189.16383	6.1
191.14296	3.1
191.17915	14.2
191.49390	0.6
193.15907	1.3
195.06580	1.0
197.08076	0.6
199.06071	1.5
199.14798	3.8
201.16400	7.6
203.14355	4.3
203.17958	6.0
205.15877	2.6
205.19496	3.0
207.06422	1.0
207.17374	3.1
209.15416	1.1
211.14865	1.8
213.07573	1.4
213.16359	6.6
215.14366	1.1
215.18039	2.6
217.07062	1.0
217.15958	4.2
217.19540	2.5
219.17438	5.0
219.21010	1.0
221.15300	3.2
223.06076	2.4
225.07562	10.4
225.09604	0.8
227.18010	1.0
229.15904	1.8
229.19502	2.0
231.08655	1.1
231.17436	5.3
231.21159	2.0
233.19037	2.2
237.07590	1.9
241.07066	2.9
243.08647	12.9
243.17355	0.8
243.21101	0.9
245.22772	1.0
247.16843	0.9
247.20648	1.5
249.18449	5.1
255.08607	4.0
259.08115	7.5
261.09726	6.5
265.18030	2.2
273.09680	10.8
277.09149	1.5
279.10751	36.9
285.21902	0.7
291.10733	1.2
295.10257	8.1
309.11755	17.6
325.11197	1.2
387.13065	1.2
391.33621	1.8
395.33307	0.9
403.33658	3.0
405.14014	1.8
405.35208	0.9
409.34659	7.5
421.34555	17.2
422.34955	1.0
423.36276	1.4
427.35684	6.4
439.35684	22.6
441.37244	1.3
457.36758	31.3
458.36966	1.1
475.37582	1.8
553.38702	1.5
559.40552	1.0
585.41309	1.5
589.40784	1.8
603.42633	1.3
901.46747	1.4
980.14905	0.7
1077.35864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03919	0.7
79.05484	4.3
81.03404	6.2
81.07047	12.2
83.01335	0.4
83.04977	1.3
83.08607	2.1
85.02892	68.1
85.06525	0.4
87.03953	0.3
87.04462	4.1
87.17224	0.2
91.03941	2.7
91.05463	5.2
93.06433	0.4
93.07030	10.0
95.04963	2.4
95.08593	19.2
97.02879	100.0
97.06496	0.7
97.10165	1.3
98.03190	0.3
99.04440	4.4
101.02358	0.8
103.03934	3.1
103.05445	0.3
105.04501	0.6
105.07015	7.7
107.04932	0.4
107.08575	12.4
109.02859	7.2
109.06514	1.1
109.10136	11.5
111.04418	1.3
111.08087	0.6
111.11710	0.7
111.37005	0.2
112.87041	0.2
113.02357	0.8
115.03912	44.7
117.05478	0.4
117.06995	1.6
118.08249	0.2
119.04942	0.6
119.07881	0.1
119.08556	7.9
121.06483	0.8
121.10130	11.5
123.04411	0.7
123.08053	0.9
123.11697	5.5
125.02356	0.7
127.03899	24.0
128.06192	0.4
129.05478	0.3
129.06995	1.8
130.07794	0.4
131.04886	0.3
131.08549	5.0
133.04948	27.6
133.10104	5.3
135.04398	0.9
135.06470	0.3
135.08044	0.8
135.11673	10.8
137.02303	0.4
137.05948	0.5
137.09625	0.3
137.13239	3.5
139.03867	1.6
139.11212	0.2
141.06985	0.5
142.07793	0.7
143.03400	1.0
143.08536	3.8
144.09323	0.2
145.04938	28.6
145.10106	8.4
147.04385	0.4
147.08020	0.7
147.11659	5.2
149.04457	0.7
149.05957	0.6
149.09608	0.4
149.13240	11.5
151.03906	0.7
151.11192	0.3
153.05455	0.5
155.07190	0.2
155.08536	1.3
156.09317	0.8
157.04941	2.1
157.10097	3.8
158.10925	0.4
159.08014	0.6
159.11673	7.4
160.12389	0.2
160.92802	0.2
161.09608	1.2
161.13228	4.3
163.03836	0.7
163.05998	13.2
163.11179	0.9
163.14801	3.1
165.05435	0.7
165.12852	0.3
167.08595	0.3
168.09337	0.2
169.04961	1.2
169.10085	1.7
171.11639	3.6
173.09590	0.6
173.13229	5.8
175.06039	0.4
175.11157	0.9
175.14801	2.7
177.05504	0.3
177.12740	1.0
177.16367	1.9
179.14249	0.5
181.04915	1.4
181.10114	0.4
182.10933	0.3
183.06512	0.2
183.11665	2.1
185.13248	3.3
186.13943	0.3
187.05966	0.5
187.11166	0.8
187.14790	3.5
189.12729	1.8
189.16360	5.8
191.14339	1.9
191.17909	10.9
193.04922	2.8
195.06557	0.6
195.11668	0.6
195.13573	0.2
197.13194	1.2
199.05991	2.4
199.14772	2.7
201.12750	2.5
201.16367	4.8
203.14305	1.7
203.17943	4.2
205.05016	0.4
205.07043	0.2
205.12172	0.4
205.15810	1.2
205.19490	5.1
207.13783	1.1
207.17448	2.8
209.13219	0.5
211.05978	11.1
211.14758	1.7
213.16312	1.4
215.14330	2.0
215.17857	1.2
217.07045	3.1
217.12289	0.3
217.15883	2.4
217.19365	1.3
219.13795	1.3
219.17429	0.5
219.21068	0.5
221.15381	0.5
221.19099	0.3
223.05972	8.4
225.16362	0.5
227.14284	0.8
227.17949	0.7
229.07040	11.5
229.15834	3.9
229.19412	2.2
231.17371	0.8
231.20981	2.3
233.15349	3.3
235.16809	0.5
235.20499	0.3
239.17969	0.5
241.07037	10.6
241.15887	0.3
241.19444	0.5
243.17477	0.5
243.21048	0.7
245.15384	1.3
245.19005	0.3
245.22621	0.8
247.08128	3.8
247.16890	3.8
247.20578	0.7
253.19577	0.4
255.17390	0.5
255.20969	0.6
257.18973	0.4
257.22565	0.4
259.08093	32.8
263.13547	0.4
263.16382	12.6
265.09143	17.2
267.17538	0.3
267.21124	0.5
269.19043	0.5
271.20383	0.3
277.09164	5.9
281.19009	0.3
283.20505	0.7
287.20099	0.3
289.09128	0.9
295.10196	64.2
296.10663	0.3
313.24945	0.3
317.24646	0.5
323.23514	0.3
325.11270	7.4
325.25269	0.3
340.08713	0.2
363.26727	0.2
373.11145	0.8
377.28400	0.3
389.31693	0.6
391.12335	2.0
391.33600	0.7
393.31351	0.8
401.31720	0.7
407.33005	4.2
409.13177	0.3
409.34515	0.9
411.32443	1.1
419.33008	8.6
419.38614	0.4
421.13455	0.3
425.34036	2.4
427.14441	2.1
427.35196	0.3
437.34088	33.8
438.34271	0.3
455.35132	63.6
456.35596	0.5
457.15631	1.4
473.36172	0.9
551.37048	0.8
569.38428	1.3
587.39148	2.1
599.38702	0.2
617.39459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.6167
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04485	4.4
79.05486	4.8
80.80653	0.7
81.03419	5.3
81.07053	11.6
83.04977	21.6
83.08614	1.9
83.19053	0.7
85.02901	100.0
87.04467	3.2
91.04002	1.1
91.05476	3.5
93.07049	7.4
95.04965	2.6
95.08606	16.1
97.02887	38.2
97.06519	1.1
97.10164	1.1
99.04450	3.3
99.99612	0.7
103.03947	2.1
105.07037	8.2
107.04957	1.1
107.08591	7.6
109.02876	2.5
109.10135	8.3
111.04438	20.3
113.02380	1.6
113.06048	1.6
115.03928	20.8
115.04711	1.4
117.07005	0.9
119.08578	7.6
121.10155	7.8
123.11727	3.3
125.02343	1.2
127.03915	14.6
129.05475	37.6
131.08578	2.6
133.04965	9.1
133.10109	4.7
135.11679	6.5
137.05966	1.0
137.13252	2.1
139.03891	2.8
145.04962	11.4
145.10114	5.4
147.06511	21.8
147.07628	1.4
147.11681	6.1
149.13246	5.9
151.03911	1.7
157.04955	1.6
159.06506	0.9
159.11690	4.0
161.13217	4.1
163.05988	5.0
163.14851	3.8
165.05563	0.9
165.07576	2.0
169.04962	3.3
171.06505	1.8
171.11656	1.4
173.13280	2.4
175.14795	9.0
177.16338	1.5
179.07095	0.8
179.14328	1.3
181.04921	0.9
185.13242	1.4
187.14845	3.0
189.16376	5.4
191.17941	17.7
193.04974	0.9
193.15904	8.2
195.06650	0.9
199.06001	1.0
199.14806	1.0
201.16354	3.7
203.14357	0.9
203.17975	5.9
205.15982	1.2
205.19548	4.8
207.17444	2.9
213.07594	1.3
213.16342	1.0
215.17995	2.7
217.07040	1.1
217.19557	3.2
219.17485	2.3
221.18820	1.5
223.06052	3.4
225.07581	12.3
229.19423	1.3
231.08675	2.0
231.17508	1.4
231.21091	3.3
233.19028	3.5
237.07582	2.2
241.07024	3.7
243.08650	12.9
243.20978	1.2
245.19048	0.9
245.22540	1.5
247.20615	0.9
249.18498	2.0
251.20085	1.1
255.08640	5.0
257.22552	1.0
259.08093	11.7
261.09744	7.7
273.09647	11.5
277.09161	1.2
279.10739	38.3
295.10229	11.1
309.11780	19.1
325.11533	1.2
327.12866	0.8
369.11487	0.9
387.13077	1.3
393.35443	1.3
405.13925	2.3
405.34964	3.6
407.36667	1.7
411.36191	9.3
423.36176	24.7
429.37396	1.5
441.16040	2.2
441.37283	27.1
459.38031	4.5
518.54712	0.8
543.40466	2.2
555.40283	2.1
557.42328	1.8
569.41724	3.2
575.42822	1.2
587.43408	0.9
600.02832	0.8
1077.81677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.6171
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04078	0.4
75.04475	4.6
77.03953	0.4
79.05473	2.1
81.03411	4.7
81.07052	7.1
83.01349	0.3
83.04976	22.2
83.08617	0.9
85.02898	100.0
86.03242	0.4
87.04462	3.9
91.03964	1.2
91.05473	3.1
93.07043	4.4
95.04958	2.4
95.08598	12.4
97.02885	47.4
97.06526	0.9
97.10158	1.0
98.03233	0.3
98.22753	0.5
99.04453	3.3
101.02417	0.3
101.06011	0.9
103.03931	3.0
103.05458	0.3
105.07021	8.1
105.07735	0.4
107.04958	0.5
107.08582	7.1
109.02863	3.9
109.06507	0.9
109.10154	7.6
111.04434	19.7
111.08027	0.3
111.11697	0.5
113.02375	1.1
113.05969	1.2
115.03922	22.0
117.05494	0.4
117.06995	1.6
119.08570	7.4
121.06484	0.7
121.10136	6.2
123.04425	0.9
123.11700	3.9
125.02307	0.5
125.05972	0.6
127.03905	13.4
129.05469	37.6
131.08569	2.9
133.04959	11.1
133.10126	5.1
135.04395	0.9
135.11693	4.9
137.02328	0.4
137.05949	0.7
137.13268	2.8
138.42607	0.2
139.03888	4.9
141.05452	0.6
142.07788	0.3
143.03358	0.6
143.08533	1.4
145.04947	13.6
145.10114	4.8
147.06511	21.1
147.11674	3.9
149.04439	0.8
149.05962	0.5
149.13239	3.6
151.03897	1.5
151.07559	0.4
151.14832	0.3
153.05507	1.1
155.08540	0.4
157.04947	1.4
157.10133	1.8
159.06522	0.5
159.11671	4.1
161.05965	0.4
161.13249	4.0
163.03886	0.5
163.06012	4.4
163.07385	0.1
163.14816	3.2
165.05437	0.8
165.07573	2.3
169.04935	3.2
171.06491	1.8
171.11674	1.0
173.13229	3.5
175.06113	0.3
175.14809	4.6
177.05400	0.4
177.12764	0.5
177.16350	2.1
179.07002	0.7
179.14294	1.5
181.04959	0.8
183.06502	0.7
183.11676	0.4
184.12492	0.3
185.13274	0.8
187.06000	1.5
187.14801	5.2
189.07454	0.2
189.12691	0.3
189.16376	5.8
189.18007	0.4
191.14340	0.6
191.17924	6.0
193.04977	1.3
193.15865	1.9
195.06523	1.3
197.08081	0.5
197.13229	0.4
199.06035	1.6
199.14764	1.7
200.62535	0.2
201.07484	0.3
201.16357	3.8
203.14240	0.7
203.17926	5.1
204.08725	0.3
205.15880	6.3
205.19427	2.3
207.06520	0.9
207.17458	2.2
211.06038	0.9
211.14726	0.5
213.07571	0.9
213.16341	2.4
215.17934	8.3
217.07114	1.3
217.15974	1.6
217.19490	3.0
219.17459	1.5
219.21083	0.6
221.19025	0.6
223.06010	3.4
225.07559	13.0
225.16362	0.5
227.09167	0.3
227.17931	1.3
229.07031	0.9
229.19481	1.8
231.08633	1.3
231.17413	0.5
231.21065	1.0
233.18996	5.4
235.16898	0.8
237.07573	2.0
239.17989	0.3
241.07045	4.7
241.19513	0.8
243.08624	15.5
243.17358	0.3
243.21086	1.5
245.19057	0.3
245.22643	0.5
247.20525	0.7
253.19498	0.4
255.08612	4.6
255.21167	1.4
257.22565	0.5
259.08121	11.5
259.20624	0.4
261.09683	7.7
261.22137	0.5
265.09134	0.8
267.20999	0.4
269.22580	0.9
271.24246	0.3
273.09677	11.2
273.22122	0.9
277.09225	2.0
279.10727	42.9
280.11258	0.3
281.22635	0.5
283.24292	0.5
285.22183	0.5
287.23737	0.3
289.09116	0.3
291.10687	2.0
295.10211	13.2
295.24246	0.4
296.10519	0.3
297.25812	0.4
309.11780	22.8
313.25198	0.3
325.11337	1.6
327.12997	0.3
351.10764	0.8
369.11697	0.7
387.12863	1.8
393.35043	1.0
395.36682	0.3
405.13843	2.6
405.29858	0.5
405.35098	7.2
407.36584	0.9
409.34656	0.6
411.36243	1.0
423.36188	33.3
424.36267	0.8
425.37790	1.7
427.34982	0.2
429.77454	0.3
435.14984	0.3
437.34006	0.7
441.16089	3.1
441.37244	25.9
442.37704	0.6
455.35208	2.2
459.38150	0.3
535.27521	0.3
537.39166	0.6
551.40942	0.6
555.40387	1.7
569.42242	1.3
573.41437	1.3
587.42480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.595
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03916	0.5
79.05486	5.3
81.03408	6.3
81.07050	15.6
83.01325	0.5
83.04974	1.2
83.08618	2.6
85.02898	66.9
85.30027	0.3
87.04465	3.9
88.07718	0.4
91.03968	2.4
91.05470	5.5
93.07038	11.1
95.01310	0.3
95.04979	2.1
95.08601	24.8
97.02885	100.0
97.06529	0.9
97.10151	1.3
99.04449	3.8
101.02385	0.6
103.03944	3.2
103.05447	0.7
105.04512	0.6
105.07021	10.8
105.07729	0.6
107.04939	0.8
107.08585	16.8
109.02864	6.4
109.06528	1.0
109.10148	14.2
111.04433	0.8
111.08088	0.8
111.11712	0.5
113.02362	0.6
115.03921	45.6
116.04282	0.6
117.07010	1.9
119.04927	0.5
119.08569	10.7
121.02897	0.3
121.06506	1.1
121.10139	14.0
123.04466	0.7
123.08067	0.6
123.11692	7.5
123.12524	0.6
125.02319	0.7
125.05949	0.5
125.09596	0.3
127.03905	23.2
128.06169	0.7
129.06992	1.7
131.08559	9.1
133.04956	25.0
133.10117	8.1
133.11127	0.4
135.04430	0.6
135.08028	0.8
135.11685	12.2
137.02386	0.4
137.06027	0.4
137.13254	5.0
139.03870	1.8
139.11208	0.4
141.06940	0.4
142.07790	1.0
143.03423	0.7
143.08533	3.8
144.09357	0.7
145.04947	28.5
145.10115	10.5
147.04462	0.5
147.08023	0.4
147.11671	6.5
149.04514	0.7
149.06024	0.5
149.09581	0.6
149.13249	12.0
151.03935	0.6
151.11134	0.7
153.05510	0.7
155.08577	1.1
156.09360	0.7
157.04938	2.1
157.10115	6.6
159.11673	7.3
159.12936	0.5
161.09621	0.5
161.13248	6.0
163.03891	0.9
163.06004	10.3
163.11128	0.7
163.14818	4.2
165.05495	0.6
165.12737	0.6
165.16571	0.4
168.09372	0.3
169.05014	1.0
169.10086	1.6
170.10931	0.4
171.11671	5.0
172.12437	0.5
173.13263	7.6
175.06065	0.4
175.11357	0.4
175.14812	4.5
177.05484	0.6
177.12775	0.7
177.16342	3.0
179.14297	2.2
181.04944	1.2
182.10791	0.4
183.11678	1.7
185.13258	5.1
187.06017	0.8
187.11176	0.5
187.14798	6.4
189.12717	1.3
189.16376	5.5
191.14299	3.9
191.17923	14.9
193.04926	3.2
193.12315	0.4
193.15897	1.2
197.13197	1.5
199.06056	2.1
199.14806	5.2
201.12753	0.4
201.16365	6.7
201.18076	0.5
203.14319	4.1
203.17918	5.8
205.05014	0.5
205.07057	0.5
205.15826	2.5
205.19504	6.0
207.13904	0.4
207.17467	3.4
209.15323	2.6
211.05995	10.2
211.14844	1.5
213.16382	4.5
215.14297	1.4
215.17920	2.6
217.07068	3.6
217.15950	3.7
217.19464	2.9
219.17439	3.9
219.21008	1.9
221.15338	3.9
221.18893	0.8
223.06017	6.7
225.16405	0.9
227.17979	1.1
229.07056	11.4
229.15909	2.6
229.19484	2.9
231.17451	5.8
231.21021	3.9
233.15477	0.6
233.18938	1.9
235.16969	1.2
237.16293	0.4
237.18645	0.4
239.17992	0.7
241.07042	10.5
241.19589	1.1
243.17439	0.8
243.21060	1.3
245.18996	0.7
245.22681	1.8
247.08157	2.9
247.17003	1.7
247.20599	0.8
249.18483	6.3
253.17776	0.3
255.21158	0.7
257.18970	0.6
257.22623	0.5
259.08112	32.0
259.20599	0.9
261.22302	0.3
265.09164	14.9
265.17920	7.6
269.19052	0.4
269.22672	0.6
271.08109	0.4
271.20471	0.8
277.09183	4.6
281.22595	0.6
283.20792	0.5
285.22177	0.8
287.23676	0.4
289.09052	0.4
295.10214	59.5
296.10388	0.7
325.11246	7.2
373.11243	0.9
391.12390	1.3
391.33502	2.3
393.35571	0.5
403.33572	1.6
407.33194	0.3
409.34637	7.4
411.36053	0.7
421.13760	0.5
421.34595	18.7
423.36133	1.4
427.14496	2.6
427.35690	6.8
438.34528	0.6
439.35663	31.8
440.36389	0.5
441.37347	0.8
455.35049	1.0
456.35062	0.9
457.15518	1.1
457.36713	56.9
458.37122	1.4
475.37866	3.7
541.38739	1.5
553.38837	2.5
555.19720	0.4
555.29675	0.4
559.39886	1.6
569.55988	0.4
571.39886	3.2
583.39874	0.5
589.41064	2.4
601.40710	0.6
619.41370	0.4
715.44385	0.6
733.44397	0.5
761.78815	0.4
769.08429	0.4
913.48126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.6284
Annotation	Unknow
Peak:m/z	Relative Intensity
83.75190	0.4
307.97400	0.4
634.63684	0.4
649.39508	0.5
652.52466	0.4
1081.62830	100.0
1082.63513	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	1083.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07085	0.3
85.02882	0.8
86.03277	0.2
86.54637	0.1
88.55588	0.1
93.07060	0.3
94.42601	0.1
95.08589	0.8
97.02900	1.1
98.03227	0.3
107.08664	0.3
109.10186	0.2
115.03957	0.5
127.03916	0.3
128.04379	0.1
133.04979	0.3
143.87222	0.1
145.04942	0.2
145.10246	0.1
146.05363	0.1
151.49377	0.1
155.03133	0.8
163.06119	0.1
169.04832	0.2
173.04411	0.2
185.04300	0.6
201.03798	0.2
241.07396	0.1
245.06427	0.5
260.08472	0.2
275.07355	2.4
295.10352	0.2
296.10699	0.2
297.10822	0.1
297.25125	0.1
308.82202	0.2
317.08383	3.8
335.09464	3.4
335.13129	0.2
361.11252	0.2
372.29306	0.1
377.10806	0.4
407.11581	6.3
438.34540	0.2
449.12683	1.7
449.17987	0.2
456.35797	0.2
457.36343	0.1
458.36386	0.1
467.13705	0.7
479.13623	0.9
497.14792	1.9
604.04407	0.1
611.17932	3.5
611.27448	0.2
629.18933	4.9
789.43658	2.5
921.47961	1.5
951.49060	3.4
1083.53345	100.0
1084.53467	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	1083.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02936	0.2
95.08630	0.3
97.02908	0.2
107.08633	0.2
113.02206	0.1
155.03278	0.3
164.72687	0.1
169.04753	0.4
185.04318	0.3
193.25919	0.1
199.64445	0.2
245.06404	0.6
275.07346	1.9
275.09930	0.2
317.08405	2.0
331.10028	1.1
335.09445	2.0
421.13159	3.2
463.14334	0.8
479.13895	1.1
481.15134	0.3
497.14749	1.6
625.19476	2.8
643.20538	3.1
751.12482	0.1
775.45691	2.6
921.51941	1.2
937.51202	6.0
1083.56995	100.0
1084.57312	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	1085.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
98.97613	0.3
110.97614	0.3
113.45737	0.3
117.00383	0.3
128.98663	0.4
130.39140	0.3
156.11574	0.3
170.99585	0.3
187.14882	0.3
189.00822	0.4
219.01930	1.0
237.02991	0.6
279.03845	0.5
305.40448	0.3
422.87952	0.3
489.01956	0.4
757.90686	0.3
953.47375	1.0
1085.52905	100.0
1086.53308	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	109.0288
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
53.03948	11.5
57.32820	0.5
67.05495	0.9
69.50053	1.2
69.50417	1.3
81.03422	100.0
81.07072	0.7
82.02019	0.6
82.03754	2.0
83.70496	0.5
89.09799	0.6
109.02880	34.9
109.07655	1.4
110.03253	0.7
110.06025	1.9
115.03336	0.6
120.05433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01880	0.6
55.05512	8.5
59.55428	0.6
65.03939	3.4
67.05505	100.0
68.05840	1.9
69.07067	5.4
79.05501	7.4
80.06274	1.1
81.03415	2.9
81.07061	33.8
82.07395	0.8
87.00459	1.3
91.05441	0.9
94.04184	1.0
94.07830	2.4
107.08602	4.0
109.02888	1.7
109.06532	3.1
109.07668	1.7
109.10159	65.9
110.06050	5.0
110.10490	2.9
122.99612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01861	0.7
55.05511	10.7
56.05847	0.4
65.03942	3.9
66.22044	0.4
67.05503	100.0
68.05835	2.7
69.07070	6.1
71.44812	0.4
77.87315	0.5
78.96698	0.4
79.05492	8.4
80.05817	0.4
80.06278	1.0
80.81347	0.5
81.03422	4.0
81.07055	36.3
82.07393	1.2
87.00491	0.5
87.17465	0.5
91.05460	2.3
94.04186	2.0
94.07800	1.1
107.04958	0.9
107.08595	4.1
107.70440	0.5
109.02892	1.8
109.06519	10.8
109.07678	1.1
109.10153	77.6
110.06064	3.6
110.10495	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03948	1.9
55.05511	10.2
65.03936	3.0
67.05502	100.0
68.05840	2.3
69.07065	6.3
69.77006	0.4
70.11968	1.0
79.05491	6.9
80.06265	0.6
81.03413	2.1
81.07054	31.7
82.07385	1.5
87.00469	0.8
91.05487	0.9
94.04197	0.9
94.07798	1.1
98.23393	0.6
107.08604	4.0
109.02893	1.5
109.06525	3.4
109.10152	74.8
110.06064	2.3
110.09811	0.4
110.10474	2.7
126.08614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01850	1.1
55.05500	9.8
65.03934	5.4
66.55658	0.8
67.05502	100.0
67.13121	0.9
68.05836	2.5
69.07075	6.5
69.35435	4.6
79.05492	16.0
81.03400	3.1
81.07054	44.8
82.07384	1.4
91.05474	13.6
94.04174	14.5
94.07806	1.1
101.90748	1.0
103.62914	0.9
107.04950	8.3
107.08598	3.0
109.02895	2.2
109.06518	57.3
109.07664	2.3
109.10151	70.9
110.06027	4.4
110.06776	1.8
110.10481	2.6
119.06066	2.0
121.04011	1.2
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	1.6
55.05509	9.9
65.03937	3.3
67.05503	100.0
68.05830	2.0
69.07063	6.7
70.68281	0.5
70.68613	0.5
79.05489	5.5
80.05828	0.5
80.06277	1.0
81.03426	0.8
81.07054	30.0
82.07375	0.8
91.05479	1.1
91.55363	0.4
93.70371	0.4
93.81820	0.3
94.07834	1.2
104.04346	0.3
105.07073	0.6
107.08590	4.7
109.02892	0.6
109.06522	1.0
109.10152	94.7
109.95582	0.3
110.06033	1.6
110.10477	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03934	1.6
55.05507	9.2
65.03933	3.4
67.05502	100.0
68.05825	2.4
68.72923	1.0
69.07066	4.3
79.05494	8.1
81.07053	30.7
82.07381	1.2
90.06458	0.9
91.05496	1.4
105.81509	1.0
107.08591	3.0
108.98042	1.0
109.06503	3.9
109.07652	4.2
109.10150	54.1
110.06033	14.1
110.10499	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01850	1.1
55.05500	9.8
65.03934	5.4
66.55658	0.8
67.05502	100.0
67.13121	0.9
68.05836	2.5
69.07075	6.5
69.35435	4.6
79.05492	16.0
81.03400	3.1
81.07054	44.8
82.07384	1.4
91.05474	13.6
94.04174	14.5
94.07806	1.1
101.90748	1.0
103.62914	0.9
107.04950	8.3
107.08598	3.0
109.02895	2.2
109.06518	57.3
109.07664	2.3
109.10151	70.9
110.06027	4.4
110.06776	1.8
110.10481	2.6
119.06066	2.0
121.04011	1.2
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
53.03942	1.2
55.05511	9.0
63.65417	0.8
65.03938	4.0
67.05504	100.0
68.05830	1.8
69.07050	3.0
69.70033	2.6
79.05489	4.5
81.07053	28.7
91.05481	1.0
91.26734	0.8
98.22754	1.8
107.08592	3.4
109.06532	2.1
109.07645	3.2
109.08472	1.7
109.10157	52.2
110.06046	12.9
110.07210	1.1
110.10495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5802
Annotation	Unknow
Peak:m/z	Relative Intensity
77.79050	0.9
79.05492	1.5
81.03433	4.0
81.07042	3.2
83.04980	27.6
84.86877	0.8
85.02901	100.0
87.04456	3.7
91.05475	1.4
93.07056	4.0
95.04974	2.6
95.08618	4.6
97.02890	45.1
99.04443	3.3
103.03919	2.4
105.07030	1.6
107.08595	3.4
109.02862	3.3
109.10158	3.1
111.04443	22.5
113.02371	1.4
113.05995	1.1
115.03932	21.4
118.77315	0.9
119.08574	1.3
121.10161	3.2
123.04430	0.9
123.11710	2.1
127.03912	15.5
129.05476	42.6
133.04961	9.1
133.10115	1.3
135.11714	3.4
137.05991	1.4
139.03928	5.2
145.04956	12.7
147.06514	25.4
147.07643	1.7
147.11734	0.9
147.87796	0.8
147.88913	1.0
149.04509	1.1
149.13246	3.2
151.03886	1.3
155.08594	1.4
157.04903	1.2
158.07263	0.9
159.11717	2.0
161.13278	0.9
163.06026	4.7
165.05478	1.0
165.07623	2.6
169.04987	5.5
171.06503	2.0
177.05496	1.0
179.06992	1.2
183.06566	0.9
187.06001	1.6
191.17963	2.4
193.05003	1.4
195.06531	1.3
199.06056	1.8
201.12790	1.5
205.19542	2.1
207.06502	1.4
213.07587	1.3
223.05952	3.8
225.07596	14.1
231.08594	1.7
237.07545	1.8
241.07098	3.2
243.08611	13.9
255.08606	6.7
259.08102	12.5
261.09686	8.2
261.14914	3.9
273.09717	12.7
275.07028	0.9
277.09232	1.1
279.10736	45.7
280.11237	1.0
291.10806	2.4
295.10233	10.3
309.11789	20.8
325.11157	2.0
327.48773	0.9
387.12955	1.8
405.13834	2.2
423.32321	2.4
435.32330	2.5
441.15921	2.5
441.33560	2.4
453.33606	19.7
471.34442	3.0
491.92978	1.0
526.40735	0.9
663.40259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	0.5
79.05489	3.6
81.03414	5.9
81.07052	7.5
83.04986	1.4
83.08603	1.9
84.77527	0.2
85.02900	63.1
86.03204	0.3
87.04465	4.1
91.03951	2.3
91.04932	0.4
91.05475	5.1
93.07040	9.8
95.01358	0.3
95.04979	2.0
95.08604	17.3
97.02886	89.4
97.10146	1.3
98.03197	0.3
99.04438	3.2
99.68026	0.3
101.02397	0.6
103.03936	3.0
103.05463	0.7
105.04521	0.4
105.07018	7.9
107.04942	0.9
107.07495	0.4
107.08582	12.1
109.02874	5.9
109.06545	1.2
109.10149	13.2
110.47035	0.3
111.04440	1.2
111.08069	0.4
111.11686	0.6
113.02383	0.4
115.03924	40.2
117.06993	1.4
119.08575	7.6
121.06501	0.9
121.10139	18.3
122.62907	0.3
123.04449	0.7
123.08069	0.8
123.11707	4.4
125.02333	0.9
127.03907	21.3
128.06190	0.5
129.05524	0.7
129.06989	1.6
131.08563	5.3
133.04958	25.3
133.10126	6.0
135.04463	0.6
135.08075	0.8
135.11682	11.3
137.02344	0.4
137.05992	0.7
137.13249	2.9
139.03885	1.7
141.07025	0.7
142.07755	1.0
143.03378	1.0
143.08536	3.7
144.09386	0.5
145.04951	25.5
145.10118	6.1
147.04399	0.3
147.08025	0.9
147.11679	5.2
149.04588	0.4
149.05991	1.0
149.09641	0.5
149.13245	7.3
151.03908	0.8
151.14847	0.5
153.05475	0.5
155.08493	1.8
156.09387	0.6
157.04985	1.8
157.10115	4.7
158.10913	0.6
159.08080	1.1
159.11681	8.0
160.08789	0.4
161.09587	1.9
161.13240	3.9
163.03951	0.6
163.06017	10.1
163.14816	6.5
165.05412	0.5
168.09334	0.6
169.04913	1.5
169.10092	1.7
171.11684	4.9
173.04448	0.3
173.09656	1.0
173.13243	10.3
175.11165	3.0
175.14833	2.0
177.09161	0.3
177.12778	0.8
177.16391	1.7
181.04964	0.9
181.10098	0.4
182.10942	0.4
183.11650	2.1
185.09644	0.7
185.13243	2.6
187.06036	0.4
187.11140	1.3
187.14813	2.9
189.12747	2.5
189.16371	2.8
191.10652	0.5
191.14313	1.0
191.17932	33.8
193.04955	2.8
193.12286	0.4
195.11647	0.5
197.13248	2.9
199.06012	1.7
199.11221	1.0
199.14825	2.3
201.12708	5.4
201.16325	1.6
203.10667	0.7
203.14229	0.6
203.17935	8.3
205.05083	0.4
205.12268	0.3
205.15904	0.4
205.19499	4.6
207.17351	0.3
209.13260	0.3
211.05981	7.2
211.11272	0.4
211.14873	0.7
213.12679	0.6
213.16400	1.1
215.14310	3.3
215.17909	1.4
217.07040	3.0
217.12280	2.6
217.15900	1.0
217.19534	2.8
219.13766	2.7
219.21028	0.3
221.19072	0.5
223.05998	6.6
223.08228	0.3
223.14882	0.5
225.12781	0.3
225.16383	0.6
227.14244	0.5
227.17899	0.5
229.07059	9.2
229.12112	1.4
229.19522	0.5
231.13789	0.6
231.17503	0.3
231.21019	0.3
233.15379	2.6
239.14420	0.4
239.17825	0.6
241.07059	9.5
241.15871	0.8
241.19521	0.5
243.13799	0.8
243.17499	0.6
245.15392	0.5
247.08115	3.2
247.13271	0.8
253.15939	0.5
255.17441	0.6
259.08112	23.6
261.14813	1.8
261.18478	0.4
265.09167	12.9
269.19000	0.5
271.08090	0.3
271.16931	0.6
271.20383	0.3
273.18515	0.7
275.20059	0.3
277.09140	5.1
279.16000	0.5
281.18887	0.3
285.18454	0.3
287.16379	0.7
289.09195	0.5
289.17953	0.3
295.10220	49.9
296.10641	0.3
305.17416	0.6
313.21509	0.3
321.20657	0.3
325.11255	6.2
373.11435	0.6
373.23676	0.7
377.27957	0.4
377.32315	0.5
385.23709	0.4
391.12363	1.3
405.31503	3.5
407.33313	0.3
421.61221	0.3
423.32571	5.5
425.34503	0.5
427.14362	1.4
433.30991	0.9
441.33658	4.0
451.32071	10.6
454.33981	0.3
457.15536	1.1
469.33105	100.0
470.33539	2.2
487.34171	13.0
565.35223	0.8
583.35938	0.6
601.37256	3.3
636.64569	0.3
732.25208	0.3
745.42078	0.6
749.35815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.5956
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	3.4
81.03418	3.6
81.07056	7.9
83.04979	23.1
83.08607	1.4
85.02901	100.0
87.04468	3.6
91.04053	0.9
91.05477	3.8
91.28010	0.8
93.07047	8.8
95.04964	2.4
95.08605	13.6
97.02889	43.8
99.04460	3.6
100.50161	0.8
101.06006	1.2
103.03951	3.3
105.07031	6.3
107.08586	7.4
109.02848	4.7
109.06493	1.8
109.10160	8.3
111.04437	18.0
113.02354	1.2
113.06023	1.8
115.03925	21.0
117.07014	1.0
118.97966	1.0
119.08566	5.5
121.10134	7.4
123.11720	3.8
127.03920	13.5
129.05479	36.4
131.08551	4.0
133.04962	9.7
133.10147	3.3
135.04387	1.0
135.08034	1.1
135.11702	7.8
137.13206	1.9
139.03880	5.0
143.08546	2.6
145.04947	13.0
145.10110	8.0
147.06520	21.8
147.11630	4.0
149.04437	1.2
149.13271	7.7
151.03931	1.2
153.05460	1.3
157.04953	1.3
157.10178	2.9
159.11662	4.7
161.13251	2.9
163.06030	3.9
163.14815	2.2
165.05470	1.1
165.07582	2.4
169.04968	4.5
169.10081	2.0
171.06493	1.8
171.11743	2.5
173.13261	3.6
173.27652	0.9
175.14813	1.6
177.16432	1.7
181.05040	1.1
183.11668	1.9
185.13280	1.8
187.06018	1.8
187.14856	2.5
189.16417	3.5
191.17912	6.1
193.05025	1.0
197.13312	1.1
199.06053	1.4
199.14886	1.4
201.12688	1.5
201.16425	3.6
203.14410	1.2
203.17972	2.9
205.19589	5.0
207.06589	1.3
207.17456	1.8
213.07549	1.3
213.16380	1.6
215.14214	1.8
217.07230	0.9
217.15898	1.3
217.19524	1.4
219.13849	1.8
223.06010	2.7
225.07587	13.4
227.14253	1.2
229.15826	3.1
229.19571	1.8
231.21042	1.7
233.15382	2.4
237.07536	2.6
241.07036	4.2
243.08655	16.8
244.77879	0.8
247.16986	2.3
255.08597	4.4
259.08179	10.9
261.09641	8.5
263.16400	8.0
269.35474	1.0
273.09686	13.8
277.09262	1.6
279.10739	45.5
291.10825	1.6
295.10251	11.0
309.11777	21.4
312.94272	0.9
351.10770	1.3
387.12781	1.8
398.72995	0.9
405.13797	2.5
407.33026	1.4
419.33081	5.5
437.34174	23.8
441.16110	4.4
455.35190	42.3
456.35175	0.9
587.39252	1.6
645.95892	1.2
1008.01080	0.9
1039.45386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05497	3.4
81.03410	5.3
81.07056	9.2
83.04984	3.3
83.08614	1.5
85.02895	68.5
86.03236	1.1
87.04493	3.6
91.03949	2.3
91.05482	4.9
93.07039	6.7
95.04964	1.5
95.08594	16.7
97.02885	100.0
97.06539	0.8
99.04433	4.2
101.02390	0.9
103.03925	3.0
103.05448	1.3
105.07020	8.2
107.08593	10.7
109.02879	6.4
109.06498	1.0
109.10152	8.7
111.04440	1.9
115.03922	48.6
115.90276	0.7
117.07018	1.2
119.08574	8.6
121.10136	10.3
123.04420	1.9
123.11687	5.2
125.02361	1.0
125.05936	1.0
125.40462	0.7
127.03902	22.5
129.05492	1.7
129.06990	1.4
130.05673	0.8
131.08563	6.5
133.04955	27.1
133.10133	5.6
135.04346	0.8
135.11668	8.0
137.05991	1.1
137.13196	4.1
139.03882	2.7
143.08545	3.6
145.04948	29.7
145.10104	11.3
147.06459	0.8
147.08041	1.2
147.11667	5.4
149.13235	5.4
153.05528	0.8
155.08583	1.5
157.04945	2.3
157.10104	5.9
159.08131	0.9
159.11679	6.0
161.09618	3.3
161.13239	4.1
163.03964	1.0
163.06007	11.5
163.07333	1.3
163.14810	4.4
165.05484	0.9
167.06984	0.7
169.04938	1.0
169.10086	1.4
171.11702	2.6
173.13243	7.2
175.11147	1.4
175.14789	3.3
177.05554	0.8
177.16393	2.4
181.04997	2.1
183.11674	2.0
185.09798	0.9
185.13200	7.1
187.11218	0.7
187.14801	7.3
189.12724	1.7
189.16370	4.6
191.17928	41.1
192.18250	1.1
193.04880	3.4
197.13168	1.1
199.06029	4.1
199.14807	8.8
200.15117	0.8
201.12753	2.5
201.14799	0.8
201.16357	5.1
203.14281	7.2
203.17905	8.8
205.12199	1.5
205.19524	2.5
211.06007	8.6
211.14865	1.3
213.12613	0.7
213.16307	1.4
215.14360	2.0
215.17897	1.3
217.07153	2.7
217.15872	6.4
217.19527	2.9
219.13785	11.3
219.17291	0.9
219.21008	0.8
221.15462	1.0
223.06010	9.0
225.16513	1.3
227.14275	1.1
229.07045	10.2
229.15942	1.0
229.19257	0.9
231.13835	2.0
231.21223	0.8
233.15303	2.2
235.17003	1.3
241.07040	11.1
243.17490	0.8
245.15340	5.5
247.08138	3.7
249.14772	1.1
259.08124	31.2
263.16458	2.6
265.09183	12.6
273.18469	0.7
277.09131	4.9
279.10770	1.4
281.17609	1.9
295.10217	55.8
296.10495	0.7
309.11795	0.7
325.11215	6.9
373.11340	0.8
389.32034	1.0
391.12262	1.4
391.33667	1.0
407.32889	5.2
409.34634	0.8
420.33676	1.0
423.32672	2.2
425.34079	7.3
427.14346	0.8
427.35608	1.4
435.32584	8.1
438.34366	1.0
441.33334	3.8
443.35153	4.1
453.27371	1.0
453.33615	16.9
471.34674	98.2
472.34872	1.9
489.35727	9.0
549.34564	0.7
567.37598	1.2
585.37628	0.7
603.38757	10.9
633.39722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03899	0.5
79.05483	4.4
81.03410	5.8
81.07049	11.5
83.01326	0.5
83.04987	1.6
83.08592	2.4
85.02895	69.4
87.04460	4.4
91.03937	2.9
91.05460	5.1
93.07037	10.2
95.01307	0.3
95.04976	1.9
95.08595	17.9
97.02879	100.0
97.06510	0.7
97.10147	1.2
98.03214	0.4
99.04454	4.0
101.02368	0.7
103.03945	3.1
105.04510	0.6
105.06384	0.2
105.07018	9.9
107.04934	0.8
107.08580	11.7
109.02864	6.7
109.06531	1.3
109.10143	11.3
111.04441	0.9
111.08035	0.5
111.11723	0.4
113.02290	0.5
115.03915	48.7
116.04247	0.4
117.05493	0.4
117.06990	2.1
119.04915	0.5
119.08567	7.3
121.06511	1.0
121.10131	13.9
123.04421	1.1
123.08073	0.8
123.11689	5.3
125.05882	0.3
127.03903	25.3
128.06213	1.3
129.06987	1.8
130.07791	0.6
131.08565	4.8
133.04948	30.2
133.10110	5.9
135.04436	0.8
135.08057	1.1
135.11682	9.1
137.02374	0.4
137.05971	0.6
137.13228	4.5
139.03874	2.6
141.07013	0.7
142.07788	1.1
143.03366	0.9
143.08537	5.0
144.09337	1.0
145.04942	31.1
145.10103	9.2
147.04370	0.4
147.08055	0.8
147.11682	5.2
149.05992	0.5
149.09656	0.4
149.13243	6.9
151.03906	0.9
151.14778	0.6
153.05389	0.7
155.08536	1.1
156.09340	1.0
157.04941	1.5
157.10115	5.2
159.08041	0.9
159.11678	12.0
160.59618	0.3
161.09575	3.3
161.13223	5.7
163.03891	1.0
163.05998	13.4
163.11209	0.6
163.14786	3.8
165.05487	0.9
168.09315	0.5
169.04971	1.5
169.10107	2.4
170.10927	0.4
171.11653	3.0
172.08771	0.3
173.09647	0.8
173.13251	6.0
175.03822	0.4
175.06039	0.7
175.11227	1.6
175.14748	2.8
177.05489	0.3
177.09186	0.6
177.12749	1.4
177.16351	2.0
179.14305	0.8
181.04985	1.1
181.10147	0.3
183.11659	2.5
185.13234	3.9
187.06085	0.4
187.11174	1.9
187.14795	2.9
189.12718	2.4
189.16365	3.5
191.10696	0.4
191.14314	1.3
191.17920	23.3
193.04930	3.0
195.11714	0.8
197.13266	1.5
199.06020	2.3
199.11163	0.4
199.14816	2.6
201.12726	2.8
201.16362	2.0
203.10564	0.4
203.14322	1.2
203.17923	4.9
205.12215	2.1
205.15698	0.3
205.19450	2.1
207.13852	1.0
207.17377	0.5
209.13255	0.9
211.05983	10.2
211.14815	0.8
213.12756	1.1
213.16360	0.9
215.14273	1.4
215.17953	1.0
217.07060	4.1
217.12241	1.2
217.15919	1.5
217.19447	1.8
219.13757	0.8
219.21045	0.3
223.05949	8.6
223.07932	0.6
227.14314	1.2
227.17975	0.8
229.07051	13.8
229.15849	0.7
229.19470	3.0
231.13806	1.5
231.17456	0.4
231.21158	0.6
233.15324	0.7
235.16858	0.3
241.07047	11.0
241.15746	0.5
241.19485	0.5
243.13802	0.3
243.17393	0.6
243.21132	0.5
245.15302	1.8
247.08119	4.5
247.16974	0.7
247.20587	2.1
249.14714	0.4
253.16153	0.3
253.19435	0.3
255.17432	0.4
259.08099	35.1
261.14908	1.0
261.18527	0.5
263.16156	0.5
265.09155	22.2
267.17551	0.4
273.18430	0.3
277.09152	6.5
279.15997	0.5
289.09201	0.7
295.10202	85.6
296.10629	0.6
325.11252	9.5
328.64499	0.3
337.09183	0.4
357.24039	0.5
373.11435	1.1
373.29102	0.4
379.33612	0.4
381.31479	0.9
384.86633	0.3
389.32101	0.9
391.12231	1.7
391.29913	1.1
407.33112	4.0
409.13602	0.8
409.30933	14.1
417.31509	3.5
421.13431	0.6
425.33917	2.0
427.14398	3.8
435.26852	0.6
435.32544	10.6
453.33588	69.8
454.33868	1.0
457.15305	2.1
471.34683	23.5
472.34912	0.4
549.35785	0.4
567.36816	1.1
585.37848	2.7
587.38776	0.4
615.38507	0.4
729.42535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.615
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	4.9
81.03408	5.0
81.07049	9.0
83.04977	17.9
83.08611	1.8
85.02900	100.0
86.03230	2.7
87.04473	4.0
90.40038	0.4
91.03957	1.7
91.05460	5.6
93.07038	8.4
94.07378	0.6
95.04974	3.1
95.08599	17.2
96.08923	1.5
97.02887	64.9
97.06522	1.2
97.10184	1.0
98.03222	4.5
99.03331	0.7
99.04465	3.5
103.03928	2.8
105.07023	8.4
106.07372	0.7
107.04967	1.1
107.08588	13.0
108.08911	1.3
109.02866	5.5
109.06509	1.8
109.10145	11.7
110.10478	1.0
111.04439	14.7
111.08083	1.9
111.11722	0.8
113.02389	0.4
113.03323	0.5
113.05968	1.1
115.03924	30.5
116.04274	2.7
117.07028	1.7
118.07307	0.5
119.08566	7.6
120.08895	0.7
121.06522	0.7
121.10139	13.5
122.10458	1.6
123.04421	1.7
123.08051	0.8
123.11701	5.0
125.02347	0.6
125.05998	0.6
125.09652	0.8
127.03909	18.4
128.04230	1.4
128.06213	0.7
129.05473	33.4
129.07022	1.6
131.08572	5.6
133.04967	16.5
133.10127	4.8
134.05302	1.2
135.04446	1.1
135.11687	8.1
136.11986	1.3
137.05945	1.0
137.13266	3.4
138.13599	0.5
139.03857	3.9
143.03395	0.9
143.08565	2.9
145.04947	20.5
145.10126	5.9
146.05307	1.9
146.10420	0.6
147.04469	0.7
147.05362	1.0
147.06511	18.0
147.11678	6.0
148.12010	0.6
149.04468	0.7
149.05841	0.8
149.13246	9.4
150.13553	0.8
151.03885	2.1
151.07573	0.7
153.05464	1.3
155.08568	0.9
156.09227	0.6
157.04953	2.0
157.10135	3.2
159.11717	5.9
161.09601	0.8
161.13271	3.4
163.03860	0.7
163.06009	7.1
163.14803	3.3
164.06416	0.7
164.15160	0.8
165.05455	0.9
165.07585	2.0
165.12828	0.6
169.05006	3.2
169.10094	1.3
171.06520	1.9
171.11662	2.5
173.13272	6.7
174.13744	0.7
175.11195	1.5
175.14830	2.7
176.11508	0.8
177.05421	0.6
177.12737	0.5
177.16403	1.5
179.14285	0.5
181.04974	0.9
183.11687	1.6
185.13182	2.6
187.06017	1.1
187.14819	2.8
189.12816	0.8
189.16397	3.3
191.14253	1.5
191.17941	13.2
192.18323	4.7
193.04953	1.0
193.15836	0.8
193.18613	0.9
195.06438	1.2
197.13213	1.6
199.06015	1.7
199.11127	0.5
199.14778	2.3
200.06482	0.6
201.12779	1.5
201.16365	2.3
202.13129	0.5
203.14285	2.8
203.17921	5.8
204.18373	1.0
205.15816	0.9
205.19539	4.5
207.06509	0.6
207.17430	1.4
209.15306	1.3
211.05988	3.1
211.14810	0.9
212.06340	0.8
213.07625	0.6
213.16364	2.4
215.14267	1.3
215.17932	1.4
217.07085	2.4
217.12379	0.7
217.15944	2.8
217.19481	1.6
219.13852	0.8
219.17424	1.3
219.21053	0.5
221.15276	1.9
223.06000	4.2
224.06354	1.0
225.07567	11.6
225.16412	0.5
227.17960	1.4
229.07074	3.5
229.15909	0.8
229.19492	1.3
230.07520	1.2
231.08678	0.8
231.17456	3.1
231.21042	1.5
233.15491	0.8
237.07518	1.7
241.07094	6.9
241.15807	0.6
243.08655	13.8
243.17390	0.5
245.22539	0.8
247.08058	1.5
247.20427	0.8
249.18484	6.2
255.08612	5.3
255.20912	0.9
257.18893	0.6
257.22589	2.1
259.08112	17.4
260.08466	3.9
261.09717	6.7
265.09146	3.8
265.18011	4.5
266.09515	2.0
267.09479	0.7
267.21133	0.7
269.22464	0.6
273.09686	10.0
277.09186	2.9
279.10736	41.0
281.22388	1.1
291.10632	1.4
295.10229	25.8
296.10544	6.4
297.10577	3.1
299.23633	1.6
309.11771	20.7
325.11249	3.4
326.11453	0.9
327.11826	0.9
336.33389	0.5
381.22461	0.7
387.12671	1.3
393.91220	0.5
395.24252	0.7
405.14001	3.1
407.32547	0.6
409.34549	1.7
411.36493	0.7
421.34619	8.8
423.32346	0.7
424.32709	1.4
425.33167	1.1
439.35687	22.8
440.35825	0.4
441.16016	3.4
441.33118	0.6
442.33374	0.7
451.31882	2.0
452.32312	2.8
453.32666	1.1
457.15390	0.8
457.36734	27.2
458.37057	0.6
469.33087	18.7
469.76865	0.6
470.33435	19.2
471.33804	14.2
487.34094	2.9
488.34412	2.8
489.34586	2.1
517.29486	0.5
553.38629	1.1
567.40320	0.6
571.39642	1.9
585.41656	3.0
589.41406	2.6
589.48895	0.5
603.41852	2.0
733.44226	0.8
735.46167	1.0
747.46600	0.5
751.45886	1.2
897.51978	2.3
1059.55054	1.9
1108.16040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.7265
Annotation	Unknow
Peak:m/z	Relative Intensity
77.38327	1.2
80.82645	1.0
83.91245	1.0
87.04469	52.4
89.06033	100.0
91.05502	1.0
95.04974	1.9
96.15726	1.1
98.22694	1.8
105.07026	1.3
107.07059	2.2
113.06006	3.1
115.07555	1.5
117.06979	1.1
117.09186	3.2
121.06520	2.6
130.08603	2.6
131.07043	16.4
133.08607	77.0
135.08029	1.2
145.06519	1.5
147.08052	3.4
149.09637	2.5
157.08626	2.7
175.09686	16.5
175.11137	1.5
177.11220	31.7
191.10641	1.4
209.11748	1.3
219.12221	6.1
221.13857	6.4
233.19080	1.3
250.72000	1.3
259.20609	2.0
261.22360	1.2
263.15033	1.7
265.16510	1.9
277.78815	1.2
283.17523	2.8
303.23074	2.6
305.24826	1.2
307.17401	1.2
347.25595	1.5
352.26395	1.1
353.22009	1.4
453.33517	1.3
470.95102	1.4
754.45142	1.4
781.67633	1.2
1104.73340	5.3
1140.96021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.7257
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	0.9
79.05479	1.5
81.07069	0.5
83.04958	0.5
87.04467	44.2
89.06030	100.0
91.05479	9.7
91.06055	0.4
91.07603	0.6
93.07037	4.3
95.04407	0.4
95.04967	4.2
103.05459	2.5
105.04537	1.3
105.07018	2.8
107.04946	1.7
107.07057	1.9
107.08591	2.2
109.06538	1.2
113.05984	2.7
113.13291	0.7
115.05450	1.3
115.07558	1.5
115.18134	0.3
116.06284	0.3
117.07004	3.1
117.09131	6.3
118.07800	4.4
119.04944	4.1
119.08582	6.4
121.06504	20.0
121.10144	1.2
123.08063	1.3
129.07011	0.7
130.08627	2.4
131.07039	17.5
131.08612	0.6
133.08604	74.9
135.08061	5.0
135.10176	0.6
135.11684	1.8
145.06485	0.9
145.10124	0.4
147.08043	12.3
149.09618	5.4
149.13313	1.2
150.06761	5.3
151.09668	0.4
157.08618	1.2
159.10222	1.4
159.11716	2.3
161.09653	0.9
161.11707	1.8
163.07555	0.9
163.11211	2.1
165.09109	5.5
167.10625	2.0
173.09630	1.1
175.09669	13.6
175.11172	1.0
177.11226	29.6
177.12669	2.0
179.10664	0.4
179.12820	0.4
189.09093	0.3
191.10651	3.3
193.10730	0.5
193.12279	2.8
201.11237	1.0
207.10187	0.8
207.13716	0.4
209.11720	1.9
211.13295	3.4
217.12297	0.8
217.17021	0.5
219.12245	5.3
219.14168	0.4
221.13841	6.7
223.15337	0.5
231.17517	0.8
233.18996	21.5
235.13261	3.1
237.13150	0.7
239.14990	1.1
242.90585	0.3
247.20593	1.4
253.14584	0.6
255.15903	2.9
257.19101	0.3
259.20560	4.9
261.14853	0.5
261.22113	0.5
263.14969	1.1
265.16464	1.9
267.18045	0.4
275.20187	1.3
275.23685	1.9
277.21622	28.6
279.15970	1.5
283.17389	2.3
289.16428	0.3
299.18527	1.7
303.23187	3.6
305.24774	0.5
307.17630	0.5
309.19003	1.9
311.20563	0.4
319.22647	1.7
321.24246	8.1
323.18652	0.9
327.20322	1.1
333.62769	0.3
343.21365	0.6
347.25833	0.5
351.20480	0.5
353.21634	1.9
365.26971	0.5
367.21277	0.4
371.22821	0.4
387.23788	0.3
397.24295	1.5
407.27496	0.5
409.29819	0.4
441.27243	1.0
443.28397	0.4
485.29977	0.6
529.32025	0.6
573.35065	0.6
599.33398	0.3
705.41608	0.3
975.57513	0.4
1087.70044	6.4
1104.72559	29.9
1105.72693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03932	0.4
79.05487	2.6
81.03415	4.1
81.03838	0.4
81.07054	5.1
83.01334	0.3
83.04977	25.0
83.08614	0.9
85.02900	100.0
85.06540	0.4
86.03210	0.3
86.06054	0.3
87.04466	3.6
91.03944	1.0
91.05465	3.2
91.05977	0.4
93.07044	6.6
95.01353	0.3
95.04958	3.2
95.08602	10.6
97.02887	43.0
97.06514	0.6
97.10146	0.9
97.93459	0.3
98.22648	0.5
99.04453	3.1
101.02394	0.3
101.06004	1.0
103.03938	2.9
105.07023	5.4
107.04929	0.6
107.08591	8.5
109.02872	4.2
109.06512	0.9
109.10155	8.1
111.04437	20.5
111.08099	0.3
111.11746	0.3
113.02356	1.1
113.05996	1.3
115.03925	20.8
117.05496	0.4
117.06979	1.2
119.04917	0.5
119.08577	6.1
121.02837	0.3
121.06508	0.7
121.10141	10.1
123.04445	0.9
123.08054	0.6
123.11697	2.9
125.02370	0.5
125.05976	0.5
125.09570	0.2
127.03910	13.7
128.06235	0.3
129.05473	39.6
131.08569	3.4
133.04958	10.4
133.06526	0.6
133.10120	3.6
135.04468	0.8
135.08066	0.3
135.11682	6.5
137.05978	0.8
137.09576	0.3
137.13243	1.6
139.03908	4.1
141.05482	0.5
141.06978	0.3
142.07797	0.7
143.03406	0.3
143.06996	0.3
143.08560	2.3
145.04951	12.4
145.10100	4.3
147.06516	22.4
147.11688	3.3
147.88908	0.3
149.04442	0.8
149.06042	0.5
149.09615	0.3
149.13235	5.1
151.03885	1.5
151.07579	0.5
151.14851	0.4
153.05461	1.1
155.08568	1.2
156.09314	0.5
157.04945	1.7
157.10117	3.5
158.10774	0.4
159.06496	0.9
159.08078	0.8
159.11682	5.2
160.08821	0.4
161.09642	1.6
161.13263	2.5
163.03891	0.4
163.06009	4.9
163.07359	0.4
163.11180	0.3
163.14812	4.0
165.05467	0.8
165.07578	2.1
167.06976	0.3
169.04956	4.1
169.10156	1.3
170.10939	0.3
171.06512	1.9
171.11671	3.0
172.08842	0.3
173.04413	0.3
173.09660	0.7
173.13255	5.9
174.41866	0.3
175.05977	0.5
175.11188	2.4
175.14813	1.7
177.05513	0.3
177.12732	0.4
177.16376	0.9
179.07028	0.7
181.04921	0.6
183.06557	0.9
183.11646	1.5
185.09560	0.3
185.13239	1.6
187.05992	1.3
187.11168	1.2
187.14816	2.0
189.07597	0.3
189.12686	1.5
189.16362	2.5
191.07016	0.4
191.17937	22.4
193.04968	0.8
193.12140	0.3
195.06430	1.2
195.11653	0.4
197.13220	1.9
199.05971	1.3
199.11180	0.9
199.14819	1.0
201.12729	3.7
201.16408	1.3
203.10608	0.8
203.14349	0.7
203.17935	5.2
205.15828	0.3
205.19542	2.7
207.06519	1.0
207.17438	0.3
209.08127	0.3
209.13283	0.6
211.06049	0.7
211.14810	0.4
213.07549	1.1
213.12775	0.3
213.16345	0.6
215.14311	2.2
215.17975	1.1
217.07077	1.1
217.12248	1.5
217.15894	0.7
217.19545	1.3
219.13771	1.8
219.21104	0.3
221.13206	0.4
223.05981	3.3
225.05312	0.6
225.07553	12.9
225.16306	0.5
227.17909	0.5
229.07047	0.4
229.12234	0.8
229.15834	0.3
229.19516	0.5
231.08640	1.0
231.13731	0.4
231.17380	0.3
233.15401	1.2
237.07603	2.9
239.17865	0.4
241.07051	4.0
241.15793	0.6
241.19475	0.4
243.08635	14.0
243.13774	0.5
245.15372	0.4
247.13190	0.4
253.19550	0.4
255.08638	4.7
257.22495	0.3
259.08124	11.0
259.16992	0.4
261.09702	7.9
261.14520	1.1
261.18469	0.3
273.09674	12.3
277.09128	2.1
279.10739	38.8
291.10620	1.4
295.10233	11.4
302.17062	0.3
309.11780	21.3
310.11920	0.3
325.11429	1.1
351.10822	0.7
369.11838	0.7
373.23474	0.3
387.12823	2.2
387.30441	0.3
405.13895	3.3
405.31567	2.2
423.14664	0.5
423.32477	3.2
425.34036	0.5
433.30896	0.9
441.15988	3.2
441.27667	0.3
441.33539	2.5
451.32086	6.2
452.31924	0.3
467.31570	0.6
469.33109	56.9
470.33292	1.5
471.16928	0.4
487.34222	5.4
551.36749	0.7
561.35822	0.3
565.34955	0.4
569.38159	0.5
579.36578	1.7
583.35504	0.4
587.39154	0.5
594.02563	0.3
597.37701	2.8
601.37451	1.2
615.38977	3.2
690.50024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	0.4
81.03421	3.1
87.65941	0.4
95.04982	1.2
99.04443	0.8
105.03345	1.0
107.04925	0.6
109.02866	3.9
111.00797	5.5
111.04456	1.4
119.04890	0.8
121.02875	1.6
123.04425	9.6
123.05271	0.6
125.02338	0.6
127.03915	67.9
129.06967	0.6
131.04939	0.7
133.02863	2.4
135.04416	0.7
139.03900	100.0
143.03450	0.7
147.04395	4.7
149.02315	1.9
149.05975	0.9
151.03906	31.7
153.01826	8.6
153.02997	0.4
155.03392	3.7
157.06493	0.7
159.04422	0.8
161.02303	0.5
161.06017	0.6
163.03903	7.3
165.05472	1.1
167.03357	2.2
171.04379	0.9
173.02335	0.4
173.05980	1.0
175.03912	8.7
177.05452	4.5
179.03394	30.5
180.03745	0.6
181.04958	1.7
183.04381	0.9
185.05971	1.0
187.03931	1.2
189.05461	2.2
191.03380	4.8
191.06953	0.5
193.04965	2.5
197.05940	1.4
199.03935	2.8
201.05428	3.1
203.03391	15.8
203.05299	0.8
205.04945	4.4
213.05457	3.6
215.03468	0.9
217.04945	4.5
219.06493	1.1
223.02307	1.1
225.05461	1.2
225.20894	0.4
227.03378	0.7
229.05008	3.0
231.02843	0.5
231.06476	2.5
233.04436	4.3
241.04915	1.7
245.04453	11.2
247.02386	0.4
247.06000	1.1
251.05525	1.2
253.05141	0.9
257.01907	0.6
257.04443	8.7
258.04996	0.5
259.06000	2.4
263.05518	25.0
269.04428	5.1
271.06046	3.7
275.05508	7.3
277.07175	0.9
281.04318	0.9
283.06049	0.5
287.05493	38.8
289.07053	18.2
289.10300	0.7
295.05988	0.8
299.05481	17.6
301.07086	0.7
305.06552	26.2
307.08014	0.6
311.05286	0.7
313.06906	0.6
317.06540	19.4
323.05356	1.4
333.06436	0.5
339.08560	0.5
341.06619	0.6
365.06586	1.0
389.06424	1.5
395.07498	0.7
407.07626	6.8
425.08691	28.7
437.08459	1.4
443.09750	19.8
449.08295	0.7
455.08939	0.5
459.02908	0.9
459.09238	17.3
467.10037	2.0
575.11353	1.2
577.09357	0.7
593.12415	1.3
595.01831	0.6
595.10815	12.3
645.23083	0.4
674.04370	0.5
763.14923	3.1
786.56714	0.4
796.71735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05502	2.0
81.03413	6.6
81.07040	6.2
81.46629	0.9
85.02904	100.0
87.04475	4.6
91.03961	5.1
91.05477	3.1
91.48607	1.1
93.07048	5.4
95.08605	9.8
97.02891	69.2
97.10227	1.3
99.04456	4.4
103.03965	3.9
105.07035	4.3
107.08598	6.5
109.02889	8.4
109.10159	6.4
115.03937	22.6
119.08598	2.9
121.10161	5.5
121.68700	0.9
123.11716	2.6
127.03909	34.1
130.51457	0.9
131.08572	1.9
133.03951	2.0
133.04965	36.2
133.10164	3.2
135.11699	5.7
137.13272	1.1
143.08627	1.4
145.04958	52.1
145.10143	4.2
147.11710	3.2
149.13258	4.6
151.04002	1.1
157.10193	2.3
159.11731	3.1
161.13226	2.4
163.06020	25.9
163.14803	2.2
169.10124	1.5
171.11725	2.3
173.13269	2.3
174.35568	1.1
177.16377	1.2
185.13237	1.7
187.14799	2.0
189.16336	2.4
191.17934	5.7
193.05011	1.9
199.06091	1.8
199.14816	1.8
201.12714	1.1
201.16409	2.0
203.14326	1.6
203.17946	1.7
205.19531	2.0
207.17432	2.6
217.07108	2.9
217.15887	1.2
223.05934	5.8
225.85001	1.2
229.15881	1.5
229.19514	1.4
233.15451	1.2
241.07071	9.9
245.15367	1.1
259.08145	30.8
263.16382	5.8
277.09195	9.4
289.09189	3.2
295.10242	70.8
325.11288	29.3
419.32748	5.0
421.13437	1.2
437.34204	20.4
455.35217	34.9
457.15558	2.7
587.39111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	3.6
81.03409	3.2
81.07053	6.9
83.04977	24.0
83.08601	1.6
85.02898	100.0
87.04462	3.2
91.03971	1.1
91.05455	4.3
93.07042	7.7
95.04971	2.1
95.08598	13.9
97.02886	44.4
97.06509	0.6
97.10173	0.6
99.04464	3.5
101.02406	0.7
101.06033	1.0
102.96200	0.5
103.03929	2.8
105.07012	6.9
107.08591	9.6
109.02872	3.8
109.06533	1.0
109.10150	7.0
111.03664	1.1
111.04435	21.0
113.02345	1.0
113.05988	1.6
115.03925	20.9
117.07022	1.9
119.08570	7.5
121.06519	0.6
121.10133	10.2
123.04424	1.0
123.11693	4.1
124.85088	0.5
125.05939	0.6
127.03910	13.4
129.05473	37.9
129.07024	1.3
131.04820	0.8
131.08559	5.9
133.04962	9.7
133.06511	0.6
133.10118	6.0
135.04420	1.3
135.05431	0.5
135.08070	1.1
135.11693	8.1
137.05942	1.1
137.13260	2.6
139.03886	5.1
142.07837	0.9
143.03348	0.6
143.08572	3.7
145.04947	12.8
145.06534	0.7
145.10121	9.7
147.06508	20.5
147.11673	5.1
148.06728	0.5
149.04468	1.2
149.05956	0.6
149.13251	4.8
151.03897	1.7
151.07588	0.5
153.05441	1.5
155.08604	0.7
157.04962	1.3
157.10112	5.8
159.08012	0.7
159.11691	7.7
161.09598	2.3
161.13231	4.2
163.06007	4.6
163.07335	0.6
163.14804	3.1
165.05481	1.2
165.07588	2.2
169.05014	4.1
169.10161	0.7
171.05132	0.6
171.06572	2.2
171.11642	3.2
173.09668	0.6
173.13245	6.6
175.06142	0.5
175.11255	1.4
175.14850	2.9
177.12814	0.7
177.16364	1.2
179.07063	0.9
181.04994	1.1
183.06581	0.9
183.11702	1.6
185.13225	6.1
187.06067	1.6
187.11090	0.6
187.14807	7.2
189.12666	1.1
189.16344	4.7
191.10555	0.7
191.17931	41.7
193.04932	1.2
195.06516	1.6
195.11761	0.6
197.13242	1.6
199.06013	1.3
199.14796	8.8
201.12793	1.2
201.16379	6.4
203.14320	5.5
203.17928	5.9
205.12239	1.1
205.15897	1.1
205.19504	3.8
207.06577	1.4
209.13287	0.7
213.12709	0.6
213.16435	1.5
215.14320	1.1
215.17972	1.0
217.07103	0.9
217.15833	6.2
217.19551	1.8
219.13783	5.0
219.17320	0.7
223.06058	2.5
225.07565	14.3
227.17964	1.1
231.08688	1.7
231.13770	1.6
231.21179	0.8
233.15399	1.2
235.16905	1.1
237.07541	2.4
239.18001	1.2
241.07083	3.4
241.19540	0.7
243.08635	14.1
245.15346	3.2
245.22717	0.9
247.16763	0.7
255.08569	5.2
259.08127	10.6
261.09680	6.3
263.16327	2.9
273.09671	12.0
273.12424	1.0
277.09232	1.9
279.10736	39.5
281.17529	1.6
285.18304	0.5
291.10641	1.8
295.10229	10.6
309.11765	21.3
309.15369	1.1
323.22226	0.7
325.11359	1.3
351.10696	1.0
369.11768	0.7
387.12857	1.7
389.31882	1.0
405.13617	3.0
407.32932	4.5
409.34821	1.1
423.32645	1.4
425.34055	5.7
435.32614	6.1
441.16116	3.3
441.33844	1.0
443.35211	3.5
453.27307	1.0
453.33667	18.2
469.32217	0.6
471.34686	84.8
472.35083	1.9
481.16238	0.6
489.35764	8.2
563.37244	1.2
567.36688	0.9
581.38123	1.9
585.37787	1.2
599.39148	1.7
603.38708	5.0
617.40479	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	1108.5905
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	3.7
81.03416	3.3
81.07063	9.4
83.04531	1.8
83.04984	26.6
83.08598	1.6
85.02905	100.0
85.83857	1.0
87.04463	3.0
91.03960	1.4
91.05475	6.5
93.07053	9.9
95.04916	1.5
95.08609	12.3
97.02891	48.8
99.04452	3.6
101.06039	1.3
103.03964	3.1
105.07018	10.8
107.08595	13.2
109.02866	4.2
109.10154	7.9
111.04445	19.8
113.05992	1.2
115.03928	17.8
117.06995	2.1
117.17449	1.1
119.08591	12.0
121.06561	1.2
121.10140	9.0
123.11758	2.6
127.03915	13.6
128.06221	1.2
129.05476	37.1
129.06982	2.4
131.08563	5.3
133.04956	10.6
133.10150	9.7
135.08017	1.8
135.11679	11.9
137.05940	1.4
137.13278	2.3
139.03911	4.9
142.07770	1.1
143.08582	2.9
145.04948	12.4
145.10103	7.2
147.06509	20.3
147.11670	8.0
149.04398	1.5
149.13261	4.8
151.03909	1.7
153.05423	1.4
155.08505	1.8
157.10117	4.7
159.11665	6.9
161.09593	2.8
161.13290	3.6
163.05998	5.0
163.14758	2.3
165.07582	2.1
169.04953	3.8
169.10167	1.8
171.06474	2.2
171.11705	4.6
173.13214	5.7
175.11169	1.7
175.14827	3.5
183.11690	1.6
185.13312	5.6
187.14784	2.8
189.12724	2.2
189.16368	17.3
191.14348	1.4
191.17921	9.8
197.13206	2.2
199.14777	2.1
201.12836	2.3
203.14227	3.2
203.17940	3.9
207.06557	1.2
207.17436	9.7
209.13214	1.1
213.12790	2.7
223.05948	3.2
225.07561	15.2
227.14282	3.2
229.19374	1.2
231.13802	3.9
237.07597	1.6
241.07085	4.7
243.08652	15.1
249.14850	3.3
255.08646	5.0
259.08133	11.9
261.09729	9.0
273.09680	12.8
279.10730	53.3
295.10254	13.5
309.11786	23.9
325.11008	1.5
387.12912	1.8
405.13943	3.8
405.31451	2.0
407.33423	1.9
417.31439	4.0
423.32578	4.0
425.34537	1.4
435.32538	15.7
441.15881	4.4
453.33658	38.9
471.34720	74.7
472.35052	2.4
487.34073	1.7
489.35733	77.9
490.35806	2.0
585.38074	1.9
599.39240	1.6
603.38428	4.4
617.40070	1.6
621.40186	7.4
738.28973	1.1
783.45575	1.4
1120.01636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03909	0.4
79.05486	3.6
81.03410	3.4
81.07053	6.5
83.04973	24.8
83.08598	1.3
85.02895	100.0
85.53023	0.3
87.04473	3.1
91.03951	0.9
91.05463	3.9
93.07038	6.9
95.04958	3.1
95.08595	12.6
97.02883	42.6
97.06494	0.7
97.10172	0.8
99.04441	3.5
101.02395	0.5
101.06023	0.9
103.03937	3.4
103.05441	0.4
105.04557	0.4
105.07027	6.6
107.04942	0.7
107.08579	8.0
109.02863	4.0
109.06517	0.7
109.10144	6.8
111.04433	21.4
113.02378	0.9
113.05993	1.7
115.03919	18.0
117.05576	0.3
117.06995	1.5
119.04936	0.4
119.08564	6.2
121.06493	0.7
121.10133	9.1
121.10983	0.6
123.04440	1.0
123.08044	0.8
123.10986	0.3
123.11717	2.0
125.02342	0.5
125.05987	0.9
127.03898	12.9
128.06203	0.8
129.05464	41.0
129.07039	1.0
130.07762	0.4
131.08554	3.3
133.04953	10.6
133.10106	4.5
135.04408	0.8
135.08061	0.6
135.11681	5.0
137.05923	0.4
137.13222	3.0
139.03885	4.7
141.05440	0.8
141.07011	0.6
142.07788	0.7
143.03395	0.6
143.08549	2.9
144.09302	0.7
145.04942	12.3
145.10109	6.9
146.50130	0.3
147.06506	24.3
147.11674	3.2
149.04446	1.1
149.05966	0.6
149.13237	4.2
151.03894	2.5
151.07481	0.5
151.14729	0.3
153.05486	1.3
155.08578	0.9
156.09314	0.5
157.04958	2.0
157.10117	3.4
158.10918	0.4
159.06525	1.1
159.08040	0.4
159.11678	7.1
159.12950	0.6
159.67386	0.3
161.09648	2.2
161.13239	3.9
163.03911	0.7
163.06012	5.2
163.14799	2.8
165.05461	1.0
165.07600	1.9
167.07130	0.3
169.04919	3.5
169.10106	1.2
170.10785	0.4
171.06557	2.2
171.07840	0.5
171.11598	1.9
173.09680	0.5
173.13269	3.7
173.92586	0.3
175.06006	0.6
175.11200	0.8
175.14760	2.0
177.05516	0.4
177.09160	0.5
177.12737	1.3
177.16402	1.3
179.07034	0.8
179.10643	0.4
181.04912	0.7
181.10071	0.4
183.06586	1.0
183.11681	1.3
185.13274	1.9
187.05974	1.4
187.11150	1.1
187.14835	1.8
189.12668	1.4
189.16367	2.6
191.14304	0.6
191.17921	14.9
193.04982	1.3
195.06480	1.3
195.11696	0.5
197.13277	1.0
199.05978	1.4
199.11108	0.6
199.14810	1.7
201.07565	0.5
201.12726	2.0
201.16393	1.3
203.14299	1.3
203.17931	3.4
205.12257	1.5
205.19463	1.4
207.06479	0.7
207.13783	0.6
207.17426	0.5
209.13199	0.5
211.06018	0.6
211.14780	0.6
213.07523	1.5
213.12671	0.4
213.16353	0.7
215.14330	1.0
215.17894	0.8
217.07095	1.0
217.12244	0.9
217.15913	0.8
217.19522	1.0
219.13702	0.4
219.21042	0.4
223.05989	2.8
225.07553	13.9
225.16341	0.5
227.14371	0.9
227.17963	0.5
229.15894	0.5
229.19507	1.7
231.08687	0.9
231.13705	0.5
231.21141	0.7
237.07552	2.3
239.17953	0.6
241.07066	3.5
241.19341	0.4
243.08614	16.1
243.13828	0.5
245.15433	1.3
247.16876	0.4
247.20584	1.3
251.17999	0.4
255.08640	5.5
255.17361	0.4
259.08109	10.7
259.10873	0.5
261.09671	9.0
261.14902	0.9
261.18610	0.4
263.16144	0.4
273.09671	13.0
277.09161	2.1
279.10721	53.4
280.11072	0.4
289.09256	0.4
291.10733	2.3
295.10214	14.9
309.11758	27.4
325.11438	1.4
351.10794	1.2
357.24142	0.4
369.11658	0.9
373.29224	0.3
387.12793	2.1
389.31705	0.4
391.29794	0.7
405.13910	4.5
407.33139	2.1
409.30933	7.0
417.31393	1.8
423.14902	0.4
425.34277	1.6
435.32568	5.4
441.16037	6.2
453.33603	36.7
454.33850	1.0
471.16806	0.4
471.34650	11.6
563.37207	0.7
567.36932	0.4
581.38361	1.4
585.37671	1.0
599.39410	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.5903
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03907	0.7
79.05482	3.2
81.03419	3.7
81.07050	8.7
83.04978	23.5
83.08611	1.3
85.02899	100.0
86.03236	0.4
87.04474	3.5
91.03955	1.0
91.05471	4.1
93.07037	6.8
95.04967	2.6
95.08604	14.4
95.09218	0.7
97.02888	44.1
97.06525	0.6
97.10153	0.9
99.04458	3.5
101.02357	0.4
101.06012	0.6
103.03937	3.2
105.07026	8.4
107.04962	0.8
107.08591	9.0
109.02864	4.2
109.06531	0.8
109.10166	6.8
111.04436	20.9
113.02349	1.3
113.06004	1.2
115.03925	18.9
115.05450	0.4
117.07040	1.5
119.08571	7.0
121.06509	0.6
121.10143	9.5
121.86171	0.4
123.04452	0.7
123.11700	3.4
125.02297	0.7
127.03908	12.6
128.06198	0.6
129.05473	38.0
129.07039	1.3
130.07834	0.6
131.08566	6.1
133.04958	9.8
133.06499	0.5
133.10127	5.2
135.04439	0.8
135.08032	0.8
135.11682	7.5
137.06001	0.5
137.13248	3.4
139.03902	4.9
141.06935	0.5
142.07837	1.1
143.08548	4.3
144.09325	0.4
145.04948	12.0
145.10115	14.3
147.06514	22.5
147.11679	4.8
148.54672	0.4
149.04451	0.8
149.05983	0.8
149.13240	4.3
151.03900	1.6
151.07520	0.7
153.05482	1.4
155.08504	0.9
156.09348	0.5
157.04965	1.3
157.10132	5.3
159.06564	0.5
159.08020	0.6
159.11681	7.9
159.12953	0.6
161.06023	0.4
161.09645	2.6
161.13258	4.6
163.05994	5.3
163.14813	3.5
165.05476	1.1
165.07611	2.2
165.08801	0.4
169.04935	4.3
169.10175	1.3
170.10927	0.6
171.06479	2.2
171.11652	3.5
173.13257	6.0
175.06000	0.7
175.07404	0.4
175.11198	1.7
175.14813	2.8
177.16426	1.4
179.07175	0.7
181.05002	0.7
183.06479	0.7
183.11641	2.0
185.13237	7.5
187.06024	1.3
187.11163	0.8
187.14804	8.3
189.09097	0.7
189.12755	1.3
189.16344	4.6
191.17935	42.3
193.04959	1.0
193.15750	0.5
195.06551	1.3
197.13258	1.0
199.06090	1.2
199.14796	9.8
201.12767	1.2
201.16383	6.2
203.14319	9.0
203.17943	6.7
205.12291	1.3
205.15894	0.5
205.19472	2.3
207.06555	0.9
207.17418	0.7
209.13377	0.6
211.06004	0.6
211.14810	0.7
213.07561	1.1
213.12759	1.1
213.16394	1.1
215.14339	1.1
215.18010	1.1
217.07056	1.3
217.12393	0.5
217.15863	7.2
217.19437	2.4
219.13791	6.9
219.17284	0.5
219.21164	1.2
223.06078	3.6
223.08081	0.6
225.07571	13.4
225.16338	0.8
227.14250	0.8
227.17992	1.2
229.15990	0.9
229.19513	1.0
231.08673	1.3
231.13828	1.7
231.17555	0.6
231.21042	0.5
233.15358	1.9
235.13278	0.5
235.16974	1.3
237.07564	2.1
239.17953	1.1
241.07062	3.7
241.19467	0.7
243.08633	13.8
243.17415	0.4
245.15463	3.9
245.19064	0.8
247.16959	0.5
249.14894	1.4
253.19510	0.6
255.08640	4.4
255.21150	0.7
257.19043	0.5
259.08133	10.7
261.09708	7.7
263.16406	2.9
273.09689	11.2
276.66989	0.4
277.09207	1.2
279.10733	39.3
281.17523	1.3
285.22101	0.6
289.08966	0.4
291.10770	1.5
295.10236	10.2
309.11777	21.7
315.19440	0.5
323.22186	0.5
325.11288	1.5
351.10748	0.8
369.11697	0.7
377.32257	0.8
387.12903	2.3
389.32004	0.9
391.33624	0.9
405.13971	2.5
407.33051	5.2
409.34686	1.3
423.32715	1.3
425.34116	4.9
427.35660	0.8
435.32584	5.8
441.16055	2.4
441.33746	2.1
443.35065	2.9
453.33624	21.6
454.33774	0.5
471.34695	81.8
472.35150	1.6
489.35623	7.6
553.38568	0.5
563.37091	1.2
567.36951	0.8
581.38239	1.4
585.37671	1.0
599.39587	1.4
603.38971	6.9
617.40485	6.2
633.07819	0.5
713.43146	0.5
961.35681	0.4
1117.37805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03886	0.3
79.05498	2.3
81.03414	3.9
81.07051	8.4
83.04977	23.5
83.08610	1.8
85.02900	100.0
86.03249	0.4
87.04462	3.2
91.03970	1.5
91.05487	2.6
93.06455	0.4
93.07040	5.7
95.04961	2.4
95.08601	11.3
97.02888	43.7
97.06525	0.7
97.10142	0.6
99.04451	3.4
101.02392	0.5
101.06014	1.0
103.03471	0.2
103.03941	2.6
103.05473	0.4
105.07024	5.4
105.67877	0.3
107.04968	0.8
107.08591	7.0
109.02868	3.8
109.06515	0.6
109.10152	7.6
111.04438	22.0
111.11709	0.3
113.02358	0.8
113.06002	1.4
115.03927	19.4
117.07028	0.8
119.08564	6.5
121.06483	0.5
121.10138	7.2
123.04408	0.9
123.11694	3.6
125.02359	0.8
125.05952	0.5
127.03909	12.8
128.06267	0.6
129.05469	38.7
129.07045	1.0
130.07780	0.3
131.08563	4.4
133.04958	9.0
133.10123	4.3
135.04372	0.8
135.08049	0.8
135.11688	6.1
137.05945	0.8
137.13249	2.9
139.03874	4.4
141.05479	0.5
141.07019	0.3
141.54716	0.3
142.07808	0.7
143.03392	0.6
143.08559	2.9
145.04950	12.4
145.10117	7.8
147.06512	21.1
147.07918	0.7
147.11670	3.9
149.04382	0.8
149.05949	0.8
149.13264	3.5
151.03888	1.5
151.07544	0.4
151.11208	0.3
153.05470	1.4
153.06746	0.3
155.08505	0.6
156.09404	0.3
157.04984	1.5
157.10133	4.3
159.06607	0.5
159.08041	1.3
159.11682	4.9
161.09627	2.5
161.13213	3.1
163.03860	0.7
163.06026	4.5
163.07367	0.5
163.14804	2.7
165.05463	1.0
165.07565	1.8
167.06992	0.4
168.09279	0.5
169.04953	3.3
169.10126	1.2
170.10959	0.4
171.06535	2.5
171.07951	0.6
171.11679	1.9
172.08810	0.3
173.04488	0.5
173.09656	0.4
173.13245	5.6
175.06075	0.3
175.11162	1.5
175.14813	2.4
177.05411	0.5
177.16360	1.2
179.07027	0.7
179.14146	0.4
179.17848	0.4
181.04936	0.9
183.06569	0.5
183.11685	1.5
185.09668	1.0
185.13249	5.4
187.06012	1.2
187.11189	0.5
187.14832	4.9
189.09074	0.3
189.12773	0.8
189.16342	3.4
191.17934	29.9
193.04980	1.0
195.06520	1.2
197.07993	0.4
197.13245	1.0
199.06018	1.1
199.11079	0.4
199.14798	6.0
201.07567	0.4
201.12776	1.6
201.16385	5.4
203.14325	4.6
203.17934	4.6
205.12219	1.3
205.15662	0.5
205.19505	1.9
207.06500	1.0
211.14789	1.0
213.07594	1.1
213.12756	0.8
213.16412	0.8
215.14302	1.2
215.17961	0.9
217.06995	1.0
217.15884	5.1
217.19397	2.4
219.13782	8.2
219.17223	0.5
219.21075	0.6
221.15373	0.6
223.06003	3.0
225.07564	13.9
227.14267	0.9
227.17995	0.4
229.06927	0.4
229.15773	0.9
229.19475	0.8
231.08569	1.1
231.13725	1.6
231.17328	0.3
231.21097	0.6
233.15353	1.6
235.16913	0.7
237.07497	2.4
241.07074	3.3
241.19496	0.5
243.08629	14.3
243.21077	0.5
245.15349	3.6
247.17065	0.5
249.14890	0.8
253.19777	0.3
255.08615	5.3
259.08121	8.9
261.09686	7.3
261.14911	0.3
263.16382	1.9
273.09671	11.9
273.18497	0.4
277.09204	1.6
279.10733	41.2
281.17532	0.8
291.10641	1.5
295.06894	0.6
295.10217	10.6
309.11774	21.0
325.11221	1.3
351.10712	0.8
369.11649	0.5
375.25546	0.3
377.32172	0.4
387.12759	1.6
389.32037	0.7
405.13919	2.7
407.33124	3.6
409.35013	0.4
423.32523	1.2
425.34079	4.8
427.35611	0.8
435.32596	5.4
441.16199	2.7
441.33731	2.4
443.35260	4.6
451.32495	0.4
453.33609	12.5
454.33557	0.4
469.33081	0.5
471.34683	64.0
472.34821	1.2
489.35767	7.6
553.38379	0.4
563.36591	0.6
567.36536	1.2
575.39325	0.5
581.38135	2.0
585.37561	0.5
589.40753	0.5
599.39398	1.3
603.38831	4.3
617.40472	6.2
633.39612	0.4
635.41187	0.3
713.42810	0.4
759.57141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03939	1.7
54.23668	0.5
55.01863	1.8
55.05509	34.1
59.84798	0.6
65.03941	4.1
69.04555	1.3
70.06590	0.6
70.70381	0.8
70.70714	0.7
82.65753	0.5
83.04979	27.9
83.06086	1.3
84.05309	0.8
84.08095	0.6
85.02884	0.8
88.00496	0.7
92.65253	0.6
93.04507	0.9
95.06067	0.7
111.04438	100.0
111.05522	4.0
111.09207	1.7
112.04008	1.0
112.04782	2.0
112.07620	2.5
112.08747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71675	4.7
53.03933	7.6
55.01870	12.6
55.05517	40.9
55.34688	4.7
56.05034	6.6
65.03929	8.5
68.05035	8.3
68.71115	6.0
69.03438	32.9
69.04552	9.5
69.07061	11.6
69.42171	13.8
69.42579	12.6
70.06595	12.8
70.95862	11.1
82.05312	20.8
83.04974	22.9
83.06094	40.5
83.08636	7.7
84.08141	10.2
88.00491	31.0
89.00249	7.8
91.05463	16.4
93.04523	7.2
93.07043	20.2
95.06087	17.7
97.00995	17.1
98.22713	12.1
111.04453	78.7
111.05578	88.5
111.06318	7.5
111.08089	100.0
111.09212	19.9
112.03940	16.1
112.07617	69.6
115.96442	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	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.08905	4.3
55.01873	10.1
55.05515	38.1
58.91404	4.7
58.97860	4.4
65.03941	4.4
67.05482	5.0
67.09267	3.9
68.05022	8.3
69.03438	21.8
69.04570	6.7
69.07066	10.8
69.14359	29.4
70.06594	10.1
70.94271	5.1
70.95875	10.2
82.05318	18.1
83.04971	15.2
83.06110	31.7
83.08605	9.9
83.52812	4.0
84.08142	13.3
88.00485	15.8
91.05487	14.7
93.04511	5.8
93.07040	19.3
95.06099	8.2
97.01007	12.4
111.04445	63.8
111.05588	57.3
111.06384	11.2
111.08078	100.0
111.09261	11.5
112.03995	8.1
112.07615	55.5
112.08360	5.7
112.08729	6.1
115.96460	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	1110.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04473	3.2
99.56999	0.4
102.20916	0.4
102.93531	0.4
129.05457	5.3
155.07024	100.0
173.08093	3.4
183.99843	0.5
215.09145	22.2
241.10701	15.6
259.11768	5.7
301.12833	15.4
319.13849	1.9
327.14352	6.9
327.26825	0.5
328.48044	0.5
345.15424	6.2
387.16446	6.0
405.17398	1.4
413.17926	1.9
431.19061	2.6
473.19992	2.4
517.22247	0.9
559.23767	1.1
580.58527	0.5
750.14618	0.5
824.75690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
77.18318	0.2
85.02881	0.9
92.04322	0.2
97.02882	0.3
100.37984	0.2
101.91090	0.2
118.56122	0.2
120.20110	0.2
137.05940	0.2
139.81207	0.2
141.55702	0.2
155.03148	0.5
159.75146	0.2
169.04713	0.3
185.04247	0.5
245.06151	0.3
265.33902	0.2
275.07343	2.1
282.42322	0.2
317.08359	1.8
331.10028	0.6
335.09506	1.8
421.13110	3.1
463.14063	0.8
479.13852	1.2
481.15097	0.5
497.14661	2.2
625.19342	2.8
643.20605	3.1
741.41156	0.4
759.42273	0.7
803.41199	1.2
903.46014	0.2
921.47961	1.6
949.46564	0.4
965.46729	3.7
1049.51892	0.4
1067.53784	4.4
1111.52832	100.0
1112.52686	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	112.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.2
56.96566	0.1
58.51273	0.1
67.05499	0.3
68.05043	0.7
69.03432	3.2
69.04549	0.9
69.07088	0.2
69.78461	0.3
69.78815	0.2
70.06593	100.0
71.06303	0.3
71.06918	2.1
78.03441	0.1
82.05296	0.1
82.06588	0.2
83.05668	0.2
84.04498	0.2
84.06440	0.4
84.08154	1.2
85.07654	0.2
94.04079	0.2
95.02454	1.9
95.06096	1.0
96.04514	1.0
112.05103	11.2
112.05908	1.1
112.07617	7.4
112.08744	2.0
112.11177	0.1
112.89613	1.0
113.05445	0.2
113.07152	0.2
113.07954	0.2
113.10750	0.3
116.40260	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	1124.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
82.18578	0.6
87.04446	1.8
101.06004	2.4
129.05510	3.1
145.75949	0.6
155.07027	100.0
156.07382	0.7
173.08072	2.0
181.69196	0.7
187.09686	2.1
215.09143	23.4
241.10689	14.3
259.11771	4.1
259.14142	0.7
273.13239	1.3
286.83649	0.9
301.12811	14.1
319.13800	1.9
327.14322	6.7
345.15710	3.1
359.16995	0.9
387.16516	6.3
405.17441	1.1
431.19034	1.3
473.20193	1.7
717.67145	0.7
744.31964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1148.7531
Annotation	Unknow
Peak:m/z	Relative Intensity
79.75049	1.5
81.92394	1.9
87.04469	60.6
87.05013	3.0
89.06032	100.0
91.05476	2.3
95.17262	1.5
95.18034	1.4
113.06005	4.0
117.09122	1.7
121.06515	3.3
127.64218	1.4
130.08611	3.0
131.07028	14.1
131.88583	1.6
133.08609	70.0
147.08041	4.3
149.09753	1.8
166.14572	1.5
173.09599	2.5
175.09691	12.7
175.11159	2.5
177.11234	27.9
191.10689	2.7
216.97804	1.4
219.12286	6.8
221.13840	6.2
229.75784	1.4
233.19000	2.0
259.20593	4.2
265.16339	1.8
267.18005	1.6
267.85522	1.6
283.17490	2.3
303.23135	2.9
309.18982	1.7
309.45364	1.5
353.21725	1.8
1148.74158	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	1148.7522
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04964	0.6
87.04465	50.5
89.06029	100.0
91.05479	13.3
93.07041	6.3
95.04952	5.6
97.06516	0.8
103.05473	4.7
105.04510	1.5
105.07018	4.1
107.04963	1.7
107.07086	1.4
107.08582	4.3
109.06542	1.0
110.34281	0.4
112.93923	0.5
113.06008	3.8
113.13302	0.6
115.05457	1.7
115.07565	1.3
117.07008	4.2
117.09147	6.1
118.07798	6.5
119.04932	5.0
119.08585	6.8
121.06504	19.0
121.10149	1.3
123.08099	1.4
128.06161	0.4
129.07022	1.2
130.08636	2.8
130.88612	0.4
131.07037	17.9
133.08600	78.7
135.08029	5.6
135.11696	1.5
144.09334	0.4
145.06462	1.2
145.10121	0.5
147.08043	12.5
149.09633	5.9
149.13269	1.1
150.06743	6.1
150.07819	0.5
157.08597	0.8
159.10202	2.2
159.11598	2.5
161.09624	1.0
161.11717	2.6
162.10374	0.4
163.07500	0.7
163.11191	2.9
165.09096	5.4
167.10747	1.6
173.09581	1.0
175.09666	14.6
175.11133	1.2
177.11220	31.9
177.12605	1.9
179.10565	0.9
191.10687	4.2
193.10669	0.9
193.12175	3.0
201.11305	1.2
207.13971	0.4
209.11801	1.7
211.13293	2.6
217.17072	0.8
219.12274	5.4
221.13818	5.3
221.15536	0.5
223.15451	0.7
231.17398	0.5
233.18997	21.6
235.13336	2.6
237.13229	0.8
239.15010	1.4
247.20705	1.4
253.14453	0.6
255.15912	2.1
257.19183	0.7
259.20593	4.6
261.22412	0.5
263.14905	0.7
265.16626	1.9
267.18027	0.6
275.20255	1.2
275.23758	2.0
277.21619	27.0
279.15964	1.7
283.17548	2.4
299.18591	1.6
303.23059	3.0
305.24844	0.5
309.19202	1.8
311.20926	0.8
319.22690	2.5
321.24234	6.4
321.27768	0.7
327.20291	1.3
343.21356	1.0
351.20279	0.5
353.21875	1.8
355.23495	0.8
365.26886	0.7
371.22928	0.5
397.24493	1.0
441.27197	0.8
445.84079	0.5
485.29681	0.6
529.32275	1.0
573.34399	0.5
761.49963	0.6
1019.60724	0.6
1131.71924	5.1
1148.75159	27.5
1149.74902	1.3
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	Proline
Peak:m/z	Relative Intensity
50.85382	0.1
52.71891	0.1
63.12357	0.1
68.05022	0.2
69.63911	0.2
69.64284	0.2
69.93671	0.1
70.06590	100.0
71.06288	0.2
71.06918	1.8
77.30139	0.1
116.07090	14.5
116.10732	0.4
117.07426	0.3
133.09888	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	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05033	0.4
69.83707	0.3
69.84101	0.3
70.06593	100.0
71.06924	2.1
71.07284	0.2
89.85181	0.1
116.07091	14.4
116.10706	0.3
116.47514	0.1
117.07432	0.4
134.05283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.4
56.30843	5.8
56.96553	10.6
57.03440	80.7
58.06594	29.8
59.04998	20.2
59.07377	25.9
69.58035	29.2
70.06583	14.8
71.04984	55.7
71.06927	41.6
72.04524	27.8
72.08159	23.6
79.05505	9.3
81.07043	22.4
89.06035	9.8
89.82347	6.5
95.04964	21.9
98.97572	27.0
99.08080	8.1
105.04466	7.0
113.18736	6.2
115.05463	20.1
115.15641	6.0
116.98622	12.5
117.07005	32.5
117.09115	10.9
118.06548	25.1
118.08650	100.0
125.60439	6.6
134.99677	13.9
138.42273	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	1178.5958
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01337	1.5
83.04977	15.6
83.08603	1.9
85.02899	100.0
87.00825	35.4
87.04455	1.9
90.24693	0.6
91.03950	1.5
91.05465	7.4
93.07038	10.3
95.04967	6.8
95.08601	19.7
97.02886	84.4
97.06532	1.5
97.10156	1.1
99.04449	12.0
101.02390	1.6
101.06011	0.8
103.03934	6.3
103.05395	0.8
105.01861	54.5
105.04548	0.9
105.07014	7.5
107.04955	2.3
107.08581	12.4
109.02872	45.1
109.06483	1.6
109.10141	12.2
111.00788	0.7
111.04433	27.0
111.08092	0.8
113.02367	1.4
113.06012	1.3
115.03931	6.1
117.01845	2.0
117.06998	2.7
118.21017	0.7
119.04956	0.7
119.08578	5.8
121.02889	0.9
121.06494	1.8
121.10138	11.7
123.04408	5.3
123.08048	0.7
123.11706	5.7
125.02323	4.0
125.05980	1.2
127.03907	86.9
128.06236	0.8
129.01805	4.7
129.05460	8.4
129.06998	1.4
131.04907	1.1
131.08554	4.4
133.04944	1.0
133.10124	5.6
135.04399	2.9
135.08057	0.9
135.11697	10.0
137.02315	1.2
137.13266	5.7
139.03918	4.2
141.05484	0.8
142.07813	0.9
143.03479	1.4
143.08575	2.7
145.04951	28.1
145.10123	5.6
146.08043	0.5
147.02872	3.3
147.04411	0.8
147.06505	4.0
147.08069	0.9
147.11644	5.0
147.70779	0.6
149.05992	1.8
149.09607	0.8
149.13254	11.3
151.02809	0.8
151.03914	7.3
153.05447	2.1
155.03368	0.6
155.08539	1.3
156.09352	0.9
157.04915	1.4
157.10078	4.1
159.02870	12.2
159.08067	0.7
159.11676	5.8
161.09607	1.0
161.13287	4.1
163.03911	1.8
163.07472	0.7
163.14749	2.9
165.05463	1.8
169.04953	6.3
169.10094	2.0
171.02849	3.0
171.06560	0.9
171.11661	3.5
173.04471	0.7
173.09703	0.7
173.13264	5.1
175.03923	0.9
175.11197	1.0
175.14799	1.7
177.05467	2.0
177.12746	0.9
177.16371	1.9
181.04935	5.3
183.02873	0.7
183.06499	1.2
183.11699	1.7
185.04483	0.6
185.13258	2.1
187.06023	5.5
187.14816	3.4
189.03923	12.8
189.12648	1.3
189.16356	3.7
191.06993	0.7
191.14293	1.5
191.17934	7.7
193.04971	2.9
195.06555	1.0
197.13275	1.4
199.06036	2.2
199.14838	2.3
201.03886	1.0
201.12793	2.5
201.16333	3.4
203.14319	1.6
203.18022	3.0
205.04950	1.6
205.15842	0.9
205.19498	7.1
207.06514	0.7
207.13873	1.0
207.17409	1.6
211.06122	1.0
211.14783	1.1
213.03923	16.7
213.07303	0.7
213.16432	1.2
215.14363	1.9
215.17833	0.9
217.07047	1.6
217.12410	0.6
217.15924	1.1
217.19492	2.0
217.40678	0.7
219.13770	1.8
223.06009	14.6
225.07584	4.0
225.16396	0.8
227.14343	1.2
229.07025	1.1
229.15817	3.1
229.19504	1.3
231.04984	40.7
231.08611	1.5
231.21088	3.0
233.15375	3.0
237.07523	5.6
241.01192	0.6
241.07065	13.2
243.08783	2.9
243.21100	0.6
245.15428	1.6
245.22667	0.9
247.16914	2.9
249.06053	24.5
249.08664	1.2
251.16309	0.8
255.04959	1.9
255.08675	4.2
255.17601	0.6
259.08026	1.8
261.09576	1.2
263.16418	16.0
273.06039	32.3
273.09372	2.1
277.05548	1.0
279.10748	11.4
283.20596	0.7
285.06018	1.6
291.07147	0.8
303.07230	1.1
309.06046	4.3
309.11725	2.1
315.07288	1.1
315.10672	5.5
319.10257	4.2
323.07535	1.1
327.07092	10.5
341.08633	6.8
345.08136	31.7
351.10745	0.8
359.09738	12.0
359.26053	0.6
363.09186	82.9
369.11722	0.9
375.09048	1.0
377.10739	6.2
381.10242	21.1
393.10211	2.0
393.31458	0.8
395.11835	8.9
404.14502	0.7
407.33191	2.7
409.34778	0.8
411.11356	2.3
411.32382	1.3
419.33014	9.5
425.34042	2.2
437.10800	0.9
437.34189	23.2
455.11807	1.8
455.35196	51.3
473.12921	7.8
491.13867	2.9
509.15076	1.7
527.16058	2.3
539.86731	0.6
565.38397	1.0
583.39929	1.2
601.40393	0.8
776.82562	0.7
858.47522	0.6
975.43964	0.6
1059.25623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	3.0
53.03947	21.7
54.30562	2.0
58.06597	9.6
59.07376	5.9
72.08161	11.2
73.02919	2.5
77.03921	15.0
91.04948	3.0
91.05478	34.4
95.04968	93.6
96.05312	2.1
101.83540	2.0
105.04507	51.7
105.05195	3.7
106.74664	2.0
117.06989	2.1
118.06538	100.0
118.08651	25.8
119.06081	4.6
119.06848	5.0
119.08592	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.44406	1.2
51.02376	3.9
53.03949	17.8
58.06593	5.3
59.07378	5.6
72.08170	6.8
77.03934	14.6
81.03403	2.4
91.05481	12.5
95.04971	79.4
96.05273	1.5
97.13409	1.5
98.22704	3.6
104.62350	1.4
105.04528	43.8
107.40317	1.5
116.55043	1.7
117.06994	1.6
118.06549	100.0
118.08672	22.4
119.06850	3.2
119.08598	11.5
137.60103	1.6
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	Betaine
Peak:m/z	Relative Intensity
58.06601	21.9
59.05016	0.1
59.07384	24.7
60.07715	0.3
60.08159	0.1
70.01382	0.2
70.01722	0.2
70.06592	1.1
72.07271	0.2
72.08161	0.9
86.50517	0.1
90.40375	0.1
106.03198	0.1
108.73662	0.1
118.08659	100.0
118.71709	0.1
118.86832	0.1
119.08310	0.2
119.09003	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90306	8.8
69.90659	3.1
78.47054	2.8
91.05482	6.3
98.23393	3.6
99.02680	2.9
101.00874	37.1
112.86408	2.6
119.01923	100.0
119.05986	2.6
120.01989	8.2
125.10658	2.6
137.02953	29.8
138.03026	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03941	0.8
65.03941	2.0
67.05495	0.9
70.60378	0.6
75.93055	0.3
78.04704	0.4
79.05493	8.0
91.05477	100.0
92.05802	3.6
93.07037	4.4
95.04983	1.8
102.09216	0.4
102.23677	0.3
103.05464	6.6
104.06252	6.1
105.04527	1.1
105.19448	0.3
109.06484	0.4
115.05452	2.9
116.68145	0.3
117.07016	25.1
118.07359	1.3
119.06068	1.7
119.08573	71.8
120.04469	0.4
120.05574	1.3
120.08136	0.5
120.08895	3.1
120.71549	0.3
121.06499	0.6
134.85579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
65.03941	48.7
66.04278	0.8
71.42577	0.4
77.03941	0.4
79.05499	2.1
80.02628	0.4
91.05466	3.6
93.03403	9.8
93.04525	0.6
93.07030	4.9
95.04968	2.0
98.03683	0.7
103.05469	4.5
105.04517	1.2
105.07028	4.2
107.07328	3.7
111.04440	9.9
121.02878	100.0
121.03976	21.8
121.06488	6.5
121.10093	1.9
122.03194	3.2
122.06017	0.8
122.09656	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01873	0.5
55.05513	0.3
59.48351	0.3
65.03944	45.8
66.04270	1.3
77.03949	0.5
79.05498	2.3
91.05486	2.5
93.03410	10.6
93.04551	0.7
93.07050	3.6
94.03768	0.4
95.04987	1.3
98.03718	0.8
98.22690	0.7
103.05475	0.9
105.04534	0.7
105.07024	5.3
107.07346	2.5
111.04446	9.2
112.04819	0.3
114.15887	0.4
119.08588	0.6
121.02895	100.0
121.03992	21.9
121.06528	1.4
121.10159	3.3
122.03228	3.4
122.04234	0.6
122.06061	0.5
122.09664	4.6
123.08047	0.4
133.07681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01852	1.0
56.05054	0.8
65.03944	46.9
66.04261	1.1
70.56888	0.8
70.57209	0.6
77.03951	0.8
79.05500	3.7
83.29705	0.6
91.05482	8.8
93.03411	9.3
93.04536	1.7
93.07053	10.9
95.04983	4.8
98.03703	0.7
103.05488	7.2
104.07124	0.9
105.04498	3.0
105.07039	6.6
107.07369	3.7
111.04446	10.2
121.02875	100.0
121.03979	25.6
121.06493	11.5
121.10153	3.9
122.03179	3.4
122.06065	1.8
122.09668	9.9
123.08021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01596	1.4
51.02380	2.7
53.03950	11.6
55.01872	11.5
56.05025	3.8
64.24341	1.1
65.03939	15.1
69.29385	5.7
77.03930	10.2
78.04239	1.4
79.05490	13.9
80.04989	1.9
81.03404	2.9
81.04553	1.8
91.05478	100.0
92.05811	3.7
93.03411	2.4
93.04524	6.5
93.07042	70.8
94.07391	2.6
95.04967	56.6
98.22636	1.5
103.05460	23.6
104.07089	3.8
105.04510	28.5
105.07026	12.0
106.06534	2.6
107.07338	10.5
111.04404	2.9
119.60519	1.2
121.02868	25.3
121.03982	16.6
121.06503	83.3
121.10094	2.5
122.06012	4.3
122.06949	4.4
122.08181	3.1
122.09659	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01588	0.5
50.43832	0.4
51.02382	1.4
53.03950	6.5
55.01871	1.8
56.96575	0.7
57.03436	0.9
65.00638	0.8
65.03934	0.5
70.50568	0.8
70.50922	0.4
73.31383	0.4
77.03928	9.4
79.05505	0.7
81.03397	0.8
91.05481	50.1
92.05816	1.6
93.07044	53.8
94.07384	2.8
94.23289	0.4
95.04967	31.5
96.05284	0.8
102.04671	0.6
102.96862	0.5
103.05466	69.7
104.05795	2.9
105.04517	16.1
106.04858	0.7
119.04972	0.4
121.06505	100.0
122.06017	0.6
122.06819	3.7
122.09628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	1.7
53.03936	5.2
55.05509	7.0
56.05024	1.5
56.62135	1.1
57.03411	1.1
65.03927	6.3
67.05497	2.8
68.54534	1.1
69.63455	4.2
77.03906	4.1
79.05489	51.8
80.04996	1.1
80.05801	2.1
81.07047	3.7
91.05479	31.9
91.06049	2.1
93.03385	1.4
93.04515	3.8
93.07043	82.4
94.07381	3.7
95.04971	17.5
98.23389	1.4
103.04807	0.7
103.05458	19.6
104.07097	2.0
105.04513	10.3
105.07027	100.0
106.07906	7.8
107.07330	16.0
111.04434	1.6
119.08578	13.0
121.02861	14.0
121.03979	9.7
121.06519	8.4
121.10140	77.0
122.03194	1.4
122.06032	3.9
122.08096	1.1
122.09665	27.2
122.10471	3.1
123.08075	13.0
127.64422	1.2
133.07599	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03939	4.6
55.05260	1.2
55.05513	16.8
56.05040	1.8
62.12440	0.8
67.05507	6.0
69.18848	4.5
77.03931	4.1
79.05492	100.0
80.05819	3.1
80.06272	1.3
81.07041	1.8
91.04943	1.4
91.05482	21.2
93.04533	3.1
93.07043	83.8
94.07373	2.7
95.04966	17.7
103.05460	4.7
104.07126	1.4
105.04511	8.7
105.07033	14.5
107.07316	2.1
119.08623	1.8
121.02795	0.8
121.04009	3.3
121.06540	4.3
121.10143	21.6
122.06052	2.0
122.08243	0.9
122.09667	8.0
122.10468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02367	0.7
53.03950	4.0
55.01875	0.9
55.05512	5.6
56.05034	1.2
65.03945	1.8
67.05507	2.2
70.68744	1.6
77.03934	4.6
79.05495	37.1
80.05841	1.1
81.04552	0.9
81.07043	3.1
84.31389	0.7
91.05479	35.4
92.05803	1.2
93.04535	2.3
93.07046	100.0
94.07378	3.6
95.04973	17.6
103.05476	14.5
105.04518	10.4
105.07032	51.3
106.07884	4.6
106.08432	0.9
107.07337	10.5
119.08598	8.2
121.02877	1.7
121.04016	2.8
121.06528	9.2
121.10146	50.8
122.06065	2.5
122.07066	0.7
122.09674	19.4
122.10487	2.0
123.08063	4.6
133.07585	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.14759	1.0
53.03942	3.0
55.05497	3.9
55.21561	1.0
56.05026	2.2
56.73802	1.3
64.36377	1.0
65.03934	4.1
67.05531	1.4
70.09680	2.8
75.04096	1.0
75.44919	1.1
77.03915	3.0
79.05492	35.7
81.07046	1.3
81.99860	1.0
91.05489	21.5
93.04504	1.8
93.07044	45.6
94.07396	1.7
95.04967	14.1
103.05470	19.5
104.07092	1.8
105.04499	6.4
105.07027	100.0
106.07874	7.7
107.07343	10.3
111.04453	1.1
119.08575	12.5
120.08900	1.0
121.02919	5.8
121.03982	6.1
121.04780	1.2
121.06519	8.2
121.10144	65.0
122.06011	4.0
122.09667	21.5
122.10474	2.6
123.08083	13.1
133.07619	10.7
139.15134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02363	0.8
51.36178	0.7
53.03927	2.5
55.05506	1.0
56.05025	0.8
56.07190	0.8
61.40271	0.7
69.21082	1.5
69.21465	1.8
77.03918	1.8
79.05492	25.9
82.39301	0.7
91.05475	8.3
93.04533	5.2
93.07040	15.1
94.07370	0.8
95.04971	7.8
95.09406	0.7
98.22697	1.5
103.05470	16.2
104.05818	0.8
104.07050	0.8
105.04552	4.8
105.07025	100.0
106.07223	1.4
106.07910	6.2
119.08578	13.8
121.03996	7.4
121.06528	4.8
121.10142	78.2
122.08192	0.8
122.09646	3.7
122.10472	4.6
123.08063	15.2
133.07617	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03943	2.8
55.05506	1.5
56.05028	2.0
65.03966	1.2
67.05478	1.3
71.28345	1.2
77.03916	3.0
79.05497	35.7
80.05807	1.1
91.05480	16.8
93.04530	2.6
93.07049	23.8
95.04972	11.3
103.05479	14.3
104.07119	1.7
105.04528	6.1
105.07030	100.0
106.07929	6.0
107.04959	27.6
107.07343	5.7
119.08582	14.9
121.02892	3.1
121.03985	4.4
121.06514	18.8
121.10147	75.0
122.06020	2.8
122.07343	8.0
122.08174	1.5
122.09662	12.6
122.10493	3.0
122.96388	1.1
123.08079	13.5
133.07620	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.47744	0.8
53.03942	2.8
55.05498	1.4
65.03931	2.6
66.22115	0.8
70.29699	0.8
70.52977	1.7
77.03932	3.5
78.63096	0.8
79.05492	34.7
79.05951	1.9
91.05481	12.0
93.07037	21.4
94.07337	1.3
94.07873	1.1
95.04961	11.6
103.05476	16.3
105.04529	5.4
105.07028	100.0
106.07249	1.7
106.07935	4.3
107.04951	34.4
107.07324	2.3
113.21507	0.9
119.08584	13.2
121.02859	2.8
121.03999	2.2
121.06508	23.1
121.10139	79.0
122.06005	1.7
122.07290	14.3
122.09654	5.5
122.10498	3.2
123.08065	13.5
124.08440	0.9
133.07599	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	122.9248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75574	5.1
54.63011	4.8
70.45515	8.6
78.36818	4.6
78.43617	4.5
80.76523	4.8
81.03431	4.4
82.01443	12.5
100.02479	100.0
101.00877	11.5
117.29102	4.9
118.03516	59.4
119.01920	64.4
123.05556	14.9
123.15245	5.2
124.03999	5.4
137.02933	30.6
137.10538	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	1.4
57.03444	3.1
58.99869	1.8
61.02919	2.1
64.15955	0.6
68.02648	1.0
69.03425	3.4
69.76894	1.3
69.77280	1.2
70.99853	0.8
73.02927	2.5
77.00898	1.3
78.03471	1.2
78.52952	2.1
80.05022	5.5
80.52705	0.9
81.01915	1.4
81.03418	1.4
82.01443	18.7
82.99835	1.6
83.01527	1.0
85.02895	1.5
85.53728	0.8
88.02691	2.3
90.52951	1.0
91.76682	0.6
92.52712	0.8
93.01885	1.5
95.04967	5.7
96.04508	5.9
97.02892	2.0
98.22691	0.7
98.52666	1.4
100.02483	78.7
101.00882	26.9
101.02555	3.6
102.02369	2.6
103.02313	0.8
105.04550	0.8
106.02873	1.4
109.02915	0.6
111.02959	1.6
113.00899	1.6
115.02419	1.0
118.01189	1.2
118.03521	36.8
119.01918	100.0
119.03672	2.2
120.02046	1.1
120.03410	0.9
123.04420	3.1
123.05550	14.2
123.09216	1.0
124.02470	1.7
124.03941	11.8
124.07581	0.8
131.01894	4.5
133.03430	1.2
136.04550	1.3
137.01903	1.6
137.02957	29.6
142.03510	9.9
143.01941	1.3
144.01993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01877	0.7
57.03436	1.6
58.99886	1.6
61.02932	1.6
67.05515	1.9
68.29797	0.5
69.03427	2.3
71.29246	0.6
73.02919	1.2
77.00909	1.1
78.03461	4.4
78.85136	0.6
80.05019	22.0
81.03440	1.2
81.05809	0.6
81.07057	1.3
82.01447	16.7
82.01913	0.9
82.99853	2.1
83.01511	0.7
85.02919	0.6
86.52680	0.6
87.04453	0.8
88.02673	1.3
93.01912	1.0
95.04966	3.0
96.04498	18.6
97.02879	0.7
98.52675	0.6
100.02485	66.0
101.00879	21.8
101.01556	1.1
101.02571	3.3
102.02374	1.6
106.02928	6.4
112.03977	0.6
118.01154	1.0
118.03520	32.9
119.01922	100.0
123.04486	2.0
123.05551	62.3
124.03952	36.3
124.05833	1.5
124.07598	1.3
131.01881	2.7
133.03447	0.9
136.04536	1.2
137.02959	34.1
137.92670	0.5
140.03416	0.6
141.05061	0.6
142.03496	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.77522	3.2
52.20283	3.7
55.01865	9.4
58.64104	3.1
65.03939	8.9
67.05497	38.1
68.99783	8.6
71.46001	3.7
80.05021	20.5
85.72025	3.7
86.08848	3.8
95.04955	29.3
96.04470	8.6
96.24057	3.2
119.01923	13.7
123.04438	100.0
123.05556	69.0
123.08022	3.4
123.09219	16.8
124.03963	9.4
124.07621	7.0
137.02933	6.4
142.03485	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03942	2.4
53.60261	0.8
55.05510	9.6
57.07084	1.1
61.68192	0.7
65.03921	1.5
67.05505	51.4
68.05837	1.5
69.07044	1.0
70.45334	1.4
71.57983	0.8
77.33065	0.7
78.03471	1.0
79.05504	6.2
80.05019	10.4
80.06297	0.6
81.03426	5.5
81.07057	22.2
91.05486	2.6
93.07047	12.0
95.04968	30.4
95.08607	39.8
96.04519	8.6
96.08945	1.0
99.15303	0.7
100.02457	1.1
101.00877	2.4
103.05466	0.8
104.86684	0.8
105.04530	1.5
105.07031	2.7
106.02930	0.9
108.05743	2.9
108.07697	0.7
112.03958	1.3
115.26856	0.7
115.87633	0.9
119.01928	11.5
120.79333	0.8
123.04480	2.9
123.05558	31.9
123.08071	100.0
123.11689	7.0
124.03963	9.8
124.05855	1.4
124.07584	2.1
124.08433	4.9
137.02963	6.2
142.03540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
51.02373	0.5
53.03946	1.4
55.05513	4.5
57.07076	6.2
65.03947	0.6
67.05504	14.7
69.07063	3.3
69.37899	2.0
79.05499	12.3
80.05021	5.4
81.07057	100.0
82.07394	2.8
93.07058	2.1
93.37477	0.6
94.07835	0.7
95.04979	2.0
95.08608	18.4
95.09216	1.1
96.04491	4.8
100.02483	1.3
101.00861	2.9
105.04514	0.7
105.07025	0.8
106.07349	0.7
108.07669	1.4
112.04003	1.2
118.03497	0.7
119.01930	12.0
121.10160	1.2
123.04443	10.5
123.05558	15.1
123.08070	3.6
123.10004	2.1
123.11708	40.0
124.03976	7.7
124.04885	0.9
124.05897	0.7
124.07577	1.1
124.12047	1.2
137.02934	4.0
142.03465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03936	1.1
55.05521	3.0
55.72918	0.5
57.07077	6.4
59.11827	0.7
65.03934	0.7
67.05505	13.5
69.07066	2.2
74.60863	0.5
75.10129	0.5
77.03925	0.8
79.05492	12.2
80.05019	7.6
81.03376	0.6
81.07057	100.0
82.07380	2.6
93.07050	1.0
94.07849	1.2
95.04974	2.6
95.08605	16.2
96.04489	5.9
96.08950	0.8
100.02467	1.3
101.00874	3.2
105.03376	1.0
105.07057	1.5
106.02850	0.7
107.04962	0.8
108.05741	2.5
109.45597	0.6
112.04005	1.5
112.24648	0.6
118.03497	1.1
119.01921	17.0
121.10099	1.6
123.04435	9.6
123.05547	23.7
123.08086	9.1
123.09095	0.9
123.09890	1.1
123.11703	36.4
124.03958	9.2
124.07587	2.6
124.12037	2.2
137.02977	6.8
142.03488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05509	3.2
57.07073	5.0
60.18700	0.6
65.03945	1.4
67.05159	1.1
67.05508	14.4
69.06204	0.6
69.07047	3.4
69.40654	2.9
78.03461	1.0
79.05492	12.4
80.05012	9.2
80.05779	0.6
80.83068	0.6
81.07055	100.0
82.07394	3.0
85.05000	0.5
93.07046	2.1
95.04972	3.4
95.08605	18.3
96.04488	7.6
96.08904	0.8
100.01856	0.7
100.02492	1.9
101.00852	3.6
105.04521	0.8
105.06987	0.8
108.07657	1.7
108.09361	1.0
112.03969	1.0
119.01917	15.3
121.10143	1.5
123.04468	3.2
123.05548	29.6
123.08055	6.6
123.09172	1.1
123.10008	2.1
123.11703	34.7
124.03944	11.8
124.05907	1.1
124.07590	1.7
124.12027	2.1
137.02962	5.0
140.03387	0.9
142.03488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.36584	0.6
55.05509	4.3
55.92104	0.6
57.07078	5.2
63.32391	0.6
65.03925	0.9
66.04731	0.7
66.30198	0.6
67.05504	15.3
69.07071	2.3
77.03934	0.9
78.03469	1.0
79.05491	12.7
80.05013	12.9
80.05783	0.9
81.07053	100.0
82.07401	3.6
93.07047	2.9
94.07806	0.8
95.04956	2.5
95.08602	17.8
96.04485	12.7
96.08110	1.1
96.08949	1.2
100.02473	1.8
101.00890	2.9
105.04504	1.2
105.07008	0.9
106.07330	0.9
108.05785	0.8
108.07674	1.4
108.09355	1.1
108.17387	0.7
112.03972	1.3
118.03497	0.9
119.01910	17.1
121.10155	1.0
123.04449	12.2
123.05553	42.8
123.08049	7.0
123.08989	0.8
123.09158	0.8
123.10051	3.5
123.11701	31.4
124.03951	17.2
124.04691	0.5
124.05904	1.7
124.07587	2.8
124.08427	0.9
124.12038	2.0
137.02959	8.3
140.03429	1.4
142.03493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
50.84288	0.3
52.02430	0.3
53.03952	1.1
54.64204	0.3
55.05511	4.1
57.07077	6.1
65.03935	0.9
67.05504	13.5
67.44593	0.3
69.07082	2.4
71.44028	0.4
75.02332	0.4
79.05492	13.6
80.05017	3.5
80.05826	0.8
81.07056	100.0
82.07384	3.6
83.96284	0.4
93.07066	1.9
94.07829	1.2
95.04955	0.7
95.08607	15.3
96.04508	2.1
96.08955	0.5
97.18178	0.3
100.02442	0.4
101.00889	1.6
105.07011	0.8
106.07362	0.4
108.05724	1.5
108.07671	0.8
108.09376	0.6
112.03948	0.4
119.01917	6.8
121.10150	1.7
123.05555	11.0
123.08076	4.4
123.10007	1.7
123.11703	32.1
124.03948	3.6
124.05942	0.4
124.07601	0.5
124.12060	1.9
137.02931	1.6
142.03474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.36584	0.6
55.05509	4.3
55.92104	0.6
57.07078	5.2
63.32391	0.6
65.03925	0.9
66.04731	0.7
66.30198	0.6
67.05504	15.3
69.07071	2.3
77.03934	0.9
78.03469	1.0
79.05491	12.7
80.05013	12.9
80.05783	0.9
81.07053	100.0
82.07401	3.6
93.07047	2.9
94.07806	0.8
95.04956	2.5
95.08602	17.8
96.04485	12.7
96.08110	1.1
96.08949	1.2
100.02473	1.8
101.00890	2.9
105.04504	1.2
105.07008	0.9
106.07330	0.9
108.05785	0.8
108.07674	1.4
108.09355	1.1
108.17387	0.7
112.03972	1.3
118.03497	0.9
119.01910	17.1
121.10155	1.0
123.04449	12.2
123.05553	42.8
123.08049	7.0
123.08989	0.8
123.09158	0.8
123.10051	3.5
123.11701	31.4
124.03951	17.2
124.04691	0.5
124.05904	1.7
124.07587	2.8
124.08427	0.9
124.12038	2.0
137.02959	8.3
140.03429	1.4
142.03493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15024	0.3
55.62474	0.2
56.82490	0.2
62.23737	0.2
70.89464	0.2
73.72620	0.2
82.01440	0.4
82.99835	3.7
83.01495	0.5
90.75832	0.2
97.13638	0.2
100.02474	0.7
101.00876	39.8
101.02545	1.3
102.00932	1.4
102.02218	0.6
111.00448	0.3
117.07331	0.2
119.01914	100.0
120.01989	4.3
124.02472	1.0
126.08237	0.2
137.02954	21.7
138.03067	0.8
142.03505	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84480	0.2
59.95699	0.2
60.00638	0.3
65.97504	0.2
69.75402	0.4
69.75761	0.5
74.66682	0.2
78.78055	0.2
80.04988	0.4
82.01430	0.4
82.99835	4.0
83.01553	0.3
96.04508	1.0
97.02886	0.5
100.02457	0.9
101.00874	36.1
101.02565	1.2
102.00923	1.9
102.02216	0.3
106.04013	0.2
111.00394	0.2
112.03927	0.2
113.24180	0.2
118.03522	0.3
119.01913	100.0
120.01988	4.6
120.03239	0.3
121.02326	0.5
122.88901	0.2
124.02454	0.6
124.03940	2.6
124.07594	0.7
124.08672	0.2
125.07100	0.3
137.02950	22.9
138.03085	1.1
139.03345	0.3
142.03499	5.7
143.03783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93375	0.2
70.89686	0.3
78.03460	0.3
80.05004	0.3
82.01436	0.3
82.99840	2.9
83.99894	0.3
94.93327	0.2
96.04485	1.9
100.02483	0.8
101.00880	33.1
101.02590	0.9
102.00945	1.7
102.02237	0.3
112.03958	0.2
118.72659	0.2
119.01919	100.0
120.02005	4.7
120.03272	0.3
124.02485	0.6
124.03956	3.7
124.05903	1.0
124.07587	1.2
125.02318	0.3
125.07108	0.3
137.02956	22.9
138.03072	1.1
138.86508	0.2
142.03496	7.1
143.03627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
51.02382	1.3
53.00301	1.7
53.03949	25.8
55.01875	10.1
55.05510	4.8
57.03438	3.0
65.03951	1.2
67.01850	1.7
69.03432	80.2
69.51566	3.8
70.03757	1.8
70.06600	1.8
71.01351	4.0
71.05003	6.8
71.05334	1.1
74.02439	1.6
80.05006	1.3
81.03418	73.9
81.04536	4.0
81.07051	1.6
82.03746	2.2
82.06578	14.5
83.01357	3.1
83.06116	1.6
85.02911	3.3
86.06059	3.9
97.02895	6.1
99.04470	15.3
100.07612	6.2
104.44770	1.4
109.02881	100.0
109.07668	1.9
110.03230	4.3
110.06103	1.2
121.01694	3.5
122.02026	2.2
127.03918	30.5
127.04914	1.7
127.05958	1.5
127.07047	3.2
127.08691	3.2
128.03419	1.1
128.07092	8.7
128.08090	2.1
129.22778	1.0
129.67889	1.0
140.02963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02378	0.3
53.03943	4.6
54.04301	0.2
55.01865	1.4
55.05511	0.4
56.96572	0.3
57.03436	0.5
57.07064	0.4
58.93507	0.2
59.12436	0.2
63.70242	0.1
67.01862	1.9
68.99782	1.5
69.03427	7.2
70.03783	0.2
70.06582	0.5
70.10600	0.3
70.10923	0.2
71.01347	0.3
71.04995	1.7
71.06923	0.3
81.03415	28.7
81.07063	0.4
82.03751	0.5
82.06577	1.1
83.01341	0.3
83.06101	0.3
85.02914	0.5
85.07671	0.6
85.08454	0.3
86.06076	0.7
97.02885	1.0
98.23330	0.2
99.04457	6.7
100.07601	0.6
109.02876	31.4
109.07638	0.6
110.03186	0.9
110.06070	0.2
119.01832	0.2
127.03911	100.0
128.03401	0.3
128.04256	2.7
128.07071	0.9
128.08165	0.4
128.10701	0.2
137.03430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0756
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03935	4.1
55.05511	4.1
57.03439	2.9
59.05005	1.3
65.03933	1.4
67.01855	0.6
67.05499	3.6
69.03432	2.2
69.07063	0.8
70.57030	0.8
71.04988	2.3
77.76843	0.5
79.05489	30.9
81.03416	3.1
81.07053	100.0
82.06577	2.2
82.07377	2.9
83.04977	1.9
84.08128	0.8
85.06542	11.4
90.54489	0.5
95.04969	1.1
97.02884	0.7
99.08070	1.3
99.34895	0.6
100.07610	1.0
108.70705	0.5
109.02865	2.9
109.06516	56.2
109.10167	0.7
110.06855	2.0
127.03925	4.5
127.04922	0.8
127.07552	22.2
128.07069	1.6
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	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
52.68122	0.2
54.91440	0.2
56.05039	2.8
60.05646	2.4
67.05499	0.4
69.03434	5.1
69.07062	0.5
70.06593	37.8
70.40762	0.6
71.04992	4.0
71.06936	0.6
72.64103	0.3
82.06586	0.6
84.04510	4.3
84.08144	100.0
85.08479	2.4
88.07620	0.3
112.07618	15.7
112.08743	3.7
113.07948	0.3
128.75517	0.2
130.05031	0.5
130.08653	21.4
130.09732	2.4
131.09009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05035	2.6
56.09386	0.2
60.05650	2.7
67.05517	0.3
68.05014	0.2
69.03439	1.7
69.07079	0.3
69.31502	0.6
69.31874	0.4
70.06591	81.8
71.04632	0.5
71.04993	5.2
71.06918	1.2
84.04505	5.4
84.08141	100.0
85.08467	2.8
88.07638	0.4
112.07604	3.9
112.08737	9.3
113.09070	0.3
119.83858	0.3
130.04987	0.7
130.08653	18.8
130.09750	3.5
130.12331	0.4
131.09030	0.5
143.17587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.05037	3.0
56.65936	0.3
60.05649	3.2
60.20119	0.2
67.05482	0.3
69.03438	3.3
70.06592	94.8
70.14403	0.5
70.14724	0.3
71.04993	5.3
71.06934	2.0
84.04501	1.8
84.08143	100.0
85.08472	2.7
88.07645	0.4
112.07600	8.7
112.08723	10.4
113.09077	0.4
130.08632	19.3
130.09732	3.8
130.12283	0.7
131.08972	0.5
133.35966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
57.07074	47.3
58.07412	0.7
60.04477	0.6
60.05663	0.6
60.49996	0.5
67.05491	1.1
69.03425	5.8
69.59435	1.2
69.59810	1.1
70.06590	3.2
71.04995	2.9
72.08140	0.7
74.09716	38.3
82.53738	0.5
84.04507	4.8
84.08142	8.7
95.38650	0.6
98.23428	0.7
103.05460	1.3
106.77794	0.6
112.07601	17.2
120.74187	0.6
130.06528	2.7
130.08636	6.0
130.09619	0.9
130.15913	100.0
131.16252	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	130.1593
Annotation	Octylamine
Peak:m/z	Relative Intensity
55.20738	0.5
57.07077	50.1
57.98160	0.5
58.07403	0.9
69.03438	4.0
70.51478	1.2
72.08148	0.8
72.72267	0.5
74.09719	39.6
75.10048	1.0
84.08138	4.8
103.05448	1.0
112.07609	12.1
113.07977	0.9
130.06517	2.6
130.08656	2.8
130.15921	100.0
131.16275	3.9
147.12338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
56.05026	1.8
57.03431	10.0
57.07075	37.2
58.02945	1.3
58.06594	3.2
59.04998	2.5
61.99593	1.3
65.03939	5.0
67.05504	74.3
68.05029	39.7
68.05840	2.9
68.43092	1.4
69.03427	4.8
69.07069	5.9
70.03761	4.1
71.04995	20.8
71.92991	1.6
72.08136	2.6
75.34634	1.2
76.24900	1.3
76.83204	1.4
78.36022	1.5
84.04483	2.6
84.08133	2.0
85.04873	1.7
85.06543	14.8
85.08449	10.3
86.06067	100.0
86.09697	3.9
90.90388	6.2
92.25449	1.5
95.04967	47.7
103.05444	3.6
104.04974	2.9
107.97827	1.4
113.06007	28.9
113.07230	2.5
113.07941	23.1
114.05542	3.2
120.01434	1.2
131.06102	1.5
131.07011	3.9
131.09042	8.6
132.04446	8.7
132.06569	31.8
132.95755	1.5
149.94025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39484	0.5
52.67255	0.5
53.03944	2.2
54.14616	0.5
56.05050	0.5
57.03433	2.4
57.07074	0.6
58.07426	0.5
59.07244	0.5
65.03943	1.7
65.91948	0.5
68.05037	1.2
69.03421	1.0
69.27930	2.2
69.83643	0.5
77.03947	0.6
79.05502	1.5
80.76597	0.5
85.08491	1.0
86.06074	2.2
86.09730	1.0
90.05589	0.6
91.05481	100.0
92.05785	2.6
95.04957	1.2
103.05463	11.2
105.07073	2.6
113.07929	1.9
115.04647	1.0
115.05454	16.6
116.06242	44.6
116.30276	0.5
117.06590	1.7
128.05513	0.4
128.06244	4.3
129.07011	11.8
131.08563	99.2
131.16264	2.7
132.06543	3.2
132.08905	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81440	0.5
53.03954	0.7
56.05051	0.6
57.03443	2.9
58.02964	0.6
68.05031	0.7
69.03427	0.8
69.53371	0.4
70.03747	0.6
70.73096	0.6
72.04520	0.7
83.79318	0.5
85.08478	1.4
86.06062	1.4
86.09719	1.5
90.05551	0.7
91.05478	66.6
92.05806	2.6
103.05460	3.8
112.74787	0.4
113.07947	2.9
115.05454	1.7
116.06234	9.6
128.06261	0.6
129.06996	10.0
130.07338	0.5
131.08562	100.0
131.16208	0.7
132.06558	3.8
132.08102	0.7
132.08919	4.6
143.06082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0657
Annotation	Trans-4-Hydroxy-L-proline
Peak:m/z	Relative Intensity
55.05515	0.4
58.06604	2.5
60.05667	0.3
60.08175	0.2
68.05029	42.1
69.05365	0.9
72.05629	0.3
73.08443	0.2
84.08138	1.3
85.08435	0.2
86.06067	100.0
86.09718	0.7
87.05787	0.5
87.06404	2.5
90.05554	0.7
114.05518	2.1
114.06683	0.3
120.89244	0.3
132.06567	24.3
132.10243	0.6
133.06912	0.6
136.57809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.16947	0.3
58.06624	0.4
62.97215	0.3
68.05037	4.2
69.07066	3.8
70.29581	0.9
86.06068	10.7
86.09704	100.0
87.09546	0.6
87.10006	2.3
91.43958	0.4
110.45279	0.4
132.06570	2.7
132.10217	1.2
133.78693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47810	9.8
54.46657	11.2
57.03437	25.6
57.12219	11.5
65.03948	13.2
69.99553	27.3
69.99888	16.3
70.25236	13.2
73.02917	28.2
85.02917	13.9
91.05516	26.4
105.07035	100.0
133.10110	61.3
134.06036	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	133.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08569	7.6
56.62872	7.6
57.03436	22.4
66.65857	6.9
69.03426	23.4
70.06583	10.2
84.52000	7.8
85.02901	25.7
87.05285	7.5
91.05477	27.5
93.07088	11.3
97.02844	9.8
105.07030	100.0
125.24221	7.6
133.10143	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03952	0.6
55.05512	4.1
67.05489	0.9
70.06593	2.6
74.02441	1.7
77.03963	1.0
79.05500	6.8
87.40723	0.8
91.05481	28.3
93.07052	8.3
95.04974	1.9
98.08602	0.7
103.05475	3.9
105.07030	100.0
106.06662	1.0
106.07355	3.3
107.08585	0.8
107.47857	0.7
115.05452	3.3
116.06289	0.9
116.07124	1.0
117.07005	4.5
118.07782	4.0
131.08566	10.8
133.06509	4.4
133.07611	1.8
133.10129	58.6
134.06041	1.3
134.08112	1.7
134.10458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.57067	0.4
55.05508	3.9
57.03394	0.5
58.50387	0.4
64.28453	0.4
67.05497	2.4
68.33997	0.5
77.03927	0.5
79.05491	3.8
91.05478	31.0
92.05796	1.0
93.07054	1.5
103.05457	1.4
105.07028	100.0
106.07359	3.1
117.07000	0.5
118.07778	0.7
131.08568	5.7
133.10126	38.2
134.08096	0.8
134.10472	1.4
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
53.03948	0.8
55.05517	5.4
57.03426	0.9
57.71083	0.7
59.58873	0.5
67.05501	1.6
70.06590	3.0
74.02431	0.8
79.05487	5.9
85.03802	0.6
86.07500	0.6
88.02244	1.1
88.03976	0.7
88.70184	0.7
91.05480	29.7
92.05790	0.6
93.07043	6.6
95.04971	1.5
103.05478	3.0
105.07028	100.0
106.07371	3.2
107.08542	1.1
115.05453	3.9
116.06252	1.3
116.07074	1.0
117.07008	4.3
118.07785	5.3
131.08559	10.7
132.90498	0.8
133.06551	1.2
133.10127	55.8
134.08112	1.4
134.10461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
63.48982	0.3
65.03925	0.6
65.25228	0.3
66.86393	0.3
67.77961	0.3
69.96816	0.6
69.97195	0.7
70.06584	0.8
74.02425	0.4
77.03907	0.7
79.05498	5.0
80.05829	0.4
88.03999	0.3
91.05479	13.1
93.07053	4.5
95.04966	1.0
98.23386	0.7
103.05470	1.9
104.06216	0.5
105.04547	0.8
105.07028	41.6
106.07350	1.5
107.08565	0.8
112.16501	0.3
115.05447	4.3
116.06254	0.8
117.07008	4.7
118.07800	6.2
129.06973	0.4
131.08559	5.5
133.02808	0.7
133.10124	100.0
134.08134	0.5
134.10448	4.0
144.48264	0.4
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	Tetralin
Peak:m/z	Relative Intensity
55.05503	2.9
57.03432	0.8
64.61409	0.7
65.03928	0.7
69.24343	4.3
70.06596	1.1
77.78868	0.7
79.05490	9.0
79.95571	0.7
83.17169	0.6
87.06394	1.0
88.02232	0.8
91.05481	27.4
92.05787	1.0
93.07059	3.9
95.04974	2.2
103.05460	4.4
105.03416	1.1
105.04539	1.6
105.07030	76.7
106.07358	3.3
115.05453	4.0
117.06970	4.9
118.07788	5.2
131.08571	7.7
132.77261	0.8
133.02844	1.9
133.06493	3.8
133.07568	2.1
133.10129	100.0
134.05988	1.2
134.08064	1.1
134.10454	4.5
136.46660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06391	0.4
54.60699	0.4
55.05500	1.3
57.03430	0.8
58.03762	0.5
69.03419	1.0
70.06586	0.9
70.60665	0.6
70.61014	0.5
72.72102	0.4
73.07352	0.4
77.03927	0.6
79.05495	4.1
81.88151	0.4
84.57888	0.4
85.02900	0.7
87.60972	0.5
91.05477	14.1
92.06287	0.6
93.07038	4.7
93.12889	0.4
94.98025	0.4
95.04976	0.9
103.05468	1.9
105.04533	0.8
105.07030	43.6
106.07336	1.3
107.01485	0.4
107.08575	0.9
112.70473	0.4
115.05460	5.4
116.06284	0.4
116.07054	0.6
117.07005	4.6
118.07818	5.7
121.75591	0.4
129.07045	0.5
131.08580	5.7
133.10129	100.0
134.06032	0.5
134.10477	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
53.03935	0.3
53.84224	0.2
55.05508	1.6
65.03947	0.3
66.17218	0.3
69.61090	0.8
69.69889	0.2
77.03924	0.8
78.04680	0.3
79.05501	4.0
91.05478	12.4
91.06056	0.6
92.06280	0.3
92.26414	0.3
93.07044	3.6
95.04974	1.0
97.18757	0.3
103.05463	1.4
105.07026	37.0
106.07362	1.1
107.08570	0.9
109.06516	0.3
115.05450	3.7
116.06280	0.7
117.07026	5.4
118.07796	5.6
118.08621	0.4
129.07028	0.4
131.08560	5.7
133.10123	100.0
134.10471	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56004	0.4
53.03935	0.6
55.05508	1.7
62.37931	0.4
64.88296	0.4
70.06582	1.2
71.05020	0.4
71.46209	0.5
77.03904	0.8
79.05489	4.5
87.06387	0.7
91.05480	14.9
92.05787	0.7
93.07044	4.5
94.21477	0.4
95.04974	1.2
103.05481	2.3
105.07027	44.8
106.07380	1.5
107.08608	0.8
115.05457	4.6
116.06265	0.8
116.07056	0.6
117.07024	5.1
118.07809	6.2
131.08559	4.9
133.06548	1.1
133.10126	100.0
134.10455	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	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02379	1.2
53.03946	5.5
55.01869	1.0
55.05515	4.0
59.04998	1.1
67.05484	1.3
69.07063	2.1
71.44183	0.7
77.03939	5.5
79.05493	59.2
80.05804	0.7
81.07050	2.1
91.05476	12.9
93.07047	27.3
95.04967	24.1
105.04510	10.6
105.07011	4.7
107.04353	0.5
107.04954	22.0
107.08593	30.9
108.05321	1.4
108.08959	0.9
109.01102	0.9
109.06517	1.6
114.97413	0.8
117.06963	0.7
119.06062	2.2
119.08588	2.5
120.09383	1.2
123.04418	1.0
124.73293	0.7
125.05981	1.1
135.04419	100.0
135.08012	4.6
135.11682	11.6
136.02162	25.4
136.04776	2.5
136.06184	6.8
136.07231	0.9
136.07539	0.8
142.75269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.30558	0.6
51.02373	1.9
53.03949	11.5
53.80446	0.6
55.01866	0.7
55.05501	1.9
64.88808	0.6
77.03933	13.6
79.05494	17.5
81.03416	1.8
91.05484	4.5
92.02621	13.3
93.07046	4.3
95.04970	43.4
95.21521	0.7
98.23316	0.7
105.03443	4.5
105.04517	24.5
105.07028	1.7
106.18140	0.8
107.04966	2.8
107.08587	6.8
119.08583	1.7
120.02081	2.6
135.04416	100.0
135.08035	2.2
135.11650	3.2
136.02167	9.5
136.04756	2.7
136.06174	3.5
138.03099	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03936	1.0
53.44705	0.5
55.01862	1.4
55.05499	1.6
65.03931	1.3
67.05492	2.4
69.07048	0.7
77.03912	1.2
79.05042	1.1
79.05489	15.6
81.07022	0.7
91.05481	23.9
92.05786	0.6
92.06270	0.7
93.07043	14.8
95.04950	3.1
105.04525	0.7
105.07025	8.7
107.04910	1.1
107.08588	28.3
108.08916	0.9
109.01085	1.0
109.06510	3.2
115.05457	4.3
117.07024	2.1
119.06100	2.7
119.08534	1.1
120.05696	0.7
123.95991	0.6
135.04446	2.0
135.08046	100.0
135.11653	6.8
136.01163	1.1
136.02161	16.7
136.06172	4.8
136.07436	1.3
136.07693	0.7
136.08432	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	135.0806
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03946	2.8
55.01870	7.7
59.04999	2.7
63.36669	1.3
66.27187	1.3
67.05503	5.7
67.96866	1.4
69.03436	1.6
70.69656	1.2
71.43122	1.1
77.03909	2.7
79.05492	36.3
81.03420	9.3
83.39799	1.1
91.05473	16.5
93.07046	7.2
93.19207	1.2
95.04971	13.0
105.04542	6.5
105.07034	3.5
107.04949	22.7
107.08599	9.0
108.08150	1.7
109.01090	4.6
109.06548	1.6
115.05450	3.8
116.98603	1.5
117.07035	11.5
135.04422	34.6
135.05464	2.9
135.06541	2.4
135.08051	82.6
136.02161	100.0
136.06151	7.8
136.07555	3.2
136.08435	3.0
136.11128	1.3
139.17096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	1.4
55.01852	1.0
55.05512	4.2
63.22029	0.6
65.03938	0.8
67.05498	2.0
69.07066	2.1
73.55587	0.7
77.03922	1.9
79.05492	15.0
81.03400	1.0
81.07053	2.8
87.21769	0.6
91.05481	21.9
91.06062	1.2
91.30160	0.7
92.05781	1.0
93.07046	46.5
94.07369	1.3
95.04971	6.0
105.04513	4.0
105.07028	7.8
107.04979	4.2
107.08593	100.0
108.08196	0.9
108.08913	4.7
109.01082	1.7
109.06522	4.4
117.07032	1.2
119.06054	3.3
119.08571	2.2
135.04425	5.4
135.05486	1.3
135.06628	1.3
135.08080	5.0
135.09007	1.0
135.11690	16.7
136.02162	47.6
136.06143	4.8
136.07552	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.00819	1.4
53.03956	1.8
55.05518	7.1
57.07056	1.3
65.03920	1.3
65.39523	1.5
67.05504	1.5
69.07082	3.3
77.03925	2.2
79.05489	13.9
81.07050	2.0
85.17932	1.4
91.05473	27.4
93.07041	43.0
93.07606	2.8
94.07336	1.8
95.04958	9.2
105.04524	5.1
105.07031	13.9
107.08589	72.5
108.08939	3.5
109.01095	3.2
109.06519	4.2
110.36955	1.5
113.99068	1.5
114.11011	1.4
115.05473	1.5
117.07001	2.0
119.06048	4.2
119.08567	9.2
120.09322	2.8
135.04449	3.6
135.05504	2.0
135.06561	1.7
135.08116	1.6
135.11697	29.6
136.02158	100.0
136.05132	2.3
136.06200	9.7
136.07588	4.5
136.11229	2.1
151.29134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.26339	0.7
52.58415	0.7
53.03937	1.2
55.05514	6.4
58.77635	0.7
65.03922	1.7
67.05495	1.9
69.07066	3.1
70.73573	1.5
73.71607	0.7
77.03928	2.5
79.05492	16.5
80.05836	0.9
81.07048	3.1
91.05480	28.5
93.07044	51.8
94.07343	1.7
94.07862	1.1
95.04966	5.9
95.08630	0.7
95.15200	0.7
105.04503	2.8
105.07027	13.0
106.55053	0.7
107.08592	100.0
108.08921	4.3
109.06516	4.2
115.05441	0.9
117.07000	2.4
119.06071	3.3
119.08585	13.4
120.09368	2.8
131.46443	0.7
133.10101	1.1
135.04449	3.6
135.08075	2.2
135.11690	26.8
136.02159	13.0
136.06166	3.4
136.12050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	3.4
54.82274	1.0
55.01852	1.5
55.05518	7.1
61.54760	1.1
65.03950	2.6
67.05495	1.7
69.07070	2.8
69.32378	5.5
72.19067	1.1
77.03935	4.1
79.05492	25.6
81.07057	1.8
81.97368	1.0
91.05486	53.5
92.02636	1.4
92.05817	1.6
93.07047	44.3
94.07355	2.2
95.04971	17.0
98.22720	2.2
103.05493	1.9
105.04527	6.9
105.07029	27.5
107.04948	4.0
107.08598	100.0
108.08202	1.1
108.08907	5.2
109.01151	1.7
109.06520	8.7
115.05469	2.4
117.07011	4.8
119.03571	2.1
119.06102	6.9
119.08585	24.0
120.09440	5.8
133.10089	2.4
135.04431	18.7
135.05476	1.6
135.08063	27.6
135.10649	1.2
135.11691	41.5
136.02164	43.5
136.05101	1.5
136.06186	28.4
136.07350	1.9
136.08447	1.7
136.12097	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02976	0.2
68.06344	0.2
68.76824	0.2
70.21672	0.2
70.48109	0.4
71.31116	0.2
71.31518	0.2
82.08697	0.2
82.86360	0.2
91.05489	0.3
92.02455	0.3
94.04049	2.4
104.36721	0.2
109.01114	0.3
109.05119	0.5
112.05034	0.2
118.06489	0.3
119.02855	0.1
119.03548	8.1
136.02168	3.7
136.06181	100.0
137.02435	0.3
137.03571	0.4
137.04591	4.3
137.06664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
55.03016	0.1
56.77566	0.1
59.22963	0.1
67.02965	0.2
70.56763	0.1
70.65147	0.1
70.65489	0.2
70.96790	0.1
82.04107	0.1
89.81233	0.1
91.05483	0.5
92.02491	0.3
94.04053	2.5
109.05135	0.5
109.28200	0.1
112.65172	0.1
119.02859	0.1
119.03547	7.3
136.06181	100.0
137.04607	3.6
137.06624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91438	5.1
65.03920	13.2
66.31678	5.9
69.49172	20.1
74.33976	5.0
75.84797	4.9
79.05473	10.9
81.03391	8.6
81.07047	11.9
91.05493	100.0
92.05801	11.4
94.04179	14.6
109.02859	6.8
109.06528	11.6
110.06038	6.2
111.04424	8.4
114.28602	5.1
119.04926	19.5
121.06461	6.1
122.03626	19.6
134.18323	5.8
136.06174	17.7
136.07614	16.2
137.02486	45.1
137.03458	6.2
137.04594	28.0
137.05978	99.3
137.07022	11.5
137.08102	10.5
137.10739	8.9
138.05490	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	137.023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01870	6.6
55.05499	4.0
57.07072	5.2
65.03932	2.2
67.05162	1.6
67.05504	25.8
69.03426	1.2
69.07063	4.2
69.68723	3.7
79.05499	6.2
81.03415	35.5
81.07055	34.2
86.57713	1.0
90.54552	1.0
91.05464	9.3
93.07019	5.6
94.04190	9.0
94.07889	1.1
95.04965	6.0
95.08604	46.2
103.58225	0.9
107.01333	5.6
107.04930	2.9
107.08586	2.4
109.02870	4.6
109.06520	14.8
109.10143	17.2
114.01759	1.1
119.06065	1.3
119.08587	5.1
121.06521	1.7
122.03648	17.4
122.07275	16.8
127.03915	12.2
135.04221	1.1
137.02341	100.0
137.03459	56.0
137.05945	34.8
137.07014	2.4
137.09610	36.3
137.10608	1.5
137.13249	9.1
138.02713	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.96989	0.7
57.98316	0.8
58.44323	0.8
65.03938	1.1
66.04726	2.3
67.05479	1.6
70.87344	0.9
79.05485	2.5
81.07050	2.2
91.05486	3.0
94.04189	25.1
95.04977	1.3
96.04483	0.9
107.04929	1.4
109.06480	0.9
110.65042	0.8
121.06524	1.3
122.03648	45.0
123.03992	1.8
137.02454	3.2
137.05974	100.0
138.01675	1.7
138.05434	1.7
138.06345	3.0
138.09132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.21884	1.3
52.09774	1.1
53.03944	5.7
54.18143	1.1
55.01858	2.3
63.85548	1.1
65.03934	2.5
66.04710	3.3
67.01868	8.7
67.05480	3.0
68.99790	1.6
69.03433	1.6
69.77901	3.7
74.93298	1.0
77.03916	3.7
77.06445	1.0
79.05492	31.0
81.03418	1.9
81.07043	15.5
82.55524	1.2
91.05457	3.4
94.04176	13.3
95.04967	13.8
95.08590	5.1
105.03391	1.3
105.04519	6.6
107.04259	2.2
107.04950	29.3
109.06513	23.9
109.10180	1.2
110.06920	1.4
121.06517	1.7
122.03621	8.4
125.05939	2.5
127.69171	1.3
135.05508	2.8
137.02473	8.9
137.05965	100.0
137.06958	3.9
137.09541	1.7
137.13268	1.3
138.01732	2.0
138.05452	1.8
138.06361	2.8
138.09201	1.8
141.03467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.3
53.03947	0.4
55.01868	0.4
65.03934	1.1
66.04725	4.2
67.05514	0.4
69.95669	0.2
69.96022	0.3
77.03931	0.7
79.05495	3.5
81.07059	1.5
91.05481	2.9
94.04185	31.1
95.04488	0.5
95.05014	1.1
104.94152	0.2
105.03399	0.6
105.04534	0.4
107.04948	1.5
109.06526	0.6
122.03644	50.6
123.03989	1.5
135.04388	0.6
137.05972	100.0
138.06306	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.29781	0.9
53.03942	1.3
55.01858	2.2
65.03943	4.8
69.32037	2.0
69.32441	3.6
79.01844	1.8
79.05491	14.5
79.67307	0.9
81.07053	14.5
83.01305	1.4
91.05473	19.7
91.54417	1.0
94.04157	3.0
95.04984	2.5
96.07429	0.9
98.23185	4.4
107.04929	1.7
108.53121	1.1
109.06514	26.1
118.33611	1.0
119.04984	1.2
121.06499	1.5
123.04429	1.7
137.05971	100.0
138.06351	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02385	0.4
53.03935	1.7
55.01866	1.8
65.03948	2.8
66.04717	2.2
67.01859	1.3
67.05511	2.9
69.03426	1.1
69.48326	0.5
77.03909	0.9
79.01830	0.9
79.05492	10.8
81.03412	1.1
81.07056	11.4
82.36245	0.4
84.45570	0.4
91.04942	0.8
91.05482	12.2
93.06998	0.4
94.04185	14.6
95.04999	3.4
95.08607	2.9
95.81314	0.4
96.37763	0.4
105.04489	1.2
107.04955	4.1
108.04479	0.4
109.06516	13.9
109.10141	1.2
110.06792	0.5
119.04945	0.8
122.03648	18.8
123.03999	0.9
135.04404	0.5
137.02527	4.1
137.05974	100.0
137.09518	2.4
137.13260	0.4
138.01674	0.8
138.05531	0.7
138.06375	3.5
138.09119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03957	5.9
55.01869	2.3
65.03949	1.6
66.04728	4.4
67.01867	10.2
67.05508	11.4
68.99801	1.2
69.03429	1.8
69.26022	3.0
69.26427	2.2
77.03928	4.8
79.05499	30.9
80.05834	1.2
81.03412	2.7
81.07057	15.2
91.05479	6.6
93.07044	2.6
94.04193	12.1
95.04974	14.3
95.08604	8.1
105.03425	1.8
105.04514	7.5
107.04960	33.7
108.80487	0.8
109.06524	19.6
109.10173	12.7
119.08564	4.1
121.06489	3.7
122.03659	9.3
122.07291	29.3
125.05983	2.3
135.05542	1.5
135.08107	0.9
137.02525	4.3
137.05984	100.0
137.09613	41.6
137.10478	0.9
137.13213	1.2
138.01750	0.8
138.05414	1.1
138.06343	3.1
138.09943	2.0
143.94386	0.9
143.95578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.64565	0.6
51.02369	1.5
53.03946	6.8
55.01865	2.6
55.05499	0.9
60.54224	0.6
65.03941	1.7
66.04714	3.6
67.01866	12.2
67.05498	5.0
68.99783	1.3
69.03426	2.3
69.07079	0.7
69.46582	2.2
77.03934	6.9
79.05492	37.7
81.03401	2.1
81.07053	12.7
91.05471	4.8
94.04193	14.0
95.04967	16.7
95.08598	2.8
97.72766	0.6
105.03407	0.9
105.04523	7.0
107.04955	27.3
109.06514	22.5
109.10146	3.9
110.06822	0.8
119.08578	1.8
121.06402	1.1
122.03636	6.1
122.07288	8.9
123.04408	1.2
125.05982	2.8
135.05539	2.2
137.05977	100.0
137.09599	13.3
138.05391	0.7
138.06357	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	0.8
53.03946	6.5
55.01858	1.1
65.03937	2.1
66.04712	3.3
67.01863	11.0
67.05493	2.5
68.99789	1.3
77.03921	4.4
79.05491	34.9
81.03398	2.0
81.07053	13.1
91.05499	4.0
94.04185	12.3
95.04965	18.3
95.08593	2.5
105.03359	1.1
105.04509	7.5
107.04952	27.5
108.05224	1.0
109.05762	1.0
109.06518	21.6
109.10130	1.3
119.08577	1.1
122.03653	7.6
122.07290	2.6
123.04426	0.9
125.06004	2.3
126.68978	0.7
132.54799	0.8
135.05547	2.9
137.02527	4.9
137.05972	100.0
137.09567	5.1
138.05388	0.9
138.06325	3.3
146.78491	0.7
153.43539	0.7
155.23746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02373	0.4
53.03953	0.5
55.01869	0.4
65.03954	0.6
66.04725	2.9
67.05490	0.4
69.48611	0.9
70.39210	0.3
77.03917	0.8
77.17177	0.3
79.05492	3.7
79.21806	0.3
81.03421	0.4
81.07059	2.1
82.04142	0.4
91.05478	3.2
94.04187	25.4
95.04470	0.6
95.04982	1.1
95.08604	0.4
98.12230	0.2
98.23441	0.7
105.03387	0.4
105.04527	0.4
107.04953	1.5
109.06512	1.6
119.04957	0.5
122.03648	47.7
123.03976	1.1
135.04379	0.7
137.02554	2.0
137.05978	100.0
138.01720	0.3
138.05415	0.5
138.06328	3.8
143.91350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03941	4.9
55.01857	2.5
55.05523	0.8
57.07065	1.5
65.03933	1.8
66.04716	2.9
67.01868	6.0
67.05505	4.9
68.99783	1.0
69.03443	1.3
72.01588	0.8
73.06493	0.6
77.03923	3.1
79.05493	30.0
80.75831	0.6
81.03399	1.6
81.07053	16.9
91.05477	4.9
91.83599	0.7
93.07026	1.2
94.04189	11.2
95.04426	0.6
95.04972	13.9
95.08605	12.5
105.03403	1.3
105.04515	6.8
107.04952	28.9
109.06519	21.6
109.10171	1.6
110.06083	1.2
115.86014	0.7
116.16420	0.8
119.04848	0.7
121.06558	1.0
122.03642	9.0
122.07266	2.5
123.04402	1.3
125.05988	3.0
135.05498	1.5
137.02505	5.8
137.05975	100.0
137.09566	4.9
137.13281	2.2
138.01726	1.5
138.05426	1.8
138.06322	2.7
153.54428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.13659	0.5
53.03941	0.8
55.01853	0.7
55.05494	1.2
57.33484	0.6
58.82792	0.6
58.83089	0.6
59.26911	0.6
60.19189	0.7
60.31032	0.6
65.03962	0.7
67.05162	1.2
67.05508	19.2
67.37973	0.6
69.03447	1.1
69.07059	1.1
69.53954	2.7
77.03950	1.2
79.05486	3.3
81.07059	6.7
91.05490	7.7
93.07049	3.0
94.04198	1.3
94.07804	1.4
95.04967	2.3
95.08627	7.8
103.05460	1.0
107.04957	15.4
107.08610	1.7
109.10162	27.9
110.10497	0.8
117.07037	1.5
119.08581	15.0
121.06514	7.4
122.03654	1.8
122.07291	78.5
123.07641	1.9
135.08041	3.0
137.02396	1.3
137.06010	6.3
137.09618	100.0
138.09967	2.5
157.63333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
55.05500	1.1
56.16163	0.8
67.05168	1.2
67.05507	18.5
76.25294	0.7
77.03928	1.6
79.05487	1.6
81.07038	5.4
91.05472	7.9
93.07059	2.0
95.04950	1.9
95.08627	4.0
103.05443	1.2
107.04948	11.7
107.08603	1.0
109.10156	28.1
117.07001	1.8
119.08580	14.4
121.06493	6.5
122.07288	69.7
123.07584	1.8
131.63467	0.9
135.08057	2.9
137.09615	100.0
138.09920	2.7
156.52756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01889	1.0
55.05505	2.1
65.03943	1.0
67.05162	1.3
67.05507	20.9
69.07060	1.3
77.03918	1.0
79.05486	3.0
81.07065	9.5
81.22550	0.7
91.05478	8.3
93.07032	3.5
94.04175	2.6
94.58862	0.8
95.04958	2.8
95.08611	10.5
103.05444	0.7
104.06229	0.9
105.04527	1.2
107.04953	12.8
107.08581	1.3
109.06535	1.0
109.10162	30.3
110.10517	1.3
117.07010	1.4
119.08588	15.3
120.08932	0.7
121.06493	5.5
122.03664	4.1
122.07289	74.0
123.07632	2.3
135.08069	3.6
137.02492	4.4
137.03406	0.7
137.05988	9.8
137.09618	100.0
138.05457	1.9
138.09979	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03936	2.9
55.01860	3.2
55.05504	7.3
57.03444	1.2
57.07057	2.0
65.03934	2.8
66.04718	2.2
67.05501	57.4
69.03417	4.8
69.07062	4.3
71.45468	1.3
77.03922	1.4
79.05487	11.0
80.94447	1.0
81.03420	6.0
81.07055	33.4
81.69085	1.1
83.04968	1.2
91.05475	22.4
93.07050	6.9
94.04178	13.8
94.07827	1.7
95.04408	1.6
95.04964	16.0
95.08594	29.2
97.27818	1.0
98.64935	0.9
104.06224	1.3
105.04504	1.0
107.04945	11.7
107.08561	4.0
108.05830	1.4
109.06506	34.9
109.10152	45.2
110.06093	1.1
110.10474	1.6
117.07028	1.9
119.04884	1.3
119.06074	2.2
119.08571	15.9
121.06479	2.5
122.03651	21.9
122.07281	53.2
123.06734	1.0
127.03910	2.6
135.08086	2.4
137.02400	13.0
137.03482	3.2
137.04861	0.7
137.05966	45.1
137.09607	100.0
137.13274	3.2
138.01752	1.5
138.05481	3.3
138.06412	1.9
138.09071	2.3
138.09990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03938	2.1
55.05507	3.0
57.07080	8.8
58.65592	1.7
67.05511	18.5
69.07071	6.4
71.43919	2.0
71.44347	2.6
72.45598	2.0
79.05486	8.1
81.07056	100.0
82.07381	2.3
91.05441	3.9
93.07047	4.3
94.04190	6.8
95.08604	88.6
96.08994	2.2
108.04496	2.3
109.06570	2.2
109.07632	2.1
109.10159	7.6
121.06575	2.7
122.03666	10.4
137.02498	13.3
137.04860	3.3
137.05986	29.2
137.07091	5.0
137.09644	9.0
137.13257	16.0
137.56522	2.0
138.01752	4.2
138.05515	6.9
138.09113	3.4
138.13554	2.0
148.54720	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03933	2.1
54.73539	2.0
55.05500	5.3
57.07062	8.5
61.81328	2.1
67.05503	18.7
69.07053	5.5
70.34040	5.3
79.05488	12.2
81.07053	100.0
82.07384	2.6
87.83521	2.0
91.05489	2.7
92.85376	2.2
93.07034	5.1
94.04186	6.0
95.05003	2.0
95.08607	84.5
96.04434	2.6
96.08961	3.8
109.06495	3.1
109.10183	6.2
110.06050	2.5
117.95551	1.9
121.06469	4.5
122.03637	13.3
128.98169	1.7
137.02481	16.2
137.05969	32.2
137.07094	7.7
137.09622	3.1
137.13274	14.6
138.01709	8.2
138.05460	5.5
138.09148	2.6
150.43022	2.2
153.94038	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05513	5.1
57.07078	12.7
67.05505	21.1
69.06781	0.7
69.07068	6.4
69.98695	2.5
69.99036	1.1
71.08590	1.0
76.13279	1.0
79.05489	6.9
81.07057	79.5
81.25286	0.9
82.07394	2.0
91.05487	1.3
93.07071	4.6
95.08606	100.0
96.08955	3.0
109.10156	8.6
113.66232	1.3
122.03654	1.1
137.02521	2.5
137.04668	0.9
137.05957	4.4
137.06949	1.0
137.09682	0.9
137.13258	18.6
138.05469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
52.99342	0.5
53.00073	0.9
53.00308	10.6
55.01861	0.6
55.05495	1.0
56.96284	0.8
56.96567	15.0
65.03943	12.8
67.05504	0.9
68.99776	1.2
69.03427	0.7
70.62193	0.7
71.95266	1.2
79.05487	1.0
83.04997	1.3
93.03374	3.2
93.04520	1.5
93.07012	0.7
95.04951	0.6
95.06066	1.1
97.06526	0.8
98.97584	57.6
107.04967	1.0
111.03690	0.6
111.04443	9.5
112.07655	0.4
116.98622	44.8
121.02867	11.6
121.03978	5.9
124.05225	0.8
125.75536	0.5
134.99660	24.0
139.03902	100.0
139.07518	1.5
140.00208	1.6
140.04222	3.3
142.82343	0.5
153.00711	3.1
158.01250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	7.6
53.03935	0.9
55.01873	2.7
55.05502	1.0
56.96566	5.9
65.03594	0.6
65.03941	11.3
67.01858	1.5
67.05504	1.7
68.99785	4.2
69.03436	0.8
69.55482	0.6
69.55820	1.3
71.01364	0.7
73.90662	0.3
79.05497	0.3
83.04979	2.4
93.03408	4.3
93.04523	0.6
93.07056	0.8
95.04946	0.9
97.02881	1.2
97.06551	0.4
98.97581	24.9
110.03638	0.4
111.04443	12.3
116.98620	14.7
121.02021	0.3
121.02866	7.8
121.03979	1.7
125.02363	1.0
134.99657	6.0
139.03897	100.0
139.12299	1.2
140.04185	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
53.00306	11.3
55.01879	0.6
55.05526	0.3
56.04504	0.3
56.96568	8.2
65.03944	12.0
66.04289	0.3
67.05508	0.2
68.99797	0.4
69.03448	0.3
71.95271	0.5
75.88366	0.2
81.04559	0.2
83.04992	0.7
93.03409	2.2
93.07033	0.3
97.06508	0.4
98.97585	35.9
111.04438	2.6
111.59644	0.3
116.98623	22.9
121.02872	11.9
121.03970	1.3
122.03207	0.4
134.99661	8.3
139.03902	100.0
140.00223	0.7
140.04242	4.1
148.40001	0.3
149.37184	0.3
153.00690	0.9
158.01305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
50.12617	0.3
53.00072	0.6
53.00304	6.8
53.03941	0.6
55.01876	2.9
55.05510	1.1
56.96563	5.8
65.03940	10.9
67.01846	0.9
67.05508	2.0
68.99787	3.8
69.03422	1.0
69.58919	1.4
71.01347	0.7
71.95238	0.4
83.04979	2.8
93.03393	4.8
93.07060	0.8
95.04964	0.7
97.02885	1.2
98.22747	0.7
98.97580	23.1
111.04442	11.6
111.08132	0.4
116.98619	13.5
121.02854	8.1
121.03978	1.8
125.02364	0.6
134.99649	4.0
139.03896	100.0
139.12309	0.8
140.00150	0.4
140.04250	3.2
155.83487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92693	2.9
53.76595	2.3
67.97198	2.3
70.93353	3.7
82.99862	6.1
99.82215	2.4
100.02480	6.8
101.00881	46.4
118.03510	11.3
119.01918	100.0
120.02013	4.8
124.02441	5.7
129.17068	2.4
130.96288	2.6
136.04567	6.1
137.02945	20.2
142.03499	39.8
145.54411	2.6
160.04535	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08557	1.6
65.78950	1.6
69.74780	7.0
82.99855	4.3
98.09693	2.7
100.02492	6.3
100.97145	1.9
101.00882	46.2
101.59680	1.7
102.00992	2.3
118.03529	7.4
119.01918	100.0
120.01958	5.2
124.02456	3.9
126.41550	2.0
136.04562	5.1
137.02948	18.6
142.03519	31.7
143.03505	2.8
160.04547	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03572	2.8
51.79840	2.6
54.76205	2.9
55.05517	3.5
56.05037	14.3
64.32288	3.2
67.75742	2.9
69.07063	5.0
70.96229	4.0
82.99858	7.7
98.09681	28.6
100.02496	5.7
100.97211	3.4
101.00888	46.5
113.30641	3.1
118.03544	12.8
119.01926	100.0
120.02016	4.6
124.02434	5.7
125.02400	4.7
132.19061	3.2
136.04581	7.7
137.02980	18.3
138.68501	3.5
142.03502	38.0
142.12277	4.1
160.04514	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	143.1067
Annotation	Cycloheptanecarboxylic acid
Peak:m/z	Relative Intensity
51.04003	0.7
53.03936	1.6
53.43861	0.9
55.05510	100.0
56.05845	2.2
60.95847	1.3
69.06712	1.6
69.07066	19.2
70.36404	2.0
83.08614	2.7
87.08087	2.1
97.10165	79.9
98.10492	2.0
102.96853	4.4
105.05820	0.8
119.01917	1.2
120.97886	4.4
121.00790	0.8
125.09576	1.2
128.06232	5.4
138.98970	2.0
139.01794	2.7
143.08640	2.0
144.28557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32780	0.8
55.61051	0.7
56.96566	2.2
58.57685	0.7
60.95856	26.2
69.99217	1.8
72.97614	0.8
75.94556	1.2
84.96038	3.7
84.99583	0.8
93.90705	0.7
96.18495	0.7
98.06042	0.8
98.97579	11.9
101.00883	1.6
102.00983	3.0
102.02238	1.2
102.96870	100.0
103.00634	8.4
103.01261	1.1
116.98625	9.8
119.01929	2.8
120.02010	13.5
120.03257	2.3
120.97907	67.3
121.00854	0.9
121.01663	23.0
121.98267	0.9
126.02139	0.9
134.99692	3.6
137.02917	1.0
138.03061	3.4
138.04297	2.2
138.98938	26.7
139.01775	1.4
139.02702	8.5
140.65440	0.7
143.99484	1.1
144.03217	8.5
144.04030	0.7
157.00018	2.5
162.04271	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52254	3.4
56.05035	4.3
57.04558	15.0
60.95856	23.2
65.79691	3.5
70.06235	6.8
70.06594	98.1
70.44244	6.7
71.04990	30.9
74.07207	12.1
79.03087	3.5
84.08154	20.3
84.99612	6.8
85.02916	9.8
85.06579	6.0
86.09684	3.9
86.52030	4.0
88.07617	8.8
97.02888	3.6
98.06053	11.6
98.09682	28.0
98.97584	11.7
101.66381	3.3
102.00935	24.2
102.02222	5.2
102.96870	100.0
103.00631	30.7
116.98602	6.9
119.01949	12.5
120.02016	53.1
120.03270	9.3
120.97907	61.5
121.00821	5.2
121.01652	96.5
137.02953	5.1
138.03065	18.2
138.04202	6.3
138.98990	18.4
139.01776	6.6
139.02715	16.4
144.03192	35.1
144.04907	5.1
144.10208	19.2
144.11330	14.1
162.04314	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	144.102
Annotation	2-Amino-3-cyclopropylbutanoic acid
Peak:m/z	Relative Intensity
55.01844	0.4
55.05516	2.9
56.05013	1.4
56.60860	0.4
56.96570	2.5
56.96788	0.5
57.03433	1.2
57.04562	4.1
57.07067	0.5
57.08368	0.4
59.36443	0.4
60.08158	0.5
60.95858	3.3
66.85883	0.4
68.10506	0.4
69.03420	1.1
70.06592	54.9
71.04994	12.6
71.06937	0.6
74.02435	0.9
74.07204	3.6
81.07051	1.3
84.08151	4.3
84.96029	1.4
85.02908	2.7
85.06537	6.2
88.07639	3.8
97.02846	0.5
98.09692	100.0
98.97588	6.2
99.04424	0.5
99.09415	0.5
99.10033	2.1
102.96868	16.4
110.01276	0.5
110.97639	0.4
112.08709	2.4
113.89223	0.5
116.98618	2.5
119.01882	0.7
120.02032	0.9
120.97903	8.4
121.01686	1.3
126.10309	0.6
134.99641	0.8
138.88712	0.4
138.98926	2.8
144.10223	28.2
144.11339	5.7
144.13802	1.0
145.10570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
51.62273	1.0
53.03944	8.7
55.01870	11.6
55.05501	4.7
56.05032	1.9
57.03436	16.5
58.52884	1.0
59.05000	1.4
61.02928	16.6
62.92985	1.8
65.59466	1.1
69.03430	52.3
71.01342	1.1
71.04990	4.4
72.08150	9.0
73.02912	2.7
74.02437	1.6
81.03423	14.2
82.06584	19.9
83.01334	2.5
85.02904	100.0
86.03225	1.1
86.06064	3.9
86.09684	2.9
87.04489	3.1
96.64474	0.9
97.02891	36.6
99.04466	6.1
99.09975	1.0
100.07623	17.6
102.38074	1.2
103.00630	2.2
109.02895	7.0
112.11268	1.1
115.03970	1.3
116.07069	2.0
121.00836	1.7
121.01621	6.3
121.52049	1.4
121.96635	4.0
127.03891	7.3
128.07085	3.8
132.55292	1.1
139.01755	2.3
139.02707	1.4
145.04962	2.2
145.07692	1.3
145.10567	1.1
146.08136	20.7
146.09241	1.5
163.01793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17423	4.1
53.03942	5.5
55.01866	8.9
55.05525	4.4
55.28616	4.2
56.05036	5.2
57.03440	26.1
58.06616	4.6
61.02921	17.2
62.92991	39.6
67.05505	6.0
68.04990	6.5
69.03432	43.1
69.35903	3.9
77.66764	4.3
81.03402	16.1
82.06580	19.3
83.01334	4.6
85.02911	100.0
85.08120	3.6
86.06073	10.3
87.04430	4.1
91.05499	6.4
97.02904	28.6
99.04425	7.8
100.07598	21.6
105.07003	18.9
109.02883	9.2
116.07048	7.4
117.07014	17.8
118.06538	7.1
121.00808	5.5
121.96645	81.3
127.03924	7.3
128.06223	4.6
130.07756	9.8
135.77509	4.3
139.01834	10.3
145.05031	5.7
145.06470	8.4
145.07553	7.6
145.10124	39.1
146.06102	5.8
146.08125	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0649
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
54.89170	0.8
55.05493	1.7
56.05025	1.8
57.03433	5.0
57.07071	0.9
62.92981	3.3
67.05517	0.8
68.05025	1.5
68.79721	0.7
69.03417	2.2
71.04984	1.2
71.44397	0.7
72.08134	3.1
79.05483	1.6
81.07058	5.2
82.06570	7.3
85.02914	3.8
85.06545	18.0
86.06067	3.4
87.04465	1.7
91.05482	5.7
95.19193	0.7
100.07619	8.9
103.05485	4.4
115.05458	14.9
116.07043	1.8
117.07021	50.1
118.06539	3.2
118.07306	1.5
121.01682	0.9
121.96650	8.3
127.03976	0.9
127.05463	4.7
128.04971	3.9
128.07056	2.0
136.61398	0.7
139.01775	1.3
141.93933	0.8
145.06490	100.0
146.05963	11.7
146.06938	2.7
146.08098	25.0
155.06041	49.8
156.06398	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.05516	1.4
56.05035	1.7
57.03438	7.4
58.06607	0.8
65.03956	0.5
68.05038	1.4
69.03429	1.2
70.06596	0.8
70.59434	0.5
71.05006	0.4
72.08157	3.4
74.02444	1.0
82.06580	9.8
84.04498	3.2
84.08150	0.8
86.06068	3.9
87.04481	1.8
91.05476	19.8
98.06051	1.2
100.07613	10.9
100.08241	0.8
100.11269	0.4
112.11275	0.6
116.07091	3.0
117.05762	3.9
118.06537	100.0
119.04929	0.8
119.06867	2.8
119.08562	0.9
120.79367	0.4
123.96490	0.7
128.04991	2.0
128.07051	1.7
130.05000	1.0
146.06013	22.5
146.08102	30.8
147.04407	3.9
147.06395	0.6
147.08145	0.9
154.22678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	trans-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
55.05262	1.3
55.05514	20.7
56.05037	6.0
57.03427	0.7
70.23708	1.4
74.02438	11.8
74.93593	0.7
82.06580	100.0
83.06915	1.8
84.08175	0.7
86.06047	4.5
87.04481	4.5
100.07619	92.5
101.07959	1.3
115.08721	0.7
128.07079	19.5
128.08037	1.2
146.08128	59.5
146.09193	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	146.0925
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
55.05261	1.3
55.05515	19.2
56.05033	7.7
57.03431	3.7
60.05357	1.2
60.05650	21.4
60.08167	2.4
66.69932	1.0
68.05009	2.0
69.03428	8.4
69.62312	1.7
69.62670	2.5
70.06581	1.5
74.02440	7.3
82.06581	81.2
83.06079	1.7
83.06881	1.4
84.04021	1.5
84.04507	26.9
84.08147	5.0
85.98240	1.1
86.06068	73.3
87.04468	100.0
98.23332	2.0
100.07619	93.2
100.11265	1.7
101.07148	1.0
101.07966	1.5
102.05504	1.1
103.44836	0.8
104.07108	16.3
111.05569	9.4
116.07116	2.2
128.07077	15.2
128.08191	8.3
129.06575	2.6
130.05000	11.7
146.08105	66.2
146.09247	60.8
146.11774	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	146.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.7
56.05038	9.0
57.03427	4.5
60.05649	22.0
60.08162	3.5
65.93187	1.0
68.05020	1.9
69.03437	6.7
69.62029	1.4
69.62376	3.0
70.06577	1.3
70.21829	0.9
71.62608	1.1
74.02442	8.8
74.03107	1.0
79.44923	0.9
82.06581	84.3
82.13911	0.8
83.06107	2.6
83.06922	1.6
84.04507	30.7
84.08142	5.1
84.29626	0.9
86.03235	1.4
86.06068	74.2
87.04468	100.0
88.04777	0.9
100.07617	98.5
100.11235	2.6
101.07938	1.0
104.07109	15.8
111.05557	11.6
115.26379	1.0
116.07111	1.6
128.07083	16.7
128.08202	10.6
129.06602	4.3
130.04999	12.2
146.08118	70.8
146.09258	58.1
146.11772	3.1
147.08488	1.0
147.09593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	N-METHYLISOLEUCINE
Peak:m/z	Relative Intensity
53.22066	0.3
55.05510	1.9
55.70029	0.4
56.05037	1.8
57.03444	2.5
58.06604	3.4
58.91426	0.3
59.96161	0.4
60.04509	0.4
60.05640	2.4
64.24158	0.4
68.05011	0.5
69.03417	1.0
69.07067	10.9
69.82079	1.1
69.82422	0.3
70.06564	0.6
71.07364	1.6
72.08152	3.1
73.06542	0.4
74.02435	0.8
77.84776	0.3
82.06580	7.5
83.06067	0.4
84.04492	0.5
84.08142	9.2
86.06069	7.6
86.34126	0.4
87.03970	0.7
87.04467	9.4
91.05466	1.0
98.23181	1.1
100.07621	8.3
100.11254	100.0
101.11585	2.2
104.07092	1.1
111.05578	0.7
112.11282	0.4
116.07110	0.6
118.08630	0.5
119.04934	1.3
128.07072	2.0
128.08208	1.2
130.04967	0.4
130.08640	1.5
146.06157	0.7
146.08118	12.0
146.09261	6.1
146.11774	3.1
147.04424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01896	1.4
55.05502	4.2
57.03436	21.4
59.05016	1.9
61.02935	3.8
61.15615	1.4
64.92819	4.4
67.14682	1.1
69.07072	1.1
69.80098	3.8
71.01350	1.4
71.04993	100.0
72.91541	1.1
73.02922	5.4
75.04475	2.6
79.05504	1.4
83.04991	3.2
84.04508	3.2
85.00678	1.1
85.01208	1.3
85.02904	71.7
87.04451	2.0
91.05476	14.2
105.04478	1.8
105.07037	7.8
105.07645	1.2
108.57874	1.5
111.04455	1.7
119.04967	8.2
119.08578	10.3
123.96465	10.7
147.04482	6.6
147.05406	1.8
147.06447	1.5
147.08167	2.7
147.09270	1.8
147.11653	8.4
148.07512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05510	15.4
57.03416	0.8
64.92809	15.7
67.05499	3.6
68.92727	0.8
69.07072	4.5
70.04057	0.9
72.04485	3.4
77.03903	1.2
79.05489	8.2
81.07059	2.6
81.75844	0.8
84.04514	2.5
84.08109	1.0
91.05476	42.3
92.05791	1.1
93.07039	3.3
95.04964	1.8
98.22608	1.8
103.05457	3.6
104.06222	1.3
105.07025	97.9
105.95421	1.6
106.07349	1.7
107.04958	11.3
107.08582	4.6
113.74669	0.8
117.07009	13.2
119.08574	100.0
120.08868	4.4
123.96453	28.8
128.06110	1.3
129.06990	2.2
130.05029	0.9
131.08566	1.6
132.05719	5.5
132.09370	4.2
145.06490	1.1
145.10094	6.3
146.06850	1.0
146.98051	4.1
147.04430	1.4
147.05527	2.3
147.08052	33.6
147.09167	3.3
147.11682	60.2
148.07523	2.6
148.12035	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
55.05513	3.2
57.07079	2.1
65.03938	6.6
69.07072	4.1
71.72338	1.0
79.05490	8.6
91.05473	11.9
93.03400	2.3
93.07053	16.4
95.04945	2.9
95.08620	1.3
103.05473	2.0
105.07034	30.6
106.07849	1.9
106.59444	1.1
107.08597	42.2
109.06525	2.8
113.27020	1.3
119.06071	1.7
119.08601	10.9
120.09376	1.6
121.02923	6.5
121.04021	4.3
121.10147	100.0
122.10483	3.3
123.08094	3.0
133.07620	4.3
133.10103	2.5
134.10912	2.6
149.02348	20.8
149.09633	4.9
149.13268	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03951	1.9
55.05512	10.8
57.07080	8.1
65.03941	26.3
66.93535	1.1
67.05499	2.8
69.07069	19.0
69.33459	5.3
77.03903	2.4
79.05489	17.3
81.07049	7.3
83.08642	1.3
89.47659	0.9
91.04940	1.9
91.05482	25.1
92.05847	1.2
92.65102	0.9
93.03408	8.6
93.07044	52.5
94.07341	1.6
95.04969	4.6
95.08597	3.7
103.05462	1.9
105.03397	2.1
105.04494	2.4
105.07030	21.2
106.04184	1.2
107.08591	66.1
108.09427	2.0
109.06490	4.3
111.04466	5.9
119.06059	3.5
119.08568	5.4
121.02860	45.2
121.03973	15.3
121.06482	3.6
121.10139	50.6
122.03197	2.1
122.10490	1.3
123.08037	1.0
125.43741	1.0
131.08566	1.9
133.07619	2.4
133.10109	1.5
134.10938	2.6
149.02338	100.0
149.05972	2.4
149.09642	4.8
149.13252	22.0
150.02661	4.2
150.13600	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	(R)-4-hydroxymandelonitrile
Peak:m/z	Relative Intensity
52.12161	0.2
53.92342	0.3
55.05503	0.2
65.03933	0.6
66.04265	0.9
69.56882	0.9
72.93788	0.7
77.03918	0.2
79.05492	0.3
81.07059	0.3
88.07609	0.3
90.90379	0.9
90.94822	0.5
91.05470	0.7
93.07063	0.4
95.04942	1.0
104.04982	8.4
104.07076	0.3
105.07029	1.8
106.29813	0.2
108.95868	0.3
119.04903	0.3
121.02870	0.4
122.03205	2.0
122.04280	0.6
132.04445	100.0
133.04800	2.7
149.48079	0.2
149.94075	0.6
150.02661	6.7
150.03685	0.6
150.05397	0.3
150.07805	0.2
150.09125	0.9
150.12798	0.4
150.96864	0.7
151.02840	0.3
151.03909	0.9
151.04980	0.3
151.07541	0.5
151.11134	0.2
164.93201	0.2
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	Piperonal
Peak:m/z	Relative Intensity
53.03934	1.3
55.01874	4.1
55.05507	0.9
57.03416	0.5
65.03944	12.0
67.05508	13.8
71.07861	0.5
77.03930	2.3
79.05480	2.2
80.02629	1.4
81.03426	0.7
81.07063	4.9
91.05480	10.4
93.07051	3.6
95.04968	11.6
95.08611	1.6
105.03400	0.8
105.04541	2.8
105.07034	3.6
107.08594	4.9
108.01421	1.3
108.02103	14.9
109.02903	0.9
109.06532	2.4
109.10177	3.7
111.04445	3.2
112.66740	0.5
113.15990	0.5
119.04941	4.0
121.03992	2.3
123.04429	15.4
123.05284	1.1
123.08067	2.1
123.11697	2.5
133.02820	0.7
133.10132	1.8
136.01582	1.9
141.05457	9.7
150.96950	0.7
151.03906	100.0
151.05045	41.4
151.07469	5.3
151.11191	3.6
152.04272	3.3
152.05389	0.9
163.83276	0.5
166.29939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Piperonal
Peak:m/z	Relative Intensity
53.03944	1.7
54.13841	0.5
55.01878	3.5
55.05513	6.2
65.03939	14.4
67.05504	11.5
67.05868	0.6
69.59335	1.3
77.03922	2.7
79.05485	1.3
80.02635	1.6
81.07053	4.4
91.05474	6.3
93.03429	1.0
93.07040	2.1
95.04968	8.9
95.08582	1.0
97.06564	0.8
98.22707	0.5
105.04523	2.4
105.07044	2.0
107.08589	1.8
108.02094	17.6
109.02967	0.7
109.06548	1.2
109.10130	2.5
111.04444	3.7
119.04922	3.4
121.03981	5.4
123.04408	2.9
123.11706	1.8
132.42972	0.5
133.10152	0.9
136.01572	2.0
141.05464	8.2
141.16570	0.5
141.79543	0.5
151.03909	100.0
151.05043	33.3
151.07449	4.7
151.11142	2.6
152.04272	2.2
152.05418	0.8
154.02625	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.93305	0.4
55.01877	2.8
55.05511	14.0
59.04994	0.6
65.03943	21.3
67.05506	13.8
68.99784	0.8
69.03416	0.4
69.94453	0.4
70.71837	0.8
72.29298	0.4
77.03905	0.6
79.05493	1.4
80.02621	1.4
81.03406	0.6
81.07056	6.4
82.00523	0.6
91.05479	2.4
93.03375	1.9
93.07053	3.4
95.04967	13.8
95.08616	3.6
97.06540	2.1
98.03676	0.6
105.04533	0.9
105.07051	2.8
107.08600	2.4
108.02099	33.1
109.02457	0.5
109.06512	4.0
109.10159	4.0
111.04444	14.1
121.03989	19.9
121.10156	0.5
123.04443	3.4
123.08128	1.9
123.11696	1.7
133.10144	1.2
136.01546	3.5
139.35545	0.4
151.03906	100.0
151.07492	4.1
151.11194	4.8
151.12292	0.7
152.04259	2.2
154.02606	14.7
169.52388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.03942	0.7
55.01857	1.4
55.05487	0.5
59.04991	0.6
65.03927	1.5
67.05166	0.6
67.05502	8.2
68.99795	0.7
69.24763	2.3
77.03913	0.9
79.05489	2.5
81.03420	0.4
81.07071	3.4
91.05477	8.9
93.07043	5.6
95.04962	13.4
95.08585	0.8
103.05473	3.1
105.04546	1.0
105.07019	4.0
107.04980	0.4
107.08591	2.7
108.05751	2.2
109.06514	2.3
109.10143	1.4
118.04179	1.2
119.04951	2.1
121.06513	1.5
123.04423	100.0
123.08032	5.2
123.11710	1.0
124.04745	2.1
125.05984	0.4
133.02859	0.4
133.06490	2.9
133.10138	2.0
136.05170	2.0
141.05437	0.5
151.03905	40.2
151.07533	20.9
151.08606	1.1
151.11153	3.3
152.04265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Piperonal
Peak:m/z	Relative Intensity
53.08438	0.7
55.01793	2.6
61.79328	0.6
65.03863	17.3
65.04228	1.7
67.05424	9.8
68.99711	5.7
69.76598	1.1
77.03886	1.0
79.05424	1.3
80.02557	2.3
81.07055	4.5
89.05966	1.1
91.05415	2.1
93.03371	0.8
93.06988	1.6
94.06308	0.5
95.04965	34.6
95.08569	1.8
98.22758	1.3
101.81738	0.6
105.04478	1.5
105.06997	1.0
107.08556	2.2
108.02097	50.1
109.02334	0.8
109.06448	1.4
109.10145	0.9
111.04443	12.4
121.03968	9.8
123.04428	7.7
123.11693	1.3
133.10094	1.9
136.01587	0.8
136.05168	0.7
141.05464	100.0
142.05794	2.6
143.05887	0.6
151.03920	85.3
151.05045	14.0
151.07538	2.1
151.11203	2.9
152.04239	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	151.0755
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03944	1.7
55.01867	1.5
57.05139	0.6
61.74567	0.6
65.03934	2.4
65.66638	0.6
67.05505	3.8
68.69897	0.5
71.43308	0.6
77.03936	2.1
79.01858	1.3
79.05499	4.7
80.06271	1.8
81.07047	2.3
90.04678	0.6
91.04945	1.2
91.05486	19.4
93.07050	7.2
94.04205	1.4
95.04974	6.9
95.08582	1.8
103.05492	2.9
105.04533	3.0
105.07030	2.5
107.04937	0.9
107.08582	1.3
108.02108	0.7
108.05741	10.6
109.06520	2.8
109.10159	0.8
118.04150	1.7
119.04929	1.9
121.06515	8.5
123.04422	1.9
123.08076	7.4
133.06471	1.3
133.10170	0.7
136.05197	16.1
139.07549	0.7
151.02887	0.9
151.03905	5.8
151.05008	2.6
151.07544	100.0
151.11186	2.2
152.07962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03942	1.5
55.01872	1.5
55.05492	0.4
58.55353	0.3
63.25797	0.3
65.03931	1.9
65.14226	0.3
67.05503	3.1
69.45066	1.3
77.03922	2.0
78.04702	0.3
78.56950	0.3
79.01830	0.5
79.05486	4.3
80.06247	1.2
81.07049	0.9
90.04692	0.8
91.05478	20.3
93.07043	7.1
94.04173	1.0
95.04963	6.6
95.08579	1.6
98.23477	0.6
103.05471	2.9
105.04517	2.2
105.06998	1.1
107.04948	2.6
108.02084	0.3
108.05731	9.1
109.06506	1.4
109.10150	0.7
118.04148	1.8
119.04908	1.8
121.06499	11.5
123.04420	0.9
123.07140	0.5
123.08064	9.6
133.06471	1.3
135.04417	0.7
136.04173	0.7
136.05190	11.3
139.07532	1.2
141.05432	0.9
149.06041	0.3
149.07118	1.0
151.04106	2.3
151.07530	100.0
152.07869	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03928	1.8
55.01862	4.4
55.05508	12.9
57.03425	3.8
57.07036	1.3
58.29375	1.5
64.32339	1.5
65.03925	3.5
67.05503	56.5
69.03428	8.9
69.07065	5.8
69.71671	5.2
71.05005	2.5
79.05490	39.4
81.07055	53.3
83.04977	19.5
85.06541	2.5
85.46626	1.4
89.06052	2.4
91.05479	57.9
93.07043	39.0
95.04968	17.2
95.08608	16.6
97.06494	1.6
105.04491	1.8
105.07027	72.1
106.00084	1.1
106.07329	1.8
107.08589	100.0
108.08908	2.2
109.06501	16.9
109.10154	37.1
110.10492	1.3
114.06944	1.3
119.06101	2.4
123.08078	2.2
123.11687	8.5
131.08568	4.0
133.10123	82.7
134.10446	2.0
148.35188	1.2
151.11176	89.5
152.11456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02982	0.6
59.04976	0.2
59.74453	0.2
61.78439	0.2
62.29023	0.2
66.90843	0.2
67.34934	0.2
69.03428	0.3
70.82626	0.3
79.01849	0.9
79.05482	0.6
82.04074	0.4
83.04953	0.3
85.02897	0.3
85.68911	0.2
97.02907	0.4
103.90997	0.2
106.06522	0.4
107.01334	1.2
107.03551	0.4
107.04961	0.6
108.08105	0.9
108.08867	0.2
109.05123	1.8
110.03526	9.9
110.97569	0.3
115.02421	0.2
117.25626	0.2
124.07529	0.4
125.02350	0.5
125.05944	0.5
128.04565	4.4
128.98621	0.6
133.03421	0.3
134.04640	1.0
134.06009	1.3
135.03023	18.7
136.01379	0.3
143.03419	0.6
146.99573	0.3
147.01381	0.4
152.05669	100.0
152.10574	1.3
153.01842	2.2
153.04073	24.6
153.05888	1.3
154.02461	0.6
154.04420	0.3
159.31668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.9
50.63343	0.4
51.02377	4.0
51.10782	0.4
52.51984	0.5
55.05502	1.6
55.58340	0.5
65.17686	0.5
67.05504	0.9
69.03426	1.8
69.07053	0.6
70.95871	1.3
71.89886	0.5
79.01855	35.9
79.05495	2.0
80.02178	0.7
81.03442	1.1
81.07058	0.8
83.01349	0.6
83.04980	1.9
91.05476	1.0
93.07047	1.6
95.04971	1.7
95.08600	0.9
97.02898	5.5
97.06524	1.9
98.22707	1.2
105.04514	0.5
107.01320	8.2
107.04912	0.8
107.08624	1.5
109.06495	0.7
109.10143	1.0
111.08109	1.1
119.45721	0.5
121.02875	5.0
123.00835	1.3
125.02355	11.6
125.05967	1.3
125.09636	1.1
126.02636	0.5
135.04416	11.9
135.08099	0.7
135.11714	0.8
137.70300	0.5
143.03395	28.0
144.03725	1.0
153.01833	100.0
153.02975	22.6
153.05473	1.9
153.09073	1.7
153.12720	4.7
154.02197	2.9
154.03339	0.6
172.23737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.4
51.02369	2.5
52.18789	0.6
53.03952	0.5
54.53411	0.5
69.03423	1.0
69.27383	0.6
70.63089	1.2
77.03922	1.1
79.01853	29.3
79.05463	1.6
81.03408	1.9
81.07050	1.1
93.07015	1.1
95.04951	1.9
95.08598	1.1
97.02888	4.7
97.06511	0.9
106.70420	0.6
107.01308	5.9
107.04953	0.9
107.08603	1.2
115.93701	0.5
121.02829	0.9
123.00797	0.9
125.02350	12.7
125.05939	0.7
135.04410	28.2
135.08008	0.6
135.11606	0.9
143.03394	27.4
153.01814	100.0
153.02966	22.5
153.09056	1.1
153.12648	0.9
154.02147	2.8
171.23239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Methyl salicylate
Peak:m/z	Relative Intensity
55.01867	0.8
55.05505	1.6
57.03412	1.0
59.05000	0.8
63.78376	0.6
65.03931	2.9
66.55154	0.5
67.05505	2.2
69.03439	0.6
69.07060	2.9
69.50932	2.1
70.95861	1.3
71.04994	1.8
71.95286	0.7
79.05505	3.6
81.07056	7.6
83.04981	1.1
85.19147	0.4
91.05484	2.0
93.03413	1.5
93.07042	11.0
93.89481	0.5
95.04968	9.3
95.08610	7.6
97.06519	3.9
105.07033	1.1
107.08600	17.0
109.06516	8.1
109.10140	4.1
111.04443	1.1
111.08081	2.3
121.02869	100.0
122.03207	1.6
125.06029	0.7
125.09591	1.0
128.72041	0.5
135.04416	2.9
135.08064	1.5
135.11679	7.5
135.49095	0.4
136.09413	0.4
148.97440	0.5
153.01852	1.3
153.05467	6.5
153.09119	1.1
153.12729	5.1
153.13860	0.6
166.42999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	o-Anisic acid
Peak:m/z	Relative Intensity
51.02371	0.3
53.03943	1.4
55.05493	0.3
69.07056	0.4
69.91657	0.4
77.03924	3.6
79.05491	3.3
81.03403	0.2
81.07011	0.2
92.02608	1.7
93.07039	0.2
95.04965	5.9
105.03431	0.8
105.04501	3.0
107.04964	0.7
120.02036	0.5
121.02855	3.0
135.04404	100.0
136.04747	1.8
136.07584	0.2
138.03052	0.2
147.17664	0.1
153.01866	0.3
153.05461	0.5
172.40306	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	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
65.03947	3.9
67.05500	0.8
69.07069	0.6
69.11050	0.9
69.11457	2.9
70.32269	0.5
70.95874	1.0
79.01826	1.4
79.05501	1.3
80.34238	0.5
81.07077	0.7
93.03402	2.0
93.07059	1.5
95.04955	1.6
95.08588	0.7
98.23439	1.3
107.08601	1.3
109.06481	0.7
109.19270	0.6
110.03698	0.7
111.04429	1.5
111.98398	0.6
121.02869	100.0
121.77877	0.5
122.03200	2.1
125.02354	1.0
125.06017	2.6
135.04396	0.9
135.11688	0.6
137.57384	0.5
143.03377	1.1
153.01857	5.2
153.02951	1.2
153.05473	8.5
153.09090	0.9
163.61609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	o-Anisic acid
Peak:m/z	Relative Intensity
51.02390	0.4
53.03952	2.2
55.01867	0.7
55.05513	2.3
59.04993	0.6
67.05495	1.1
69.07076	2.1
69.46456	1.4
70.94238	0.4
70.95853	1.3
71.04993	3.5
72.43810	0.3
73.06551	2.7
77.03920	3.3
79.01853	0.6
79.05499	7.4
81.07058	10.2
83.04989	1.1
83.48016	0.3
85.12794	0.3
90.76563	0.3
91.05486	1.7
92.02640	1.9
93.07056	5.8
95.04969	6.7
95.08619	1.3
97.06539	1.4
105.03400	0.8
105.04512	3.8
105.07015	0.8
107.04985	0.8
107.08595	6.8
109.06520	0.6
109.10159	2.0
111.08070	1.1
119.08548	0.4
125.05992	0.4
125.09655	0.5
130.96304	0.8
135.04416	100.0
135.11703	3.2
136.04742	2.2
138.03136	0.3
148.97371	0.7
153.01834	1.1
153.02937	0.7
153.05464	1.0
153.09100	0.5
153.12755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.85759	0.3
61.48942	0.3
65.03940	3.6
67.05530	0.3
69.26366	1.0
69.26775	0.7
70.53468	0.3
79.05493	0.5
80.09570	0.3
81.07044	0.5
93.03413	1.8
93.07065	0.4
95.04966	1.1
107.08606	0.7
108.28162	0.3
111.04443	1.2
117.27455	0.3
121.02870	100.0
122.03217	1.7
135.04460	0.4
135.22398	0.3
146.28720	0.3
153.05475	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	153.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.1
51.02373	0.2
53.03946	1.2
55.01864	0.2
55.05510	0.7
67.05513	0.4
67.95619	0.1
69.03433	0.1
69.07069	2.2
69.71823	0.4
69.72156	0.1
70.94273	0.2
70.95857	0.3
71.04974	0.3
71.07533	0.1
73.06538	0.3
77.03931	2.4
79.01849	0.5
79.05039	0.2
79.05495	3.3
81.03426	0.1
81.07058	0.8
81.21991	0.1
91.05470	0.2
92.02616	1.4
93.07035	0.8
95.04968	6.2
95.08611	0.2
97.06499	0.2
105.03384	0.4
105.04517	2.8
107.04961	0.7
107.08603	1.0
109.10181	0.2
111.08055	0.2
116.48486	0.1
120.02064	0.4
121.02863	0.5
125.02399	0.2
130.96321	0.2
135.04414	100.0
135.11719	0.4
136.04753	2.5
136.07538	0.2
138.03137	0.2
138.89432	0.1
143.03389	0.4
148.97354	0.3
153.01831	1.4
153.02982	0.3
153.05464	0.5
153.09128	0.2
153.12779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
52.74703	0.6
53.03949	1.5
55.01873	4.8
55.05510	2.8
55.93518	0.6
57.03431	2.4
62.24166	0.5
65.03941	0.9
65.49337	0.5
67.02966	0.5
67.05495	4.8
68.96332	4.0
69.03426	1.1
69.07071	2.2
70.94259	3.7
70.95863	2.3
71.01353	0.7
71.94097	0.7
71.95265	1.0
77.03925	0.9
78.14188	0.5
79.01853	1.0
79.05489	31.1
80.05849	0.8
81.03407	1.2
81.07050	8.2
83.04978	2.4
84.91846	0.6
85.02909	1.5
85.06563	0.8
86.97387	0.9
88.95306	0.8
88.96909	1.2
91.05470	6.6
93.07040	13.7
93.07612	1.0
95.04955	6.5
95.08601	0.7
97.06540	1.6
105.04483	1.1
105.07034	1.8
106.84950	0.5
107.04945	9.2
107.08595	12.4
109.06504	4.1
109.98957	1.9
111.04446	5.4
111.08075	4.2
111.96906	1.0
111.98473	1.0
115.05458	1.3
117.07016	7.5
125.05988	20.0
125.09636	2.5
126.06347	0.5
126.18696	0.6
128.00040	0.7
128.51915	0.6
129.05493	1.1
129.97940	1.3
130.96291	4.2
135.04408	100.0
135.08041	18.1
136.04753	3.0
136.07527	1.2
138.84966	0.5
143.03429	0.6
148.97351	8.4
153.01811	1.8
153.02940	1.2
153.05499	3.4
153.09096	23.0
153.12639	0.5
154.08563	0.8
160.37822	0.5
171.98856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1023
Annotation	2814-20-2
Peak:m/z	Relative Intensity
66.66582	0.4
66.96300	0.5
69.27154	2.5
70.94267	0.8
70.95865	3.4
71.95268	8.5
79.05464	0.5
82.06564	0.9
83.04974	1.4
83.06103	24.8
88.96915	1.1
93.07031	0.6
94.06562	2.3
95.04939	0.6
96.08131	0.6
97.07632	1.3
99.05598	0.9
109.07606	0.9
110.08420	1.6
111.05495	0.7
111.98463	1.2
112.97886	0.4
119.06004	0.5
120.95869	0.4
123.05556	8.5
125.10752	2.7
135.04425	0.5
138.07878	29.9
148.97365	1.0
153.10223	100.0
154.10600	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.79779	0.5
52.09687	0.5
53.03939	0.5
53.43105	0.4
55.05510	4.2
57.03421	1.4
57.07067	1.2
59.05006	0.9
65.03925	0.8
67.05504	7.9
68.96324	1.9
69.03423	0.9
69.07068	8.5
70.94278	2.6
70.95857	1.8
71.04993	1.5
71.95240	0.9
73.06534	0.6
77.03919	1.1
79.01831	1.2
79.05492	12.0
81.02943	0.6
81.07056	10.7
83.04984	4.1
83.08617	1.8
88.95274	0.6
91.05473	8.2
93.07043	65.9
94.07381	1.7
95.04971	3.8
95.08605	51.8
96.08929	0.9
97.06538	6.2
99.35931	0.6
105.04524	1.2
105.07034	2.7
107.04962	2.3
107.08591	100.0
108.08929	1.5
109.06525	2.2
109.10152	9.6
109.98956	1.7
111.08057	0.7
111.96873	1.2
111.98478	0.6
119.06059	1.1
125.05947	2.5
130.24797	0.6
130.96298	3.0
135.03436	0.9
135.04404	6.8
135.07999	1.1
135.11691	41.6
135.16234	0.6
136.12061	1.3
138.03125	2.2
148.97350	5.3
153.01831	3.1
153.02907	1.0
153.05447	8.0
153.09145	1.3
153.10240	0.8
153.12746	13.2
171.98929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.05512	10.5
57.03421	2.5
57.07067	5.0
59.05013	8.0
65.03933	1.2
67.05502	22.9
68.99772	1.5
69.03419	7.3
69.07066	31.8
70.94255	3.0
70.95854	5.1
71.04992	20.7
71.95258	2.4
73.06546	10.1
77.34437	1.5
79.01823	1.5
79.05492	22.0
81.07054	52.6
83.04967	5.3
83.08617	4.3
91.05476	15.4
93.07042	44.8
95.04963	3.8
95.08601	54.4
97.06530	32.4
105.04537	2.8
105.07031	6.4
107.04931	1.7
107.07494	1.4
107.08588	70.3
109.06498	5.5
109.10153	100.0
110.10469	2.2
111.08071	6.8
111.96896	1.3
111.98425	1.7
119.08582	8.5
120.09350	1.5
120.44887	1.4
121.02859	3.8
125.05970	7.6
125.09658	1.9
125.13243	1.8
130.96275	2.6
135.04395	4.1
135.08121	2.3
135.11687	50.1
143.03345	1.3
148.97360	4.0
153.01851	11.2
153.02966	2.2
153.05479	8.7
153.09193	3.0
153.10262	2.5
153.12735	38.7
153.13655	1.4
154.13069	1.4
160.53769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03958	0.9
55.05504	5.2
57.03425	1.7
57.07080	5.1
59.01555	0.5
59.04980	1.0
65.03912	0.6
67.05505	9.4
69.03423	0.9
69.07062	8.0
70.32993	1.2
70.74842	0.5
70.94268	0.8
70.95851	1.7
71.04995	3.7
71.95257	3.2
73.06551	1.8
77.03915	0.9
79.05488	10.3
81.07050	18.6
83.04985	3.1
83.08607	1.8
85.06541	2.0
91.05476	7.6
93.07037	65.5
94.07363	0.7
95.04966	2.7
95.08599	56.9
96.08961	0.9
97.06523	5.5
98.23507	0.5
105.04532	0.9
105.07038	3.0
107.08585	100.0
108.08905	2.0
109.06512	1.4
109.10146	7.2
111.08043	0.8
119.06087	1.1
125.05979	2.2
130.96271	0.7
135.08020	1.5
135.11681	39.6
136.12012	0.8
148.97388	1.2
153.05440	1.7
153.09114	1.2
153.12735	13.3
154.12282	0.7
174.17542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03957	3.1
55.01879	3.5
55.05508	13.8
57.07090	4.3
59.04995	10.2
63.06327	2.5
67.05514	9.0
68.96345	4.7
69.03428	3.1
69.07074	16.2
69.20615	14.2
70.94254	6.1
70.95864	16.6
71.04631	4.4
71.04993	45.4
71.95266	18.1
73.06554	21.9
79.01858	3.5
79.05489	28.7
81.07056	100.0
83.04978	9.4
88.96885	3.1
91.05482	9.6
93.07042	50.5
95.04966	7.9
95.08611	10.8
97.05988	2.9
97.06513	15.6
107.08593	49.3
109.10171	12.7
109.98869	2.6
111.08081	13.2
111.98424	4.5
121.79818	2.3
130.96260	2.8
135.04433	5.3
135.08066	6.3
135.11682	42.0
136.11960	3.1
143.03442	3.4
148.97366	8.8
153.01846	7.7
153.05386	3.0
153.09097	8.8
153.10208	3.8
153.12749	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
50.14294	1.8
55.01848	1.6
55.05510	9.3
57.03425	4.2
57.07069	2.3
65.05037	1.7
66.89656	1.6
67.05213	1.9
67.05505	23.3
69.06712	2.5
69.07067	35.3
69.86058	6.0
70.95866	8.8
71.04995	2.5
71.94917	2.8
71.95266	27.9
79.05505	22.6
79.07213	2.0
81.07054	29.5
83.04977	3.7
83.08606	3.8
88.96885	3.8
90.39863	1.5
91.05495	2.4
93.07046	33.4
95.04947	2.0
95.08598	15.5
97.06531	13.7
98.23408	2.2
102.37307	1.6
103.97592	1.8
105.07037	2.0
107.08595	39.4
107.09243	1.5
109.10153	31.1
111.08068	4.6
111.98468	3.4
112.97724	1.9
130.98915	2.1
135.11688	100.0
148.97446	2.4
153.05530	2.3
153.07384	5.0
153.12743	98.1
154.09743	1.7
157.27756	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03935	2.3
55.05512	10.5
57.03421	2.5
57.07067	5.0
59.05013	8.0
65.03933	1.2
67.05502	22.9
68.99772	1.5
69.03419	7.3
69.07066	31.8
70.94255	3.0
70.95854	5.1
71.04992	20.7
71.95258	2.4
73.06546	10.1
77.34437	1.5
79.01823	1.5
79.05492	22.0
81.07054	52.6
83.04967	5.3
83.08617	4.3
91.05476	15.4
93.07042	44.8
95.04963	3.8
95.08601	54.4
97.06530	32.4
105.04537	2.8
105.07031	6.4
107.04931	1.7
107.07494	1.4
107.08588	70.3
109.06498	5.5
109.10153	100.0
110.10469	2.2
111.08071	6.8
111.96896	1.3
111.98425	1.7
119.08582	8.5
120.09350	1.5
120.44887	1.4
121.02859	3.8
125.05970	7.6
125.09658	1.9
125.13243	1.8
130.96275	2.6
135.04395	4.1
135.08121	2.3
135.11687	50.1
143.03345	1.3
148.97360	4.0
153.01851	11.2
153.02966	2.2
153.05479	8.7
153.09193	3.0
153.10262	2.5
153.12735	38.7
153.13655	1.4
154.13069	1.4
160.53769	1.3
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
53.00290	0.7
53.03933	2.0
55.05264	1.1
55.05510	11.9
57.03421	0.8
57.07078	1.2
59.05009	5.3
65.03931	0.7
67.05520	4.6
69.07069	10.9
69.69080	2.9
71.04993	38.4
73.06156	1.3
73.06560	23.4
77.03910	1.0
77.62020	0.9
79.05495	21.9
81.07056	100.0
82.07378	1.9
83.04990	1.5
83.08639	2.1
85.06528	1.4
91.05473	8.2
93.07043	41.7
94.07336	1.2
95.04971	1.9
95.08597	7.4
97.06533	5.2
105.07018	1.9
105.25346	0.7
107.08595	35.4
108.08947	0.9
109.10133	5.8
111.08092	3.9
119.06013	0.8
119.08529	1.0
135.11693	33.0
135.38206	0.7
136.11937	0.8
153.12744	13.4
155.94237	0.9
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
53.03939	4.1
55.05506	13.1
59.05003	11.2
69.07066	6.6
69.65696	9.8
71.04992	38.7
72.48756	2.6
73.06572	19.7
79.05494	27.7
81.06572	5.1
81.07055	100.0
91.05493	9.3
93.07044	45.4
95.04954	3.5
95.08605	7.4
97.06532	5.7
98.23403	4.6
107.08592	41.7
108.81048	3.2
109.06537	4.2
109.10176	8.1
111.08105	4.5
135.04231	2.9
135.11682	23.8
153.12733	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01224	1.6
50.81806	1.4
53.03957	3.7
55.05511	10.7
55.22848	1.5
59.04994	6.8
61.93033	1.6
66.80527	1.8
67.05499	4.6
67.34413	1.5
69.07075	10.1
69.77879	3.2
69.78205	2.1
71.04994	46.9
73.06563	23.8
74.17970	1.6
77.93584	1.4
79.05501	28.3
81.03439	1.5
81.07058	100.0
82.07444	2.1
91.05483	9.6
93.07046	41.4
95.04995	3.6
95.08603	7.1
97.06517	5.4
105.07012	3.1
107.08595	37.9
109.10166	8.6
111.08074	3.4
111.71055	1.8
119.08621	1.8
121.02866	23.5
125.80364	1.8
130.36452	1.5
135.04349	3.9
135.11703	29.6
153.12740	14.1
169.96034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	2.6
55.05509	23.0
56.11499	1.5
57.03443	4.3
57.07094	4.5
59.04999	8.7
65.03961	2.1
67.05496	17.1
69.03431	4.3
69.07066	37.3
70.72568	3.9
70.95860	3.5
71.04991	33.1
71.95258	2.0
73.06553	20.5
79.01856	7.5
79.05492	39.2
81.07054	100.0
83.04985	5.2
83.08622	3.8
91.05473	12.1
93.07043	54.2
95.04957	8.0
95.08609	20.6
97.06530	22.5
105.04516	3.6
105.07030	4.8
107.04953	6.4
107.08588	54.1
108.56445	1.7
109.06528	4.8
109.10153	39.3
110.03649	4.4
111.04433	2.1
111.08086	6.0
119.08585	4.4
125.02357	3.9
125.05997	14.9
125.09612	2.2
130.96349	3.2
135.04430	7.7
135.11688	37.0
135.12663	3.1
138.03116	2.9
143.03381	5.9
148.97337	3.1
153.01836	23.5
153.02968	4.3
153.05466	20.0
153.09058	12.2
153.12737	24.7
153.13875	2.9
153.82166	2.2
154.08563	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.05520	8.6
57.07073	5.4
59.04990	4.3
67.05505	9.1
69.07054	10.7
70.02848	1.6
70.75831	2.0
71.04984	20.0
73.06557	10.5
79.05486	14.3
81.07054	48.0
83.04990	5.5
83.08626	3.1
88.07222	1.6
90.33088	1.7
91.05470	10.7
93.07043	82.4
95.04980	5.4
95.08603	60.2
97.06519	15.6
98.39789	1.6
105.04508	1.6
105.07058	3.2
107.08589	100.0
108.08951	2.7
109.06542	3.7
109.10140	14.4
111.08054	2.4
113.50298	2.2
114.76748	1.8
121.02863	12.9
121.03630	1.8
135.11693	49.3
153.05499	1.9
153.12740	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
53.58995	0.3
55.05516	3.6
57.07078	5.2
58.15958	0.4
58.16301	0.4
61.56829	0.3
63.84887	0.4
65.03962	0.6
67.05498	1.7
68.96335	2.0
69.03421	0.5
69.07069	0.7
69.45554	1.5
69.96178	0.7
70.94257	1.1
70.95830	0.3
71.94112	1.0
71.95268	2.5
72.93789	4.4
74.84561	0.4
79.05486	1.7
81.07059	6.5
82.07374	0.9
83.04976	1.4
83.08624	1.0
84.08171	0.4
85.06541	1.2
86.97352	0.6
90.94818	1.8
91.05480	0.8
93.05749	0.4
95.04964	0.7
95.08585	0.7
97.05280	1.9
98.06054	2.2
98.06639	0.3
98.09683	1.3
98.22626	0.4
98.95467	0.4
108.08115	2.7
108.08890	0.7
109.06522	4.7
109.10154	1.4
109.98942	0.7
110.06048	2.8
111.04465	1.8
111.06826	2.2
113.96402	3.6
125.08408	0.7
126.05511	0.5
126.09150	3.0
129.08977	0.4
130.96292	2.8
131.96146	3.4
131.97440	2.1
135.02122	0.4
136.07591	0.8
137.02226	0.6
137.06000	0.7
139.06276	3.2
148.97359	5.3
149.97209	4.7
151.83406	0.4
152.07094	0.5
154.08627	100.0
155.07080	2.5
155.08974	3.2
155.10791	0.4
155.14279	0.5
171.98914	0.4
172.98901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80281	0.9
70.06603	2.2
70.44794	2.0
74.09721	16.0
82.05315	1.2
82.08004	1.0
83.06095	4.6
89.65823	0.9
93.04522	3.5
95.06074	3.6
96.96918	3.2
110.07167	52.0
112.05260	6.0
130.06306	18.4
146.32495	1.1
156.04213	100.0
156.07654	6.1
157.04565	2.0
161.32130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.93533	0.2
56.05042	0.6
56.96575	0.4
58.06600	0.2
68.05044	0.7
70.06596	2.3
70.95865	3.2
72.93793	2.1
74.02441	0.2
74.09722	1.2
77.33778	0.1
81.04545	0.5
82.05318	2.2
82.99847	0.2
83.06107	9.8
88.96900	0.6
89.09191	0.1
90.94836	0.6
93.04527	6.0
95.06094	6.8
96.04496	0.3
96.83327	0.1
97.07623	0.3
98.06052	0.2
101.00895	0.9
103.19532	0.1
110.07163	100.0
110.86800	0.1
111.05583	0.7
111.06854	0.2
111.07501	1.3
111.98473	1.7
112.05302	0.2
112.08728	0.4
113.96404	0.2
119.01928	3.0
120.02036	0.2
124.02464	0.3
125.07107	0.3
128.07135	0.2
129.99519	0.5
130.06313	1.4
132.95837	4.7
133.03426	0.2
137.02946	0.7
138.05493	0.4
138.06540	0.2
139.05035	0.3
141.16963	0.2
142.03503	1.6
150.96892	7.2
155.97430	0.6
156.04221	7.3
156.07677	11.2
156.10260	0.5
157.04556	0.2
157.08058	0.2
157.09697	0.2
160.04524	0.5
173.98476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.077
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01875	0.9
56.05035	0.5
66.68895	0.2
67.75043	0.2
68.05022	1.2
69.31412	0.9
70.06597	1.7
70.95872	1.9
72.93790	1.2
76.50125	0.2
81.04540	0.7
82.05323	2.2
82.06564	0.2
83.06107	9.2
88.96892	0.5
90.94814	0.3
93.04530	6.3
95.06096	6.8
96.04491	0.3
101.00880	0.3
102.07314	0.2
110.07166	100.0
111.00806	0.3
111.05557	0.7
111.06837	0.3
111.07506	1.4
111.98470	0.8
112.08736	0.4
113.96387	0.2
114.05537	0.3
119.01920	0.7
128.07114	0.2
129.90907	0.2
129.99541	0.4
132.95825	2.0
137.02950	0.3
138.05524	0.3
139.00237	0.3
142.03494	0.3
150.96895	4.6
156.04213	0.8
156.07683	11.6
156.10243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	100.0
55.05496	1.4
55.91991	0.8
57.03434	3.5
57.93580	1.3
68.99786	5.2
69.03417	1.6
69.07074	1.1
70.06593	17.5
70.95870	1.4
71.01348	1.6
72.89128	0.9
73.02923	6.4
78.45009	0.8
83.01352	8.0
83.04990	2.1
83.06111	2.2
84.08170	0.9
84.99256	4.3
85.47485	0.8
95.06104	1.2
96.06441	1.5
97.02929	1.0
97.06518	1.1
97.10127	1.1
98.06066	2.0
98.97581	3.4
101.02373	1.3
102.00989	1.3
104.97670	0.8
110.07168	2.7
111.00802	9.1
111.04456	2.0
111.05591	8.4
111.06841	1.7
111.07500	7.4
111.11774	1.1
112.07637	4.4
112.08745	6.6
114.09127	0.9
115.08732	2.1
116.07078	1.3
116.97251	1.5
116.98629	3.1
119.01919	1.9
120.02007	5.5
129.01854	1.7
132.95845	1.0
134.99651	1.4
138.03113	1.6
139.00214	2.1
143.03653	3.4
150.96950	1.2
151.97131	2.5
156.97487	1.2
157.01332	12.7
157.04950	1.1
157.06155	2.6
157.07700	2.7
157.09752	2.4
157.10912	0.9
158.09282	8.2
158.11823	1.8
158.15422	0.9
161.04704	1.5
174.98573	1.7
175.02531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81301	0.4
56.96572	3.2
58.84643	0.3
60.05650	0.9
60.71048	0.4
68.05032	1.0
69.73447	1.3
70.06591	54.4
71.04984	2.1
71.06922	1.3
84.91189	1.1
85.07675	1.0
95.06101	1.8
97.07652	0.9
98.06046	1.5
98.23437	0.4
98.97582	22.4
99.04475	1.9
112.08729	54.5
113.07112	2.7
115.08686	2.4
116.07088	16.6
116.98623	18.6
134.99661	9.6
141.06596	4.5
153.00693	1.4
153.01846	0.3
158.01294	0.7
158.09250	100.0
159.07640	1.4
159.09552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
54.98644	0.5
56.96564	26.0
57.03433	0.6
57.93557	0.4
59.93100	1.0
69.03399	0.5
71.04985	0.5
71.95252	1.5
72.04532	0.5
72.08148	1.2
73.95675	0.5
74.97607	0.5
76.63821	0.4
76.64902	0.4
78.37202	0.5
81.03423	5.3
81.04527	0.5
85.02886	0.5
87.04484	0.6
91.05486	0.6
95.08598	1.0
98.97578	100.0
99.97917	7.5
100.97221	0.8
100.97937	0.5
109.02853	1.5
113.05997	0.6
113.07922	1.1
115.05452	11.5
116.05001	0.7
116.98616	90.4
117.05748	8.7
117.95950	0.5
117.97604	0.6
117.98956	7.1
118.03527	0.5
118.06526	1.8
118.96768	4.0
118.98181	0.8
118.99007	0.5
119.01894	1.5
120.23914	0.4
124.48911	0.4
130.06525	18.3
131.04915	0.8
131.06877	2.0
131.11783	1.0
132.08083	72.6
133.08421	1.4
134.99648	56.5
135.95654	0.5
135.99997	4.6
137.00093	0.7
140.00201	1.8
140.04915	0.5
142.03491	1.9
142.06512	20.2
143.07251	0.9
153.00710	8.0
153.01849	0.8
153.96635	0.8
154.96449	1.9
158.01254	1.7
158.08348	0.9
158.85103	0.5
159.09164	73.0
159.15779	0.7
160.04456	1.3
160.07570	12.2
160.09589	1.9
168.87091	0.5
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
56.96560	2.0
64.40542	0.6
67.05515	2.7
70.06595	0.6
79.05501	1.2
81.07066	1.3
85.51894	0.5
87.00816	1.1
91.05484	11.9
93.07045	0.8
95.93362	0.6
98.23433	1.9
98.97580	7.4
99.97937	1.6
105.07034	15.4
115.05438	4.6
116.06236	1.9
116.98620	6.6
117.01871	1.1
117.07023	30.2
117.98960	0.9
118.07357	0.8
118.96763	1.6
119.08594	8.8
128.06203	1.3
129.07010	13.4
130.07796	16.7
131.08572	73.4
132.06570	0.6
132.08910	1.7
134.99690	3.6
135.65254	0.5
140.00087	0.8
142.07768	2.1
143.08554	1.5
144.09343	17.2
145.09685	0.9
153.00583	0.7
157.10187	3.8
159.02876	0.6
159.08957	3.7
159.11697	100.0
160.12029	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	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
67.86640	0.3
69.50596	1.5
80.14790	0.4
82.01443	0.5
82.99838	6.6
98.23390	0.7
99.97902	0.6
100.02475	6.1
100.97128	0.4
101.00878	53.6
102.00982	1.3
111.00452	0.6
118.02721	0.7
118.03521	9.5
119.01916	100.0
120.02032	1.5
124.02454	9.9
136.04550	3.1
137.02954	15.7
142.03497	69.9
143.03632	2.8
160.04552	61.9
161.03012	2.8
161.04616	2.4
178.05598	12.1
179.03987	2.9
179.05536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.3
53.17717	0.2
55.05510	1.7
56.05034	0.6
56.96569	1.3
57.03429	0.7
57.04550	0.9
59.04991	0.4
59.93099	0.2
60.08154	0.9
68.05011	0.6
69.03419	0.7
69.07068	1.8
70.06586	0.6
71.04974	0.2
71.95269	0.3
72.08147	0.6
73.02921	0.4
74.07173	0.3
75.03441	0.3
81.03413	0.5
82.03734	0.7
82.06580	0.3
82.99825	2.1
83.04993	0.3
84.04505	0.3
84.08146	0.6
85.02873	0.4
86.06064	1.7
87.04465	2.7
88.07599	0.3
96.08125	5.7
98.97583	1.1
99.97894	0.7
100.02473	2.9
100.07615	0.8
100.97192	0.7
101.00875	27.2
101.06010	1.4
102.00955	0.7
104.07097	1.2
110.03193	0.3
114.05527	0.7
114.09170	6.9
115.03919	0.3
116.98626	1.1
117.98962	0.8
118.02719	0.5
118.03517	7.8
118.96775	0.7
119.01914	100.0
120.01994	2.0
121.02333	0.4
124.02442	3.9
125.07113	0.4
128.58954	0.3
129.01836	0.7
132.06578	0.5
134.99648	0.6
135.99997	0.3
136.04558	4.3
137.02953	31.1
138.03040	0.6
142.03494	43.2
142.08600	2.0
143.03651	1.5
148.03841	0.2
160.04555	44.5
160.09679	11.6
160.10846	2.8
160.13312	2.6
161.02954	3.1
161.04695	1.5
162.55725	0.2
165.05086	0.5
178.05602	14.1
179.04008	3.9
179.05568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.097
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
55.05511	3.2
57.04544	0.6
58.06592	2.1
59.05004	0.5
60.08160	2.8
69.03422	0.4
69.07048	0.6
70.06591	7.3
71.43188	0.4
72.08134	0.7
74.06049	0.4
74.07191	0.4
82.06577	2.5
83.04967	0.8
84.08136	0.6
86.06062	1.3
87.04472	3.2
88.03987	1.1
88.07629	6.3
96.08131	18.3
100.07619	3.1
101.00872	1.3
101.06018	3.3
104.07086	1.1
114.09168	52.2
115.09488	0.5
119.01911	2.7
137.02962	0.7
142.03500	2.3
142.08633	5.7
144.06497	0.4
160.04582	1.9
160.09686	100.0
160.13295	5.3
161.10023	1.1
179.42047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1334
Annotation	DL-2-Aminooctanoic acid
Peak:m/z	Relative Intensity
55.05513	0.4
56.05027	0.9
57.03414	0.2
58.06603	3.9
69.07072	4.4
69.80054	0.2
70.05544	0.5
70.05875	0.3
70.06580	0.5
72.08148	1.6
73.06561	0.8
74.06062	0.3
82.99862	0.3
85.08927	3.9
86.09695	1.6
98.09677	2.6
98.22794	0.3
98.97572	0.5
100.02481	0.4
100.97175	0.5
100.98023	0.4
101.00883	3.3
101.05986	0.3
114.12806	100.0
115.13149	1.5
116.10733	14.8
118.03542	0.5
118.96753	0.5
119.01926	6.4
124.02483	0.7
137.02940	0.9
142.03494	3.7
142.12244	0.9
160.04576	3.7
160.09697	1.8
160.13330	25.9
161.03067	0.4
161.04625	0.3
161.13707	0.4
172.84818	0.3
178.05608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77920	0.2
54.83437	0.2
69.79638	0.3
69.79990	0.4
82.99838	3.1
83.99907	0.3
98.97605	0.7
100.02475	0.3
101.00876	38.3
101.97232	0.2
102.00947	3.1
102.96869	0.4
103.00642	0.4
107.05284	0.2
111.00453	0.2
115.79374	0.2
116.05793	0.4
116.98643	0.3
119.01915	100.0
120.01996	6.1
120.03308	0.3
120.97930	0.2
121.01658	0.6
121.02412	0.3
124.02426	0.2
124.97575	0.2
125.02535	0.7
127.47881	0.2
136.48370	0.3
137.02953	21.8
138.03024	0.8
142.03481	1.5
143.03635	5.9
144.03249	0.7
145.48897	0.4
146.48840	0.2
160.04549	0.4
161.02957	6.6
161.04669	5.3
162.04343	0.5
176.04059	0.3
179.04021	8.2
179.05681	1.1
180.05411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07343	0.2
55.05507	0.3
56.96556	0.5
57.07536	0.2
60.00643	0.2
70.06240	0.3
70.06590	4.6
70.37959	0.4
72.08138	0.9
82.99834	2.8
84.08137	0.8
85.06534	0.4
98.22775	0.2
98.23318	0.4
98.97572	2.2
100.97208	1.2
100.97986	0.8
101.00878	34.0
101.97177	0.6
102.00944	2.1
102.96862	1.6
103.00605	0.3
103.01237	0.3
108.15696	0.3
111.00408	0.2
112.08720	0.4
116.98624	1.3
119.01918	100.0
120.02007	4.7
120.97861	0.7
121.01606	0.4
121.02335	0.6
125.02530	0.4
129.01868	0.3
133.03429	0.3
134.99696	0.2
137.02956	25.3
137.93207	0.3
138.03050	0.9
138.98917	0.4
142.03491	1.0
143.01906	0.4
143.03600	4.5
144.03250	0.6
144.11331	0.4
157.77528	0.2
161.02960	6.7
161.04655	3.7
162.04303	0.4
179.02408	0.5
179.04015	8.1
179.05667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03955	1.5
55.01873	5.0
55.05508	0.7
56.96565	0.5
71.43535	0.6
77.03918	1.4
79.05040	1.3
79.05492	15.4
81.07059	0.9
90.04703	3.2
91.05479	3.3
92.02605	1.0
93.07028	0.7
95.04962	4.5
101.00829	0.9
102.96867	1.2
103.05473	21.2
105.04507	1.7
105.07030	100.0
106.07375	1.5
115.05455	25.2
118.04154	15.0
119.01914	4.8
119.08566	2.7
120.07998	0.6
120.97909	1.6
131.04926	4.1
132.05643	1.1
133.06487	55.5
133.10124	1.6
134.06837	1.4
137.02971	1.5
138.98970	1.1
143.06042	7.6
144.08034	1.2
146.03569	0.6
161.05972	14.0
161.07149	2.2
161.09573	1.1
161.10811	1.2
161.13255	2.0
180.04457	0.8
181.60817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.04416	0.4
53.03944	0.8
54.92580	0.6
55.01872	4.5
64.74083	0.4
69.07070	0.5
69.10387	2.4
76.72377	0.5
77.03927	2.0
79.05495	16.4
81.07070	1.3
89.03911	1.2
90.04705	3.9
91.05486	4.4
92.02630	0.8
95.04974	4.1
98.23495	0.9
99.82448	0.5
103.05470	21.5
105.04513	2.0
105.07027	100.0
106.07377	1.6
107.04980	1.0
115.05457	28.3
118.04157	18.0
119.01969	0.6
119.04446	0.6
119.08588	4.0
130.89995	0.5
131.04922	4.0
132.05728	0.6
133.06490	56.4
133.10130	2.4
134.06818	1.0
143.05014	1.2
143.06041	6.7
146.03566	0.7
146.70900	0.5
161.05971	16.4
161.09579	1.4
161.10811	0.9
161.13252	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
67.05502	0.9
69.03421	1.5
69.45237	0.5
70.48860	0.9
77.03903	0.5
79.05483	1.7
81.07047	2.0
91.05491	7.1
93.07032	2.1
103.05463	0.9
105.07027	35.4
106.07349	0.7
107.08604	0.8
115.05454	2.5
115.15983	0.6
117.07036	1.5
118.04189	0.6
119.08578	13.0
120.97856	0.6
121.06499	4.5
128.06229	11.6
131.04890	1.6
131.08545	1.8
132.05717	1.3
133.06467	2.8
133.09177	1.0
133.10126	14.4
140.57837	0.5
141.06975	0.8
143.08557	15.1
145.06479	3.1
146.07262	10.3
155.06053	1.0
159.08035	2.5
161.06038	4.2
161.09613	100.0
161.13252	10.0
162.09976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05504	4.0
67.05501	1.8
69.07063	4.4
70.02451	1.6
70.02788	0.8
79.05491	4.8
81.07061	6.3
91.05484	7.0
93.07047	2.9
95.04980	1.5
97.49416	0.7
102.96922	1.6
103.05467	1.9
105.07030	100.0
106.07373	1.5
107.08617	1.7
115.05456	1.2
117.07024	2.7
118.04137	0.9
118.35371	0.8
119.08579	56.7
120.97910	1.4
125.53470	0.9
128.06229	1.2
131.08585	3.1
133.06514	2.0
133.10127	16.7
138.03395	1.1
139.01807	1.0
143.08568	1.5
145.10071	0.8
146.07257	1.7
159.11697	2.2
161.05981	3.8
161.09628	11.4
161.13257	67.4
162.03403	0.7
162.13602	1.2
180.04555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.06036	0.3
55.01878	0.5
55.05512	5.6
59.94839	0.3
69.03387	0.3
69.07071	2.3
69.88654	0.3
70.48817	0.6
79.05480	2.6
81.07042	1.4
87.70717	0.3
90.04726	0.4
91.05476	7.4
93.07038	1.8
95.04961	0.6
96.71959	0.3
102.96847	0.5
103.05439	1.9
104.06255	0.6
105.04557	0.7
105.07030	24.0
106.07346	0.5
107.08601	1.1
115.05437	2.8
117.06980	2.5
118.04172	1.2
118.07769	0.4
119.08578	100.0
120.08112	0.6
120.08842	1.7
120.97867	0.3
121.10134	1.9
131.04884	0.4
131.08562	1.7
133.06503	5.0
133.10124	15.2
140.13690	0.3
143.06110	0.6
146.10876	0.8
159.11708	0.7
161.05991	4.3
161.07172	0.7
161.09610	1.9
161.10756	3.8
161.13257	22.9
162.05507	0.4
165.60609	0.4
169.90379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
57.03436	1.1
58.06607	0.6
60.05652	0.4
60.08164	13.1
69.03419	1.1
69.73254	0.8
70.06592	100.0
71.04989	1.9
71.06924	1.1
71.21406	0.3
73.02905	0.3
79.05483	0.3
81.07068	1.0
83.08614	0.9
84.04501	1.2
84.08149	0.5
85.02904	7.6
85.06541	9.4
87.04475	1.0
88.07639	0.3
92.02702	0.3
97.02888	0.5
98.06036	0.6
98.09702	0.5
99.08111	0.3
100.07626	0.5
102.05482	0.3
102.09180	5.7
103.03941	15.6
112.08726	11.9
116.07105	0.3
126.09157	1.4
130.09763	5.2
144.06534	0.5
144.10229	0.7
144.11292	4.0
159.90991	0.3
162.07626	0.9
162.11255	35.5
163.11674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54222	0.3
55.05515	2.7
56.05053	0.3
57.03440	0.7
58.06610	0.7
60.05658	0.6
60.08167	12.0
69.03432	0.9
69.74165	1.0
70.06595	100.0
71.04993	1.7
71.06925	1.1
81.07054	0.5
82.50822	0.2
82.67252	0.2
83.08619	1.1
84.04506	0.9
85.02912	8.4
85.06547	7.7
87.04474	0.2
88.07635	0.5
90.05547	0.3
97.02905	0.6
98.06064	0.9
98.09671	0.3
99.08105	0.5
100.07649	0.4
102.09181	5.2
103.03948	15.5
112.08733	12.1
126.09139	1.5
127.03979	0.4
130.09766	4.4
138.14757	0.3
144.06538	0.7
144.10226	0.5
144.11298	4.0
162.11263	34.4
163.03831	0.3
163.11607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02375	0.3
53.03939	0.5
55.01870	0.6
65.03935	3.7
67.05496	2.8
68.99789	26.9
70.00072	0.3
70.42506	0.5
73.68385	0.3
77.03930	1.6
79.05048	0.5
79.05491	7.7
89.03889	0.3
93.03398	1.9
95.04962	3.4
96.05459	0.3
96.92273	0.2
103.05443	0.4
105.04514	1.2
106.06574	0.3
107.04955	9.3
107.05679	0.6
117.05748	0.5
121.02852	2.7
130.06502	0.5
131.04941	0.4
132.08102	0.8
135.04417	2.8
142.48608	0.3
149.35768	0.3
163.03894	100.0
163.12285	0.8
164.04286	2.0
181.02856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	2-Hydroxyadipate
Peak:m/z	Relative Intensity
52.87223	1.3
53.03941	4.9
53.08015	1.1
55.01870	22.2
55.05500	2.8
56.05025	2.2
57.03436	23.3
57.07067	5.4
60.08156	2.3
61.02928	12.7
61.08490	1.4
63.52583	1.2
68.99798	2.5
69.03428	74.8
69.30058	4.7
70.06589	7.9
71.01357	1.6
71.04997	4.9
71.06918	7.1
71.07242	1.0
73.02923	11.5
77.03936	1.5
79.05475	5.9
81.03415	8.4
83.01341	2.6
84.08142	2.0
85.02904	100.0
87.04471	2.6
89.06020	3.9
95.04957	7.3
97.02889	19.8
98.23454	2.9
99.04455	10.5
101.02368	15.1
101.09650	1.4
102.05552	3.1
102.09174	1.2
103.03934	4.7
103.09488	1.4
104.04268	3.0
105.03404	6.8
105.04498	2.9
106.06537	7.2
107.04942	3.3
107.07069	1.5
109.02853	6.3
115.03943	3.4
117.05717	5.6
117.07004	2.6
120.08118	3.0
127.03925	23.1
130.06534	15.3
131.04889	2.1
132.08104	17.3
133.02843	11.5
135.04407	13.5
145.06499	3.3
163.03906	71.0
163.07564	4.4
163.11465	5.9
163.12328	11.0
164.04292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.56940	1.0
53.03937	4.3
53.40358	1.0
55.01871	20.8
55.05516	1.5
57.03147	1.3
57.03434	24.2
57.07063	3.8
60.08163	1.8
61.02925	14.3
68.99789	1.4
69.03426	71.0
70.06580	2.6
71.01348	1.9
71.04982	1.8
71.06915	2.6
73.02912	11.8
74.06087	1.2
77.03910	2.4
79.05490	5.1
81.03423	7.7
83.01351	1.7
84.08076	1.8
85.02903	100.0
86.03251	1.3
87.04453	2.1
89.06045	2.9
91.03979	1.7
92.02622	1.5
95.04962	6.9
97.02886	19.2
99.04446	11.3
101.02382	14.4
102.05556	2.1
103.03932	2.2
104.04279	1.8
105.03390	3.8
105.04489	2.4
106.06559	4.4
107.04948	1.8
109.02877	2.8
115.03923	3.1
117.05677	3.7
117.07080	1.3
120.08103	2.3
127.03915	21.4
130.06525	10.2
132.08104	12.2
133.02867	10.1
135.04399	13.3
163.03893	51.0
163.07564	3.5
163.12489	9.9
164.04286	1.9
175.28497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	(+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol
Peak:m/z	Relative Intensity
53.03943	0.4
55.01864	3.4
65.03933	0.8
67.05502	1.6
68.99786	3.0
70.51795	0.9
77.03905	0.6
79.05492	7.3
81.03410	1.2
82.15513	0.5
91.05486	7.7
93.07051	2.4
95.04986	3.2
95.08615	2.8
97.02924	1.0
103.05443	0.6
105.04538	0.7
105.07048	1.1
107.04954	19.1
107.08597	4.1
115.05453	10.8
115.06216	0.6
117.07016	54.9
121.00772	0.4
121.06490	3.0
123.04459	2.2
130.06596	0.5
132.08026	0.7
133.02841	0.7
135.04427	1.4
135.08049	21.6
145.06483	70.0
146.06844	1.3
148.05208	1.4
152.39922	0.4
155.06035	3.1
163.03917	6.8
163.07538	100.0
163.12271	1.4
164.07887	1.4
168.16287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	(+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol
Peak:m/z	Relative Intensity
51.02370	0.5
55.01876	3.4
57.03468	0.6
67.05501	2.2
68.99798	2.6
69.39780	2.2
77.03932	0.6
79.05500	7.6
81.03437	1.1
89.06033	0.5
91.05482	8.6
93.07035	3.8
95.04974	2.9
95.08079	0.5
95.08599	2.3
95.09138	0.5
97.02864	0.4
98.23388	0.7
100.53999	0.5
102.96866	0.8
103.05486	1.1
105.03406	0.9
105.06994	0.8
106.06575	0.6
107.04957	19.8
107.08600	4.1
110.76864	0.6
115.05457	11.7
117.07019	56.6
118.07375	0.9
121.05692	0.7
121.06494	3.5
123.04465	2.6
125.42679	0.5
129.92497	0.5
130.06538	1.1
131.04951	0.4
132.08112	1.3
133.02861	0.9
133.06483	0.7
135.04401	1.3
135.08052	23.7
145.06487	72.8
146.06813	0.9
148.05226	0.8
155.06061	3.5
163.03931	5.1
163.07542	100.0
163.12277	1.9
164.07890	2.2
166.27748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82635	3.6
53.03919	3.5
55.05507	6.3
57.03441	27.0
57.03688	3.6
57.07079	9.2
59.05005	6.0
67.19402	4.5
71.04991	15.7
71.08630	24.9
79.05486	32.7
81.07063	100.0
85.02921	7.3
85.06559	7.4
89.06033	7.4
91.05516	7.9
93.07063	4.0
95.05000	5.2
97.64495	4.1
99.08097	44.4
102.96866	4.3
103.05453	17.7
105.03391	8.8
105.04472	4.2
105.07043	7.1
106.06572	14.5
107.05007	6.7
107.08614	7.5
109.06522	76.9
117.05785	11.3
117.07015	16.9
117.09129	48.6
119.97926	3.5
121.06530	6.4
121.10154	4.1
127.07549	35.9
130.05708	5.2
130.06535	24.4
131.04924	22.5
132.08086	33.9
133.02832	7.9
135.04431	14.8
135.08078	11.9
139.73375	3.5
145.06451	5.9
163.01869	5.5
163.03896	57.6
163.07571	13.6
163.11153	7.9
163.12344	32.5
181.02837	7.0
183.67799	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03941	5.4
55.01876	6.7
55.05295	1.2
55.05511	13.5
57.03423	2.0
57.07063	2.1
57.23932	1.0
65.03929	1.2
67.05510	5.9
69.03424	10.1
69.07054	5.0
71.04986	7.5
77.03914	2.4
78.34908	1.0
79.05492	31.5
80.05814	1.3
81.03419	6.6
81.07055	97.5
83.04988	7.1
84.08136	1.8
85.02889	1.2
91.05479	24.0
93.07044	58.1
95.04961	9.7
95.08596	6.7
97.06522	1.8
100.07774	1.0
103.05431	2.7
105.03336	1.7
105.04492	2.0
105.07031	69.1
106.06543	4.1
107.04931	5.0
107.08590	61.6
109.06525	5.3
115.05446	2.4
117.05721	3.5
117.07016	15.3
119.08573	13.7
120.08098	1.6
121.06511	17.3
121.10143	16.4
122.09657	1.6
124.49686	1.1
129.07013	2.0
130.06569	9.8
130.07756	12.7
131.04852	1.4
132.08072	9.1
133.02826	2.3
133.10138	1.6
135.08049	10.6
135.11685	19.3
143.08549	3.9
145.10121	63.6
148.67476	1.1
163.03909	4.4
163.07532	3.1
163.11169	100.0
163.12305	8.4
163.14792	3.1
164.11517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	(+)-Isoclavukerin A
Peak:m/z	Relative Intensity
53.03947	0.9
55.05513	9.5
57.07072	4.8
62.95039	0.6
67.05499	1.1
69.03444	1.0
69.07067	26.3
70.01566	0.7
70.01890	2.0
77.03922	1.3
79.05500	9.2
80.05003	0.7
81.07057	3.0
83.08622	14.7
84.08140	1.4
89.05996	0.9
91.05476	10.7
93.07041	21.4
93.29705	0.7
95.04961	3.1
95.08592	5.1
103.05450	5.3
105.03397	1.8
105.07026	16.6
105.42500	0.8
106.06564	2.7
107.04943	0.8
107.08590	70.7
108.09417	1.6
109.06507	1.7
109.10123	3.4
117.05752	2.8
117.06983	1.8
119.06104	1.2
119.08581	6.9
120.08086	1.9
121.10138	100.0
122.10474	1.1
123.08036	1.2
130.06516	8.5
131.04910	4.6
132.08075	9.4
133.02855	0.8
133.07588	2.1
135.04407	2.1
135.11685	22.0
135.49724	0.7
136.72705	0.7
145.10092	2.4
148.12495	1.0
163.03879	5.6
163.07568	2.5
163.11096	4.8
163.12309	11.1
163.14806	32.2
167.74104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02387	0.8
53.03930	1.4
55.01874	0.8
55.05508	7.6
57.07082	8.7
62.58560	0.9
65.03959	1.2
67.05498	3.3
68.99786	4.9
69.03442	1.7
69.07067	60.1
71.08645	0.8
77.03913	2.2
78.95244	1.0
79.05493	21.1
80.04996	1.5
81.07065	6.7
83.08622	10.9
84.08142	2.2
85.02896	2.4
89.03917	1.0
89.06013	2.6
91.05479	16.9
93.07043	34.0
95.04964	5.3
95.08606	13.8
96.22263	0.8
103.05443	5.9
105.03400	4.2
105.04498	2.8
105.07034	15.1
106.06556	6.5
107.04951	12.3
107.08592	100.0
109.06519	4.4
109.10130	1.6
115.05448	1.9
117.05797	4.7
117.07011	5.3
119.06046	3.0
119.08591	5.6
120.08093	2.2
120.97845	0.9
121.06483	2.0
121.10142	59.7
130.06537	13.8
131.04916	5.3
132.08086	17.2
133.02849	3.4
133.10126	1.8
133.96806	0.7
135.04399	6.7
135.08046	11.2
135.11688	24.6
136.07584	1.4
139.01787	0.9
145.06509	2.7
145.10109	1.8
148.05121	1.1
163.01842	1.0
163.03897	27.5
163.07538	29.0
163.08887	1.6
163.11136	2.6
163.12364	17.4
163.14810	50.3
164.06960	1.5
181.02869	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56442	0.4
53.10547	0.5
55.29460	0.4
69.43043	1.1
69.43431	1.0
80.00842	0.5
80.90917	0.4
82.01478	0.6
82.99843	8.1
100.02490	0.8
101.00881	61.8
102.00987	1.5
112.03141	0.5
119.01922	100.0
120.01999	2.6
124.02455	14.3
137.02954	14.7
142.03502	97.1
143.03603	2.5
160.04570	17.0
165.05080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43448	0.5
65.78727	0.5
70.65223	0.8
82.01426	0.8
82.99833	7.3
100.02471	0.7
101.00877	61.4
102.00957	1.4
119.01917	100.0
120.01999	2.5
124.02448	12.7
131.86551	0.5
137.02954	14.3
142.03496	89.7
143.03670	1.9
160.04552	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	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
59.08995	0.5
65.03922	2.3
67.05491	1.1
68.99775	0.9
71.45000	0.5
77.03934	0.4
79.05505	0.9
81.07044	1.1
82.99831	1.3
91.05475	27.5
93.03394	1.2
93.07035	0.6
95.04970	1.2
95.08603	1.0
101.00234	0.9
101.00872	13.9
102.00964	0.4
103.48722	0.4
105.07011	1.1
107.04922	0.6
109.06503	1.4
119.01917	46.0
119.04932	100.0
119.08574	3.0
120.01992	1.3
120.05273	2.0
120.08070	1.0
123.04416	4.6
123.08055	0.7
124.02452	3.2
126.96084	0.4
134.67194	0.5
137.02956	11.9
137.05977	7.7
137.09584	1.2
142.03490	37.8
143.03603	1.0
147.04398	79.0
148.04715	1.7
160.04543	8.6
165.05472	25.3
165.09111	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
53.03953	0.9
65.03931	0.9
67.05500	1.5
69.59482	3.0
71.05002	2.0
77.03923	2.2
79.05490	36.0
81.07045	3.2
82.99838	3.6
91.05478	10.4
93.03377	0.9
93.07044	8.0
95.04971	7.0
101.00877	30.9
102.00983	1.2
103.05461	1.2
105.04506	2.8
105.07027	1.5
107.04961	8.6
109.06489	5.6
112.11362	0.7
119.01919	77.0
119.04932	12.2
119.08564	1.8
120.01974	0.9
120.08096	1.9
121.06505	5.6
123.04431	3.1
124.02444	6.8
135.03401	0.6
135.04414	16.8
135.05377	0.7
137.02960	17.9
137.05975	4.2
142.03500	65.7
143.03615	1.6
147.04385	9.1
147.08060	1.2
160.04561	15.9
165.05476	100.0
165.09132	2.5
166.05779	1.8
171.30302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.23650	0.2
54.94456	0.2
59.76366	0.1
68.90421	0.1
69.10113	0.8
69.10513	0.4
71.89857	0.2
77.03937	0.1
79.05480	1.1
91.05476	0.7
93.07040	2.2
95.04975	0.2
98.23361	0.3
101.00874	0.3
102.00919	0.2
103.05464	9.6
104.05811	0.2
105.25043	0.2
107.04951	2.1
119.01908	0.3
120.02016	0.7
120.08100	100.0
121.01703	0.2
121.08446	2.2
131.04932	2.7
140.23018	0.2
143.03676	0.6
144.03233	0.2
148.77423	0.1
149.05922	0.3
153.75308	0.2
153.86020	0.1
166.08597	2.0
186.57715	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
59.77806	0.2
65.03956	0.4
69.70444	0.3
70.70905	0.5
73.02920	1.8
77.03915	2.0
78.04700	0.6
79.05485	0.3
81.03442	0.3
87.86208	0.3
88.81179	0.3
93.07047	0.8
95.04974	5.5
102.00980	0.5
103.00654	0.4
105.03393	100.0
106.03667	1.3
107.08625	0.3
111.04446	0.7
119.01954	0.7
119.04940	0.5
120.02010	2.6
120.05316	0.4
120.08102	2.0
121.02869	20.6
121.03892	0.8
121.06505	1.1
123.04436	1.4
123.94855	0.3
125.02530	0.4
135.08051	0.5
136.97188	0.3
138.03090	0.7
143.03606	2.0
148.04779	0.5
148.07584	2.5
149.05975	13.0
150.06349	0.4
151.03871	0.3
161.04597	0.4
166.08603	2.8
167.03510	0.3
167.07048	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	167.0334
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.03939	1.7
55.01871	1.8
55.05503	7.1
65.03941	20.0
67.05495	1.6
68.02644	3.4
68.99783	1.5
69.03406	1.1
69.07058	2.7
69.42994	3.8
78.04689	2.4
79.01817	0.9
79.05485	5.1
81.03420	10.7
81.07041	3.9
83.04976	4.4
84.96033	7.0
91.05478	3.2
93.03413	5.4
93.07046	6.9
95.08612	1.2
96.02095	2.2
97.06532	2.7
98.23469	1.7
98.98483	0.9
102.97072	1.4
103.00629	5.8
105.07020	3.0
107.01295	1.0
107.04948	1.3
107.08593	11.8
109.06503	2.6
111.04456	10.4
111.08070	1.4
121.00815	1.0
121.01663	20.0
121.03922	0.8
121.06484	1.3
121.10147	16.9
123.04418	3.0
123.08053	1.0
123.11691	3.0
124.01572	9.4
124.05203	1.2
125.02354	2.1
125.06031	1.0
125.09576	0.9
126.02176	0.9
134.03633	1.0
139.02692	5.8
139.03873	2.6
139.07513	3.2
142.02588	2.0
144.03229	16.9
144.04251	1.5
149.05997	1.8
149.09650	4.0
149.13161	1.1
151.03889	0.9
152.01041	22.2
152.04678	1.0
157.04964	36.0
162.04344	6.1
167.03378	100.0
167.04588	11.5
167.07001	16.7
167.10652	1.9
167.14290	0.7
168.03775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
52.36747	0.4
53.03932	1.3
55.01879	1.9
55.05500	0.4
65.03925	0.6
67.05498	0.9
69.03425	0.6
73.02906	2.0
77.03916	1.9
78.04729	2.0
79.05042	0.8
79.05490	11.5
79.05942	0.7
81.07053	2.1
81.66319	0.3
91.05476	9.6
91.06047	0.5
93.07039	13.3
94.07363	0.4
95.04961	4.2
97.06528	0.8
98.28954	0.4
103.00611	0.6
103.05463	1.9
105.03400	0.6
105.04494	1.7
105.07010	0.4
106.04182	1.2
107.04943	1.4
107.08566	0.5
109.06479	0.7
111.04427	0.7
119.04939	0.5
121.01729	0.9
121.02861	18.8
121.06502	10.4
121.10117	0.6
123.04424	4.0
123.08054	1.3
124.05222	0.5
139.07532	0.7
144.03229	0.9
149.05965	10.6
151.03868	0.8
165.52002	0.4
167.07030	100.0
168.07370	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	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.45572	0.3
53.03938	0.3
55.05494	0.3
66.04727	0.8
67.05510	1.0
69.07065	0.3
70.03662	0.8
77.03924	0.8
78.04253	0.8
78.04710	14.3
79.05495	2.6
81.03394	0.4
81.07050	0.8
84.96017	1.1
87.47462	0.3
91.05453	0.7
93.03409	0.7
93.07032	1.1
93.54202	0.3
94.04216	0.7
95.04971	2.1
96.05729	1.0
97.06500	0.3
98.98544	0.3
103.00623	1.2
105.03390	1.2
105.04514	0.5
106.04178	7.5
107.04962	1.1
107.08599	1.3
109.02853	0.6
109.06510	1.2
111.04482	0.3
114.21033	0.3
120.02027	0.4
120.61501	0.3
121.01669	4.6
121.06502	0.8
121.10121	0.6
122.03639	2.6
123.04433	28.6
124.05232	7.2
134.03603	2.4
135.04442	1.0
137.05933	0.8
139.02708	1.1
139.07549	0.8
144.03223	4.0
149.02321	0.4
149.09612	0.4
150.03123	0.4
151.03905	5.2
152.04697	6.2
162.04271	0.7
167.07036	100.0
168.04233	0.4
168.07358	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03935	1.7
55.01876	1.6
55.05506	2.5
55.69042	0.7
57.03434	2.4
65.03933	1.8
67.05498	3.1
69.03423	1.5
69.07059	1.5
75.04475	6.5
77.03965	0.9
78.04697	1.2
79.05492	13.3
81.03432	0.7
81.07058	9.6
83.04985	1.7
84.96030	6.5
84.99549	0.7
87.04457	1.0
91.05474	11.3
93.07043	100.0
93.65296	0.7
94.07344	0.8
95.04964	5.4
95.08600	5.0
97.06530	1.8
103.00629	4.5
105.04503	2.0
105.07034	8.8
107.04958	3.2
107.08595	10.8
109.02853	0.8
109.06512	3.1
109.10138	1.2
111.04446	0.7
111.08081	19.4
119.08629	0.8
120.02012	0.8
121.01659	18.4
121.06503	2.0
121.10143	69.0
122.10462	1.1
123.04424	2.3
123.08070	2.5
123.11700	1.6
124.05215	2.1
125.06004	2.3
125.09657	1.4
126.02200	1.3
128.46918	0.6
131.08588	2.8
133.07611	1.0
139.02711	5.3
139.07529	5.6
139.11172	5.7
144.03230	18.0
144.65605	0.7
149.02327	1.4
149.09612	9.4
150.51740	0.7
157.04945	2.1
162.04300	4.6
167.03400	5.7
167.04668	1.5
167.07028	9.7
167.08321	0.9
167.10663	9.3
167.11995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03934	0.7
55.01880	0.7
55.05506	1.8
57.03432	1.3
57.07068	1.4
59.04998	5.2
67.05505	4.7
69.03410	0.8
69.07051	1.7
69.83659	1.4
71.04980	1.1
73.02905	2.6
78.04686	1.1
79.05486	16.8
81.07051	33.8
82.07371	0.6
82.97063	0.6
84.96015	2.7
91.05463	4.1
93.07042	23.8
95.04962	1.9
95.08600	17.0
97.06532	4.7
103.00623	2.7
105.07021	12.3
106.04160	1.0
106.07803	0.7
107.04941	2.4
107.08585	12.6
109.06513	2.2
111.04408	1.1
111.08075	1.9
119.08591	2.5
121.01648	7.9
121.02405	0.9
121.06506	1.7
121.10137	100.0
122.10478	1.9
122.84255	0.6
123.04435	1.6
123.08047	3.3
123.11695	17.7
124.05161	0.8
125.05981	7.3
125.09623	2.0
131.08569	1.0
133.07619	1.7
139.02669	1.4
139.11172	13.9
144.03189	6.4
149.09604	10.7
149.13300	0.8
162.04282	1.2
167.03421	1.3
167.07033	8.4
167.10674	13.0
167.11993	1.3
167.14301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03934	1.1
55.01874	2.0
55.05510	10.1
57.07075	2.0
59.05024	1.9
65.03932	2.0
67.05500	6.2
69.03429	3.0
69.07070	38.2
69.98029	2.8
71.05002	1.0
73.09093	0.9
77.03928	1.3
78.04706	2.1
79.05495	18.1
79.82332	0.9
81.07062	13.9
83.04995	4.4
83.08604	1.6
83.48618	0.7
84.96033	6.9
91.05481	13.6
93.07047	79.3
94.07372	1.7
95.04965	5.5
95.08602	13.1
97.06533	6.7
97.10137	0.9
101.34267	0.8
102.97068	1.2
103.00641	7.2
103.05441	2.0
105.04491	1.9
105.07037	18.9
105.07738	1.6
106.04190	1.3
106.07805	1.3
107.04941	3.2
107.08599	10.4
107.35685	0.8
109.06506	2.6
109.10143	2.0
111.04468	1.1
111.08044	1.9
111.11711	7.8
119.08585	4.2
121.01675	24.6
121.06513	5.8
121.10147	100.0
122.10503	1.3
123.04450	4.8
123.08073	7.2
123.11674	1.2
124.05200	1.2
125.09621	1.3
126.02202	1.5
131.08531	1.5
133.07605	3.5
134.03687	1.0
134.64435	0.9
139.02715	5.9
139.11166	3.8
143.55676	0.9
144.03210	19.9
149.02336	1.1
149.05981	1.5
149.09616	14.2
150.31113	1.1
152.01019	1.1
152.04631	1.3
157.04985	2.0
162.04314	4.9
167.03450	5.5
167.05870	0.7
167.07040	23.0
167.10681	42.7
167.12811	1.7
167.15468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01876	1.6
55.05506	2.5
55.69042	0.7
57.03434	2.4
65.03933	1.8
67.05498	3.1
69.03423	1.5
69.07059	1.5
75.04475	6.5
77.03965	0.9
78.04697	1.2
79.05492	13.3
81.03432	0.7
81.07058	9.6
83.04985	1.7
84.96030	6.5
84.99549	0.7
87.04457	1.0
91.05474	11.3
93.07043	100.0
93.65296	0.7
94.07344	0.8
95.04964	5.4
95.08600	5.0
97.06530	1.8
103.00629	4.5
105.04503	2.0
105.07034	8.8
107.04958	3.2
107.08595	10.8
109.02853	0.8
109.06512	3.1
109.10138	1.2
111.04446	0.7
111.08081	19.4
119.08629	0.8
120.02012	0.8
121.01659	18.4
121.06503	2.0
121.10143	69.0
122.10462	1.1
123.04424	2.3
123.08070	2.5
123.11700	1.6
124.05215	2.1
125.06004	2.3
125.09657	1.4
126.02200	1.3
128.46918	0.6
131.08588	2.8
133.07611	1.0
139.02711	5.3
139.07529	5.6
139.11172	5.7
144.03230	18.0
144.65605	0.7
149.02327	1.4
149.09612	9.4
150.51740	0.7
157.04945	2.1
162.04300	4.6
167.03400	5.7
167.04668	1.5
167.07028	9.7
167.08321	0.9
167.10663	9.3
167.11995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03941	3.2
54.95501	0.9
55.01863	3.9
55.05513	100.0
57.03434	3.4
57.07064	3.9
59.05000	13.5
62.34482	1.2
65.03945	1.7
67.05505	20.6
69.03068	1.5
69.03432	25.8
69.06767	1.2
69.07074	14.4
69.66663	1.5
69.67065	2.6
71.04990	4.5
78.04712	1.2
79.05494	11.0
81.07061	19.6
83.04983	96.2
83.08621	51.4
84.05318	1.1
84.96040	5.1
85.06551	12.0
91.05476	7.0
93.06521	1.6
93.07050	17.6
95.04930	2.2
95.08611	10.0
97.06529	5.4
97.10172	15.4
98.22748	2.1
99.08064	3.5
103.00614	5.9
105.07046	7.6
107.04932	3.2
107.08599	41.8
108.08927	1.9
109.06504	3.7
109.10152	25.7
111.04489	1.4
111.08084	33.9
112.08884	9.5
113.09654	5.1
120.02062	1.1
121.01678	18.1
121.06511	3.4
121.10147	30.1
123.04395	2.9
123.08048	2.4
123.11711	11.1
125.06036	1.4
125.09632	20.5
139.02705	4.0
139.03897	5.0
139.07529	1.2
139.11189	1.9
144.03197	15.6
149.09618	4.6
149.13231	8.2
162.04301	4.1
167.03461	2.3
167.07028	17.5
167.08315	1.6
167.10635	3.6
167.14320	62.6
168.14647	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
55.01878	2.4
55.05516	16.9
57.03437	42.9
57.07079	6.0
59.04998	2.4
65.03953	4.4
66.40861	2.4
66.92721	2.1
67.05507	32.9
69.07065	23.0
69.85358	5.1
71.04994	35.6
73.06544	12.3
78.04700	3.1
79.05489	29.9
81.03402	2.8
81.07058	42.2
83.04973	4.6
83.08617	7.3
84.96035	28.0
85.06546	4.2
91.05473	17.0
93.07047	59.6
95.04984	15.1
95.08606	100.0
97.06544	5.0
98.22775	2.9
98.98441	2.7
102.36140	2.1
103.00631	20.0
105.07035	11.6
107.08593	67.1
109.06553	4.1
109.10162	23.3
111.08089	9.5
121.01667	82.3
121.02521	4.3
121.06488	2.2
121.10136	38.1
123.04433	5.3
123.08068	26.6
123.11705	7.6
125.09642	17.0
126.02180	5.1
131.08600	2.9
139.02690	20.6
144.03221	66.2
144.04221	3.9
144.47977	2.0
149.09644	7.2
149.13260	31.7
162.04286	16.9
167.04895	3.9
167.07018	25.1
167.10655	14.0
167.14302	11.9
180.06796	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	167.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05518	19.0
56.65505	1.8
57.03437	35.1
57.07077	3.3
59.05005	3.9
65.03937	3.0
67.05507	33.9
69.03447	2.4
69.07077	19.3
71.04996	38.9
73.06555	13.3
73.70788	2.1
77.03925	2.1
78.04717	3.1
79.05502	25.2
81.07059	47.8
83.04984	3.6
83.08609	8.0
84.96035	20.6
91.05479	14.3
91.59943	1.8
93.07050	60.3
95.04976	13.3
95.08611	100.0
97.06520	8.1
102.97068	2.7
103.00642	15.4
105.07023	5.5
107.04876	2.3
107.08596	64.7
109.06504	5.3
109.10157	27.1
110.54990	1.7
111.08075	10.1
119.08631	1.9
121.01677	55.1
121.02507	3.6
121.08427	1.7
121.10154	37.2
121.64894	1.7
123.04419	2.8
123.08078	23.0
123.11703	7.8
125.09650	16.7
131.08562	2.7
133.07559	1.8
139.02672	18.2
143.03592	2.1
144.03230	46.6
149.09612	5.4
149.13251	38.0
162.04260	12.2
167.03362	2.8
167.04787	2.8
167.07031	16.8
167.10652	14.9
167.14336	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	169.0496
Annotation	Vanillate
Peak:m/z	Relative Intensity
53.03928	1.7
55.01855	3.3
57.03427	1.6
65.03926	5.7
67.01871	1.1
67.05165	1.9
67.05504	30.2
68.99791	3.9
69.03428	3.4
69.33067	1.0
70.04208	3.1
70.72588	2.0
71.01321	1.4
77.03920	3.6
80.02644	1.3
81.03399	1.3
83.01327	5.1
85.02892	3.2
90.10582	1.0
95.04967	33.8
97.02857	1.9
98.03667	8.1
98.23144	1.2
104.07137	1.1
105.03381	2.6
105.04502	2.4
106.78445	1.0
108.78844	1.2
109.82449	1.2
123.04427	63.6
126.03132	52.8
140.04663	1.5
141.05464	100.0
142.05827	1.8
143.87698	1.1
151.05009	2.3
154.02617	22.6
169.04958	67.6
169.17017	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	Methyl 3,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
50.92853	0.3
52.87756	0.2
53.00319	0.3
53.03943	0.6
55.05511	0.5
56.96566	0.6
57.39204	0.3
59.05002	0.4
65.03947	2.3
66.19308	0.3
67.05494	0.8
67.93575	0.7
69.03414	0.3
69.75865	1.0
70.06586	0.8
71.05000	0.6
79.05513	1.4
81.03415	8.9
81.07061	2.3
85.02914	0.3
85.94604	2.0
91.05457	0.3
93.03410	1.0
93.07042	1.4
95.04958	1.2
95.08605	0.8
96.02119	1.8
96.08176	0.3
98.09705	0.4
98.23438	0.4
99.04460	0.3
100.07646	0.3
103.95644	0.9
105.07010	0.6
107.04964	1.1
107.08597	1.0
109.02868	6.0
109.06514	0.7
109.10147	0.8
110.03661	6.3
111.03770	0.5
111.04454	5.9
111.08090	0.8
117.93557	0.3
118.94314	0.4
119.95168	0.4
121.96680	0.5
123.08000	0.4
123.11711	0.8
124.07596	0.3
124.11182	0.4
125.05991	2.8
127.03906	3.5
128.95110	0.6
133.10150	0.7
137.02336	100.0
138.02684	0.8
141.05420	0.6
142.69502	0.4
145.96655	1.6
151.03885	1.3
152.06985	0.3
155.03413	0.7
163.97679	3.2
168.17470	1.2
169.04959	5.8
169.17822	0.5
170.11780	0.9
180.76489	0.3
181.98813	1.2
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	Orsellinate
Peak:m/z	Relative Intensity
50.24922	0.4
53.03951	0.6
55.01880	0.6
55.05513	0.5
56.96580	0.7
57.03436	0.5
59.04988	0.4
63.27512	0.4
65.03944	61.8
66.04263	0.7
67.05502	2.9
69.03442	0.5
69.43578	0.4
70.38642	0.4
70.62514	0.4
71.04990	0.8
71.47552	0.4
75.68346	0.4
77.03930	0.7
79.05481	4.8
81.03419	1.3
81.07078	2.5
83.01344	4.8
83.04977	1.2
85.94598	1.0
91.05456	0.6
93.03407	31.3
93.07039	2.0
95.04973	4.6
95.08599	1.4
97.06528	0.9
98.09708	0.5
98.23463	0.8
103.95667	0.7
105.03390	1.0
105.04534	0.7
105.07047	1.0
107.04961	4.5
107.08598	1.4
108.02103	0.8
109.02890	2.0
109.06502	0.8
109.10113	0.7
110.03664	15.0
111.04446	100.0
112.04798	1.1
119.95136	0.5
123.04456	5.8
123.08104	1.1
123.11708	1.2
125.05994	45.3
126.06370	0.5
126.09176	0.7
133.02855	2.8
133.10129	0.8
134.06000	1.3
135.05525	1.8
141.05487	3.1
151.03917	24.6
151.05011	2.2
151.07538	0.8
151.11211	0.6
152.07045	0.7
154.02592	0.7
160.99088	0.4
163.97696	1.6
168.17503	1.0
169.04964	17.7
169.09746	1.4
181.98790	0.5
182.31606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03960	3.1
53.71706	1.9
55.01847	3.6
55.05502	9.7
57.03434	3.2
57.07078	12.0
59.04998	8.8
61.07331	2.0
61.75693	2.1
65.03915	3.2
67.05503	38.5
69.03425	14.4
69.07069	20.3
71.04996	13.7
79.05502	11.9
81.03418	7.1
81.07058	100.0
83.04976	7.8
83.08630	2.6
85.06539	13.5
91.05485	6.7
93.07040	17.3
95.04964	23.7
95.08615	21.4
97.06517	3.7
104.82853	2.3
105.07020	14.6
107.04881	2.3
107.08583	15.8
109.02887	8.4
109.06528	30.9
109.10152	40.4
111.04417	2.8
111.08065	5.9
113.06049	4.2
121.10130	7.5
123.08073	12.2
123.11707	76.5
127.07584	6.4
128.95154	3.1
132.64725	1.9
133.10141	14.9
137.01297	3.9
137.02341	73.0
138.02632	2.3
141.05608	2.8
151.07610	3.6
151.11180	43.1
151.56873	2.4
163.97697	3.4
169.05008	4.7
169.07579	13.9
169.12196	15.2
170.06015	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	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03921	1.5
55.05505	3.4
57.03421	3.5
57.07064	4.5
59.04998	14.8
65.03920	5.0
67.05506	47.0
69.03416	2.7
69.07063	5.0
71.04981	3.5
71.43998	1.5
79.05491	9.1
81.03422	1.8
81.07056	38.5
83.04975	6.0
83.08601	2.4
85.02898	20.0
87.04466	2.8
91.05470	7.1
93.03371	1.6
93.07042	14.1
95.04966	35.8
95.08612	10.0
98.82313	1.4
99.08083	1.9
99.66029	1.6
105.07040	13.7
107.08593	20.1
109.06521	46.0
109.10152	100.0
110.10471	2.7
111.04441	3.5
111.08085	2.4
113.06013	3.4
121.10131	3.6
123.08088	8.3
123.11699	20.7
123.61563	1.5
125.06024	2.1
125.09650	3.5
133.10135	11.1
139.03928	1.5
141.05429	2.4
141.06989	1.8
145.96762	2.4
151.03922	1.8
151.11172	23.9
154.06247	2.7
161.29303	1.3
163.97716	2.5
169.04945	3.1
169.07584	3.0
169.08833	1.6
169.10107	1.9
169.12234	7.2
181.98898	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03939	1.9
55.01869	8.6
55.05512	12.2
55.74051	1.7
57.03436	2.0
57.07072	4.6
59.05004	4.2
64.24107	1.8
65.03922	3.9
65.93214	1.6
67.05509	20.5
69.03442	3.2
69.06708	3.4
69.07065	37.8
69.74931	4.3
69.75317	3.5
71.04991	17.1
73.06551	14.8
79.05502	11.3
81.03441	1.5
81.07056	62.6
83.04994	2.7
83.35814	1.7
83.44547	1.9
85.06546	3.6
89.69777	1.5
91.05486	4.8
93.07047	12.0
94.07370	1.7
95.04967	7.7
95.08604	16.9
97.06532	18.1
101.57327	1.7
105.07034	9.1
107.08585	16.6
109.06519	14.9
109.10152	26.4
111.04443	3.7
111.08075	3.6
121.10133	6.7
123.08073	6.8
123.11708	100.0
124.12031	3.0
125.09693	2.0
128.95067	3.4
133.10123	7.2
135.08107	2.0
136.08818	4.4
137.02356	6.1
139.11195	4.0
141.05470	2.2
146.96158	2.5
151.07594	2.7
151.11180	42.1
153.09059	2.0
163.97754	2.4
169.04997	2.8
169.07603	7.0
169.10043	2.2
169.12231	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.25268	2.7
55.05513	10.8
57.03419	3.6
57.07068	4.6
59.04995	8.0
60.42754	2.7
65.03932	4.3
67.05502	21.6
69.07063	22.2
69.71437	7.5
71.04993	79.8
79.05491	17.3
81.07057	100.0
83.04990	8.2
83.08597	3.9
85.06539	4.6
85.94592	6.5
91.05469	8.1
93.06511	5.3
93.07050	50.0
95.04969	14.5
95.08601	15.3
97.06521	5.8
98.23386	5.7
99.04464	21.8
99.08070	14.3
103.95666	3.6
105.07030	10.4
107.08595	25.9
109.02872	5.3
109.06524	11.3
109.10161	81.8
111.04453	4.2
111.08089	28.7
113.06003	3.8
118.89869	3.0
122.83328	2.9
123.08069	8.5
123.11699	55.0
125.05975	4.1
126.03172	3.8
127.03027	3.1
127.03847	6.1
128.95052	3.1
133.10143	10.9
139.11172	7.1
141.05447	11.8
145.96680	5.0
146.02798	3.5
151.07582	7.9
151.11205	12.6
156.85730	2.9
163.97696	12.0
169.04933	9.3
169.07620	8.0
169.12254	10.2
170.09729	4.9
179.52852	3.0
181.98808	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	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03947	1.7
55.01868	2.3
55.05512	11.8
57.03434	1.5
57.07074	9.0
57.36516	1.1
59.05007	7.1
65.03938	2.8
67.05507	37.4
69.03433	10.9
69.06712	2.0
69.07069	26.3
70.86995	1.7
71.04990	17.0
71.05349	1.4
73.06542	1.3
79.05490	14.0
81.03408	1.9
81.07057	100.0
82.07397	2.3
83.04983	7.7
83.08615	2.6
85.06548	15.0
85.94635	2.2
91.05486	8.5
91.67604	1.2
93.07045	19.8
95.04967	24.9
95.08604	23.6
96.39159	1.2
97.06520	5.6
102.18586	1.1
105.07027	13.4
107.04970	1.3
107.08597	16.9
109.02913	1.2
109.06519	30.4
109.10152	38.0
111.08073	1.9
113.06027	3.9
121.10151	9.4
123.08068	8.1
123.11703	82.9
124.12137	1.1
125.09598	3.0
127.07565	3.7
128.95137	1.7
133.10123	10.9
136.08781	1.2
137.02345	8.3
139.11140	1.6
145.96663	2.0
151.11180	55.0
163.97745	3.2
169.04987	1.5
169.07620	13.8
169.12233	14.4
172.32112	1.3
180.78502	1.2
181.98817	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
51.06531	1.9
53.03942	2.5
55.01880	2.7
55.05519	4.4
56.96553	2.2
57.07084	3.1
59.05003	100.0
65.03939	11.1
67.05510	55.4
68.99805	2.7
69.07072	8.4
69.20344	13.8
71.04986	11.1
79.05488	5.4
81.03429	5.4
81.07061	34.2
83.04978	5.3
85.06570	4.3
85.94609	2.8
88.22250	2.1
91.05492	2.3
93.07058	10.7
95.04970	59.0
95.08591	11.4
98.23423	5.0
100.04936	2.1
101.06026	3.6
103.95568	2.4
105.07059	6.4
107.04945	2.3
107.08595	6.2
109.02872	13.9
109.06524	5.9
109.10170	12.4
111.04468	4.5
111.08075	29.3
113.06028	3.6
123.04458	5.5
123.08099	8.8
123.11705	24.4
125.06032	2.3
125.09626	2.2
127.03916	24.1
128.95099	4.4
137.02348	5.1
141.05493	3.8
146.96091	5.5
151.07581	7.1
151.11261	4.5
163.97719	10.3
169.04958	6.8
169.07571	6.6
169.08652	9.4
169.12172	2.7
170.09612	3.6
181.98790	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	170.0813
Annotation	(-)Arterenol
Peak:m/z	Relative Intensity
54.03454	0.5
55.01863	1.5
55.05513	2.3
55.93517	0.8
56.05037	4.9
56.96574	2.5
57.03435	0.7
65.03944	5.8
67.05504	1.1
68.05028	2.5
68.99796	2.0
69.03432	5.5
69.07075	1.1
70.06595	74.9
71.04984	1.7
72.04518	1.7
73.02925	1.7
79.05489	8.3
80.05024	0.9
81.03419	1.9
81.07082	1.6
82.06577	1.9
83.04991	3.4
83.06100	0.6
84.04507	2.0
84.08129	1.4
84.96027	0.6
86.06076	1.4
87.04472	2.2
88.95303	0.7
89.07166	1.6
92.05016	0.9
93.03412	1.5
93.05797	1.8
94.06567	1.2
95.04989	0.9
96.04504	0.6
96.06892	2.4
96.08136	34.0
97.02925	1.2
97.06516	0.9
97.07727	0.7
106.06557	15.1
107.04958	0.8
108.08136	5.5
109.02899	1.2
109.07657	1.6
110.06045	1.1
111.04443	22.6
114.05540	1.9
114.09174	8.5
114.97194	0.8
121.03997	2.4
124.07599	73.4
124.08620	3.0
124.11225	16.8
124.12103	1.1
125.02398	0.9
125.08369	3.2
126.01074	0.6
127.03931	4.8
128.07066	0.9
128.95117	2.4
134.06010	4.3
139.03908	25.5
140.06990	0.7
142.08641	30.5
142.12241	0.7
146.96158	2.7
147.78773	0.7
152.07066	8.8
153.01825	9.5
155.03406	6.8
170.05768	6.5
170.08134	100.0
170.09436	5.3
170.11758	24.9
171.02962	0.7
171.06526	1.7
171.08659	0.7
171.14864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1176
Annotation	3alpha-Acetoxynortropane
Peak:m/z	Relative Intensity
55.01867	1.2
55.44589	0.1
56.96568	0.2
57.07071	1.8
60.04531	0.1
69.99062	0.3
72.04510	1.3
83.08623	0.2
85.78274	0.1
86.06073	1.0
86.09698	100.0
87.10002	1.0
89.07159	0.6
98.95450	0.1
114.58540	0.1
116.10747	0.9
128.10707	25.5
128.95084	0.4
129.11050	0.5
142.12260	0.5
146.96109	0.4
162.46899	0.1
170.09601	0.3
170.11752	4.9
170.54195	0.1
171.14912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.154
Annotation	Nitramine
Peak:m/z	Relative Intensity
54.53228	1.7
55.01868	2.7
55.05507	14.4
56.96560	3.1
57.03421	2.0
57.07074	17.2
58.06589	4.5
67.05482	7.7
69.03405	2.5
69.07066	100.0
70.06599	2.6
71.04987	4.2
71.08632	13.0
72.04512	17.5
72.08159	13.1
79.05016	1.6
79.05468	7.9
81.07057	20.0
83.04969	5.5
83.08622	19.1
84.60007	1.7
85.10166	2.2
86.06067	18.1
86.09698	3.0
89.07133	7.3
91.05402	1.9
93.07049	20.3
95.08589	20.6
96.08099	2.0
97.06526	31.0
100.07613	27.1
103.66185	1.9
107.08591	26.6
109.10156	11.6
111.08077	14.7
111.11728	25.1
114.08456	2.9
114.09164	31.9
128.10692	5.0
128.14343	6.2
128.95108	4.8
135.11684	56.4
146.96109	3.2
152.14331	1.8
153.12737	48.4
170.09634	4.0
170.15388	55.2
171.14961	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	171.017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46394	12.6
58.91018	12.8
69.11380	10.9
92.06703	12.0
96.92197	14.0
104.63354	12.6
112.89600	100.0
115.08657	17.4
116.93111	13.9
122.87344	12.9
128.00215	13.5
160.88014	12.6
171.01662	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	171.029
Annotation	Gallic acid
Peak:m/z	Relative Intensity
50.88750	0.7
51.02380	0.8
53.00312	0.9
53.03944	4.0
55.01868	6.2
55.05500	3.2
56.96571	1.7
58.75071	0.7
59.04993	2.7
65.03941	2.1
68.99770	2.0
69.03422	5.3
69.07059	1.0
70.06581	3.4
70.94275	1.4
71.04982	1.3
72.04507	7.4
72.08143	2.5
79.01855	7.0
79.05483	3.9
81.03418	63.4
81.07031	1.2
83.01356	1.0
83.04977	3.0
83.08628	2.6
84.08144	4.1
85.02887	1.2
85.07664	0.8
87.04471	12.4
88.95267	1.3
89.07148	7.4
90.49643	0.9
93.03413	1.1
95.04949	1.2
96.02097	1.5
96.06877	7.2
97.02911	5.5
97.06528	3.1
98.97566	1.3
101.00866	1.2
107.01318	67.4
107.04967	5.0
107.08569	1.4
108.08141	1.0
109.02881	100.0
111.00803	1.9
111.04453	10.7
114.84850	0.8
114.85675	0.8
115.03918	7.7
116.98665	1.2
119.01899	2.9
124.11259	1.0
125.02353	51.1
125.05994	3.0
125.07115	6.2
126.87111	0.9
127.03916	93.2
135.00763	8.1
135.04424	1.4
137.03445	3.2
139.03906	9.2
143.03409	2.4
143.05299	0.9
148.02765	1.8
148.97346	0.9
153.01828	85.7
153.07469	2.0
154.08574	1.6
170.11787	2.0
171.02890	32.0
171.06325	4.0
171.07660	11.1
171.09790	2.2
171.11324	3.9
171.14886	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	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
50.31577	0.4
51.12627	0.4
55.01878	1.9
55.05516	3.6
65.03945	21.1
66.04272	0.5
67.05507	1.7
68.99796	6.9
69.03422	1.4
70.03661	1.1
72.04530	2.9
72.08159	0.9
74.06094	0.5
81.03412	2.8
82.06576	0.8
83.04987	10.7
83.08612	0.7
89.07162	1.3
93.02867	0.8
93.03415	10.7
96.02126	0.9
96.06889	0.5
97.02886	1.1
97.99863	0.4
98.06033	0.8
98.23354	0.7
99.77086	0.4
109.02906	0.5
111.04449	76.5
112.04770	1.2
121.02942	1.1
121.04002	10.0
124.11304	0.7
125.05959	0.7
127.03870	0.6
130.96306	0.6
139.03908	100.0
140.04218	1.2
153.01796	0.5
154.12297	2.4
156.03842	0.6
171.06532	7.6
171.07826	0.5
171.11974	0.6
171.14949	1.8
172.13356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01868	1.6
55.05510	3.5
65.03942	22.1
67.05513	1.3
68.74847	0.5
68.99797	6.4
69.03425	1.5
69.60803	1.1
69.61193	0.9
71.06911	0.8
72.04512	1.5
81.03403	2.6
83.04985	9.2
83.08670	0.6
89.07126	1.1
93.03405	10.9
95.04958	0.6
96.02099	0.7
97.02890	1.1
111.04443	73.3
112.04742	0.7
121.02903	1.6
121.03993	10.2
125.05961	0.5
125.11596	1.6
139.03900	100.0
140.04222	1.5
171.06523	8.1
171.07912	0.5
171.12035	2.4
171.14894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0766
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
51.71182	0.3
55.01875	0.7
55.05501	0.9
57.03428	0.5
64.22536	0.3
65.03941	0.6
68.05015	0.6
68.99791	0.9
69.77139	0.5
69.77485	1.0
70.06583	1.5
72.04512	4.5
79.05494	0.4
81.03419	0.5
81.04527	0.5
82.06544	0.4
83.04987	0.6
83.08613	0.8
84.08129	1.3
84.42284	0.3
85.02937	0.4
87.04472	3.2
88.07619	0.9
89.07156	2.7
95.06087	6.4
96.06869	55.4
97.06608	0.6
97.07162	0.5
97.07665	5.8
98.23473	0.7
100.02466	0.6
107.04913	0.4
111.00803	0.7
111.04427	2.5
115.03941	2.1
119.01966	0.4
125.07111	49.5
126.07432	0.9
126.09167	0.7
129.54547	0.5
139.00256	0.7
139.03893	2.8
139.04926	0.4
153.06564	1.3
171.07639	100.0
171.14935	3.1
172.07993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Isoboonein
Peak:m/z	Relative Intensity
55.01871	19.0
55.05512	53.3
57.03442	9.1
57.07080	3.6
58.63641	3.1
65.03939	10.8
67.05511	52.3
69.03444	7.6
69.07074	11.5
71.04980	23.0
71.44130	3.4
72.04516	100.0
76.48897	3.5
79.05495	87.1
81.03412	7.5
81.07061	32.2
83.04976	18.3
83.08617	28.1
85.06538	34.9
86.09718	5.0
87.04472	10.6
89.07153	79.3
91.05471	22.5
93.03424	5.2
93.07040	34.4
95.04940	4.0
95.08620	6.2
97.02883	7.4
97.06550	8.2
99.04469	28.4
105.07035	9.0
106.79292	3.4
107.04959	36.5
107.08601	93.8
109.06519	8.5
109.10147	8.0
111.04448	37.5
111.08087	7.9
115.05473	9.4
117.07014	35.5
125.09628	27.8
127.03915	4.7
128.06226	7.1
135.08055	55.6
139.03918	11.5
147.96793	4.5
153.09084	29.5
153.12811	4.5
171.02957	8.1
171.05554	5.9
171.07822	4.2
171.09982	20.3
171.11542	5.6
171.14914	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
55.01881	3.6
55.05514	19.5
57.07088	7.9
59.05002	4.0
60.08165	1.4
67.05506	31.1
68.74434	1.4
69.07067	100.0
69.23952	4.0
69.24360	4.0
71.04992	41.1
72.04516	22.8
79.05482	11.8
81.07053	27.4
83.05000	2.3
83.08614	27.8
85.06542	2.3
88.95308	1.4
89.07150	21.9
91.05487	5.1
93.07044	38.0
95.04988	2.1
95.08604	91.7
96.08995	2.4
97.06530	19.9
99.08065	1.8
105.87470	1.8
107.08595	34.8
109.10156	33.0
111.08054	6.8
111.11721	3.0
114.61408	1.5
119.42136	1.6
123.11714	2.6
125.13340	2.0
128.06189	2.6
135.11693	41.5
143.08539	4.1
153.12732	16.1
156.09343	5.8
171.07895	2.7
171.11684	4.6
171.13586	8.0
171.15001	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23281	5.4
55.05510	18.4
58.98722	6.2
60.42128	6.3
69.07051	13.3
69.51012	14.7
69.51404	9.0
71.04990	14.8
72.04514	100.0
81.07053	25.6
83.08617	25.1
89.07150	90.7
93.07039	20.8
95.08609	9.4
98.22751	11.3
107.08591	40.3
135.11700	18.8
136.67220	6.5
143.08557	8.8
153.12784	8.8
156.09331	10.0
171.08064	10.6
171.11650	7.7
171.14923	73.3
194.09880	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	171.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.7
60.34383	4.8
62.66237	4.3
67.05492	5.9
69.07070	11.0
71.04993	6.0
71.46086	4.8
72.04512	100.0
75.50230	4.7
81.07056	14.0
83.04967	18.9
83.08613	30.4
86.67404	4.5
89.07157	82.5
93.07047	13.5
95.08635	8.9
107.08625	7.4
135.11696	8.4
143.08559	5.2
153.12788	5.9
156.09340	9.4
166.99574	4.3
171.04196	4.5
171.09215	7.0
171.11714	11.9
171.14928	72.8
182.24905	4.5
193.46324	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
50.84862	0.6
53.03939	1.2
55.01864	1.2
55.05511	14.2
56.90804	0.8
57.03436	3.9
57.07066	3.1
59.05010	5.9
67.05506	14.3
69.07070	15.8
71.04993	100.0
71.18691	1.0
72.04518	22.6
73.06555	15.2
78.18585	0.7
79.05495	17.9
81.07057	71.9
83.04946	0.8
83.08624	10.9
84.08090	0.7
85.06541	14.6
89.07151	18.6
91.05485	4.9
93.07043	40.6
95.04966	1.4
95.08612	7.3
97.06532	13.6
97.10157	1.1
105.04542	1.1
105.07063	2.4
107.08595	31.3
108.89985	0.7
109.10155	9.8
111.04469	1.3
111.08099	2.9
113.05939	0.8
114.72505	0.7
116.26458	0.7
123.11717	20.4
125.09677	1.6
128.06224	1.8
135.11693	46.9
139.03925	1.9
141.06993	2.0
141.12744	41.9
143.08565	3.2
153.12743	42.2
154.13120	1.1
156.09314	7.7
171.05583	0.9
171.08057	1.7
171.11674	7.5
171.13786	9.9
171.14980	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	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
52.79801	0.9
55.01869	9.0
55.05510	16.4
57.03436	56.8
57.07071	1.7
58.69563	0.8
64.81492	0.9
67.05504	39.5
69.03419	2.8
69.07068	36.7
69.78584	2.9
69.78932	1.1
71.04983	3.8
72.04518	13.5
77.64378	1.0
79.05487	3.1
81.07060	12.2
83.04975	5.8
83.08618	25.6
85.06535	3.1
89.07158	11.6
93.07036	4.9
95.08597	3.2
97.06551	6.8
98.35644	0.8
98.97591	1.0
99.08099	2.4
107.08588	7.0
109.10154	100.0
110.10472	1.5
111.04399	1.0
111.08076	12.5
113.25345	0.9
125.09588	1.5
127.11195	26.7
135.11696	3.0
143.03410	1.9
143.08549	1.7
153.09146	1.3
153.12743	4.9
156.09325	2.2
171.02954	2.4
171.11688	2.0
171.14005	0.9
171.14992	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
55.05511	16.6
57.03426	2.6
57.07066	2.1
59.05002	6.5
67.05503	12.7
69.07064	16.7
69.21140	1.3
69.42396	5.8
71.04993	100.0
72.04519	22.1
73.06560	16.0
79.05495	21.1
81.07056	91.1
82.07433	1.6
83.04976	1.6
83.08629	9.7
85.06537	16.0
85.06906	1.4
85.62112	1.3
89.07152	22.3
91.05497	5.5
93.06454	2.4
93.07043	47.9
95.08611	8.3
97.06536	13.5
105.07104	2.9
107.08597	41.7
109.06477	1.9
109.10146	10.1
111.08090	5.4
123.11700	28.3
128.06236	5.4
129.06969	2.0
135.11694	62.2
139.03822	1.8
141.12737	58.3
143.08592	2.7
153.12746	64.7
156.09346	6.1
171.02953	2.5
171.08063	4.0
171.11775	8.9
171.13751	8.2
171.14955	19.9
185.14253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59740	2.3
55.05513	22.6
57.03433	4.4
59.05006	9.5
67.05503	100.0
69.07062	3.4
71.04979	5.4
72.93793	5.7
81.07063	12.9
83.04983	20.3
83.08643	5.9
85.06555	4.1
90.90408	16.7
90.94846	5.1
91.05480	4.2
95.08582	5.3
101.06026	15.4
109.10163	67.3
111.04448	24.0
113.06055	2.6
117.07029	3.1
119.08590	6.1
129.05414	5.3
131.08519	12.3
131.92976	5.4
137.09674	2.4
145.10110	4.7
149.94069	11.0
149.96086	3.5
149.97244	3.6
155.06989	12.9
173.08139	30.3
173.11717	8.8
173.13281	13.1
174.07567	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	173.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88696	1.5
55.05510	23.2
56.39196	1.4
58.10748	1.4
59.04991	8.5
60.04515	2.6
67.05500	2.0
69.03435	2.4
69.07061	17.7
71.08629	100.0
72.93795	7.7
83.04975	18.1
85.92994	1.7
87.04514	1.9
88.01889	1.5
89.59970	1.4
90.90386	5.6
90.94828	4.7
91.05478	1.6
91.19063	1.8
95.08591	2.7
97.02889	5.6
99.08092	67.6
101.06006	17.0
103.03265	1.8
104.11292	1.4
105.06998	2.4
111.04441	28.2
111.98473	2.6
113.05998	3.8
114.05531	3.3
117.07027	3.5
119.08575	2.0
127.07561	2.4
129.05463	10.7
129.12753	7.3
130.06572	1.7
131.08583	14.7
131.92979	2.3
131.96188	2.3
131.97426	4.5
132.06578	2.0
132.95804	3.7
145.10136	4.0
149.94037	5.1
149.97227	3.8
150.96909	5.9
155.07021	18.1
155.97440	2.5
158.10907	4.5
167.97139	2.4
173.05890	2.1
173.08104	33.1
173.09630	3.0
173.13257	15.2
173.98483	3.9
174.07553	8.5
174.12772	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.91028	0.7
53.03936	1.2
56.05023	3.1
57.03442	9.6
60.04527	46.7
61.02919	1.0
67.89461	0.7
68.05044	4.0
69.03432	16.2
70.06590	2.2
70.66561	0.7
70.95868	1.5
72.04524	1.1
72.36130	0.8
74.13183	0.7
84.04508	35.5
85.02908	13.4
86.06063	3.6
91.03960	1.5
96.04496	13.1
97.02895	98.5
98.06050	0.9
98.98441	2.3
100.03968	1.0
102.05550	9.8
111.98506	1.0
112.92931	1.0
114.05531	41.2
115.03919	6.6
128.07072	0.8
131.97466	1.1
132.06590	4.8
132.95851	2.7
138.05513	1.6
146.10490	1.0
149.98431	0.8
150.96912	2.3
155.97372	1.1
156.06551	2.2
174.07622	100.0
174.13695	1.4
175.07823	1.7
175.14888	0.8
188.72270	0.9
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
57.07068	3.0
60.05658	0.5
61.02929	2.8
64.81126	0.5
69.45470	1.8
70.06588	1.4
70.95851	0.6
72.04519	0.5
72.93791	0.6
73.02917	0.8
86.09705	100.0
89.06023	2.8
98.98463	3.0
103.86502	0.5
111.98475	0.6
112.04778	0.6
116.07121	0.8
118.06558	0.7
127.95842	0.5
128.07066	0.9
129.99573	0.5
131.97447	1.1
132.06554	1.9
132.08107	0.7
132.95821	1.4
144.08081	0.6
149.98470	0.7
150.96896	2.3
155.97440	1.0
156.07388	0.4
173.98524	0.8
174.07568	2.6
174.12764	3.0
174.14894	21.2
175.07564	0.7
175.11945	0.8
175.15009	0.6
193.58685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23533	0.4
56.31266	0.5
56.96555	0.9
57.03437	0.5
58.99847	0.7
61.82051	0.4
69.15670	1.8
69.16077	0.6
70.60270	0.4
77.00914	0.6
82.99843	1.7
85.01402	7.3
89.47503	0.4
98.97578	11.1
98.98453	7.1
101.00877	12.1
103.02441	19.1
113.00861	1.0
115.02428	6.3
116.01927	0.7
116.07134	0.5
116.97232	1.1
116.98613	8.3
119.01917	37.4
120.02035	1.6
121.03480	6.8
127.02388	1.2
131.01920	2.8
133.03464	49.5
134.02954	1.3
134.99648	4.1
137.02966	9.2
145.03455	13.9
149.02917	0.5
150.96822	0.5
151.04512	17.0
151.98553	0.7
152.96840	0.6
153.00697	0.6
155.26079	0.5
156.05069	0.5
157.03511	3.2
158.01276	0.9
163.04526	5.1
174.06091	0.6
175.04521	100.0
175.98524	0.9
176.02347	0.7
176.04665	2.7
180.22630	0.4
193.05588	3.1
193.07202	0.7
194.06975	0.5
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
60.05649	38.3
69.82163	1.1
70.06593	100.0
71.05003	1.2
71.06943	0.5
71.59115	0.3
72.08152	4.2
88.07623	0.5
97.07626	0.8
98.06081	0.5
98.22827	0.5
112.07569	0.5
112.08742	4.4
113.07117	0.6
114.10312	0.9
115.08730	0.9
116.07094	32.0
117.07478	0.4
121.02657	0.3
130.09766	14.3
133.03455	0.4
133.09702	0.3
157.10818	1.3
158.09245	8.7
175.04486	0.8
175.11906	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	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05651	46.9
67.57150	0.4
69.87111	1.2
70.06594	100.0
71.05001	1.5
71.06926	0.5
72.08160	4.8
88.07626	0.5
97.07686	1.4
98.06049	0.5
112.08735	4.8
114.10287	0.8
115.08683	0.8
116.07094	34.3
121.66514	0.5
126.70020	0.4
130.09766	14.7
136.07144	0.4
152.10924	0.4
157.10861	2.2
158.07948	0.5
158.09251	10.3
175.11909	39.0
176.12251	0.4
176.59930	0.4
185.98450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	40.0
63.50772	0.4
68.54700	0.4
70.06590	100.0
70.28006	0.5
70.28333	0.4
71.05000	1.3
71.06915	0.6
72.08149	4.6
84.08146	0.6
85.36166	0.4
97.07622	1.0
98.06075	0.8
98.22826	0.5
112.08728	4.6
114.10270	0.6
115.08699	1.0
116.07090	31.1
130.09758	13.3
141.06554	0.6
157.10880	1.3
158.09254	10.6
158.10477	0.9
170.32228	0.4
175.11900	37.5
191.21495	0.4
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
53.03911	0.7
55.05507	7.3
57.07067	1.1
60.05643	4.1
67.05494	3.0
69.07069	15.1
69.52335	3.2
70.06585	11.4
76.56495	0.8
77.03944	0.7
79.05482	2.8
81.07062	10.7
83.08630	5.2
87.50570	0.7
88.81635	0.8
91.05474	12.3
93.07047	6.1
95.08601	6.4
98.97581	2.6
98.98459	11.9
105.07027	34.2
107.08589	7.2
112.08713	0.9
115.05412	0.8
115.22803	0.8
116.07085	4.1
116.97220	2.3
116.98625	1.5
116.99422	0.8
117.07009	3.4
118.07803	0.9
119.04940	1.7
119.08579	73.0
120.08926	0.9
121.10141	2.3
128.06219	0.9
130.06566	1.2
130.09744	1.2
131.08534	7.0
133.10127	51.8
134.10434	1.0
143.94798	0.8
145.10127	3.5
146.10921	1.6
147.04372	1.1
147.09192	0.8
147.11671	12.9
151.93709	1.2
152.96973	0.9
157.10139	0.8
160.05180	1.4
160.12459	1.8
165.27426	0.8
173.13235	2.4
175.07520	5.4
175.12015	2.8
175.14815	100.0
176.15196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03928	0.7
55.05511	8.4
57.07056	0.8
60.05661	4.9
60.40018	0.7
67.05516	3.7
69.06708	1.2
69.07069	14.3
69.07442	1.0
70.06593	11.2
79.05504	3.7
81.07052	14.0
83.08598	3.1
86.09731	0.7
88.78976	0.8
91.05477	14.1
93.07047	6.5
95.08607	10.5
98.97635	3.4
98.98469	12.5
103.05434	0.7
105.07030	39.5
106.07317	0.7
107.08599	7.5
109.10146	0.7
112.08731	0.7
112.13385	0.6
116.07087	2.9
116.98618	3.2
117.07002	2.4
119.08580	71.1
120.08914	0.9
121.10214	1.3
130.09769	1.8
131.08556	7.6
132.95860	1.0
133.10132	44.2
134.99643	1.5
145.10156	2.8
146.10904	2.8
147.04318	1.0
147.08090	2.2
147.10571	1.1
147.11690	14.3
151.93802	0.8
173.13342	1.2
175.07607	2.3
175.11821	3.4
175.14825	100.0
175.98563	1.1
176.15157	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
50.40754	0.2
51.02384	0.9
52.65645	0.2
53.00315	0.3
53.03938	0.5
56.96567	0.4
62.06096	3.3
63.02381	0.3
63.06427	0.4
65.03942	14.2
67.01871	0.3
68.99796	1.0
69.07041	0.4
69.48755	1.0
70.02950	0.3
74.60132	0.2
75.02361	0.7
77.03927	3.2
78.04716	0.7
78.06264	0.2
78.20644	0.3
79.01445	0.3
79.01856	3.0
79.07624	0.2
81.03419	0.7
89.03925	1.6
91.05481	1.0
93.03405	7.3
93.07040	0.5
95.04974	1.6
98.97591	2.6
98.98447	1.9
103.01830	2.9
103.05473	0.6
105.03391	6.6
105.04516	0.9
105.05220	0.2
106.04177	0.7
107.01321	0.4
107.04949	0.3
111.04416	0.4
116.98631	2.6
117.03384	2.5
117.67509	0.2
120.02095	0.4
121.02867	17.5
121.06492	0.7
122.03197	0.3
131.01291	3.4
131.04944	0.8
131.08508	0.2
133.02864	2.6
134.03633	3.1
134.99667	1.7
135.04442	0.3
141.01817	0.4
145.02852	2.8
149.02342	14.6
149.05984	3.7
150.03004	0.9
151.03891	0.8
159.00784	0.9
159.04395	0.3
162.03123	11.1
177.01830	100.0
177.05382	13.1
177.12766	0.4
178.02223	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
74.73730	5.2
79.05512	8.7
89.03915	42.7
91.05466	14.3
93.07051	8.6
96.93106	6.3
98.97603	22.3
98.98455	20.1
105.07027	8.2
107.08580	13.5
116.98660	9.6
117.03375	78.4
121.06509	10.2
121.10184	9.5
131.08578	9.0
134.03676	9.9
145.02856	100.0
146.35033	5.3
149.02391	11.5
149.05965	40.6
151.41759	5.6
161.07736	6.2
168.85880	5.8
177.05482	48.1
177.09058	37.7
177.12711	9.0
177.16402	9.5
186.76068	6.7
191.99698	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	177.0546
Annotation	7-METHOXYCHROMONE
Peak:m/z	Relative Intensity
53.03945	0.5
63.02396	0.3
65.03928	1.1
68.99803	0.4
69.29680	1.3
77.03918	0.7
78.04708	4.1
79.05490	2.9
81.07047	0.6
83.01353	0.3
83.91657	0.2
89.03916	1.9
91.04937	0.5
91.05482	7.6
93.03410	2.0
93.07052	1.2
95.04967	1.8
95.08627	0.5
95.41218	0.2
98.97602	1.4
98.98477	1.2
103.05468	1.5
105.03400	0.5
105.04503	1.0
105.07017	0.3
106.04173	15.0
107.08591	0.5
109.02914	0.2
110.82281	0.3
116.98623	0.7
117.03358	0.8
117.07027	0.4
119.04955	1.6
120.05688	0.4
121.06507	9.4
121.10157	0.4
124.05251	0.4
127.88431	0.2
131.04977	0.3
131.08553	0.4
134.03632	13.3
134.99646	0.3
140.48502	0.3
145.02855	1.1
147.04413	1.1
148.05186	0.9
149.02301	0.5
149.05984	5.8
149.09602	0.3
159.08025	0.3
159.11691	0.5
162.03131	4.8
177.05467	100.0
177.12685	0.8
178.05759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48645	0.2
53.03943	0.4
55.01870	0.7
56.96567	0.5
65.03937	1.1
66.04710	0.3
66.31364	0.2
68.99786	2.5
70.27776	0.2
71.44606	0.2
72.94867	0.2
74.49523	0.2
77.03927	0.5
78.04710	1.7
79.05489	0.8
81.03407	0.4
83.01328	0.3
83.91658	0.2
89.03905	0.3
91.05470	3.9
93.03419	0.8
93.07052	0.8
95.04960	1.1
98.97586	5.2
98.98448	1.6
103.05461	2.4
105.03424	0.2
105.04512	0.7
106.04181	1.5
107.04945	0.4
107.68401	0.2
109.02898	0.3
110.03671	0.3
116.98615	3.5
119.04923	1.4
120.05663	0.2
121.02888	0.6
121.06499	1.5
131.04941	1.1
131.08559	0.4
134.03630	27.4
134.99648	1.7
135.04047	0.2
140.96854	0.2
142.13081	0.2
147.04424	2.0
148.05194	0.4
149.02313	1.0
149.05974	2.5
159.04411	0.9
159.08047	0.3
162.03117	8.9
163.40907	0.2
175.03940	0.3
177.05460	100.0
178.05817	1.8
196.65730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	7-METHOXYCHROMONE
Peak:m/z	Relative Intensity
53.03940	0.2
55.01858	0.7
56.96558	0.3
64.36127	0.2
65.03934	0.7
66.04705	0.4
68.99784	2.3
77.03912	0.4
77.32003	0.2
78.04703	1.0
79.05476	0.7
81.03394	0.4
81.07028	0.2
91.05473	3.5
93.03391	0.7
93.07030	1.0
95.04953	1.2
98.23502	0.5
98.96984	0.3
98.97580	4.2
98.98454	1.1
103.05444	1.6
105.04516	0.8
106.04169	1.5
107.04933	0.7
116.97882	0.3
116.98606	3.0
117.03407	0.2
117.07037	0.3
118.04082	0.3
119.04935	1.8
121.02824	0.3
121.06489	1.2
131.04924	1.4
131.08540	0.4
134.03621	26.0
134.99638	1.5
135.03946	0.3
139.91058	0.2
147.04399	2.2
148.05133	0.4
149.02315	0.8
149.05962	2.4
149.09673	0.3
149.26488	0.2
159.04411	1.5
162.03107	9.3
163.03436	0.2
175.04013	0.3
177.05450	100.0
178.05807	1.3
182.59180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
51.02369	0.5
52.22202	0.3
53.03936	1.0
55.01875	2.7
56.96574	0.5
57.07060	0.5
65.03926	1.7
67.05508	0.5
68.99799	0.4
76.20374	0.4
77.03920	0.8
78.04719	0.5
79.05483	1.8
81.03377	0.7
81.07028	0.7
83.01340	16.6
89.03914	4.7
91.05479	7.4
91.93039	0.4
93.03394	1.2
93.07040	5.6
95.04955	4.1
95.08562	0.6
95.74823	0.4
98.96982	0.7
98.97573	7.3
98.98449	4.5
103.05460	4.6
105.04515	1.5
105.07008	1.0
106.04182	0.8
107.04939	1.0
107.08590	1.0
115.05403	0.5
116.98619	6.8
117.03380	4.3
117.06992	0.7
121.02860	3.3
121.06504	8.7
121.10153	1.1
131.04941	2.7
131.08575	1.7
134.03610	1.6
134.99649	4.2
135.04385	2.4
145.02827	4.1
149.02321	2.4
149.04861	0.6
149.05972	7.6
149.09615	1.3
153.00726	0.5
159.04353	1.1
159.08078	0.6
163.03842	2.3
176.04735	0.6
176.14192	0.4
177.05458	100.0
177.08771	4.4
178.05785	1.7
192.45853	0.5
197.53117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
67.05467	0.9
68.99771	1.1
69.12315	0.7
69.82709	0.7
70.95304	1.1
81.58923	0.7
83.00872	1.2
83.01342	14.1
87.61155	0.7
88.02216	1.5
91.05475	1.9
93.07046	1.8
105.07063	0.9
107.08613	0.8
109.06511	1.5
109.10113	0.8
112.22094	0.7
121.06498	11.5
121.10115	1.1
123.80046	0.8
131.08574	5.0
137.05966	1.4
149.09622	16.7
153.93700	1.6
159.08043	6.1
162.06764	6.4
175.07622	0.7
177.09100	100.0
178.09462	2.7
193.48274	0.9
194.02913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.05498	0.3
61.66543	0.2
67.05507	0.3
69.07071	0.5
71.31213	0.3
71.42979	0.3
77.97308	0.2
79.05489	0.8
81.07050	0.6
83.08626	0.4
89.03870	0.3
91.05476	2.6
93.07055	1.9
93.41924	0.2
95.04951	0.3
95.08594	1.0
95.18778	0.3
98.97564	0.9
98.98441	1.2
103.05452	0.6
105.06999	1.3
106.04163	0.4
107.08612	1.4
115.05444	2.4
116.06232	2.0
116.98633	0.7
117.03371	0.5
117.06181	0.5
117.07014	9.9
119.04935	0.9
121.06509	1.9
121.10155	1.8
131.08531	0.7
133.06480	2.1
133.10120	0.4
134.07281	3.4
135.08049	1.4
135.11674	0.7
144.05682	1.2
145.02814	0.9
145.06482	2.1
146.07353	0.3
147.04410	0.3
149.02312	0.6
149.05960	0.9
149.09616	0.8
159.11696	0.6
160.02927	0.3
161.05933	1.0
162.03152	0.3
162.06757	10.8
163.53452	0.3
175.07512	0.4
177.09099	100.0
177.16243	2.0
178.09471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	Phenmetrazine
Peak:m/z	Relative Intensity
53.03958	0.7
62.43575	0.2
65.03954	0.4
77.03923	0.6
79.05489	14.1
81.07040	0.4
88.02200	0.8
91.05480	1.1
95.04975	1.7
98.23525	0.4
103.05466	7.7
105.04523	0.8
105.07024	72.6
106.07362	0.8
107.08580	3.2
119.08587	4.8
133.06482	55.6
134.06812	0.5
135.08043	23.1
136.08371	0.2
141.71674	0.2
144.31932	0.3
151.07532	15.6
176.10678	1.4
178.12254	100.0
179.12645	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
56.96568	0.6
65.96612	0.4
70.63290	0.4
70.67030	0.4
75.87621	0.3
84.45310	0.3
91.05474	0.5
95.29562	0.3
98.97574	0.4
99.97924	0.4
105.07009	0.5
107.08593	0.4
111.62927	0.3
116.10703	0.4
116.98558	0.4
117.07017	1.0
118.06549	4.0
118.96758	0.5
119.07327	5.4
132.59959	0.3
134.09653	49.1
135.10022	0.5
160.11235	0.9
162.09158	1.4
163.09912	0.9
178.12268	100.0
179.03358	0.7
179.12721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28989	1.8
82.99838	2.0
83.19322	0.4
97.71736	0.5
100.02504	0.8
100.58969	0.4
101.00881	26.8
102.00945	0.5
115.02410	1.0
118.03495	0.6
119.01918	100.0
120.01997	1.9
133.03494	5.1
133.10103	0.5
137.02956	26.1
138.03036	0.8
142.03519	1.8
143.01872	0.9
143.03726	0.4
151.04523	2.0
156.00856	0.6
156.05057	3.5
161.02963	30.0
161.04506	1.9
162.03139	0.4
168.67456	0.4
174.06097	1.6
179.00764	2.0
179.04008	38.3
179.06429	1.1
180.04109	1.1
184.04543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01863	9.1
56.07820	1.0
57.03432	10.5
61.02930	4.9
69.03426	36.9
70.69312	1.6
71.01337	1.4
71.04995	2.2
71.14964	0.9
72.04521	4.5
73.02919	7.3
81.03419	3.4
83.01363	1.5
85.02902	100.0
87.04442	1.0
91.03929	1.4
95.41794	1.0
97.02892	22.6
98.97597	1.6
99.04449	8.8
101.02379	5.9
109.02911	2.7
114.05505	1.2
115.03920	3.5
117.05518	1.3
127.03912	60.9
145.04958	28.9
162.07582	1.4
163.06020	3.3
180.03757	1.7
180.08693	2.2
180.10103	1.0
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
50.45075	0.7
53.03943	1.1
55.01876	11.0
56.96569	5.1
57.03438	12.0
59.99029	0.8
60.04523	2.1
61.02926	6.3
69.03429	43.1
69.42978	4.1
71.04999	1.4
72.04517	5.6
73.02921	7.9
80.05009	1.0
81.03429	4.3
83.01366	1.2
84.96136	0.9
85.02907	100.0
86.03262	1.0
87.04427	1.0
91.03940	2.0
94.93035	5.1
95.40517	0.8
96.04498	1.4
97.02897	20.3
98.06058	1.8
98.22686	1.7
98.41745	0.7
98.97585	53.1
99.04459	10.4
101.02369	6.5
109.02886	3.1
114.05534	1.4
115.03908	4.9
116.98623	39.8
121.06531	2.3
127.03917	64.0
134.98698	1.6
134.99660	20.3
137.05899	1.3
140.00212	1.3
141.43222	0.8
144.06598	1.1
145.04956	30.9
153.00711	2.6
158.01265	1.0
162.07663	1.0
163.06041	3.7
180.08711	3.4
180.10168	1.1
181.04977	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
52.51383	0.2
53.03947	0.8
53.25077	0.2
54.04731	0.3
55.01880	0.9
56.96570	3.8
65.03941	2.3
67.05515	1.2
68.02633	0.3
68.99786	0.5
69.07092	1.2
70.33289	0.5
77.03937	1.8
79.05495	12.2
81.03426	1.8
82.04195	4.9
83.04971	0.3
85.02898	0.4
91.05484	1.4
92.45377	0.3
93.03416	1.3
93.07042	1.0
95.01324	0.3
95.04970	5.1
96.02125	0.3
97.06554	3.0
98.97587	35.9
103.05469	0.5
105.04532	2.4
105.07064	0.3
107.04946	4.8
107.06100	0.3
107.08555	0.3
109.02871	0.4
110.03663	7.8
111.04451	0.4
116.98625	22.4
120.02124	1.4
121.02874	0.3
121.06497	0.8
123.04472	0.5
125.05991	11.6
134.99657	7.0
135.04402	1.1
135.08080	0.6
137.02388	0.3
137.05946	0.3
138.03122	26.8
140.00157	0.8
149.02271	0.6
149.05981	0.4
153.00696	0.6
153.05473	10.5
153.09081	0.4
156.04160	0.4
158.01280	1.3
163.03902	0.9
166.02631	15.1
169.01334	0.4
171.06566	3.2
172.09225	0.3
176.02219	0.3
181.04956	100.0
182.05260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
50.61947	0.4
53.03936	1.9
54.04728	0.6
55.01870	1.2
56.96561	6.6
65.03939	1.9
67.05505	1.3
69.07041	0.8
71.05007	0.6
71.95249	0.7
77.03925	1.3
79.05492	13.8
79.05954	0.8
81.03401	2.9
82.04205	4.0
83.04987	0.5
85.02918	0.8
89.03922	1.5
89.73124	0.5
91.05498	2.0
93.03387	1.2
93.07046	1.7
95.04957	5.7
97.02905	1.0
97.06513	2.9
98.97581	78.0
103.05466	0.5
105.04506	2.1
107.04948	13.6
110.03670	6.6
111.04457	0.7
116.98620	57.8
117.03411	2.1
117.07011	0.8
119.04944	0.5
120.02096	1.2
121.02863	0.7
121.06501	2.0
121.10147	0.4
123.04408	1.2
125.05993	10.0
134.99655	26.5
135.03349	0.4
135.04413	17.0
135.08014	2.6
137.05965	3.7
138.03117	18.9
139.03906	1.1
139.07524	0.4
140.00204	3.0
145.02823	2.7
148.55096	0.4
149.02380	0.4
149.06062	0.7
151.03893	0.8
153.00708	2.6
153.05460	14.7
158.01224	4.1
163.03902	39.6
163.07539	1.0
166.02609	13.4
166.06293	0.4
171.06479	2.9
175.52280	0.4
181.04948	100.0
182.05356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49367	0.5
55.01860	1.3
56.96564	7.7
57.03429	1.7
62.06080	1.3
65.03939	0.9
67.05487	0.9
76.09355	0.7
79.05491	4.5
81.07043	1.0
91.05481	2.2
91.72034	0.6
93.07049	1.7
95.04963	1.8
98.22704	2.7
98.97576	100.0
103.05476	2.8
105.07005	4.6
107.04942	20.1
107.05676	1.0
107.08582	1.3
109.06487	1.0
111.08067	2.0
116.98615	54.0
117.07026	1.0
120.05718	1.0
121.02859	12.3
121.06513	3.7
123.04422	2.2
123.08050	0.8
123.63810	0.8
124.05186	5.2
125.02348	1.6
125.05997	1.4
131.04970	0.7
134.99654	17.4
135.04401	6.3
135.08038	20.7
135.09071	1.3
137.05986	0.9
138.06764	4.5
139.07532	81.3
140.00212	3.6
140.07912	0.8
148.05171	3.9
149.05952	1.6
153.05492	0.9
153.09129	1.0
158.01228	3.1
163.03896	6.0
163.07518	10.8
181.04999	10.7
181.08582	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Massariphenone
Peak:m/z	Relative Intensity
53.49367	0.5
55.01860	1.3
56.96564	7.7
57.03429	1.7
62.06080	1.3
65.03939	0.9
67.05487	0.9
76.09355	0.7
79.05491	4.5
81.07043	1.0
91.05481	2.2
91.72034	0.6
93.07049	1.7
95.04963	1.8
98.22704	2.7
98.97576	100.0
103.05476	2.8
105.07005	4.6
107.04942	20.1
107.05676	1.0
107.08582	1.3
109.06487	1.0
111.08067	2.0
116.98615	54.0
117.07026	1.0
120.05718	1.0
121.02859	12.3
121.06513	3.7
123.04422	2.2
123.08050	0.8
123.63810	0.8
124.05186	5.2
125.02348	1.6
125.05997	1.4
131.04970	0.7
134.99654	17.4
135.04401	6.3
135.08038	20.7
135.09071	1.3
137.05986	0.9
138.06764	4.5
139.07532	81.3
140.00212	3.6
140.07912	0.8
148.05171	3.9
149.05952	1.6
153.05492	0.9
153.09129	1.0
158.01228	3.1
163.03896	6.0
163.07518	10.8
181.04999	10.7
181.08582	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Massariphenone
Peak:m/z	Relative Intensity
56.96564	7.8
57.03430	0.7
62.06086	2.6
65.03943	1.2
67.01862	1.2
67.62838	0.6
67.78886	0.6
69.75399	1.4
69.75780	1.1
77.03914	0.6
78.57188	0.6
79.05492	5.0
81.03420	0.6
81.07064	0.7
86.92036	0.6
91.05491	2.0
93.07069	1.2
95.04979	1.5
95.08577	0.8
98.97587	100.0
103.05451	1.8
105.07047	3.2
107.04964	13.1
107.08616	1.2
109.06544	0.9
116.98627	59.6
117.07088	0.7
120.05705	0.8
121.02869	11.8
121.06502	2.4
123.04443	1.4
124.05231	4.1
124.50357	0.6
125.02362	2.3
125.06004	2.4
131.05028	0.7
134.99664	24.9
135.04416	15.7
135.05293	0.4
135.08058	9.7
137.05959	1.5
138.06783	3.5
139.07545	42.7
140.00177	3.6
148.05219	3.3
149.05995	1.2
153.00761	1.4
153.05469	1.2
158.01244	3.8
163.03905	12.1
163.07576	4.7
181.04985	23.6
181.08604	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	182.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67090	0.2
62.06092	14.4
63.35469	0.2
65.03939	1.7
69.61272	0.8
93.03407	0.7
98.97559	1.9
99.97928	1.3
109.23994	0.2
111.04491	0.4
116.98611	0.9
121.02869	100.0
122.03242	1.3
134.99649	0.3
135.76299	0.2
136.08344	0.3
139.07487	0.4
140.07883	1.0
164.07071	0.9
165.05478	0.8
182.08041	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0815
Annotation	Tyrosine
Peak:m/z	Relative Intensity
56.96556	2.0
63.30184	0.5
69.55612	0.5
70.94675	0.9
89.95210	0.5
91.05478	34.4
95.04962	14.9
98.97591	8.7
99.97925	3.3
101.00886	1.5
103.05437	1.2
105.04475	0.7
107.04953	1.4
116.98641	3.0
117.98943	1.7
118.06528	1.1
119.01961	1.5
119.04939	38.9
121.06459	1.5
123.04426	55.1
131.01875	0.9
136.07571	100.0
137.05992	0.7
137.07936	1.3
140.98537	0.9
142.03519	2.2
147.04407	19.0
158.99710	1.0
159.01566	0.5
160.04562	3.0
165.05475	38.7
166.05756	0.9
169.65433	0.5
182.08128	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	184.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	10.5
60.08424	0.8
63.30812	0.7
71.07381	1.2
71.43609	0.6
72.65561	0.7
74.66419	0.7
86.09699	11.2
101.00870	2.6
104.10739	100.0
119.01909	8.4
124.99989	4.8
137.02921	0.8
142.03474	1.6
161.02884	1.1
184.03659	1.3
184.06293	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56300	0.2
58.53938	0.3
60.00638	0.3
65.90229	0.3
82.99834	4.1
101.00877	42.7
102.00977	1.3
111.00445	0.4
119.01914	100.0
120.01975	2.7
121.02375	0.4
124.02453	3.7
125.02583	0.3
137.02950	17.3
142.03494	28.3
143.01892	0.6
143.03676	2.4
144.03178	0.3
160.04575	4.0
161.02954	16.3
161.04630	2.8
162.03099	0.4
179.04007	15.3
179.05504	0.8
179.99034	0.2
180.04164	0.4
184.04584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08149	0.3
57.03435	0.4
58.06602	0.5
58.43392	0.3
60.08164	4.3
61.02919	0.3
70.18511	0.6
71.07387	1.7
73.02901	0.4
82.99833	2.2
86.09704	15.6
97.02865	0.3
98.98475	3.0
101.00878	32.4
102.00957	1.0
104.10741	27.4
119.01917	100.0
120.02001	3.7
121.02393	0.4
124.02445	2.8
125.00001	11.8
125.07109	0.4
131.01918	0.4
133.03465	0.4
137.02957	22.7
138.03119	0.6
138.05525	0.4
142.03499	24.7
143.01898	1.2
143.03632	2.7
157.36293	0.3
160.04550	6.3
161.02963	12.4
161.04660	3.8
162.03122	0.4
162.04346	0.5
165.05093	0.6
166.05014	0.4
179.02411	0.7
179.04027	13.7
179.05681	1.6
180.04097	0.3
184.06158	4.7
184.07359	13.4
184.10869	0.4
184.13379	0.8
202.05690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69161	0.3
56.96924	0.2
61.02611	0.3
64.88183	0.2
67.02959	0.3
69.57861	0.8
72.43817	0.3
77.22823	0.2
82.99844	4.7
86.09694	0.7
88.05943	0.2
98.97597	0.3
101.00880	41.7
102.00932	1.8
119.01918	100.0
120.02002	2.6
124.02446	3.3
124.99982	0.6
125.02565	0.4
137.02957	18.6
138.03061	0.5
142.03499	24.4
143.01920	0.8
143.03606	2.2
160.04544	4.9
160.05849	0.3
161.02971	13.6
161.04636	2.3
162.04373	0.3
165.05098	0.4
179.02396	0.6
179.04013	13.2
179.05630	0.9
179.90556	0.2
184.04628	0.4
184.07347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0735
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05036	1.3
58.06592	0.7
60.08165	16.7
70.06625	0.8
71.07085	0.6
71.07378	7.5
82.67036	0.7
86.09708	78.0
91.92317	0.6
92.04964	0.7
98.98470	14.5
101.00876	3.0
101.95043	0.7
104.10751	7.9
119.01917	10.8
125.00008	66.0
137.02974	3.5
138.05487	1.7
138.10245	0.8
142.03497	2.6
143.01126	1.0
161.02974	1.6
179.04021	1.6
184.07356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53216	46.2
57.30794	43.0
57.53997	43.5
70.43942	100.0
82.58991	42.2
105.14189	51.8
140.45940	47.1
157.27728	48.4
159.84863	43.3
161.51141	44.3
162.82468	47.5
185.03227	58.8
188.57253	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09752	0.2
55.01872	0.2
55.05511	0.4
57.07067	0.3
62.71087	0.2
67.05499	0.9
69.03429	0.3
69.07056	0.4
69.19460	0.4
69.19868	1.0
73.21699	0.2
74.31310	0.2
76.16186	0.2
79.05482	0.7
81.07077	1.1
83.08630	0.3
85.06542	0.2
85.58871	0.2
86.09710	1.2
88.02207	1.9
91.05466	1.9
93.07015	0.6
95.08573	0.3
98.22732	0.5
103.05494	0.3
105.07032	4.4
109.10137	0.8
115.05450	0.6
116.06260	0.3
117.07004	3.0
119.08576	8.5
119.09425	0.5
121.06496	0.2
123.11662	0.2
128.06207	1.6
128.10689	0.3
129.07005	7.5
130.07854	1.0
131.08566	7.5
141.07010	0.4
142.07820	0.6
143.08554	1.3
144.09340	16.2
145.06488	0.7
145.10143	1.9
146.11639	0.3
147.08046	0.6
153.07030	0.3
154.07764	0.7
157.06477	0.9
157.10158	1.2
158.07268	0.6
159.06891	0.5
159.08057	2.1
159.11693	28.0
160.12009	0.3
164.67281	0.2
169.10149	1.5
171.08075	0.4
172.05275	0.3
172.08830	9.4
186.10405	0.3
187.11174	100.0
188.11516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03935	1.7
55.05514	5.9
57.07085	1.4
59.05002	1.9
67.05206	0.9
67.05501	5.3
69.07068	16.1
69.47855	4.7
69.48177	1.2
71.04993	23.3
78.46555	1.1
79.05496	16.3
81.07056	100.0
83.05000	5.4
83.08617	2.4
84.73159	1.3
85.06552	1.3
87.08086	1.4
88.02191	1.4
91.05475	1.8
93.07049	3.6
95.05010	1.7
95.08625	3.3
97.06515	5.5
97.10145	1.8
99.08113	5.3
105.07047	1.3
107.08599	12.9
109.06516	2.7
109.10150	18.2
111.08109	2.9
111.11726	7.5
121.10180	1.8
123.11707	20.0
133.10156	2.7
139.11154	8.8
151.11182	14.7
155.03404	1.1
157.12254	3.9
163.01862	1.2
164.02203	1.1
169.12267	6.7
187.13257	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	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.05504	35.3
57.07068	18.5
59.05011	21.2
61.02938	23.5
64.46614	10.1
67.05502	32.1
69.03425	16.3
69.07065	33.1
71.04993	15.5
79.05516	12.7
81.07066	100.0
83.04979	28.2
83.08624	61.6
85.06541	25.7
87.04478	24.8
88.02213	29.3
91.05502	25.0
95.08610	28.4
98.22601	19.0
105.07077	12.6
107.08610	15.2
109.10151	61.6
113.05999	22.3
123.08081	24.9
123.11716	63.1
126.80377	9.6
129.06978	13.3
131.07042	14.2
131.08580	36.5
141.12714	10.1
151.11174	13.3
159.06886	10.5
159.08087	18.6
169.12265	11.2
175.99669	10.7
186.19852	10.4
187.07552	36.9
187.11099	13.2
187.14691	10.8
190.91000	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.7
55.05510	31.4
59.02874	6.2
61.02918	18.8
61.55046	7.1
67.05503	19.0
69.07066	27.6
69.77625	25.8
71.04993	11.3
72.80219	5.8
81.07058	22.3
83.04980	78.0
83.08624	100.0
86.09689	8.5
87.04501	14.8
88.02214	29.1
91.05480	18.1
94.29804	6.2
95.08627	12.0
97.06555	11.7
104.95455	6.9
105.05513	25.0
105.07033	10.5
109.10163	39.7
113.06004	64.1
115.07568	9.7
116.06264	7.3
123.11669	19.6
127.11179	16.4
131.04956	10.7
131.08562	20.5
133.10130	12.1
141.07045	7.2
145.10092	14.7
151.11211	13.0
159.08107	9.2
159.11714	11.0
187.03793	14.9
187.07532	29.1
187.11182	14.6
187.13092	7.9
187.14821	17.3
209.47704	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	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03944	1.6
53.79964	1.4
55.01840	1.4
55.05508	9.1
56.05037	1.6
57.03439	3.1
57.07067	5.1
67.05504	62.1
69.03417	5.0
69.07067	7.8
71.04992	73.7
71.45443	1.4
79.05498	14.0
81.03449	1.7
81.07053	45.3
83.04983	7.1
83.08611	4.1
84.04504	2.1
85.02892	2.0
85.06542	100.0
88.02212	7.9
88.63664	1.3
91.05476	41.3
93.07049	15.6
95.04985	2.3
95.08598	5.5
97.06548	3.6
99.04426	1.4
105.07025	35.8
107.08587	33.2
109.06515	6.0
109.10158	58.0
113.05995	2.0
115.05473	2.6
117.07023	1.5
118.06555	5.4
119.08564	1.4
121.10157	1.6
122.01081	1.6
123.08060	3.3
123.11680	12.2
125.09618	2.1
128.97322	1.4
131.08578	5.7
133.10126	88.7
142.06526	1.9
145.10121	3.6
146.05994	7.6
151.11177	43.3
159.07008	3.7
159.11732	4.5
164.02126	1.5
169.07625	1.7
169.12234	20.6
170.06012	7.2
182.03232	2.4
187.07570	3.1
187.11194	4.2
187.12782	2.4
187.14893	5.1
188.07027	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
61.20192	0.3
70.51867	0.4
80.88310	0.3
91.05479	2.9
115.05450	5.1
117.05744	1.3
117.07013	4.3
118.06539	67.4
119.06860	0.6
132.08080	0.7
135.55838	0.3
142.06522	5.8
143.07309	12.1
144.04437	0.6
144.08084	22.6
145.06497	0.7
146.06001	100.0
147.06328	1.0
155.06049	1.0
160.07602	1.1
167.59685	0.3
170.06001	8.5
188.07066	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	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05497	0.8
56.05030	1.5
57.03426	1.2
58.06601	0.5
59.05002	2.3
60.04530	1.4
61.02663	0.4
61.02922	9.5
64.92078	0.4
69.03422	1.3
70.02948	2.2
71.04995	1.2
73.13972	0.4
75.04472	0.9
81.28051	0.4
82.06573	2.1
83.04984	4.1
84.04501	100.0
85.02899	20.6
85.03419	0.9
85.04813	0.4
86.06063	0.4
87.04469	5.9
91.24900	0.3
91.83243	0.5
100.07623	1.4
110.06036	3.1
111.04436	1.3
112.03963	0.6
126.05508	4.6
128.07072	5.7
129.05469	0.9
146.05992	0.6
146.08090	1.2
146.10454	0.5
170.08084	0.8
171.06512	0.9
188.09166	12.6
188.10840	0.6
189.16333	0.9
198.97389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05519	0.6
56.05033	1.8
57.03435	1.6
58.06588	0.5
59.04998	2.0
59.48692	0.4
60.04535	1.1
61.02928	8.7
68.75407	0.5
69.03427	0.9
69.48777	1.8
70.02955	1.9
71.04987	1.2
75.04459	0.7
82.06583	2.3
83.04987	3.8
84.04505	100.0
85.02906	17.6
85.03417	0.9
85.04831	0.5
86.06049	0.6
87.04469	6.3
90.13255	0.5
100.07616	1.2
105.07031	0.5
110.06042	3.3
111.04464	2.4
119.08584	0.5
126.05519	5.9
128.07071	6.2
129.05464	1.0
146.06021	1.1
146.08138	1.5
146.91846	0.8
147.99438	0.4
164.92882	0.8
170.08113	0.7
188.09196	12.8
188.10724	0.8
188.15015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
50.69133	0.5
51.29101	0.5
55.05513	0.8
56.05022	1.6
57.03437	1.4
57.81446	0.4
59.04995	2.2
60.04525	1.1
61.02927	8.1
69.03426	1.2
69.54472	1.4
69.54822	0.9
70.02953	2.4
71.04989	1.6
72.04500	0.6
75.04473	1.0
80.39027	0.5
82.06586	2.2
83.04987	3.8
84.04502	100.0
85.02905	19.9
85.03421	1.1
86.06060	1.2
87.04466	6.4
96.04492	0.5
97.06484	0.5
98.06010	0.7
98.23430	0.5
100.07619	1.3
110.06017	3.7
111.04451	1.2
112.03930	0.5
126.05502	5.3
126.33633	0.5
128.07071	6.9
129.05473	1.4
131.45323	0.5
132.08936	0.5
146.08127	1.9
146.91837	1.5
170.08101	0.9
171.06494	1.3
187.22533	1.0
188.09175	14.5
188.10861	0.8
188.15182	0.8
189.13837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.12235	0.3
57.07069	1.0
59.72692	0.3
70.06603	0.4
84.04499	0.6
86.06060	1.4
86.09704	100.0
91.05466	0.5
93.07034	0.4
96.68408	0.4
105.07042	0.7
114.09208	0.5
116.10715	0.6
118.06528	0.4
128.06274	0.4
128.07072	0.8
128.10718	43.6
129.06987	2.1
131.08611	0.7
132.08923	0.5
133.10120	0.7
136.52260	0.3
142.12305	0.5
145.06425	0.5
146.06046	0.5
146.08127	0.7
146.11760	19.9
146.91844	1.0
147.11732	0.4
157.06548	0.6
158.07262	0.4
158.37691	0.4
159.08141	0.4
159.53812	0.4
160.09660	0.5
161.09549	0.4
164.92903	0.4
170.11758	26.0
173.05934	0.5
174.06775	2.7
188.09225	1.2
188.11061	0.6
188.12782	2.8
188.15222	0.4
188.17586	0.6
189.09106	5.1
189.16412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55023	0.9
55.01864	0.9
55.05508	4.3
57.07076	0.8
59.04983	0.7
60.65372	0.8
65.03944	0.8
67.05506	6.7
69.03436	7.9
69.07067	5.2
69.24659	4.7
70.06593	3.7
71.04998	16.6
74.07198	1.2
77.03918	0.9
79.05494	5.9
81.07061	9.6
83.04974	1.9
83.08620	1.1
84.08126	1.2
85.06543	3.3
90.01771	0.9
91.05477	11.7
93.07052	8.6
95.04951	2.2
95.08600	11.0
96.79813	0.7
97.06564	1.4
103.05461	2.3
104.10800	0.7
105.07030	28.1
106.96565	1.8
107.08598	10.1
109.06504	1.6
109.10180	4.4
115.05449	2.1
116.18506	0.8
117.07020	2.7
119.04943	1.3
119.08585	43.2
121.06502	2.3
121.10137	3.1
124.97564	1.0
126.09104	1.0
128.06233	3.0
129.07016	4.1
130.08662	1.0
131.04878	1.2
131.08554	11.3
132.05666	0.9
133.06477	4.9
133.10133	23.6
133.11151	1.5
135.08055	4.6
135.11673	1.8
141.07010	2.4
141.12761	1.5
142.98619	0.9
143.08548	6.1
145.06435	2.8
145.10196	3.9
146.07256	1.5
146.10878	1.0
147.08054	17.4
147.11702	19.4
149.02371	1.1
149.09612	0.9
153.12749	2.7
156.09351	12.2
159.08076	11.4
159.11656	2.4
160.08847	5.6
161.06004	4.2
161.09621	9.9
161.13260	27.0
165.86191	0.9
171.07953	1.2
171.11697	14.8
171.13757	4.7
173.09583	1.2
174.06773	2.9
174.10399	27.4
189.05463	3.1
189.09103	10.5
189.12733	100.0
189.16348	18.5
190.12955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
57.03434	2.2
67.05479	2.5
67.62039	1.1
68.99785	1.1
69.03420	3.3
69.07053	1.4
69.72234	4.1
70.06583	2.8
79.05480	2.9
81.07042	3.4
83.08595	1.5
84.04483	1.6
85.02900	15.1
87.00808	2.3
91.05491	8.4
93.07021	4.4
95.08602	5.0
103.05457	1.3
105.07021	16.6
106.96567	1.2
107.08607	5.7
109.10149	2.4
115.05439	1.3
117.07008	4.8
119.08578	24.0
128.06218	5.5
129.06993	8.7
130.07756	3.4
131.08536	9.2
133.06541	2.9
133.10121	10.3
141.06946	5.2
143.08533	4.8
144.09291	1.6
145.10109	18.0
146.07280	1.5
147.08037	4.9
147.11678	26.5
155.08478	2.7
156.09344	39.8
156.10641	1.9
157.06447	3.6
159.08029	5.4
159.11687	10.0
160.08757	1.8
161.05829	1.3
161.09592	4.2
161.13234	4.0
171.10175	1.5
171.11687	50.3
174.06786	9.3
174.10394	8.6
189.09119	19.5
189.12723	100.0
189.16287	9.4
205.16025	1.2
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
51.15740	0.5
55.01871	5.2
55.05514	0.9
57.03436	7.2
57.04561	9.6
59.05005	1.2
60.05662	0.9
60.08166	5.6
64.89529	0.5
68.05021	0.7
69.54324	2.3
70.06593	100.0
71.01360	3.4
71.05003	2.8
71.06905	0.6
72.08155	12.9
73.02914	1.9
74.07207	34.2
74.60383	0.5
75.04501	0.6
78.75779	0.6
83.01344	1.1
83.08598	0.7
84.04514	0.6
84.08147	15.5
85.02897	1.1
85.25868	0.5
86.06063	1.1
87.04476	4.5
88.07656	1.3
89.02393	1.1
95.01354	1.4
100.07629	1.2
100.98231	0.6
101.02383	9.7
103.03973	0.6
108.08106	1.0
111.00843	0.7
112.08757	2.1
113.02404	0.7
115.03931	8.4
115.08682	7.7
115.09426	0.9
116.07095	41.6
125.07919	1.6
126.09191	5.7
126.10153	1.1
129.01840	2.3
130.05002	3.1
130.08633	6.7
131.03378	0.7
133.09738	4.1
137.53423	0.6
143.03427	0.8
143.09018	3.7
144.10222	2.4
144.11308	19.6
157.01335	7.7
158.09254	7.6
171.12384	1.3
172.09636	1.9
172.10861	5.9
189.13483	46.4
189.16104	2.3
190.10765	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	189.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89146	3.3
53.03949	3.3
55.05510	20.6
57.03433	6.0
57.07071	10.5
58.80666	3.3
59.05004	6.0
67.05507	23.1
67.05812	3.9
68.79668	3.3
69.03436	3.4
69.06711	6.8
69.07068	100.0
69.31365	16.7
71.04994	11.4
79.05497	15.6
80.55708	3.0
81.07059	57.8
83.04980	4.9
83.08620	21.4
85.02905	8.4
86.09701	4.2
91.05467	19.1
93.07047	90.6
95.08605	78.7
97.06541	20.2
105.07030	38.2
106.96585	5.6
107.08592	98.4
109.10164	64.9
115.05476	3.5
116.77864	3.0
119.04980	9.2
119.08581	40.9
121.06496	3.9
121.10155	4.5
123.11714	21.0
124.97629	7.2
128.06210	12.7
128.07094	4.3
129.06992	23.0
131.08586	9.3
133.06477	4.1
133.10156	34.5
135.11696	86.9
143.08574	6.6
145.10104	9.6
146.07275	5.0
147.08073	5.1
147.11719	21.5
153.12747	40.7
156.09367	12.0
157.06509	13.7
158.07266	4.0
159.08067	8.1
159.11739	5.2
160.08891	4.2
161.05986	5.6
161.09653	14.6
161.13249	14.4
162.05476	4.6
171.08118	3.8
171.11682	18.6
171.13751	5.7
174.06744	39.8
174.10439	13.2
189.05464	3.4
189.09087	71.9
189.12752	64.4
189.16325	25.7
190.05028	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	190.0499
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
61.70354	0.2
70.71008	0.2
70.71339	0.2
71.60245	0.2
89.03909	0.7
91.05479	0.4
97.88644	0.2
116.04962	2.5
121.06490	0.9
134.06042	0.3
144.04413	2.8
145.06419	0.2
147.04417	0.4
162.05490	100.0
163.05818	1.0
163.07436	0.4
164.05902	0.2
190.04979	45.2
191.05470	0.5
191.07057	0.2
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
50.99069	0.8
51.57265	0.4
55.05515	0.5
57.07076	18.0
59.99111	2.9
62.99083	0.6
70.20488	0.9
74.07146	0.3
78.00152	29.8
84.08126	0.6
86.09194	0.4
86.09710	7.0
87.04435	0.4
92.01685	0.7
114.91647	0.4
116.05276	0.9
134.06346	38.3
148.07925	3.1
149.01266	0.5
149.02286	1.8
150.20335	0.4
190.12596	100.0
191.12874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0339
Annotation	Ayapin
Peak:m/z	Relative Intensity
51.02366	0.4
53.03935	1.1
55.05504	0.4
64.03156	0.9
65.03931	0.6
67.01844	0.3
68.13284	0.3
70.47337	0.5
75.02377	0.4
77.03928	2.8
79.05497	4.7
81.03408	0.3
89.03928	1.8
91.05479	0.9
92.02618	4.0
95.01352	1.3
95.04971	5.4
103.01816	0.5
103.05482	0.5
105.03400	2.7
105.04494	2.1
107.01272	0.3
107.04951	13.1
107.08575	0.4
109.02867	3.9
111.00784	0.6
111.04430	1.1
117.03366	0.7
117.28525	0.2
119.04935	0.5
119.08564	0.3
120.02087	10.0
123.00810	0.4
123.04406	0.8
124.01562	0.5
125.02380	0.4
131.01286	2.0
131.04933	2.5
131.08537	0.3
133.02838	3.3
133.10139	0.4
135.00845	0.3
135.04416	12.4
135.11725	0.5
137.02380	0.3
139.03909	0.6
143.08624	0.3
145.02818	0.7
145.03989	0.7
145.06526	0.7
145.10086	0.4
146.06003	1.3
147.04439	0.3
148.01544	4.7
149.01198	0.4
149.02312	0.3
149.05818	0.3
151.00291	0.3
152.01042	2.2
159.04436	3.7
163.03900	26.1
165.69147	0.3
166.02608	1.5
167.17574	0.2
173.13287	0.4
176.01051	5.4
176.04640	1.6
181.04953	1.3
191.03384	100.0
191.14290	0.5
192.03871	1.2
194.02110	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	191.0551
Annotation	2,4-Dihydroxyhept-2-enedioate
Peak:m/z	Relative Intensity
53.03941	1.5
55.01871	8.1
55.05512	3.2
56.96284	2.0
56.96566	33.6
57.03438	6.4
58.06608	1.8
59.05001	6.4
60.08153	1.1
61.02916	1.5
64.91256	1.1
67.01883	2.0
68.02648	6.6
68.99786	4.4
69.03428	17.2
70.06597	5.9
71.01357	4.4
71.04992	31.0
71.06928	3.6
72.08146	3.5
72.93797	1.1
73.02925	5.2
73.06560	2.5
74.03701	3.1
74.06061	1.4
74.97620	2.6
75.04460	2.3
79.01846	5.4
81.03399	2.1
81.07059	1.7
82.06583	2.5
83.01363	5.3
83.04965	7.1
84.02122	27.7
84.08136	1.9
85.02456	1.5
85.02907	10.2
85.06527	1.7
85.70730	1.0
86.97601	2.1
87.04478	5.4
89.06050	4.3
93.07015	1.0
94.06594	1.0
95.01326	100.0
96.02104	6.3
97.02888	7.6
98.06055	1.4
98.97579	13.9
99.04455	57.8
100.99169	5.8
101.02364	7.6
103.03953	2.7
107.04974	1.3
109.02954	1.4
109.06496	1.1
111.04446	23.6
112.99149	4.1
113.02357	8.9
114.03153	4.6
115.03951	2.2
116.01052	1.6
116.98603	5.9
117.07510	1.1
119.00198	2.8
119.01974	1.4
119.08620	1.0
123.00759	1.6
124.11242	2.0
125.02351	80.8
127.03909	14.9
128.01093	2.6
128.10782	1.1
129.01816	7.0
129.05475	1.5
131.00172	16.7
131.23279	1.1
131.97459	1.7
132.95892	2.0
134.99649	2.0
136.11270	1.6
141.01826	16.1
143.03397	45.0
144.10204	1.6
144.13832	2.1
145.03972	4.8
145.04994	1.1
149.01224	49.9
149.06058	1.7
149.96078	2.0
150.96971	2.6
154.12265	9.9
155.03384	26.9
155.12605	2.1
163.03932	2.8
167.02278	14.3
167.97246	1.5
172.02769	1.6
172.13348	4.7
173.04471	1.8
179.49197	1.0
190.14294	4.6
191.02238	4.9
191.03641	2.1
191.05785	1.2
191.11812	2.7
191.14455	2.3
209.03358	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	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
54.60099	1.3
55.05492	2.2
56.96554	4.2
57.07043	1.2
59.66481	1.1
65.03928	3.7
67.05503	12.0
69.07070	1.7
79.05484	3.4
81.07074	2.3
85.02905	1.8
88.23668	1.2
91.05480	14.5
93.07010	4.2
95.04952	3.3
95.08581	3.1
98.97565	1.6
103.05443	3.8
105.07014	5.9
107.04943	11.4
107.08603	1.4
109.06490	3.3
109.10145	1.2
115.05406	3.5
116.06190	4.1
117.07020	1.8
119.04874	2.1
119.08553	1.3
120.08076	1.7
121.06505	39.8
121.10146	2.5
122.30179	1.2
123.04399	5.1
129.06989	4.1
130.07791	1.6
131.00125	1.3
131.04926	2.2
131.08557	23.9
133.06413	2.8
134.03522	1.3
134.07234	1.9
135.04411	2.4
135.08066	8.7
135.11714	1.8
137.04944	2.3
137.05968	41.3
141.06964	2.4
144.05690	2.6
145.06487	6.6
147.04402	16.6
148.05168	2.5
149.01198	5.5
149.05988	7.3
151.07484	2.1
158.07259	5.8
159.08032	9.9
160.08810	5.2
161.05971	20.2
161.09566	1.7
162.05415	1.6
162.06769	31.4
163.07549	14.3
163.11169	13.4
173.09509	1.9
175.07559	7.5
176.08334	33.3
184.55646	1.3
189.09093	2.1
191.10634	100.0
191.17915	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	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03951	0.5
55.01862	1.4
55.05498	1.2
56.96576	2.4
57.03427	0.6
57.07064	1.0
59.05000	0.7
65.03957	0.7
67.05502	2.7
68.99788	6.7
69.03404	0.7
69.07053	0.9
69.14297	2.7
70.06568	0.9
71.01358	0.8
79.05479	3.7
81.07046	1.8
83.01349	0.4
83.86131	0.4
85.02886	0.6
88.07635	0.9
91.05476	7.8
93.07030	3.7
95.04961	1.3
95.08588	3.2
98.23585	0.5
98.97581	1.4
99.04411	0.5
103.05443	1.9
105.04493	0.5
105.07027	4.5
107.04952	6.0
107.08580	1.8
109.06531	1.1
109.10136	0.8
115.05471	2.2
116.06207	0.9
116.98558	0.8
117.07024	5.6
119.04923	1.7
119.08540	1.2
120.08089	0.5
121.06506	18.5
121.10175	1.2
123.04440	3.1
123.08033	0.7
126.03168	0.5
129.06969	1.5
129.25020	0.5
130.07686	0.7
131.00160	1.4
131.04977	2.2
131.08565	12.2
133.06509	1.0
133.10141	1.4
135.04416	3.4
135.08054	8.4
135.11697	1.1
137.05975	12.0
141.07002	0.6
143.08531	0.6
144.05707	1.3
145.05475	0.8
145.06509	9.3
145.10114	2.1
147.04399	10.2
147.07996	0.7
147.11650	0.6
148.05208	1.0
148.08752	0.9
149.01224	6.1
149.05980	14.3
149.07190	0.7
149.09608	0.8
151.07584	0.9
155.05974	0.6
158.07225	1.3
159.08047	3.9
160.08847	3.7
161.05984	5.6
161.09688	0.6
162.06766	10.0
163.03902	10.1
163.07547	14.6
163.11183	7.8
167.02299	1.2
173.05981	4.2
173.09628	1.2
173.13240	0.8
175.07520	1.8
176.08324	14.1
189.09044	1.3
190.18030	3.9
191.07040	34.9
191.10652	100.0
191.14128	3.2
191.18242	2.5
192.07407	0.5
192.11003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
55.05511	2.1
56.96556	0.4
57.03442	0.5
57.07076	0.9
61.01733	0.4
67.05506	2.7
68.70076	0.4
69.03423	3.8
69.07072	2.9
69.25937	2.2
73.14919	0.4
79.05492	2.9
81.07065	2.9
83.04987	1.0
83.08656	0.5
91.05473	5.4
92.51452	0.4
93.07027	3.1
95.04948	0.9
95.08588	2.1
96.56802	0.4
98.23450	0.8
102.21614	0.4
103.05463	0.7
105.07033	6.6
107.04950	2.7
107.08592	8.5
109.06512	1.4
109.10159	3.7
115.05440	1.0
116.06219	1.3
117.07001	0.7
118.07845	0.6
119.08571	1.6
121.06506	13.6
121.10133	7.1
122.07297	1.2
123.04445	1.8
123.08077	0.9
126.93063	0.4
129.07057	1.0
130.07730	0.4
131.00172	0.6
131.04893	0.6
131.08562	11.0
133.06476	1.0
133.10127	57.2
134.07306	0.6
134.10530	0.7
135.04402	1.3
135.08061	5.4
135.11664	2.5
137.05965	9.0
137.09612	8.5
143.08572	0.7
143.48393	0.4
144.05707	1.1
145.06438	2.0
145.10133	1.6
147.04398	5.2
147.11688	0.8
148.08838	0.9
149.01224	0.6
149.06021	2.3
149.09631	1.0
149.13251	5.5
151.07492	0.5
158.07257	1.2
158.10931	1.0
159.08069	3.8
160.08855	3.0
161.05980	4.7
161.09579	0.9
162.06767	10.3
163.07524	7.2
163.09885	0.8
163.11169	6.9
163.14864	0.7
169.07593	0.6
173.09613	1.2
173.13275	5.1
175.07553	2.0
176.08325	14.9
176.29140	0.5
189.09134	0.7
191.10660	100.0
191.14270	9.8
192.10957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
55.05493	1.3
56.96555	0.7
57.07059	0.7
66.37045	0.4
67.05489	1.5
68.99780	0.5
69.07050	1.7
69.45456	0.9
69.45861	1.4
77.03899	0.5
79.05479	1.2
81.07049	1.4
83.08595	0.5
85.11340	0.4
88.73272	0.4
90.49165	0.3
91.05470	4.1
93.07049	2.7
95.04938	0.4
95.08600	2.0
97.10124	0.4
98.22720	0.4
103.05441	1.1
103.65288	0.4
105.07034	2.0
105.75726	0.4
107.04958	3.0
107.08608	2.6
109.06493	1.1
109.10164	1.0
112.99117	0.4
115.05440	1.1
116.06239	0.9
119.04916	0.5
121.06502	14.0
121.10142	2.3
123.04415	1.3
129.07010	0.7
130.07863	1.0
131.00157	0.5
131.04825	0.7
131.08566	8.8
133.06529	1.0
133.10092	1.0
135.04411	1.2
135.08032	3.2
135.11725	2.1
137.05963	8.7
141.07054	0.7
144.05696	0.6
145.06477	1.9
145.10149	0.7
147.04399	5.9
147.07970	0.6
147.11656	1.2
148.08784	0.7
149.01154	0.8
149.05957	2.6
149.09586	0.8
149.13257	0.8
151.07487	0.6
158.07239	1.3
159.08057	4.2
160.08833	2.6
161.05991	5.9
161.09665	0.6
162.06764	11.6
163.07544	6.8
163.11172	6.4
163.12433	0.6
173.09566	1.0
173.13229	0.8
174.06674	0.6
175.07564	1.8
176.08311	13.5
185.81876	0.4
189.09053	0.9
191.10655	100.0
191.14235	7.2
191.17813	2.1
192.10980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
52.59602	0.3
53.03951	0.3
53.90215	0.3
55.01870	3.5
55.05494	0.9
56.96564	0.8
57.07074	0.7
66.29057	0.4
69.06712	0.6
69.07066	12.8
69.44498	1.6
79.05491	1.6
79.44904	0.3
81.07050	1.5
83.04956	1.3
83.08596	0.5
84.40048	0.4
91.05476	3.5
93.07046	10.3
95.04958	1.0
95.08626	2.6
97.06525	1.6
97.99652	0.4
105.07032	1.8
107.04932	0.5
107.08593	8.3
109.06514	0.9
109.10134	1.5
117.06998	0.8
119.08575	2.6
121.06505	15.7
121.10138	6.2
123.08087	1.0
127.07453	0.5
129.07047	0.4
131.08575	3.6
133.10136	6.0
135.08061	6.9
135.11679	3.2
137.06004	0.4
137.09645	0.9
143.08549	0.7
144.09367	0.4
145.10126	1.8
147.11682	19.9
149.01198	1.0
149.09608	2.6
149.13261	6.2
158.10933	0.8
161.09604	6.1
163.11134	0.4
163.14861	1.0
167.02296	0.5
173.13269	6.6
176.11978	2.2
191.02348	0.5
191.10698	2.9
191.14301	100.0
192.14560	0.9
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	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05507	0.9
61.13758	0.4
69.07071	10.7
69.24811	2.0
73.55968	0.4
77.46008	0.5
79.05489	1.3
81.07044	1.7
83.04984	0.9
91.05482	2.7
93.07041	9.5
95.04955	0.6
95.08601	1.8
97.06519	1.7
98.22618	0.5
105.04482	0.6
105.07057	2.6
107.08603	7.8
109.06517	0.7
109.10155	1.0
117.07019	1.4
119.08562	1.9
121.06509	13.5
121.10140	5.6
123.08061	2.6
131.08577	2.8
133.10149	4.4
135.08066	5.7
135.11685	1.9
137.09648	1.0
145.10146	2.6
147.11688	19.4
149.09666	2.5
149.13272	5.4
158.10895	1.1
161.09630	5.1
163.11169	1.3
163.14751	0.9
173.13264	7.4
176.11964	1.6
191.14307	100.0
192.14684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.02166	0.9
53.03944	1.0
55.05510	5.2
56.96569	5.7
57.03426	2.3
57.07070	1.8
59.05005	2.4
65.03924	1.0
67.05500	7.5
68.99783	4.1
69.03427	2.0
69.07060	11.2
70.68994	1.4
71.04980	2.6
73.95791	0.9
77.31069	0.8
79.05492	16.8
81.07062	8.1
83.04964	3.0
83.08613	3.1
85.06557	1.6
91.05479	23.2
93.07041	20.8
95.04961	3.4
95.08604	9.7
97.06513	5.1
98.97567	1.8
103.05463	1.7
105.06354	1.7
105.07031	31.0
107.04947	3.3
107.08590	100.0
109.06519	4.7
109.10145	5.8
111.08093	1.4
112.99133	1.1
114.93451	1.0
115.05437	2.0
116.06200	1.4
116.98582	0.9
117.07018	8.1
119.04932	1.1
119.06078	1.6
119.08574	38.2
121.06496	9.1
121.10138	32.2
123.08080	2.8
129.06987	3.5
130.07782	1.2
131.00160	3.8
131.04892	2.4
131.08563	39.1
133.10124	59.1
135.04385	1.2
135.08041	11.1
135.11688	14.6
137.05949	2.8
139.21794	1.0
143.08545	5.3
144.09325	2.6
145.06485	3.9
145.10130	21.5
147.04373	4.2
147.11668	11.1
149.01193	11.2
149.05962	6.0
149.09605	4.1
149.13255	12.8
152.67873	1.1
158.10881	11.2
159.08096	1.3
161.06006	1.2
162.06776	2.6
163.03883	5.9
163.07523	6.6
163.11176	3.3
163.14819	17.1
167.02260	3.0
173.06073	2.3
173.13255	56.0
176.08344	2.8
176.11919	1.0
191.02147	1.4
191.07031	18.0
191.10628	29.0
191.14296	97.1
192.14761	1.2
204.22261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03951	1.6
55.05511	14.3
56.96557	3.8
57.03432	1.3
57.07049	1.8
57.22345	1.0
59.04989	3.4
67.05504	5.5
69.03418	2.5
69.07070	9.2
71.04986	2.4
73.06546	4.9
79.05109	1.2
79.05483	7.6
81.07057	12.4
83.04974	2.2
83.08620	13.3
85.06534	2.1
91.05482	19.6
93.07050	13.7
95.04955	4.2
95.08609	12.4
97.06519	7.3
97.10154	1.1
98.97564	1.7
101.09678	2.2
103.05468	3.8
105.06342	2.1
105.07031	31.8
107.04932	3.0
107.08597	22.6
109.06525	6.2
109.10140	6.7
111.08061	1.7
115.05404	1.6
116.06236	1.6
117.07019	5.2
118.06515	1.4
118.07813	1.4
119.08585	14.3
121.06505	6.0
121.10150	16.2
123.08067	5.5
123.11674	1.3
123.46892	1.2
129.06960	5.6
130.07773	1.5
131.00160	1.6
131.04881	3.3
131.08568	52.4
133.10127	100.0
135.04507	1.1
135.08037	11.5
135.11681	8.5
136.69685	1.1
137.05956	7.1
141.06889	1.7
143.08554	4.5
144.05757	1.7
144.09384	2.5
145.06447	1.3
145.10112	13.3
147.08028	1.3
147.11649	8.3
148.08937	1.5
149.01231	6.0
149.09610	5.7
149.13254	10.9
158.10942	7.9
159.08055	22.6
161.05907	1.6
161.13318	1.3
163.03867	1.4
163.07579	5.3
163.11261	2.5
163.14868	3.8
167.02238	2.5
169.07581	1.2
173.13260	46.9
176.04622	1.9
176.08348	2.6
191.06847	8.4
191.10641	34.8
191.14299	51.2
191.17938	3.4
192.14592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.05509	3.3
57.07067	1.0
67.05507	2.2
69.03075	0.6
69.03433	7.5
69.07078	3.7
69.07417	0.8
69.21166	2.6
79.05486	5.3
81.07050	4.9
83.04964	2.1
83.08604	0.5
86.79215	0.4
88.43282	0.4
91.05471	4.1
93.07040	4.3
95.04961	0.6
95.08584	2.2
97.67730	0.6
101.03996	0.4
103.05415	0.5
105.07025	9.2
107.04962	3.2
107.08593	15.5
109.06514	1.3
109.10164	6.3
115.05437	1.3
117.07017	1.4
118.07799	1.0
119.08589	3.3
121.06455	1.1
121.10144	11.2
122.07280	3.1
123.08067	1.4
131.08577	4.6
133.10126	100.0
134.10468	0.5
135.08058	2.5
135.11668	1.7
137.09607	15.6
143.08542	1.4
144.09303	0.6
145.10132	2.7
147.11691	1.8
149.09633	0.8
149.13245	11.1
158.10954	3.2
163.14836	1.7
173.13239	8.7
188.19063	0.5
191.14299	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.37566	0.2
53.03934	0.3
55.05511	2.8
57.03429	0.8
57.07070	0.8
65.03923	0.3
66.01007	0.2
66.55354	0.2
67.05505	2.3
69.03431	8.3
69.07070	2.3
69.53773	1.0
71.04991	0.4
75.74332	0.2
77.03934	0.4
79.05494	3.9
80.60776	0.2
81.07055	4.6
83.05000	1.2
83.08604	0.4
85.06548	0.2
91.05476	4.1
93.07041	3.8
95.04977	0.5
95.08621	1.7
97.06529	0.3
103.05469	0.4
105.06350	0.5
105.07030	8.3
107.04978	1.9
107.08594	15.2
109.06563	1.3
109.10154	4.9
115.05463	0.9
117.07038	0.9
118.07806	0.7
119.06075	0.3
119.08582	3.3
121.06484	1.0
121.10145	9.8
122.07291	3.0
123.08054	0.8
129.06995	0.5
131.08566	4.2
133.10127	100.0
134.10510	1.1
135.08049	3.2
135.11685	2.5
137.09613	20.7
143.08569	1.0
144.09328	0.5
145.10103	1.9
145.57484	0.3
147.11693	2.1
149.09616	0.9
149.13249	8.4
158.10904	2.4
163.14792	2.1
173.13257	10.3
191.14307	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01871	3.5
55.05505	1.7
56.96559	1.6
57.07074	0.6
59.05000	0.4
67.05494	1.5
69.03427	1.0
69.06717	0.8
69.07071	14.7
69.11426	3.1
69.34765	0.4
76.19711	0.5
79.05485	2.1
80.20255	0.5
81.07060	2.4
83.04992	1.1
83.08622	1.1
91.05492	4.1
93.07047	11.8
95.04952	0.6
95.08607	3.1
97.06530	1.6
98.97567	0.6
103.05472	2.1
105.07064	2.4
107.04942	0.6
107.08595	9.9
107.09263	0.8
109.06535	0.7
109.10161	1.8
115.05400	0.5
117.07013	1.3
118.04140	0.7
119.08568	2.1
121.06509	17.2
121.10147	9.5
123.08055	1.6
123.11708	0.8
131.00165	0.7
131.04948	1.0
131.08569	3.4
133.10135	5.4
135.07089	0.7
135.08064	6.2
135.11699	4.2
137.09625	0.9
143.08556	0.9
145.10124	2.3
147.11690	22.9
147.12880	1.1
148.05168	1.2
149.01213	2.4
149.09618	3.5
149.13268	7.8
158.10909	1.0
161.09612	5.2
163.07542	1.8
163.11163	1.4
163.14835	1.6
167.02301	0.9
173.13274	8.5
176.04552	0.5
176.12022	2.5
191.06949	1.9
191.14311	100.0
192.14658	1.5
192.19426	0.4
213.02634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05513	16.6
56.96572	16.4
57.07059	3.8
59.04983	3.5
67.05502	12.9
69.07066	41.4
70.37714	9.9
73.17211	3.5
79.05483	12.6
80.45854	3.5
81.07050	21.6
83.08645	16.6
91.05477	7.2
93.07039	39.1
95.08599	77.2
97.10168	7.6
98.22730	4.3
98.97578	5.2
105.07030	8.7
107.08580	46.6
109.10153	45.4
120.08053	5.5
121.06508	4.2
121.10136	64.1
123.11711	6.5
131.00107	5.3
133.10132	5.0
135.11678	57.7
137.05913	4.5
137.46356	3.5
149.01266	18.1
149.13297	20.6
157.94728	4.3
167.02281	12.2
174.05475	4.8
181.14970	3.5
191.06960	5.2
191.10420	8.9
191.11803	13.4
191.14310	10.8
191.17926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1383
Annotation	DEET
Peak:m/z	Relative Intensity
52.81231	0.2
57.03431	0.7
58.45714	0.2
63.16679	0.3
65.03951	0.9
65.49091	0.2
67.05501	0.6
69.69984	1.0
69.70310	0.3
72.04509	6.3
72.08163	0.3
73.02840	0.2
74.69116	0.2
74.74467	0.2
80.22141	0.2
81.03410	0.4
85.40443	0.3
91.05474	7.2
93.07053	0.7
95.04971	0.6
98.22765	0.6
100.07611	5.8
105.07021	0.3
109.05769	0.3
109.06517	6.9
119.04934	100.0
119.05972	4.0
120.05264	1.2
121.06510	0.4
131.57727	0.2
133.10147	0.3
141.20027	0.3
145.84833	0.3
175.11116	0.4
177.59865	0.3
192.13814	50.8
193.14189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.82634	0.3
53.00327	0.3
53.03942	0.8
55.01878	0.6
58.56964	0.4
65.03943	0.5
68.99795	0.6
69.03406	0.5
69.47531	0.5
69.47924	0.7
77.03944	0.7
78.59328	0.3
79.05487	2.2
81.07063	5.6
83.01342	3.1
91.05489	6.3
93.07035	1.2
95.04986	2.0
103.05470	1.9
105.04526	0.6
105.07005	0.5
107.04987	0.5
108.48509	0.3
109.06528	9.5
116.88738	0.4
119.04967	2.0
119.08591	0.5
119.79167	0.3
121.06512	25.9
129.07014	0.5
131.04944	1.1
132.95714	0.4
133.06520	0.6
137.05986	20.6
147.04381	1.5
149.05997	6.6
150.03102	0.5
150.96884	0.4
151.03937	0.4
155.07056	4.5
161.05960	0.4
165.05486	42.4
166.05852	0.5
175.03934	5.5
175.07568	1.1
178.02571	0.9
193.04976	100.0
194.05307	0.7
199.73085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03937	0.8
53.89511	0.4
55.01871	1.6
59.04992	1.3
65.03943	1.2
67.05495	1.2
68.61779	0.4
68.99783	0.5
69.03424	0.4
77.03918	1.4
79.05485	3.2
81.07047	4.5
83.01327	0.8
89.32211	0.4
91.05476	17.0
93.07040	1.8
94.04172	0.8
95.04961	3.7
103.05459	4.3
105.03369	1.4
105.04520	1.6
105.07018	6.3
106.06541	1.5
107.04990	1.9
107.06882	2.3
107.08559	0.4
109.06506	10.5
115.05434	1.9
119.04948	8.8
119.08575	1.3
121.06498	100.0
122.06837	1.1
123.04418	4.5
126.92019	0.3
129.06987	0.8
131.04921	25.1
133.06493	6.0
133.10150	1.1
137.05975	7.1
137.09618	0.5
143.06035	0.5
147.04399	27.5
147.08015	2.0
147.11681	0.5
149.05971	47.7
150.03101	0.5
150.06282	0.4
155.07036	1.0
159.05527	11.1
159.06854	0.6
160.05223	1.0
161.05972	10.0
163.03888	1.2
165.05470	32.4
165.09122	1.6
175.03894	36.6
175.07417	2.8
175.11186	0.5
175.14798	0.7
178.02547	2.0
193.04956	86.1
193.08577	13.0
193.15840	0.8
194.05368	1.0
206.15059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	4-METHYLDAPHNETIN
Peak:m/z	Relative Intensity
51.02375	0.4
53.03937	0.8
53.89511	0.4
55.01871	1.6
59.04992	1.3
65.03943	1.2
67.05495	1.2
68.61779	0.4
68.99783	0.5
69.03424	0.4
77.03918	1.4
79.05485	3.2
81.07047	4.5
83.01327	0.8
89.32211	0.4
91.05476	17.0
93.07040	1.8
94.04172	0.8
95.04961	3.7
103.05459	4.3
105.03369	1.4
105.04520	1.6
105.07018	6.3
106.06541	1.5
107.04990	1.9
107.06882	2.3
107.08559	0.4
109.06506	10.5
115.05434	1.9
119.04948	8.8
119.08575	1.3
121.06498	100.0
122.06837	1.1
123.04418	4.5
126.92019	0.3
129.06987	0.8
131.04921	25.1
133.06493	6.0
133.10150	1.1
137.05975	7.1
137.09618	0.5
143.06035	0.5
147.04399	27.5
147.08015	2.0
147.11681	0.5
149.05971	47.7
150.03101	0.5
150.06282	0.4
155.07036	1.0
159.05527	11.1
159.06854	0.6
160.05223	1.0
161.05972	10.0
163.03888	1.2
165.05470	32.4
165.09122	1.6
175.03894	36.6
175.07417	2.8
175.11186	0.5
175.14798	0.7
178.02547	2.0
193.04956	86.1
193.08577	13.0
193.15840	0.8
194.05368	1.0
206.15059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
52.84246	0.7
53.03936	0.9
55.01865	4.4
69.44059	1.8
69.44457	1.1
77.03918	1.5
79.05493	11.2
84.96060	0.7
90.04722	1.2
91.05489	2.2
92.58849	0.6
95.04968	2.4
100.79807	0.6
103.05470	14.7
104.06212	0.8
105.07030	92.6
107.04955	0.6
113.46661	0.6
115.05453	21.5
118.04164	10.3
119.04915	0.7
131.04921	3.4
132.05716	1.0
133.06490	85.9
134.06813	1.1
135.11778	0.6
143.04971	1.2
143.06013	8.3
147.08029	0.7
149.05969	0.8
150.27898	0.6
161.05978	100.0
162.06355	1.3
175.14917	0.7
177.29340	0.6
178.06136	0.8
193.04932	1.7
193.08598	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	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03949	0.5
54.72970	0.3
55.01876	2.8
55.05519	0.4
56.54316	0.3
57.64574	0.4
59.05000	2.8
69.07051	0.8
71.44971	0.4
77.03918	0.5
79.05494	10.5
81.07057	1.2
89.03889	0.6
90.04689	1.3
91.05482	4.3
93.57563	0.3
95.04983	2.3
102.04674	0.5
103.05472	11.3
104.06234	0.8
105.07028	82.2
106.07366	1.1
107.04945	0.8
107.06838	0.5
107.08572	0.4
109.06530	1.6
115.05454	19.4
118.04160	8.6
119.04939	1.1
119.08575	1.0
121.06501	0.9
123.04431	5.0
125.05994	0.3
131.04941	2.9
132.05687	0.9
133.06488	80.3
133.10062	1.5
134.06804	0.7
135.08145	0.5
137.05975	55.7
138.06331	0.5
143.04906	1.2
143.06024	7.5
146.99870	0.3
147.04405	1.1
147.08018	1.0
149.05952	4.9
150.68904	0.4
151.03899	1.1
151.07518	0.7
161.05972	100.0
162.06328	0.5
165.05569	0.5
165.09093	1.8
167.08180	0.3
175.03883	0.3
175.07521	1.0
178.02606	2.5
178.06189	0.6
193.04942	5.2
193.06680	0.6
193.08597	17.4
193.12227	18.2
194.15352	0.8
199.10330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01884	2.8
59.04981	1.3
59.56880	0.7
69.77872	2.4
77.03938	1.4
78.01749	0.5
79.05489	7.6
81.07061	0.9
90.04718	1.7
91.05482	3.2
95.04984	1.7
96.59061	0.6
98.23531	0.6
103.05463	10.9
104.06247	0.7
105.07023	81.9
107.04972	0.8
109.06517	1.1
115.05463	19.5
118.04151	8.9
121.06490	6.6
123.04427	4.3
131.04915	4.9
132.05722	1.1
133.06482	75.2
137.05984	1.5
143.04909	1.5
143.06009	7.2
147.04411	2.0
149.05978	8.3
159.05594	0.8
161.05966	100.0
162.06389	0.8
165.05492	2.4
165.09062	1.8
175.03806	3.4
175.07506	0.7
178.06316	0.8
193.04977	6.0
193.08586	17.8
193.12292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Sedanonic acid lactone
Peak:m/z	Relative Intensity
55.98738	0.4
57.00558	0.4
66.18313	0.4
67.05515	0.4
69.07063	9.6
69.62299	1.1
69.62687	0.8
73.17294	0.4
77.03946	0.4
79.05495	2.8
79.73256	0.4
81.07050	1.5
91.05479	0.9
94.04210	0.5
95.04977	1.0
99.08104	0.6
105.07038	0.6
107.04945	6.3
109.06520	3.9
110.03658	0.5
125.05996	3.8
135.05547	0.9
137.05972	100.0
138.06328	1.0
151.07533	1.8
171.68842	0.5
193.12234	24.9
198.93135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03939	4.3
54.13075	1.2
54.49439	1.1
55.01865	3.8
55.05508	8.0
55.47850	1.2
57.03433	100.0
59.04992	1.7
65.03930	2.4
67.05500	24.8
69.03434	3.2
69.07053	4.1
69.31042	2.8
69.31431	2.6
71.04974	1.1
72.16090	1.3
75.04488	2.6
77.03938	3.2
78.47603	1.3
79.05487	18.1
80.96152	1.4
81.03413	57.7
81.07042	12.0
83.04987	2.7
83.08623	6.3
85.06554	6.1
91.05473	60.3
93.07036	62.6
95.04963	35.3
95.05533	2.7
95.08608	6.5
97.06519	3.1
103.05460	2.9
103.09986	1.1
104.06235	1.7
105.04523	5.5
105.07020	40.5
107.04947	8.7
107.08582	9.0
109.06488	6.6
109.10142	10.9
111.08099	3.6
115.05434	2.7
117.07009	11.1
117.94964	1.3
119.08570	81.4
121.06498	60.5
121.10139	4.0
123.08089	1.9
128.06146	1.4
129.06998	8.0
131.04872	2.5
131.08574	4.1
132.05699	2.1
133.06497	8.2
133.10118	30.7
133.35229	1.3
135.08060	6.1
137.09610	28.7
141.08264	1.2
142.07735	7.1
145.06494	4.5
145.10150	2.2
146.07269	11.0
147.08034	34.6
147.11673	42.7
149.09636	3.0
149.13310	1.4
152.63487	1.6
157.10089	10.5
160.08832	6.7
175.11172	46.9
176.11375	1.3
193.12233	19.0
193.38954	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03947	4.4
54.47070	0.5
54.56855	0.5
55.01874	2.5
55.05511	8.5
57.03439	4.1
58.27369	0.5
59.04990	1.1
65.03940	2.5
65.07125	0.6
67.05505	25.4
69.03439	3.0
69.07063	4.0
70.11147	1.0
71.01357	0.7
71.04991	1.7
77.03921	0.7
78.62878	0.5
79.05494	17.9
81.03416	100.0
81.07054	12.6
83.04980	4.2
83.08621	10.8
85.02904	0.6
85.06568	0.5
91.05483	19.9
91.06054	1.0
93.07037	9.0
95.04968	42.5
95.08598	4.5
97.02897	2.3
97.06524	2.3
97.10154	1.1
99.04472	1.3
99.08080	1.0
103.05473	1.7
105.03445	0.6
105.04512	1.1
105.07025	20.2
107.04955	9.6
107.08597	6.1
109.06528	5.2
109.10146	2.0
110.63050	0.6
111.04453	1.6
111.08086	2.6
115.05422	2.6
116.06286	0.7
117.07017	2.9
119.04939	0.7
119.08583	14.3
121.06525	2.8
121.10156	4.1
123.04442	1.0
123.08045	1.7
128.06232	1.0
129.07001	7.3
131.08563	7.3
133.06500	8.2
133.10127	15.2
135.08028	1.2
135.11710	1.5
137.05978	20.3
137.09634	2.8
142.07790	2.5
145.10086	1.0
147.08054	5.4
147.11667	9.2
149.09624	4.3
151.07506	0.8
157.10138	6.0
161.05965	5.5
165.06944	0.6
165.12715	1.4
175.11194	7.6
175.14818	2.2
178.02646	0.8
193.04913	1.4
193.08607	4.4
193.12239	23.9
193.15912	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02366	1.6
53.03944	5.1
53.26360	1.0
55.01863	6.7
55.05510	13.9
57.03435	10.5
59.04977	1.1
62.85329	1.1
65.03936	3.5
67.05503	39.7
69.03412	4.0
69.07056	10.6
69.93987	2.3
69.94348	2.1
71.04986	6.6
73.09166	0.9
77.03916	3.2
79.05491	48.2
81.03416	100.0
81.07058	31.2
83.04988	8.6
83.08617	15.5
85.06528	3.7
91.05478	74.9
93.07044	47.7
95.04969	52.4
95.08593	7.9
97.02872	2.7
97.06511	8.4
99.04472	1.2
103.05476	1.6
103.21713	1.0
105.04494	2.8
105.07024	43.7
107.04963	10.5
107.08592	8.8
109.06519	9.5
109.10143	3.3
111.04450	2.8
111.08067	3.3
113.05993	2.9
115.05444	3.9
116.06189	1.2
117.07021	2.8
119.04920	2.0
119.07753	2.1
119.08578	30.5
121.06480	3.6
121.10126	6.7
123.08055	3.8
128.06253	1.0
129.06084	2.1
129.06993	23.3
131.07663	1.8
131.08569	27.7
133.06503	5.2
133.10126	84.0
135.08060	2.3
135.11673	2.4
137.09564	4.5
142.07748	6.4
145.10136	1.7
147.08066	9.8
147.11682	33.7
149.09608	28.4
151.11183	1.6
157.10124	31.3
161.06044	2.8
165.12735	5.1
175.11179	45.1
175.14760	2.1
193.12224	50.5
193.15903	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	193.1224
Annotation	Sedanonic acid lactone
Peak:m/z	Relative Intensity
53.03959	0.4
55.05524	0.4
67.05508	0.4
69.07069	5.8
69.18836	0.5
69.19247	1.5
75.93586	0.3
79.05495	2.9
80.59869	0.4
81.03410	0.3
81.07050	1.4
91.05481	1.0
93.07018	0.6
93.48051	0.4
94.04191	0.4
95.04971	0.9
95.08636	0.4
105.07029	2.2
107.04948	4.3
107.08601	0.6
109.06516	2.9
109.10152	0.4
115.05476	0.4
119.07761	0.3
119.08618	0.5
121.06509	0.5
122.03630	0.4
123.04432	0.4
125.05984	2.9
133.06459	1.8
133.10133	0.6
135.05544	0.5
137.05975	100.0
138.06363	1.0
142.21472	0.3
143.55051	0.3
147.08086	0.5
147.11687	0.4
149.06004	0.5
151.07552	2.1
161.05968	1.9
175.14709	0.5
176.87387	0.3
188.56308	0.3
193.04907	0.6
193.08559	1.1
193.12236	24.7
194.15372	0.6
210.57056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.01860	2.2
55.05507	18.1
57.03415	6.5
57.07069	4.6
58.82041	2.0
59.04998	3.2
67.05505	17.4
69.03434	1.8
69.07067	23.6
70.60587	1.6
71.04977	6.4
74.81723	2.1
79.05494	15.0
79.93147	1.8
81.03414	18.9
81.07059	34.1
83.04977	10.2
83.08619	13.8
85.06523	6.4
91.05488	22.6
93.07044	37.4
95.04966	12.1
95.08600	43.3
97.06516	5.4
99.08064	5.2
105.07025	47.5
107.08593	44.6
109.06519	9.1
109.10152	40.0
111.08095	10.6
115.12814	1.8
117.07046	2.6
119.08580	88.1
121.10145	41.0
123.08070	26.9
123.11702	8.7
129.07002	3.7
131.08553	5.0
133.06482	7.0
133.10124	80.9
135.11696	53.9
137.09619	32.1
137.13271	2.2
138.10373	8.1
145.10115	3.2
147.07993	2.6
147.11684	15.7
149.13268	13.9
151.11185	5.1
151.14793	3.2
160.12480	2.7
161.05942	7.7
163.14728	2.0
165.12770	14.2
165.16386	3.3
175.11269	3.6
175.14812	96.3
193.08614	5.3
193.12216	4.2
193.15881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
53.03946	4.7
55.01867	0.5
55.05509	1.0
57.03440	3.2
59.05002	0.6
59.78895	0.2
60.04517	0.8
61.02939	0.3
67.05508	0.2
69.03431	8.1
69.57364	0.2
70.27133	0.4
71.01345	0.5
71.04996	6.8
73.02920	1.3
75.04485	2.5
79.05489	0.3
81.03418	100.0
82.03735	0.3
83.04956	0.3
85.02904	7.4
85.06532	2.0
87.04469	4.8
89.06024	0.7
94.93018	0.5
95.04960	2.0
97.02895	0.5
98.03667	2.0
98.23345	0.3
99.04459	4.9
107.04952	0.3
109.02879	65.3
110.03190	0.4
111.04443	0.6
111.07978	0.2
113.06007	7.0
115.03931	1.1
123.04424	0.2
124.47856	0.2
125.06023	0.5
127.03919	3.7
141.05464	6.4
148.97305	0.3
149.05956	0.6
153.05467	0.8
154.97751	0.2
159.06537	3.3
177.05507	0.3
177.07587	0.7
192.65474	0.3
195.02885	0.4
195.06464	0.5
206.81435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
51.16774	0.3
53.03947	5.5
54.86048	0.3
54.91769	0.2
55.05510	0.6
57.03439	2.5
59.05004	0.7
60.04533	0.5
61.02894	0.3
67.05492	0.3
69.03065	0.4
69.03432	7.1
70.71501	0.4
71.01360	0.4
71.04992	6.8
73.02921	1.6
75.04485	2.3
81.03417	100.0
82.03760	0.5
83.01319	0.4
83.04971	0.3
85.02904	6.5
85.06529	1.8
87.04468	4.7
89.05988	0.3
95.04973	2.0
97.02863	0.8
98.03666	2.0
99.04453	5.0
100.02488	0.8
106.32357	0.3
109.02879	67.8
113.06004	7.0
115.03915	0.9
121.06516	0.4
122.01759	0.2
127.03909	3.3
133.02788	0.3
141.05469	5.7
159.06526	3.0
162.27818	0.3
163.03909	1.1
167.03357	0.4
177.07600	0.6
194.15512	0.3
195.02875	2.0
195.06461	0.3
195.08698	0.5
209.42867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	4-Hexyloxyphenol
Peak:m/z	Relative Intensity
50.42638	0.5
55.05511	0.8
57.06498	0.6
57.48392	0.5
57.89579	0.5
58.91323	0.5
65.03941	1.6
68.96322	1.3
69.28380	1.0
69.28790	2.1
71.08629	12.0
79.05486	0.5
81.03448	0.6
89.06019	1.9
93.03417	1.0
95.04910	0.7
95.37706	0.5
100.02471	0.9
107.04996	0.8
107.39391	0.5
109.98961	0.9
110.03654	13.9
111.04453	1.5
118.03511	0.9
125.05984	100.0
130.96306	2.5
131.96155	2.0
135.04471	0.5
135.05525	0.7
140.97623	0.5
148.97340	2.7
149.97197	2.9
153.97890	2.2
154.97639	0.8
163.03903	0.7
171.98965	3.2
172.98851	1.5
179.99454	0.5
195.13792	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	4-Hexyloxyphenol
Peak:m/z	Relative Intensity
55.05498	0.9
59.95918	0.7
64.45996	0.6
65.03950	0.9
68.96336	1.3
70.08081	1.7
70.94265	0.8
71.08633	11.7
71.95248	1.2
82.72448	0.6
89.06014	1.2
93.03392	1.6
95.05044	1.0
98.22745	0.8
100.02475	1.1
107.04939	0.8
109.98927	1.6
110.03664	17.3
111.04441	1.6
116.84792	0.6
125.05989	100.0
126.06292	0.9
130.96352	1.9
131.96150	2.1
137.98825	0.6
148.97356	2.6
149.97238	1.9
153.97878	1.4
171.98949	1.4
172.98801	0.8
195.13802	65.7
196.14261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.02375	2.5
53.03933	4.1
55.05511	25.3
57.03431	15.1
57.07072	6.1
65.03942	3.1
67.05498	37.3
68.96329	4.5
69.03425	7.5
69.07071	53.1
69.44238	3.0
71.04994	19.5
71.95255	4.3
73.68005	2.9
77.03905	3.2
79.05488	60.4
81.07053	63.1
83.04970	6.5
83.08610	9.0
85.06528	3.4
89.06026	7.1
91.05472	34.7
93.07043	100.0
95.04974	15.4
95.08599	29.5
95.12791	3.2
97.06522	9.8
105.07018	27.0
107.04951	7.6
107.07923	5.6
107.08596	60.4
109.06522	22.1
109.10209	5.0
109.98938	8.1
111.08039	3.8
117.07036	27.2
119.08576	20.8
121.06498	19.8
121.10137	15.6
123.08051	21.6
125.07890	2.5
129.06987	8.1
130.07802	4.1
130.96274	15.5
131.08565	31.2
131.96135	11.6
133.10164	8.1
135.08096	6.1
135.11707	15.2
137.09616	3.6
144.09344	8.2
148.97357	13.9
149.13254	21.6
149.97212	12.2
153.97836	14.9
154.97763	6.9
157.10229	3.5
159.11671	24.5
171.98935	14.5
172.98790	8.1
177.12741	15.9
195.13818	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	196.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
62.13509	0.1
65.70950	0.1
69.25117	0.5
70.95865	0.4
72.93781	0.3
77.03914	0.9
78.44941	0.1
79.05492	1.5
85.89881	0.1
92.02595	0.6
95.04966	2.3
95.08606	0.1
105.03371	0.3
105.04510	1.1
107.04942	0.6
111.98473	0.3
112.50056	0.1
119.90112	0.1
120.02036	0.3
125.67780	0.1
131.96149	0.3
132.95821	0.9
134.06033	0.4
135.04411	100.0
136.04761	0.9
149.97231	0.4
150.96928	0.9
153.05478	0.3
154.97760	0.2
155.97432	0.5
173.98459	0.6
178.08629	0.4
196.09654	2.2
196.16963	0.4
209.94681	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	196.9526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70898	12.3
56.96551	15.5
60.55929	11.0
66.02687	12.2
66.66434	10.5
69.93710	23.7
70.95869	54.7
72.93785	13.4
72.99523	11.1
84.57172	11.7
85.24213	10.4
97.22025	11.7
98.97614	67.9
111.98466	61.0
116.98602	32.5
118.34467	10.3
122.94164	11.6
132.95821	100.0
138.05240	12.4
150.96884	86.9
155.97435	67.0
173.98474	59.9
174.06155	32.3
197.07684	21.0
215.08687	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	197.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79054	0.2
53.03945	0.3
55.01879	0.7
55.05508	0.7
65.03942	1.1
67.05503	2.0
68.99790	0.6
69.02861	0.3
69.03419	0.5
69.07067	0.3
70.02274	0.4
70.02597	0.4
70.94317	0.2
70.95865	5.7
71.01350	0.7
72.93787	2.1
73.02927	0.9
77.03951	0.4
79.05501	0.9
80.02650	0.4
81.03411	2.1
81.07061	0.6
83.04982	1.1
83.08612	0.3
88.96902	0.8
90.94817	0.6
91.05466	0.6
93.03418	0.9
93.07037	0.4
93.67612	0.3
95.04966	3.9
95.08559	0.5
97.02895	0.5
105.03399	1.0
105.07028	1.1
107.04999	0.2
107.08580	0.4
108.02107	0.9
109.02862	1.4
109.06519	0.8
111.04455	1.1
111.98476	6.3
113.96401	0.3
114.94789	0.4
118.01492	0.2
121.02885	1.4
123.04430	9.5
123.08014	0.3
125.05986	0.9
126.03146	0.9
127.03909	0.8
129.99539	2.4
132.95827	10.4
133.02841	0.9
133.06490	0.8
133.10138	0.3
136.01550	11.5
137.05920	1.2
138.03102	0.4
141.05446	1.5
150.03127	4.0
150.96890	12.3
151.03900	92.7
151.07399	2.9
152.04251	0.7
153.01834	6.1
153.05510	0.9
154.02612	5.1
155.97420	8.8
158.73660	0.2
161.05978	1.0
164.01016	0.4
173.98483	11.2
179.03387	72.8
180.03737	0.7
182.02103	12.4
196.13376	0.4
196.16872	0.5
197.04451	100.0
198.04829	1.0
198.18501	6.4
198.90379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0444
Annotation	3,4-Methylenedioxymandelic acid
Peak:m/z	Relative Intensity
53.03955	0.4
55.01836	0.3
55.05504	0.6
55.93525	0.3
57.07073	0.4
65.03934	1.2
65.04270	0.3
67.05506	2.5
68.99790	0.7
69.03445	0.6
70.95866	4.5
71.01350	0.7
72.93784	2.5
73.02921	0.8
77.03915	0.3
80.02641	0.4
81.03419	1.4
81.07069	0.4
83.04991	1.1
88.96907	0.5
89.06075	0.3
90.94845	0.5
91.05508	0.6
93.03398	1.1
95.04967	3.8
103.93075	0.3
105.03386	1.0
105.07054	0.8
107.08631	0.4
108.02121	0.9
109.02862	1.4
109.06499	0.6
111.04444	0.9
111.98484	4.8
121.02890	1.2
123.04432	9.9
125.05981	0.7
126.03135	0.7
127.03957	0.7
129.99532	1.8
132.95828	8.6
133.02805	0.4
133.06444	0.4
136.01558	11.0
137.05931	0.5
137.09592	0.4
141.05434	1.2
149.02373	0.5
150.03116	3.6
150.96889	8.0
151.03903	91.0
152.04227	0.7
153.01819	6.3
153.05484	0.6
154.02600	4.6
155.97415	6.5
161.05986	0.9
164.01024	0.5
173.98500	7.8
179.03392	73.2
180.03722	1.1
182.02107	11.6
196.16975	0.4
197.04454	100.0
198.04762	1.0
198.18500	5.3
203.06960	0.3
204.58289	0.3
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
55.01870	1.9
60.43795	0.4
65.03935	1.5
67.05503	1.6
70.31503	0.7
70.95873	2.1
72.93779	1.1
73.02917	24.0
73.99654	0.3
74.88623	0.4
76.07980	0.3
91.05460	1.9
93.03410	1.4
95.04961	1.0
96.65731	0.3
108.02098	1.6
110.03636	2.0
111.04446	0.9
111.98477	3.6
119.04955	1.7
121.03994	0.5
125.05990	17.5
129.99538	1.5
132.95828	7.1
137.05951	0.6
141.05446	1.6
144.00320	0.3
149.06013	2.3
150.96912	5.5
151.03909	100.0
151.05005	8.1
151.07439	2.9
152.04356	0.4
155.97414	5.5
173.98494	5.9
179.07031	20.9
182.96492	0.4
197.08072	9.0
198.18497	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.00323	0.3
55.01878	2.0
63.52250	0.3
65.03961	1.4
67.05498	1.5
69.54917	1.0
70.95876	1.0
73.02919	23.2
77.03943	0.3
81.98837	0.3
91.05466	1.6
93.03406	1.6
95.04983	0.9
98.22746	0.6
99.32292	0.3
108.02095	1.5
109.02950	0.4
110.03669	1.9
111.04443	0.8
111.98495	0.9
119.04953	1.7
121.04028	0.4
125.05993	19.7
129.99577	0.4
132.95836	1.6
136.01570	0.5
137.05988	1.0
141.05499	2.3
148.63872	0.3
149.05984	2.6
150.96913	1.0
151.03914	100.0
151.05017	10.4
151.07437	3.2
152.04285	0.8
155.97409	1.1
164.57111	0.3
173.98488	1.3
179.07034	22.7
186.49742	0.3
197.06322	0.6
197.08092	10.1
200.78128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.05512	2.0
55.87710	0.8
67.05482	1.6
69.03416	1.3
69.07061	1.4
69.22556	1.5
69.22965	3.0
70.95864	9.3
72.93789	5.1
79.05476	3.3
80.33482	0.8
81.07043	2.9
83.08634	1.0
88.96922	1.3
91.05481	11.6
93.07051	8.7
95.04950	2.5
95.08640	2.1
100.68120	0.9
105.07032	16.6
107.08595	100.0
109.06541	4.1
109.10139	5.6
111.98483	11.3
119.06049	1.8
119.08559	5.0
121.06479	2.9
121.10122	1.4
123.11691	1.5
125.05976	1.0
126.23404	0.9
129.99522	3.5
131.08546	1.3
132.95833	18.0
133.10132	57.3
135.11697	14.6
137.05977	3.3
137.09602	2.8
143.08559	1.2
146.07291	1.6
150.96895	17.3
151.03926	1.4
151.11180	5.1
152.14340	2.1
153.14699	4.3
155.97420	15.3
161.09602	14.1
173.98499	18.5
179.10672	25.2
197.10184	2.6
197.11726	71.4
197.17281	2.6
198.18536	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	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.6
55.93524	3.1
59.04989	2.8
63.53448	1.6
67.05492	5.4
69.03403	1.8
69.07061	2.9
69.14738	8.7
70.95866	39.6
72.93794	19.4
79.05477	5.8
81.07059	8.9
83.08590	1.5
88.96935	3.7
90.94848	3.0
91.05471	16.9
93.07047	26.9
95.04976	9.9
95.08615	3.8
98.22663	2.2
103.44227	1.3
105.03396	10.6
105.04509	1.5
105.07029	28.5
107.08593	67.9
109.06512	7.0
109.10130	6.9
111.98473	48.8
113.96381	2.5
114.94767	3.0
119.04928	2.3
119.08563	8.3
120.52195	1.4
121.06527	6.6
121.10129	1.2
123.04439	2.8
123.08080	2.4
123.11687	2.4
125.06001	2.1
129.99521	13.9
131.08568	3.0
132.95834	92.1
133.10129	68.7
133.96207	1.3
135.11694	55.3
137.05971	6.5
137.09598	6.1
143.08492	1.7
147.99275	1.4
150.96889	83.5
151.11160	4.8
151.96983	1.3
155.97429	68.1
161.09622	30.3
168.97906	2.3
173.98494	83.4
179.10670	100.0
180.11028	1.5
196.17015	3.5
197.00063	4.9
197.11728	80.0
197.17302	19.4
198.18503	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.05501	4.6
55.93524	3.1
59.04989	2.8
63.53448	1.6
67.05492	5.4
69.03403	1.8
69.07061	2.9
69.14738	8.7
70.95866	39.6
72.93794	19.4
79.05477	5.8
81.07059	8.9
83.08590	1.5
88.96935	3.7
90.94848	3.0
91.05471	16.9
93.07047	26.9
95.04976	9.9
95.08615	3.8
98.22663	2.2
103.44227	1.3
105.03396	10.6
105.04509	1.5
105.07029	28.5
107.08593	67.9
109.06512	7.0
109.10130	6.9
111.98473	48.8
113.96381	2.5
114.94767	3.0
119.04928	2.3
119.08563	8.3
120.52195	1.4
121.06527	6.6
121.10129	1.2
123.04439	2.8
123.08080	2.4
123.11687	2.4
125.06001	2.1
129.99521	13.9
131.08568	3.0
132.95834	92.1
133.10129	68.7
133.96207	1.3
135.11694	55.3
137.05971	6.5
137.09598	6.1
143.08492	1.7
147.99275	1.4
150.96889	83.5
151.11160	4.8
151.96983	1.3
155.97429	68.1
161.09622	30.3
168.97906	2.3
173.98494	83.4
179.10670	100.0
180.11028	1.5
196.17015	3.5
197.00063	4.9
197.11728	80.0
197.17302	19.4
198.18503	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05508	4.9
57.03420	1.0
57.06849	0.4
57.07079	3.9
60.04520	0.4
60.07921	0.6
60.08168	6.2
61.02925	0.7
67.05497	1.2
67.09468	0.4
68.05009	1.3
69.03436	3.0
69.07062	4.5
69.70583	1.3
70.06575	1.9
70.96790	0.4
71.08616	1.2
73.02908	0.7
73.54955	0.4
79.05490	1.4
81.03411	0.6
81.07043	1.4
82.01438	0.7
82.06557	0.4
83.08609	4.4
85.01407	0.5
85.02905	13.8
85.10149	0.6
86.06082	0.8
93.07054	1.0
95.06093	28.4
95.08594	1.3
97.02867	1.8
97.06518	1.1
97.10155	2.6
99.04443	0.8
100.02479	2.1
100.07613	1.1
100.11240	0.5
103.02404	0.8
107.08582	0.9
109.02813	0.4
110.09694	0.5
111.08062	0.5
112.08714	1.3
114.09184	0.7
118.03543	1.0
121.10129	0.6
127.03921	4.2
131.01933	0.6
140.04616	0.8
144.05115	0.5
145.04953	5.1
147.01309	0.6
152.01846	0.4
154.03511	0.5
154.09770	0.4
154.13374	6.3
163.06000	1.6
170.02960	1.8
174.98558	0.4
181.15880	0.4
198.12642	2.1
198.18526	100.0
199.18854	1.0
216.07120	0.9
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
53.51666	0.3
55.01866	1.3
55.05260	0.4
55.05509	4.7
56.96566	1.8
57.03428	1.0
57.07079	2.8
60.08168	7.3
61.02917	1.4
63.83468	0.3
67.05505	0.6
68.05026	1.7
69.03424	3.1
69.07068	4.3
70.06591	26.1
70.98133	0.4
71.04989	0.6
71.08624	0.9
72.08157	0.5
73.02900	1.3
74.09699	0.3
77.16589	0.3
79.05476	0.8
79.81227	0.3
81.03402	0.9
81.07052	1.2
82.01438	1.5
82.06570	0.4
83.04984	0.8
83.08623	5.0
85.01401	1.0
85.02908	16.4
85.10175	0.4
86.06064	1.1
86.09705	0.3
91.03950	0.8
91.05457	0.4
93.07082	0.7
95.04977	1.8
95.06094	31.9
95.08597	0.7
97.02889	3.4
97.06512	1.1
97.10163	2.0
98.23274	1.9
98.97578	2.4
99.04441	1.1
100.02485	4.5
100.07599	1.2
100.11257	0.5
101.00856	0.5
101.02394	0.5
103.02454	2.4
107.08579	0.6
109.02894	0.7
110.09658	0.5
110.97622	0.5
111.08064	0.5
111.98455	0.4
112.08731	0.6
113.00891	0.5
114.09105	0.5
116.98622	1.2
118.03529	2.1
118.12288	0.6
119.01905	1.4
121.03549	1.6
121.10141	0.7
123.04408	1.2
125.02406	0.5
126.04005	0.8
127.03035	0.4
127.03922	6.3
128.98544	0.5
129.00337	0.6
131.01877	1.6
133.03503	0.4
134.99641	0.9
136.08646	0.4
138.06348	0.6
140.04689	7.2
141.05412	0.3
143.03624	0.5
144.05063	1.0
145.03377	0.3
145.03763	0.5
145.04971	6.6
147.01387	1.6
149.02977	0.5
151.03934	0.5
152.01920	0.6
152.07045	0.4
154.03503	0.8
154.13388	8.1
155.01804	0.3
155.07036	0.9
156.17480	0.4
156.97565	0.8
163.06015	1.3
169.03568	0.5
169.04890	0.7
170.02988	4.3
170.06630	4.0
173.02890	0.5
174.99059	1.2
175.04636	0.5
175.06210	0.6
181.02628	2.7
188.07732	1.2
192.64394	0.4
192.98773	0.4
193.00224	1.8
193.01840	0.4
198.05365	4.1
198.05937	3.7
198.12610	3.0
198.18530	100.0
199.18861	1.3
216.07155	8.5
216.09172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14511	0.1
55.05518	1.1
57.07065	0.6
59.59138	0.1
65.03941	0.9
67.05501	0.2
69.07073	1.1
71.08643	0.2
71.14901	0.2
71.15253	0.1
72.08144	0.2
79.05502	0.2
81.07068	0.2
82.06649	0.2
83.08605	0.8
86.06045	0.2
91.05480	100.0
92.05811	0.7
95.08607	0.2
97.06487	0.2
97.10164	0.6
98.97601	0.3
100.07607	0.4
106.06558	2.8
110.09650	0.1
111.08147	0.2
116.97210	0.2
140.04698	0.2
150.96938	0.2
151.97054	0.1
156.97665	0.2
165.07007	0.3
166.07761	0.6
173.98381	0.1
174.98717	0.2
175.98466	0.2
181.10127	3.8
198.12782	6.6
198.18530	21.3
199.18852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0602
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
52.95509	0.4
53.03945	0.7
53.64260	0.4
55.01873	1.1
55.05510	4.0
56.96564	0.8
57.07074	2.5
65.03945	4.7
67.05496	2.6
69.07064	3.6
69.49770	1.4
71.08632	0.7
72.04522	0.8
72.08147	0.6
74.09711	3.4
77.03915	0.4
79.01848	0.4
79.05487	1.6
81.03374	0.4
81.07063	1.2
82.04198	0.6
83.08629	2.9
84.08979	0.4
86.06087	0.5
91.05491	0.5
93.03410	2.8
93.07049	1.5
94.04176	0.4
95.04967	43.2
95.08596	0.6
97.02904	0.9
97.06540	1.6
97.10171	1.3
98.03613	0.4
98.97585	12.5
100.07603	1.5
105.04504	1.4
107.01317	1.0
107.08590	0.7
108.02106	0.9
109.06533	0.8
109.27039	0.4
110.03677	2.2
111.04446	5.6
111.08044	0.6
116.97244	4.5
116.98614	7.4
121.02889	1.2
121.06526	0.5
121.10156	0.4
122.03645	1.0
123.04429	12.8
125.02345	11.1
125.05987	4.1
131.99551	1.1
133.99908	0.4
134.95770	0.4
134.99652	2.9
135.08072	0.3
137.02348	0.6
138.03084	0.7
139.03908	7.2
139.07526	0.4
140.04680	100.0
140.72713	0.3
141.05481	7.5
149.02325	1.4
152.96944	1.5
153.05472	9.4
155.07027	17.9
157.10109	0.7
157.97383	0.6
158.01268	1.2
166.02654	0.9
167.03403	0.7
167.07048	1.3
171.06573	0.9
175.98514	3.8
176.02307	2.5
181.04955	15.7
184.03723	0.6
198.18529	53.2
199.06015	6.7
199.14865	1.5
199.18903	16.4
199.26163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0601
Annotation	Syringic acid
Peak:m/z	Relative Intensity
51.02381	0.3
53.03950	1.5
55.01857	1.2
55.05514	2.6
56.05840	0.3
56.90938	0.2
56.96549	0.4
57.07077	1.5
57.93565	0.6
61.75622	0.2
63.05702	0.2
65.03940	2.5
67.05502	3.7
69.07066	3.2
70.60049	0.4
71.08632	0.3
72.04518	0.7
72.08157	0.5
74.09715	2.2
75.94614	0.4
77.03925	2.2
79.05491	2.0
81.03415	0.6
81.07054	1.3
82.06601	0.3
83.04974	0.5
83.08609	2.2
84.08942	0.4
84.24118	0.2
86.06062	0.6
86.09693	0.3
91.05482	1.4
93.03407	1.1
93.07047	3.0
95.04967	27.8
95.08611	0.7
97.02874	1.4
97.06516	1.0
97.10191	1.1
98.97586	7.8
100.07619	0.7
105.04517	4.5
107.01308	0.3
107.08593	0.8
107.48512	0.3
108.02065	0.3
109.02891	0.4
109.06519	0.6
110.03677	1.5
111.04436	1.9
111.08089	0.6
111.39777	0.3
114.09213	0.3
116.97231	4.9
116.98598	4.6
117.07038	0.3
120.02067	0.4
121.02868	2.3
121.04015	0.4
121.06519	2.5
123.04433	14.2
123.08051	0.7
125.02350	13.0
125.05932	0.4
129.21248	0.2
131.99571	1.5
134.95906	0.6
134.99675	2.4
135.08064	0.5
137.02307	0.3
138.03149	0.4
139.03883	0.9
139.07521	1.9
140.04678	100.0
141.04947	0.5
149.02332	0.6
149.05975	0.6
152.96924	1.8
153.00703	0.3
153.05484	0.9
155.07030	16.8
156.04156	0.4
157.97513	0.9
158.01265	0.7
163.07484	0.3
166.02626	0.9
167.03397	1.5
167.07045	5.9
171.04350	0.3
171.06549	0.2
173.08054	1.2
175.98517	3.8
176.02287	1.2
181.04958	5.0
181.08598	0.6
193.97206	0.2
198.18527	38.4
199.04436	0.3
199.06047	2.3
199.18898	11.3
200.16464	0.4
213.32860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03959	1.5
55.01862	1.0
55.05517	2.1
56.96553	0.7
57.07075	1.4
57.93562	0.5
63.28144	0.2
65.03944	3.0
67.05513	2.7
69.07070	2.1
71.32196	0.3
72.04513	0.4
74.09723	1.7
77.03926	2.2
79.05489	0.7
81.03416	0.4
81.07034	0.7
82.71439	0.3
83.04979	0.5
83.08613	1.8
85.02900	0.4
85.27939	0.2
86.06090	0.4
87.20193	0.3
93.03409	0.8
93.07048	0.5
95.04972	28.3
95.08609	0.4
97.02872	1.3
97.06546	0.5
97.10168	0.7
98.97587	10.4
100.07602	1.2
105.04530	4.0
107.04964	0.4
107.08572	0.4
109.02876	0.3
110.03679	2.1
111.04438	2.2
116.97252	4.8
116.98606	6.5
120.02100	0.5
121.02866	1.9
121.03908	0.4
123.04435	14.8
125.02358	12.3
125.05988	0.7
131.99536	1.0
134.95894	0.5
134.99687	2.2
135.08069	0.5
137.02344	0.5
139.03912	2.2
140.04684	100.0
141.05127	1.0
149.02335	0.5
150.03267	0.3
152.96945	1.1
153.04382	0.3
153.05432	1.4
155.07034	17.7
157.97498	0.5
158.01244	0.6
166.02647	0.5
167.03400	1.5
167.07004	0.4
173.08109	1.0
175.98538	3.8
176.02281	1.3
181.04968	6.0
181.06573	0.3
181.08456	0.3
193.31082	0.3
198.18538	28.2
199.06018	1.9
199.18906	8.3
218.32376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0964
Annotation	Modiolide A
Peak:m/z	Relative Intensity
53.03941	0.5
55.01865	5.7
55.05505	3.6
56.96534	1.9
57.03419	1.3
57.07058	0.8
57.93536	1.6
65.03931	0.9
67.05169	0.6
67.05497	8.3
68.99752	0.5
69.03407	1.7
69.07065	4.1
70.07368	0.5
70.36225	0.9
71.01337	1.0
71.04969	1.0
71.08592	0.7
72.04491	0.8
72.08170	0.4
74.01769	0.4
74.09396	0.4
74.09715	4.8
75.94595	0.7
79.05488	22.5
81.02965	0.6
81.03416	10.9
81.07051	21.2
83.01335	2.5
83.04967	1.3
83.08623	2.7
85.02880	0.9
86.06052	0.4
91.04962	0.6
91.05479	8.9
93.07044	9.8
95.04947	2.7
95.08581	1.1
97.02901	0.9
97.06517	1.5
97.10153	1.3
98.97577	23.0
100.07595	1.9
105.07014	2.1
107.04955	4.6
107.08587	12.6
109.06513	13.6
111.04421	3.8
111.06477	0.5
111.08067	3.1
111.11729	0.5
114.09143	0.6
115.05447	1.7
116.97234	13.3
116.98597	14.5
117.07015	11.0
117.60720	0.6
119.04987	0.9
119.05952	0.5
121.06501	2.1
121.10095	0.5
123.04420	1.0
123.08109	0.6
125.05119	0.8
125.05986	9.7
125.09610	1.9
131.99567	3.3
134.95833	1.8
134.99641	6.1
135.08044	86.8
136.08363	0.7
137.05968	14.3
139.03934	1.0
139.07515	1.5
140.04665	1.6
141.05438	1.8
145.06479	1.2
151.07585	0.5
152.96919	3.8
153.00783	0.5
153.09097	39.3
154.15512	0.5
155.07007	6.7
157.97446	1.3
158.01242	1.3
163.07532	60.9
164.07909	0.7
167.03416	0.4
168.45323	0.5
175.98528	12.6
176.02242	2.6
180.05418	0.5
181.08583	100.0
198.16911	0.3
198.18518	21.3
199.09636	10.5
199.18883	24.3
207.03758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.46045	0.4
55.01873	3.9
55.05519	2.5
57.07085	0.7
59.97147	0.4
65.03944	4.3
67.05513	5.1
68.99774	0.5
69.03420	0.7
69.07063	1.8
70.14137	0.7
72.04492	0.9
74.09728	2.1
77.03924	4.2
79.05493	17.7
81.03416	0.9
81.07061	4.7
82.04166	0.6
83.04989	1.3
83.08620	1.3
88.35086	0.4
91.05483	12.5
93.03413	2.1
93.06450	1.1
93.07047	22.5
95.04970	42.0
95.08603	1.5
97.02891	1.5
97.06517	2.8
98.97587	8.6
100.07582	0.7
103.05474	1.4
105.03396	0.6
105.04528	4.7
105.07001	0.6
107.01302	0.7
107.04969	2.3
107.08611	0.4
109.06523	1.7
110.03655	1.7
111.04459	5.2
111.08067	2.1
115.05461	1.0
116.97229	3.9
116.98612	4.6
120.02139	0.7
121.02872	2.0
121.06506	32.4
123.04434	15.0
123.05122	0.3
123.08068	10.7
125.01429	0.6
125.02351	12.2
125.05998	2.4
131.99539	0.7
133.99905	0.5
134.95811	0.6
134.99673	1.3
137.05948	0.6
139.03902	2.3
139.07550	23.1
140.04684	100.0
141.05534	2.1
148.53394	0.5
149.02341	1.2
149.05980	12.5
150.14513	0.4
152.96919	1.3
153.04416	0.6
153.05496	3.6
153.13185	0.4
155.07030	17.6
161.46461	0.4
166.02621	0.8
167.07040	82.9
168.07361	0.9
171.04370	1.0
171.06471	0.7
173.08049	1.3
175.98523	3.1
176.02292	1.0
181.03503	0.6
181.04967	9.1
181.08598	0.8
185.08154	1.2
198.18547	10.3
198.99202	0.7
199.03894	0.9
199.06023	3.3
199.09694	0.8
199.18925	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	201.1122
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
55.01875	6.4
55.05503	2.0
65.03946	0.5
67.05505	20.9
69.03427	2.2
69.07076	1.0
71.04994	2.6
71.41761	0.4
73.02926	1.4
79.05488	3.3
81.03393	0.6
81.07056	3.8
81.10703	0.4
83.04981	0.7
83.08627	1.2
85.02901	1.5
87.04506	0.5
90.51864	0.4
91.05482	42.2
93.07047	26.6
93.84151	0.4
95.04968	2.0
95.08608	42.6
98.97579	2.0
99.04463	1.0
99.97936	0.9
101.02384	12.4
102.90372	0.4
105.07025	3.3
107.08591	1.4
109.06520	1.0
109.10158	23.6
111.08076	0.5
113.06015	0.5
115.05416	0.7
116.98638	1.8
117.07008	2.0
117.98953	0.8
118.96751	4.2
119.08582	100.0
120.08905	0.9
123.08087	2.5
127.03934	0.5
128.06142	0.5
129.06992	1.6
131.08553	1.0
133.99098	0.8
134.99702	0.9
136.95438	1.1
137.09615	81.2
138.09969	1.0
145.01772	0.4
145.06514	0.5
145.10092	2.7
147.06882	0.7
147.08044	10.4
147.09169	0.7
154.96477	1.3
155.10661	5.3
159.11694	1.0
160.04523	0.4
165.09120	9.5
165.10434	0.8
169.08656	0.7
173.06046	0.5
173.13278	0.4
177.98058	3.2
183.10202	2.7
200.19151	0.4
201.05492	1.1
201.11220	37.8
201.16281	2.7
202.11635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1275
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.02387	0.6
53.03940	0.7
55.05508	2.0
56.96565	1.0
57.07061	1.4
59.93110	0.7
67.05505	5.1
69.03418	2.0
69.07065	2.5
71.05001	0.8
77.03928	0.7
79.05511	4.5
81.07057	8.6
85.06528	1.3
91.05479	9.9
93.07049	9.6
95.04969	2.4
95.08598	6.9
95.95190	0.5
98.97575	2.3
99.97906	0.6
100.94720	0.6
105.04475	0.6
105.07025	14.9
107.08584	8.6
109.06503	1.4
109.10153	2.6
111.08073	0.5
115.05447	2.4
116.06216	1.4
116.98613	2.1
117.07016	7.3
117.98944	1.1
118.96757	7.6
119.08585	20.2
121.06501	2.0
121.10152	4.6
123.08044	0.7
123.11723	2.1
128.06161	3.6
128.14371	0.6
129.07014	9.2
130.07814	3.9
131.08568	36.3
133.10127	32.6
133.99100	1.7
134.99695	1.2
135.99989	1.0
136.95317	0.6
141.06961	3.2
142.07768	2.6
143.08557	24.0
144.05704	0.8
144.09352	8.5
145.06442	4.3
145.10123	46.2
146.07362	0.6
146.10802	0.7
147.08022	0.7
147.11674	2.0
153.06985	2.2
154.96428	3.1
155.08568	2.7
156.09325	1.9
157.06543	1.4
157.10110	5.3
158.07297	3.7
158.10909	33.3
159.08066	9.9
159.11694	25.5
160.04543	0.8
160.08838	1.1
161.09534	1.4
165.12724	1.4
168.09334	2.1
169.06430	0.7
171.08035	9.0
171.11659	3.2
172.08836	12.3
172.12407	1.0
173.09682	11.9
173.13260	100.0
174.13568	1.7
177.98087	6.1
183.11664	4.5
185.09613	1.7
186.06815	1.7
186.10394	38.1
187.10640	0.8
200.99808	0.6
201.05382	1.2
201.09125	6.4
201.12743	93.8
201.16379	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1486
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
55.05503	4.8
57.03433	3.6
57.07080	7.6
59.05000	12.9
59.06660	1.4
59.93102	2.0
60.17624	1.4
61.02937	2.6
63.88860	1.4
66.11987	1.4
66.69576	1.3
67.05501	11.1
69.07073	23.2
69.34557	7.5
71.05000	10.3
77.94147	1.9
78.62241	1.6
79.05486	10.4
81.07063	52.9
83.08628	14.8
85.06555	9.5
91.05470	8.1
93.07059	14.4
95.04968	12.1
95.08611	19.4
97.06534	4.8
97.10169	2.3
98.97591	5.6
99.04460	9.1
99.97909	2.2
102.48550	1.3
105.07026	21.4
107.08598	21.4
109.06520	22.5
109.10130	3.8
115.05448	2.9
116.98627	2.4
117.07032	8.0
117.98925	1.5
118.96758	16.3
119.08591	15.0
121.10165	15.8
123.11715	100.0
127.07561	8.2
129.07080	1.8
130.07793	3.7
131.08601	15.6
133.10107	5.4
133.99066	3.4
137.09631	1.7
137.13205	3.9
141.12750	37.3
143.08566	2.3
145.10135	38.8
147.11708	15.2
154.96475	5.1
157.10074	2.1
159.11711	26.5
159.96968	2.5
160.04558	1.4
165.12758	19.9
173.13289	7.5
177.98039	13.0
183.13812	22.3
185.54955	1.3
201.05476	4.5
201.09148	2.4
201.14888	2.9
201.16397	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	201.1639
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03957	0.6
55.05510	1.4
63.64523	0.6
65.85098	0.7
67.05504	5.1
69.07066	2.7
69.13403	1.2
69.13796	2.4
77.03958	0.6
79.05494	8.9
81.06625	1.0
81.07060	11.9
83.08606	0.9
91.05470	10.9
93.07050	23.0
95.04968	0.9
95.08605	10.8
103.05474	0.9
105.07032	37.4
107.08598	21.6
109.10149	5.7
116.06236	0.7
117.07023	8.9
118.96756	1.1
119.08588	15.4
121.10158	8.3
123.11724	1.1
129.06985	1.5
130.07774	1.9
131.08566	42.0
133.10123	7.4
140.77608	0.6
143.08551	2.3
144.09332	1.7
145.10126	52.4
146.10869	1.0
147.11664	1.6
157.10172	1.7
158.10944	1.2
159.10376	1.3
159.11691	27.7
160.12390	0.7
171.11629	0.8
172.12401	0.9
173.13257	10.1
177.98064	1.7
183.14038	0.7
201.16380	100.0
202.16705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03950	0.8
55.05502	1.9
57.07064	2.4
67.05506	6.3
69.07069	4.2
79.05492	8.6
81.07054	14.7
82.93486	0.7
83.08622	1.6
91.05485	11.1
91.06002	1.3
93.07045	19.2
95.04977	0.9
95.08610	17.0
98.97585	3.0
99.97941	2.0
102.04684	2.0
103.05491	1.0
105.04536	0.9
105.07036	18.5
105.10628	0.7
107.08595	25.4
109.10176	3.9
115.05462	4.8
116.98614	2.9
117.07017	12.7
118.96754	6.1
119.08578	22.2
121.10137	11.9
128.06239	0.8
129.06975	2.1
130.04134	4.4
130.07771	4.1
131.08566	27.3
133.10120	10.4
133.99086	2.3
134.99641	1.5
137.09583	1.6
143.08563	3.8
144.09337	4.0
145.06456	5.5
145.10123	65.9
146.10922	1.9
147.11618	1.2
154.96436	1.8
157.10120	4.0
158.03621	8.6
158.07170	0.7
158.10899	2.5
159.11693	45.7
171.11729	2.0
172.12471	1.5
173.05963	12.9
173.13263	15.2
177.98059	4.9
184.13261	1.1
186.03159	2.3
186.14037	2.3
201.05469	21.9
201.16382	100.0
202.16725	1.3
204.73523	0.7
205.14928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94481	0.4
53.01178	0.5
58.78415	0.5
66.36341	0.5
70.78056	0.5
71.43477	0.7
79.48648	0.5
79.61840	0.5
82.01447	1.2
82.99841	2.4
100.02481	4.6
101.00877	32.0
102.00923	0.6
118.03521	3.0
119.01920	100.0
120.01965	2.8
124.02443	4.3
136.04578	1.4
137.02956	26.4
138.03043	0.8
142.03499	48.2
143.01897	0.5
143.03604	1.9
160.04556	32.9
161.02956	26.7
161.04639	2.6
164.66234	0.6
165.05136	0.9
178.00963	0.7
178.05602	7.6
178.98338	0.8
179.04008	43.6
179.05460	1.7
179.98055	1.4
183.06021	0.5
184.04550	2.0
197.99197	2.3
202.05647	1.9
220.02138	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.37807	0.5
55.05506	4.2
57.07058	0.9
67.05505	10.1
67.93268	0.5
69.07069	5.0
69.73849	1.3
69.74238	1.3
79.05501	5.3
81.07053	52.7
83.08598	2.1
84.06805	0.6
91.05475	7.6
93.07044	8.8
95.08604	35.5
97.00948	0.6
97.10176	0.9
102.96896	0.6
105.07029	34.4
107.07847	0.7
107.08590	15.4
109.10153	31.1
117.06975	1.0
117.98988	0.7
119.08577	31.4
120.36515	0.6
120.96494	1.3
121.10143	17.8
123.11703	4.7
131.08562	2.6
133.10123	36.8
135.11658	2.5
145.10081	2.7
147.11679	63.0
159.11699	1.4
160.12482	1.3
161.13254	13.7
173.13281	0.7
175.14819	27.9
176.15234	0.7
178.83269	0.6
179.97797	0.8
203.17944	100.0
204.18372	1.3
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
53.03941	0.7
55.05510	6.0
57.07064	1.4
66.22052	0.6
67.05504	14.7
69.07062	9.6
79.05487	7.4
81.07057	25.7
83.08638	3.3
84.65269	0.8
91.05466	10.2
91.06003	1.2
93.07043	13.7
93.28981	0.7
95.04955	1.2
95.08603	56.2
97.10167	0.9
102.67154	0.6
102.96844	0.8
103.05405	0.7
103.11251	0.8
105.07027	40.4
107.08589	22.4
109.06466	0.7
109.10157	33.8
113.09705	0.7
117.06982	1.4
119.08575	34.5
120.96519	0.8
120.97942	0.9
121.10139	19.2
123.11703	9.7
131.08559	1.8
133.10123	25.4
135.11688	3.6
138.98933	0.7
145.10159	3.2
147.11679	49.0
148.12358	0.7
148.17209	0.6
156.05916	0.7
159.11641	1.0
160.12431	2.1
161.13261	16.7
163.24161	0.6
173.13316	1.4
175.14830	7.7
179.97786	1.5
188.15527	0.8
191.72029	0.7
203.06934	2.0
203.17947	100.0
204.18291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03934	0.7
55.05508	4.0
57.07066	0.4
65.03929	0.4
67.05159	0.9
67.05502	13.9
69.07068	7.1
69.63715	1.4
77.03911	0.7
79.05493	9.5
81.07055	20.4
83.04961	0.7
83.08636	2.1
91.05479	9.6
93.07044	18.6
95.04960	0.7
95.08603	47.3
97.10147	0.7
102.96899	0.5
103.10738	0.6
105.07028	21.7
107.08591	36.0
109.10152	28.6
119.06088	0.5
119.08575	17.5
121.10143	28.0
123.10952	0.6
123.11696	4.3
131.08540	1.0
133.06487	1.3
133.10123	18.4
135.11687	5.5
145.10112	1.1
147.08023	1.6
147.11685	37.1
159.11693	1.1
161.09656	0.5
161.13271	11.1
167.10582	0.4
175.07542	1.4
175.14821	6.5
176.18190	0.4
203.06924	2.1
203.14194	2.3
203.17949	100.0
204.18311	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03936	0.7
55.05501	4.7
57.07076	0.8
64.03052	0.6
65.03928	0.7
66.84543	0.6
67.05504	14.1
69.07069	6.9
70.88153	1.0
77.03931	0.7
79.05490	6.8
81.07054	31.0
83.08610	1.6
85.87787	0.7
91.05479	12.6
93.07038	15.1
95.04928	0.8
95.08602	53.8
95.31505	0.7
97.10148	1.0
105.07027	32.5
107.08591	28.2
108.08945	0.7
109.10152	30.4
119.07739	1.4
119.08578	23.2
121.10138	15.9
123.11687	4.8
131.08588	0.9
133.10124	22.2
135.11694	3.3
145.10071	1.5
147.11684	45.2
159.11655	1.2
161.13271	12.5
175.14816	7.1
179.97845	1.1
203.08214	0.9
203.17947	100.0
204.18292	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.59047	0.7
53.03938	1.0
55.05515	7.5
57.07069	1.5
65.03943	1.2
67.05511	18.8
69.07072	7.3
70.22054	1.4
70.22388	0.8
71.05016	1.2
79.05492	11.1
81.07063	30.1
83.08604	2.1
87.04461	0.8
91.05479	11.5
93.07052	23.9
95.04996	1.2
95.08612	61.0
97.06546	0.9
97.10172	2.2
102.96890	0.8
105.07034	31.7
107.08599	42.5
109.10162	34.4
119.08589	26.4
121.10154	23.3
123.11710	6.6
125.09662	0.9
128.06238	0.9
129.07007	3.3
131.08546	1.6
133.06473	2.4
133.09183	1.5
133.10136	22.8
135.11679	3.6
139.11226	0.9
143.08543	1.1
145.10081	2.2
147.04433	1.8
147.08046	3.0
147.11699	41.1
157.06522	1.4
157.10132	1.1
159.11723	1.5
160.05302	0.9
160.12440	1.1
161.06023	5.4
161.13269	17.4
175.07559	6.1
175.14812	8.0
185.05887	1.2
203.03418	1.7
203.05199	1.1
203.07028	13.6
203.10635	2.5
203.17964	100.0
204.18158	1.0
219.17137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03929	0.9
55.05512	7.8
57.07068	1.4
57.53954	0.5
62.12817	0.5
63.00471	0.5
67.05502	20.4
69.07061	9.6
69.46968	0.9
69.47330	1.2
72.99294	0.5
77.03936	0.7
79.05483	9.7
79.40333	0.4
81.07055	28.3
83.04974	1.1
83.08620	3.4
86.73159	0.5
91.05473	13.9
93.07041	19.5
95.00555	0.4
95.04971	1.5
95.08603	56.0
96.08917	0.6
97.10171	2.2
98.22703	1.2
99.29570	0.5
103.05457	0.6
105.07026	41.7
107.08590	28.6
109.06501	1.2
109.10153	42.1
110.10448	0.8
112.34037	0.5
115.05418	0.9
117.07033	1.8
119.04958	0.6
119.08573	49.0
121.10137	33.2
121.11437	0.8
123.11707	22.3
125.09578	0.6
126.84694	0.5
129.05534	0.5
129.06969	0.6
130.06557	0.7
131.08543	2.4
133.10124	25.6
135.11685	4.7
142.07806	0.7
143.08565	1.0
145.10114	4.6
147.11678	68.3
148.12300	0.6
156.67281	0.5
157.07660	0.9
157.10083	0.7
159.11682	1.5
160.12437	2.1
161.05957	0.6
161.07939	1.6
161.09477	0.6
161.13258	12.8
162.05505	3.6
173.13216	0.9
174.13890	0.8
175.07516	1.4
175.14786	4.8
179.97868	0.8
188.15605	0.8
203.03308	1.4
203.06844	3.0
203.10625	2.4
203.17941	100.0
204.04381	0.6
204.06474	1.2
204.18298	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.84782	0.6
53.03944	0.8
54.43704	0.6
55.05260	0.7
55.05507	7.0
57.03418	2.0
57.07076	1.7
58.10353	0.6
66.58385	0.6
67.05159	1.2
67.05499	14.7
69.07066	13.1
70.62638	1.1
70.78928	0.6
79.05486	8.6
81.07055	27.7
83.08617	3.5
91.04946	0.9
91.05475	14.0
93.06452	1.0
93.07042	18.3
95.05000	0.9
95.08604	49.2
97.10158	1.5
102.96846	1.1
103.05511	0.8
105.07027	43.3
107.08590	29.5
109.10154	35.0
117.07008	1.9
119.08575	41.2
120.96542	1.1
120.97853	0.6
121.10139	20.4
122.10455	0.6
123.11712	7.2
131.08542	2.4
133.10126	32.7
135.11670	4.0
145.10104	3.7
145.11136	0.6
147.11681	56.8
148.12329	1.0
159.11674	2.0
160.12505	1.5
161.13261	19.1
175.14806	8.2
179.97800	0.7
203.17949	100.0
204.18248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05502	5.1
65.03908	0.6
67.05163	1.3
67.05502	20.0
69.07066	9.2
69.79501	1.4
69.79896	1.4
79.05487	11.3
81.07053	35.1
83.08601	2.7
91.05475	11.3
93.07043	19.6
95.04935	1.0
95.08602	55.1
98.23383	1.5
100.17686	0.7
102.96864	1.4
105.07027	31.6
107.08588	35.7
109.10149	32.4
116.15416	0.9
117.07040	1.0
118.03451	0.8
118.49672	0.7
119.08582	25.4
120.96478	1.5
121.10139	24.9
123.11696	10.1
131.08479	1.1
131.93878	0.7
133.10130	25.5
135.11713	6.4
145.10158	1.8
147.11679	44.9
147.50066	0.7
148.11862	0.9
159.11618	1.2
161.13251	15.2
175.14833	6.2
179.97916	1.4
203.17944	100.0
204.18311	1.1
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
53.03938	0.9
55.05513	6.3
57.07067	1.1
58.99580	2.1
65.03936	1.1
67.05502	18.3
69.07063	8.6
69.98831	1.3
76.02226	1.2
79.05492	9.9
81.07054	43.0
83.08601	2.4
91.05474	11.6
93.07041	21.3
95.04963	1.0
95.08601	60.4
96.08955	0.6
97.10164	1.4
98.23357	0.9
100.11229	2.9
105.07026	36.1
107.08590	38.6
109.06495	0.7
109.10155	45.9
115.05420	0.9
117.07008	1.0
119.08575	27.0
120.96450	0.9
121.10147	14.1
123.11703	7.8
128.06204	3.5
129.07002	1.5
131.08537	2.1
133.06482	0.7
133.10118	18.8
135.11693	3.5
143.08536	5.5
145.06473	0.7
145.10107	2.7
147.08031	1.3
147.11682	44.1
148.12381	0.8
156.96346	0.6
157.10098	1.0
158.09885	0.7
159.04437	0.7
159.11641	1.6
161.13268	14.0
171.08032	3.6
174.06747	2.5
175.07538	3.2
175.14822	8.0
179.97813	0.9
185.13254	1.3
187.07822	3.5
188.08340	3.0
203.07059	2.2
203.10689	9.7
203.14229	2.4
203.17949	100.0
204.10651	1.8
204.18274	1.7
213.86337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1233
Annotation	O-Acety-L-carnitine hydrochloride
Peak:m/z	Relative Intensity
50.34467	0.2
55.05515	0.2
56.05056	0.2
57.03435	1.8
58.03777	0.3
58.06606	0.7
59.05002	0.3
59.07375	0.3
60.05334	0.2
60.08166	13.3
61.02934	0.4
66.11777	0.2
69.03426	0.3
69.98032	0.2
70.06598	1.0
71.04985	0.8
71.06112	0.6
71.06927	0.7
71.33401	0.2
71.59330	0.2
72.08160	0.8
73.02930	0.2
73.08478	0.2
80.05024	0.3
81.03429	0.3
82.06583	0.9
84.04502	1.0
84.08146	0.8
85.02905	100.0
86.03236	0.5
88.08752	0.6
94.06549	0.2
94.93050	0.3
96.04500	0.4
97.02904	0.8
98.06050	0.7
103.03929	0.3
108.27859	0.2
112.07616	0.4
114.09155	0.4
116.07065	0.6
117.07426	0.4
119.01929	0.3
121.01654	0.5
126.05523	1.0
129.07854	0.3
131.97437	0.2
136.11215	0.3
138.05531	1.7
140.07040	0.9
140.10738	0.2
141.05528	0.3
141.10229	0.4
142.08604	0.4
143.01863	0.3
144.02060	0.2
144.03253	0.3
144.06587	1.2
144.10202	2.9
145.04958	9.7
149.02351	1.6
149.98561	0.2
153.03990	0.3
158.08134	1.7
158.11742	0.8
158.12897	0.8
159.13264	0.4
162.04329	0.3
168.06468	0.3
168.13824	0.3
169.04965	0.3
172.03230	0.3
173.02992	0.4
180.90288	0.2
186.07570	0.6
186.11241	0.6
187.05978	0.3
204.05550	0.5
204.08578	1.3
204.12267	26.3
204.15363	1.2
205.12514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.05515	0.5
57.03438	2.7
57.07096	0.2
57.28424	0.2
58.03765	0.4
58.06602	0.8
59.04997	0.2
60.04520	0.3
60.08167	13.1
60.62327	0.2
61.02924	0.9
63.31182	0.2
66.35866	0.2
67.05499	0.6
69.03423	0.8
69.07069	0.2
70.06599	1.1
71.04993	2.4
71.06126	0.3
71.06925	0.4
71.09934	0.2
72.08146	1.4
73.02923	1.9
74.06074	0.3
80.05019	0.4
81.03419	0.2
81.07075	0.4
82.06587	3.4
83.04982	0.5
84.04507	1.1
84.08133	0.8
85.02906	100.0
86.03232	0.6
87.01880	0.2
87.04481	0.3
88.02675	0.2
88.03975	0.2
88.08756	0.3
94.02716	0.3
94.06553	1.3
95.08636	0.2
96.04522	0.4
96.08138	0.2
97.02900	1.5
98.06068	0.5
98.23471	0.5
99.04458	0.4
101.00881	0.7
102.02386	0.3
103.03920	0.2
107.07260	0.3
108.08100	0.6
109.02942	0.2
109.53214	0.2
111.02895	0.2
112.07621	0.3
113.00885	0.3
113.09636	1.8
114.02412	0.4
114.05534	0.3
116.07121	0.3
119.01925	0.6
120.02040	0.4
123.02921	0.4
124.11224	0.2
126.05496	1.1
127.03880	0.7
128.10699	0.3
129.02928	0.3
129.07826	0.3
130.08627	0.4
131.01883	0.7
132.03400	0.3
136.10196	0.4
136.11215	8.0
138.03401	0.6
138.05504	1.7
138.12781	3.1
140.07043	0.5
141.10226	0.3
142.08638	0.2
143.01939	1.0
144.03351	0.4
144.06532	0.9
144.10210	3.0
145.04964	9.0
147.03957	0.4
153.03931	0.5
154.12273	1.0
155.01859	0.9
156.03386	0.3
157.03438	0.5
158.03784	0.2
158.08105	2.5
158.11679	0.5
158.12900	0.5
159.13162	0.3
160.09721	0.2
161.02921	1.2
162.03110	0.8
163.02727	0.3
165.03937	0.3
167.01898	0.4
168.13837	7.1
172.03192	0.2
172.13249	0.3
173.02924	1.6
183.05005	0.3
185.02895	0.8
186.07576	0.6
186.11272	0.2
186.14851	0.6
192.05568	0.3
200.25989	0.2
203.03963	0.7
204.08755	2.1
204.12286	24.2
204.15599	1.3
205.12439	0.2
221.05060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88009	0.7
55.05511	3.6
57.07067	2.0
67.05510	7.5
67.53497	0.8
69.07051	2.9
69.74087	1.8
70.06583	2.7
71.04996	26.1
71.06091	0.8
72.08157	14.6
74.06073	1.2
79.05484	1.2
80.05019	2.1
80.07384	0.6
81.07055	1.9
82.06585	35.0
83.04984	5.9
84.08153	1.0
85.02901	2.5
85.06541	0.9
86.09696	0.8
87.08105	3.1
89.83330	0.7
91.05492	0.9
94.06575	15.5
95.08602	2.3
96.08136	1.9
98.06076	1.0
98.22731	0.9
99.06839	1.2
99.08076	1.7
107.07375	3.5
108.08118	4.5
109.10181	1.4
111.51620	0.7
112.07617	1.3
113.09646	25.0
114.09193	0.9
115.07592	0.9
119.08550	1.9
120.02022	1.0
120.97887	0.7
121.01657	1.7
121.08903	1.5
124.11230	1.8
126.12822	1.3
128.10713	3.3
136.11215	100.0
138.12781	34.6
138.13855	1.6
149.02374	1.5
154.12277	6.8
168.13844	82.8
180.04355	0.9
181.03925	0.7
186.14877	6.5
203.56723	0.8
204.08574	1.0
204.13628	1.3
204.15959	17.2
222.56429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.5
57.07093	1.4
60.04525	0.8
61.02951	0.7
65.20794	0.6
67.04272	0.7
67.05501	8.5
68.05021	0.8
69.07078	1.9
69.39162	2.6
70.06599	1.5
71.04994	26.4
72.08162	8.2
74.06078	1.8
79.05498	1.5
80.05009	2.3
81.07058	2.0
82.04182	0.7
82.06581	43.7
83.04977	8.7
84.04534	0.7
85.02945	0.8
85.06564	1.1
87.08104	3.3
88.04745	0.6
91.05492	0.7
94.06574	18.2
95.08611	2.6
96.08134	1.1
97.06520	0.9
98.06052	2.5
99.06854	0.9
99.08111	1.5
106.06548	0.6
107.06678	0.6
107.07314	2.9
108.08113	4.4
108.39510	0.5
109.10167	1.8
112.07615	1.4
113.08844	1.5
113.09642	26.6
114.09180	1.0
118.40717	0.6
119.08576	2.1
121.08911	2.2
122.09637	1.1
123.08007	0.5
124.11221	2.4
126.12776	1.6
128.10724	4.0
136.11217	99.5
137.11577	0.7
138.12775	40.6
149.02405	0.9
151.11168	1.0
154.12274	18.7
157.36540	0.6
160.12331	1.4
168.13840	100.0
172.13330	11.3
186.14923	7.4
204.15945	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
61.47585	0.3
70.82806	0.8
73.87524	0.5
74.02441	1.7
85.43205	0.3
90.28374	0.4
91.05478	1.1
109.58897	0.4
112.74999	0.4
115.05448	2.9
117.05766	1.2
117.07034	2.6
118.06543	40.5
130.06549	2.9
132.08096	12.0
142.06494	4.2
143.07298	5.8
144.04396	0.7
144.08089	23.6
146.06006	100.0
147.06378	0.6
149.02322	2.1
155.06068	0.6
159.09174	8.8
160.07555	1.3
170.06024	7.7
171.35367	0.4
188.07068	88.4
189.07335	1.1
205.09760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
55.05492	0.9
56.96543	0.6
57.07075	2.7
63.03516	0.4
65.03920	0.9
67.05509	2.7
69.07061	1.5
69.12485	2.5
71.06116	0.6
78.95273	1.0
79.05511	0.9
81.07045	1.7
91.05476	1.9
93.07036	1.1
95.08599	1.8
97.06534	0.6
98.22701	1.0
105.07041	3.2
105.62397	0.4
107.04975	0.5
107.08578	1.4
109.06511	0.9
109.10156	1.2
115.05456	0.6
117.06980	1.4
119.08557	1.4
119.97878	1.0
121.02829	1.8
121.04034	0.4
121.06503	7.3
121.10114	1.3
123.08043	0.4
123.11699	0.5
128.06209	0.5
129.03329	0.4
129.06958	0.6
130.07790	0.8
131.04886	0.5
131.08566	1.6
133.06454	1.2
133.10118	0.4
134.03627	0.9
135.08047	3.2
135.11703	0.8
137.05963	3.3
140.95236	0.6
142.03458	0.4
143.04916	0.6
143.08519	1.1
145.06479	1.2
145.10109	2.4
146.06044	0.5
146.07251	1.3
147.08058	2.5
149.02328	16.7
149.05948	2.0
149.09621	1.4
149.13245	1.3
151.07532	7.2
158.07257	5.3
158.96306	0.6
159.08055	8.3
159.11700	0.7
161.05966	10.3
161.07323	0.6
161.09642	0.7
161.13266	0.7
162.06676	0.9
162.10359	0.5
163.07516	3.3
163.96869	0.8
165.09229	0.5
165.99745	0.4
173.09619	4.5
174.10390	14.1
175.07530	12.2
175.11053	1.2
176.08316	11.8
177.09081	5.7
177.12823	0.6
181.85461	0.4
181.97858	1.6
187.14827	1.5
189.09091	2.8
190.09868	16.1
203.10596	1.1
205.12228	100.0
205.15895	2.4
206.12607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
55.05516	0.4
56.96568	0.3
57.07080	1.9
58.61487	0.3
65.03931	0.6
67.05500	1.6
69.07066	0.9
69.42558	1.2
75.04476	0.3
78.95270	0.5
79.05483	0.8
81.07053	1.3
83.31706	0.2
91.05464	1.4
93.07037	1.0
95.08595	0.9
103.05486	0.7
105.07006	1.7
107.04944	0.6
107.08591	0.8
109.06503	0.5
109.10144	0.6
115.05414	1.4
117.07007	1.7
119.97873	0.4
121.02847	0.9
121.03918	0.2
121.06496	5.4
121.10126	0.9
123.11723	0.4
128.06226	0.8
129.07007	0.5
130.07739	0.6
131.04985	0.4
131.08554	0.3
133.06497	0.6
134.03615	0.7
135.08061	2.6
135.11682	0.6
137.05972	3.3
143.04919	0.2
143.08542	0.6
144.05664	0.3
145.06465	2.5
145.10095	0.6
146.07214	0.7
147.08002	1.8
148.05136	0.4
149.02344	7.3
149.05991	1.8
149.09607	0.3
149.13240	0.9
151.07529	5.0
155.06038	0.6
158.07266	4.5
158.96307	0.3
159.08058	7.6
160.05154	0.3
160.08820	0.6
161.05968	8.3
161.07347	0.5
161.09595	0.5
162.06763	0.5
162.10350	0.3
163.07532	2.0
163.96797	0.5
169.07663	0.3
172.08861	0.3
173.05963	1.0
173.09608	3.9
174.10387	13.3
175.07530	9.9
175.11095	1.0
176.08318	12.3
177.09120	5.1
181.97862	0.6
188.08340	0.4
189.09035	1.6
190.09875	14.1
191.10565	0.4
203.10629	1.0
205.12227	100.0
206.12633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.5
55.38754	1.5
57.07077	15.4
62.11657	1.7
65.03925	3.3
67.51683	1.6
69.07057	3.6
70.03747	4.6
71.04984	7.0
75.05289	1.5
79.05499	7.4
81.07050	28.2
83.04980	2.6
91.05492	2.4
91.10683	1.5
93.03361	1.7
93.07041	3.5
95.08604	3.0
97.06525	2.8
105.07071	3.1
107.08591	6.5
109.06500	2.6
109.10136	8.0
111.11710	3.4
117.07009	2.5
119.97913	2.0
121.02860	11.9
121.03963	2.9
121.06451	2.0
121.10143	2.2
123.04388	2.5
123.11735	9.1
131.08571	3.2
133.10136	2.0
135.08020	1.7
137.02455	1.5
145.06471	1.9
145.26563	1.6
146.06024	4.9
146.07144	1.6
149.02333	100.0
151.11179	6.3
157.12212	1.9
159.07991	2.2
163.02832	2.3
163.07460	2.6
163.96915	2.1
169.12256	4.5
177.09117	3.6
180.77585	1.6
188.07033	3.2
205.05019	7.7
205.08531	8.2
205.15717	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.63688	2.3
53.58467	2.1
54.82198	2.3
55.05506	22.9
56.96556	3.7
57.07079	16.3
63.92950	2.4
65.03942	4.9
67.05509	26.1
69.07069	37.8
69.36542	4.3
69.36882	11.3
70.07781	2.5
71.06117	2.5
71.08650	5.3
72.05053	2.3
78.95281	8.0
79.05499	16.3
79.05910	2.7
81.07058	100.0
83.08612	15.5
88.34155	2.5
91.05472	6.0
93.07044	52.1
95.08606	97.8
97.10173	11.3
105.07034	7.5
107.08586	59.0
109.10155	80.5
111.11726	8.7
119.01888	6.1
119.97890	10.2
121.02857	4.2
121.10140	56.0
122.94244	3.8
122.96431	3.8
123.11710	28.9
135.11694	59.8
140.95264	6.8
142.03494	7.5
149.02347	44.2
149.13261	79.0
158.96321	5.8
162.81657	2.5
163.14825	9.0
163.96884	10.8
181.97888	18.8
182.38403	2.5
204.99495	4.6
205.12323	5.6
205.19514	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03945	2.0
55.05509	16.1
55.66454	1.2
57.07079	9.6
57.89411	1.3
58.32437	1.2
58.71867	1.2
61.09011	1.2
63.92946	2.8
65.03944	1.6
67.05509	22.6
69.07067	30.2
69.93848	3.2
69.94239	2.6
71.06119	1.5
71.08629	2.2
72.98974	1.2
78.95286	8.8
79.05491	17.6
80.51592	1.2
81.07057	83.5
83.08615	9.4
84.67193	1.3
91.05470	6.8
93.06445	2.5
93.07045	63.1
95.08605	85.0
97.10181	7.8
105.07016	6.6
107.08595	63.3
109.10162	52.6
111.11706	5.4
119.01900	2.7
119.08563	1.3
119.97909	11.1
121.02842	2.2
121.10144	100.0
122.94226	3.9
123.11708	73.3
123.96503	1.5
135.08081	1.4
135.11694	37.2
140.95253	5.2
142.03526	1.9
147.11752	2.0
149.02342	20.7
149.13258	80.8
158.96350	7.8
163.02660	1.3
163.07555	4.4
163.14822	5.9
163.96805	12.7
170.68690	1.5
181.97884	14.2
204.99522	2.5
205.12184	9.8
205.17577	1.9
205.19527	36.0
207.94710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.22579	0.2
65.03941	0.2
68.99796	0.3
72.08155	0.3
77.03968	0.2
95.04990	0.2
104.04998	0.4
112.11238	0.2
116.05333	0.2
121.10105	0.2
130.12300	0.5
132.04457	21.4
138.94183	0.2
144.10208	0.2
147.04393	0.3
149.02350	0.8
150.01509	0.2
150.02661	1.4
160.03813	0.4
163.03918	2.7
178.04993	100.0
179.05269	1.1
191.14297	0.3
197.53134	0.2
201.06522	0.3
206.04485	61.8
206.11783	0.6
207.04822	0.8
207.06537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37958	5.9
80.92947	1.3
82.99837	2.3
83.01530	2.3
84.01188	1.9
98.22926	4.2
98.97563	1.7
101.00884	22.2
101.02538	8.3
102.02227	7.1
103.00639	2.5
103.02580	3.3
119.01919	58.2
119.03628	4.2
120.02068	2.0
120.03278	2.3
121.01656	7.4
121.03552	1.6
122.02042	1.3
124.02434	9.0
137.02953	12.6
139.02666	1.4
142.03497	100.0
143.03612	2.2
144.03229	2.6
149.02316	2.5
150.02686	4.7
160.04535	30.8
162.04332	1.9
165.05095	3.0
177.00916	1.3
181.97865	2.0
182.97946	4.5
191.14343	1.6
191.49544	2.4
199.98936	3.9
200.50002	4.5
200.98723	12.2
201.98584	1.5
206.02901	1.6
227.60736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1024
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01859	4.6
55.05500	1.6
56.05036	13.5
57.03430	6.1
58.02947	3.7
58.06601	22.4
59.04994	3.3
60.04520	1.8
67.05487	1.2
68.05032	9.4
69.07056	3.1
69.43549	3.9
70.06579	3.0
71.01349	1.8
71.04987	2.1
73.02912	3.6
74.06039	1.3
76.07624	3.6
79.05486	1.1
80.05006	1.7
81.07026	1.8
82.02916	2.0
82.06563	2.9
83.04940	1.5
83.06898	1.9
84.04502	100.0
84.08148	1.1
85.02899	17.4
86.02412	1.5
86.03216	1.0
86.06040	1.9
86.09698	1.9
87.03353	1.0
87.04456	3.0
88.02186	1.0
96.08128	95.0
100.03934	1.7
101.02386	6.9
101.06034	1.4
102.05516	6.4
103.03929	1.8
113.02329	1.2
113.07132	1.5
114.01810	1.2
114.03770	2.7
114.05512	5.4
115.03932	10.6
122.06014	1.9
124.07587	57.9
125.07905	1.1
128.07030	1.3
129.01855	3.1
131.03433	1.9
142.04980	3.0
142.08629	63.8
143.03404	2.3
146.04451	2.5
146.08141	1.6
146.98161	2.6
149.02303	3.0
150.02710	5.6
157.01314	6.6
159.07651	1.2
160.04256	4.5
160.06075	2.2
160.09685	71.3
170.08124	63.8
172.85950	1.1
178.05008	7.5
188.00186	2.3
188.05527	1.5
188.09161	17.4
191.14345	1.9
206.04497	5.2
206.10228	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	Anhydrosepedonin
Peak:m/z	Relative Intensity
55.01875	0.9
65.03946	0.8
67.05491	0.7
68.99420	0.3
68.99789	5.6
69.86465	0.6
77.03910	0.4
78.02908	0.2
79.05490	1.4
81.03389	0.2
91.05481	1.0
93.03390	0.7
94.44516	0.2
95.04967	0.7
95.38763	0.2
103.05508	0.2
105.04501	0.2
105.07028	0.5
107.04955	2.3
108.02082	0.2
111.04453	0.4
115.05459	0.7
119.04945	3.3
121.02847	0.9
123.04427	1.9
133.02852	0.5
133.06448	0.9
135.04419	1.1
137.05956	0.2
139.03886	0.5
147.04408	6.0
148.81870	0.2
151.03940	0.9
161.05968	1.4
163.03900	100.0
164.04222	0.9
165.05481	2.5
175.03888	1.8
177.17824	0.2
179.03392	0.9
179.07010	0.6
189.05515	0.9
192.04115	0.6
207.02937	1.4
207.06538	4.7
207.08495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	2,2-Dimethyl-6-methoxy-4-chromanone
Peak:m/z	Relative Intensity
52.03144	0.2
55.05507	0.3
57.40493	0.1
65.03942	1.1
67.05507	0.8
67.33783	0.1
68.99782	0.8
69.03425	0.4
69.63364	0.6
70.76879	0.1
77.03937	0.1
91.05487	0.4
93.07046	0.2
95.04966	4.1
95.08587	0.2
102.20557	0.2
105.07031	0.2
108.02094	5.3
111.04436	1.7
112.86399	0.2
119.04971	0.2
119.08562	0.2
121.03985	1.3
123.04422	3.3
123.05280	0.3
125.26556	0.1
129.07030	0.3
133.10156	0.1
137.05956	0.6
141.05460	25.7
142.05803	0.3
147.11679	0.2
151.03897	100.0
152.04260	0.7
161.09662	0.2
174.06721	0.4
189.09106	0.8
207.10152	18.3
208.10507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03947	0.7
55.01869	1.0
55.05505	1.3
57.03450	0.3
57.07074	0.4
65.03935	0.6
66.64865	0.3
67.05502	3.2
69.03429	2.3
69.07067	3.6
69.66089	0.7
69.66436	0.6
71.04990	5.8
77.03914	0.5
79.05489	6.1
81.03402	0.3
81.07059	2.4
83.04981	0.7
85.06541	0.3
89.06035	0.7
91.05478	12.6
93.07047	4.9
95.04955	3.6
95.08603	2.1
97.06504	0.6
98.22655	0.3
99.04454	8.0
103.05468	1.2
105.04529	0.8
105.07030	15.6
107.04951	3.3
107.08591	3.2
108.05742	1.5
108.12277	0.3
109.06532	2.0
109.10159	4.8
111.04446	0.6
113.06018	0.4
115.05450	0.8
117.07024	2.5
118.04195	0.6
119.04935	3.0
119.08585	10.9
121.06501	4.7
121.10181	0.4
123.04455	1.8
123.08067	1.7
125.05975	0.5
128.06209	4.0
129.07031	2.0
130.07758	0.5
131.04918	0.6
131.08557	1.3
132.05702	0.5
133.06471	1.6
133.10129	11.6
135.08051	0.9
136.05170	2.4
137.05949	0.8
137.09607	5.8
139.07521	1.2
143.08562	7.3
145.06445	1.2
145.10103	1.7
146.03615	0.5
146.07253	3.6
147.04390	2.1
147.08049	9.1
147.11684	8.1
149.02357	0.8
149.09526	0.3
151.07536	100.0
152.07921	0.7
155.06061	0.5
157.03931	0.3
159.08029	0.4
161.09612	36.1
161.13179	1.8
162.09927	0.4
163.07562	0.3
163.11128	0.3
164.04665	1.4
165.09120	4.2
165.96489	0.4
171.08095	1.5
171.11658	0.4
174.03152	0.6
174.06754	1.2
175.03926	2.9
175.11127	0.5
179.07114	1.3
179.10680	0.8
189.09111	4.7
189.12756	1.2
189.16508	0.3
192.04160	0.8
196.81104	0.2
207.06551	4.5
207.10188	5.5
207.13794	21.4
208.20575	1.6
224.01259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
51.02417	0.8
53.03932	0.9
55.01871	10.4
55.05508	2.6
65.03938	1.1
67.05503	2.6
68.99786	1.9
69.03429	1.6
71.04979	0.8
71.44910	1.0
72.68539	0.8
77.03932	0.8
79.05486	4.1
81.03402	1.8
81.07059	3.1
83.01344	10.5
83.04991	2.3
91.05481	26.2
92.05840	0.7
92.90604	0.7
93.07045	2.9
95.04963	2.9
95.08608	2.5
97.02908	1.1
103.05460	2.6
105.03410	1.5
105.07030	23.2
105.24863	0.7
107.04986	4.5
107.08599	3.0
109.06513	7.1
111.04434	2.5
112.79800	0.7
113.02402	1.5
115.05460	3.0
117.07024	8.6
119.04951	14.2
119.08575	13.3
121.06516	2.5
121.97588	1.0
123.04398	1.9
123.08038	1.3
125.06013	2.1
128.06219	6.8
129.07004	30.4
131.04959	1.9
131.08589	4.4
132.02028	1.1
132.05739	2.7
133.06482	7.6
133.10097	4.4
135.04326	0.7
135.08049	10.5
137.05980	55.7
143.04932	1.2
143.08568	2.4
145.06473	7.5
145.10168	1.3
146.07256	3.0
147.04395	12.4
147.08044	33.0
148.05199	3.4
149.02354	2.0
149.05963	2.0
151.03917	1.3
151.07568	5.0
153.05423	1.1
155.06067	1.0
157.03922	1.7
157.06534	3.6
158.07272	1.3
159.08037	1.0
160.05203	20.3
161.06024	8.0
161.09615	15.7
163.03949	3.7
163.07542	100.0
164.04628	1.2
164.08249	1.2
165.05566	1.5
165.09171	5.2
171.08098	1.7
174.06769	12.0
175.03964	11.3
175.07542	55.3
176.07980	0.9
179.07063	6.5
179.10655	15.9
189.05405	1.2
189.09099	41.1
189.16228	1.0
192.04153	4.1
207.06650	14.7
207.10161	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
55.05492	0.6
68.36597	0.6
69.07058	1.9
69.13062	0.6
69.23544	3.3
77.00618	0.6
77.03899	0.6
80.94961	1.3
81.07058	0.8
91.05472	8.9
93.07056	0.7
95.04961	2.2
97.06570	0.6
105.07019	1.2
105.09126	0.6
108.05755	1.0
119.04919	2.5
121.06493	19.5
121.07327	1.2
121.10045	0.6
121.97533	1.1
123.08047	1.1
124.05206	0.7
129.58070	0.6
132.19357	0.6
136.05217	1.3
139.07559	3.9
147.04329	1.4
149.02344	2.0
149.07063	1.7
151.07527	100.0
160.95947	0.8
164.04733	3.4
165.09114	1.6
165.96506	1.3
174.03062	0.7
179.07056	1.9
183.97591	2.5
207.06512	6.3
207.13791	36.0
208.14099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
53.03941	0.3
55.01873	0.3
55.05500	0.4
57.03432	0.2
65.03944	0.2
66.75172	0.1
67.05512	0.7
69.07063	3.0
71.43684	0.1
77.03918	0.2
79.05473	0.7
79.20435	0.1
80.94919	0.1
81.07061	0.9
91.05474	3.5
93.07041	1.7
95.04965	0.8
95.08613	0.8
97.06549	0.2
103.05470	0.7
105.04517	0.3
105.07041	1.0
107.04948	0.4
107.08585	0.6
108.05753	1.1
109.06521	0.5
109.10157	0.4
118.04150	0.4
119.04939	1.3
119.08591	0.9
121.06508	2.7
121.10153	0.3
123.04433	0.3
123.08064	1.8
125.79531	0.1
128.76357	0.1
133.06499	0.4
133.10123	0.8
136.05194	2.6
136.76180	0.1
137.05971	0.5
137.09567	0.2
139.07573	1.1
141.11244	0.1
145.37611	0.2
147.04388	0.7
147.08032	0.2
147.11688	0.5
149.02345	0.3
149.05995	0.2
149.07115	0.5
149.08243	0.2
149.13271	0.3
151.07536	100.0
152.06808	0.1
152.07866	0.7
160.08847	0.2
161.09615	0.2
161.13200	0.2
164.04671	0.7
165.09093	0.8
165.96620	0.3
175.03873	0.5
175.11078	0.6
179.07051	0.4
189.09102	0.3
189.16394	0.9
192.04210	0.3
207.06531	1.4
207.10152	0.6
207.13795	18.4
207.17258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
53.03943	0.3
55.01869	0.3
55.05494	0.2
62.57553	0.2
65.03915	0.3
67.05495	0.6
69.06706	0.2
69.07069	3.0
69.37600	0.9
77.03873	0.2
79.05493	0.7
79.67731	0.2
81.07053	1.2
83.08629	0.2
87.75916	0.2
91.05477	4.2
93.07038	1.7
95.04958	0.7
95.08609	1.2
97.35242	0.2
103.05463	0.7
105.04501	0.5
105.07044	1.1
107.04950	0.2
107.08577	0.6
108.05742	1.0
109.06518	0.6
109.10135	0.5
118.04183	0.5
119.04942	1.4
119.08580	0.8
121.06497	3.0
121.10098	0.2
123.04426	0.4
123.08061	1.9
133.06464	0.5
133.10107	0.7
135.11687	0.3
136.05205	2.6
137.05963	0.3
139.07547	0.9
142.94891	0.3
143.62047	0.2
146.03561	0.3
147.04410	0.9
147.08083	0.4
147.11684	0.7
149.02339	0.6
149.07129	0.3
149.13335	0.2
151.07535	100.0
152.07933	0.7
161.05920	0.2
163.03900	0.2
164.04692	0.7
165.09105	0.6
174.03073	0.3
175.03925	0.6
175.11163	0.4
179.07030	0.6
189.09184	0.3
189.16383	0.8
192.04242	0.4
207.06516	2.2
207.09941	0.7
207.13802	17.7
207.17265	0.5
208.20610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.84649	0.5
52.06345	0.5
55.05503	1.6
57.07076	2.1
59.05003	0.6
65.03954	0.8
65.32819	0.5
65.91725	0.6
67.05495	4.2
69.03432	1.8
69.07066	2.4
71.04990	1.5
77.45401	0.5
79.05488	3.4
81.06574	0.7
81.07057	14.0
81.07509	1.0
82.19273	0.5
83.04969	1.5
83.08605	1.3
85.02907	100.0
85.06535	1.6
85.75947	0.5
89.03927	0.6
91.05482	10.6
91.40042	0.5
93.07040	4.4
95.04974	1.7
95.08607	5.6
95.89871	0.5
103.05502	0.6
104.54140	0.5
105.07034	9.3
107.04963	0.7
107.08597	6.6
109.06524	4.8
109.10155	15.6
111.04449	1.4
113.05992	0.7
117.07032	1.2
118.04173	0.8
119.04945	7.4
119.08589	8.0
121.06503	1.2
121.10147	12.4
123.04420	1.5
123.08110	3.3
123.11709	65.1
124.11974	0.6
125.05993	12.0
125.06913	0.6
129.07027	0.8
131.08594	2.7
132.02055	0.8
133.06514	1.2
133.10165	1.9
137.05984	1.0
137.09573	1.0
139.07576	0.7
141.05438	1.4
143.08568	1.4
145.10117	3.9
146.10919	0.6
147.04410	5.0
147.08067	4.4
147.11690	12.0
149.02350	0.8
149.09616	13.9
151.07520	5.0
156.09328	2.0
157.04054	1.0
161.09602	1.4
161.13263	1.9
163.11195	1.6
164.04694	0.7
165.12698	2.7
169.08580	1.2
171.11684	2.1
174.10461	1.2
175.03925	7.9
177.01700	0.5
179.07066	1.1
179.14386	0.6
189.09151	0.8
189.12749	9.9
192.04239	2.5
206.66035	0.6
207.06511	4.6
207.13800	50.1
208.14041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01628	0.7
55.01864	1.2
55.05507	5.4
57.07074	4.3
59.05012	2.1
65.03941	1.3
67.05505	26.0
67.86848	0.6
69.03429	3.2
69.07065	2.0
69.43776	3.0
71.04995	1.7
71.55917	0.7
79.05476	3.7
81.07048	5.1
83.04987	2.4
85.06541	11.8
91.05466	9.3
93.07043	11.2
95.04974	4.5
95.08606	100.0
97.06543	0.8
100.03514	0.7
103.05455	1.1
105.07029	14.8
107.08595	16.9
109.06526	3.6
109.10161	2.8
113.05995	6.2
116.71419	0.7
117.06959	1.3
119.04970	4.3
119.08583	21.5
121.06494	3.2
121.10149	12.7
123.08066	46.5
123.11691	4.5
123.27184	0.7
130.00980	0.7
131.08565	4.2
133.06482	1.3
133.10123	5.9
135.08064	1.9
135.11705	5.3
137.09645	4.4
137.13206	1.6
139.07541	1.5
143.08530	1.0
145.10127	1.0
147.04451	2.5
147.08026	4.4
147.11688	12.0
149.09621	41.4
151.07538	1.1
151.14857	3.5
156.09369	2.5
159.08058	1.0
160.08887	1.1
161.09637	2.2
161.13266	16.2
163.11208	1.7
165.09113	2.0
165.12762	10.8
171.11699	4.0
174.10399	2.8
175.03925	3.2
179.14322	2.9
189.12743	17.6
192.04037	1.0
207.06557	2.8
207.13802	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	ethyl 4-tert-butylbenzoate
Peak:m/z	Relative Intensity
53.03944	0.7
55.01876	0.8
55.05510	1.3
57.07066	0.4
65.03936	0.8
66.18933	0.3
67.05503	2.9
69.03426	2.1
69.07071	3.9
70.21327	0.5
70.21678	0.5
71.04987	3.8
77.03915	0.5
79.05492	5.3
81.03436	0.3
81.07050	2.0
83.04984	1.0
83.08586	0.3
85.06578	0.5
89.06018	0.9
91.05479	13.5
93.07028	3.9
95.04962	3.4
95.08608	1.7
97.06528	0.5
99.04449	6.7
103.05469	1.2
105.04527	0.8
105.07024	12.2
107.04949	2.9
107.08600	3.8
108.05724	1.3
109.06532	1.6
109.10159	3.1
111.04435	0.9
113.05998	0.4
115.05463	0.7
117.07013	1.9
118.04099	0.3
119.04933	5.5
119.08573	9.0
121.06510	5.3
121.10147	0.7
123.04421	2.3
123.08081	1.8
125.05952	0.7
126.79823	0.3
128.06223	2.8
129.06978	1.6
130.07764	0.4
131.04906	0.4
131.08578	0.9
132.05687	0.4
133.06464	1.4
133.10124	9.4
135.04463	0.4
135.08009	0.5
136.05209	2.3
137.05959	0.5
137.09610	5.0
139.07530	0.9
143.08575	5.6
145.06458	1.0
145.10101	1.5
146.03560	0.6
146.07277	2.2
147.04433	3.1
147.08046	7.7
147.10564	0.5
147.11684	6.7
147.12843	0.3
149.02338	1.4
149.13321	0.3
151.07535	100.0
152.07896	0.6
157.03943	0.3
159.08002	0.4
161.09618	25.9
161.13271	1.2
162.09978	0.4
164.04660	1.6
165.09105	3.5
165.42448	0.3
165.96516	0.3
171.08025	1.0
174.03128	0.3
174.06752	1.0
175.03900	4.1
175.11185	0.8
177.05334	0.3
179.07030	2.5
179.10616	0.8
189.09097	3.2
189.12741	1.0
189.16313	0.7
192.04106	1.4
207.04681	0.4
207.06528	6.9
207.10156	5.1
207.13791	19.9
208.20624	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
51.02381	0.2
53.03939	0.3
55.01874	0.4
55.05508	2.2
59.74487	0.2
64.08125	0.2
65.03943	0.6
67.05500	1.9
68.99796	0.5
69.07065	1.5
69.28277	0.2
69.28677	0.5
74.20093	0.2
77.03951	0.1
79.05503	0.5
81.07069	0.7
88.36747	0.1
91.05485	2.7
93.07072	0.3
95.04971	2.0
95.08610	0.8
97.10165	0.3
101.58390	0.2
102.01098	0.1
105.03403	0.2
105.07039	0.7
107.04970	0.3
107.08598	0.4
108.05758	0.2
109.06519	0.4
109.10123	0.2
118.04153	0.3
119.04933	2.3
119.08598	0.4
121.06503	1.1
121.10110	0.2
121.97585	0.3
123.04424	100.0
124.04792	0.5
128.06245	0.2
129.07069	0.2
132.02081	0.2
133.10133	0.4
136.05212	0.3
137.05972	11.2
139.07555	0.6
146.03584	0.2
147.04405	1.6
147.08096	0.3
147.11676	0.4
149.02333	0.4
151.02893	0.2
151.07535	12.8
161.09625	0.3
164.04730	0.5
165.09160	0.4
174.03108	0.2
174.06760	0.2
175.03911	2.1
175.07558	0.3
179.07060	0.3
179.10667	1.8
183.97623	0.3
189.09155	0.4
189.16382	0.4
192.04185	0.5
202.59253	0.2
207.06522	2.4
207.10355	1.9
207.13791	15.3
208.20444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
53.03941	1.5
55.01872	1.2
55.05512	8.7
57.07080	1.6
67.05505	4.2
68.26519	0.6
69.03433	11.3
69.07070	8.8
70.84723	0.9
71.05003	1.4
72.98986	0.7
77.03934	0.9
78.82316	0.8
79.05498	3.9
81.03425	1.5
81.07053	5.4
83.04976	1.7
85.06539	0.8
91.05487	9.8
93.07051	4.3
95.04971	1.7
95.08612	7.3
97.06545	1.0
103.05493	1.6
105.07030	21.2
107.04914	1.0
107.08598	5.8
109.06519	3.3
109.10122	1.1
111.08048	1.3
116.72602	0.7
117.07028	2.5
119.04935	4.0
119.08584	37.3
121.06499	2.8
121.10146	17.6
123.08073	8.1
125.09581	1.1
127.99975	0.7
128.06224	2.5
129.07028	6.8
131.08557	4.1
133.06500	6.5
133.10129	28.6
135.08028	2.6
135.10822	1.0
135.11684	5.4
137.05980	2.0
137.09673	3.5
137.13251	1.1
143.08585	1.0
145.06464	1.3
145.10126	2.6
146.10890	2.0
147.04433	3.3
147.08060	5.7
147.11693	38.5
149.02336	1.3
149.09619	9.6
151.07552	6.3
151.11148	1.5
156.09329	5.0
157.06517	4.8
159.08069	2.2
159.11742	1.6
161.09602	2.5
161.13260	100.0
162.13622	1.2
163.03970	0.8
163.11179	6.3
164.04677	1.5
165.12755	7.6
171.11688	5.1
174.06715	3.8
174.10400	3.8
175.03896	3.2
179.06955	0.8
179.14301	1.5
189.09135	9.9
189.12741	51.8
207.06444	5.3
207.13802	83.6
208.14249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01893	0.2
55.05504	0.3
64.81596	0.2
65.03954	0.4
67.05506	0.6
69.07072	2.7
69.44386	0.6
69.44796	0.3
73.54467	0.1
78.51806	0.2
79.05483	0.7
80.06306	0.2
81.07076	0.7
84.75838	0.2
88.12685	0.1
91.05480	4.0
93.07038	1.5
95.04964	0.7
95.08601	1.0
103.05473	0.6
105.04506	0.2
105.07030	0.9
107.04949	0.3
107.08566	0.5
108.05743	1.1
109.06502	0.6
109.10162	0.5
118.04176	0.3
119.04942	1.6
119.08591	0.6
121.06514	2.4
121.10104	0.2
121.97604	0.2
123.04454	0.3
123.08073	2.0
123.11687	0.2
133.06477	0.6
133.10126	0.6
133.43747	0.2
136.05203	2.4
137.05989	0.4
139.07562	1.0
140.58327	0.2
143.08746	0.2
147.04424	1.5
147.08041	0.2
147.11700	0.6
149.02362	0.5
149.06027	0.2
149.07120	0.3
149.13313	0.2
151.07544	100.0
152.07932	0.7
161.06039	0.4
161.09569	0.2
161.13191	0.3
164.04730	0.8
165.09116	0.5
165.96559	0.2
173.62479	0.2
174.03152	0.2
175.03938	0.7
175.11160	0.5
179.07072	0.9
189.16402	0.5
192.04250	0.4
207.06526	3.0
207.09998	0.7
207.13808	18.8
208.20499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	3.6
55.01861	3.8
55.05508	13.7
57.07068	3.7
59.04987	5.8
65.03923	2.8
67.05503	30.3
68.78206	1.4
69.03066	2.5
69.03431	42.5
69.07065	19.7
69.56777	6.8
71.04997	7.7
76.51074	1.5
79.05492	17.4
81.03404	6.3
81.07051	22.5
83.04978	8.0
83.08596	1.9
85.02904	2.0
85.06538	2.2
91.05485	26.1
93.07042	24.4
95.04967	23.8
95.08598	26.9
97.02886	3.1
97.06530	10.5
98.22719	2.1
99.04433	1.9
105.04508	2.7
105.07030	46.9
107.04947	5.2
107.08601	26.9
109.06529	18.7
109.10152	16.4
110.07287	3.4
111.08083	7.4
113.05996	4.0
117.06998	5.6
119.04957	10.4
119.06071	2.2
119.08580	56.4
121.06506	7.3
121.10144	31.2
123.04434	31.0
123.08054	29.6
123.11691	5.3
127.07594	1.7
128.06180	2.1
129.06993	4.8
131.08582	6.7
133.06459	8.9
133.10127	68.8
135.08044	13.4
135.11691	13.3
137.05971	10.2
137.09607	38.8
137.13295	1.8
143.08505	3.3
145.10106	9.9
146.10962	2.3
147.04407	7.6
147.08032	11.6
147.11684	51.9
149.02367	3.4
149.09622	20.8
151.07535	7.1
151.11198	2.1
153.09106	4.4
156.09360	11.7
159.08038	5.7
159.11716	6.1
160.08766	2.2
161.05804	2.3
161.09645	10.3
161.13249	39.7
163.11151	13.3
164.04646	2.6
164.28818	1.9
165.09140	3.1
165.12772	6.3
171.11682	10.7
174.10393	14.2
175.03951	9.5
177.12727	3.4
179.07028	4.7
179.14314	3.2
189.09041	2.6
189.12737	59.7
192.04214	2.6
207.06448	12.8
207.09923	3.4
207.13806	100.0
208.06219	3.1
208.14317	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.0
55.05516	11.3
57.03445	1.1
59.04992	1.3
63.46268	0.8
67.05498	2.3
69.03070	1.6
69.03429	28.3
77.03931	1.5
79.05478	4.1
81.03420	0.9
81.07046	2.8
83.04968	2.2
91.05485	12.0
93.07050	7.2
95.04954	2.5
95.08595	4.8
98.23452	1.5
103.05445	2.7
105.03394	4.4
105.04507	1.6
105.07020	9.0
107.04963	4.3
107.08600	7.2
108.05709	1.1
109.06512	7.1
117.06998	2.9
119.04926	4.5
119.08585	7.5
121.06506	62.5
121.10132	5.2
123.04441	5.8
123.08066	15.6
125.05988	2.3
128.06255	0.9
129.07056	1.0
130.07784	2.2
133.06493	33.0
133.07494	1.6
133.10118	2.1
135.08054	10.8
135.11652	2.3
136.05188	1.5
137.09598	2.1
137.13268	0.9
143.08534	1.4
145.10092	1.5
147.04419	2.5
147.08095	1.0
147.11685	4.0
149.02338	1.7
149.09592	2.1
151.07536	4.2
153.09123	1.1
161.09546	1.6
161.13211	3.0
163.11182	100.0
164.04666	3.3
164.11560	1.0
165.12735	2.5
171.11664	1.3
174.10460	1.3
175.03885	1.9
176.82323	0.8
179.07022	2.7
189.09152	0.8
189.12720	8.7
192.04201	1.5
207.06520	8.7
207.10146	2.0
207.13795	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
57.07074	51.6
58.99587	8.7
62.99078	1.8
67.05505	0.5
69.07054	2.9
71.08629	48.1
71.43333	0.5
77.00627	100.0
80.94953	1.0
91.05489	1.3
93.07016	0.8
95.01665	4.5
121.97603	1.0
133.10080	0.6
142.94942	0.6
144.52440	0.4
160.95985	0.6
161.09937	2.7
164.04692	0.6
165.96539	0.9
179.07042	0.5
183.97571	1.6
189.12952	0.5
207.06483	1.3
207.14127	86.9
226.44200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	Fraxetin
Peak:m/z	Relative Intensity
55.01860	0.8
55.05489	0.4
57.07074	17.0
59.04996	0.3
62.28158	0.3
65.03937	1.4
67.05499	0.5
69.07059	0.5
69.39549	1.5
75.04472	0.6
77.03918	0.4
77.30560	0.3
78.04705	0.8
79.05487	2.0
81.07043	1.0
82.04198	0.8
85.02882	0.8
85.06540	10.0
89.03909	0.5
91.05473	3.8
93.03402	3.7
93.07021	2.2
94.04189	0.7
95.04970	1.9
95.08609	0.9
97.06506	1.2
103.05450	1.1
105.03410	1.5
105.04525	0.8
105.07006	0.6
106.03511	0.5
106.04170	5.7
106.10411	0.3
107.04960	0.7
107.08582	1.2
109.02882	0.5
109.06529	0.4
109.10165	0.3
110.03645	3.2
111.04398	0.4
111.08041	0.3
117.03367	0.3
119.08563	0.3
120.02084	0.8
121.02868	10.7
121.05713	0.6
121.06499	5.7
121.10112	0.4
122.03643	0.4
123.08080	0.6
125.05978	2.8
133.02861	3.0
134.03606	0.9
135.04422	0.8
135.11700	0.5
137.02319	3.4
137.05937	1.4
138.03111	7.8
139.07588	0.7
145.02837	0.4
145.10107	0.3
148.01508	1.2
148.05215	0.7
149.02342	9.2
149.05966	6.3
149.13216	1.1
150.03116	17.9
151.03668	0.3
151.07549	0.4
153.05463	2.6
153.09082	2.7
163.03900	0.4
163.07555	0.5
163.11134	0.5
165.01871	0.6
165.05443	2.9
166.02606	8.5
167.03197	0.3
176.01021	0.5
177.01822	24.5
177.05400	2.8
181.01404	0.3
181.04955	7.2
181.06589	0.4
181.08513	1.4
185.97401	0.3
191.03336	0.6
191.06931	0.4
191.10759	0.5
191.14276	0.4
194.02095	34.0
195.02446	0.3
209.04442	100.0
209.11703	3.3
209.15355	1.8
210.04851	1.4
225.29982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0445
Annotation	Fraxetin
Peak:m/z	Relative Intensity
55.01860	0.8
55.05508	4.1
57.03436	0.6
60.83581	0.4
63.04562	0.4
65.03922	1.6
67.05492	1.5
69.03434	0.4
71.04985	1.0
77.03912	0.8
79.05495	2.5
81.03421	0.5
81.07047	2.3
82.04199	0.9
83.04967	5.0
83.08611	1.8
85.02898	0.6
85.06519	1.0
91.05476	3.4
93.03401	3.8
93.07049	2.9
94.04182	0.7
95.04954	2.7
95.08609	1.2
97.06528	1.3
103.05463	0.9
105.02730	0.5
105.03376	1.7
105.04485	0.8
105.06999	1.0
106.04176	5.1
107.04966	0.9
107.08612	2.2
107.28961	0.5
108.96243	0.4
109.02863	0.7
109.06528	3.7
109.10143	1.8
110.03674	3.6
111.04449	0.8
111.08060	0.5
119.04945	0.7
120.02061	1.1
121.02869	11.5
121.06494	4.9
121.10151	1.4
123.08062	1.3
123.79825	0.5
125.05974	2.0
125.09619	0.9
131.05023	0.6
133.02847	3.0
133.10100	1.5
134.03622	0.8
135.04378	0.6
135.08057	0.9
135.11668	0.6
137.02338	3.7
137.05977	1.0
137.09544	0.6
138.03114	8.1
139.07465	0.6
148.01535	1.2
148.05200	0.7
149.01305	0.4
149.02327	10.5
149.05975	4.9
149.13258	1.0
150.03119	20.6
151.07510	0.5
151.11201	2.8
152.67789	0.5
153.05414	2.8
153.09097	1.7
163.03911	0.6
163.07532	1.2
163.11154	0.7
165.01852	0.9
165.05493	3.2
166.02634	9.2
167.14339	4.5
173.13327	0.6
177.01833	26.7
177.05464	1.9
181.01286	0.9
181.04926	8.6
181.08556	1.8
181.48836	0.5
191.03377	0.8
191.06932	0.5
191.10680	1.9
191.14293	1.0
194.02101	36.7
195.02477	0.5
209.04431	100.0
209.15320	3.3
210.04790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0444
Annotation	Fraxetin
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	1.8
55.05496	2.4
57.03438	0.7
65.03930	2.2
67.05492	1.4
69.03415	0.5
69.07056	1.6
69.34872	1.9
71.04987	0.7
72.94965	0.4
75.04489	1.3
77.03931	1.1
78.04708	1.5
79.05473	3.5
81.03452	0.5
81.07038	2.1
82.04195	1.7
83.01331	2.8
83.04981	1.5
83.08596	0.6
85.02906	0.6
85.06533	0.9
89.03909	0.6
91.05476	7.3
92.48129	0.4
93.03404	4.0
93.07053	3.5
94.04221	0.7
95.04964	4.1
95.08595	2.0
97.02849	0.6
97.06532	3.8
98.22683	0.9
99.08100	2.8
101.05997	0.4
103.05453	2.2
105.03383	1.6
105.04497	1.0
105.07030	1.5
106.04173	7.8
107.04943	1.9
107.08594	3.3
109.02894	0.8
109.06504	1.3
109.10143	1.6
110.03648	3.3
111.04430	0.6
111.08076	1.0
117.03373	0.4
119.04913	0.5
119.08546	1.1
120.02052	1.1
121.02867	11.8
121.06505	9.0
121.10133	3.3
122.03699	0.5
123.04399	1.1
123.08055	1.1
123.11692	0.6
125.05999	3.6
125.09624	1.8
131.04913	0.9
131.08611	1.1
133.02835	3.8
133.10139	1.7
134.03600	1.0
134.17979	0.5
135.04390	0.6
135.08049	4.5
135.11684	0.8
137.02333	4.0
137.05983	2.3
137.09595	0.8
138.03113	8.8
138.06705	0.5
139.07504	3.1
139.11182	1.2
145.10109	0.9
147.11609	0.5
148.01556	1.1
148.05194	1.2
149.01111	0.6
149.02325	10.6
149.04858	0.8
149.05980	10.4
149.09651	2.5
149.13231	1.0
150.03116	21.4
150.09912	0.5
150.45930	0.4
151.11189	1.6
152.08426	0.5
153.05467	4.2
153.09099	3.6
158.52748	0.5
163.07503	1.8
163.11168	0.5
163.14825	1.2
165.01775	1.0
165.05492	4.2
166.02626	8.7
166.06303	0.5
167.07005	1.4
173.13206	0.9
176.00912	0.4
177.01823	28.4
177.05399	4.6
181.01392	0.7
181.04953	8.5
181.08575	2.7
181.15874	0.6
191.03323	1.0
191.07002	0.4
191.10669	0.9
191.14342	2.5
194.02098	36.1
209.04443	100.0
209.07979	4.9
209.15355	10.5
209.17252	0.9
210.04788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05299	0.5
55.05513	5.5
57.48247	0.4
65.03928	1.1
66.04725	0.5
67.05491	1.5
69.07056	0.9
71.04984	0.8
71.44527	0.5
75.04473	0.6
77.03896	0.5
78.04692	0.5
79.05499	2.4
81.03419	0.6
81.07053	2.2
82.04210	2.0
83.04986	5.5
83.08633	2.9
85.02899	0.6
85.06553	0.6
91.05468	3.7
93.03410	3.4
93.07069	2.1
93.52312	0.4
94.04156	0.6
95.04955	2.6
95.08588	1.1
97.06525	2.0
97.10165	0.9
103.05470	1.1
105.03413	0.8
105.04501	0.6
105.07028	0.9
106.04173	4.7
107.04939	1.4
107.08576	2.3
109.06521	3.2
109.10159	2.2
110.03669	2.9
111.04454	0.5
111.08055	0.9
113.09757	0.5
119.04996	0.6
119.08598	0.7
120.02101	0.7
121.02871	12.2
121.06522	3.2
121.10130	1.5
122.03702	0.4
123.08075	0.7
123.11698	1.0
125.05998	1.9
125.09626	1.4
131.08598	0.6
133.02829	3.9
133.10107	1.6
134.03564	0.6
135.04274	0.5
135.08060	0.7
137.02341	2.7
137.05962	1.6
138.03127	7.7
145.02835	0.4
145.10078	0.7
147.04324	0.4
147.11609	0.5
148.01581	0.9
148.05220	0.5
149.01242	0.6
149.02348	7.9
149.05971	5.8
149.13264	0.8
150.03123	19.0
151.07535	0.7
151.11176	5.0
153.05461	3.2
153.09077	1.7
163.07520	1.0
165.01797	1.0
165.05498	3.1
166.02605	9.7
167.14310	5.9
167.36292	0.4
177.01831	26.4
177.05309	2.3
181.01353	0.4
181.04962	8.2
181.08519	1.1
191.03432	0.7
191.07043	0.8
191.10718	2.1
191.14328	1.0
194.02100	34.4
209.04436	100.0
209.15326	4.9
210.04752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0446
Annotation	Fraxetin
Peak:m/z	Relative Intensity
51.02388	0.3
53.03937	0.5
55.01862	0.5
55.05505	0.4
56.96550	0.3
62.26917	0.3
65.03947	1.8
66.04723	0.4
67.05512	0.3
67.92523	0.3
68.99769	0.7
69.07059	0.4
71.05012	0.4
77.03915	0.6
79.05491	3.1
81.03415	1.2
81.07034	0.6
82.04199	1.2
82.28489	0.3
82.94843	0.6
83.04974	0.9
85.02891	0.3
85.94597	0.3
91.05470	0.9
92.02595	0.3
93.03417	2.0
93.07043	0.5
94.04141	0.5
95.04977	2.0
97.02892	0.4
97.06532	0.6
99.04424	0.6
100.91369	0.3
101.23465	0.3
102.01002	0.2
103.05424	0.3
105.03378	1.4
105.04485	0.5
107.04946	1.4
107.08592	0.6
107.32640	0.2
109.02874	1.4
109.06507	0.5
109.10094	0.4
110.03662	3.7
111.04384	0.4
111.68736	0.2
119.04953	0.4
120.02089	0.9
121.02865	11.4
121.06516	1.0
121.10142	0.7
122.03633	0.5
123.04401	0.8
123.97481	0.3
125.02420	0.4
125.05971	2.1
131.04955	0.6
133.02841	4.4
135.04402	0.6
135.08090	0.4
137.02316	2.5
137.05948	0.6
138.03123	10.2
147.04381	0.4
148.01523	1.0
149.01292	0.5
149.02328	9.2
149.05992	2.5
150.03119	21.3
150.05478	3.8
153.05458	3.3
153.09073	0.4
160.60547	0.3
163.03905	0.6
163.07498	0.8
165.01826	0.7
165.05467	3.6
166.01187	0.6
166.02620	10.2
167.96446	0.3
171.06534	0.6
176.00943	0.4
177.01823	31.3
177.05370	0.9
178.02179	0.5
181.04944	26.6
182.05307	0.3
185.03207	0.3
185.97539	0.5
186.06123	0.7
191.03441	2.1
191.05202	0.3
191.07002	0.4
192.06441	0.3
194.02104	35.5
195.02486	0.4
204.07188	0.4
208.15320	0.5
209.04445	100.0
209.12852	1.4
209.15326	2.2
210.04803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0446
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
50.01583	0.3
51.02397	0.7
53.03938	0.6
55.01866	0.3
55.05516	2.2
57.07700	0.2
65.03936	3.5
66.04707	0.3
67.05502	0.7
68.99778	0.4
69.58594	0.9
70.75349	0.3
77.03927	3.1
79.01861	0.4
79.05492	3.5
80.48531	0.3
81.03426	0.6
81.07063	0.3
82.04185	0.8
83.04984	0.9
83.08624	0.9
89.03862	0.3
91.05476	0.6
93.03404	2.7
93.07011	0.7
94.04193	0.7
95.04966	2.7
97.06525	0.7
98.22678	0.3
100.11243	0.8
100.56296	0.3
103.05463	0.4
105.03395	4.7
105.04529	0.8
107.04953	4.1
107.08579	0.7
109.06510	0.8
109.10136	0.5
110.03660	1.6
111.04431	1.3
111.08042	0.4
119.04948	1.4
120.02081	0.9
121.02868	7.7
121.06522	0.4
121.10148	1.3
122.03648	0.6
123.04412	0.5
123.11747	0.3
125.05988	2.1
131.01294	1.1
131.08511	0.3
133.02852	45.8
133.10179	0.4
134.03209	0.4
135.04413	2.7
135.08031	0.4
137.02374	1.0
137.05978	2.9
138.03117	6.4
139.03879	0.9
147.04410	2.3
148.01556	0.8
149.02348	7.5
149.05998	0.9
149.13379	0.3
150.03122	26.7
151.03857	0.7
151.11206	0.7
153.05455	1.8
153.09050	0.4
159.00786	0.5
163.03902	3.2
163.07532	0.9
163.14780	0.3
165.05521	5.7
166.02614	7.9
166.03949	0.5
167.07021	0.4
167.14255	1.2
171.06499	0.5
176.01053	0.8
177.01828	100.0
178.02165	1.0
181.04951	28.1
191.03394	26.7
191.06982	0.7
191.14285	0.4
192.03795	0.3
194.02107	14.1
195.02269	0.3
209.04451	42.5
209.07941	1.6
209.15218	0.7
209.16809	0.5
210.04778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
51.02387	0.4
53.03928	0.5
55.01863	3.0
55.05508	6.8
57.03431	0.7
59.04985	0.6
65.03939	1.8
66.44661	0.4
67.05499	1.9
68.34867	0.4
68.99789	4.0
69.03431	1.3
69.07078	1.0
70.82932	0.4
71.01349	0.6
71.04979	0.5
77.03964	0.5
79.05484	2.4
81.03405	0.6
81.07056	2.1
81.49553	0.5
83.04974	9.4
83.08623	3.5
85.02939	0.5
85.06537	1.0
91.05471	9.0
93.03416	0.9
93.07056	3.7
95.04963	4.2
95.08615	3.5
97.02931	0.4
97.06522	1.6
97.10132	0.5
99.04418	0.8
103.05448	1.2
103.42957	0.4
105.04517	0.5
105.07040	2.0
107.04951	5.5
107.08591	3.4
109.06526	4.1
109.10127	2.2
111.04440	26.0
111.08075	1.4
113.02323	0.5
113.72478	0.4
115.05415	1.2
117.07008	3.6
119.04936	51.4
119.08567	0.7
121.02869	0.5
121.06510	4.2
121.10139	3.2
123.04419	3.1
123.08081	1.0
123.11707	0.7
124.05151	0.8
125.05977	0.6
125.09608	1.4
131.04907	1.1
131.08577	1.2
133.10124	1.6
135.04375	1.5
135.08049	7.4
137.05983	3.0
139.03894	54.1
139.07497	2.3
145.06491	4.0
145.10118	0.5
147.04399	100.0
148.04877	0.8
149.05978	8.2
149.13295	0.6
151.11171	4.5
153.05464	4.4
153.09100	1.0
155.03392	0.6
161.05925	0.7
162.06738	0.5
163.03908	6.3
163.07536	25.3
163.14795	1.1
164.07822	0.6
165.05470	74.1
166.05898	1.2
167.07036	6.0
167.14293	5.5
173.05972	1.8
173.13251	0.8
177.01814	0.6
177.05449	4.0
181.04941	0.8
181.08569	2.9
184.40483	0.4
191.07025	13.9
191.10657	2.9
191.14305	1.1
194.02048	0.7
194.05785	0.6
209.04456	1.7
209.08080	41.0
209.15318	5.9
221.61838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02397	1.0
53.03941	0.9
55.01867	2.5
57.03434	3.1
59.05003	4.5
64.51830	0.4
65.03935	3.5
67.05497	1.3
68.99792	6.7
71.04980	0.7
77.03918	2.8
79.01857	0.6
79.05489	4.1
81.03418	3.3
81.07056	6.0
82.04186	1.0
87.04464	0.8
89.06032	10.4
91.05480	3.6
92.62305	0.4
93.03416	3.4
93.07049	2.9
94.04178	0.8
95.04974	4.5
95.08621	1.9
97.06532	0.8
99.04443	0.9
101.67747	0.3
103.05460	2.6
103.07583	1.5
103.84249	0.3
105.03390	4.9
105.04519	1.3
105.07026	0.8
107.04961	8.0
107.07082	0.3
107.08577	0.5
108.43893	0.3
109.02881	0.4
109.06512	0.9
109.59245	0.3
110.03671	2.4
111.04440	2.5
117.07028	2.1
119.04929	1.7
120.02090	1.0
121.02870	7.5
121.06509	10.4
121.10150	0.4
122.03649	1.0
123.04433	22.0
125.05997	2.7
131.01280	0.8
131.04904	0.8
133.02852	42.1
133.08607	3.1
134.03226	0.3
135.04411	2.8
135.08070	3.9
137.02322	0.9
137.05980	3.9
138.03127	5.5
139.03934	1.8
145.04033	0.5
145.06454	1.4
147.04422	7.4
148.01524	0.6
148.05138	0.6
149.02364	7.4
149.05980	71.4
150.03119	27.2
150.06276	0.7
151.03844	0.5
153.05467	2.1
159.00851	0.4
163.03917	3.0
163.07549	18.7
165.04129	0.3
165.05484	7.4
166.02626	7.5
167.07031	2.9
173.05927	0.5
176.01060	0.6
177.01828	100.0
178.02161	0.8
181.04956	25.4
181.08501	0.7
191.03391	23.1
191.07022	11.5
192.03812	0.5
194.02100	13.2
209.04456	40.7
209.07910	8.0
209.15443	0.8
226.94455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
52.83097	0.3
55.01872	1.5
55.05513	3.9
57.03423	0.4
59.80709	0.3
65.03922	1.6
67.05495	1.3
68.99789	3.3
69.03416	0.8
69.07070	0.4
69.29821	1.7
71.01331	0.4
71.04996	0.6
79.05484	1.9
81.07053	0.9
83.04983	4.1
83.08613	0.9
85.02902	0.3
85.06535	0.4
87.34955	0.3
91.04964	0.3
91.05476	7.7
93.03412	0.6
93.07046	3.3
95.04976	1.5
95.08601	2.3
99.43895	0.3
105.07027	0.8
107.04951	5.4
107.08587	2.5
109.06509	0.9
109.10139	0.5
111.04440	25.1
115.05432	1.1
117.07005	2.9
119.04937	54.0
120.05315	0.5
121.06503	4.2
121.10133	3.3
123.04436	2.8
123.08102	0.5
125.02322	0.5
131.08582	0.9
132.02000	0.4
135.04424	1.1
135.08047	5.4
135.11656	0.4
137.05960	3.7
139.03894	53.7
139.07509	1.1
144.04602	0.3
145.06453	2.5
147.04401	100.0
148.04709	0.9
149.05986	5.3
151.07549	1.2
151.11102	1.0
153.05479	3.4
153.09059	0.4
159.08043	0.4
161.05997	1.1
162.06781	0.8
163.03906	6.6
163.07539	24.5
163.11205	1.0
163.14828	0.9
164.07858	0.6
165.05467	73.5
166.05844	0.7
167.07063	0.5
167.14345	2.0
173.05934	2.0
176.08284	0.5
181.04910	3.5
181.08603	2.2
191.07018	12.9
191.10649	7.8
209.04575	1.2
209.08081	40.3
209.11603	1.3
209.15288	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03949	3.0
53.10397	1.1
55.01869	9.3
55.05507	4.2
57.03422	4.0
57.07070	12.4
58.96386	1.1
59.91239	1.2
61.02952	1.4
62.58809	1.0
65.03947	10.1
67.05503	8.4
69.07057	1.6
70.57629	2.7
71.04982	1.6
75.04485	11.9
75.21970	1.0
77.03926	3.3
78.04710	12.2
79.05493	16.0
81.03408	3.8
81.07059	8.6
82.13819	1.1
82.57075	1.1
82.77001	1.3
83.08598	2.3
85.02910	8.4
85.06535	7.6
88.37447	1.1
89.03915	6.3
89.06001	2.8
91.05476	42.3
93.03402	28.6
93.07043	24.2
95.04966	22.2
95.08604	12.5
97.06529	9.1
102.52088	1.2
103.05466	14.8
105.03377	3.9
105.04509	4.9
105.07034	4.3
106.04169	75.7
107.04958	7.5
107.08603	6.8
109.06495	7.0
109.10127	1.5
110.03667	4.6
111.04427	2.5
111.08046	2.0
117.03381	2.6
117.07025	2.7
118.04128	2.1
119.04926	4.4
119.08572	3.1
120.05721	1.4
121.02876	10.1
121.06501	69.9
121.10116	2.9
122.03635	1.4
122.07280	1.7
123.04433	3.8
123.08065	4.4
124.05175	3.0
125.05997	20.3
131.04897	4.9
133.02855	3.3
133.06480	2.2
134.03625	11.5
134.38182	1.1
135.04395	3.4
135.08102	2.6
135.11697	9.0
137.02301	1.8
137.05986	10.6
138.03114	9.2
138.06744	4.0
139.07562	6.3
145.02835	4.4
145.10092	7.1
148.05202	7.9
149.02396	7.5
149.05977	96.3
149.09569	8.4
149.13313	1.8
150.03125	20.3
151.03896	1.8
151.07544	2.7
152.08377	1.2
153.05478	7.8
153.09094	26.3
163.07568	4.4
163.11191	8.1
165.05484	5.3
166.02623	7.8
166.06274	3.6
167.07034	1.5
177.01830	24.8
177.05458	35.0
181.04970	7.3
181.08588	19.4
191.03360	1.7
191.07062	4.8
191.14339	3.0
194.02112	32.0
209.04448	100.0
209.07909	15.9
209.11624	1.9
209.15390	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	209.0811
Annotation	Benzylsuccinate
Peak:m/z	Relative Intensity
51.02929	0.7
53.03957	1.0
55.01875	27.0
55.02141	1.5
55.05521	2.0
55.98728	0.6
57.03444	2.3
65.03620	0.7
65.03950	3.0
66.57234	0.7
67.05507	7.0
68.07661	0.7
68.99802	3.0
69.03471	1.0
69.09879	5.0
71.04964	0.7
77.03925	1.3
77.78141	0.7
79.05495	18.5
81.03430	3.1
81.07051	5.7
81.95387	0.7
83.05011	1.8
83.08640	1.4
83.94514	0.6
85.02906	1.1
91.05480	30.0
93.03436	2.4
93.07051	11.4
95.04973	9.2
95.08629	1.8
95.41985	0.8
97.02902	3.5
99.00825	1.4
99.39224	0.9
103.05460	4.5
105.03386	1.4
105.04510	1.1
105.07059	3.4
107.04952	13.7
107.08603	10.6
109.02901	1.7
109.06503	5.5
110.03661	0.9
111.04451	7.9
111.08089	1.0
115.05460	5.4
117.07021	28.6
119.04945	19.3
119.08588	26.2
121.02890	3.0
121.06514	22.2
121.10139	0.8
123.04417	6.2
123.08134	0.9
125.02393	1.0
125.06031	1.1
127.79366	0.7
129.07034	1.3
131.04947	1.7
133.02844	6.4
133.06517	1.0
135.04425	2.6
135.08057	38.7
137.05983	4.1
138.03099	1.2
139.03903	29.1
139.07570	1.4
141.28806	0.8
145.06491	25.2
147.04411	48.4
147.08044	22.2
148.04909	0.8
149.02350	2.7
149.05977	31.7
150.03127	5.5
153.05437	1.5
153.09065	3.1
155.06021	1.8
163.03951	6.2
163.07545	100.0
164.07851	1.2
165.05482	30.8
165.09097	3.9
166.02641	1.6
167.07059	4.7
173.05963	2.2
177.01836	16.6
181.04951	5.8
181.08582	12.7
191.03432	3.7
191.07034	52.7
194.02089	4.7
209.04506	15.8
209.08073	37.5
209.09680	0.5
209.15344	2.7
213.40910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Xanthostemone
Peak:m/z	Relative Intensity
57.07083	5.1
59.26559	0.7
65.03884	0.7
67.05489	3.8
68.36920	0.9
69.95300	0.8
71.04991	88.2
71.45501	0.9
73.24312	0.8
79.05481	3.7
81.07063	2.0
85.06541	3.1
91.05482	2.7
93.03400	1.2
93.07023	2.7
93.38394	1.0
95.04969	1.5
106.04158	2.8
107.04950	11.0
107.08572	1.8
108.05702	1.0
109.06500	1.8
111.08102	1.7
121.06513	14.6
123.04459	2.0
124.05199	2.7
125.05978	8.3
131.08540	4.4
135.04347	0.9
135.08075	1.6
137.04936	1.7
137.05975	24.5
138.06773	1.5
139.07539	88.0
141.06985	1.1
147.04393	1.4
149.05957	5.2
151.07533	3.0
153.05453	5.1
159.08070	1.4
160.08774	1.5
161.05940	1.6
162.06754	3.9
163.07582	4.0
163.11182	4.2
165.09116	1.8
167.07027	3.2
175.07628	1.3
176.08388	4.9
177.05540	1.6
191.10661	32.1
191.14357	1.4
209.11720	100.0
209.72189	0.8
221.40581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	nocapyrone G
Peak:m/z	Relative Intensity
53.03942	1.8
55.01863	3.7
55.05516	8.4
57.03424	1.9
57.07063	2.5
65.03941	9.5
67.05508	13.9
67.74046	0.8
68.99781	2.2
69.03425	1.3
69.07056	1.7
71.04975	3.2
75.39082	0.8
79.05499	5.9
81.03389	2.8
81.07070	4.2
82.04180	2.7
83.01330	2.8
83.04984	7.9
83.08612	4.5
85.02901	5.1
85.06544	5.9
91.05474	9.9
93.03391	2.8
93.07021	6.3
95.04965	9.9
95.08598	2.1
97.06525	5.2
97.10139	1.2
103.05453	3.9
105.03354	0.9
105.04512	1.1
105.07027	4.6
107.04937	8.3
107.07944	0.9
107.08585	6.1
109.06510	6.4
109.10149	2.1
110.03666	4.5
111.04446	6.7
111.08101	1.1
116.06261	1.3
117.07019	5.0
119.04934	11.7
119.08555	1.6
120.41689	0.9
121.06503	15.9
121.10146	5.5
123.00787	1.1
123.04410	3.6
123.08049	1.5
125.05984	5.6
125.09623	1.7
129.06978	1.8
131.04878	1.3
131.08569	10.0
133.10100	3.2
135.04430	1.8
135.08032	7.4
137.05975	45.8
138.03122	3.2
139.03889	12.2
139.07530	1.1
145.06442	1.8
145.10110	3.2
147.04414	22.7
149.01172	1.5
149.02321	1.3
149.05995	8.5
149.09615	4.9
149.13217	1.6
150.03116	1.7
151.07535	9.9
151.11156	4.6
153.01810	2.0
153.05464	8.3
153.09044	1.5
158.07278	1.2
159.08055	2.8
160.08823	2.8
161.06030	4.4
162.06731	6.8
163.03867	1.5
163.07542	27.3
163.11137	9.0
165.04311	0.8
165.05484	15.7
165.09087	1.1
166.02638	2.2
167.07027	14.7
167.14314	6.3
171.06506	8.5
173.05888	1.2
173.09610	2.0
175.07455	1.1
176.08319	12.8
177.01804	2.9
177.05434	2.9
177.09059	1.7
179.07053	4.0
181.04951	100.0
181.08519	3.1
182.05313	1.1
191.07050	6.4
191.10666	94.3
194.02113	4.9
207.09671	0.9
209.04510	16.4
209.08064	41.7
209.11670	16.8
209.15317	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.40356	1.0
53.03935	2.2
55.01872	6.4
55.05506	8.0
57.03432	4.2
57.07072	2.5
65.03960	1.2
67.05501	12.6
69.03415	4.1
69.03779	1.0
69.07066	18.1
69.08661	3.0
69.09067	3.9
71.04993	19.1
75.01189	0.9
76.13145	1.0
77.03905	1.7
79.05492	41.9
79.05951	2.3
81.03409	7.0
81.07055	16.1
83.01334	2.3
83.04980	7.7
83.08626	1.3
85.02917	1.2
85.06537	2.1
91.05481	23.6
93.03399	1.6
93.07042	40.2
95.04962	10.0
95.08604	9.4
97.06541	7.8
99.04430	1.0
99.08072	1.9
103.05464	3.9
103.83792	1.1
105.04507	1.5
105.07030	24.4
107.04952	17.5
107.08588	53.5
109.06531	6.0
109.10166	3.9
110.03674	1.1
111.04435	3.3
111.08093	5.1
116.06279	1.6
116.50824	1.1
117.07014	8.4
119.04974	1.5
119.08576	9.4
121.02898	2.3
121.06504	37.4
121.10146	27.8
123.08051	4.4
123.97488	1.2
125.06011	7.2
125.09631	3.1
127.67554	1.3
129.07010	6.0
130.07780	3.1
131.04860	1.9
131.08568	100.0
133.06461	1.7
133.10114	2.1
135.04396	1.4
135.08069	7.2
135.11708	6.1
137.05968	2.2
138.03094	1.8
139.03900	4.3
139.07544	6.2
141.05478	2.1
143.08565	1.3
145.10120	32.3
147.04433	1.5
147.08022	3.7
147.11667	3.0
149.02356	2.3
149.05988	9.0
149.09613	70.9
149.13248	6.3
150.03136	4.4
151.07565	2.1
151.11214	1.7
153.05464	13.0
153.09108	2.6
155.07047	1.2
161.13281	1.3
163.07584	5.9
163.11180	30.9
163.14806	3.8
165.05499	1.4
165.09108	2.8
165.12767	2.3
166.02600	2.2
167.07060	11.5
167.10651	4.2
167.96323	1.1
173.09628	3.3
173.13240	5.0
177.01842	6.3
177.05443	2.2
181.04921	5.6
181.08604	3.1
185.97475	1.4
191.07028	3.0
191.10658	33.6
191.14282	6.3
194.02075	8.2
209.04448	23.0
209.08116	8.6
209.11728	54.5
209.15256	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	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
55.01865	1.8
55.05494	1.3
57.07073	100.0
65.03950	2.4
67.05498	1.3
69.07085	0.9
71.04987	1.9
75.04474	1.1
78.04714	2.5
79.05472	2.4
81.03431	1.1
81.07052	3.1
85.02918	2.4
85.06539	53.1
89.03913	1.5
91.05479	8.5
93.03399	4.7
93.07050	5.9
95.04954	3.1
95.08603	1.3
97.06502	1.8
103.05469	3.2
105.04517	1.0
105.07028	4.0
106.04171	13.0
107.04935	1.6
107.08601	2.0
109.06514	1.9
110.03686	0.9
111.08080	1.1
117.03371	1.3
121.06495	12.6
121.10142	2.0
125.05987	6.0
131.04910	1.2
134.03581	2.2
135.11684	1.5
137.05965	3.3
139.07532	3.4
145.10127	2.9
148.05173	1.6
149.05971	16.6
153.05420	1.6
153.09109	5.4
163.11150	6.3
177.01648	1.3
177.05502	6.7
181.08582	4.1
191.10675	1.8
191.14307	1.6
208.20630	1.9
209.04459	3.0
209.08101	3.4
209.11723	17.0
209.15256	5.3
209.20972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Xanthostemone
Peak:m/z	Relative Intensity
55.01859	0.4
57.03426	0.3
57.07076	100.0
58.07431	0.5
65.03943	0.5
67.05502	0.5
67.46938	0.3
69.44442	1.4
71.04979	0.7
78.04709	0.3
79.05492	0.4
85.02921	0.6
85.06544	53.9
89.03909	0.4
91.05495	2.0
93.03400	1.4
93.07056	1.0
95.04984	0.8
97.06512	0.4
103.05422	0.8
105.04497	0.3
106.04191	3.7
107.04946	0.8
110.03712	0.3
121.00792	0.3
121.06496	3.6
121.10138	0.7
125.05992	4.1
125.09606	0.3
134.03635	0.6
135.08046	0.4
137.05983	0.8
138.06729	0.3
139.07567	1.5
147.04469	0.3
149.05981	3.7
149.09586	2.2
149.13181	0.4
153.05460	1.0
153.09171	1.5
165.09132	0.6
177.05429	1.7
181.08522	1.1
186.89706	0.3
191.10645	0.9
191.14233	0.4
209.06192	0.3
209.11731	16.0
209.15295	1.2
219.04131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03930	3.9
55.01876	8.7
55.05265	3.2
55.05512	48.2
57.03425	6.4
57.07070	5.2
59.04993	4.6
59.30724	1.4
61.02903	1.8
65.03952	3.0
67.05504	16.4
69.03416	6.6
69.07068	23.0
69.58968	4.2
71.04992	29.1
72.71267	1.3
77.03927	3.2
78.04699	2.3
79.05492	46.5
81.03407	4.1
81.07061	19.3
83.04976	50.6
83.08617	25.2
85.02904	1.8
85.06524	3.1
91.05476	34.7
93.03393	3.2
93.07043	53.5
95.04966	81.9
95.08604	9.0
97.06539	15.3
97.10159	5.8
99.04443	13.9
99.08089	2.1
101.32858	1.7
103.05456	5.8
105.04515	2.0
105.07027	31.0
106.04163	10.6
107.04954	17.4
107.08591	70.1
109.06521	21.3
109.10151	16.9
111.04453	4.3
111.08083	10.1
113.02354	2.1
113.09662	2.0
115.05386	2.4
115.27355	1.4
116.05424	1.7
116.06210	4.1
117.07008	6.8
118.64774	1.9
119.04937	1.9
119.08565	10.7
121.06508	46.3
121.10135	65.4
123.04470	2.8
123.08072	7.8
123.11682	8.1
125.05982	11.2
125.09630	10.3
126.01060	3.2
129.06995	3.3
130.07759	5.1
131.04950	2.1
131.08563	100.0
133.10127	15.3
135.04445	3.5
135.08083	4.4
135.11688	9.3
137.05949	4.0
139.07538	2.9
139.11197	2.8
141.05466	3.6
145.10120	38.0
147.04367	2.3
147.08046	4.9
147.11700	4.6
149.05991	20.6
149.09615	77.2
149.13289	5.4
150.03133	2.2
151.11165	27.6
151.36047	1.7
153.05458	13.0
153.09096	23.8
157.36130	1.5
163.07527	2.3
163.11180	29.3
163.14783	7.5
163.97775	1.7
165.09172	2.6
167.07047	5.8
167.10681	3.3
167.14310	47.7
173.09660	4.5
173.13252	4.8
177.01808	1.9
177.05441	10.1
181.04903	2.5
181.08533	2.4
185.97395	1.7
191.07083	3.5
191.10654	37.2
191.14297	11.8
194.02136	2.9
209.04355	9.9
209.06181	3.3
209.08128	10.0
209.11729	61.8
209.15323	41.9
209.17223	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03936	1.6
54.99444	0.3
55.01867	2.2
55.05507	5.0
55.14550	0.3
57.03429	1.5
58.29350	0.3
64.68124	0.3
65.03932	0.5
67.05502	3.2
69.03422	3.5
69.07066	1.4
71.04993	2.6
73.36867	0.3
77.03912	0.5
79.05490	11.5
81.03419	2.3
81.07053	36.3
82.07371	0.4
83.04983	2.7
85.06535	0.6
91.05473	6.4
93.07040	22.3
95.04968	3.3
95.08604	2.1
97.06515	1.5
99.04442	1.5
101.06021	0.5
103.05474	0.7
105.07027	41.5
106.04152	0.5
107.04948	1.9
107.08587	21.1
109.06510	4.2
109.10181	0.4
117.07003	5.6
119.08578	9.0
121.05613	0.7
121.06503	13.1
121.10144	11.1
123.08038	0.9
125.05962	0.3
129.06941	0.3
130.07793	4.1
131.08556	1.1
133.06461	0.5
133.10133	0.7
135.08057	4.2
135.11690	11.8
136.58919	0.3
137.05986	0.3
139.07562	0.5
143.08607	1.4
145.10120	39.7
146.10536	0.3
147.11688	1.9
149.05946	1.4
149.09573	2.2
151.07495	0.8
158.07271	0.4
160.58847	0.3
162.70311	0.3
163.11172	100.0
164.11464	0.9
173.09610	2.8
177.05466	0.3
181.12289	0.7
191.10664	10.7
191.12428	0.5
208.20689	0.3
209.11708	6.0
209.15216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Xanthostemone
Peak:m/z	Relative Intensity
55.05511	0.2
57.07076	100.0
58.07426	0.3
59.19943	0.2
69.54994	0.3
69.55378	0.4
71.04999	0.8
84.25964	0.2
85.06543	48.1
91.05432	0.3
95.05011	0.2
107.04944	0.3
110.03710	0.2
121.06528	0.4
125.05993	2.4
137.05968	0.6
139.07532	1.0
149.05983	0.3
151.07513	0.3
153.05476	1.0
153.09058	0.3
165.09085	0.2
176.08354	0.2
191.10677	0.9
198.65565	0.2
206.56081	0.2
209.11729	13.5
209.86142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	nocapyrone G
Peak:m/z	Relative Intensity
53.03951	1.0
54.22669	0.7
55.01881	2.0
55.05513	6.6
57.03443	3.3
57.07079	4.4
59.05003	2.2
65.03947	2.2
67.05502	22.9
69.03443	1.7
69.07066	5.8
70.83712	0.7
71.04993	5.1
77.03949	1.3
78.04716	1.2
79.05496	13.4
81.07054	28.3
81.91792	0.7
83.05002	2.7
83.08627	4.0
85.02917	1.0
85.06540	7.1
85.10181	0.8
91.05477	14.4
93.03418	1.3
93.07043	12.7
95.04971	17.6
95.08607	10.1
97.06531	27.0
99.04457	3.0
99.08094	0.7
103.05466	4.4
105.04510	0.9
105.07024	12.4
106.04176	4.1
107.04958	14.3
107.08597	20.9
109.06516	91.0
109.10160	18.9
110.03672	1.2
111.08060	4.2
113.06026	0.9
113.09650	0.9
115.05466	1.5
116.06206	1.1
117.07046	3.1
119.04977	1.1
119.08585	4.8
121.02866	0.9
121.06502	16.8
121.10141	14.4
123.04462	3.5
123.08053	4.2
123.11716	1.7
125.05987	7.0
125.09614	1.6
129.07030	1.4
131.04922	3.5
131.08565	17.3
133.06471	1.5
133.10126	34.7
134.03604	1.3
135.04500	1.0
135.05498	1.1
135.08051	15.3
135.11696	2.1
137.05974	100.0
138.03114	0.9
138.06261	0.9
139.03951	0.8
139.07571	1.1
141.06949	0.8
143.08601	1.2
144.05678	1.1
144.09375	0.9
145.06491	2.1
145.10097	3.6
147.04413	3.5
147.11687	2.1
148.05179	2.1
149.05988	9.6
149.09598	5.4
149.13249	9.2
151.07616	1.1
151.11168	3.2
153.05496	0.9
153.09105	20.2
158.07304	1.5
158.10927	1.7
159.04422	1.8
159.08031	3.6
160.08818	3.1
161.05984	4.7
162.06775	6.9
163.07541	35.1
163.11171	6.7
163.14810	4.4
165.12704	0.9
167.14326	2.3
173.13260	17.1
175.07579	1.6
176.08301	9.3
177.05444	3.8
180.07806	0.8
181.05003	0.8
181.08614	0.9
191.10664	67.1
191.14287	17.9
194.02110	2.0
209.04424	4.3
209.08112	5.2
209.11755	19.8
209.15332	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	nocapyrone G
Peak:m/z	Relative Intensity
53.03885	0.7
53.40398	0.3
55.01799	0.6
55.05424	1.4
57.07006	0.8
59.04931	0.6
65.03874	0.6
67.05406	2.6
68.99747	0.3
69.03331	4.1
69.03745	0.7
69.06973	2.0
69.99004	0.7
71.04898	3.7
77.03849	0.5
78.04660	0.5
79.05398	2.4
81.03320	3.6
81.06960	4.0
83.04964	2.0
83.08557	0.6
85.06448	10.9
85.06989	0.7
89.98453	0.3
91.05481	6.8
91.05976	0.5
93.03308	0.8
93.07038	3.8
95.04967	4.3
95.08606	4.0
97.06457	0.7
99.04380	0.4
99.08017	0.7
103.05444	1.7
105.04455	0.6
105.07018	3.1
106.04084	1.2
107.04955	2.0
107.08592	4.9
107.22740	0.3
108.05647	1.0
109.06517	6.4
109.10062	1.1
109.93700	0.4
111.08006	0.9
112.00040	0.3
116.06181	0.4
117.06902	0.5
119.04965	1.6
119.05601	0.3
119.06023	0.3
119.08595	2.2
121.06506	6.7
121.10144	6.8
123.04359	1.2
123.08066	9.5
123.11712	3.4
125.05993	1.6
125.09538	0.6
129.06992	0.7
131.07671	0.4
131.08563	5.8
133.06451	1.6
133.10054	0.7
135.04402	0.5
135.08034	3.0
136.05106	1.3
137.05969	8.2
137.09630	1.8
137.13173	0.8
139.07526	2.0
144.05653	0.5
145.10080	0.4
147.04349	1.2
147.11671	1.8
148.05147	0.5
149.05077	0.3
149.05991	3.6
149.08527	0.6
149.09615	9.4
149.13260	3.3
150.03049	0.8
150.06580	0.3
151.07538	37.0
151.11115	2.8
152.07848	0.4
153.05437	0.7
153.09048	0.7
158.07228	0.7
159.08052	2.4
160.08781	1.4
161.05977	1.8
162.06761	3.2
163.07506	3.7
163.11169	4.1
163.14810	0.3
165.12747	42.5
167.14423	0.4
173.09560	0.5
173.13287	0.8
175.07520	0.4
176.08331	6.4
177.01767	1.2
177.05473	1.0
181.04930	0.4
189.09189	0.5
191.10658	100.0
192.10982	1.0
194.02087	1.4
203.62901	0.3
209.04419	4.3
209.11746	26.4
209.15338	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	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.4
52.49753	0.5
53.03915	2.2
55.01867	4.8
55.05511	22.6
57.03406	2.0
57.07050	1.4
59.05005	5.0
65.03938	4.4
67.05504	5.9
68.99777	5.2
69.03391	2.0
69.07082	3.7
69.75105	1.2
69.75462	1.3
71.04967	2.9
73.83212	0.7
75.02333	0.7
77.03909	2.6
79.01836	0.8
79.05497	10.3
80.12074	0.6
81.02969	0.7
81.03413	10.1
81.06642	0.9
81.07056	11.9
83.04980	27.3
83.08621	15.9
85.02894	1.5
85.06521	1.9
87.04445	1.0
88.50319	0.6
89.05539	0.9
89.06033	12.9
91.05473	10.7
93.03400	3.3
93.07046	11.3
94.04173	0.9
95.04970	18.2
95.08606	6.1
97.02840	0.7
97.06553	3.9
97.10139	2.7
99.04464	3.6
99.08043	0.8
101.94625	0.7
103.05453	4.3
103.07544	0.7
105.03400	5.3
105.04488	2.1
105.06426	0.8
105.07036	7.2
107.04958	6.9
107.07042	0.8
107.07944	0.7
107.08602	11.9
109.02817	0.8
109.06518	11.2
109.09427	0.7
109.10154	8.7
110.03627	2.7
111.04454	5.0
111.05125	0.8
111.08102	4.6
113.09628	0.8
115.05458	1.0
117.07008	8.2
119.04933	6.6
119.08565	3.0
119.27411	0.7
120.02077	1.8
120.08154	0.6
121.02869	8.0
121.06506	10.4
121.10142	11.4
123.04425	14.8
123.08002	2.1
123.11707	3.0
125.02348	1.0
125.05956	1.8
125.09651	6.1
131.04881	2.2
131.08514	2.3
133.02852	43.8
133.06557	0.9
133.08565	3.8
133.10135	6.1
134.03238	0.6
135.04436	4.9
135.08057	11.3
135.11679	1.0
137.02348	1.2
137.05986	4.4
137.09563	0.8
138.03125	6.0
139.03900	6.3
139.07538	0.9
145.06499	5.0
145.10109	1.5
147.04413	13.5
148.01544	1.1
148.04807	1.4
149.02359	8.8
149.05974	44.0
149.09598	1.4
149.13268	4.3
150.03114	28.9
151.09880	1.5
151.11176	14.8
153.05420	2.9
153.09105	6.2
155.06041	1.0
163.03911	4.5
163.07541	22.4
163.14822	2.5
165.05490	12.1
166.02626	9.0
167.07022	12.4
167.14314	21.4
168.06476	0.8
173.05997	0.7
173.13219	3.3
177.01825	100.0
178.02177	2.0
181.04958	25.5
181.08488	5.4
191.03392	27.1
191.06993	10.7
191.14328	4.3
194.02107	14.7
209.04459	43.9
209.08017	16.0
209.15376	18.0
210.04865	0.8
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
52.06154	0.9
53.03954	2.5
55.01858	3.4
55.05512	86.4
57.03437	1.5
57.07064	2.2
59.04996	3.4
67.05505	8.1
69.03430	5.3
69.07067	6.3
69.08105	2.2
69.08517	3.6
71.05000	5.2
74.18435	1.0
75.04465	1.2
79.05481	4.0
81.06621	1.7
81.07058	14.2
81.99386	0.8
83.04983	100.0
83.08619	51.0
85.06530	3.4
90.86920	0.9
91.05495	5.4
93.03392	1.7
93.07046	10.6
95.04948	4.8
95.08612	8.9
97.06532	9.5
97.10169	11.0
98.22624	1.8
99.08081	1.3
105.04493	1.2
105.07025	5.9
106.04166	5.2
107.04906	1.4
107.08594	25.3
109.06528	8.7
109.10162	24.0
111.08081	10.7
112.08861	1.0
113.09630	2.2
119.08573	2.3
121.02913	1.6
121.06507	6.2
121.10134	9.3
123.08044	1.6
123.11707	13.9
125.05971	2.5
125.09642	15.5
131.08553	3.3
133.10132	8.7
135.08054	2.3
135.11682	1.5
137.05992	1.6
138.03218	1.1
145.10158	1.2
148.88120	1.0
149.02390	1.7
149.05988	6.2
149.09636	1.3
149.13243	8.4
150.03163	1.8
151.11179	55.6
153.05507	2.4
153.09090	4.0
163.07597	1.9
163.11156	1.3
163.14845	1.0
166.02655	1.5
167.14320	92.8
168.14687	1.0
173.13246	3.5
177.01860	3.0
177.05449	3.1
181.04971	1.2
181.08664	1.3
191.10632	4.9
191.14299	4.2
194.02122	5.6
209.04242	12.2
209.05980	7.2
209.08009	1.7
209.11974	1.9
209.15373	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.0
55.01875	3.9
55.05511	20.8
57.03434	0.6
57.07078	2.6
59.04993	0.5
65.30684	0.6
67.05505	10.2
67.92513	0.7
69.03441	1.0
69.07069	3.1
69.68953	1.1
71.05001	0.7
79.05495	7.2
81.07056	13.6
82.94834	1.3
83.04981	100.0
83.08617	2.5
85.06534	2.0
91.05479	3.4
93.07045	17.7
95.04971	1.3
95.08025	0.8
95.08607	13.4
97.06547	1.3
97.10187	1.4
99.08102	0.6
105.07034	1.8
107.08595	13.3
109.06547	0.8
109.10150	3.6
111.08070	6.7
117.07042	1.1
119.08585	1.2
121.06502	0.8
121.10144	8.7
123.08067	0.6
123.11697	1.3
123.97453	1.9
125.09640	1.8
128.28540	0.5
128.82719	0.5
131.08577	2.6
133.10153	1.2
135.08066	3.2
135.11699	1.5
139.07590	0.6
144.94807	0.9
145.10162	1.3
147.11694	1.0
149.09613	1.6
149.13248	7.6
153.09119	1.2
162.95915	1.4
163.11174	0.5
163.14822	7.9
167.10742	0.6
167.96454	1.3
173.13261	2.4
181.15892	1.4
185.97475	2.9
191.14322	4.4
209.15358	9.0
211.87843	0.5
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
51.02380	0.8
53.03935	2.3
55.01861	3.3
55.05508	40.6
57.03423	2.5
57.07069	2.0
59.04993	1.9
60.04519	1.0
65.03942	1.8
67.05502	9.9
69.03428	3.0
69.07063	14.1
69.80708	1.8
71.04990	11.9
75.78403	0.7
77.03927	1.2
78.04717	1.1
79.05042	1.5
79.05488	21.3
81.03419	1.9
81.07051	15.2
83.04975	34.6
83.08616	25.6
85.02906	1.3
85.06527	3.0
91.05470	17.2
93.03390	1.9
93.07043	40.7
93.76026	0.7
95.04962	38.1
95.08610	7.6
97.06536	8.3
97.10155	3.7
98.23470	0.9
99.04458	7.1
99.08065	1.6
103.05457	2.8
105.04510	1.3
105.07023	13.0
106.04160	4.4
107.04958	7.3
107.08588	45.3
109.06509	20.1
109.10148	12.7
111.04436	2.2
111.08080	7.3
113.09648	1.3
115.05374	0.8
115.07536	0.8
117.06998	3.4
119.04996	1.8
119.06026	1.5
119.08575	6.8
121.02853	3.0
121.06508	13.2
121.10137	100.0
123.04417	1.9
123.08076	4.5
123.11713	4.6
125.05967	3.6
125.09633	7.4
126.01042	1.9
129.07054	1.1
130.07709	1.3
131.04921	2.3
131.08563	29.5
133.10126	13.8
134.03668	0.9
135.04425	1.1
135.08078	4.4
135.11682	7.4
137.05984	1.5
138.03085	1.8
138.87788	0.7
139.03879	1.4
139.07516	1.8
139.11189	1.5
145.06525	1.3
145.10121	10.8
147.04393	2.7
147.08032	1.6
147.11688	2.4
149.02377	2.0
149.05988	7.2
149.09604	19.7
149.13281	5.1
150.03105	3.4
151.11168	24.8
153.05518	5.4
153.09096	16.3
159.04362	1.0
163.07507	2.9
163.11195	6.3
163.14799	18.4
165.05418	2.9
165.09126	1.1
166.02609	2.2
167.07043	14.2
167.10634	1.2
167.14308	35.0
168.96277	0.7
173.13203	6.3
177.01839	5.5
177.05469	5.3
179.26888	0.7
181.04935	5.8
181.08531	1.2
191.07018	2.3
191.10631	11.2
191.14305	15.9
194.02101	8.5
194.05824	1.0
196.57097	0.7
209.04402	22.1
209.06281	1.2
209.08011	4.6
209.09767	0.6
209.11728	14.6
209.15343	41.0
210.11356	0.8
216.00920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.2
54.98402	0.7
55.01863	1.9
55.05506	5.6
57.03422	3.6
57.07074	5.4
59.04979	1.3
65.03917	2.2
67.05502	25.3
69.03403	1.6
69.07059	6.3
71.04989	6.2
75.04490	0.9
77.03905	1.1
79.05486	16.0
80.83861	0.8
81.07053	25.8
83.01330	1.0
83.04968	3.3
83.08630	4.8
85.02912	0.9
85.06537	7.4
91.05476	14.2
93.03399	1.8
93.06522	1.3
93.07043	16.0
94.04147	1.0
95.04414	1.3
95.04971	17.8
95.08608	13.0
97.06530	27.7
99.04443	2.4
99.08081	1.2
103.05472	4.3
105.04477	1.0
105.07027	12.9
106.04150	3.6
107.04957	11.9
107.08587	17.8
109.06512	95.1
109.09420	1.3
109.10150	21.4
110.03654	0.8
111.08093	5.1
113.05994	1.9
113.09674	0.9
115.05452	1.2
116.06248	0.8
117.07003	3.3
119.06102	0.8
119.08575	4.1
121.06497	17.4
121.10135	16.8
123.04388	2.6
123.08084	4.1
123.11706	1.3
125.05996	6.8
125.09612	2.3
129.06996	1.9
131.04958	3.7
131.08551	17.3
133.06470	1.7
133.10126	34.4
134.03584	1.2
135.08049	16.1
135.11610	1.6
137.05968	100.0
139.03929	0.8
139.11194	0.9
143.08531	1.9
144.05685	1.2
145.06459	2.2
145.10097	4.8
147.04401	3.3
147.11635	3.7
148.05116	1.3
149.05978	8.8
149.09601	6.3
149.13237	9.2
150.03114	1.3
151.07533	1.3
151.11143	1.8
153.09100	21.0
158.07254	1.2
158.10907	2.5
159.04391	1.3
159.08020	3.5
160.08777	2.5
161.06001	5.7
162.06786	5.9
163.07533	37.5
163.11168	7.3
163.14787	5.1
167.07004	0.9
167.14291	2.6
173.09656	0.8
173.13275	14.8
175.07542	1.7
176.08315	10.5
177.01834	1.2
177.05475	4.0
181.08574	1.3
189.09114	1.5
191.10660	73.5
191.14297	19.2
192.11066	1.0
194.02040	1.4
209.04420	4.9
209.08066	7.1
209.11739	22.0
209.15334	30.8
225.69186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01878	0.8
55.05510	33.0
57.07059	1.1
59.04991	2.0
59.14635	0.7
65.03944	0.8
67.05500	3.7
69.03436	1.4
69.07065	7.4
69.74428	1.6
69.74818	1.4
71.04975	2.0
77.03889	1.0
78.07993	0.9
79.05493	8.0
80.59944	0.7
81.07047	7.7
83.04978	27.2
83.08618	19.9
85.06532	1.7
91.05478	5.9
93.07043	26.8
95.04971	18.6
95.08615	6.0
97.06538	4.2
97.10162	4.5
98.22719	1.0
99.04448	3.7
103.05510	0.9
105.06999	4.8
107.08588	31.1
109.06527	11.3
109.10162	9.7
111.04430	5.3
111.08061	4.5
112.08919	1.0
119.04941	8.2
119.08570	2.7
121.10140	100.0
123.08089	1.8
123.11700	4.3
124.30750	0.8
125.09599	3.9
131.08554	1.8
133.07617	1.1
133.10109	6.3
135.08029	2.5
135.11682	3.5
137.06003	0.8
139.03914	9.1
145.10162	1.0
147.04402	16.1
149.06006	1.5
149.13280	4.1
151.11182	20.0
153.09102	8.4
163.03981	0.9
163.07542	3.9
163.14812	20.0
165.05463	12.1
167.14310	28.6
167.15698	1.9
173.13223	3.7
191.06956	2.5
191.10635	1.7
191.14323	10.4
209.08086	7.0
209.15356	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03935	3.1
55.05511	98.1
55.34774	1.4
57.03411	2.2
57.07062	4.4
59.04996	4.6
67.05511	11.2
69.03431	7.8
69.07053	7.6
69.80692	5.2
71.04980	4.0
79.05490	8.8
81.07053	23.5
83.04980	100.0
83.08619	54.1
85.06533	5.8
91.05457	5.6
93.07024	14.5
95.04968	12.8
95.08607	11.7
97.06528	19.3
97.10170	10.4
99.04468	1.8
99.08074	2.4
105.07038	8.8
107.06434	1.5
107.08600	30.4
109.06515	44.7
109.10151	34.7
111.04452	1.6
111.08078	15.9
113.05967	2.1
113.09663	3.3
119.08560	4.6
119.19938	1.6
121.06512	2.6
121.10139	19.0
123.08034	4.0
123.11713	13.0
125.09620	22.1
131.08563	6.4
133.10114	15.6
135.08028	6.1
137.09584	1.9
145.10106	3.6
147.11726	2.1
149.09605	5.8
149.13229	12.6
151.11179	66.0
153.09134	10.2
163.14795	4.5
164.58617	1.9
167.14313	98.4
173.13246	9.9
191.14281	14.1
209.04436	2.5
209.15358	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	1.2
55.01867	1.0
55.05511	5.9
56.96533	1.0
57.07076	38.9
57.33432	0.9
59.14513	1.0
60.23344	1.0
61.44244	1.0
67.05499	6.3
69.03429	8.3
69.07063	4.1
69.23805	5.3
75.04491	1.1
79.05492	7.2
79.89526	1.1
81.07053	13.4
83.04980	2.9
83.08622	1.4
85.06540	23.9
87.28637	1.0
91.05461	10.2
93.03429	1.3
93.07056	5.5
95.04971	3.4
95.08588	3.4
97.06518	1.5
98.23489	2.0
105.07033	7.8
106.04166	2.6
107.04921	1.8
107.08592	26.7
109.06521	14.3
109.10143	9.2
111.08085	1.9
115.05463	4.3
117.07026	4.2
117.40813	1.3
119.06087	1.2
119.08582	4.3
119.81366	1.0
121.06489	4.5
121.10133	19.3
122.07266	6.8
123.08071	3.3
123.11691	1.2
125.06020	2.7
125.09599	5.6
131.08556	3.2
133.10127	100.0
134.10316	1.1
135.08049	24.5
135.11668	2.3
137.06062	5.1
137.09616	77.3
145.10112	2.4
147.11710	3.3
149.05995	4.1
149.09599	2.3
149.13258	18.2
151.11172	3.0
153.09094	2.6
158.10970	1.7
160.22667	1.1
163.11206	1.4
163.14835	3.5
165.12790	2.6
173.13266	8.1
177.05420	1.7
181.08574	1.8
191.10768	6.1
191.14314	13.4
195.88785	1.0
209.04485	3.8
209.07991	1.2
209.11844	7.4
209.15364	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	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97068	1.3
53.03953	2.5
55.01865	2.0
55.05511	100.0
57.03416	1.7
57.07072	2.7
59.04992	6.7
65.03935	5.0
67.05505	7.6
69.03422	5.2
69.07062	6.3
69.15404	6.4
69.15812	3.0
71.04988	3.1
77.03903	2.5
79.05488	9.1
81.03405	2.1
81.07050	10.2
82.06573	24.7
83.04977	44.1
83.08617	67.1
83.30395	1.6
84.08129	6.6
85.06527	2.7
89.06024	3.1
91.05477	8.1
93.03417	2.6
93.07050	19.6
95.04963	31.6
95.08605	7.5
97.06535	8.4
97.10152	6.1
98.09657	1.6
99.04428	3.8
100.11253	82.6
103.05446	2.3
103.07565	3.0
105.03387	3.9
105.07017	6.8
107.04936	3.4
107.08588	25.4
109.06533	13.0
109.10152	20.5
110.06039	15.9
111.04448	5.8
111.08071	7.5
117.06991	2.0
119.04929	11.1
119.08566	2.7
121.02846	6.5
121.06495	5.1
121.10143	52.4
123.08057	1.9
123.11739	7.2
125.05947	2.3
125.09611	10.2
127.08679	8.6
128.07057	2.5
131.04956	2.2
133.02849	26.8
133.10139	7.3
135.04433	3.2
135.08040	6.7
137.05972	2.2
138.03136	3.9
139.03908	7.7
139.07617	1.9
139.08630	19.7
147.04388	17.5
149.02339	4.4
149.05980	9.4
149.13261	5.4
150.03108	17.9
151.10031	2.7
151.11179	33.9
153.05447	2.9
153.09102	10.6
157.06984	1.6
163.03848	3.1
163.07550	8.4
163.14786	10.4
165.05453	19.2
166.02617	5.8
167.07057	3.8
167.14314	50.9
173.13228	4.6
177.01822	67.7
177.05415	9.1
181.04971	17.9
191.03357	16.2
191.07030	5.2
191.10652	1.7
191.14313	7.8
194.02089	10.4
209.04446	35.3
209.08031	14.8
209.15007	11.0
209.16801	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05513	4.9
67.05505	4.6
69.03429	5.7
69.07066	3.7
70.67648	2.3
79.05492	4.9
81.07053	10.1
83.88599	1.5
91.05477	8.7
93.07034	3.4
95.04982	1.9
95.08611	1.5
105.07016	8.8
106.04156	1.7
107.04934	1.5
107.08596	19.6
108.04466	1.2
109.06512	9.8
109.10150	9.5
115.05469	3.0
117.07025	3.2
119.08573	3.7
121.06496	3.6
121.10149	13.2
122.07286	8.7
133.10129	95.4
135.08038	17.5
135.11678	2.1
137.09613	100.0
147.11771	2.2
149.05998	4.1
149.13232	11.5
173.13246	6.5
177.05515	1.8
191.14339	4.3
209.04427	2.9
209.08008	1.6
219.10622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.51474	1.4
51.88756	1.5
55.01856	2.8
55.05509	63.5
56.21071	1.5
59.04998	2.3
67.05499	8.4
69.03436	7.4
69.07064	9.9
71.04994	9.0
71.45685	2.3
79.05482	6.3
81.03422	1.7
81.07057	13.5
83.04975	71.5
83.08616	38.1
85.06543	3.5
86.41009	1.4
91.05478	4.7
93.07039	11.9
95.04964	100.0
95.08595	15.7
97.06526	7.8
97.10182	5.5
99.04447	15.3
99.08077	3.8
105.07036	7.0
107.04927	1.6
107.08590	26.8
109.06512	9.3
109.10154	22.9
111.04456	2.1
111.08073	10.0
113.09618	1.4
117.28149	1.6
121.06532	4.3
121.10139	20.1
123.08070	4.1
123.11710	12.5
125.09612	15.2
131.08571	3.1
133.10130	14.6
135.08052	7.9
135.11731	4.2
137.09610	4.6
139.11182	2.2
143.83464	1.4
145.10190	1.8
147.11685	3.3
149.05974	2.4
149.09639	6.2
149.13243	13.8
151.11168	72.5
153.09097	25.7
163.14796	4.3
165.12741	3.7
167.14314	70.3
173.13268	11.3
191.14293	20.6
209.04552	1.9
209.15353	45.6
223.44629	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57729	10.9
57.03435	11.6
81.03401	12.4
85.02879	12.4
91.12546	12.1
94.92996	15.9
95.52464	10.3
98.97583	21.3
105.03709	19.1
123.62589	10.3
210.94061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03947	0.3
55.01876	0.2
55.27745	0.2
56.96567	1.1
67.05486	0.4
77.03939	0.4
78.04711	2.5
79.05473	1.4
81.03403	0.5
81.07041	0.8
81.75626	0.2
83.05539	0.2
83.08633	0.2
90.55552	0.2
91.05466	2.2
93.07028	1.6
95.04957	1.6
95.08640	0.2
96.05755	0.2
97.99213	0.5
103.05461	1.6
105.03391	0.4
105.04491	0.6
105.07026	0.8
106.04162	2.3
106.52032	0.2
107.04958	1.1
109.02917	0.3
109.06513	0.5
119.04945	0.6
119.08587	0.5
121.05694	0.4
121.06491	2.8
122.03626	0.6
123.03513	0.4
123.04421	7.3
123.08004	0.2
124.05190	2.5
125.05988	0.2
126.01072	0.6
133.06470	1.0
134.03618	0.5
137.02361	0.2
137.05940	1.4
137.09644	0.2
147.04472	0.3
149.05965	5.0
151.03893	1.6
151.07503	0.2
152.04686	1.8
153.05467	0.2
161.05888	1.1
163.97710	0.4
165.05432	0.6
165.09094	0.5
166.06213	1.0
167.07025	100.0
168.04135	0.3
168.07417	0.6
179.06944	0.3
181.08562	4.0
193.04953	0.7
193.08543	2.2
193.09897	0.2
205.98828	0.5
211.05824	0.3
211.07504	0.5
211.09596	1.3
211.16803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01870	0.8
55.05500	0.2
56.47837	0.1
56.96564	0.4
63.46870	0.1
64.53397	0.2
67.05499	0.6
69.07073	0.2
70.50269	0.3
77.03922	0.2
77.41264	0.1
79.05497	0.9
81.07066	0.3
91.05473	2.4
93.07047	0.8
95.04978	0.5
95.08617	0.3
97.05332	0.2
100.01723	0.2
103.05453	0.5
105.04531	0.2
105.07015	1.9
107.04950	0.4
107.08596	1.0
108.05753	0.8
109.06506	0.7
109.74203	0.1
115.05434	0.8
117.07008	0.6
118.04155	0.2
119.04942	0.4
121.06497	1.3
122.07307	0.3
123.04492	0.2
123.08067	0.8
132.05669	0.3
133.06482	1.2
135.08017	1.1
136.05196	2.3
137.05971	4.0
137.09573	1.1
139.07564	0.2
147.08052	1.3
150.06735	0.9
151.07533	100.0
152.06837	0.2
152.07857	0.9
161.05922	0.3
165.09108	17.5
179.07063	0.2
191.56458	0.1
193.08592	33.6
194.08942	0.3
211.09666	1.4
211.13139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62184	0.1
51.15944	0.1
53.03942	0.1
55.01866	0.3
55.05519	0.2
56.96566	0.2
57.03436	0.2
65.03936	0.3
67.01859	0.2
67.05496	0.5
68.99794	0.2
69.07076	1.8
69.44173	0.5
71.04981	0.2
74.61240	0.2
79.05488	1.3
81.03454	0.2
81.07063	2.2
85.02891	0.2
91.05479	3.6
91.06046	0.2
93.07046	0.2
94.04243	0.2
95.04963	0.6
95.08604	0.2
99.04461	0.2
105.03400	0.3
105.07017	0.5
107.04944	0.6
107.08634	0.1
109.05770	0.2
109.06519	3.4
115.05499	0.2
119.04961	1.4
119.08606	0.3
120.02178	0.1
120.43700	0.2
121.06493	0.6
123.04422	1.8
123.08077	0.2
125.05994	0.4
133.06480	0.4
134.03661	0.2
137.05980	100.0
138.06290	0.9
140.54898	0.2
141.07034	0.3
147.04384	0.2
149.05994	2.0
151.03940	1.2
151.07533	1.6
153.05446	0.2
165.06963	0.3
165.09135	0.8
167.07018	0.7
175.11188	0.2
193.08606	2.5
193.12234	7.7
195.33199	0.1
205.98750	0.2
211.07567	0.6
211.09528	0.3
211.13280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52756	0.5
51.47427	0.5
54.38899	0.6
56.96567	0.6
63.33235	0.5
67.01861	0.8
69.07066	2.6
69.51755	2.2
79.05502	3.0
81.07045	0.8
91.05460	0.7
94.04177	0.8
95.08611	0.8
105.99885	0.7
107.04951	2.9
107.08622	0.8
109.06507	2.4
110.17452	0.6
125.06012	0.8
137.05981	100.0
138.06322	0.8
151.07545	1.6
165.09047	0.6
193.12256	14.7
221.65874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Oxyphyllenone A
Peak:m/z	Relative Intensity
51.06352	0.2
55.01862	0.3
56.96571	0.4
65.03942	0.3
67.01857	1.1
67.05511	0.5
69.03423	0.5
69.07063	2.8
69.20540	1.0
71.04989	0.3
77.03931	0.3
79.05489	2.8
81.07051	1.8
85.06541	0.2
91.05457	0.9
93.07030	0.5
94.04179	0.6
95.04969	1.4
95.08641	0.2
97.99178	0.2
105.03365	0.2
105.04540	0.5
105.07001	0.3
107.04949	3.2
109.06507	3.0
110.03696	0.4
111.04449	0.2
119.08584	0.5
122.03624	0.3
123.08072	0.4
123.11679	0.2
125.05989	2.8
133.10092	0.4
135.05542	0.2
137.05971	100.0
138.06389	0.6
151.07530	1.3
151.11163	2.0
158.39037	0.2
193.12231	13.2
211.13274	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03931	0.6
55.05509	2.4
57.07082	0.5
65.03933	0.4
67.01846	0.9
67.05512	3.0
69.03407	1.0
69.07064	3.7
69.51812	0.9
71.04963	0.6
75.44858	0.3
75.81261	0.4
77.03909	0.4
79.05495	5.2
80.34805	0.4
81.07053	4.6
83.04974	1.3
83.08618	0.9
84.14231	0.4
85.06557	0.7
89.28908	0.4
91.05474	1.8
93.07034	1.8
95.04960	1.2
95.08605	4.7
97.06474	0.4
105.07056	1.0
107.04959	6.2
107.08587	2.7
109.06510	3.7
109.09415	0.8
109.10152	12.9
111.08087	2.0
119.08574	2.6
121.10145	1.5
123.08063	2.4
123.11712	1.6
124.05195	2.3
125.05995	0.8
133.10124	3.1
135.05505	0.5
135.11699	8.1
137.05972	100.0
137.09509	2.2
139.06445	0.7
139.07538	13.9
149.13208	0.6
151.07564	0.9
151.11185	1.6
151.14819	1.4
153.12787	0.4
167.07062	0.5
175.14824	2.4
180.43033	0.4
193.12234	10.9
193.15889	2.6
211.13342	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
56.96567	0.5
67.05482	0.7
69.03435	0.7
69.07059	1.4
69.52625	0.7
69.52972	1.0
70.42008	0.3
77.03918	0.5
77.20005	0.4
79.05483	2.5
81.07043	2.0
84.16737	0.4
91.05463	0.7
93.07049	0.5
94.04185	0.8
95.04968	1.0
95.08598	0.4
107.04942	2.5
107.38981	0.4
109.06516	2.6
109.10181	0.4
109.31023	0.4
125.06001	0.5
133.10098	0.5
137.05977	100.0
138.06407	0.5
139.07695	0.6
151.07556	1.1
165.05443	0.9
167.07048	0.6
193.12242	16.1
211.05157	0.5
211.07474	0.7
211.11154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52756	0.5
51.47427	0.5
54.38899	0.6
56.96567	0.6
63.33235	0.5
67.01861	0.8
69.07066	2.6
69.51755	2.2
79.05502	3.0
81.07045	0.8
91.05460	0.7
94.04177	0.8
95.08611	0.8
105.99885	0.7
107.04951	2.9
107.08622	0.8
109.06507	2.4
110.17452	0.6
125.06012	0.8
137.05981	100.0
138.06322	0.8
151.07545	1.6
165.09047	0.6
193.12256	14.7
221.65874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.69707	1.0
53.03948	4.0
54.13794	1.0
55.01869	4.9
55.05509	37.2
57.03437	16.5
57.07063	1.2
59.04995	2.0
67.05501	30.6
69.03416	7.8
69.07074	10.7
69.90536	3.7
71.04996	3.9
79.05489	28.4
81.03415	100.0
81.07053	33.9
82.03767	1.3
83.04977	47.2
83.08613	31.7
85.02876	1.4
85.06556	1.9
86.49321	1.2
91.05477	29.1
93.07040	21.2
95.04965	31.6
95.08593	13.7
95.60908	1.0
96.17793	1.2
97.02905	3.4
97.06509	6.0
97.10165	8.3
99.08099	1.6
105.07024	21.7
107.04958	6.8
107.08584	9.3
109.06493	6.4
109.10178	4.4
111.04465	2.9
111.08051	13.2
115.05481	1.1
117.06979	1.0
119.08574	21.3
121.06504	2.0
121.10141	9.1
123.08067	7.0
125.09633	4.8
129.07002	11.6
131.08562	12.5
133.06511	3.1
133.10121	12.3
135.11639	1.5
137.09634	3.1
137.13312	1.2
139.11211	3.0
142.07771	3.0
145.10115	1.5
147.08076	3.1
147.11668	16.1
149.09575	8.7
149.38521	1.0
152.57588	1.0
157.10115	16.2
157.11380	1.3
165.12726	3.2
167.10641	7.3
175.11177	18.8
184.52522	1.2
193.12236	49.1
211.13298	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03932	2.4
55.01860	4.2
55.05505	21.3
56.96550	4.4
57.03432	80.2
57.07071	3.7
59.04988	5.6
67.05157	2.8
67.05498	37.5
69.03419	7.1
69.07059	25.8
69.61109	5.7
71.04987	15.9
72.98625	1.4
79.05485	25.1
81.03405	19.2
81.07053	42.7
83.04972	11.8
83.08613	16.3
85.02857	1.6
85.06532	6.6
86.41148	1.5
91.05470	24.3
93.06448	2.9
93.07040	56.8
95.04968	24.8
95.08600	100.0
97.06522	28.3
97.10165	3.9
98.23479	1.8
99.04436	4.6
99.08109	4.1
100.26029	1.5
101.05986	2.0
103.05412	2.3
105.07021	23.1
107.04962	2.0
107.08583	32.4
109.06495	12.0
109.10145	54.6
111.08091	11.2
115.07520	10.1
117.07036	1.7
119.08573	37.3
121.06479	4.2
121.10139	27.8
123.04422	2.0
123.08055	40.7
123.11687	20.4
125.09614	38.2
129.07011	3.3
131.08517	5.5
133.10115	19.6
135.08054	2.7
135.11682	29.5
137.09604	16.8
137.13240	7.5
139.10152	2.8
139.11172	22.7
141.12675	1.7
147.08069	3.5
147.11653	16.2
149.09589	19.1
149.13260	6.9
151.11200	4.5
153.12752	4.6
155.10617	3.0
157.07632	1.7
157.10094	4.3
163.14833	12.8
165.12741	6.8
165.16371	2.0
167.07021	3.3
167.10664	70.5
168.09277	4.2
169.12321	2.7
175.11186	12.6
175.14795	24.3
181.06650	1.8
181.15945	2.9
183.11694	5.2
193.12231	21.1
193.13855	2.1
193.14189	1.9
193.15868	20.9
196.08846	5.8
211.07515	1.8
211.11168	10.8
211.13255	15.3
211.16875	44.4
217.54083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.54990	0.8
53.23920	0.7
55.05507	13.3
57.03429	0.7
57.07080	4.0
57.77254	0.8
59.04990	2.8
60.58474	0.7
67.05499	22.8
69.03428	9.0
69.07064	17.2
69.22138	1.7
69.22546	2.7
71.04982	2.8
71.08643	1.0
72.88290	0.7
79.05482	5.0
81.03442	0.8
81.07051	23.9
83.04980	12.1
83.08617	9.0
85.06534	5.2
91.05460	3.5
93.07036	10.7
95.04951	2.6
95.08603	34.5
97.06561	2.0
97.10175	2.3
99.08077	4.0
105.07026	7.8
107.04942	0.8
107.08591	22.6
109.06514	13.2
109.10149	100.0
111.08088	3.4
113.09651	1.6
116.94622	0.7
117.06926	0.8
119.08580	21.6
121.10140	12.1
123.08065	14.6
123.11702	10.2
125.09664	1.5
127.11183	1.2
127.23105	0.7
133.10120	19.3
135.11685	67.5
137.05972	8.4
137.09612	15.7
137.16901	0.7
139.11180	2.5
147.11635	1.7
149.13235	6.2
151.03862	2.2
151.11185	9.7
151.14807	13.4
153.12732	2.5
165.16347	2.5
167.07162	0.7
175.14810	21.9
193.12283	1.6
193.15866	20.9
211.16914	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.32535	1.6
53.03941	1.8
55.01872	4.0
55.05508	25.8
57.03436	87.7
57.07067	4.3
59.05006	2.3
65.03944	1.9
67.05157	3.1
67.05499	40.3
69.03423	5.2
69.07061	18.9
69.30951	8.9
71.04977	6.0
78.32359	1.5
79.05493	19.7
81.03413	19.6
81.07055	41.3
83.04976	17.4
83.08612	19.0
85.06539	7.8
91.05474	22.8
91.97496	1.6
93.07045	47.0
95.04970	29.9
95.08601	58.4
97.06526	26.2
97.10175	4.0
98.23494	3.6
99.08061	2.4
105.07011	21.9
107.04951	2.9
107.08591	36.6
109.06499	20.3
109.10148	100.0
111.08083	43.4
113.06019	2.7
113.09603	1.7
119.08574	57.2
119.09430	3.4
121.06534	2.7
121.10137	34.0
123.08060	63.3
123.11699	16.3
125.05997	2.4
125.09624	33.2
127.11204	2.2
129.07011	3.4
131.08556	6.2
133.10130	32.0
135.08032	2.6
135.11688	42.3
137.09612	83.4
137.13254	7.1
138.10367	5.9
139.11165	26.2
147.11717	20.3
149.09641	17.7
149.13263	13.1
151.07533	1.9
151.11185	4.7
151.14819	8.6
157.10112	2.2
161.16705	1.6
161.55400	1.7
163.11121	2.1
165.12729	14.3
165.16428	2.6
167.10672	72.7
169.12251	2.4
175.11200	10.3
175.14821	50.2
193.12202	21.7
193.15860	34.9
211.13286	17.9
211.16890	33.6
218.01788	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.4
56.05044	1.4
56.96558	4.1
57.03443	7.9
60.01022	1.4
60.04517	1.4
61.02921	3.3
61.23155	1.3
69.03430	10.4
70.95078	2.0
71.04974	4.7
73.02917	11.1
81.03419	92.6
84.07671	2.9
84.08139	39.9
85.02902	18.5
87.04465	5.1
92.53247	1.6
97.02893	8.5
98.97587	16.1
99.04443	6.0
101.00800	1.9
109.02879	100.0
110.01279	4.6
110.97578	10.7
111.04360	1.6
112.07611	8.7
113.06016	11.2
116.98610	2.9
119.01839	7.1
125.15298	1.5
127.03915	10.7
128.02303	1.8
128.98599	5.6
131.01855	2.2
134.54439	1.5
137.01796	2.1
140.02281	2.9
141.05478	15.5
143.01807	3.1
145.02713	1.9
146.02277	3.9
146.34041	1.3
146.99602	2.5
152.02240	2.8
155.02945	2.4
158.06673	8.2
158.99663	3.3
159.06522	22.4
160.35538	1.7
161.02821	2.8
167.02803	1.8
170.99637	6.4
173.02924	1.6
176.07677	3.6
177.00714	2.3
177.07570	8.5
181.05014	2.5
182.03241	2.2
184.08174	2.4
188.07625	4.1
189.00706	5.0
195.08652	19.0
201.00714	2.9
212.07687	15.0
219.01697	3.8
223.74570	1.4
230.08777	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
53.08459	1.7
56.05034	2.5
69.03422	9.2
70.12070	4.0
71.04983	6.3
81.03419	91.4
84.08144	78.7
85.02913	7.1
87.04469	4.8
95.83809	2.0
98.23087	5.3
99.04471	4.4
109.02877	100.0
113.05995	11.2
113.67654	1.9
127.03896	10.0
141.05457	15.8
159.06520	26.2
177.07573	15.3
184.08235	3.6
195.08640	19.7
212.07623	17.3
230.08734	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.075
Annotation	Gelsemide
Peak:m/z	Relative Intensity
55.01878	12.6
56.96575	28.3
57.03436	15.0
61.02935	10.0
69.03443	17.9
70.87575	22.9
73.02921	23.4
81.03422	30.1
82.03738	27.4
84.08147	53.7
85.02919	23.9
85.08456	19.0
97.02910	30.8
98.91375	9.5
98.97626	15.1
107.04928	14.7
109.02886	24.0
110.03229	28.2
110.97541	9.9
112.07622	16.0
121.06483	16.7
124.57513	10.2
125.05977	28.5
129.15222	11.1
135.04445	13.3
149.05983	22.0
151.03935	40.0
156.79959	10.3
160.04756	10.1
160.06903	13.1
167.03439	10.1
167.07043	12.3
172.04446	12.5
173.03047	13.5
177.05399	11.5
181.05038	24.7
185.03033	14.8
195.06461	16.0
196.04825	100.0
196.08995	11.6
208.99617	12.0
212.85211	34.8
213.00128	12.4
213.07610	89.6
231.08984	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.7
71.06023	1.0
94.93008	8.0
98.67820	0.8
98.97607	1.3
101.00938	0.8
101.45898	0.7
110.97601	3.0
111.58572	0.8
112.89586	0.9
114.89347	2.2
128.98637	3.3
143.99747	1.0
144.03279	2.8
144.05093	1.6
146.01385	1.0
146.99574	1.8
162.00716	1.0
162.04321	2.1
172.04582	2.5
190.00247	1.5
190.03947	0.9
190.05643	3.0
195.06493	2.4
196.04825	19.8
208.01270	3.9
212.85236	100.0
213.07497	15.6
213.09328	1.3
234.87160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
56.34624	0.8
61.02681	0.8
61.02930	9.4
65.03945	6.0
67.05494	2.4
77.03921	2.3
79.05495	15.2
85.02914	0.7
91.05475	3.9
92.03963	0.8
93.03407	11.1
95.04975	3.9
98.22607	1.6
98.97575	1.4
105.03378	1.5
105.41039	0.7
106.07870	0.9
107.04954	27.9
108.02094	1.6
109.02888	1.0
110.03670	19.6
111.04444	7.8
117.03393	1.1
121.06504	10.5
122.03622	4.9
123.04432	0.9
125.05991	66.9
133.02843	12.5
135.04414	26.3
137.05965	5.1
141.05443	2.4
149.05983	23.0
150.03119	10.1
151.03911	100.0
151.05016	12.3
152.04233	0.9
153.05458	16.4
162.03140	1.7
163.03941	8.4
165.05479	37.0
167.07040	17.2
177.05475	21.1
192.29419	1.0
195.06512	17.7
203.49277	0.8
213.07524	11.9
230.64194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
50.38490	0.6
55.01859	2.6
55.05505	1.8
64.07092	0.6
64.22349	0.6
64.85070	0.5
65.03947	5.0
70.68613	1.0
73.02919	27.8
77.03951	1.0
78.04727	0.8
79.05497	5.1
81.03426	1.5
81.07024	0.7
83.04970	0.8
90.32484	0.6
95.04972	5.2
105.04521	1.3
107.04955	31.7
109.02887	6.3
111.04460	1.6
121.06502	1.8
123.04427	7.1
125.02329	3.6
126.03153	4.5
128.00745	1.1
135.04419	10.4
135.05449	0.6
136.04716	0.8
139.03906	1.9
140.04684	46.2
141.05466	25.0
141.06303	0.6
145.03932	2.1
152.04616	1.0
152.66084	0.8
153.05461	2.2
155.07030	29.1
157.04958	11.9
163.03911	24.0
165.05492	4.0
167.03394	100.0
167.07034	16.3
168.03778	1.0
173.08138	2.0
176.13838	0.9
190.52516	0.6
195.06535	29.9
198.87479	0.6
213.07570	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03946	0.5
55.01871	0.9
55.04586	0.3
57.03433	0.4
63.00036	0.9
67.05492	0.3
70.17854	0.3
70.64323	0.5
77.03919	0.9
78.04707	1.8
78.79584	0.3
79.05500	7.6
81.07063	1.0
84.65219	0.3
91.05476	3.3
93.03453	0.3
93.07046	1.0
95.04969	2.2
95.08640	0.4
95.30276	0.3
98.97640	0.4
103.05473	7.2
105.04509	0.7
105.07033	5.3
106.04160	1.6
107.04955	57.5
107.08572	0.7
108.05236	0.4
109.06527	0.6
111.08106	0.3
115.05457	2.9
117.06983	1.2
117.62610	0.4
119.04972	0.4
120.05724	1.7
121.06516	0.6
122.03709	0.6
123.04433	6.0
124.05209	2.7
125.05991	1.2
131.04930	2.3
133.02858	0.5
133.06499	0.5
134.03621	0.8
135.08051	13.7
137.05995	0.9
139.03896	0.4
140.04718	0.4
145.06532	0.5
145.07600	1.6
147.04395	1.0
148.05182	0.4
148.98662	0.4
149.05978	0.8
151.03906	1.5
152.04694	2.3
154.06245	2.5
163.07545	29.9
165.05502	0.7
167.07036	100.0
168.07382	0.7
180.07819	3.7
181.08614	0.7
191.51648	0.3
195.10165	17.7
213.11185	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	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.57959	7.1
55.05497	12.5
56.79646	6.7
57.03411	11.6
61.52716	7.4
67.05495	78.7
69.07067	24.9
69.25475	42.0
79.05507	37.5
81.07049	100.0
83.08629	17.4
88.07618	22.6
91.05487	26.2
93.07043	67.5
95.08612	31.3
97.06505	9.3
98.23391	15.7
98.97587	19.2
105.07014	10.2
107.08599	37.9
111.08089	9.1
116.98590	12.0
121.10176	14.7
131.08501	9.0
133.10121	12.9
134.99660	8.7
135.11757	16.4
149.13269	42.1
157.01692	7.2
159.11642	15.0
159.16751	7.4
177.08990	8.0
177.12779	14.1
190.03900	10.4
195.13715	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.72513	2.0
55.01871	4.5
55.05506	18.7
57.03436	7.4
57.07067	4.8
59.71732	2.1
67.05500	77.9
69.03419	2.6
69.07067	22.6
71.04990	6.1
74.35759	2.1
76.01302	2.1
79.05489	34.7
81.07053	100.0
83.04975	7.9
83.08613	21.6
85.06554	5.6
88.07638	3.1
91.05473	21.6
93.07042	57.7
93.07608	4.4
95.04975	6.9
95.08598	25.9
97.06516	13.8
98.84941	2.7
98.97581	4.5
99.08106	4.3
105.07033	5.9
107.08580	28.8
109.06506	4.3
109.10164	4.6
111.08103	7.8
113.05950	2.5
113.29797	2.3
117.06974	13.3
119.08594	7.3
121.10143	16.9
123.11740	4.8
131.08578	9.7
133.10130	18.8
134.99741	2.3
135.08076	3.5
135.11691	17.1
149.13245	37.0
151.11223	3.5
157.10135	2.7
159.11682	16.1
160.19771	2.0
177.12842	12.1
177.14119	2.3
177.89662	2.1
195.13823	14.9
197.00395	2.2
213.12971	3.7
213.16394	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.05513	11.6
57.07058	2.2
59.05001	2.9
67.05164	2.4
67.05505	36.7
69.03433	0.9
69.07067	15.3
69.18496	1.2
69.18782	6.6
70.23776	1.0
71.04992	36.0
73.06574	1.6
79.05505	7.2
81.07054	39.7
83.04969	1.4
83.08632	5.9
85.06550	4.1
89.93040	1.1
91.05491	3.0
93.07040	16.7
95.04955	1.6
95.08608	21.0
96.04365	1.1
97.06535	1.5
97.10161	3.6
98.23554	2.3
98.97633	1.8
99.08093	6.2
104.52132	1.2
105.07049	2.8
107.08598	21.5
109.10153	100.0
111.08100	2.0
113.09631	1.2
121.10139	32.1
123.11713	10.7
125.09635	3.7
125.13257	2.4
127.03869	1.3
127.11185	3.5
135.11697	14.8
137.13234	5.2
139.11186	3.1
149.09598	1.5
149.13271	2.5
153.05450	1.0
153.12737	11.2
177.16376	35.3
195.10214	1.5
195.17439	46.4
213.09070	2.2
213.16502	2.4
213.18466	20.7
223.51443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1595
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01871	0.6
55.05503	0.6
57.07061	1.4
57.30503	0.2
61.02913	0.4
69.19748	1.3
73.02937	0.5
81.96067	0.2
83.04974	0.8
86.06059	1.0
86.09701	100.0
87.10034	0.4
89.06004	0.5
98.22745	0.4
101.06018	0.4
111.04459	1.1
116.10704	1.0
128.10709	51.3
129.11057	0.2
139.01741	0.3
142.12299	0.4
148.59898	0.3
155.07013	1.1
170.11751	57.8
171.12091	0.7
173.08046	0.8
174.14886	7.9
181.66168	0.2
216.15965	2.6
217.10654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.9435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02914	1.1
50.84690	1.0
56.96566	22.6
70.18477	1.8
70.18781	1.7
98.23459	1.3
98.97580	12.8
106.67686	1.1
112.04742	1.1
116.98630	8.2
118.92104	8.3
134.99667	5.2
136.92184	3.5
136.93100	40.1
136.94029	61.2
146.41302	1.2
154.93216	8.1
154.94205	73.9
155.07016	1.4
156.07385	1.8
172.95378	100.0
174.08444	2.8
177.00838	1.4
177.95938	1.6
190.95151	13.8
190.96303	32.4
195.95561	2.5
195.96808	9.7
203.14240	2.1
213.97026	6.9
218.11084	2.0
218.83366	2.2
219.17448	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	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57954	26.1
61.13430	25.7
63.79534	26.6
64.24883	24.4
67.76952	23.8
69.35071	42.5
69.35446	47.8
76.01256	27.4
119.92444	23.3
120.83636	27.0
125.85365	27.4
148.78667	25.2
219.02641	100.0
229.52641	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
67.05508	0.6
69.26194	3.2
91.05470	6.3
98.23570	1.1
103.03762	0.6
103.05466	1.7
105.07028	0.7
115.05459	5.4
116.06235	2.4
117.07021	2.4
119.04948	0.8
119.08505	0.9
128.06229	5.2
129.07002	28.5
130.07791	1.9
131.04936	5.5
131.08563	29.1
137.05984	3.7
141.06989	25.3
143.04878	1.7
143.08578	1.6
144.05673	4.3
145.06487	4.7
146.07256	2.8
147.04393	0.9
148.05154	1.1
155.06052	1.0
157.06485	14.1
158.07274	14.5
159.04399	2.4
159.08058	21.8
160.05161	2.7
161.06021	0.9
161.09616	2.1
163.07478	1.3
168.05777	1.0
169.06461	10.6
169.07675	1.0
170.07275	6.1
171.08063	0.8
173.05956	2.7
173.09654	0.9
174.06758	59.7
175.07530	9.8
185.06064	1.0
186.06752	15.0
187.07491	1.3
188.08324	3.9
189.09096	78.8
190.09337	0.9
191.10634	6.7
201.07176	0.8
201.09100	31.2
219.10158	100.0
220.10405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03421	0.8
67.05499	0.9
69.82610	1.3
70.79307	0.6
76.06718	0.7
91.05473	7.8
93.07054	1.1
95.08612	1.0
98.22721	0.8
98.45428	0.7
99.30881	0.7
103.05466	1.3
105.07008	2.3
107.08633	0.7
115.05478	5.8
116.06229	2.3
117.07011	2.7
119.04981	0.8
119.08550	1.0
119.64605	0.6
128.06201	6.2
129.07004	32.0
130.07771	2.5
131.04907	5.8
131.08563	27.0
133.10091	1.2
137.05939	2.6
141.06981	27.5
143.08548	2.3
144.05710	5.4
145.06438	4.5
146.07274	3.8
148.05188	1.0
155.06085	1.9
156.05692	1.1
157.06477	17.1
158.07253	16.5
159.04424	2.6
159.08041	20.6
159.11603	1.0
160.05212	3.9
161.05945	0.9
161.09645	2.7
162.06709	0.7
163.07506	2.6
168.05591	1.1
169.06468	12.6
169.07684	1.7
170.07268	5.7
171.08070	1.9
173.05965	3.6
173.09573	1.0
174.06757	65.6
175.07539	9.0
176.08365	0.9
179.01476	0.7
183.07954	0.9
185.06021	1.1
186.06737	13.3
187.07443	1.0
188.08359	2.2
189.09096	82.5
190.09410	0.9
191.06999	1.2
191.10664	6.1
201.09096	31.5
201.16367	1.1
219.10153	100.0
219.17389	2.4
220.10403	1.0
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	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05484	0.7
56.83841	0.8
56.93268	0.8
64.38078	0.9
67.05493	1.6
67.15479	0.8
69.37562	1.0
69.37843	4.1
71.05009	1.0
79.05485	2.2
81.07045	2.4
91.05473	10.5
93.07045	4.1
95.04902	0.9
95.08603	3.4
103.05471	3.6
105.07047	6.1
107.08574	3.5
109.10134	1.7
115.05453	9.7
116.06217	2.5
117.07011	4.0
117.62897	0.9
119.08593	4.3
121.06537	1.1
121.10123	1.9
128.06230	8.3
129.07004	35.6
130.07777	2.9
131.04912	6.1
131.08568	36.1
133.10115	3.1
135.11679	2.5
137.05975	4.1
140.30083	0.9
141.06985	33.5
142.07709	1.1
143.04932	2.6
143.08505	1.9
144.05734	4.7
145.06473	6.2
145.10132	5.3
146.07268	4.1
147.11691	1.2
148.05165	1.5
151.07591	1.2
155.04892	0.9
155.06079	1.7
157.06490	20.9
158.07281	18.6
159.04396	2.7
159.08064	23.8
159.11678	3.6
160.05217	6.8
161.09595	3.6
161.13225	2.7
163.07527	2.2
163.11121	1.0
169.06453	11.1
169.07661	2.0
170.07249	6.6
171.04453	1.1
171.08076	1.7
173.05998	5.0
173.09627	1.6
173.13254	2.1
174.06761	68.3
175.07541	10.3
185.06041	1.8
186.06758	16.2
187.07492	1.4
188.08363	3.6
189.09099	83.7
191.07042	1.3
191.10646	7.0
201.07164	1.1
201.09100	37.8
201.16331	7.0
219.10156	100.0
219.17363	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.90704	1.1
53.03932	1.4
55.05502	6.2
57.03445	1.3
57.07071	2.2
59.66965	1.1
67.05509	16.6
69.07069	9.2
69.32911	4.6
70.84560	1.2
71.04981	2.8
79.05495	12.8
81.07059	34.8
83.04977	3.0
83.08601	3.7
86.92554	1.3
91.05479	18.8
93.07050	31.2
95.04981	6.0
95.08607	44.9
97.06508	3.3
97.10127	1.2
105.07032	46.0
105.07738	3.0
107.08601	41.2
108.65463	1.2
109.06515	5.6
109.10161	20.4
111.04434	1.2
111.08056	4.6
115.05481	2.0
116.06164	1.4
117.07027	11.8
119.08587	38.9
121.06519	1.9
121.10146	21.5
123.08070	6.9
123.11693	1.8
125.09585	1.4
128.64177	1.1
129.06996	2.3
130.07799	3.3
131.08571	34.4
133.10133	18.0
135.08076	1.5
135.11699	15.4
137.09595	3.0
141.06871	1.3
143.08577	3.9
144.09343	3.8
145.06427	2.3
145.10127	66.7
146.10898	2.5
147.11676	17.3
149.09624	2.7
149.13287	7.2
151.11070	1.2
157.10143	4.1
158.10904	2.5
159.08086	1.4
159.11688	49.6
161.13268	19.7
163.11180	5.1
173.06003	2.5
173.13263	22.8
174.06761	2.9
175.08647	1.7
175.14828	8.1
177.12747	1.8
177.16359	2.4
189.09213	1.8
189.16367	2.9
191.17899	6.4
201.05492	3.9
201.16386	100.0
203.14343	2.0
219.06497	3.1
219.10028	3.0
219.17445	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03954	1.9
55.05510	10.1
57.07063	3.8
59.04972	2.3
60.65499	1.4
61.36159	1.6
64.00914	1.4
67.05165	1.6
67.05499	18.5
69.03419	4.9
69.07068	15.3
69.48615	6.0
71.04998	3.0
75.11561	1.5
76.31445	1.6
79.05485	17.0
81.07054	55.0
82.50465	1.2
83.04969	4.3
83.08635	4.5
85.06536	3.0
91.05475	17.6
93.07043	34.8
95.04963	4.0
95.08605	47.5
95.09218	2.3
97.06523	8.9
97.10170	3.9
98.23433	2.5
105.06349	2.7
105.07028	43.4
107.04948	5.2
107.08591	49.4
109.06519	7.1
109.10159	31.4
111.08073	8.1
115.05446	1.4
117.07024	9.7
118.04616	1.5
119.07740	2.4
119.08575	32.7
121.06509	2.9
121.10151	33.2
123.08079	7.6
123.11725	6.4
125.09613	3.8
129.06996	3.9
130.07777	2.9
131.07651	2.5
131.08566	29.0
133.10106	19.0
135.08032	5.9
135.11690	30.4
137.09612	3.9
137.13063	1.6
138.10449	2.4
141.07048	2.6
143.08551	3.0
144.09383	3.5
145.08977	2.2
145.10123	45.5
147.11700	21.8
149.09621	6.3
149.13261	10.0
151.11183	3.0
157.10158	3.6
159.08034	3.3
159.11691	40.2
161.13255	27.8
163.11168	14.5
163.14857	3.6
172.94305	1.5
173.13255	25.7
174.06744	6.1
175.14864	9.7
177.12732	4.0
177.16327	3.6
189.09097	6.3
191.10585	1.9
191.14322	3.6
191.17928	17.2
192.64499	1.5
201.09148	3.3
201.16386	82.5
219.06625	2.0
219.10162	7.9
219.17433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.70974	1.0
55.05511	6.6
57.03444	1.0
57.07060	4.6
67.05505	14.6
69.03413	2.3
69.07059	9.2
69.19664	2.5
69.20069	3.5
70.06589	2.6
71.04984	3.2
71.06919	1.3
73.06538	1.5
77.90448	1.0
79.05483	14.0
81.07059	31.2
83.04955	2.6
83.08606	2.7
85.06520	2.7
88.07632	4.0
89.07951	2.5
91.05482	13.0
93.06456	1.3
93.07047	34.5
95.04964	3.7
95.08606	43.3
97.06511	3.8
97.10155	1.9
99.08122	1.2
101.90546	1.0
102.09190	1.7
103.05425	1.2
105.07028	45.6
106.08671	2.6
107.08585	44.1
109.06500	6.5
109.10158	22.5
111.08084	5.6
115.05345	1.1
117.07021	6.9
119.08582	37.0
121.06493	2.2
121.10151	23.4
121.31612	1.1
123.08089	7.4
123.11684	4.2
125.09631	4.1
128.06183	1.0
129.06970	1.9
130.07854	2.2
131.07646	2.1
131.08565	23.5
133.10130	17.2
135.07980	2.2
135.11696	16.7
137.09616	4.1
139.52122	1.2
143.08554	2.9
144.09361	2.6
145.10123	55.7
147.11690	11.0
149.09599	2.5
149.13249	6.6
157.10149	1.4
158.10901	2.3
159.11691	46.3
161.13258	24.5
163.11179	7.4
163.14789	2.2
164.52744	1.1
172.55804	1.1
173.13252	16.8
175.14813	10.0
177.12782	2.1
177.16364	2.4
186.14046	1.5
189.09076	2.5
189.16292	1.5
191.14241	1.7
191.17917	6.6
201.16382	88.9
201.20395	4.1
202.16722	2.2
219.10225	3.7
219.17441	100.0
219.21468	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05511	6.6
55.33287	0.8
57.03430	1.0
57.07065	1.5
59.90102	0.8
61.75232	0.8
67.05501	12.7
67.62006	0.9
69.07058	7.3
69.45857	3.5
71.04995	5.9
77.03919	1.3
79.05499	16.0
81.06562	1.7
81.07054	33.8
83.08611	2.5
85.06544	1.2
91.05476	15.2
93.07043	32.3
95.04972	5.9
95.08606	46.8
96.85313	0.8
97.06539	7.7
97.10141	1.8
99.08070	0.9
105.07030	39.6
107.08592	37.4
109.06515	3.4
109.10152	21.3
111.08071	3.4
115.05453	1.0
116.06226	1.1
117.07016	12.3
119.08573	29.4
121.06527	0.9
121.09269	1.3
121.10140	21.7
121.63516	1.0
123.08057	3.8
123.11701	3.4
125.09644	1.1
129.06995	3.9
130.07811	4.1
131.08560	24.9
133.10123	16.2
135.11699	22.0
137.09579	1.6
141.07014	1.9
143.08534	1.1
144.09323	3.0
145.10118	61.8
146.10825	2.5
147.11690	12.9
149.09583	1.1
149.13252	7.1
153.05910	1.1
157.10135	3.0
158.10941	1.2
159.11687	41.2
161.12131	0.6
161.13255	15.9
163.11150	2.3
163.14835	1.3
172.12466	1.2
173.13258	15.6
174.06726	2.3
175.14847	6.2
186.14027	1.1
189.09138	3.3
189.16316	2.1
191.17941	13.1
201.09106	2.1
201.16380	100.0
219.10176	5.5
219.17439	93.1
220.17735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05505	3.2
57.07066	0.7
60.29284	0.7
65.03924	0.7
67.05504	9.7
69.07064	3.7
69.41347	3.0
71.04981	3.4
74.70648	0.6
76.01285	0.6
79.05491	11.0
81.07056	28.6
83.04971	1.3
83.08614	2.2
91.05482	13.5
93.07041	35.4
95.04945	1.8
95.08604	30.6
95.09220	1.5
97.06522	1.8
103.05460	1.5
105.07027	45.1
107.08591	32.9
107.13032	0.7
109.06506	1.1
109.10151	12.2
111.08057	2.1
115.56520	0.7
117.07011	8.8
119.08574	22.8
119.09430	1.3
121.10133	14.6
123.08074	1.1
123.11684	2.5
125.09629	1.4
128.06219	1.0
129.06996	2.9
130.07816	1.4
131.08565	37.2
133.10126	14.3
135.11690	11.0
139.11128	0.9
140.78503	0.7
141.06998	1.5
143.08607	1.2
144.09311	2.4
145.10123	55.2
147.11670	5.3
149.09581	1.9
149.13257	4.5
157.06508	0.8
157.10097	1.1
158.07237	1.4
158.10855	1.4
159.08102	1.4
159.11687	34.3
160.12431	1.0
161.13248	7.5
163.11157	3.8
168.23616	0.7
169.06425	0.8
173.13264	15.2
174.06750	4.1
175.14825	4.2
177.12706	3.3
186.06712	1.0
189.09167	5.5
189.16341	3.7
191.17929	2.9
201.09114	1.9
201.16374	100.0
202.16678	1.1
219.10181	6.7
219.17432	72.0
220.17686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Occidol
Peak:m/z	Relative Intensity
52.64687	0.8
53.03923	0.9
55.05494	3.6
67.05513	10.4
69.07083	4.7
69.18630	4.1
71.04993	2.2
72.67281	0.9
77.03897	1.0
79.05480	11.9
80.25518	0.9
81.07055	32.0
83.08595	1.5
91.05473	12.6
93.07043	32.8
95.04958	1.8
95.08604	32.7
95.09215	1.7
97.06538	1.2
97.10134	1.1
103.05461	1.2
105.07027	51.5
107.08591	33.5
108.05218	1.0
109.06524	1.5
109.10152	15.0
111.08084	1.6
115.05440	1.6
117.07005	8.5
119.08578	23.5
121.10143	14.2
123.08072	1.9
123.11670	2.1
125.09641	2.1
128.06194	1.5
129.07014	4.2
130.07803	2.7
131.08566	36.3
133.10123	15.3
135.11690	9.7
141.06964	3.2
143.08601	2.6
144.09311	2.4
145.10126	56.6
147.11734	5.4
149.09540	1.3
149.13211	2.6
157.06439	1.6
157.10106	1.0
158.07289	2.7
158.10954	1.2
159.08028	2.5
159.11687	32.6
161.13284	8.8
163.11191	5.0
173.13254	14.4
174.06757	7.6
175.14810	6.0
177.12740	2.5
186.06807	2.0
189.09097	9.1
189.16399	3.6
191.17967	3.9
199.14824	1.1
201.09094	4.3
201.16377	100.0
219.10176	14.9
219.17435	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05507	5.6
57.03424	2.0
57.07061	1.3
65.12399	0.7
67.05208	0.9
67.05501	11.1
69.03448	1.6
69.07060	7.9
69.39239	1.7
69.39631	2.3
70.86091	0.8
70.89024	0.9
71.04982	2.9
74.94908	0.7
77.88943	0.8
79.05494	12.0
81.03429	1.0
81.07060	23.5
83.04979	1.9
83.08598	3.3
85.06537	1.4
91.05473	16.3
93.07047	25.6
95.04946	3.2
95.08604	28.5
97.06537	1.5
99.08089	0.8
102.67235	0.8
103.05469	1.1
105.07023	27.8
107.08594	32.3
109.06506	3.1
109.10162	13.8
111.08070	3.1
115.05457	1.4
117.07008	9.5
119.07744	1.8
119.08579	27.8
121.06512	4.1
121.10139	17.4
123.08067	3.0
123.11693	2.3
125.09624	2.4
128.06296	1.1
129.06952	2.6
130.07800	1.8
131.08566	28.3
133.10123	17.5
135.08044	5.7
135.11702	14.9
137.09627	2.5
140.46968	0.7
141.06943	2.3
143.08533	2.3
144.09340	1.1
145.10124	49.4
147.11702	9.5
149.09613	2.7
149.13263	9.4
157.06441	1.3
157.10123	1.3
158.07259	1.0
158.10887	1.5
159.08040	2.9
159.11693	43.5
160.12411	1.0
161.13252	14.4
163.11194	6.8
163.14774	1.2
171.11716	1.1
172.94254	1.6
173.13263	15.8
174.06793	4.8
175.14816	5.0
177.12746	1.6
177.16388	1.4
186.06790	1.8
186.13982	1.7
189.09146	6.0
189.16385	1.6
190.95390	1.1
191.14230	1.0
191.17924	6.6
201.09114	3.3
201.16379	90.9
202.16776	0.9
209.67845	0.9
219.10086	6.9
219.13881	2.6
219.17438	100.0
220.17830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	Zerumbone
Peak:m/z	Relative Intensity
55.05499	1.2
56.96561	9.4
67.05501	2.1
69.07063	1.0
69.43600	2.9
77.75086	0.5
79.05482	0.6
81.07037	1.2
91.05476	0.8
93.07028	2.3
95.08587	1.3
97.06527	5.6
98.22852	1.9
105.07005	2.5
107.08559	1.7
107.89124	0.6
109.10183	2.8
111.08080	14.9
119.08554	1.9
121.06501	0.9
121.10123	2.8
123.08080	1.0
123.11725	0.9
135.08063	4.0
135.11664	1.4
136.92133	1.2
136.93120	1.0
136.94048	1.1
137.09579	0.7
147.11679	4.2
149.09607	0.8
154.93137	2.9
154.94281	0.8
159.11673	2.3
161.09613	0.9
161.13214	1.8
163.11191	4.8
172.94220	10.3
177.09096	1.3
177.12762	0.9
189.12755	13.1
190.63641	0.6
190.95280	11.9
195.95779	4.0
200.04556	0.6
201.16388	0.8
204.15117	17.1
213.96907	4.2
219.17438	100.0
220.17743	1.1
236.42455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03957	0.3
55.05514	3.3
56.96564	2.1
57.07092	0.2
67.05504	0.3
69.10196	0.2
71.43019	0.2
79.05498	3.9
81.07082	0.6
83.04984	34.1
91.05479	2.3
93.07047	20.6
95.04976	0.5
98.24352	0.2
99.05293	0.2
99.08070	0.5
105.04565	0.3
105.07024	3.7
106.07845	0.4
107.08589	0.2
109.10159	0.4
111.08096	0.2
119.08591	2.1
121.10148	100.0
122.10474	0.6
123.08080	0.7
133.07617	0.5
133.10153	0.3
135.11703	0.3
136.92181	0.3
138.92093	0.2
145.10170	0.3
154.93187	1.1
154.94310	0.2
159.06348	0.3
159.11725	0.4
161.13307	0.2
172.94211	2.5
190.95332	2.3
191.74046	0.2
195.95807	0.8
201.16420	0.5
203.14374	0.3
209.81998	0.2
213.96921	0.9
219.17450	5.3
219.19484	0.4
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
51.73962	0.6
55.01869	0.9
55.05511	2.1
57.07074	6.5
59.04996	5.0
60.33778	0.5
64.45010	0.5
67.05499	4.8
69.03424	2.0
69.07072	5.3
70.02952	6.9
70.06593	1.6
72.04514	15.3
72.08152	9.6
73.02918	3.7
74.02440	1.6
75.70365	0.6
79.05489	1.2
81.07055	2.9
83.04980	0.9
85.06551	8.8
86.06062	6.6
86.09718	1.9
87.04469	16.0
87.08095	2.2
90.05551	100.0
95.04964	6.2
96.08118	1.9
98.02409	15.4
98.06052	21.4
100.03976	2.4
103.07584	8.6
112.07621	0.7
113.06004	2.7
116.03448	16.1
124.07587	16.9
130.08574	1.0
131.07045	1.1
140.10696	15.1
142.08638	8.1
144.10164	1.2
156.10205	1.3
158.11760	77.9
159.12161	0.9
160.09700	2.3
166.08632	2.0
174.11156	3.2
184.09688	21.1
202.10735	32.2
202.14342	8.6
205.15788	0.7
212.20604	0.5
220.11800	43.3
220.15294	13.9
220.17622	1.0
224.12357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1183
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
55.01875	0.8
55.05512	1.4
56.01394	0.6
57.07081	6.5
59.05007	5.4
65.33866	0.7
67.05505	5.5
68.06618	0.6
69.03440	1.4
69.07065	5.8
69.81508	1.7
69.81857	0.8
70.02962	6.5
70.06599	1.1
70.74405	0.5
72.04520	16.7
72.08164	5.1
73.02909	3.5
74.02444	1.4
81.07056	2.1
85.06545	12.0
86.06058	3.5
86.09693	1.6
87.04469	7.7
87.08103	2.0
90.05557	100.0
95.04974	7.0
95.11953	0.6
96.08142	1.6
96.68372	0.6
98.02421	18.0
98.06059	12.1
98.22720	0.9
100.03982	2.6
103.07586	9.3
112.07581	1.0
113.06010	2.7
116.03455	14.3
124.07590	19.4
134.04726	0.6
140.10715	8.8
142.08644	6.9
144.10143	0.6
144.50418	0.6
156.10194	1.4
158.11771	44.8
160.09712	2.4
166.08615	1.9
174.11263	2.5
184.09692	19.9
202.10742	26.7
202.14357	5.4
220.11800	31.8
220.15164	6.7
236.07736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05516	2.0
56.01411	0.6
57.03444	0.8
57.07077	6.2
59.05006	4.9
65.65029	0.5
67.05504	5.3
69.03436	1.0
69.07073	4.8
69.81715	1.1
70.02956	5.9
70.06585	1.4
72.04134	1.2
72.04520	15.6
72.08156	6.6
73.02924	3.5
74.02444	1.3
81.07060	2.9
83.05001	1.3
85.06546	9.6
86.06078	4.3
86.09729	1.4
87.04470	12.5
87.08109	2.9
90.05560	100.0
95.04971	6.2
96.08141	1.6
98.02423	15.6
98.03040	1.0
98.06057	17.9
98.22616	0.6
100.03991	1.9
103.07580	6.7
112.07633	0.8
113.06004	2.4
116.03456	13.5
124.07600	16.5
131.07059	0.9
140.10710	13.4
142.08659	7.5
156.10179	1.4
158.11772	69.4
160.09724	2.0
166.08646	2.3
174.11292	1.8
184.09694	21.4
188.91660	0.5
202.09135	0.4
202.10745	29.0
202.14388	8.2
220.11832	39.2
220.15303	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	220.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92019	0.2
52.86669	0.2
61.12360	0.2
69.48640	0.3
69.49034	0.5
98.22684	0.3
105.07021	0.2
106.06588	0.2
107.08564	0.2
118.06538	8.1
119.07340	0.4
119.08582	0.2
132.08076	2.2
132.08965	0.2
133.08842	1.0
133.09892	0.2
134.09621	0.5
144.08095	0.2
146.09618	2.1
147.10458	0.2
148.11195	0.2
156.69867	0.2
160.11186	0.4
162.09140	5.1
176.10765	3.1
176.14336	24.8
177.11490	1.3
177.14717	0.2
186.06873	0.2
190.12273	2.8
191.13008	0.2
202.15726	0.8
204.13943	0.3
220.16949	100.0
221.17220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
54.01396	0.1
59.35931	0.1
59.88339	0.1
62.27195	0.1
65.36002	0.1
67.81970	0.1
70.21223	0.2
70.21552	0.2
81.07039	0.3
93.07023	0.2
102.12393	0.1
109.10162	0.1
118.06540	8.2
119.07378	0.3
120.08088	0.2
132.08078	1.8
132.08957	0.2
133.08878	0.7
134.09616	0.8
144.08107	0.3
146.09630	2.3
146.10703	0.2
147.10472	0.2
160.11140	0.3
162.09135	6.4
176.10918	1.3
176.14342	25.9
177.11461	0.5
177.14674	0.4
182.36307	0.1
189.15086	0.3
190.12230	2.0
202.15822	1.0
220.16954	100.0
221.17340	1.2
244.21053	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	221.0444
Annotation	6-Methoxy-7,8-methylenedioxycoumarin
Peak:m/z	Relative Intensity
53.03947	0.2
55.01865	0.6
60.42357	0.1
65.03947	0.4
66.04718	1.6
68.02656	0.2
68.99812	0.4
69.03419	0.4
76.03140	0.3
77.03931	0.9
77.22231	0.2
78.04716	1.1
79.05472	0.4
80.02642	0.2
81.03435	0.2
81.07086	0.4
87.00821	0.9
89.03924	0.4
91.05487	2.1
93.03401	0.3
93.07076	0.2
94.04187	2.3
95.01324	0.9
95.04983	0.5
97.02879	0.3
98.03668	0.2
103.05450	0.3
104.02618	0.5
105.03392	2.3
105.04465	0.4
105.07012	0.7
106.04176	0.5
107.01316	0.4
107.04948	0.5
109.06479	0.2
115.05508	0.3
119.04953	1.2
121.02860	0.8
122.03640	3.2
123.04434	0.6
123.97974	0.1
125.02402	0.9
126.03139	0.4
130.06522	0.2
131.04935	0.5
132.02071	0.6
133.02846	8.0
133.06500	1.6
134.03693	0.2
135.00789	0.4
135.04436	0.2
137.05965	1.1
138.03117	0.3
139.03958	0.2
147.04402	2.6
149.02339	0.5
149.06065	0.2
150.03119	23.4
151.03897	0.9
153.05473	0.9
154.02512	0.2
159.04413	0.4
160.01573	0.7
160.04889	0.1
161.02342	9.4
161.06020	1.5
162.03140	0.2
163.03905	0.2
164.04637	0.8
165.05475	11.7
167.03383	0.2
175.03937	1.0
175.07480	0.2
176.04732	0.2
177.01875	0.6
177.05463	1.1
178.02612	25.0
179.03203	0.7
179.07011	0.3
189.01794	0.2
189.05449	0.5
193.04964	55.2
194.05241	0.4
203.03375	0.4
203.07074	0.5
205.01338	0.9
206.02100	48.5
207.02443	0.5
219.02806	0.4
221.04448	100.0
222.04779	1.3
239.05576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.02376	0.6
56.96564	1.7
57.07065	1.4
68.64654	0.4
70.06561	0.6
71.17754	0.5
72.08141	1.4
74.02412	0.5
77.03960	0.5
81.07041	0.6
82.02939	1.8
85.02883	0.7
90.05571	2.4
91.05897	1.0
94.06558	3.8
95.04959	0.8
97.02905	0.8
98.97575	2.4
100.02485	1.3
101.00879	2.2
101.02328	0.6
104.05031	0.7
104.10736	0.7
105.07015	0.5
110.97634	0.5
115.03843	0.5
115.05405	1.2
116.98647	1.0
118.03518	1.2
119.01913	8.9
119.04912	0.7
119.08552	0.6
120.01993	0.6
120.08086	0.9
121.01688	1.0
125.07986	0.6
130.06525	70.1
132.04448	44.0
132.10246	0.5
134.06049	0.6
134.99641	1.0
136.04611	0.8
137.02963	2.8
137.06004	0.6
140.04884	0.6
142.76741	0.5
146.05983	0.6
147.04405	1.0
147.09198	1.4
148.07565	3.6
156.97479	4.6
157.07611	26.8
158.06015	81.0
159.06401	0.5
161.02960	2.5
161.05986	2.1
174.98563	4.6
175.03909	2.0
175.08665	100.0
176.07066	1.6
176.09009	0.9
178.02596	1.4
179.00632	0.5
179.02481	0.8
179.03984	3.9
179.99211	0.6
181.04980	0.6
185.07126	0.7
185.10081	0.8
186.05551	2.8
193.04982	1.6
197.98938	1.3
198.00433	0.9
198.98532	2.1
203.03694	0.5
203.08287	4.2
203.11108	0.9
204.06577	5.3
205.15944	1.1
206.01994	1.1
206.16245	0.7
216.01283	1.1
216.99586	2.5
220.17770	1.1
221.01208	1.7
221.04605	3.5
221.09225	20.4
221.12021	1.3
221.14952	0.5
242.15263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30010	0.5
55.01865	1.5
57.03421	1.6
57.07067	1.4
59.04997	0.9
60.04512	2.4
67.05489	0.7
69.03401	0.9
69.91061	0.5
69.91391	1.7
70.06601	0.6
71.04979	0.7
72.04521	0.9
72.08141	1.6
73.02901	1.5
74.02426	0.9
82.02942	2.0
83.01336	0.7
84.08086	0.7
84.24340	0.4
85.06557	0.5
87.04460	2.4
90.05546	5.3
91.05889	2.5
94.06554	4.3
95.01331	1.6
95.05033	0.6
95.41319	0.5
98.02364	0.7
98.06052	0.9
100.02494	1.4
101.00880	1.3
101.02382	4.6
101.06023	0.9
103.05461	0.8
103.07576	0.6
104.10720	1.4
107.04976	0.6
108.99977	0.5
111.00844	0.7
115.03911	1.6
115.05431	1.3
117.03781	0.6
118.03522	1.3
119.01922	4.7
120.08075	0.8
121.01657	1.2
124.07610	0.6
125.07938	1.3
129.01852	1.4
129.05478	0.7
130.06529	67.9
132.04449	39.9
134.06024	0.8
136.04515	0.9
137.02930	1.2
141.05463	0.8
141.11053	0.7
143.03352	1.0
143.08972	0.8
147.09137	0.8
148.07587	3.7
148.97679	1.5
149.05959	0.7
150.03123	1.2
156.97514	3.0
157.01393	1.3
157.04947	0.7
157.06277	0.7
157.07607	24.0
158.06015	81.4
158.11763	3.3
159.12102	2.1
161.02995	1.4
161.04605	1.0
161.05936	5.0
174.98537	2.7
175.08669	100.0
176.07065	1.7
176.08987	1.3
177.01801	0.6
178.02673	1.2
179.00786	0.6
179.04036	2.3
185.10007	1.1
186.05502	3.0
189.03914	0.7
190.06097	1.0
193.04935	1.9
197.99127	1.1
198.00186	0.8
198.98566	1.0
203.02197	1.0
203.08301	4.1
203.11105	2.4
204.06581	6.0
205.15871	1.6
206.02121	2.3
216.99603	1.1
221.00809	3.4
221.04745	3.3
221.09224	17.7
221.12064	2.3
221.15475	0.9
221.18007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03919	0.5
53.43347	0.3
55.05518	3.0
57.07074	0.9
58.07417	0.3
59.04990	0.3
67.05500	1.2
68.99788	0.4
69.03424	0.8
69.07061	0.8
69.11343	0.3
70.06599	0.9
71.04975	0.3
71.06916	0.6
71.08620	0.4
71.27994	0.3
72.08995	0.3
79.05495	5.7
81.07061	5.7
83.01335	1.7
83.04990	0.3
88.07642	0.6
89.07968	0.6
90.08054	0.4
91.05478	4.1
93.07024	0.9
94.04180	0.8
95.04956	1.0
95.08598	3.2
98.97581	0.4
102.09162	0.3
105.03339	0.4
105.04515	0.4
105.07016	1.8
107.04945	1.8
107.08521	1.6
108.09067	0.6
109.06515	3.5
109.10148	1.9
111.08063	0.4
116.98598	0.3
119.04982	0.5
119.08556	2.0
121.06487	0.6
121.10139	1.3
122.03622	1.7
123.08084	0.4
133.10115	1.1
135.05507	0.4
135.07982	0.4
135.11678	0.6
137.05965	2.8
147.11691	2.7
149.13239	0.5
151.07562	1.7
155.07028	16.9
161.05971	0.4
161.13255	0.8
163.14787	0.6
165.05475	100.0
166.05806	0.9
172.08832	0.3
175.07529	0.6
175.14839	0.4
177.09103	0.5
179.07036	0.4
179.10658	0.7
188.08270	1.0
191.10667	0.3
192.07784	0.7
202.20750	0.8
203.10703	1.8
203.18007	2.7
206.05702	0.5
207.71910	0.3
220.21782	8.4
221.11726	42.7
221.18962	3.5
221.21976	7.4
222.12057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03941	2.3
55.05509	10.5
57.07072	5.2
59.04988	3.4
60.28358	1.6
60.90590	1.8
67.05502	20.3
69.03436	23.3
69.07067	13.8
69.85586	1.6
70.70529	2.4
71.04984	10.4
78.04712	2.9
79.05492	20.3
81.07055	57.0
83.04969	2.5
83.08611	6.3
85.06552	2.7
91.05474	14.8
93.07037	25.3
95.04969	2.9
95.08614	32.4
97.06531	3.6
97.10160	3.7
98.97589	6.7
99.08124	2.9
105.04559	2.9
105.07032	33.0
107.04897	2.9
107.08594	31.6
109.06529	10.8
109.10156	23.3
111.08104	3.4
111.11680	2.4
115.05459	9.4
116.98598	5.0
117.07027	9.2
119.08585	38.2
121.06494	23.0
121.10146	15.1
123.11688	11.4
128.06215	15.9
129.06998	11.6
131.04912	3.8
131.08578	2.2
133.06494	2.4
133.10130	13.7
134.99654	2.5
135.11685	23.3
137.05988	19.7
137.09647	1.6
137.13239	2.0
138.06764	23.5
140.77126	1.8
141.06966	4.1
142.07715	2.9
143.04906	2.3
143.08537	6.6
144.05751	1.7
145.06497	24.3
145.10168	2.1
146.07286	4.7
147.04442	4.3
147.07974	2.1
147.10599	2.5
147.11694	25.8
149.13258	7.9
151.07549	35.6
151.11180	1.9
155.07042	4.8
156.05728	2.4
157.06476	16.5
158.07288	9.6
159.08064	10.0
160.08858	5.7
161.05969	39.7
161.09618	3.5
161.13255	10.9
162.06729	10.6
163.07481	4.7
163.14819	16.7
165.05495	14.8
165.09029	2.3
165.12752	4.9
171.08037	7.2
172.08832	50.3
173.06003	32.8
173.09459	3.8
174.06830	3.7
175.07532	19.4
175.11131	3.4
175.14836	4.7
177.09071	13.9
177.12781	3.6
179.10713	3.4
187.07524	6.3
188.08325	100.0
189.08965	3.3
190.09958	2.5
193.12242	2.9
196.03661	1.8
198.98949	2.0
203.10674	96.5
203.17935	36.9
206.05765	2.0
206.16096	1.9
221.11717	35.3
221.15419	3.3
221.19000	46.1
229.59254	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29166	0.2
51.56615	0.1
53.03933	0.3
55.01859	0.2
55.05259	0.2
55.05510	3.6
56.63614	0.2
56.67535	0.2
56.96575	0.3
57.07077	0.9
58.07395	0.3
59.04974	0.3
62.06087	0.2
65.03941	0.3
67.05502	0.8
69.03432	0.9
69.07054	0.9
70.06600	0.9
71.06918	0.5
71.08616	0.4
71.26685	0.2
72.07251	0.2
77.03925	0.3
79.05494	5.4
81.07057	5.8
83.01339	1.4
83.04966	0.5
83.08603	0.3
85.06524	0.2
88.07611	0.8
89.07965	0.6
90.08047	0.2
91.05476	2.5
93.07074	1.2
94.04178	0.6
95.04958	1.1
95.08605	2.6
98.97582	0.4
103.03968	0.2
105.04497	0.4
105.07023	1.8
106.08649	0.2
107.04964	2.1
107.08535	1.2
108.09058	0.3
109.06518	2.4
109.10157	1.7
111.08051	0.3
116.98557	0.2
119.04917	0.6
119.08578	1.8
121.02864	0.2
121.06431	0.3
121.10102	0.9
122.03645	1.7
123.08055	0.4
123.11707	0.6
125.05970	0.3
133.10109	1.5
135.05539	0.7
135.08015	0.2
135.11691	0.7
137.05981	2.9
137.09662	0.2
143.08475	0.2
145.10197	0.2
147.07994	0.3
147.11694	2.1
149.13277	0.3
151.07524	1.5
155.07030	15.2
161.05946	0.3
161.09618	0.2
161.13300	1.1
162.06763	0.2
163.14813	0.5
165.05475	100.0
166.05832	0.9
172.08766	0.2
175.07570	0.3
177.05530	0.2
177.09125	0.8
177.16254	0.2
178.06467	0.2
179.10692	0.5
188.08330	0.7
189.09099	0.3
190.09914	0.3
192.07828	0.4
193.08679	0.2
193.12149	0.5
201.20493	0.3
202.20746	0.2
203.10675	1.2
203.14078	0.2
203.18013	2.0
203.20950	0.2
206.09409	0.3
220.21779	4.6
221.11729	36.8
221.18970	2.5
221.21974	6.0
222.12099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Glutinosone
Peak:m/z	Relative Intensity
53.03931	0.1
55.05508	1.4
57.07079	0.4
61.98372	0.1
65.03936	0.2
67.05504	0.4
69.07059	0.6
79.05496	1.0
81.07048	2.4
83.01331	0.1
83.04973	0.1
87.04462	0.2
91.05478	1.7
93.07040	0.4
95.04983	0.3
95.08611	0.8
97.10149	0.2
105.07030	0.7
106.83904	0.1
107.04939	0.2
107.08601	0.4
109.06517	2.5
109.10176	0.3
111.08059	0.1
117.07017	0.2
119.04945	0.3
119.08566	0.6
121.09341	0.1
121.10145	0.4
123.04383	0.2
123.11788	0.1
125.05968	0.2
125.09543	0.2
127.03869	0.2
128.06223	0.2
129.06999	0.3
133.06485	0.5
133.10114	0.5
135.11671	0.2
137.05972	100.0
138.06303	0.7
143.08563	0.2
145.06448	0.1
147.04405	0.3
147.08046	0.2
147.11679	0.4
151.07561	1.1
155.06985	0.2
157.06598	0.1
157.10132	0.1
161.06015	0.4
161.09608	0.4
161.13243	0.3
163.07510	0.1
163.14867	0.2
165.05493	1.4
165.09169	0.3
175.07510	0.3
175.11188	0.3
175.14833	0.2
177.05414	0.4
179.07097	0.2
189.09055	0.2
191.09698	0.1
193.04967	0.1
193.08623	0.1
203.10672	0.8
203.17920	0.5
221.04454	0.4
221.11732	1.6
221.15353	16.1
221.18913	0.5
222.15698	0.2
222.75841	0.1
231.72472	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05509	20.5
57.07072	13.5
59.04995	5.2
67.05503	31.6
69.07069	36.6
69.40526	2.2
71.04982	3.7
79.05491	20.7
81.07058	87.2
83.04974	3.5
83.08608	11.2
85.06541	4.2
87.87755	2.4
91.05469	28.4
93.07040	44.1
95.04973	7.9
95.08609	89.6
97.06516	8.2
97.10164	7.5
98.97589	13.5
105.06345	4.8
105.07033	64.5
107.08594	66.0
109.06542	6.3
109.10153	53.1
111.08101	3.7
111.11748	5.6
116.98592	11.0
119.08588	49.5
121.10146	44.4
122.99213	2.3
123.11696	20.7
125.09592	3.8
133.10126	39.8
134.99683	5.8
135.11707	21.1
137.13268	7.5
140.00233	3.3
147.10576	4.8
147.11690	72.9
149.13234	8.1
151.11194	5.3
158.01299	6.0
161.09639	3.5
161.13274	26.4
163.14815	36.6
165.12755	10.4
175.14790	12.9
177.16457	7.1
179.14410	2.3
203.17949	100.0
204.18422	2.8
221.11630	2.7
221.15535	4.2
221.19014	85.2
221.21132	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.10627	0.8
55.05509	8.3
56.96549	1.2
57.07068	1.8
58.68873	0.8
59.05000	23.8
67.05505	7.0
69.07063	9.8
70.19148	1.7
79.05490	4.2
80.41280	0.8
81.07054	31.5
83.08626	8.1
85.06549	2.1
87.04491	0.8
91.05453	4.3
93.07050	12.7
95.08607	48.1
96.08959	0.9
97.10155	3.6
98.97583	7.9
105.06345	1.4
105.07029	19.1
107.08594	20.7
109.06532	1.0
109.10152	23.3
111.08047	2.0
111.11758	1.2
113.48610	0.8
116.98629	4.4
119.08580	41.5
121.10141	25.9
123.08076	1.0
123.11729	9.2
125.09630	10.3
133.10127	25.9
134.99669	1.7
135.11684	3.7
139.11171	19.8
140.00226	1.1
147.11684	26.7
149.13248	4.0
151.11179	12.1
158.01265	2.7
161.13266	26.3
163.14813	22.4
165.12737	1.4
175.13374	1.7
175.14832	24.9
177.16422	5.3
180.97852	1.3
192.95039	1.1
198.98946	2.2
203.17946	93.5
206.97250	0.8
221.18999	100.0
222.19394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.26403	0.3
53.03922	0.3
55.05511	2.6
57.03414	0.3
57.07066	1.6
59.04998	0.4
67.05502	3.3
69.03399	0.3
69.07064	3.6
69.37460	1.3
71.04974	0.9
79.05490	2.0
81.07053	8.3
82.85307	0.2
83.08601	1.2
85.06520	0.5
91.05465	3.2
93.07048	5.1
95.04958	0.5
95.08603	9.1
97.06509	1.5
97.10163	0.9
98.97535	0.5
99.08037	0.3
99.92229	0.2
103.05425	0.4
105.06351	0.5
105.07024	8.4
107.07928	0.5
107.08594	6.8
109.06464	0.4
109.10153	11.1
111.08066	4.2
111.11729	0.5
113.09620	0.3
115.05455	1.1
116.06200	0.4
117.07015	3.6
119.08572	7.2
121.06453	0.4
121.10133	3.9
123.08084	1.3
123.11691	4.3
125.09589	0.4
128.06187	0.7
133.06479	0.7
133.10120	6.3
134.07248	1.1
135.08032	0.6
135.11685	4.6
137.09598	1.6
137.13231	0.9
143.08522	1.0
144.05707	0.4
145.06477	0.7
145.10103	0.6
147.08040	0.5
147.11674	9.3
149.02324	1.9
149.09595	0.3
149.13242	4.4
151.11145	0.5
159.11667	0.6
160.12444	0.5
161.13249	4.2
162.06772	4.3
163.14780	1.1
165.12782	0.8
171.08026	0.6
175.07516	2.3
175.14844	1.0
176.14430	0.3
177.09096	100.0
178.09402	1.6
203.10635	0.6
203.17944	16.9
213.21463	0.3
221.11838	0.6
221.15102	0.5
221.17216	2.6
221.18999	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.57219	2.3
55.05513	17.6
57.07071	9.2
58.78395	2.1
59.05003	4.4
67.05505	18.3
69.03440	2.3
69.07071	32.2
71.04996	11.6
73.06581	2.6
79.05502	19.4
81.07058	100.0
83.08626	9.6
85.06534	3.5
87.04510	2.7
91.05471	13.0
93.07046	37.4
95.04971	2.2
95.08606	38.0
97.06565	3.6
97.10191	4.3
98.97584	9.9
105.07033	41.9
107.08596	42.0
109.06521	3.6
109.10162	35.1
111.08092	3.5
111.11744	4.6
112.98891	2.0
113.09631	2.0
116.71383	1.9
116.98612	7.1
117.07014	2.0
119.08586	52.5
119.55151	2.2
121.10138	14.7
123.08091	3.1
123.11703	16.9
125.09624	4.0
127.11208	4.1
129.34090	1.9
133.10123	19.3
134.99609	4.4
135.11690	43.0
137.05980	17.0
137.13306	2.4
140.90079	2.2
147.11684	36.4
147.12834	2.2
149.13319	13.1
151.07567	1.9
151.11238	2.9
158.01288	3.1
161.09590	2.5
161.13310	10.6
163.14825	6.5
165.09109	2.6
165.12817	2.2
175.14827	5.7
183.90440	2.0
189.09152	2.0
198.99110	2.8
203.14262	2.9
203.17964	41.0
221.08032	4.8
221.11630	4.5
221.15536	3.8
221.19022	58.0
221.21153	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	221.993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.6
58.62949	0.1
60.08168	3.5
70.59927	0.2
71.07369	0.5
79.63795	0.1
86.09704	4.5
86.10225	0.3
92.12391	0.1
104.10741	100.0
105.10465	0.5
105.11069	8.6
120.27336	0.2
162.94588	4.5
169.79210	0.1
221.99442	1.6
222.01945	31.2
223.02234	0.2
241.86034	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	221.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74729	0.2
58.06598	0.6
60.08163	3.6
70.03382	0.7
71.07372	0.7
86.09702	6.9
89.56008	0.2
104.10743	100.0
104.57261	0.3
105.10445	0.7
105.11069	8.4
151.99358	0.2
162.93617	0.2
162.94595	6.7
222.01959	42.9
238.56656	0.2
242.11906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	Antibiotic MI 43-37F11
Peak:m/z	Relative Intensity
55.01872	0.6
65.03943	0.5
67.05498	0.5
68.99783	3.3
69.00160	0.2
69.48571	0.4
69.48975	0.3
72.51556	0.1
79.05481	1.3
81.07059	0.6
91.05458	0.3
93.03403	0.4
93.07053	0.4
95.04973	0.4
103.05463	0.6
105.07030	0.3
107.04954	2.7
119.04930	0.3
120.08141	0.3
121.02885	0.6
121.06525	0.8
131.04950	0.7
135.04408	4.1
137.02388	0.3
139.03880	0.5
149.02345	2.4
149.05960	2.5
153.05542	0.3
156.98703	0.3
159.04442	0.4
160.11252	0.5
163.03894	100.0
164.04280	0.9
167.03421	0.6
167.04665	0.2
177.05461	3.0
177.09195	0.4
178.12276	0.3
179.06883	0.2
180.98682	0.3
191.03377	0.7
195.02786	0.2
195.06485	0.4
205.04970	1.4
205.06995	0.2
222.99751	2.2
223.02351	2.2
223.05991	11.7
223.09589	0.4
224.13065	0.2
225.04359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0966
Annotation	Coniferyl acetate
Peak:m/z	Relative Intensity
53.03954	0.5
54.29729	0.4
55.01865	1.8
55.05525	0.4
57.03429	3.8
57.07056	0.4
67.01873	0.7
67.05499	1.2
68.99801	0.7
69.03422	1.2
69.07071	0.8
70.06618	0.5
71.04987	0.9
77.03947	0.4
79.05505	3.7
79.59686	0.4
81.03411	1.2
81.07055	1.3
85.02931	0.7
85.06544	1.9
91.05478	2.4
93.07041	2.3
95.04972	1.5
95.08610	1.6
97.02878	1.0
99.04465	1.8
100.46413	0.4
103.05471	5.3
105.07049	4.5
107.04951	12.0
107.08603	0.8
109.06510	1.5
109.10128	0.4
112.67159	0.4
113.38643	0.4
115.05434	1.0
117.07008	4.0
119.04936	0.9
119.08568	0.9
121.02866	0.7
121.06521	4.2
121.10133	1.1
123.04431	1.8
123.08020	0.4
125.06017	2.2
128.06296	0.4
131.04929	2.0
132.05698	0.8
133.02921	0.5
133.06494	1.7
135.04404	1.4
135.08051	13.6
137.05981	27.4
138.59451	0.4
139.03897	0.8
144.05653	0.5
145.06560	1.9
145.10117	1.7
146.07321	0.7
147.01773	0.4
147.04393	1.2
147.08067	0.7
148.05194	1.4
149.02335	4.8
149.05995	1.4
149.09637	4.6
151.07558	4.6
159.08035	1.5
161.05989	5.1
162.06723	1.6
163.07541	100.0
164.07927	1.0
165.09065	0.8
173.09669	0.9
175.07564	1.7
175.11195	0.5
176.08293	0.6
177.05595	0.7
177.09109	25.0
177.12503	1.0
178.09586	0.4
179.10745	0.9
181.08566	0.7
187.07524	1.1
190.09952	0.9
205.08614	17.4
205.12230	10.2
223.06064	1.1
223.09651	13.9
223.13016	2.9
223.18916	0.5
225.04271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	Coniferyl acetate
Peak:m/z	Relative Intensity
53.03936	0.6
55.01868	2.2
57.03442	4.2
65.03924	0.6
67.05493	0.5
68.99763	0.8
69.03431	0.7
71.04978	1.0
75.00966	0.3
79.05489	1.7
81.03409	1.7
81.07047	0.8
83.01342	11.1
83.04950	0.9
88.09410	0.3
91.05475	3.5
93.03372	0.3
93.07034	1.0
95.04951	0.8
95.08585	0.9
96.02102	0.5
97.02876	0.5
97.06511	0.4
99.04463	2.3
105.07010	1.0
107.04926	1.6
107.08592	2.0
109.06517	1.7
111.04414	1.4
113.05993	0.3
115.05425	1.3
117.07022	4.5
119.04919	1.2
121.02858	0.8
121.06511	3.8
121.10098	0.5
123.04388	0.7
124.01566	0.3
125.05988	2.4
131.04906	0.4
131.06862	0.3
131.08546	1.8
134.03668	0.3
135.08051	11.4
137.02362	1.4
137.05975	27.3
138.06335	0.3
139.03925	2.8
144.05724	0.5
145.06488	4.9
147.04465	1.3
148.05196	2.2
149.02332	2.1
149.05977	0.6
149.09628	2.7
153.05437	0.9
159.08089	1.7
161.05977	23.1
162.03107	0.6
162.06735	1.2
163.03941	2.2
163.07536	100.0
164.04718	0.7
164.07887	0.9
165.01788	0.4
167.03401	4.1
177.01837	0.9
177.05560	1.8
177.09108	15.2
180.00461	1.3
187.07523	1.9
191.03368	5.1
193.01334	0.3
195.02885	1.2
195.06505	0.6
205.01250	0.5
205.04970	1.3
205.08595	18.0
208.03642	1.0
223.02390	13.9
223.06000	4.0
223.09618	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	223.0965
Annotation	Coniferyl acetate
Peak:m/z	Relative Intensity
53.03946	0.6
55.01873	1.0
57.03439	4.4
63.55183	0.3
64.37357	0.3
67.01863	0.5
67.05515	0.5
68.99790	0.9
69.34786	0.4
69.49897	0.9
70.19601	0.4
77.03943	0.6
79.05484	2.7
81.03413	1.0
81.07060	0.8
83.59473	0.3
85.06522	0.4
91.05465	1.8
93.07041	1.0
94.04199	0.5
95.04954	0.9
95.08647	0.9
99.04451	2.0
103.04843	0.5
103.05470	4.8
105.07024	3.7
107.04955	12.4
109.06522	1.6
110.03680	0.4
115.05457	0.8
117.07016	4.8
119.08536	0.5
120.05732	0.5
121.06504	2.8
123.04425	1.3
125.05965	2.0
131.04936	2.4
132.05721	1.1
133.06480	1.8
134.07285	0.4
135.04391	1.1
135.08051	10.2
137.05972	30.7
139.03975	0.6
144.05717	0.5
145.06459	1.7
147.04436	0.6
147.08051	0.5
148.05185	1.6
149.05983	0.8
149.09612	6.8
151.07516	1.4
153.05658	0.3
159.08116	0.6
161.05962	3.4
161.07150	0.4
162.06764	1.2
163.07538	100.0
164.07875	0.9
177.09100	26.2
182.86137	0.3
187.07515	0.9
205.08598	17.5
205.12251	1.3
223.06097	0.7
223.09641	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	223.133
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
55.01854	1.7
55.05507	9.8
57.03443	4.5
67.05499	11.3
69.03430	15.6
69.07053	5.5
69.85404	3.9
69.85771	3.5
71.04997	10.9
79.05484	14.3
81.07050	12.3
83.01324	8.4
83.04988	7.9
85.02887	1.9
89.08947	1.7
90.41596	1.6
91.05476	18.1
92.65695	1.7
93.07043	20.9
95.04967	10.3
95.08600	7.0
97.06503	2.6
103.05457	2.8
105.07032	23.9
107.04984	4.1
107.08590	25.6
109.06516	8.8
109.10138	7.3
111.04417	3.3
113.92523	1.6
115.05467	1.9
117.07036	9.5
119.08585	28.8
120.09322	2.5
121.06503	8.4
121.10152	25.7
122.07301	21.9
123.04404	1.7
123.08067	7.1
123.11723	2.3
125.05987	9.4
125.09589	1.9
128.06165	2.3
129.07027	10.2
130.07719	4.9
131.04950	9.0
131.08562	12.5
133.06561	1.8
133.10150	9.6
135.08058	45.0
135.11691	31.3
136.08852	17.4
137.05968	4.1
137.09601	20.5
137.13258	2.5
139.03947	2.3
139.07521	2.3
140.60052	2.1
141.06949	1.6
142.71944	1.5
143.08546	2.7
144.09326	19.1
145.10144	14.7
147.08023	5.3
149.02336	10.2
149.06004	8.4
149.09612	76.4
149.13203	7.8
150.06767	29.0
151.07568	12.1
153.09052	7.9
157.10173	2.1
159.03282	1.6
159.04439	9.7
159.08064	4.2
159.11690	51.4
161.06047	2.5
161.09599	10.5
161.13280	2.3
162.10399	5.1
163.03951	3.4
163.07547	7.5
163.11180	69.6
165.09103	28.4
167.04733	2.2
169.10095	2.5
172.08817	9.5
175.07536	26.0
175.11147	2.6
176.08321	2.9
177.05473	8.6
177.09134	6.2
177.12743	91.8
179.10674	2.9
187.11177	19.5
189.09105	1.9
190.09883	19.4
203.10658	14.4
205.12238	100.0
223.06073	4.3
223.09891	3.1
223.13286	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Stachyline C
Peak:m/z	Relative Intensity
53.47777	0.3
53.58989	0.3
57.07059	0.7
67.05505	1.2
69.07054	0.4
69.34844	1.4
71.04983	1.9
79.05494	0.9
81.07063	0.7
81.12693	0.4
85.06538	27.7
85.16850	0.3
91.05455	1.9
93.07057	0.6
95.04987	0.5
95.08606	0.5
98.23412	0.7
103.05446	0.4
105.07026	4.2
107.04996	0.6
107.08584	0.8
109.06516	0.4
109.93863	0.3
115.05406	0.5
117.07021	2.1
119.08585	0.6
121.06496	1.9
121.10118	0.4
123.08070	0.5
128.06227	0.4
129.07002	0.4
130.07768	0.9
131.08542	0.5
132.05624	0.4
133.06448	1.6
135.08063	3.4
137.05960	1.2
137.09608	1.4
138.06815	0.3
139.07574	1.8
143.08521	0.8
145.06409	0.6
145.10106	8.2
147.08034	1.4
149.02315	1.0
149.05954	0.5
149.09583	0.7
150.06784	0.8
151.07535	10.1
153.09085	1.5
155.08565	0.8
158.07219	1.6
159.08035	0.8
161.05988	0.7
161.09680	0.3
163.07521	1.9
163.11140	0.5
165.09106	17.4
173.09613	8.4
174.10390	2.2
175.07556	2.1
176.08292	1.7
177.09134	1.8
177.12709	2.2
190.09846	5.3
205.12225	100.0
206.12627	1.2
223.13271	32.6
223.16840	0.9
224.13597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Stachyline C
Peak:m/z	Relative Intensity
55.05515	0.5
57.07071	2.0
59.49109	0.5
67.05515	3.5
69.07051	1.6
71.04993	2.0
71.44825	0.5
71.45190	0.6
79.05504	2.3
81.07063	1.2
85.06542	17.4
91.05463	3.3
91.05966	0.5
93.07040	1.1
94.22086	0.5
95.04984	1.1
95.08634	0.8
98.97588	0.6
103.05479	1.6
104.92499	0.6
105.07034	7.0
107.04942	0.8
107.08609	0.8
109.06519	0.8
115.05478	1.2
117.06996	1.3
118.04146	0.5
119.04957	0.7
119.08572	1.1
120.05745	0.8
121.06508	7.1
121.52808	0.5
123.08076	1.0
124.05274	0.5
125.06014	0.5
128.06252	1.3
129.06992	0.9
130.07799	1.4
131.04921	1.2
131.08575	0.8
133.06487	1.7
135.08052	5.4
137.05981	7.4
138.06635	0.9
139.06577	0.7
139.07521	3.1
141.06993	0.6
143.04900	0.5
143.08588	1.1
144.05792	0.5
145.06429	1.0
145.10147	1.6
146.07268	0.5
147.08060	2.5
149.02354	3.7
149.06000	2.7
149.13138	0.5
150.06744	1.6
151.07539	10.9
153.09087	1.7
155.26866	0.5
158.07294	4.0
159.08052	8.5
161.05972	8.5
162.06789	1.0
162.10454	0.7
163.07538	4.3
165.09108	22.0
167.07053	1.7
173.09589	4.0
174.10391	12.4
175.07527	11.8
175.11162	1.2
176.08325	11.8
177.09090	6.0
179.10648	2.0
181.08522	0.6
189.08995	2.4
190.09885	15.8
191.10545	0.5
203.10684	0.8
205.12234	100.0
206.12511	1.2
223.09769	1.1
223.13278	25.3
225.04352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
55.01889	1.7
55.05523	4.4
57.03426	1.8
58.71094	0.8
62.64446	0.8
65.03928	1.1
67.05507	8.7
69.03414	4.6
69.07059	3.6
69.39030	4.3
71.01355	11.0
71.04995	39.8
79.05504	6.0
80.16825	0.8
81.07046	5.8
83.04984	15.1
85.02880	1.0
85.06548	1.5
91.05475	18.2
92.88148	0.8
93.06446	1.3
93.07041	25.0
95.04964	5.8
95.08624	6.4
97.02874	1.3
97.06542	5.0
98.23448	2.0
99.04433	1.3
105.03355	0.9
105.07034	15.2
107.04965	1.7
107.08595	28.6
109.06525	7.8
109.10152	12.1
110.12156	0.9
111.04472	1.0
111.08092	12.1
115.05511	1.8
117.07045	8.5
119.08583	69.8
121.06503	15.8
121.10144	20.8
122.07293	2.0
123.04413	1.0
123.08063	12.2
125.05971	1.9
125.09637	16.1
128.06181	1.8
129.06996	7.0
130.07779	3.6
131.08585	7.2
132.05659	1.0
133.06471	1.2
133.10132	14.0
135.08047	22.4
135.11694	81.1
136.08847	1.6
137.05983	1.5
137.09619	39.0
139.07527	2.6
143.08560	3.5
144.09357	8.3
145.10120	23.6
146.07259	1.2
147.08054	19.4
149.02350	2.8
149.05971	2.2
149.09622	2.9
149.13249	13.5
151.07539	1.3
151.11172	2.9
152.08316	9.7
153.09113	39.8
153.12704	2.2
157.10130	1.5
159.08038	1.3
159.11696	43.9
161.06006	2.2
161.09612	12.3
162.10376	8.0
163.07562	1.7
163.11183	27.8
165.09135	9.4
169.10292	1.4
177.12753	45.3
179.07027	1.6
179.10658	10.0
187.11177	12.6
187.51050	1.0
195.13800	21.8
205.08479	2.5
205.12263	14.5
223.13292	100.0
224.13745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33913	7.1
55.01882	14.8
56.37460	5.7
57.03452	28.2
58.02931	6.7
59.05001	9.1
59.17789	5.9
60.04506	7.8
62.06090	9.0
63.50592	6.0
70.06570	7.6
70.63740	5.7
70.64079	9.6
71.01347	9.3
71.04967	6.4
73.02911	13.2
74.06083	9.3
85.02907	9.1
86.06054	13.8
86.09700	7.3
87.04474	23.2
96.99378	6.0
101.02390	31.9
109.02900	12.8
112.92883	6.3
114.05509	6.8
115.03922	64.5
123.28004	6.1
125.30085	5.4
127.03863	6.7
129.01836	65.0
132.06592	22.2
133.04976	7.6
137.05981	6.7
143.03416	33.4
147.02928	5.8
157.01343	69.5
158.97157	12.0
160.09636	9.8
161.04480	50.3
163.03935	13.6
164.09268	7.3
171.02910	7.6
176.98375	7.9
184.30748	5.7
189.03954	100.0
206.10239	23.2
207.05000	10.0
218.99324	13.9
224.01447	29.9
224.07718	9.0
224.11287	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	224.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82318	5.6
56.96570	26.4
57.03444	7.0
69.07131	6.3
69.74410	18.7
70.06595	8.9
73.02910	17.9
79.51096	5.3
82.02697	6.6
84.08145	77.3
97.02881	8.6
98.23188	11.3
98.97590	23.8
101.00917	6.0
101.02393	12.5
114.05475	7.7
115.03919	16.6
116.98629	16.4
119.01939	19.2
123.05505	9.2
129.01854	21.6
134.99716	8.0
137.02921	12.8
137.07127	13.6
142.03409	8.9
143.03445	9.1
150.02737	9.0
151.05048	16.8
157.01381	7.8
158.97234	10.0
159.73082	6.4
161.04491	18.4
165.06642	19.8
176.98312	16.7
177.00980	21.3
178.08658	6.8
179.11819	17.1
189.03946	27.2
201.00774	8.6
207.11275	100.0
211.98534	6.7
213.73318	6.2
218.99374	11.2
219.02007	17.4
224.07593	15.0
224.14000	52.5
242.02898	8.6
242.08771	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	224.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39597	0.2
64.35065	0.2
71.08617	0.5
71.45909	0.3
102.03463	0.5
108.64778	0.2
151.07512	2.7
171.05536	0.5
179.06035	63.0
180.06342	0.9
197.07111	8.1
206.12579	0.3
207.05525	70.3
208.05893	0.8
224.08167	18.5
224.13622	0.5
225.06578	100.0
226.06871	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.2009
Annotation	N-Isobutyldeca-trans-2-trans-4-dienamide
Peak:m/z	Relative Intensity
50.80915	0.5
53.03949	0.8
55.05290	0.7
55.05507	6.4
57.03431	0.6
57.07081	3.9
58.02941	0.7
60.04247	0.7
60.04527	10.1
61.06971	0.4
65.03930	1.7
67.05502	35.7
68.05007	1.2
69.05796	0.6
69.06709	0.6
69.07066	7.7
70.06583	0.8
70.32320	1.0
71.05002	0.6
71.08624	0.6
79.05492	11.7
80.05006	2.4
81.03391	0.8
81.05798	0.6
81.07054	20.7
81.33672	0.5
82.06570	5.7
83.04987	1.2
83.08616	3.2
91.05476	9.9
93.05791	2.9
93.07042	5.8
94.06559	7.6
95.04988	2.7
95.07348	0.7
95.08016	0.9
95.08601	12.1
96.08110	1.8
98.06036	0.6
101.95000	0.5
105.07021	5.1
107.08585	2.1
108.08116	7.8
109.06490	1.3
109.10153	6.2
112.07600	0.8
114.12710	0.5
116.98571	0.5
119.08577	2.1
120.62286	0.6
121.08831	0.6
121.10118	1.7
122.09641	1.3
123.11690	1.8
126.12713	0.8
128.14386	2.5
133.10143	1.5
135.11650	0.8
138.43040	0.5
147.11758	0.7
152.14279	0.7
157.44365	0.5
178.15923	0.6
194.19031	10.9
204.17558	0.9
206.19032	9.0
207.17445	1.0
216.04503	0.6
224.20081	100.0
225.20432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	21.5
66.03188	1.5
67.05500	2.1
70.57079	3.7
70.76214	1.5
82.99835	1.8
83.04986	3.2
84.96038	5.0
85.02893	2.0
90.25143	1.7
95.04945	3.2
98.97588	9.9
99.04432	2.4
101.00882	34.0
105.07015	2.5
111.04439	2.3
111.30838	1.8
116.98621	6.7
119.01917	100.0
123.04436	2.4
123.08052	1.9
124.02458	3.0
134.99698	4.6
137.02968	28.2
137.05992	2.9
142.03497	51.0
145.01491	1.6
151.03961	3.6
153.05507	2.0
156.03297	1.6
158.99875	6.1
160.04594	12.5
160.42465	1.7
161.02950	24.8
163.03880	4.0
165.05330	2.2
177.00931	44.2
178.00760	2.0
178.02177	4.6
179.04048	33.4
179.07028	4.5
182.99741	2.9
184.02046	4.0
184.04594	5.2
197.04465	3.8
201.00838	5.1
202.03795	2.6
202.05598	4.2
207.02954	2.0
207.06673	2.8
209.04474	3.7
209.12939	2.2
217.04088	4.7
219.01993	41.9
220.02084	6.2
225.04092	3.6
243.01942	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03264	1.1
60.06680	1.1
61.17249	1.1
70.45515	1.7
75.50532	1.2
82.99858	3.3
101.00875	44.2
114.37036	1.1
119.01917	100.0
120.02026	2.1
124.02460	5.7
132.17189	1.1
137.02953	17.7
140.96198	1.8
140.98805	2.1
142.03502	49.6
143.01950	1.4
151.14424	1.2
158.97180	6.3
158.99887	8.2
160.04562	9.2
161.02953	26.6
165.14888	1.1
176.98354	3.5
177.00946	47.6
178.01115	3.3
179.04016	29.4
184.04631	3.5
190.49509	2.2
192.20203	1.1
194.96500	1.1
199.50099	4.8
200.00139	3.9
200.98323	2.7
201.00974	3.6
202.05638	2.8
208.08694	1.2
217.04102	4.6
219.01991	45.0
220.00017	2.5
220.01993	9.6
225.00880	2.0
238.95668	2.6
243.01947	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	225.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05965	2.1
55.05511	5.5
57.03422	3.2
59.92174	2.9
67.05508	4.7
69.07063	3.3
69.76103	5.2
69.76457	6.6
75.76554	2.8
79.05486	6.4
81.03387	4.5
81.07051	9.5
83.04984	5.9
84.89420	2.9
91.05479	57.0
93.07027	5.2
95.04965	12.6
95.08598	6.7
98.09706	3.8
98.22783	3.6
99.04463	3.2
103.05458	6.1
104.99281	2.9
105.06989	4.1
107.04948	6.8
107.08576	6.3
109.06502	6.2
118.04147	6.1
119.01891	4.5
119.04939	52.2
119.08555	3.6
121.02891	4.3
121.06527	4.1
123.04400	10.8
123.08025	3.2
131.04068	2.7
132.02046	4.6
135.04401	5.0
137.05931	5.6
142.03499	3.0
147.04398	43.8
149.02319	8.4
149.09529	3.2
151.03938	13.1
151.07434	4.7
155.07002	5.7
157.03954	4.6
161.28548	2.9
162.05466	4.2
163.03801	6.2
164.04758	6.4
164.07018	9.9
165.05470	6.1
175.03909	60.8
179.03998	3.7
179.06984	15.7
180.04135	7.1
183.06541	8.8
192.04138	19.9
193.04997	8.7
207.06503	92.2
207.09961	6.7
207.37125	3.0
208.06128	4.3
225.07336	100.0
225.10927	12.2
225.19588	3.3
228.89490	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Sepedonin
Peak:m/z	Relative Intensity
51.77330	0.3
55.01874	1.5
56.96569	1.4
57.03433	0.7
65.03949	0.5
67.05499	0.7
68.99790	1.7
70.03403	0.3
70.03723	0.6
77.03912	0.5
79.05476	0.7
81.07059	0.4
83.04964	0.4
91.05471	1.8
95.04975	0.5
96.43250	0.3
98.97581	0.8
99.04449	0.6
105.07024	1.1
107.04945	1.1
109.02783	0.3
109.06528	0.4
111.04458	2.5
115.05461	2.1
116.68886	0.3
118.28320	0.3
119.04949	6.6
119.08607	0.4
121.02856	0.7
123.04387	1.3
125.05977	0.3
125.54160	0.3
127.03807	0.3
133.06497	4.6
135.04439	0.4
137.05957	1.3
139.03897	3.0
143.04967	0.4
145.06598	0.3
147.04410	13.7
149.02362	0.5
151.03880	1.3
153.05481	0.7
159.41440	0.3
161.05977	3.0
163.03900	100.0
164.04245	1.1
165.05476	10.7
166.02718	0.4
169.56839	0.3
171.04356	0.3
178.02011	0.5
179.03406	2.8
179.07021	2.6
189.05460	0.9
191.70622	0.3
193.01294	1.5
193.02789	0.3
197.04506	0.9
207.03108	1.6
207.06512	14.0
209.04579	0.5
210.01521	0.3
225.03923	1.0
225.07596	2.1
225.14914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.01600	0.4
53.03939	0.5
55.01855	0.7
55.05498	1.4
57.07058	0.6
57.29205	0.4
65.03930	2.9
67.05502	3.1
69.03423	1.5
69.04471	0.4
69.07073	0.9
70.60572	0.8
71.04980	1.0
79.05488	2.5
81.03415	0.5
81.07052	9.1
83.05005	0.9
85.02901	38.4
89.03894	1.4
91.05478	43.0
93.03393	0.9
93.07063	2.1
95.04974	3.7
95.08603	3.2
97.06503	1.1
99.04454	1.2
101.03912	0.9
103.05446	1.9
105.03383	0.8
105.07039	4.4
107.04933	1.8
107.08557	3.0
108.35637	0.4
109.06493	1.7
109.10151	5.4
111.04458	0.8
114.12393	0.4
117.03311	0.5
117.07008	0.6
117.12749	0.4
118.04142	6.0
119.04939	50.6
119.08568	5.3
121.02865	0.9
121.06499	2.1
121.10144	3.9
123.04404	2.1
123.08049	1.3
123.11704	29.6
124.44342	0.4
125.05985	1.8
125.09608	0.7
129.03374	0.8
129.04512	0.7
131.04942	0.9
131.08493	0.6
132.02069	3.9
133.01744	0.4
133.02856	1.2
133.10123	3.1
135.04396	1.8
135.08090	0.9
136.05174	1.7
137.05934	2.1
137.09618	2.1
139.07481	0.5
143.08543	1.0
145.02847	1.3
145.10158	0.8
146.03616	1.2
147.04405	39.7
147.08026	2.2
147.11699	1.4
149.02336	6.7
149.09607	3.9
151.07523	2.1
153.05429	1.3
155.07069	0.5
156.09393	0.6
157.03952	5.8
161.09624	3.3
161.13260	1.3
161.85323	0.5
162.03076	0.6
163.03929	1.6
163.07532	1.7
164.04674	4.5
165.05467	1.3
165.09102	2.3
165.12761	0.8
167.07043	0.5
167.10680	0.9
169.08617	0.8
173.02316	0.6
174.03125	1.5
175.03897	68.9
176.04279	0.8
177.01845	1.8
179.07014	4.4
179.10654	2.8
179.14288	0.6
180.04214	1.0
181.08516	0.7
183.06520	1.7
189.09094	1.2
189.12740	3.0
192.04161	23.0
193.04907	2.4
207.06514	100.0
207.13783	8.5
208.06926	1.4
225.07414	2.3
225.11174	1.1
225.14749	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	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.00305	0.6
55.01868	0.5
55.05512	7.8
57.07072	1.5
59.04992	1.9
65.03939	0.6
67.05506	2.8
68.99789	1.0
69.03432	1.4
69.07074	0.6
70.36968	0.6
70.43291	0.9
71.05003	1.0
79.05486	2.1
81.07056	13.1
83.01336	4.9
83.04984	3.2
84.46671	0.5
85.02904	74.5
91.05474	6.4
93.07044	1.7
95.04957	1.4
95.08612	4.4
95.35822	0.6
97.06503	1.0
101.05998	0.9
105.07024	4.2
107.04970	1.2
107.08589	3.7
109.06513	2.4
109.10146	7.1
115.05471	0.9
117.07005	4.8
119.04933	5.2
119.08583	3.3
121.06504	1.4
121.10145	6.0
123.04393	0.7
123.08064	1.8
123.11704	61.3
125.06005	6.3
125.09614	1.0
128.06137	0.6
131.08551	1.4
133.06505	0.6
133.10153	1.5
135.08055	6.3
137.05975	42.6
139.07547	0.8
139.11212	0.6
141.05397	0.6
143.08583	1.4
145.06493	3.1
145.10146	1.1
147.04398	4.0
147.08031	4.0
147.11705	3.2
148.05217	1.8
149.02373	0.6
149.09612	5.7
151.03915	0.8
151.07527	3.6
160.68121	0.5
161.05968	2.2
161.09613	5.0
163.07538	100.0
164.07990	0.6
165.05473	0.6
165.09174	1.0
165.12781	1.1
167.10699	1.1
169.08609	0.9
171.11537	0.6
175.03906	8.5
179.07146	0.9
179.10675	22.3
179.14279	0.9
183.06383	0.6
189.09097	8.9
189.12720	3.4
192.04181	2.2
193.04993	0.8
207.06723	12.9
207.10159	94.1
207.13655	14.7
208.10440	0.9
225.07635	1.3
225.11224	6.5
225.14738	4.5
225.16507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	3-Ethoxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
55.05508	0.5
57.07090	0.2
65.03934	1.3
67.05505	1.2
68.99801	0.6
69.03474	0.3
74.30023	0.2
80.05028	0.1
80.41331	0.1
83.04993	0.4
85.06587	0.1
93.03410	0.2
95.04967	4.2
95.08619	0.2
105.04502	0.2
108.02089	4.2
111.04445	1.3
121.04001	1.4
121.72513	0.2
123.04419	2.8
129.07082	0.2
133.10172	0.2
137.05972	0.6
141.05458	23.9
151.03897	100.0
152.04221	0.8
164.07097	0.2
165.09167	0.2
181.09747	0.4
189.09109	0.5
207.10152	23.5
208.10602	0.2
214.41815	0.2
225.09109	0.4
225.11095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
52.56428	0.5
53.03958	0.4
53.32788	0.4
55.01860	0.6
55.05508	3.8
57.86237	0.4
58.40205	0.5
59.04993	0.8
67.05491	1.2
67.42205	0.4
69.03413	0.8
69.07068	0.6
71.44848	0.5
72.95366	0.4
79.05489	1.7
81.07063	1.5
83.04985	2.2
85.02897	0.4
87.04447	0.5
91.05478	5.0
93.07050	1.0
95.04988	2.1
95.08591	1.8
99.08095	0.8
102.91592	0.5
103.05450	1.8
105.03363	0.4
105.07040	3.4
107.04964	4.1
107.08575	1.3
109.06514	3.1
111.04452	1.2
117.07008	1.0
119.04924	1.3
119.08572	3.9
121.06508	2.8
121.10140	1.5
123.04440	0.7
123.08067	13.1
123.73142	0.5
125.04308	0.4
125.05965	1.1
125.09663	0.5
128.06252	1.0
129.06996	7.6
131.04976	1.0
131.08534	1.4
132.01974	0.5
133.06488	1.6
133.10132	0.8
135.08073	3.5
135.11772	0.6
136.05107	0.6
137.05977	30.3
138.06738	1.3
139.07538	0.8
141.05452	2.3
141.07022	0.7
145.06520	0.7
146.07266	0.8
147.04434	1.0
147.08040	7.1
149.05997	0.6
149.09592	1.3
151.03934	7.3
151.07536	32.2
151.11223	0.7
151.16537	0.4
152.07715	0.4
157.06519	2.1
158.07281	0.9
159.04449	0.5
161.06004	0.6
161.09618	3.2
163.07544	32.4
164.08270	1.1
165.09114	6.6
165.12738	0.6
167.07152	0.4
167.10678	1.0
171.71173	0.5
174.06766	7.9
175.03940	0.7
175.07549	4.5
177.09128	0.5
179.07211	0.6
179.10675	18.6
189.09087	12.4
207.10159	100.0
208.10568	1.0
225.05629	0.5
225.11168	3.8
225.14752	0.7
225.19669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.18055	0.9
52.07701	0.8
53.03936	1.2
55.01872	1.2
55.05514	5.0
55.05736	1.1
57.03436	1.4
57.07071	2.1
59.04985	1.0
65.03945	1.2
66.91575	0.9
67.05504	9.2
69.03429	10.0
69.06716	1.4
69.07069	19.8
71.04993	14.8
73.06551	1.7
79.05501	8.2
81.07058	15.3
83.04989	6.4
83.08629	1.9
85.06529	2.6
90.70087	0.9
91.05470	9.9
93.07043	20.2
95.04969	7.7
95.08604	13.7
97.06532	9.9
99.04446	2.7
105.07034	21.5
107.04955	1.2
107.08588	14.5
109.06512	9.1
109.10154	15.6
111.04455	1.8
111.08082	21.3
115.07574	7.7
116.06239	0.9
117.07039	1.9
119.04928	2.4
119.08587	18.9
119.94221	0.8
121.06504	2.9
121.10149	45.4
123.04472	1.6
123.08072	18.9
123.11700	7.1
125.09641	1.2
128.06180	1.0
129.07025	1.3
131.08548	3.4
133.06488	2.7
133.10124	7.9
135.08029	2.5
135.11690	6.5
136.08931	0.9
137.05980	1.9
137.09613	28.1
137.13234	2.6
139.07487	0.8
139.11176	1.9
141.09105	1.3
143.08521	2.3
145.10117	3.1
147.04433	1.6
147.08014	5.0
147.11679	16.5
149.09616	100.0
150.09937	1.0
151.03897	3.0
151.07567	5.4
151.11160	16.7
156.09326	3.2
158.35483	0.9
159.08081	2.3
161.09601	4.4
161.13257	13.5
163.11139	6.2
165.09166	2.5
165.12758	19.5
167.10600	1.1
169.08583	0.9
171.11678	6.5
174.10382	4.0
175.03922	1.0
179.07071	2.1
179.14282	3.8
182.11807	2.3
185.08136	1.1
189.09119	1.0
189.12732	28.5
189.16257	1.6
207.06546	2.8
207.13809	20.7
225.11267	1.8
225.14842	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03909	0.6
53.22606	0.6
55.05505	2.8
56.90178	0.7
57.03433	2.0
59.04982	1.5
67.05501	4.8
69.03423	1.1
69.07068	1.8
69.80077	1.3
69.80465	1.2
71.05004	1.4
79.05495	3.2
81.03408	0.8
81.07050	4.8
83.04980	14.0
85.06546	2.0
91.05502	3.9
93.07050	6.0
95.04962	3.6
95.08592	9.2
97.06516	4.1
99.08091	5.3
105.07040	5.2
107.04961	1.6
107.08588	6.7
109.06519	16.8
109.10165	3.0
111.04454	8.0
111.08077	1.8
117.07025	0.8
119.01988	0.9
119.04887	0.8
119.08578	5.4
121.06480	3.4
121.10138	10.2
123.08065	100.0
123.11666	1.4
125.06016	1.7
125.09606	3.7
127.07542	1.6
128.06244	0.7
129.06990	1.1
131.08588	0.9
133.06488	0.8
133.10133	2.4
135.07990	1.1
135.11668	2.7
137.05977	5.1
137.09621	3.4
137.13268	0.7
147.08058	0.9
147.11717	3.0
149.09610	8.1
151.03902	0.7
151.07521	4.4
151.11183	5.0
155.27461	0.7
161.13306	1.9
163.07509	3.9
163.11185	4.7
165.09111	1.9
165.12743	2.0
167.07036	1.1
167.10699	6.8
169.08638	1.6
171.11740	1.0
175.03935	0.9
179.10620	3.1
179.14203	0.7
181.12207	1.9
187.51123	0.7
189.12708	2.4
193.04907	0.8
199.67432	0.6
207.06532	1.2
207.10179	7.5
207.13773	8.4
225.09183	0.9
225.11142	1.1
225.14844	8.5
225.19644	0.7
230.85814	0.7
236.28755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05510	2.5
67.05495	5.9
69.03438	2.0
69.07066	2.8
70.00097	2.7
71.04996	12.7
72.25751	1.0
79.05490	5.8
81.07046	5.8
91.05488	7.1
93.07049	15.6
95.04975	2.2
95.08613	3.8
97.06528	3.0
105.07035	16.5
106.04356	1.0
106.07777	1.1
107.08587	6.9
109.06509	3.2
109.10159	15.3
119.04964	1.3
119.08575	13.5
121.06509	2.3
121.10149	40.3
123.08076	4.2
131.08598	3.4
133.10117	5.1
135.08022	1.5
135.11691	2.8
137.09619	30.2
137.13239	1.2
139.80875	1.1
143.08540	1.7
145.10115	3.2
147.08052	3.9
147.11681	9.9
149.09616	100.0
151.07567	2.2
151.11253	1.4
156.09322	3.3
159.08031	1.7
161.09645	1.8
161.13278	10.0
163.11200	1.6
165.12747	2.1
171.11742	6.1
174.10468	3.7
189.12749	24.6
207.13795	7.8
216.75020	1.4
225.14919	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.73980	0.6
55.05506	1.5
57.07074	2.6
65.46365	0.6
67.05517	3.7
69.03426	1.1
69.07054	0.8
70.75880	0.9
71.04982	1.1
79.05499	3.2
81.07058	20.6
83.04987	0.9
85.02907	100.0
91.05490	7.5
93.07058	3.1
95.04974	1.8
95.08617	5.9
97.06526	0.9
105.07035	4.8
107.08593	4.8
107.65070	0.6
109.06499	1.5
109.10164	10.4
116.98836	0.6
119.04932	6.2
119.08556	4.9
121.10133	7.7
123.08093	1.5
123.11707	79.9
124.12070	1.3
125.05979	6.1
125.09644	0.9
131.08565	1.4
133.10112	0.9
137.09648	1.1
145.10135	1.6
147.04422	5.1
147.08034	2.1
147.11713	3.0
149.02362	1.0
149.09612	8.5
151.07532	3.5
161.09592	1.2
161.13293	1.3
164.04724	0.7
165.09102	0.8
165.12753	1.0
167.10587	0.8
169.08614	0.9
171.11589	0.8
175.03928	8.1
179.14270	1.5
189.12740	3.7
192.04260	3.5
207.06529	12.3
207.09825	0.6
207.13803	18.4
224.36485	0.7
225.14853	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.80100	1.3
55.05515	4.9
57.07070	5.2
58.06601	1.5
59.05003	2.8
62.98485	1.2
67.05505	24.4
69.00449	1.1
69.03427	2.7
69.50493	4.9
79.05493	4.3
81.07059	5.2
83.04985	1.4
85.06545	10.1
85.24754	1.2
86.62755	1.2
91.05469	5.5
93.07034	7.4
95.04955	3.7
95.08604	100.0
97.06539	1.4
104.39254	1.1
105.07018	6.5
107.04965	2.1
107.08585	7.6
109.06525	3.1
109.10154	1.3
109.58765	1.3
113.06012	8.0
117.07006	1.8
119.04972	2.4
119.08584	14.4
121.06516	4.1
121.10131	5.5
123.04462	2.4
123.08077	29.0
123.11682	2.9
133.06549	1.3
133.07596	1.1
133.10123	1.9
135.11702	12.5
135.78917	1.2
137.05968	2.3
137.09668	1.9
140.10669	3.1
141.09081	3.0
147.04401	2.0
147.11690	5.0
149.09621	19.1
151.03947	1.8
151.07532	1.8
151.14865	3.4
161.05946	1.9
161.09645	2.2
161.13249	8.3
163.11177	1.7
165.12790	4.7
168.10188	2.9
175.03850	2.4
189.09090	1.4
189.12798	7.6
192.04222	3.7
207.06503	6.9
207.10263	2.0
207.13799	6.7
225.07372	2.4
225.14783	2.0
248.63437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
51.42356	1.3
53.03945	9.1
55.01884	7.8
55.05260	2.5
55.05513	44.3
57.03426	9.0
57.07064	1.8
59.04998	3.8
60.85649	2.2
61.02920	1.9
65.03937	5.2
67.05505	63.8
68.99780	6.2
69.03427	5.4
69.07073	18.0
69.36086	7.1
71.01324	4.7
71.04991	19.7
73.06554	1.8
78.22392	1.6
79.05047	2.5
79.05495	41.1
81.03419	17.4
81.07058	74.2
83.04983	17.5
83.08624	8.8
85.02895	3.0
85.06544	16.6
86.60917	1.6
87.04449	4.0
87.08105	2.0
89.17188	1.8
91.05480	45.2
93.07051	25.6
95.04955	19.0
95.08021	3.0
95.08604	42.3
97.06538	36.2
97.10173	5.7
99.04452	3.4
99.08080	4.6
101.06062	2.4
105.06355	2.5
105.07034	40.7
107.04977	4.4
107.08591	16.9
109.06513	19.4
109.10152	10.4
111.04430	5.4
111.08065	12.6
113.06005	9.2
113.09593	1.6
117.06950	2.6
119.05018	1.8
119.08575	28.3
121.06491	2.3
121.10134	14.4
122.57243	1.8
123.04436	1.8
123.08069	13.7
123.11719	6.1
125.06010	3.0
125.09630	2.6
127.07539	1.9
129.07019	5.7
131.08551	9.0
133.06485	2.4
133.10135	23.0
135.08015	3.3
137.05934	1.8
137.09615	6.9
143.08502	1.7
147.08060	4.0
147.11687	45.9
149.09619	4.0
150.04376	1.6
151.07500	2.0
151.11159	5.6
157.10172	10.4
165.09157	3.9
165.12733	9.0
167.08356	1.5
169.83434	1.6
174.12946	1.6
175.11182	12.7
179.10706	2.3
179.14311	5.2
183.13847	2.0
193.12254	18.6
197.13733	1.3
197.15359	40.1
207.13768	6.7
211.13402	3.8
225.05473	4.6
225.14847	100.0
240.09317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
50.19423	0.3
67.05492	0.4
69.07054	1.5
69.48592	1.3
79.05470	0.6
81.07087	0.4
91.05473	2.6
93.07043	1.0
95.04955	0.6
95.08601	0.5
103.05424	0.4
108.05737	0.7
109.06506	0.7
119.04904	0.3
121.06495	3.0
123.08041	2.6
136.05190	2.1
137.05917	0.3
139.07532	0.8
149.07106	0.4
151.07533	100.0
152.07860	0.7
165.09177	0.7
191.36880	0.3
203.76930	0.3
205.48741	0.3
207.13803	13.6
225.14890	0.4
242.51683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	1.1
57.48771	0.9
67.05511	3.3
69.03438	1.6
69.07050	2.3
70.69192	1.0
79.05493	2.8
81.07053	2.5
83.04973	1.2
83.08626	1.3
91.05480	6.8
93.07053	2.3
95.04961	3.0
95.08614	1.9
97.06538	1.0
99.04434	1.9
105.07040	2.5
107.04956	3.1
107.08578	2.1
108.05801	1.0
109.06533	2.9
109.10148	8.2
111.08099	0.9
119.01936	1.0
119.04920	3.3
119.08594	2.4
121.06507	3.1
123.08096	1.8
125.05996	1.3
133.10147	2.8
136.05215	3.3
137.05980	1.8
137.09604	11.5
147.04419	3.1
147.08083	1.1
151.07542	100.0
161.09618	7.4
165.09122	14.4
175.03952	4.6
178.99654	0.9
179.10649	1.7
192.04204	1.3
207.06544	5.1
207.10182	2.4
207.13826	13.9
212.71164	0.8
225.09268	1.5
240.96196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	1.1
57.48771	0.9
67.05511	3.3
69.03438	1.6
69.07050	2.3
70.69192	1.0
79.05493	2.8
81.07053	2.5
83.04973	1.2
83.08626	1.3
91.05480	6.8
93.07053	2.3
95.04961	3.0
95.08614	1.9
97.06538	1.0
99.04434	1.9
105.07040	2.5
107.04956	3.1
107.08578	2.1
108.05801	1.0
109.06533	2.9
109.10148	8.2
111.08099	0.9
119.01936	1.0
119.04920	3.3
119.08594	2.4
121.06507	3.1
123.08096	1.8
125.05996	1.3
133.10147	2.8
136.05215	3.3
137.05980	1.8
137.09604	11.5
147.04419	3.1
147.08083	1.1
151.07542	100.0
161.09618	7.4
165.09122	14.4
175.03952	4.6
178.99654	0.9
179.10649	1.7
192.04204	1.3
207.06544	5.1
207.10182	2.4
207.13826	13.9
212.71164	0.8
225.09268	1.5
240.96196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03948	4.4
55.01873	6.5
55.05493	0.7
57.03432	2.4
66.34812	0.6
67.05500	6.3
69.03428	1.1
70.00329	1.9
71.04996	20.7
73.02906	0.7
77.03934	1.9
77.23160	0.6
79.05043	1.1
79.05495	18.7
81.03417	42.2
81.07053	3.0
83.04982	2.0
85.02903	14.1
87.04472	1.3
91.04946	1.2
91.05483	20.7
93.07046	26.0
95.01325	1.1
95.04967	18.6
95.08582	1.0
97.02890	1.3
97.06533	9.0
99.04460	1.5
103.05473	23.8
105.04510	1.2
105.07032	22.2
105.07741	1.4
105.52425	0.6
106.03155	0.7
107.04971	3.1
107.08585	4.3
109.06540	3.2
111.04380	1.0
113.06000	6.6
115.03938	1.4
115.05469	0.9
117.07015	18.6
119.04919	2.8
119.08558	1.2
121.06506	32.3
125.05973	0.7
131.04918	4.6
133.06412	0.9
135.08060	14.3
137.06009	1.4
139.03871	0.9
139.07501	4.4
141.05461	3.0
145.06505	3.6
147.04442	2.9
147.08026	0.7
149.05972	17.9
153.09113	2.5
155.05972	0.7
163.07544	28.1
165.05434	1.7
167.07036	100.0
168.07442	0.9
181.05020	1.0
181.08598	25.5
191.07027	1.9
199.09647	2.2
209.08081	25.3
227.09129	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	227.0915
Annotation	Cladobotrin VI
Peak:m/z	Relative Intensity
55.01869	4.6
55.05512	5.7
58.30614	0.7
59.04982	1.0
65.03927	3.6
67.05486	3.4
68.99776	2.4
70.48927	0.8
70.49248	0.8
73.02917	19.2
77.03912	0.8
79.05495	2.2
81.07032	1.3
83.04971	1.6
85.02887	2.1
91.04006	0.9
91.05478	4.1
93.03392	1.2
93.07034	2.7
95.04977	6.2
95.08588	1.8
96.36069	0.6
97.06523	2.1
99.04468	0.8
100.11287	1.8
101.06031	1.3
107.04947	3.8
109.06470	1.0
110.03661	1.5
111.04445	13.8
114.43926	0.7
117.07005	1.9
119.04948	26.2
121.06512	2.9
123.04439	7.7
125.02351	1.1
125.05982	1.4
126.89832	0.7
127.03941	0.8
135.04430	1.2
135.08046	7.5
137.05933	1.6
139.03900	40.3
140.04683	20.6
145.06450	2.2
147.04410	75.2
149.05998	7.5
149.09654	0.9
153.05463	7.0
155.07040	31.3
163.03925	4.6
163.07545	26.4
165.05476	57.5
167.07057	1.9
171.06534	1.5
173.05949	2.5
173.08093	0.8
179.07072	1.3
181.04961	49.5
181.08501	4.7
191.07040	16.0
209.08090	100.0
210.08487	1.3
227.09135	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.60727	0.6
53.03940	3.3
54.33863	0.5
54.86930	0.5
55.01867	4.9
55.05503	1.4
57.03428	1.9
59.48914	0.6
65.03940	0.9
67.05508	6.7
69.03420	1.6
69.07066	0.8
70.06926	1.6
71.04994	17.2
73.02898	1.1
77.03919	1.0
79.05047	0.9
79.05491	15.9
81.03419	37.4
81.07043	2.6
83.04972	1.9
85.02902	12.7
85.06539	1.7
87.04473	1.7
91.04939	1.1
91.05481	16.2
93.07045	22.8
95.01254	0.7
95.04967	15.1
95.08601	2.7
97.02930	0.7
97.06528	9.2
98.22839	0.7
98.97566	0.7
99.04468	1.5
100.11266	2.7
103.05464	18.0
105.04507	1.2
105.07030	20.6
107.04966	2.7
107.08588	6.7
109.06518	2.0
109.10176	0.8
111.08060	2.1
113.06012	6.4
115.05425	1.1
117.07018	18.1
119.04930	1.4
119.08599	2.3
121.06506	25.9
121.10120	1.7
123.08077	1.2
125.09599	3.1
129.61047	0.5
131.04910	2.7
131.08557	1.1
133.10130	0.8
135.08055	14.3
137.05984	1.4
137.09634	1.1
139.07558	4.8
141.05479	3.9
145.06470	2.5
149.05981	15.8
149.09615	0.9
149.13304	1.3
153.09113	2.9
161.13132	0.6
163.07549	25.7
163.11140	0.7
163.14819	1.3
165.09103	0.6
167.07037	100.0
173.13242	1.1
179.14270	0.7
181.08594	27.2
191.07129	1.3
191.10683	0.8
191.14397	0.8
197.15372	1.1
199.09636	4.7
209.08080	32.0
209.15289	1.3
225.04274	0.6
227.09129	17.2
227.16614	0.5
231.32007	0.6
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
55.01657	0.5
55.01873	5.6
65.03938	5.6
67.05510	2.3
69.03402	0.7
69.07063	0.9
69.82697	1.1
69.83034	0.7
73.02917	40.5
75.81299	0.4
77.03902	1.2
77.87144	0.5
79.05487	1.1
81.07024	0.5
82.04185	2.1
85.02910	3.7
91.05463	1.5
91.81101	0.4
93.03405	1.5
93.07067	1.0
93.45874	0.4
95.04959	5.0
95.08593	0.7
97.06513	2.0
100.11246	1.3
105.04530	0.6
107.04939	0.9
108.02096	0.9
110.03682	2.8
111.02701	0.6
111.04458	0.8
121.06485	0.8
123.04427	10.0
125.02334	1.8
125.05989	1.7
137.06015	0.6
138.03130	2.4
139.03882	0.7
140.04680	48.7
147.04427	1.0
150.02608	0.5
153.05443	8.1
155.07024	81.7
166.06212	0.7
167.07060	3.6
171.06520	4.9
173.08078	2.6
179.06992	2.7
181.04950	100.0
192.47328	0.5
209.08087	27.9
227.09135	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01864	1.0
55.05500	1.8
57.03423	1.2
57.07067	0.6
59.05004	0.9
67.05510	3.1
69.03413	1.2
69.07061	2.7
71.04988	3.1
73.02910	1.8
77.03910	1.8
79.05486	5.0
81.03402	0.8
81.07062	2.7
83.04971	1.4
83.08614	0.9
85.02908	0.3
85.06536	5.7
86.09681	0.8
89.70976	0.3
91.05470	1.8
92.02612	1.2
93.07045	4.3
95.04964	13.5
95.08612	2.5
97.06532	2.5
97.10162	0.5
99.04456	1.3
99.08099	2.8
100.11248	3.7
105.03382	0.4
105.04517	1.9
105.07015	2.2
107.04955	1.8
107.08589	3.8
109.06488	2.2
109.10117	1.0
111.04439	1.3
111.08083	0.9
113.05980	0.4
113.96404	0.8
115.07580	1.0
117.07001	0.7
119.08579	2.2
121.06515	1.7
121.10138	4.6
123.04424	0.7
123.08061	1.1
123.11707	1.3
125.05959	1.1
125.09665	2.0
127.07541	1.2
129.07051	0.5
131.08560	3.8
131.97440	0.5
133.10135	2.9
135.04408	100.0
135.08022	1.1
135.11676	0.9
136.04750	1.0
137.09599	1.0
139.03889	0.5
139.11163	1.3
140.04683	1.7
145.10110	2.0
147.04393	0.5
147.08044	0.4
147.11664	1.2
149.05994	0.4
149.09596	3.9
149.13248	0.7
153.05490	2.2
153.09079	2.9
153.12717	0.5
154.85497	0.3
155.07039	2.9
163.07574	1.1
163.11180	1.8
163.14856	0.6
165.09119	1.1
167.07060	2.9
167.10661	2.3
171.06529	0.5
171.10208	0.9
173.09601	0.8
173.13268	1.5
177.05476	0.8
179.14352	0.5
181.02783	0.3
181.03389	0.6
181.04970	6.1
181.08662	0.6
181.15875	0.4
185.36568	0.4
191.10675	3.5
191.14297	1.2
195.06441	0.5
209.08063	3.0
209.11708	4.3
209.15350	1.7
227.09099	2.0
227.12796	1.6
227.16222	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	227.0914
Annotation	Genipin
Peak:m/z	Relative Intensity
54.71307	0.4
55.01616	0.8
55.01870	8.3
55.05501	0.8
57.03432	1.2
67.05502	3.6
68.99786	1.0
69.03426	0.7
70.51332	0.8
71.04997	0.6
77.03923	0.7
79.05489	15.3
81.02992	0.6
81.03404	3.0
81.07050	5.4
83.01347	0.5
83.04962	1.5
83.08598	0.5
85.02884	0.9
91.05479	18.5
93.03419	0.7
93.07038	10.5
94.02785	0.4
95.04965	4.2
95.08601	1.4
97.02853	0.8
101.70432	0.4
103.05443	1.3
105.03425	0.5
105.07023	1.9
107.04955	7.7
107.08583	10.2
109.06515	4.5
111.04446	3.6
111.08097	1.1
115.05460	2.9
117.07019	25.1
119.04939	3.0
119.08575	8.5
121.02849	0.7
121.06500	27.8
122.06882	0.4
123.04431	1.3
125.06019	2.4
125.09648	0.5
129.06989	0.5
131.04898	0.4
135.04367	0.8
135.08051	42.4
136.08696	0.5
137.05969	5.2
137.09579	1.2
139.03894	3.9
139.07460	1.0
145.06480	23.1
147.04405	6.7
147.08043	8.1
148.05086	0.5
149.05997	4.1
151.07581	0.4
153.09091	10.5
155.06015	1.1
155.07039	1.7
163.07533	100.0
165.05495	3.9
165.09125	1.9
167.07056	2.7
181.08591	47.7
183.06548	0.8
191.07028	11.9
191.08707	0.9
199.09633	4.2
209.08070	6.7
227.09143	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03949	3.6
54.06741	0.3
55.01876	0.8
65.03938	0.3
77.03922	5.8
81.03426	0.6
81.07042	0.3
89.06032	26.5
91.05479	17.0
91.06059	0.7
93.07044	37.7
95.04966	24.3
95.05602	0.4
103.05467	11.7
105.04514	10.4
105.94297	0.3
107.02862	0.2
107.07097	0.3
113.96421	0.7
117.07021	0.4
118.06551	0.9
119.04946	1.4
119.08588	0.9
121.06503	100.0
122.06829	0.7
130.08649	0.8
133.08601	3.2
138.30827	0.3
139.07541	1.9
147.08049	2.1
165.09106	12.1
183.10201	0.3
227.12717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.95649	1.3
54.24424	1.2
55.01878	4.8
55.05508	4.4
57.03447	1.6
57.07082	7.3
65.03942	2.7
67.05507	24.9
69.03445	1.2
69.07064	5.9
70.54874	1.5
71.04996	18.3
73.02921	9.2
77.03936	1.3
79.05490	26.5
81.03429	1.7
81.07051	6.8
83.04990	5.6
85.02925	1.8
85.06545	100.0
91.05486	20.6
93.07047	24.0
93.07601	2.0
95.04977	12.1
95.08595	2.6
97.06547	4.8
99.08118	3.8
100.11236	6.7
103.05476	3.1
105.07033	16.7
107.04952	12.6
107.08595	26.8
107.09260	2.3
107.19375	1.4
109.06490	6.1
110.03690	1.2
111.04456	10.7
115.05470	1.6
117.07008	7.1
119.08574	17.4
121.06509	16.2
121.10154	20.0
123.04436	3.4
123.08068	1.4
125.06022	8.8
129.07018	5.1
131.04964	2.1
131.08566	62.0
133.10104	2.9
135.04425	44.2
135.08078	5.4
135.11682	4.9
137.05981	7.5
137.09595	6.3
138.03087	2.1
139.07558	3.5
140.04684	10.8
143.07024	1.4
145.06432	1.4
145.10123	25.5
147.08032	4.6
149.05994	4.6
149.09615	64.8
151.07590	4.0
153.05463	7.5
155.07028	14.6
163.07521	6.9
163.11182	23.5
165.09125	11.7
167.07060	10.1
167.10687	31.0
171.06534	2.0
173.09634	7.2
179.10777	1.4
181.04936	25.7
181.06378	1.8
181.08618	2.3
191.10672	64.1
197.11717	1.8
209.08159	13.8
209.11720	52.7
227.09152	8.1
227.12784	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	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03940	2.4
55.01874	6.8
55.05223	0.7
55.05508	14.7
57.03423	2.8
57.07053	1.9
61.49356	0.6
65.03943	0.7
66.22975	0.5
67.05502	19.0
69.03429	1.5
69.06775	0.6
69.07069	8.3
69.19357	1.7
69.19764	2.1
71.04971	2.3
73.02914	2.0
77.03909	0.7
79.05492	26.9
79.05952	1.6
81.03416	4.0
81.07053	23.1
83.04963	4.2
83.08619	10.4
85.02906	0.6
85.06522	1.1
91.05482	7.6
92.94787	0.6
93.03384	0.7
93.07043	41.1
95.04969	7.2
95.08604	47.8
97.02898	4.3
97.06550	4.2
97.10174	1.5
98.23536	1.2
99.04458	6.0
100.11253	1.1
103.05459	0.8
105.04556	1.0
105.07037	7.0
107.04964	10.0
107.08588	33.1
109.06504	2.1
109.10160	3.1
111.04441	1.8
111.08077	1.4
117.07015	11.4
119.08581	10.0
121.06509	7.4
121.10141	13.9
123.08060	1.2
125.06012	3.6
125.09532	0.8
130.07773	1.7
133.10124	2.5
135.08044	2.2
135.11688	54.9
139.07526	1.8
145.06502	0.9
145.10118	32.0
153.12714	0.8
163.11177	72.2
164.11508	0.9
167.07060	1.0
173.09651	1.4
181.12222	17.2
194.08769	0.6
201.94600	0.6
208.53763	0.6
209.11713	2.0
227.12769	100.0
228.13170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51925	0.4
53.03948	0.9
55.01868	0.9
55.05511	4.3
56.02649	1.1
65.03941	0.7
67.05504	20.0
69.07068	3.1
69.16119	2.8
70.43021	0.4
71.04993	100.0
72.05308	0.6
79.05491	7.1
81.07056	26.9
83.04993	1.0
83.08628	3.0
85.06549	2.0
91.05481	4.6
93.07051	12.3
95.04979	1.7
95.08605	17.6
97.06522	3.1
97.10188	1.0
97.72492	0.4
99.08104	1.0
100.11287	0.6
105.07020	2.3
107.08591	4.4
109.06535	1.5
109.10146	2.5
111.08091	2.1
113.06050	0.7
113.96429	0.6
115.02988	0.5
117.07024	3.0
119.08562	1.2
121.06525	0.7
121.10159	1.6
123.08101	0.5
125.09653	0.8
125.30745	0.4
131.08580	3.7
133.10117	4.6
135.08031	0.8
135.11685	8.7
149.13249	5.1
155.72501	0.5
159.11710	6.6
168.17812	0.5
175.14856	1.0
177.12704	3.5
193.15915	0.8
195.13724	2.3
206.41418	0.5
209.15446	2.1
211.75230	0.5
211.81360	0.5
227.09195	0.7
227.12578	0.7
227.18027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.64496	0.6
53.03931	1.5
55.01867	0.8
55.05513	3.7
55.05740	0.7
55.73038	0.6
56.02634	0.8
67.05503	20.7
69.06711	0.6
69.07065	2.9
70.50079	0.9
71.04991	100.0
72.35061	0.6
79.05486	7.9
81.07053	27.5
81.30956	0.6
83.04986	1.4
83.08616	2.2
85.06548	2.6
91.05480	4.7
93.07038	14.4
95.04939	1.2
95.08604	14.8
95.15228	0.7
97.06532	3.9
99.08111	1.4
100.11275	1.9
105.07014	3.2
107.08596	5.5
109.06554	1.1
109.10181	1.9
111.08096	2.1
113.96411	1.8
117.07030	4.0
119.08588	1.1
121.10159	1.7
123.08067	0.9
131.08563	4.1
133.10109	4.6
135.08089	1.2
135.11687	11.0
147.86237	0.7
149.06003	1.3
149.13292	4.8
159.11690	9.3
171.11635	0.6
175.14890	0.7
177.12738	3.5
195.13876	2.4
209.15451	2.9
227.12996	0.8
227.15515	3.3
227.17943	1.5
241.38686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.42656	0.8
55.01868	1.0
55.05508	6.3
57.03423	1.1
57.07068	3.8
57.31707	0.9
59.05000	1.8
63.99611	0.8
67.05501	4.7
69.03419	3.2
69.07066	19.5
69.75276	3.1
69.75674	0.8
71.05011	1.3
72.49921	0.9
77.03946	0.9
79.05492	11.0
81.03475	1.0
81.07055	32.0
83.04974	1.9
83.08609	3.3
85.06541	1.1
87.04465	14.4
87.44199	0.9
91.05486	6.9
93.07047	36.6
95.05007	2.2
95.08604	11.1
97.06528	4.2
97.10183	1.5
99.08095	1.1
100.11263	2.6
105.07028	13.8
107.08590	10.5
109.06530	4.0
109.10149	2.8
111.11715	4.2
119.08600	7.0
121.06527	1.5
121.10146	71.6
123.08057	6.2
123.11707	57.8
125.09643	2.9
127.11180	2.5
131.08600	2.4
133.07625	1.3
133.10089	4.3
135.08075	2.7
135.11722	2.0
137.09612	3.6
137.13239	2.8
139.11192	3.7
147.11697	8.8
149.09612	33.9
149.13243	2.5
151.11180	29.6
153.05461	2.8
153.09094	2.3
163.14819	2.4
165.12744	7.1
167.07071	8.0
167.10675	100.0
173.13263	4.3
177.05254	1.1
181.04994	1.6
181.12268	0.9
191.10689	1.6
191.14290	6.5
209.15347	4.2
227.16347	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
55.01854	4.5
55.05506	7.7
57.03417	5.9
57.07064	5.9
59.04995	7.2
63.65762	1.2
67.05497	8.7
69.03422	2.5
69.07086	8.9
69.07384	1.6
71.04637	2.1
71.04993	24.5
73.06530	3.1
79.05502	8.2
81.07053	15.8
83.04967	3.8
83.08604	6.3
85.06564	9.9
91.05483	7.0
93.07045	26.1
95.04967	100.0
95.08596	17.3
97.06527	20.3
97.10123	3.2
99.04454	14.6
99.08096	20.8
100.11247	6.7
105.07024	11.5
107.08596	26.1
109.06504	19.9
109.10133	12.9
111.08067	7.4
113.06007	2.8
113.09652	1.6
115.07539	6.4
117.06984	1.5
117.87655	1.6
119.08581	9.2
121.10133	20.8
123.08036	4.4
123.11687	6.4
125.05941	1.9
125.09634	10.6
127.07545	10.6
131.08530	6.1
133.10126	37.8
135.08017	6.0
135.11694	7.5
137.09641	2.8
139.11185	13.4
143.10669	7.0
145.10066	2.9
147.11685	10.4
149.09604	3.0
149.13228	9.2
151.11143	6.3
153.09097	27.0
157.77986	1.6
163.11208	2.6
163.14815	5.7
165.12753	4.9
167.07007	4.1
169.08632	9.1
171.10159	25.0
173.13232	16.2
177.05521	2.1
181.12164	1.9
191.14301	14.4
197.29321	1.5
199.11095	2.8
209.15326	27.4
227.10724	7.9
227.16383	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03944	3.4
55.05504	16.4
57.03433	9.2
57.07076	4.5
59.04992	6.4
67.05500	27.9
69.03430	7.7
69.07081	18.4
69.29080	16.3
71.04987	37.2
73.06563	3.3
75.04475	5.1
79.05487	22.4
81.07058	43.7
83.04979	4.0
83.08633	10.1
83.63678	2.5
85.06538	21.4
91.05470	21.5
93.07042	42.6
95.04963	100.0
95.08607	44.1
97.06514	27.1
98.23537	2.7
99.04466	14.9
99.08079	40.1
100.11256	20.4
105.07023	19.1
105.97059	2.9
107.08595	43.4
109.06519	31.3
109.10156	24.6
111.08074	9.0
115.07604	8.0
119.08565	10.1
121.06510	5.8
121.10136	39.4
123.08051	6.4
123.11725	11.0
125.05990	5.2
125.09632	10.9
127.07504	18.6
129.07014	3.7
131.08578	18.4
133.10120	50.5
135.08076	10.3
135.11694	9.7
137.09624	10.0
139.07471	4.0
139.11131	15.9
143.05280	3.1
143.10643	4.9
145.10123	4.8
147.11664	20.4
149.05960	4.9
149.09685	5.2
149.13231	34.6
151.11201	14.1
153.09090	37.8
153.12706	8.1
158.10851	3.1
163.14827	21.7
167.06999	13.6
171.10162	12.0
171.27458	4.0
173.13220	35.2
181.08620	3.4
183.71309	2.8
191.14279	36.9
194.86192	3.0
209.08176	7.0
209.15253	24.7
227.10713	4.9
227.14256	8.1
227.16264	61.4
242.33406	3.1
248.08267	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	(+)-9,10-Dihydro-7-iso-jasmonic acid
Peak:m/z	Relative Intensity
50.13717	0.9
53.03952	1.3
53.40463	0.9
55.05503	3.0
56.02652	1.6
57.07072	1.3
63.52200	0.9
67.05164	1.2
67.05510	19.5
69.07070	3.1
71.04996	100.0
76.26357	1.0
79.05501	7.1
79.88803	0.8
81.07063	26.4
83.04965	1.1
83.08598	3.1
85.06543	1.6
91.05513	4.4
93.07056	12.3
95.08607	12.8
97.06525	3.6
97.10155	2.4
97.39226	1.0
100.11266	3.3
105.07008	2.4
107.08611	5.9
109.10151	1.4
111.08100	1.9
113.96397	1.7
117.07018	3.2
121.10141	2.2
125.09568	1.3
131.08582	3.8
131.97440	1.3
133.10114	2.9
135.11693	8.8
149.13277	5.0
154.18816	1.0
157.10106	0.8
159.11694	6.9
177.12817	4.5
186.22221	1.3
195.13873	2.5
202.09119	0.9
209.15254	2.1
227.12772	3.2
227.17805	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	228.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97123	0.6
56.05029	2.5
56.96568	13.9
58.33318	0.5
59.66790	0.6
60.08155	0.7
70.06597	5.3
76.91740	0.6
84.08146	100.0
84.95999	0.7
85.08479	1.0
98.09701	0.8
98.23292	0.8
98.97586	79.7
100.11256	0.8
116.98623	30.5
130.39896	0.6
134.99654	8.0
140.00157	1.6
142.08649	3.6
150.02231	3.0
153.00745	0.8
156.03290	2.9
157.05113	0.7
158.01283	1.3
168.03326	7.9
174.04449	1.3
181.00371	0.6
182.04890	2.5
184.02748	0.7
186.00798	0.7
186.04369	9.2
186.05836	0.8
200.05966	10.7
202.03909	1.8
204.01657	0.9
204.05400	5.0
210.04347	1.0
218.06958	2.7
220.04945	0.8
222.06438	1.8
228.05424	46.9
229.15491	11.7
239.35153	0.7
246.06503	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	Benzyl salicylate
Peak:m/z	Relative Intensity
50.18344	1.6
50.95168	1.7
55.01876	3.8
55.05508	4.6
57.03442	11.9
61.25842	1.5
65.03944	2.9
67.05512	17.6
69.03422	2.6
69.07042	1.7
69.61634	5.0
69.62026	3.5
71.04986	1.9
72.84708	1.8
79.05510	4.9
81.03418	10.2
81.07061	6.3
83.04973	3.8
83.08626	5.7
85.02911	2.6
85.06548	3.0
91.05479	100.0
93.07052	3.2
95.04984	4.8
95.08633	3.7
97.10162	1.9
99.04357	1.7
104.75762	1.6
105.03385	3.1
105.07063	3.0
107.08572	2.5
109.06512	3.0
109.10166	16.9
119.08607	4.5
121.06454	2.0
121.10162	1.8
123.08052	2.7
125.47253	1.5
129.07002	1.9
131.08530	2.4
133.02864	2.2
133.68176	1.6
135.30386	1.7
139.11211	1.9
146.91818	2.4
147.11710	2.4
151.03888	12.3
153.07047	2.7
154.07768	1.6
155.08511	2.7
155.90175	1.5
157.10188	1.9
165.07072	5.5
167.10648	3.9
173.11763	3.0
175.11215	4.2
193.12219	10.6
211.07527	53.9
211.13260	15.0
228.23196	4.3
229.08658	8.8
229.12280	3.7
229.14337	5.1
229.23549	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	229.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.88916	0.3
64.55513	0.3
64.85730	0.3
67.05523	0.4
70.06591	0.4
70.11663	0.5
78.04707	2.3
79.05481	1.1
81.07066	0.6
86.09648	0.3
91.05466	1.6
93.07049	1.4
95.04961	1.3
95.08588	0.3
96.05728	0.3
99.08068	0.3
103.05450	1.0
105.04550	0.3
105.07034	0.9
106.04185	2.0
107.04957	1.4
107.08617	0.3
119.04939	0.4
121.06497	1.9
122.03648	0.6
123.04432	6.5
124.05228	2.0
131.06088	0.3
131.08519	0.4
133.06473	0.7
134.03604	0.6
137.05957	1.0
145.96643	0.3
149.05940	2.7
151.03886	1.6
152.04688	1.8
153.81511	0.3
156.08099	0.4
161.05966	0.8
165.09224	0.4
166.06363	0.5
167.07030	100.0
168.07399	1.1
181.08566	2.6
182.79335	0.3
183.09203	0.6
193.08617	1.5
205.62375	0.3
205.98756	0.6
211.09601	0.9
225.19490	0.3
228.23222	0.3
229.04941	0.5
229.09920	0.4
229.12340	0.3
229.15465	0.8
229.23560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
55.01874	6.2
55.05268	2.1
55.05513	26.6
56.96558	1.0
57.03439	39.2
57.07063	4.2
58.06579	1.2
59.04993	1.1
60.08188	1.1
61.02922	4.6
61.44427	0.8
65.03921	2.0
67.05504	8.4
69.03432	100.0
69.07064	11.4
69.07920	1.1
69.94151	2.5
70.06300	0.9
70.06597	11.0
71.01369	4.6
71.04996	27.6
72.08141	2.2
73.02921	13.8
74.76398	0.9
79.05489	7.8
81.03417	40.3
81.07050	7.1
83.01347	1.6
83.04984	15.6
85.02907	59.3
85.06544	33.0
85.07060	2.0
87.04457	3.2
91.05492	9.5
93.07048	12.7
95.04966	7.9
95.08600	5.1
97.02892	29.6
97.06538	7.7
99.03813	1.4
99.04458	23.5
105.07022	3.5
107.04986	2.5
107.08557	1.4
109.02882	9.7
109.06528	8.2
109.10144	1.6
111.04453	8.4
111.08096	2.5
114.05545	1.2
114.10249	1.8
115.03909	2.8
115.05457	1.3
117.07019	4.0
117.91852	1.0
119.08585	4.5
121.06508	6.7
123.04454	2.0
123.08033	4.3
125.05958	1.1
126.12791	3.8
127.03920	53.1
128.06310	1.0
129.05476	15.0
129.06989	1.0
133.06519	1.6
135.08067	4.1
137.05977	1.6
139.07484	2.4
142.08626	9.1
145.04951	11.1
145.96703	1.1
147.08022	3.4
151.07497	2.3
153.05342	1.2
156.03259	1.3
157.03673	1.5
163.07529	2.3
165.09106	2.5
187.04646	1.4
205.98756	2.0
211.09618	1.1
222.44142	1.1
229.10661	9.5
229.15460	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03946	4.8
55.01864	1.0
55.05498	2.3
57.03441	2.8
57.07071	0.5
59.04994	0.8
65.03946	1.1
65.67607	0.4
66.50768	0.4
67.05504	11.3
69.03429	21.7
69.07074	1.1
71.05009	0.8
77.03926	0.6
79.05491	3.6
80.66712	0.5
81.03407	0.9
81.07061	3.5
83.04974	3.7
83.08610	0.9
89.52637	0.4
91.05476	7.2
93.03386	1.4
93.07046	6.8
95.04971	2.6
95.08628	1.3
103.05472	0.5
105.04424	0.4
105.07017	6.2
107.04957	0.9
107.08585	1.6
109.02880	19.0
109.06506	1.1
109.10158	9.1
111.08058	0.4
115.05471	1.3
117.07028	2.9
119.04961	0.6
119.08576	9.5
121.06501	8.6
121.10152	2.3
123.11706	0.5
123.47633	0.5
127.98038	0.4
128.06165	2.3
129.07005	4.3
130.07771	1.6
131.08568	12.8
133.10136	9.8
135.08073	1.6
136.35883	0.4
139.16689	0.4
141.06984	2.0
142.07776	3.0
143.08559	10.0
144.09335	4.2
145.06479	3.9
145.10127	8.1
146.07274	0.7
147.08067	1.2
147.11687	1.2
153.07016	2.2
154.07751	0.7
155.08542	5.2
156.09261	0.7
156.10378	0.7
157.06538	0.9
157.10139	2.8
158.07260	1.7
158.09599	0.7
158.10907	13.9
159.08035	6.8
159.11700	9.9
160.08806	0.7
161.09610	1.4
165.12784	0.8
167.08627	0.9
168.09358	3.7
169.10100	2.0
170.10924	5.7
171.08044	6.4
171.11649	1.1
172.08832	8.5
173.06081	0.5
173.09625	32.6
173.11826	2.3
173.13237	39.3
174.10048	0.5
175.07556	1.8
175.11163	0.4
178.07813	1.2
181.06520	2.5
183.11708	8.3
184.13385	0.7
185.09595	2.2
185.13251	2.0
186.10388	22.4
187.07668	3.4
187.11174	56.5
188.11566	1.1
189.09164	0.7
193.10191	1.5
193.12096	0.5
195.08046	0.8
196.08847	5.4
199.07533	1.8
201.12735	52.3
202.13007	0.7
211.11191	10.9
211.13087	0.5
213.09077	0.5
214.09854	4.4
229.12241	100.0
229.14178	4.9
230.12617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03441	0.4
58.06603	5.2
59.07369	1.2
60.08166	7.2
68.05028	1.0
69.03432	0.4
69.42059	0.2
70.06593	30.5
70.08017	0.5
72.08177	0.6
76.86710	0.2
81.04547	0.8
85.06543	0.5
90.83252	0.2
93.86552	0.3
95.06106	1.3
96.08140	1.1
98.06078	0.6
114.05536	3.8
114.09177	1.4
116.07081	0.8
124.07592	3.4
126.09177	0.8
127.05038	0.9
142.08638	28.6
149.32687	0.2
170.08157	1.3
183.11299	1.1
191.76010	0.2
229.15471	100.0
230.15848	1.0
231.30084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
52.32843	0.2
55.01880	0.4
56.96565	1.3
57.03417	0.2
57.06889	0.2
58.06601	5.3
59.07381	0.8
60.08168	7.0
68.05034	1.0
70.06594	30.3
70.98443	0.2
72.08167	0.4
96.08118	1.2
98.06062	0.5
98.97591	2.2
114.05532	3.1
114.09164	1.6
116.07093	0.7
116.98645	1.3
124.07595	2.9
126.09167	0.5
134.99669	0.2
142.08640	30.9
145.18520	0.2
170.08141	1.6
201.06532	0.2
206.07027	0.5
224.08128	0.3
229.15477	100.0
230.06909	0.3
230.15788	0.8
248.08047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
56.55442	0.2
58.06341	0.4
58.06601	4.7
59.07370	1.1
60.07873	0.4
60.08163	7.5
64.67170	0.2
68.05014	1.1
70.06590	29.9
70.57030	0.5
72.08175	0.5
82.89113	0.2
83.00084	0.2
96.08133	1.3
96.08656	0.3
97.62238	0.2
98.06018	0.6
105.98860	0.2
114.05524	3.3
114.09160	1.5
116.07080	0.7
124.07610	2.9
126.09113	0.6
142.08633	30.5
143.08975	0.3
170.08116	1.6
229.15466	100.0
230.15729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46069	0.6
55.01862	1.0
55.05526	0.9
56.07475	0.5
56.96563	1.4
57.03440	0.8
58.99876	0.7
62.07171	0.6
67.05501	0.7
68.98293	2.0
69.03442	2.4
70.06588	5.2
70.35186	0.6
70.35538	1.3
71.04993	1.8
71.06936	1.2
72.08166	1.1
81.03427	1.7
82.99876	2.7
83.76611	0.6
84.08152	1.1
85.01409	5.5
85.02897	3.7
86.06052	0.8
86.99327	1.0
87.00840	0.7
88.04019	0.7
91.02465	1.0
93.07040	0.7
97.02891	1.7
98.97583	2.0
101.00880	22.0
103.02449	18.1
105.00389	1.1
111.04446	0.6
112.07621	1.3
113.00871	1.8
115.02420	0.6
115.08641	0.8
116.98620	1.1
117.03992	9.0
119.01922	64.5
121.03471	8.6
121.06483	1.8
125.05985	0.9
126.09142	1.1
127.02418	2.7
127.03912	0.9
127.18619	0.6
128.07100	1.4
129.00334	4.6
130.08713	0.8
131.01888	3.8
132.93274	0.6
133.03453	4.8
135.05052	6.9
136.69212	0.6
137.02960	13.6
139.07495	0.7
142.08617	1.3
143.00160	0.7
143.01926	1.3
143.08919	0.9
144.09213	0.7
145.03462	45.9
146.03592	0.7
147.01389	24.6
149.02898	0.6
149.05972	1.4
151.04503	1.1
161.02968	15.5
161.97696	0.6
163.04527	23.3
163.05917	1.2
165.02469	6.5
167.07056	0.7
168.04961	0.9
170.08197	0.7
171.01384	20.4
171.02869	1.2
171.11311	1.2
172.09665	2.9
173.03000	2.1
179.04013	3.8
181.75258	0.6
183.03522	1.6
186.11278	1.6
187.04605	2.6
187.10756	1.5
189.02443	100.0
190.02640	1.4
191.04047	1.4
195.06616	0.8
199.00870	1.0
203.04031	0.6
205.05634	1.6
207.03517	23.3
212.04059	2.4
214.11824	1.1
230.15793	4.8
231.03490	37.8
231.08595	1.1
231.14212	3.9
231.16431	1.0
232.03798	0.8
249.04529	13.6
249.06798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
57.03415	2.3
57.07073	11.1
59.04995	4.8
67.05495	2.4
68.68152	1.3
69.03425	14.9
70.35909	1.2
70.36242	2.9
71.05027	1.4
79.05468	2.2
81.03407	6.0
81.07037	1.9
84.63257	1.5
85.02899	7.3
87.00785	3.2
88.12790	1.3
89.01851	1.4
91.05485	8.3
93.07033	3.8
95.04948	1.3
95.08611	2.1
97.02892	4.1
99.04451	1.9
105.03384	2.0
105.07038	7.9
107.08583	2.6
109.02877	2.3
109.06532	1.5
115.05446	1.8
117.07005	9.4
119.08553	3.0
121.06545	1.9
127.03896	4.2
128.06224	11.7
129.07002	16.6
131.04971	2.4
131.08568	23.3
133.10155	2.1
135.08064	2.6
141.06990	14.8
142.07771	11.8
143.08556	29.2
144.05714	2.5
145.06482	5.2
145.10112	9.2
146.07240	3.2
147.08044	5.0
153.06992	3.6
154.07727	1.7
155.06067	1.6
155.08531	16.9
156.09323	17.8
156.46092	1.3
157.06453	9.3
157.10121	30.7
158.07251	3.0
159.08037	37.6
159.11679	4.0
160.08754	3.7
161.09621	8.6
165.06952	2.9
168.09361	8.7
169.07733	1.8
169.10110	17.6
170.10818	6.1
171.08041	32.1
171.11685	29.4
172.08800	9.3
173.09613	16.3
173.13326	7.7
174.06766	5.7
175.07545	32.3
180.09419	2.6
183.11720	9.1
185.09645	2.0
185.13243	14.3
186.10397	1.6
187.11150	2.3
189.09090	64.5
189.12666	2.2
195.11688	5.4
198.10414	4.5
201.12733	18.5
202.09795	2.3
203.10664	1.6
203.14301	15.4
213.12749	44.6
231.13786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
55.05523	0.9
57.03423	2.1
57.07076	7.3
59.04995	3.0
69.03429	2.1
69.37511	1.0
76.75372	0.8
79.05518	1.5
81.03405	1.4
81.07069	1.0
83.05000	1.1
85.02888	1.6
85.60905	0.9
91.05478	6.9
95.08604	1.7
97.02888	1.3
99.67344	0.9
105.03440	1.5
105.07030	4.6
110.87096	0.9
115.05464	2.5
117.07017	8.9
119.08570	2.8
121.06485	1.1
125.18094	0.8
127.03894	1.1
128.06232	9.5
129.06996	12.4
131.04956	1.0
131.08563	18.2
132.05759	1.9
133.06471	1.9
133.10085	1.2
135.08028	1.1
139.26450	0.9
141.06989	14.6
142.07770	10.2
143.08562	22.8
144.05695	2.4
145.06464	12.2
145.10081	5.8
146.07259	2.2
147.08023	4.7
149.09528	1.0
149.91859	0.9
153.06982	2.6
154.07758	1.6
155.08556	11.9
155.94423	0.9
156.09315	13.8
157.06499	11.1
157.10126	26.7
157.11404	1.9
158.07248	2.5
159.08060	36.0
159.11662	2.9
160.05240	1.2
160.08942	2.0
161.09581	7.5
165.07001	2.2
167.08565	2.1
168.09334	6.3
169.10114	12.6
170.10948	4.2
171.08052	24.9
171.11684	28.2
172.08839	8.1
173.09595	14.3
173.13254	6.4
174.06764	4.9
175.07542	53.3
176.07925	1.5
180.09302	3.0
183.11691	8.4
185.09605	2.5
185.13223	9.9
186.10390	1.2
189.09094	64.3
195.11690	3.9
198.10385	2.2
201.12732	20.7
202.09900	1.7
203.14290	14.6
213.10640	2.1
213.12726	38.1
231.06558	2.2
231.13789	100.0
231.17134	8.2
232.14142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03951	0.6
55.01876	0.3
55.05260	0.5
55.05514	10.2
56.96569	1.6
57.05811	0.7
57.45916	0.3
58.16964	0.3
68.05019	0.3
69.03435	3.0
69.07056	0.4
70.02883	0.2
70.06596	1.2
71.41535	0.3
72.08157	100.0
75.04484	0.4
81.03430	2.1
81.07034	0.2
85.02908	1.6
86.09711	4.8
87.00829	0.8
97.02877	1.5
98.97588	0.4
99.04475	0.7
105.07034	0.3
105.42524	0.3
109.02909	0.8
115.05447	0.2
116.98626	0.3
123.08103	0.3
124.11276	0.4
125.02359	0.3
127.03890	1.2
132.10211	4.1
141.05519	0.4
143.04916	0.3
145.04948	0.3
169.01620	0.3
170.11775	3.8
171.06587	0.5
178.52205	0.3
185.08104	0.4
185.16512	1.0
199.06175	0.3
203.07069	0.7
206.91093	0.2
213.07567	0.7
231.06616	0.8
231.11795	0.4
231.17041	4.0
245.04445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27323	0.2
57.03431	1.2
58.06599	0.4
60.08163	8.0
70.92963	0.2
71.04994	1.7
74.29863	0.1
81.59826	0.2
84.08128	0.3
85.02907	100.0
85.42310	0.2
86.03233	0.3
89.06048	0.2
107.96923	0.2
130.08296	0.2
144.10207	2.2
170.11731	0.4
173.08101	9.0
177.05458	0.2
205.04915	0.3
232.15437	27.0
233.04472	0.3
233.15785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
55.05511	0.3
56.96590	0.3
57.03438	1.3
57.24923	0.2
58.06609	0.3
60.08165	9.2
60.08471	0.5
70.06591	3.3
70.94397	0.4
71.04987	1.8
81.07060	0.6
84.08142	0.4
85.02905	100.0
86.03247	0.3
108.91589	0.2
116.07024	0.3
124.11234	2.9
144.10219	2.0
170.11765	24.6
173.08099	10.4
205.05145	0.4
214.14383	1.1
232.15436	31.8
233.04477	0.4
233.15820	0.3
235.96684	0.2
253.58839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1696
Annotation	Metazocine
Peak:m/z	Relative Intensity
56.05034	6.7
56.96559	0.4
57.07076	6.2
59.19871	0.4
60.30789	0.4
69.03426	0.5
70.03783	0.4
71.08627	4.4
74.06078	19.5
81.03442	0.5
82.03743	0.4
84.11316	0.4
88.07628	45.2
89.97723	0.4
91.05521	0.5
97.02863	0.4
102.05537	3.4
105.07038	0.8
116.07074	1.1
118.06555	1.1
120.06577	4.0
130.06577	0.6
131.07289	1.6
131.08557	0.6
132.08080	1.2
133.10190	0.4
145.08868	1.1
146.09634	3.4
147.10515	0.5
149.01173	0.4
160.11201	9.9
161.13193	0.5
174.09145	10.8
174.12775	2.1
176.14363	0.8
179.70338	0.5
186.18520	28.0
188.10722	4.6
188.14474	0.5
189.11482	1.9
189.15125	9.4
202.12242	4.7
214.18008	2.7
216.13853	0.5
232.16965	100.0
232.19119	65.6
233.17282	0.9
233.19408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48617	56.5
73.82845	41.6
79.40106	51.0
88.59711	38.2
95.46969	40.5
210.42577	41.0
233.04166	100.0
251.41425	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0445
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
50.01592	0.3
51.02373	0.3
53.03931	0.2
55.01874	0.7
58.33610	0.1
61.12488	0.1
63.02357	0.2
65.03934	0.5
66.04702	0.2
67.01855	0.3
67.05466	0.2
68.99780	0.8
69.03400	0.2
69.76380	0.4
70.06596	0.1
71.01343	0.7
74.67899	0.1
75.67777	0.1
77.03911	0.9
78.04710	6.7
79.01839	0.1
79.05486	0.9
81.03426	0.9
81.07056	0.4
82.04197	0.5
83.04951	0.1
88.03128	0.2
89.03915	3.4
90.05546	0.2
90.34676	0.1
91.05473	3.9
92.02609	0.6
93.03435	0.3
93.07045	0.7
94.04176	0.2
95.01295	0.2
95.04971	2.1
102.04655	0.3
103.05474	4.1
104.02624	0.1
105.03394	2.9
105.04484	0.9
105.07006	0.6
106.04174	6.7
107.04962	0.9
109.02882	0.6
109.06527	0.3
110.03653	0.4
111.04439	0.3
115.05413	0.3
116.02559	0.4
117.03378	3.6
117.06973	0.1
118.04136	0.3
119.04952	1.1
120.02077	0.8
120.05773	0.1
121.02842	1.1
121.06506	1.9
123.00764	0.1
123.04407	0.3
125.06014	0.2
129.03331	0.3
129.05460	0.4
131.04930	3.5
133.02838	0.8
133.06438	0.3
134.03633	12.5
135.04427	1.2
136.06161	0.2
137.02348	0.5
137.05939	0.2
138.03122	0.7
138.68678	0.1
141.77321	0.1
144.02065	0.7
145.02843	5.1
145.03897	0.2
146.03604	0.5
147.04416	1.6
148.01497	0.4
148.05185	0.3
149.02333	1.4
149.05980	6.4
151.03889	0.7
153.05508	0.2
155.07097	0.3
157.02791	0.4
159.04428	2.2
161.02330	1.6
161.05954	0.2
162.03114	42.1
163.03772	0.9
165.01836	5.0
165.05479	0.4
166.02582	0.3
172.01530	0.8
173.02341	8.2
173.08142	0.2
174.02983	0.2
175.03857	0.5
176.04688	3.1
177.01965	0.5
177.05466	22.9
178.05887	0.2
179.03400	0.9
181.04987	1.3
183.02902	0.3
187.03868	1.1
189.01833	0.7
190.02602	24.1
191.03204	0.6
192.04132	0.4
193.01251	0.3
195.06499	0.3
197.08070	0.2
200.01010	0.2
201.01865	1.7
202.02715	0.1
204.04192	0.9
205.04956	77.0
206.05360	0.9
208.03636	1.1
209.04309	0.2
215.03398	0.8
217.10648	0.4
218.02095	10.9
219.02580	0.3
223.89172	0.1
233.04433	100.0
234.04768	1.3
234.13457	0.4
236.03146	0.5
251.05589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.11856	0.3
55.01868	0.7
55.05503	0.9
67.05499	1.4
69.03429	3.3
69.07059	0.4
69.26353	1.9
79.05493	2.6
81.07046	1.2
83.04957	1.1
91.05478	3.9
93.07037	1.7
95.04942	1.1
95.08607	0.6
97.06544	2.0
99.04422	0.3
101.35165	0.3
105.07021	4.2
107.04966	0.6
107.08598	2.4
109.06499	1.1
109.10161	0.4
111.04421	2.0
111.83945	0.4
115.05451	1.2
117.07005	2.4
119.06138	0.4
119.08577	6.4
121.06504	2.1
121.10120	0.5
123.04438	1.0
123.08056	1.8
128.06194	1.3
129.06978	2.9
130.07787	1.1
131.04907	0.5
131.08536	4.0
133.06514	0.4
133.10135	1.1
135.08046	100.0
136.08406	0.7
137.05980	1.0
139.07518	0.7
141.06961	2.2
142.07750	0.4
143.08559	1.5
144.05719	1.0
144.09337	3.3
145.06483	2.1
145.10136	4.6
146.07260	0.5
147.08072	1.3
147.11749	0.6
149.05977	0.8
151.07521	2.9
153.06970	0.6
154.07762	1.7
155.07114	0.6
155.08534	1.7
156.09312	5.8
157.06458	2.1
157.10147	0.8
158.07265	4.9
159.08055	5.0
159.10347	0.7
159.11687	13.6
161.09602	2.9
163.07555	0.7
169.06337	0.4
169.10114	3.1
170.10936	0.7
171.08026	0.6
171.11664	2.3
172.07336	0.8
172.08820	14.0
173.08138	0.9
173.09601	20.6
173.13220	0.8
174.06790	0.4
174.10400	0.5
175.07545	1.0
175.11208	0.4
185.05972	0.4
187.11168	30.4
187.14787	1.3
189.12770	2.1
191.07002	0.4
191.10643	0.8
197.09627	1.2
200.08328	1.2
201.09079	1.3
205.12230	1.5
215.10666	19.7
215.14140	0.9
217.10690	1.3
233.08096	0.6
233.11728	19.1
233.15154	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	234.9174
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75140	2.4
72.08179	0.8
111.24762	0.9
132.21220	0.8
136.94025	100.0
168.37729	0.7
174.39148	0.9
235.05521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0602
Annotation	HOHPDA
Peak:m/z	Relative Intensity
51.26871	0.1
52.28646	0.1
53.03947	0.2
55.01871	3.0
55.05510	0.3
65.03919	0.1
67.05507	0.4
68.99788	0.8
69.03419	0.4
69.07069	0.2
71.01353	1.9
71.04979	0.2
77.03571	0.2
77.03952	0.6
79.05492	5.3
79.90150	0.1
81.03453	0.2
81.07039	0.7
83.01335	3.3
83.04993	0.2
83.08643	0.2
91.05476	3.0
92.62132	0.1
93.03457	0.1
93.07056	0.9
95.04957	1.2
95.08605	0.6
99.01834	0.1
103.05462	3.2
105.03399	0.8
105.04503	0.5
105.07028	16.6
106.06570	0.3
106.07309	0.2
107.04956	1.1
107.06873	0.3
107.08585	1.4
109.06528	0.7
109.10159	0.2
115.05453	5.5
117.07020	4.9
118.04132	0.2
119.04919	0.8
119.08591	0.9
121.02853	0.4
121.06499	3.4
121.10155	0.3
123.04408	0.4
123.08077	0.2
125.09563	0.2
126.35088	0.1
127.05428	0.2
129.07004	0.5
131.04929	1.2
131.08574	0.7
132.05281	0.3
133.02861	0.5
133.06488	21.5
133.10101	0.7
134.06827	0.3
135.04422	1.6
135.08054	3.4
137.02347	0.5
137.05972	2.7
137.09645	0.2
139.03920	0.2
143.04922	1.0
143.05898	0.2
143.08559	0.4
144.05708	1.0
145.06483	6.4
145.10043	0.3
146.03430	0.2
147.04402	1.2
147.11676	0.4
148.05206	1.0
149.05977	2.1
150.03143	0.2
151.03917	0.4
155.06017	0.6
156.07399	0.2
157.06479	0.3
157.10127	0.5
159.11685	0.3
160.05199	1.1
161.05972	52.4
162.06387	0.3
163.03896	2.8
163.07539	6.2
165.05470	1.3
171.04337	0.7
171.11749	0.2
173.05943	2.1
174.03069	0.2
174.06816	0.2
174.08420	0.4
175.03885	0.6
175.14818	0.2
176.04694	3.2
177.05486	0.2
179.03438	0.4
179.07031	3.8
179.10576	0.2
188.04730	0.4
189.05460	100.0
190.05975	2.2
191.07036	2.6
192.04166	1.0
193.04997	1.8
193.06656	0.3
194.05698	0.4
199.03879	0.2
199.14801	0.4
201.06703	0.2
206.05849	0.2
207.06519	4.4
207.08459	0.2
217.04953	46.7
217.15794	0.5
218.05267	0.6
218.11015	0.9
235.05998	18.7
235.09303	0.7
235.13274	0.5
235.16861	1.8
236.06384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	1'-Acetoxychavicol acetate
Peak:m/z	Relative Intensity
55.01878	2.3
56.49800	0.3
57.07052	0.4
63.28181	0.3
68.39426	0.3
72.93793	0.7
79.05463	0.6
88.61552	0.3
91.05479	3.7
93.07023	0.3
95.08568	0.4
98.23360	0.4
99.79475	0.3
101.05997	0.3
103.05466	0.5
105.03393	1.0
105.07027	6.8
113.96394	1.5
115.05454	6.5
117.07020	0.7
119.08663	0.5
131.97424	0.8
133.06487	17.0
143.04918	2.2
147.07994	0.7
159.04419	2.4
160.05138	0.4
161.05974	58.1
162.06392	0.7
175.07550	0.7
178.06242	1.0
179.07051	0.8
191.07053	0.6
193.08595	100.0
194.08951	1.0
211.93935	0.3
235.09644	24.5
235.13362	1.2
235.16905	0.8
236.09973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Pterosin N
Peak:m/z	Relative Intensity
55.05493	2.2
57.07069	2.3
59.04999	1.5
67.05489	2.6
69.03423	5.5
69.07046	2.6
72.93786	1.6
77.03949	1.4
79.05488	4.2
81.07054	6.5
83.04972	1.7
91.05492	7.9
93.03407	1.7
93.07028	2.7
95.08610	2.0
99.04434	1.3
105.07040	6.6
107.08576	1.3
109.06519	1.4
113.96402	6.3
115.05465	2.0
116.69292	1.2
117.07007	3.8
119.08569	4.7
121.06512	11.6
123.04398	1.4
123.08041	4.2
124.05177	1.1
128.06226	4.5
129.06993	26.0
131.08546	5.0
131.97450	2.9
133.06482	7.3
133.10115	1.8
135.08044	2.8
136.05190	3.2
136.36275	1.2
137.05988	4.5
139.07518	7.8
141.06961	4.9
142.07779	23.1
143.08533	1.7
145.06494	6.7
146.07184	1.3
147.04401	3.1
147.08006	6.5
147.11719	1.1
151.07532	100.0
153.05453	2.5
157.06456	3.8
157.10115	40.1
158.07303	2.8
159.08060	3.9
159.11639	4.4
160.05190	2.8
160.08876	4.5
161.05974	15.8
161.09599	3.4
163.07494	2.4
165.05411	3.6
165.06752	1.3
165.09119	2.4
167.07054	14.3
167.08398	2.2
171.08023	1.6
173.05983	8.9
173.09621	2.8
174.06767	11.0
174.10413	2.9
175.07556	13.0
175.11205	11.3
175.66905	1.2
179.07039	5.1
185.09622	12.9
186.10335	1.8
187.07471	8.1
188.08302	20.4
189.09109	9.3
189.12724	31.2
189.14305	2.2
193.08580	17.2
193.12216	1.2
202.09888	12.4
203.10649	32.6
204.11473	1.2
207.09972	2.6
207.13812	5.7
217.12221	44.8
218.11148	1.6
220.10934	1.4
235.09882	5.3
235.13264	96.2
235.17081	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	235.1692
Annotation	Parvinolide
Peak:m/z	Relative Intensity
50.41302	1.1
55.05506	3.9
56.36547	1.0
57.07064	5.1
59.04982	2.3
67.05506	2.6
69.07065	2.1
69.27040	1.0
71.04984	17.4
73.06599	1.3
79.05489	1.7
81.07043	4.8
82.68289	1.3
83.04988	3.5
89.06021	10.2
91.05482	4.3
93.07016	2.2
94.44083	1.2
97.06493	1.1
98.23503	2.3
101.06027	1.4
105.07027	20.9
107.08591	10.0
109.06524	4.6
109.10133	1.7
113.96405	2.2
114.28924	1.1
119.08582	16.8
121.10165	1.7
123.04415	1.4
123.11665	1.2
125.09620	26.0
131.08595	3.4
145.10132	13.4
147.08055	5.4
147.11684	100.0
148.12025	2.0
157.10126	3.3
159.11682	7.9
161.09602	2.4
163.11177	2.6
164.08771	1.2
165.12796	7.4
175.11157	5.5
175.14932	1.3
176.28209	1.2
179.07076	2.9
179.10594	2.4
189.16434	2.0
193.08560	1.8
196.49719	1.1
199.14842	1.4
208.97809	1.1
217.15863	24.2
217.18002	1.2
217.60063	1.1
218.11012	4.3
235.13313	6.6
235.16881	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	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03684	1.5
53.03928	2.6
54.41327	1.4
55.05505	14.5
56.67158	1.3
57.07060	4.8
59.04983	1.8
63.17873	1.4
65.03947	1.9
67.05502	24.5
69.03444	1.6
69.07069	8.1
69.23530	2.0
69.23932	5.7
71.04984	2.8
77.03905	1.8
77.31399	1.6
79.05493	14.8
79.49348	1.4
81.07054	87.2
81.36250	1.3
83.04988	1.7
83.08607	5.6
91.05476	15.9
93.07043	26.6
94.07783	1.4
95.04960	4.8
95.08601	61.8
97.06517	4.2
97.10186	1.4
99.04433	2.9
101.06002	2.3
105.07026	45.2
107.04930	2.1
107.08588	78.3
108.09392	1.5
109.06513	5.0
109.10158	28.4
111.08063	2.6
112.04701	1.5
113.05990	3.7
113.96387	2.3
117.07001	2.4
119.06076	2.0
119.08573	59.7
119.09435	3.2
121.06478	2.2
121.10140	26.4
123.08047	4.5
123.11701	45.2
131.08548	3.6
133.06424	1.5
133.10123	38.1
135.08047	4.0
135.11682	37.8
136.12437	3.9
137.09651	1.7
139.07524	3.4
139.11188	1.7
143.08551	1.9
145.10098	3.4
147.08049	3.0
147.11674	22.0
149.13263	4.0
151.07509	1.4
153.09103	7.6
156.07330	2.5
157.10069	3.6
159.11707	11.8
161.09656	6.4
161.13248	71.8
165.09108	1.4
174.08452	2.8
175.11157	4.0
175.14827	2.8
179.10674	5.5
189.12730	3.7
189.16377	100.0
199.14845	5.4
207.10356	1.6
217.15862	34.7
218.11029	4.6
235.09273	1.6
235.16917	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1119
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.74501	1.9
54.34845	2.1
55.05522	2.2
57.01134	1.8
57.03428	2.4
58.31653	2.1
62.72398	2.0
67.05493	4.2
69.03448	2.1
69.07054	5.1
69.34638	10.3
71.04991	5.4
79.05481	3.4
81.07049	14.7
85.02903	15.1
91.05494	6.2
93.07030	11.1
95.04974	3.2
95.08611	6.8
103.59593	2.0
105.03484	2.0
105.07033	7.6
107.08608	10.2
109.06555	2.5
109.10143	7.8
115.05440	4.0
117.06982	2.1
119.08578	6.5
121.06519	2.9
121.10165	7.9
123.11702	3.3
125.05949	4.0
128.06227	4.9
129.06989	13.6
129.47035	2.3
131.04865	3.1
131.08600	16.3
133.10118	8.7
135.08047	3.0
141.06987	12.9
145.06497	2.6
145.10095	7.6
147.11700	5.2
151.11192	11.8
153.05455	6.7
157.06479	12.7
158.07271	8.5
159.08084	13.6
159.11702	7.0
161.09657	3.1
161.13243	5.2
163.07506	3.4
169.06497	6.9
173.06021	3.1
174.06752	27.6
175.07614	4.7
177.05478	11.0
186.06712	6.2
188.08249	2.1
189.09093	42.7
191.07085	5.6
191.10645	3.1
201.09119	19.0
201.16385	8.1
207.10033	2.1
219.10165	100.0
219.17474	6.8
220.10544	3.3
237.07376	2.4
237.11005	2.9
237.18492	10.4
237.46722	2.8
239.06238	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	237.1483
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.05505	1.7
56.14186	1.3
56.14766	1.0
58.47338	1.0
64.85567	0.9
69.07041	1.2
70.00847	1.0
71.08630	6.8
71.45928	1.0
77.50958	0.9
79.05479	3.0
81.07062	2.3
91.05482	10.9
93.07027	6.1
95.04996	1.3
95.08580	2.4
99.85029	0.9
103.05412	1.4
105.07014	5.0
107.04945	11.3
107.08593	2.1
109.06497	4.2
109.10169	1.3
119.08555	1.1
121.06498	26.9
123.04430	1.2
123.08025	1.3
127.36453	1.0
134.01295	1.0
134.03627	8.6
135.04411	10.1
135.08054	3.7
135.55547	0.8
137.05980	10.0
149.02354	2.8
149.05965	63.1
151.07584	1.8
152.04636	1.3
154.93253	1.3
163.07564	6.8
167.07021	31.5
177.09071	4.1
177.12744	3.8
190.95509	1.2
193.04935	1.5
201.16261	1.3
205.12216	3.6
207.13776	3.6
219.13765	24.4
229.14401	1.0
237.14830	100.0
238.15047	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol
Peak:m/z	Relative Intensity
50.57699	0.5
54.15356	0.5
55.05507	2.8
57.03435	30.8
57.07070	0.7
59.04984	1.0
67.05506	5.8
69.03429	0.6
69.07064	3.1
71.01342	0.6
71.04988	2.5
79.05485	4.4
81.07059	8.1
83.01337	9.0
83.04974	1.0
83.08611	1.4
85.06549	0.7
85.40119	0.5
91.05480	6.2
93.07046	8.4
95.04917	0.7
95.08601	25.2
97.02896	0.5
97.06518	1.9
99.04446	0.5
99.08092	1.0
105.07011	5.3
107.04938	1.6
107.08578	7.9
109.06544	3.0
109.10167	5.2
111.04449	0.8
111.08079	1.2
113.09641	22.3
115.05448	1.3
117.07011	6.4
119.08557	4.0
121.06506	4.8
121.10136	5.3
123.04453	0.9
123.08048	1.0
123.11699	1.0
125.05984	2.0
125.09576	0.9
127.11121	0.8
129.06984	0.8
131.08531	3.5
133.06497	1.9
133.10097	2.9
135.08054	10.4
135.11665	4.9
137.05972	66.7
137.09578	1.1
138.06271	0.7
139.07516	1.0
143.08543	0.8
145.06474	5.5
145.10120	5.5
147.08026	0.5
147.11702	2.3
148.05240	3.1
149.02336	0.6
149.05991	1.9
149.09595	3.0
149.13266	2.4
151.07545	5.9
151.11107	1.7
159.08086	0.6
159.11682	3.5
161.05972	1.2
161.09647	0.6
161.13281	3.0
162.06746	0.9
163.07536	100.0
163.11183	1.9
164.07870	0.7
165.05428	0.6
165.09122	2.5
167.07065	0.6
173.13263	1.5
175.07455	0.6
175.14847	0.7
176.08408	0.6
177.05595	0.6
177.09108	17.2
177.12740	1.5
181.12160	0.5
189.16280	0.5
191.10703	1.1
191.14301	1.3
191.17915	4.0
193.08586	1.0
201.16365	6.2
219.13799	34.7
219.17168	6.7
228.38075	0.5
237.11031	1.4
237.14847	47.8
237.18370	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	237.1484
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol
Peak:m/z	Relative Intensity
52.31665	0.5
55.01867	1.1
55.05503	2.0
55.77652	0.5
57.03435	32.4
57.07051	0.6
59.04991	0.9
62.09693	0.6
67.05506	7.3
67.74690	0.6
68.12273	0.6
69.03431	1.4
69.07069	2.6
71.04972	2.9
79.05479	4.8
81.07054	8.9
83.01340	9.6
83.08611	1.1
83.61729	0.5
89.44038	0.6
91.05474	5.5
93.07036	7.4
94.09010	0.5
95.04970	1.2
95.08603	25.1
97.02885	1.0
97.06527	0.9
99.04426	0.6
99.08110	1.2
105.07018	5.7
107.04933	1.7
107.08582	7.6
109.06517	2.8
109.10139	3.8
111.08083	1.5
113.09637	20.9
115.05477	1.4
117.07010	7.0
119.08594	4.5
121.06492	5.1
121.10143	5.4
123.04379	1.0
123.08052	0.7
123.11692	1.5
125.05991	2.5
126.82945	0.5
127.11221	0.8
131.08559	3.6
133.06487	2.3
133.10088	3.2
135.08043	11.2
135.11670	4.8
137.05969	70.7
137.09589	1.3
145.06490	4.6
145.10139	4.8
147.08041	0.7
147.11694	1.7
147.40550	0.6
148.05193	2.5
149.02275	0.6
149.05997	2.9
149.09645	1.7
149.13284	3.0
151.07509	5.6
151.11163	1.9
159.08052	1.3
159.11731	4.0
161.05975	1.2
161.13268	3.6
162.06755	0.7
163.07535	100.0
164.08002	0.9
165.09131	1.7
173.09489	0.6
173.13173	1.5
175.07571	1.2
175.14848	0.9
177.05519	0.6
177.09108	17.7
177.12729	2.0
179.38857	0.7
189.16246	0.7
191.10629	1.4
191.14297	1.2
191.17892	3.4
201.16379	6.5
219.10239	1.2
219.13803	31.7
219.17169	6.2
237.11041	2.2
237.14832	46.7
237.18367	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	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03947	1.8
54.77569	0.7
54.82735	0.6
55.01863	2.6
55.05259	0.9
55.05513	14.6
57.03431	1.7
57.07085	1.5
59.04994	2.5
62.98618	0.6
67.05503	11.3
67.87917	0.7
69.03425	8.2
69.06716	0.7
69.07069	10.3
69.44144	2.1
69.44535	1.5
71.05000	5.1
73.48731	0.6
79.05494	8.1
81.03415	1.4
81.06622	1.2
81.07058	13.5
83.04980	9.8
83.08617	2.0
85.02892	0.8
85.06539	7.3
91.05474	12.2
93.07044	27.4
95.04966	13.9
95.08605	15.4
97.02915	1.2
97.06521	9.2
99.04454	2.0
99.08118	0.9
103.05466	1.3
105.07030	21.1
106.97978	0.8
107.04944	1.9
107.08593	25.7
109.06521	13.9
109.10170	11.0
111.04453	0.9
111.08065	4.6
113.09643	20.6
115.05447	1.7
117.07030	3.9
118.97406	0.7
119.08582	24.2
121.06512	21.2
121.10143	17.4
123.08070	8.7
123.11690	3.4
125.05981	2.0
125.09605	1.5
127.11108	0.8
128.06197	1.5
129.07025	2.7
131.04959	1.2
131.08574	9.5
133.06566	0.8
133.10129	21.8
135.08049	18.2
135.11710	7.6
137.05972	6.1
137.09613	8.1
139.03909	1.6
139.07547	0.9
143.08528	3.5
144.09312	1.6
145.06494	2.0
145.10107	5.3
146.07225	1.3
147.08061	2.2
147.11690	12.8
149.05933	1.5
149.08461	1.5
149.09615	19.2
149.13266	5.6
151.07562	3.3
151.11179	7.3
153.05435	4.3
153.09119	14.0
157.06511	2.1
157.10123	0.9
158.10950	1.4
159.04480	1.1
159.08046	4.3
159.11682	10.2
161.09616	25.2
161.13248	5.6
163.07550	7.1
163.11186	1.7
165.09114	2.3
165.12744	2.2
171.11630	0.8
172.08804	1.4
173.09618	2.2
173.13264	6.9
175.11221	0.8
177.05518	1.5
177.09128	4.3
177.12756	12.8
179.10670	12.0
180.11417	1.1
181.12180	1.2
186.10355	1.8
189.12814	3.5
191.10611	1.0
191.14299	4.2
195.13814	3.1
201.05466	1.2
201.12669	4.1
201.16379	3.1
207.13773	8.9
209.08118	2.3
209.15366	3.3
219.06541	0.7
219.10197	2.6
219.13828	9.5
219.17422	2.5
237.14853	100.0
237.18253	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.00520	2.0
55.05499	7.7
57.01986	2.1
57.07069	5.2
59.05006	2.7
60.90243	2.6
62.03342	2.4
67.05499	18.5
69.03408	3.4
69.07059	14.5
69.35270	10.2
71.04985	9.0
73.78563	2.4
78.52576	2.2
79.05490	15.9
81.07049	43.8
83.04995	5.0
83.08619	6.3
85.06552	9.9
91.05470	18.3
93.07044	31.3
95.08600	52.1
97.06526	7.6
97.10146	4.2
98.09698	6.6
99.08090	6.5
105.07014	28.4
107.08578	39.4
109.06519	6.1
109.10150	33.4
111.08052	6.8
113.09626	2.5
117.07005	8.5
119.08576	27.2
121.06544	3.3
121.10130	30.5
123.08064	3.1
123.11702	6.4
125.09638	5.1
127.07533	2.8
127.11190	3.2
130.07738	3.1
131.08553	16.7
133.10117	15.6
135.08022	4.3
135.11671	27.4
137.09578	4.0
139.07552	3.8
145.10100	44.2
147.08041	3.6
147.11682	16.6
149.09587	5.9
149.13249	14.3
151.11201	8.5
156.13808	12.2
158.10800	2.9
159.11708	26.5
161.13240	16.6
161.54436	2.4
163.07538	3.1
163.11188	8.7
165.09096	7.6
167.07077	3.0
173.13258	9.9
175.07547	8.7
175.14798	9.0
177.16435	2.5
181.12271	2.6
189.16383	7.3
191.10667	6.4
191.17972	12.2
193.08543	13.5
201.14490	3.0
201.16365	62.8
219.10286	2.5
219.13863	6.9
219.17421	62.9
219.19455	4.5
220.17677	2.5
237.11160	5.6
237.15025	12.9
237.18494	100.0
238.11946	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	237.1849
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
53.03948	1.1
55.05513	3.7
67.05502	9.1
69.07060	5.1
69.58034	3.0
71.04986	3.0
79.05494	10.5
81.07057	23.7
82.00169	1.1
83.05009	1.1
83.08632	2.0
89.05435	0.9
91.05476	9.0
93.07046	37.1
95.04982	1.9
95.08604	23.2
97.06538	2.1
98.23376	2.2
105.07027	40.4
107.08594	29.1
109.10135	10.5
111.04456	4.8
111.08079	4.9
117.06995	6.7
119.08582	20.5
121.10133	13.3
129.07004	1.8
131.08565	30.3
133.10141	12.7
135.11725	8.8
139.03894	14.5
144.09331	1.8
145.10126	45.4
147.11679	5.8
149.09544	1.6
149.13261	4.0
159.08078	1.1
159.11699	21.9
161.13254	7.9
163.11197	3.8
173.13277	14.3
175.14807	3.4
177.12701	1.6
187.07616	1.3
189.16380	6.1
191.17955	2.8
201.16379	100.0
202.16718	1.3
219.10225	7.8
219.17441	73.2
220.17709	1.9
237.11108	3.5
237.18503	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03917	1.5
55.05506	5.0
57.03432	2.3
59.04989	3.2
65.03933	1.6
67.05509	12.3
67.95654	1.5
69.07075	7.8
69.11717	6.1
69.12134	5.1
71.04983	4.0
77.03926	1.5
79.05495	14.6
81.07052	37.1
83.04962	1.7
83.08611	3.2
85.06527	2.6
88.71395	1.5
90.00699	1.4
91.05488	13.9
93.07035	31.4
95.04958	3.8
95.08604	48.8
97.06518	5.5
97.10180	2.1
98.23445	3.7
105.07026	34.6
105.87895	1.5
107.04977	1.6
107.08591	43.2
107.70522	1.5
109.06524	4.1
109.07792	1.4
109.10151	22.3
111.06853	1.4
111.08070	3.4
117.07002	8.2
119.03191	1.8
119.08582	27.6
121.10146	24.7
123.08107	2.8
123.11701	4.3
125.09605	1.5
131.08585	22.5
131.53717	1.4
133.10136	23.1
135.08066	1.9
135.11679	29.5
137.05936	4.1
137.09694	2.5
139.13733	1.5
145.10115	57.4
145.42130	1.5
147.11693	17.7
149.05968	3.8
149.13246	14.1
151.11176	3.9
153.05464	3.9
157.10066	1.8
159.11688	38.9
161.13257	20.8
163.07452	2.5
163.11195	3.5
173.13232	10.3
175.14821	3.7
177.05457	3.9
177.12767	2.2
189.16344	7.4
191.17966	13.6
201.16380	100.0
207.17488	3.5
209.08054	7.6
219.10199	2.8
219.17435	60.5
237.07555	3.4
237.18480	95.7
240.93246	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.05499	11.7
57.07083	4.5
64.47791	2.7
67.05499	9.5
69.07070	19.3
70.29700	7.2
71.04985	10.7
79.05508	6.8
81.07053	20.8
83.04984	5.1
83.08619	10.7
91.05477	16.3
93.07047	37.5
95.04956	5.5
95.08598	32.0
97.06541	10.6
98.23360	5.2
105.07027	41.4
107.08591	40.1
109.06519	4.2
109.10143	16.1
111.08072	10.6
117.06998	3.9
119.08578	50.4
121.10151	40.9
123.11716	8.3
125.09622	4.8
131.08572	9.0
133.10132	36.2
135.11691	12.9
145.10135	35.7
147.11737	5.9
149.13249	8.8
159.11705	34.6
161.13258	100.0
163.11172	8.8
172.94231	4.5
173.13255	14.1
175.14857	7.5
177.12666	3.5
177.16356	3.5
177.94060	2.8
179.14354	18.0
190.37126	3.4
196.91708	4.3
201.16377	82.0
208.94385	3.1
211.74916	3.2
213.96877	4.3
219.17422	36.5
231.98019	3.2
236.08871	3.2
237.14882	7.1
237.18529	22.0
258.94754	3.4
259.80310	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.05497	1.3
57.07088	0.6
59.04996	0.4
59.70454	0.3
61.02926	1.9
67.05502	16.7
69.04536	0.7
69.07066	8.7
70.05693	0.9
71.04990	4.4
79.05495	1.3
81.07054	6.7
83.04977	0.5
83.08632	0.5
85.06528	1.0
91.05499	0.7
93.07051	3.1
95.08614	3.2
97.06506	0.7
98.22853	0.4
99.04438	0.4
102.89642	0.3
105.07027	1.5
107.08597	3.4
109.06513	0.9
109.10150	100.0
110.10500	0.8
111.04408	0.4
111.08075	4.1
113.09632	1.0
119.08540	2.3
121.10126	2.9
127.11185	15.2
131.08627	0.4
133.10094	0.6
135.11674	1.5
145.10165	0.9
149.13228	0.4
151.11172	0.6
153.12740	1.3
153.28514	0.3
159.11722	1.7
161.13287	3.1
161.40996	0.3
163.11250	0.4
173.13249	0.9
175.14816	1.0
177.12848	0.5
177.16365	6.1
179.14307	1.3
191.14328	0.4
201.16360	2.1
209.11723	0.7
219.17439	2.9
237.18541	1.3
237.23280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
56.96573	6.2
57.07079	8.6
67.05521	9.5
68.05302	4.0
69.07076	7.7
69.75723	7.4
71.04634	7.5
71.04998	100.0
73.22873	4.4
79.05513	4.2
81.07050	12.8
83.04967	7.0
83.08586	4.4
89.06046	27.1
93.07040	21.8
95.08604	4.2
96.31619	4.3
97.06524	4.8
97.99184	5.0
105.07024	14.1
107.08616	11.6
109.10166	11.0
111.04458	11.5
119.08591	12.8
121.10162	16.3
127.11189	25.3
131.08559	10.7
133.10126	4.7
145.10107	19.9
147.11690	39.0
149.09656	19.0
149.13268	59.9
153.05534	6.5
158.26367	4.5
159.11626	4.0
177.09108	24.1
179.14354	6.2
181.12225	3.9
185.05920	4.0
201.16382	8.0
204.94624	3.6
205.08540	10.8
209.11739	27.1
213.96922	5.7
217.83627	3.9
219.17426	55.7
222.47003	4.2
237.11150	6.9
237.14902	6.3
237.18561	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0913
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
53.56430	0.4
55.01872	3.1
57.03433	0.8
57.07066	0.4
65.03951	0.5
68.99789	0.5
69.70559	1.6
79.05492	0.5
81.07050	0.7
89.06038	5.3
91.05476	3.0
92.87804	0.4
95.04951	0.7
98.23444	0.8
99.04472	0.6
105.07026	1.8
115.05451	1.3
119.04942	9.5
121.06484	0.5
125.05952	2.1
133.06483	6.7
133.08617	2.3
134.03610	1.3
137.05969	1.4
140.04639	1.2
147.04402	32.3
151.07561	2.5
153.05463	2.6
160.05170	0.5
161.05974	5.2
162.03117	1.6
175.07542	1.8
177.05464	100.0
178.05818	1.1
179.07028	11.2
187.21196	0.4
189.05466	0.8
193.08578	3.2
203.07030	1.3
217.05399	0.5
221.08081	13.8
239.08899	25.8
259.44315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0914
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
50.07401	0.3
55.01857	0.9
55.05498	0.7
57.03421	1.6
57.39159	0.4
58.34505	0.4
67.05501	0.6
69.07059	0.7
69.70322	1.1
71.04972	0.4
73.20071	0.3
79.05491	1.2
81.03387	0.4
81.07047	1.2
83.04977	0.4
85.06567	0.5
89.06021	2.8
89.33306	0.4
91.05473	1.8
93.07033	0.9
95.08611	1.2
97.06562	0.4
98.23415	0.5
99.04435	0.6
103.05489	0.6
103.71402	0.3
105.07028	1.0
106.04146	1.2
107.08577	0.8
109.06470	0.4
109.10167	0.6
115.05453	6.1
117.07007	1.5
117.95306	0.4
118.04140	0.5
119.04904	0.7
119.08575	1.0
119.10912	0.3
121.02830	0.5
121.06494	1.4
123.04414	1.0
125.02368	0.5
125.05994	3.5
125.09599	0.5
133.06483	10.7
133.08583	1.3
134.03647	1.0
135.08075	0.4
137.05965	1.8
139.03828	0.5
140.04700	2.1
143.04880	0.5
145.06427	0.5
146.03513	0.3
147.04402	1.2
147.08041	5.9
147.11629	0.5
148.38779	0.4
149.05969	1.5
151.03822	0.5
151.07507	1.3
153.05475	3.2
160.05133	1.1
161.05968	22.7
162.03107	0.6
165.09274	0.3
175.07562	4.4
177.05457	100.0
177.36749	0.3
178.05818	1.6
179.07022	13.3
193.08601	3.0
195.06526	0.6
203.06998	0.9
221.08070	21.7
222.08463	0.6
239.08932	11.8
239.16307	0.5
239.18318	0.6
240.19487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0915
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
54.23031	0.5
55.01872	5.0
57.03445	1.1
60.19983	0.6
67.05498	1.1
67.35480	0.7
69.75806	1.9
79.01479	0.6
79.05495	1.4
81.07047	1.6
85.06529	0.7
89.06034	1.7
91.05487	4.7
91.40605	0.5
93.07018	1.1
95.04957	0.7
95.08599	1.2
95.58123	0.5
105.07032	2.7
107.04948	1.0
107.08584	1.0
109.06521	2.0
109.10143	0.7
115.05448	1.7
119.04940	15.1
121.06491	0.8
121.10146	0.7
123.04408	0.5
125.05968	2.7
133.06503	6.5
133.08624	1.0
133.10091	0.8
134.03629	1.5
135.11644	0.6
137.05940	1.0
137.09615	0.6
140.04559	0.9
147.04407	34.4
147.08066	0.6
151.07559	1.2
153.05434	3.3
161.05978	4.3
162.03146	1.8
165.05415	0.6
175.07640	0.5
175.33417	0.5
177.05470	100.0
178.05838	1.7
179.07031	11.2
193.08595	1.2
197.08061	1.5
199.30656	0.5
203.07062	1.1
221.08078	12.1
239.08914	20.4
239.16528	2.8
257.62128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0915
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
53.03938	0.4
55.01870	1.1
55.05500	0.6
57.03433	1.5
57.76830	0.3
63.24643	0.4
65.03911	0.5
65.27120	0.4
67.05511	1.0
69.07060	0.7
69.41846	0.7
69.42246	1.3
71.04984	0.8
76.93130	0.4
79.05494	1.2
81.03405	0.6
81.07055	1.2
83.04944	0.4
83.08654	0.6
85.06506	0.4
89.06046	2.1
91.05471	2.5
93.03423	0.5
93.07034	0.5
95.04971	1.1
95.08606	1.0
99.04455	0.7
103.05455	0.5
105.07026	1.4
106.04159	1.2
107.04977	0.4
107.08562	0.7
109.06545	0.4
111.04462	0.5
111.08026	0.5
115.05460	7.0
117.07025	1.7
118.04173	0.7
119.04906	0.9
119.08584	1.1
121.06530	2.3
121.10123	0.7
123.04422	3.8
125.02351	0.6
125.05982	4.2
131.04968	0.5
133.06494	15.0
133.08604	0.8
133.10141	0.6
134.03624	0.8
137.02341	0.8
137.05983	4.2
139.03905	1.3
139.07535	0.4
140.04733	2.1
141.04352	1.0
143.04939	0.9
147.04390	0.9
147.08041	5.2
149.02351	2.5
149.05988	1.6
150.02702	4.5
151.07523	3.9
151.37865	0.3
153.05478	4.1
160.05211	1.0
161.05977	23.1
161.13377	0.4
162.03169	0.6
163.07539	0.5
165.05501	0.8
165.09119	1.0
175.07565	4.3
177.05467	100.0
178.05870	1.3
179.07031	16.8
180.07529	0.4
193.08614	2.6
194.05270	0.6
197.08052	0.6
203.07013	1.3
203.10640	2.1
221.08092	22.0
221.11693	1.5
221.15331	0.5
223.09657	0.4
239.08911	28.4
240.09311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0915
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
53.31424	0.4
55.01859	1.6
57.03421	1.3
59.01714	0.3
67.05504	0.4
69.03419	0.5
69.07031	0.3
69.70822	0.9
71.04984	0.5
71.69457	0.4
79.05471	1.1
81.07020	0.8
83.00862	0.5
83.01319	1.6
89.06010	1.4
91.05457	1.4
93.03389	0.6
93.07029	0.8
95.04967	0.5
95.08637	0.4
95.15284	0.4
98.23454	0.8
99.04456	0.5
103.05460	0.4
105.07027	3.3
115.05473	0.5
117.07017	0.5
119.08577	0.8
121.06454	1.0
123.04401	0.9
125.05987	2.7
128.06133	0.6
129.06995	5.9
133.06476	6.9
133.08586	0.4
137.05968	3.7
140.04683	1.6
140.70049	0.4
147.04352	0.8
147.08041	5.2
151.07564	0.9
152.09486	0.3
153.05457	6.2
157.06409	0.8
159.08084	1.1
160.05165	0.6
161.05969	33.3
162.06171	0.4
163.03854	0.8
165.05513	0.6
175.07549	6.1
177.05458	100.0
178.05785	1.2
179.07014	22.0
193.08582	4.1
203.06946	1.7
207.06543	0.7
221.08069	20.4
239.08904	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	239.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01874	3.5
57.03437	8.1
59.05009	3.7
59.41962	0.5
61.02926	11.2
69.03068	1.0
69.03429	16.5
70.37851	1.4
70.78365	0.6
71.01355	1.4
71.04999	2.8
73.02917	4.1
79.48273	0.6
81.03416	6.4
84.08170	0.6
85.02906	100.0
87.04497	3.4
89.02400	0.9
91.03966	4.8
97.02894	21.7
97.07648	1.2
99.04456	3.8
101.02378	2.5
103.03967	1.0
109.02878	7.7
115.03930	4.5
127.03915	19.1
129.01784	1.4
136.06270	0.6
143.03406	1.3
145.04956	26.3
155.06693	1.0
157.01366	3.7
160.32088	0.6
163.06024	4.3
171.02925	0.7
173.07741	0.8
189.03917	4.3
197.07654	5.1
203.05533	1.9
215.08763	5.4
225.29903	0.6
239.08780	0.7
240.10982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1278
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
55.01873	0.5
55.05268	0.8
55.05509	10.2
57.03421	0.6
59.04996	2.4
59.13599	0.4
59.63039	0.4
61.48446	0.4
66.73171	0.5
67.05504	3.0
69.07043	1.5
71.04961	0.6
71.44315	0.5
73.60807	0.4
74.60742	0.4
79.05476	0.9
81.07055	4.0
81.72017	0.4
83.04971	3.3
83.08624	0.8
89.06010	1.0
91.05469	3.3
91.95167	0.4
93.07048	2.4
94.68247	0.5
95.08599	4.4
95.94286	0.5
101.05985	1.4
105.07022	4.6
107.04937	1.6
107.08566	2.4
108.05733	0.5
109.06519	1.0
109.10159	6.7
111.07989	0.6
111.70387	0.4
115.05379	0.8
117.07007	8.1
119.08572	3.6
121.06493	8.7
121.10105	2.1
121.44876	0.4
123.08035	1.4
123.11680	1.1
124.05173	0.5
128.06165	0.4
131.08549	0.9
133.10141	2.8
135.08075	1.0
135.11699	0.9
136.05148	0.5
137.05963	3.1
137.09612	2.9
139.07529	3.6
143.08534	0.8
145.06482	12.7
146.07280	2.5
147.04428	0.6
147.08015	2.6
147.11661	2.1
149.07080	0.8
149.09602	5.8
149.13252	0.5
151.07530	34.1
159.08057	0.7
161.06009	0.8
161.09610	10.2
161.13248	0.8
162.06741	5.6
163.14786	0.7
164.99988	0.4
165.09097	4.4
175.07564	1.9
175.11227	0.6
177.09096	100.0
178.09575	1.6
188.08348	1.1
193.12230	15.6
203.10640	5.7
203.17967	3.5
221.11713	88.7
221.18982	1.6
222.12094	1.0
239.08907	26.8
239.12663	13.3
239.16246	0.8
239.19957	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	239.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03495	8.2
69.27567	49.6
87.50017	8.1
89.06022	59.2
95.05009	9.7
123.04401	31.2
133.08595	26.0
133.32307	8.6
141.05473	25.0
147.04404	15.7
154.02592	10.3
160.05261	12.6
169.04962	100.0
175.77837	8.7
179.07053	10.6
183.06523	9.3
189.09166	32.2
208.74857	9.0
215.40831	8.7
239.08896	80.9
239.18083	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	239.164
Annotation	Penihydrone
Peak:m/z	Relative Intensity
53.03945	0.6
55.05522	2.2
55.42082	0.4
62.47681	0.5
63.61717	0.4
67.05486	1.6
69.07055	1.6
71.04984	0.6
71.45423	0.6
79.05488	1.4
81.07038	3.5
89.06016	2.0
91.05481	3.9
93.07039	2.1
95.04961	1.1
95.08600	2.7
97.10142	0.6
105.07033	1.7
107.08582	1.4
109.06517	2.9
109.10130	1.8
119.04974	1.1
119.08579	1.1
121.06455	0.8
121.10162	0.7
123.11668	0.7
126.44321	0.5
133.06529	0.5
133.08585	0.4
133.10135	0.7
134.40575	0.4
135.11690	1.5
137.05968	100.0
138.06279	0.5
140.96834	0.4
147.11673	1.5
151.07532	26.1
153.09128	0.5
161.06000	0.7
161.13245	0.5
165.09204	0.7
175.14893	0.5
177.05504	0.8
195.10178	2.2
203.17950	0.7
221.11865	1.0
221.15350	11.1
221.18774	0.8
231.16090	0.5
239.08893	22.7
239.16312	0.6
239.20038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
54.47426	1.5
54.93540	1.5
55.05501	4.5
57.03426	1.4
57.07063	3.4
59.05002	2.5
61.26075	1.5
64.86050	1.5
67.05486	4.8
69.07063	9.5
74.99792	1.6
79.05486	3.9
81.07056	19.4
83.04969	1.9
83.08614	1.8
85.02905	2.5
89.06020	5.4
91.05471	2.3
93.07046	4.9
95.08619	8.3
97.06541	2.4
105.07027	4.4
107.08576	9.1
109.06472	1.7
109.10117	9.7
113.02357	5.0
116.98614	2.0
119.08549	7.1
121.10165	4.6
123.11713	2.1
125.09639	3.1
129.05486	1.7
133.08638	2.2
133.10146	2.8
135.11726	2.2
137.09567	2.2
139.11185	2.1
147.11650	4.4
149.13257	2.4
153.12883	1.6
161.13287	3.0
164.78548	1.5
164.80072	1.6
165.12784	2.0
176.63266	1.5
179.10808	1.8
182.08365	2.7
203.17996	4.5
221.15312	1.8
221.18997	4.2
239.08896	100.0
239.15363	9.8
240.09377	2.2
240.82310	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
52.58895	0.8
55.05510	15.4
55.66249	0.9
56.47991	0.9
57.07074	100.0
61.29398	0.9
67.05503	41.3
69.07066	19.4
71.08632	60.3
71.31906	0.9
71.44182	0.8
72.14870	0.9
76.48646	1.1
77.77947	0.9
79.05489	3.1
80.94868	2.0
81.07056	42.6
83.08620	21.4
85.06534	2.8
85.10184	29.2
89.06023	9.0
90.07322	1.1
92.46774	0.9
93.07037	1.9
95.08606	62.8
97.10162	10.1
99.04470	1.1
103.07504	0.9
109.10151	21.6
109.10891	1.3
111.11721	1.9
123.11701	6.3
133.08607	4.1
137.13327	1.5
155.89079	1.0
166.76469	0.9
192.91080	1.0
239.08861	15.0
239.23779	2.1
240.31375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.05019	0.3
69.07066	0.5
69.48586	0.9
72.04519	1.4
74.06068	0.5
79.05482	0.5
81.07053	1.0
82.06586	0.3
83.08604	0.4
93.07040	1.2
94.06575	0.5
95.08618	1.3
107.08620	0.4
108.08130	0.7
111.50172	0.3
112.07602	0.7
114.09126	0.6
122.09654	0.9
123.10445	0.5
124.07598	2.6
126.09151	0.4
128.10718	0.6
135.11688	0.4
136.11232	1.6
137.13235	0.4
138.09122	0.6
139.09933	0.9
140.10654	0.8
142.12248	0.7
150.12796	0.9
151.13568	0.4
152.10658	1.5
152.14308	0.6
153.11501	0.6
154.12271	1.5
166.12274	3.7
167.13051	1.7
168.13869	1.2
178.15897	0.4
194.15416	1.9
196.16971	100.0
197.17342	1.3
198.18585	1.0
240.19580	73.4
241.19940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67487	0.3
54.12847	0.3
55.05512	0.4
56.05041	0.4
66.31968	0.2
67.05515	0.4
69.07058	0.4
69.67070	0.6
69.67429	0.6
70.06577	0.3
72.04511	1.1
74.06071	0.6
79.05502	0.3
81.07047	1.3
93.07046	0.9
94.06568	0.5
95.08584	0.5
100.07589	0.3
107.08554	0.7
108.08111	0.8
114.09241	0.4
122.09664	0.9
124.07582	3.6
126.09123	0.4
128.10713	0.7
135.11647	0.6
136.11206	1.3
137.13249	0.7
138.09137	0.8
139.09909	0.6
140.10724	0.7
142.12303	0.8
150.12724	0.7
151.13489	0.7
152.10666	1.4
153.11519	0.6
154.12337	1.4
156.68163	0.3
166.12263	3.2
167.13031	1.5
168.13849	0.8
178.15878	0.4
194.15358	1.5
196.16969	100.0
197.17325	1.3
198.18536	1.3
199.76019	0.3
240.19577	75.8
241.19957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01880	2.9
55.05509	0.8
57.03440	3.4
59.05009	0.7
59.61664	0.4
59.93801	0.4
61.02943	0.4
63.13680	0.4
67.05509	2.0
69.03429	100.0
69.07063	0.6
70.03779	0.4
71.01356	0.9
71.05000	2.6
73.02917	3.7
75.98773	0.4
76.64144	0.4
79.05505	2.2
81.03416	17.6
81.07064	0.9
83.01343	0.8
83.04988	2.5
83.23935	0.4
85.02901	8.4
85.06539	0.4
85.73939	0.4
87.04487	1.3
91.05476	1.7
93.07046	1.3
95.01333	1.6
95.04964	2.8
97.02892	73.9
98.97569	2.7
99.04460	6.6
101.02374	0.9
103.18230	0.4
105.07089	0.6
107.04950	1.6
107.08572	0.5
109.02871	5.8
109.06567	0.6
111.04401	2.0
113.02366	0.9
115.03944	4.7
116.98608	1.4
117.06982	2.2
119.04916	0.8
119.08550	0.5
121.06503	0.8
123.04427	1.6
125.02326	0.7
127.03031	0.8
127.03916	12.3
134.99646	0.6
135.04463	1.0
135.08032	0.7
137.05928	1.0
139.03871	1.1
145.04927	2.1
149.05991	1.1
151.03966	0.6
151.07526	1.0
153.05473	0.7
163.07614	0.5
165.05450	0.4
173.04442	1.3
177.05437	1.0
177.09100	1.0
181.04898	0.5
193.04964	0.5
195.06549	0.8
195.10138	0.6
202.66083	0.4
205.04817	0.6
205.12215	1.2
211.06029	2.7
223.06004	1.0
223.09679	0.5
223.13300	0.6
241.04660	0.4
241.07053	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	241.1071
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03942	2.2
55.01876	7.3
55.05511	12.5
57.03420	5.0
57.07075	2.4
59.04992	2.4
61.02918	2.7
65.03932	4.1
67.05504	17.7
68.99809	2.9
69.03438	15.1
69.07069	7.2
69.22459	1.5
69.48242	5.9
71.01358	15.0
71.04990	27.7
71.08641	2.2
77.03915	2.3
79.05492	32.3
81.03413	10.1
81.07054	18.4
82.78039	1.6
83.01353	15.1
83.04986	18.0
83.08617	3.0
85.02915	7.6
87.04457	2.5
91.05479	32.6
93.07045	36.8
95.04978	14.7
95.08600	14.1
97.02895	40.7
97.06533	6.0
97.10156	5.3
98.22659	2.9
98.97573	10.4
99.04443	3.6
99.08113	2.3
100.78658	1.5
103.03954	1.6
103.05457	2.7
105.03365	1.8
105.04475	2.7
105.07027	31.7
106.04182	1.8
106.68748	1.7
107.04942	11.8
107.08591	36.8
109.02885	4.8
109.06519	12.2
109.10139	13.8
111.04437	11.0
111.08091	10.8
113.02357	18.9
113.06005	4.2
115.05460	8.3
116.06239	3.7
116.98615	6.5
117.07026	24.2
119.04939	4.1
119.07745	2.7
119.08579	49.7
121.02962	1.6
121.06497	22.1
121.10149	25.7
123.04428	6.6
123.08064	14.6
125.02352	55.0
125.05941	2.6
125.09628	18.1
127.03889	3.2
128.06216	1.8
129.07008	6.6
131.04906	2.8
131.08566	21.9
133.06522	11.4
133.10120	9.7
134.99680	2.7
135.04431	8.4
135.08054	29.2
135.11694	45.7
137.05956	14.0
137.09625	24.2
139.03918	7.6
139.07532	4.7
139.11188	4.9
141.05495	1.6
141.06998	2.6
143.08559	2.5
144.05659	6.6
144.09355	4.7
145.06509	9.1
145.10126	11.1
146.07257	2.0
147.08070	14.9
149.06009	7.2
149.09615	30.4
149.13240	8.1
151.07538	14.8
151.11160	3.8
152.08386	2.3
153.05464	3.5
153.09099	47.8
153.12729	3.2
157.04961	2.5
158.01219	2.2
158.06049	3.1
159.08047	20.5
159.11690	27.0
161.05943	4.2
161.09628	9.2
162.03101	9.7
162.06786	10.2
162.10342	3.4
163.03909	3.2
163.07550	12.8
163.11191	13.6
165.09137	8.3
167.07022	3.3
167.10735	2.9
169.06483	1.8
172.08823	2.3
173.05991	21.6
175.11118	2.0
177.00716	2.0
177.05481	100.0
177.09084	32.4
177.12732	29.7
178.05833	2.1
179.07083	8.1
179.10695	5.3
181.08583	4.7
187.07558	12.2
187.11092	9.2
191.07059	1.8
195.06532	21.0
195.08234	2.0
195.08572	2.0
195.10143	16.6
195.13799	6.2
205.08609	41.5
205.12195	13.8
213.11151	4.8
223.09673	61.9
223.13219	29.0
224.10139	1.4
241.07037	2.4
241.10759	23.2
241.14343	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	241.1072
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03941	0.9
55.01873	4.9
55.05519	7.8
57.03430	1.1
59.05004	1.5
61.82616	0.6
65.03940	0.8
65.51678	0.6
67.05500	3.7
67.64128	0.7
68.99782	2.3
69.03426	2.2
69.07066	1.7
69.28339	2.1
69.28745	1.6
71.01358	4.9
71.05000	4.0
78.10905	0.7
79.05486	9.5
81.03416	2.4
81.07056	9.3
83.01343	31.0
83.04971	3.1
83.08619	1.4
85.02917	1.3
89.62729	0.7
91.05492	3.7
93.03408	1.5
93.07021	5.1
95.04974	1.7
95.08601	1.3
97.02893	5.6
97.06541	1.5
99.04455	0.8
99.08073	1.2
101.06002	2.4
103.05467	1.7
105.03403	0.8
105.07046	6.5
107.04971	3.2
107.08591	3.0
109.06525	1.3
111.04402	0.9
111.08085	0.9
113.02373	9.8
113.05988	1.8
115.05434	2.4
117.07013	4.1
118.42054	0.7
119.04926	1.5
121.06525	6.0
121.10130	1.1
123.04439	2.3
125.02355	54.9
125.05983	8.4
125.09595	0.7
128.06195	3.0
129.07042	2.7
131.08557	4.8
133.06487	16.0
133.10143	0.8
135.04463	0.8
135.07196	0.7
135.08029	4.0
137.02336	0.8
137.05983	8.3
139.03871	3.8
140.04720	0.7
140.32123	0.6
141.06976	4.3
145.06509	2.2
147.04404	5.1
149.06001	2.9
149.09622	6.3
151.07549	2.7
153.05475	27.9
153.09109	27.8
157.06496	2.9
159.08040	4.7
161.05980	100.0
162.06578	1.3
163.07538	18.1
167.07034	2.5
169.06487	9.1
171.10167	0.7
177.05428	4.2
177.09105	23.5
179.07031	53.0
181.05008	0.7
181.08632	3.5
185.05980	5.4
187.07556	2.2
189.11176	0.8
191.06940	0.8
195.10188	8.2
197.05994	3.3
205.08606	30.3
213.05478	11.1
223.09651	95.6
224.09917	1.0
241.04973	29.0
241.10689	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	241.1071
Annotation	CMPF
Peak:m/z	Relative Intensity
54.99168	0.8
55.01870	2.2
55.05512	6.3
59.05012	1.4
59.32446	0.8
59.44616	0.7
67.05510	4.8
69.03421	2.0
69.07075	0.8
71.04997	7.2
73.21219	1.0
73.21632	0.8
77.03896	0.8
79.05497	2.8
80.86557	0.8
81.03410	2.9
81.07025	1.9
83.01327	4.7
83.04983	3.7
85.02906	1.1
91.05470	4.5
93.03394	1.3
93.07031	3.7
95.04974	2.9
95.08594	1.6
97.02858	1.7
97.06521	1.4
98.23582	1.5
98.97559	4.3
99.04456	1.2
101.06033	1.7
103.05501	1.6
105.07043	7.8
107.04957	1.9
107.08564	3.0
109.02847	1.4
109.06489	1.6
109.10127	1.7
111.04392	0.7
113.05998	1.5
115.05455	1.4
116.98626	4.0
117.07008	3.8
119.08580	3.2
121.06520	5.6
121.10149	3.1
123.04436	3.8
125.05972	7.2
125.09669	1.0
127.55140	0.7
131.08566	6.5
133.06491	13.7
133.10123	2.2
134.99690	1.5
135.08075	4.7
135.11656	3.0
137.05112	0.9
137.05980	5.3
137.09644	1.7
139.03889	2.0
141.05417	1.7
141.07018	1.0
145.06415	1.2
145.10078	0.8
147.08052	1.2
149.05974	2.5
149.09598	6.4
151.07597	1.2
153.05458	26.1
153.09036	1.6
158.01297	1.4
159.08064	5.6
159.11792	1.6
161.05975	100.0
162.06534	0.9
163.07538	11.1
163.11171	1.5
165.09122	1.0
167.07043	3.3
177.05449	3.3
177.09108	25.4
177.12660	1.4
179.07025	48.5
181.04980	3.0
181.08594	2.8
187.07524	2.4
195.10179	3.1
205.08600	24.6
223.09651	90.5
223.13286	3.1
224.09967	1.1
226.88841	0.8
241.10735	12.0
241.13205	1.1
241.14178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1071
Annotation	CMPF
Peak:m/z	Relative Intensity
55.01865	1.3
55.05514	6.3
57.03432	0.8
57.24350	0.7
59.04998	0.8
60.09040	0.6
67.05513	0.8
69.44114	1.5
69.44482	2.5
71.04974	0.7
77.77773	0.6
79.05475	1.7
81.07072	0.8
83.04962	2.1
89.47258	0.7
91.05486	2.6
93.07060	1.3
97.06505	0.9
98.22658	1.5
98.97575	4.0
101.06027	1.7
103.05476	1.2
105.07027	1.7
107.04945	3.2
107.08569	0.8
107.32855	0.7
109.06518	1.6
113.30643	0.7
115.05426	0.8
116.98642	1.7
117.07010	3.8
118.04184	1.0
119.08611	0.7
121.06517	4.8
121.10145	0.9
123.04431	3.6
125.05116	1.2
125.06000	18.6
128.10722	0.7
131.04968	1.7
133.06497	39.9
135.04433	0.9
135.08055	4.2
137.05983	8.2
139.03899	0.8
140.04701	1.5
141.05484	2.4
145.06514	2.5
147.04414	1.3
149.05998	2.1
149.09627	7.3
151.07564	4.7
153.05475	31.0
156.10135	0.7
159.08090	1.4
161.05984	78.6
162.06693	1.9
163.07558	16.1
165.09079	0.8
167.07071	3.2
175.07474	1.4
177.05606	3.7
177.09119	31.3
178.09415	0.7
179.07039	44.1
180.07410	1.1
181.08627	0.8
187.07622	1.7
195.10173	2.0
196.13309	1.5
205.08618	16.8
205.12370	3.9
208.07500	0.8
223.09662	100.0
224.09975	1.7
241.10770	11.5
241.19077	0.7
261.73172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.37182	0.8
51.54234	0.8
53.03946	1.5
55.01861	2.1
55.05305	0.9
55.05515	9.5
57.03431	3.2
57.07072	1.4
58.84803	0.9
61.02905	0.8
62.02625	0.8
65.03927	1.7
67.05505	11.8
69.03431	8.3
69.07072	5.3
71.01360	10.3
71.04992	42.2
71.61563	0.9
79.05493	13.7
81.03422	2.0
81.07053	8.4
83.01362	5.1
83.04982	21.9
83.08619	0.9
85.02892	2.7
87.04490	1.0
91.05482	27.1
91.08701	0.9
93.07046	30.9
95.04962	9.0
95.08616	10.4
97.02869	3.4
97.06530	6.5
98.97591	5.3
99.04460	2.5
103.05467	2.5
105.03374	1.0
105.04519	1.1
105.06433	0.8
105.07027	27.9
107.04964	3.0
107.08595	44.1
109.06522	12.8
109.10157	13.2
111.04428	3.0
111.08089	14.3
113.02379	2.6
113.05986	1.8
115.05429	2.9
116.98612	3.2
117.07013	11.9
119.08582	97.5
120.09416	2.0
121.06511	16.4
121.10143	26.2
122.07280	2.7
123.04424	1.7
123.08072	14.2
123.11689	1.1
125.02353	9.9
125.05975	3.0
125.09631	13.4
127.03964	1.0
128.06229	2.2
129.07001	10.9
130.07767	4.5
131.08556	11.0
133.06485	2.7
133.10132	13.9
134.99631	1.5
135.04477	0.9
135.08058	25.1
135.11693	100.0
136.11987	1.5
137.05928	3.1
137.09613	49.8
137.13217	1.0
139.03848	1.1
139.07533	4.1
139.11148	1.2
143.08539	3.6
144.09315	12.1
145.06418	1.9
145.10129	23.8
146.07242	1.3
147.04419	2.6
147.08047	29.9
147.09082	1.0
149.05981	1.8
149.09596	5.4
149.13251	21.3
151.07500	2.1
151.11168	3.4
152.08308	6.7
153.05440	2.0
153.09108	43.8
153.12723	4.1
153.48720	1.0
157.10115	2.3
159.08052	2.2
159.11693	66.6
161.05994	6.0
161.09616	13.3
162.10396	9.6
163.07512	4.8
163.11185	37.3
165.09111	13.0
167.07037	1.8
167.10721	1.1
169.10036	1.7
172.08871	4.3
175.11176	2.4
177.00647	1.3
177.09117	4.0
177.12743	64.5
178.13103	1.4
179.07037	4.0
179.10658	8.4
181.04996	1.4
181.08601	2.8
181.12276	2.1
187.07533	1.2
187.09596	1.7
187.11176	20.7
193.04926	0.9
193.12177	2.3
195.10193	2.2
195.13791	17.4
205.08604	4.6
205.10284	1.2
205.12233	22.9
223.06287	1.4
223.09883	13.3
223.13275	69.7
240.21017	1.0
241.10672	2.4
241.14224	8.8
257.77063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.1
56.89859	1.4
67.05499	5.8
69.03429	2.9
69.26848	1.2
70.30773	2.5
71.01376	2.6
71.04992	13.3
79.05489	5.2
81.07055	3.0
83.04978	6.6
85.02926	1.4
91.05480	10.7
93.07049	10.2
95.04964	2.5
95.08604	5.0
97.06514	1.3
98.97560	4.2
105.07024	9.3
107.04943	1.4
107.08604	11.1
108.08157	1.3
108.64409	1.2
109.06520	2.7
109.09482	1.3
109.10155	5.6
110.03817	1.2
111.04439	1.3
111.08086	5.2
116.98605	2.4
117.07013	4.0
119.08583	25.6
121.06501	5.2
121.10125	7.6
123.08079	3.6
124.07616	2.3
125.05989	1.5
125.07877	1.9
125.09635	3.7
129.06999	1.9
131.08560	2.6
133.10127	5.3
135.08086	6.9
135.11694	26.1
137.09615	13.6
137.11504	1.4
138.09166	1.4
139.07600	1.5
140.10281	2.2
144.09326	2.5
145.10074	7.1
147.08025	8.2
149.09622	4.1
149.13254	5.3
151.11208	1.4
152.08289	1.7
153.09096	11.4
153.11028	1.5
159.08090	2.1
159.11693	20.3
161.06001	4.5
161.09590	4.5
162.10390	2.7
163.07518	1.3
163.11172	9.4
165.09206	2.5
167.12614	2.9
168.13431	2.8
172.08849	1.8
177.09094	3.5
177.12750	20.0
179.07127	1.2
179.10683	2.1
181.05008	4.1
181.08659	1.9
187.11162	7.2
195.10178	1.2
195.13823	3.9
195.15724	1.9
196.16983	15.4
197.17311	100.0
198.17551	1.3
198.45992	1.3
199.18845	2.7
205.08551	1.2
205.12271	7.6
223.09631	3.9
223.13292	19.2
241.06932	1.4
241.10617	10.4
241.14334	2.3
241.19939	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Cucumegastigmane I
Peak:m/z	Relative Intensity
55.05516	0.8
57.07070	1.8
59.05001	5.5
63.95242	0.6
65.03917	1.0
67.05497	2.7
69.03410	0.8
69.07062	1.0
69.51490	3.3
71.05000	6.0
77.03911	1.2
79.05487	4.2
81.07048	1.2
85.06532	2.2
91.05475	9.9
93.07044	2.8
95.04956	2.7
98.97569	5.4
103.05465	4.2
105.04491	1.4
105.07015	11.1
107.08570	0.9
108.05739	1.3
109.06518	1.3
109.58097	0.6
116.98620	2.6
118.04155	1.0
120.05712	1.8
121.06501	14.4
121.10117	1.1
122.07269	0.7
122.41847	0.7
123.08071	1.8
127.73766	0.7
131.08623	0.7
133.06482	1.9
134.99687	1.0
135.08044	5.2
137.05995	2.3
138.06738	1.9
139.03886	4.6
139.07532	3.6
145.10040	0.8
147.08025	0.8
149.05977	1.3
150.06735	5.2
151.07533	100.0
152.08261	1.6
153.09108	9.7
154.64645	0.9
158.07317	1.3
159.08020	2.8
161.05977	3.6
163.07574	1.0
163.14772	1.2
165.09106	48.2
166.09448	1.1
173.09595	1.7
174.10320	3.7
175.07603	3.7
176.08389	4.2
177.09149	2.3
179.10672	1.3
181.08617	6.8
190.09894	5.6
205.12228	80.7
206.12624	1.4
223.09840	1.2
223.13281	26.0
223.16837	1.8
241.08774	0.8
241.14218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.05499	2.0
56.96553	1.0
57.03415	2.3
67.05505	1.0
67.58926	0.7
67.59290	0.8
69.03422	2.4
69.07055	1.5
69.71857	2.6
71.04974	0.8
75.04459	2.2
77.03931	0.8
79.05492	9.4
81.07053	1.9
91.05474	8.7
93.07040	52.3
94.07352	0.8
95.04958	3.0
95.08588	1.8
98.97555	4.0
103.05460	1.4
105.07026	7.8
107.04922	1.5
107.08598	3.4
111.08072	1.5
116.06256	0.8
116.98602	2.5
117.07009	1.2
119.08582	1.8
121.06507	2.0
121.10139	100.0
122.10537	1.1
123.08066	1.0
124.05188	0.9
125.05983	1.3
131.08563	5.1
133.07599	1.3
134.99666	1.0
135.08076	2.1
139.07549	1.6
139.11252	0.7
145.06508	2.1
145.10098	1.0
149.09610	18.1
151.07542	7.8
163.07497	1.7
167.10658	7.3
177.00783	0.7
177.12715	1.6
180.07869	0.9
191.07059	1.0
205.12210	4.3
223.09702	4.5
223.13098	3.2
241.05022	0.8
241.09399	0.9
241.14334	1.2
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	Pirbuterol
Peak:m/z	Relative Intensity
55.05480	0.2
56.96562	1.9
58.06599	15.8
59.96392	0.2
70.06586	2.4
70.51834	0.3
71.95267	0.2
72.08147	0.2
80.05016	0.2
81.03419	0.5
84.08138	8.4
91.09775	0.2
97.07696	0.2
98.06067	0.4
98.09703	1.4
98.97581	14.8
100.11249	0.6
114.05539	0.4
116.07099	0.2
116.98619	7.1
126.05580	0.3
126.09112	0.3
128.10713	3.3
128.11606	0.3
134.99644	1.8
142.81631	0.2
144.10216	1.4
152.10707	0.3
168.10194	0.9
196.09688	4.9
199.07600	0.6
202.25244	0.2
213.15952	0.5
217.08607	0.6
218.62782	0.2
228.58345	0.2
235.06888	0.2
241.15453	100.0
242.15744	1.7
258.99741	5.0
259.99930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28168	0.2
58.06601	15.6
59.91315	0.2
66.53885	0.2
69.59261	0.4
70.06593	2.8
72.08143	0.3
73.13371	0.2
80.05037	1.3
81.03397	0.3
84.08144	8.9
90.48830	0.2
98.06053	0.4
98.09700	1.4
98.22851	0.4
98.23412	0.3
100.11225	0.5
101.56303	0.2
109.99854	0.2
114.05529	0.4
116.07108	0.3
116.10748	0.2
118.53426	0.2
126.05532	0.3
126.09166	0.3
128.10728	3.3
144.10170	1.1
148.93080	0.2
158.08015	0.3
168.10207	1.1
177.57236	0.2
187.23450	0.2
190.45001	0.2
196.09706	4.6
196.11533	0.3
213.15938	0.7
241.15463	100.0
242.15778	1.4
259.08325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
57.03436	5.1
58.06598	5.8
59.05009	0.9
59.06932	1.4
61.02916	2.6
69.03429	2.7
69.85127	1.5
69.85459	1.1
71.01332	0.8
71.04983	1.6
73.02917	2.1
80.05017	100.0
84.08155	3.6
85.02905	12.3
85.08483	1.3
87.04441	4.0
89.02392	2.6
97.02905	2.8
98.09682	1.5
99.04451	1.1
101.02396	5.8
110.07135	1.3
115.03917	11.4
120.18172	0.8
127.03880	1.5
129.01834	12.9
133.02518	0.9
133.05000	1.6
143.03400	6.8
145.04945	2.2
147.02881	0.9
157.01332	10.6
161.04427	8.2
163.06009	0.9
171.02936	2.1
189.03934	29.0
196.09743	1.8
197.10036	3.5
203.71207	0.8
207.04912	2.2
224.07704	1.0
242.10381	3.8
242.15790	48.0
261.02997	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61500	0.4
70.68509	0.9
78.86275	0.4
80.05001	0.7
112.03725	5.0
132.35953	0.5
138.64737	0.6
149.96490	0.4
153.05240	5.6
171.06320	0.7
176.21051	0.4
224.08928	5.9
233.79648	0.5
242.09991	100.0
243.10335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01874	0.7
56.80125	0.2
57.03436	1.3
58.06599	2.4
58.11372	0.2
59.05014	0.3
59.06936	0.8
61.02927	1.3
62.91762	0.2
63.52834	0.2
66.86248	0.2
69.03423	2.2
69.55948	0.4
69.56339	0.4
70.06600	0.4
71.01353	0.4
71.04984	0.4
71.06955	0.3
73.02927	0.9
80.05016	100.0
81.03403	1.0
81.05350	0.4
81.92717	0.2
83.01376	0.2
84.08160	1.0
85.02902	6.6
85.08468	0.4
87.04466	0.9
89.02403	0.4
91.03944	0.5
97.02889	1.8
99.04469	0.4
101.02373	0.8
104.10704	0.4
109.02879	0.6
110.06029	0.9
110.07151	0.3
115.03918	2.1
117.76368	0.2
127.03914	1.4
127.09530	0.2
128.10725	0.4
129.01840	1.3
129.11003	0.4
138.03180	0.6
143.03412	0.9
145.04947	1.4
157.01311	2.0
161.04453	0.7
161.05661	0.3
171.02730	0.2
176.93454	0.4
180.04272	0.2
189.03923	5.2
196.09676	0.3
197.10036	0.7
207.05029	0.4
224.03220	0.6
225.12270	0.2
241.15471	0.6
242.10258	2.9
242.15788	17.7
258.50043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.154
Annotation	Acutine
Peak:m/z	Relative Intensity
54.93569	0.1
56.05025	0.4
63.38364	0.1
63.39044	0.1
65.03940	1.3
69.27358	0.4
69.27764	0.2
74.05699	0.2
74.06080	1.7
79.05482	0.1
81.89101	0.1
91.05481	100.0
92.05804	0.9
105.07037	0.9
106.06525	0.3
122.09632	0.1
132.08092	0.3
134.09644	2.1
143.60777	0.1
150.09145	6.7
153.06953	0.1
154.47917	0.1
165.06973	0.4
166.07767	1.3
179.08597	0.3
181.10117	7.3
242.15393	39.1
243.15770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51007	1.2
57.55173	1.4
69.55587	6.0
94.93017	13.0
95.42640	1.6
164.93480	6.9
166.95105	1.7
174.73178	1.4
176.93518	100.0
194.94582	1.5
196.68015	1.2
224.95596	9.0
242.96672	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28472	0.7
56.23839	0.7
67.14746	0.7
69.03423	2.7
69.62600	3.1
74.03474	0.7
81.03409	3.5
85.02890	2.9
90.17156	0.7
94.92999	6.9
98.22818	0.9
98.98458	18.2
99.04461	1.2
101.00861	4.0
109.02869	7.1
116.99460	0.9
119.01924	9.4
127.03910	4.1
137.02988	1.9
158.97270	2.9
158.99937	2.0
160.04503	1.3
164.93581	2.1
176.93509	47.0
176.98369	2.2
177.00935	18.8
178.01042	0.9
182.94539	1.0
200.98250	1.2
201.00865	2.1
217.04134	2.8
218.99623	2.2
219.01985	24.1
220.02138	3.4
224.95689	3.9
225.01147	2.6
242.96703	19.8
242.99315	1.8
243.01955	10.9
261.03049	100.0
262.03311	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	243.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01876	15.0
55.05510	2.2
55.93533	1.9
56.96556	1.6
57.03436	1.5
60.05646	2.5
65.03950	2.6
67.05502	8.9
68.99792	3.1
69.03415	1.4
69.07069	3.6
70.06603	6.1
70.60393	2.0
71.01352	8.2
71.04984	2.4
72.08144	1.2
77.03964	1.3
79.05495	21.4
81.03417	3.8
81.04544	9.6
81.07060	19.4
83.01347	3.7
83.04974	3.1
83.06121	1.2
84.04504	4.8
84.08146	1.6
85.02927	2.9
86.09711	5.9
89.94025	1.2
90.94813	1.4
91.05479	14.8
93.03406	3.8
93.07053	9.8
95.04967	10.6
95.08605	6.7
97.02888	2.0
97.06557	1.9
98.97598	2.4
99.00845	1.6
99.08073	1.7
103.05465	5.4
105.07029	46.5
107.04952	8.7
107.08578	3.1
109.02892	4.6
109.06532	12.5
111.04455	4.7
113.07150	7.6
115.05462	18.9
116.07094	2.7
117.07027	13.4
119.04957	9.0
121.06507	4.8
123.04454	6.3
123.08080	12.2
125.05991	15.2
126.01099	2.3
127.03925	2.5
127.05057	3.3
127.07574	2.7
127.08601	1.3
130.09709	1.0
131.04869	1.5
132.10210	1.7
133.06496	73.7
135.04430	3.8
135.08064	8.4
137.02371	1.2
137.05969	14.7
137.06883	1.5
139.03882	2.4
139.07567	3.5
143.04964	6.0
145.06480	13.0
146.85358	1.0
147.04407	17.9
149.05969	3.5
149.96133	1.9
151.03917	1.6
151.07549	40.8
153.05470	1.5
155.03384	3.3
155.07042	31.6
155.08298	2.0
161.05991	44.9
161.07335	2.1
163.03906	73.9
163.07524	12.6
165.05481	19.6
165.09200	1.6
167.07042	1.7
179.07033	100.0
181.04997	2.9
183.06570	1.6
189.05458	7.5
194.04124	1.1
197.08084	15.1
197.12946	3.1
204.30016	1.2
207.06528	31.2
215.09061	2.6
219.96667	2.8
225.07567	11.5
225.09399	1.4
243.02792	2.0
243.06549	1.9
243.10547	11.8
243.13557	9.4
243.18069	6.5
260.95563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01865	4.2
55.05513	9.3
56.05038	1.6
57.03435	22.8
61.02919	1.5
65.03929	1.0
67.05507	6.2
69.03428	44.0
69.03806	2.2
69.07070	11.0
69.34686	5.4
71.01363	1.8
71.04984	7.5
71.08629	1.2
72.08116	1.1
73.02915	4.6
79.05490	23.3
81.03417	25.9
81.07054	100.0
82.06573	1.4
83.01331	1.2
83.04978	11.5
83.08623	3.4
85.02901	35.9
85.06521	1.5
86.09694	1.7
87.04473	3.1
89.02391	1.2
91.05480	6.8
93.07038	7.6
95.04964	9.3
95.08607	4.9
97.02895	18.6
97.06542	3.6
98.22721	2.0
99.04462	12.7
99.08090	12.3
101.02366	1.3
103.03947	1.3
105.04513	0.9
105.06998	6.1
107.04982	1.7
107.08582	4.2
109.02876	8.4
109.06510	7.6
109.10166	2.1
111.04432	3.4
111.08072	4.1
115.03922	4.0
116.93196	0.9
117.07051	2.0
119.08565	3.3
121.06492	3.0
121.10172	1.3
123.04485	1.3
123.08054	6.4
125.09630	1.5
127.03907	29.4
127.04848	1.6
129.05487	7.4
129.77127	1.1
131.08528	2.9
133.06503	1.5
133.10126	2.7
135.08054	3.7
137.05972	1.1
137.09654	2.6
139.07520	2.4
140.05292	1.8
145.04962	7.0
147.07993	2.3
149.09651	3.4
151.11212	1.0
161.09589	3.3
165.09169	1.9
177.09050	1.1
179.10600	1.7
181.04872	1.0
189.09099	3.1
197.11534	1.0
207.10158	4.2
225.11244	2.7
230.44012	1.1
243.08063	3.3
243.12180	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	243.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01865	4.2
55.05513	9.3
56.05038	1.6
57.03435	22.8
61.02919	1.5
65.03929	1.0
67.05507	6.2
69.03428	44.0
69.03806	2.2
69.07070	11.0
69.34686	5.4
71.01363	1.8
71.04984	7.5
71.08629	1.2
72.08116	1.1
73.02915	4.6
79.05490	23.3
81.03417	25.9
81.07054	100.0
82.06573	1.4
83.01331	1.2
83.04978	11.5
83.08623	3.4
85.02901	35.9
85.06521	1.5
86.09694	1.7
87.04473	3.1
89.02391	1.2
91.05480	6.8
93.07038	7.6
95.04964	9.3
95.08607	4.9
97.02895	18.6
97.06542	3.6
98.22721	2.0
99.04462	12.7
99.08090	12.3
101.02366	1.3
103.03947	1.3
105.04513	0.9
105.06998	6.1
107.04982	1.7
107.08582	4.2
109.02876	8.4
109.06510	7.6
109.10166	2.1
111.04432	3.4
111.08072	4.1
115.03922	4.0
116.93196	0.9
117.07051	2.0
119.08565	3.3
121.06492	3.0
121.10172	1.3
123.04485	1.3
123.08054	6.4
125.09630	1.5
127.03907	29.4
127.04848	1.6
129.05487	7.4
129.77127	1.1
131.08528	2.9
133.06503	1.5
133.10126	2.7
135.08054	3.7
137.05972	1.1
137.09654	2.6
139.07520	2.4
140.05292	1.8
145.04962	7.0
147.07993	2.3
149.09651	3.4
151.11212	1.0
161.09589	3.3
165.09169	1.9
177.09050	1.1
179.10600	1.7
181.04872	1.0
189.09099	3.1
197.11534	1.0
207.10158	4.2
225.11244	2.7
230.44012	1.1
243.08063	3.3
243.12180	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	243.1592
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
50.45021	1.6
53.03937	4.0
55.01870	3.9
55.05510	29.8
57.03437	11.2
57.07073	3.3
59.05003	20.2
61.02930	2.6
65.03945	3.0
67.05502	65.5
68.99803	2.2
69.03422	3.4
69.07008	10.3
71.01347	3.5
71.04993	38.9
73.06596	2.5
79.05488	44.3
81.03415	25.3
81.07056	100.0
82.07382	2.0
83.04987	13.4
83.08598	11.3
85.02919	3.2
85.06540	14.3
87.04463	7.2
91.05476	54.0
93.07047	33.1
94.65180	1.6
95.04961	13.8
95.08601	23.4
97.06532	16.1
97.10178	3.5
99.08066	2.6
100.80112	1.7
105.07022	34.1
107.04946	5.1
107.08584	32.7
109.06501	9.3
109.10148	5.2
111.04436	4.1
111.08065	8.7
113.06003	6.5
119.08573	22.4
121.06532	2.5
121.10135	29.3
123.08051	7.5
123.11690	12.6
127.07558	2.4
129.06992	11.0
131.08562	21.4
133.10126	34.3
135.08107	2.1
137.09666	1.7
142.07719	3.0
145.10144	2.5
147.07988	3.5
147.11688	39.8
149.09618	37.1
151.11136	4.6
157.10112	20.3
158.20473	1.7
165.12758	6.3
167.10661	5.6
169.12102	1.9
175.11168	23.7
179.14296	3.7
181.12292	2.1
183.13828	2.6
187.13336	7.9
193.12241	41.5
197.15353	25.1
199.13239	7.9
211.13281	25.8
225.14839	91.8
226.15115	1.8
236.76555	1.8
243.15903	23.9
246.24220	1.7
247.13687	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60832	32.6
70.06588	42.0
72.08150	13.8
84.04504	13.9
84.08148	16.7
84.89983	9.8
86.06084	20.5
94.93024	12.9
96.54045	10.4
100.11251	16.2
101.00880	20.8
104.10741	100.0
106.83673	9.1
112.05123	18.5
113.05436	13.8
116.10655	9.8
119.01910	30.2
143.01804	11.6
155.01849	12.1
161.02985	20.5
168.52446	10.0
178.93365	18.5
184.40953	9.6
185.02911	35.8
203.03960	17.1
244.11874	11.2
244.96407	15.6
245.00566	21.8
245.04842	34.7
245.11479	23.2
245.14961	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	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
56.96563	3.5
57.03423	0.9
67.05513	3.4
69.07084	1.3
71.04992	1.4
71.17871	0.8
72.19239	0.7
74.02422	1.0
79.05494	10.4
80.05013	3.6
81.03404	3.4
81.07052	4.1
82.06066	0.7
83.05010	1.7
85.02892	1.7
89.52804	0.6
91.05479	14.0
93.07056	8.0
95.04958	3.3
95.08618	1.2
97.06523	2.8
98.23489	0.8
98.97579	0.8
100.07680	0.7
100.11239	1.2
100.40746	0.9
103.05468	1.1
105.07030	1.8
107.04931	5.2
107.08593	9.1
109.06511	3.3
111.04441	2.4
111.08109	0.8
113.05993	0.8
115.05444	2.2
116.07123	0.8
117.07026	19.0
119.04929	1.5
119.08584	6.9
121.06501	22.3
123.04505	1.8
125.06004	1.3
133.06482	1.2
135.08051	34.0
137.05980	4.3
137.09596	1.0
139.03896	4.3
139.07507	1.5
145.06482	19.3
147.04414	6.8
147.08063	8.2
149.05946	3.2
149.96213	0.9
153.09100	8.6
155.06058	1.1
155.07120	0.9
161.05974	1.1
163.07541	100.0
164.07782	1.4
164.10667	1.2
165.05518	3.7
165.09116	2.6
167.07040	3.4
181.08594	57.9
182.11760	5.6
191.07033	16.8
199.09662	9.7
199.43449	0.7
200.12775	3.6
203.07140	1.2
209.08072	17.9
227.09131	29.9
244.20451	1.1
245.04399	4.0
245.10114	7.3
246.13359	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	245.102
Annotation	Tensyuic acid F
Peak:m/z	Relative Intensity
55.01869	6.5
57.03429	0.8
61.13485	0.7
67.05492	2.0
70.40876	1.7
74.10455	0.7
77.03938	0.7
79.05499	9.6
81.03409	1.7
81.07053	3.4
83.04963	1.3
91.05482	13.4
93.07058	7.5
95.04951	1.7
95.08598	1.1
97.02850	0.8
100.12032	0.7
103.05473	1.1
105.07003	1.4
106.10566	0.7
107.04942	5.0
107.08607	6.7
109.06525	2.9
111.04424	3.0
111.08070	0.8
115.05458	2.1
117.07021	16.9
119.04932	1.6
119.08603	6.6
121.06502	19.5
125.05967	1.3
125.09633	0.9
135.08061	33.9
137.05945	4.1
139.03908	2.0
139.07535	1.3
145.06490	18.2
147.04413	6.9
147.08023	6.7
149.05957	2.4
153.09109	9.2
155.05951	0.8
155.07085	1.2
161.86603	0.7
163.07542	100.0
164.07921	0.8
165.05519	2.5
165.09146	2.5
173.06013	1.2
181.08600	47.6
191.07048	16.0
199.09651	8.3
209.08096	11.7
227.09131	20.9
245.10303	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94097	0.6
55.01871	6.0
56.89182	0.6
65.11048	0.6
67.05497	2.0
70.40728	1.5
75.00607	0.7
79.05486	8.8
79.21662	0.6
81.03426	1.9
81.07061	3.4
83.01318	0.9
83.04968	1.0
91.05482	14.9
91.06056	1.1
93.07053	8.3
95.04973	2.2
104.36017	0.9
104.60432	0.6
105.07014	0.8
107.04964	5.3
107.08591	7.7
109.06534	3.9
111.04445	3.2
111.08123	0.8
115.05490	1.8
117.06184	1.1
117.07014	18.6
117.07813	1.4
119.04932	1.5
119.08578	6.3
121.06507	20.3
123.04411	1.6
125.05988	2.0
135.08055	34.0
136.17694	0.7
137.05974	4.5
137.09746	0.8
139.03885	3.2
139.07527	0.8
141.05540	0.7
141.06802	0.7
145.06494	19.5
147.04428	5.4
147.08055	8.3
149.05991	3.0
153.09102	9.0
155.05939	1.0
155.07031	1.4
163.07547	100.0
165.05443	2.5
165.09114	3.0
173.06039	0.7
181.08598	52.8
191.07033	17.0
196.65833	0.8
199.09673	9.0
209.08109	14.5
227.09137	25.6
245.04611	1.2
245.10281	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	245.1286
Annotation	Peganidine
Peak:m/z	Relative Intensity
52.93585	0.3
55.05513	0.4
58.76976	0.4
70.06566	0.8
71.19227	0.3
71.42439	0.4
79.05501	0.7
81.03426	0.4
81.07030	0.6
83.04977	0.7
85.02895	2.0
86.09702	4.4
87.04436	0.3
90.59881	0.3
90.94855	0.5
91.05479	0.4
95.08613	0.6
107.04952	0.4
108.18133	0.3
111.04436	0.7
119.08578	0.5
121.06511	0.6
130.06609	0.3
132.08089	0.9
133.07642	0.5
135.04312	0.3
135.08054	0.4
139.03957	0.6
140.83990	0.4
145.10159	0.5
149.96059	0.5
156.06920	0.4
157.08864	0.7
158.09650	0.5
159.09172	0.3
162.11440	0.4
163.07529	1.2
167.07254	1.1
169.07593	1.1
171.09215	1.0
172.09952	3.8
172.11218	0.5
172.97673	0.5
173.10727	0.3
181.08707	0.8
182.09639	1.1
183.09146	3.6
183.10497	0.6
184.09969	5.5
185.10721	1.2
186.11559	0.8
197.10747	4.4
198.11526	3.5
199.12305	55.4
200.12923	1.7
201.13879	0.7
209.08121	0.7
212.09584	0.4
227.11778	100.0
228.12201	1.7
229.09688	1.0
230.10539	1.8
245.04532	2.9
245.12860	56.2
246.13112	1.4
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	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.95541	0.2
51.41840	0.2
54.46275	0.2
55.01878	0.4
55.05503	0.5
56.05041	0.2
56.96571	0.7
57.05820	0.3
58.06597	0.3
67.05505	0.6
69.03429	0.2
69.07072	10.3
71.05003	0.4
79.05486	0.9
81.03458	0.3
81.07073	0.5
82.06583	0.2
83.04978	0.8
85.02899	0.9
86.09709	100.0
87.10023	0.9
90.94824	0.3
91.05484	4.9
91.06043	0.3
93.07038	0.8
95.08622	0.6
97.06512	0.4
98.97568	1.3
105.07009	0.4
107.04955	0.3
107.08604	0.6
109.06540	0.3
111.04468	0.3
111.08082	0.2
113.02382	1.2
114.31841	0.2
116.98645	1.5
117.07049	0.5
119.08590	0.5
121.06520	0.5
121.10164	0.6
123.08089	0.4
123.11688	0.2
131.08521	0.2
132.10210	1.8
134.99648	1.1
135.08067	0.6
139.03958	0.4
141.02254	0.6
142.03227	0.3
145.06476	0.5
149.05984	0.7
149.09625	0.2
149.96222	0.2
153.02292	0.2
153.09198	0.2
157.05093	0.2
159.03323	0.6
161.13219	0.2
163.07562	1.9
165.09158	0.2
167.03300	0.2
167.06996	0.3
167.97147	0.3
170.02718	0.2
171.03256	1.7
171.04503	0.3
172.97862	0.3
173.05902	0.2
176.57698	0.2
179.14345	0.9
181.08649	1.8
189.04306	1.7
191.06964	0.9
191.10712	0.3
197.15411	0.6
198.11897	0.2
199.12305	0.9
199.18138	0.8
200.10727	0.4
209.08102	1.5
209.11716	0.2
209.15443	0.4
213.02260	0.2
213.04185	0.4
227.07286	0.2
227.09207	1.0
227.11896	1.3
228.10156	0.4
231.05496	0.3
245.04578	0.3
245.06735	0.3
245.13370	1.7
245.18597	5.5
246.17064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09625	0.4
55.01887	0.6
55.05510	0.7
56.96563	1.2
57.24463	0.4
67.05492	1.3
68.05017	4.1
69.07066	9.0
69.24321	0.4
69.50652	2.0
70.06561	0.6
71.04971	0.4
74.02431	7.7
79.05483	4.7
80.05016	31.0
81.07047	1.1
82.06576	0.6
83.08607	2.1
84.04523	0.7
84.08114	0.5
86.06064	1.4
91.05475	1.7
93.07070	2.4
93.07565	0.4
94.06537	1.0
95.08607	1.5
96.04466	0.9
97.06529	10.5
100.07602	0.6
105.07055	0.5
106.45989	0.4
109.10147	1.3
111.08041	0.6
117.76101	0.5
119.08601	2.4
120.08118	2.0
121.06615	0.5
122.06744	0.5
122.09666	0.5
129.07001	0.5
136.08372	0.8
136.11220	6.9
137.09627	1.2
139.07478	0.6
146.09647	3.9
147.08051	0.5
154.12274	4.8
156.03345	3.0
159.04393	0.5
164.07935	2.9
164.10707	18.6
165.59674	0.4
168.03346	2.1
174.00594	0.7
174.04309	2.6
182.11761	66.8
184.36914	0.4
186.04391	5.4
200.12813	37.0
204.05461	2.5
208.56277	0.4
210.11249	6.7
228.05460	2.6
228.10054	0.8
228.12244	4.5
246.06522	1.7
246.13354	100.0
247.06154	0.6
247.13774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.8
56.05027	1.7
57.07075	18.7
64.88197	0.6
65.45081	0.7
67.05505	0.9
69.07053	2.4
70.06583	3.1
71.45776	0.9
74.02448	7.9
81.07051	1.2
83.04941	0.6
87.08104	100.0
88.03986	2.0
89.33961	0.7
91.05478	1.0
96.08128	1.4
100.03983	1.3
101.09650	2.0
102.05539	14.7
109.10259	0.7
110.09717	1.4
116.07077	4.3
121.10103	0.8
130.41420	0.6
142.06363	0.7
142.08641	4.0
144.06558	2.2
156.10178	6.1
160.09673	18.3
193.08862	0.7
193.12137	1.3
211.13232	3.4
214.14357	4.8
246.14793	1.3
246.16939	14.9
253.54605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05506	0.4
56.96565	6.6
57.07069	0.4
60.08165	0.3
61.02924	0.4
65.97815	0.2
68.05033	0.4
68.99781	0.4
69.07128	0.2
70.06593	16.1
72.26556	0.2
79.05496	0.3
81.07051	0.3
83.04955	0.4
84.04502	0.5
84.08118	0.4
85.02904	6.6
86.09703	0.7
87.10046	0.3
88.21968	0.3
91.05483	0.8
95.04982	0.3
95.06107	0.4
96.08147	0.7
98.97579	1.4
100.07613	0.4
102.04678	0.6
103.05464	2.1
105.07037	0.4
115.05447	0.8
116.98628	0.6
117.06969	0.3
120.05733	0.5
124.07596	0.8
124.11233	11.2
128.07062	0.6
128.98584	0.4
130.04144	0.7
131.04935	11.3
134.99716	0.3
142.12265	0.6
145.02834	0.3
145.06534	0.7
146.99664	0.4
147.04355	1.0
148.05191	1.0
156.06567	0.4
156.51158	0.3
158.03613	0.4
159.04420	13.4
160.04878	0.3
161.05998	0.4
162.03137	1.0
162.06253	0.3
163.07558	0.4
164.07909	0.6
169.01553	0.9
170.11761	100.0
171.04402	0.5
171.12109	1.3
172.05051	0.5
173.05981	0.6
175.03671	0.5
176.04681	7.3
177.05504	1.4
178.02057	1.6
179.03378	0.6
184.02037	2.2
184.52208	0.6
185.02274	0.6
186.03078	1.1
187.02602	0.5
187.03915	11.9
187.09676	1.0
188.04584	0.3
189.52942	0.4
190.05885	0.6
191.07047	3.1
193.02505	1.3
195.52678	0.4
200.04437	0.8
201.05438	0.9
202.02940	0.6
203.03224	2.5
204.04175	6.9
205.04999	3.0
209.04460	1.0
213.53928	0.5
214.02594	0.3
214.14342	0.9
215.03384	7.3
216.04117	0.4
218.05522	1.1
219.06529	11.7
228.03610	0.4
228.82021	0.3
229.04941	1.6
231.02742	2.1
232.03670	3.8
246.05060	4.5
246.13155	0.4
246.17010	3.5
246.19391	0.5
247.06017	21.7
260.03207	1.0
264.94116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95327	0.6
70.36375	1.6
72.08136	2.2
73.20971	0.6
98.23425	0.8
98.98456	2.6
102.53798	0.7
104.10717	1.4
118.08595	1.7
119.01904	1.3
153.26193	0.7
154.40999	0.6
157.06001	0.7
167.03200	1.3
171.67578	0.6
175.04300	0.7
187.02135	0.7
229.03197	24.5
247.04248	100.0
248.04648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40556	1.6
60.08160	3.3
69.96270	3.2
69.96598	3.0
70.06586	5.7
72.08154	6.5
81.52789	1.7
84.04517	1.7
84.08163	2.3
85.02897	2.8
94.92982	2.0
98.22755	2.6
100.07640	3.2
104.10740	100.0
112.08757	3.2
118.08654	29.7
130.09760	11.5
202.89101	2.6
229.03177	7.1
246.18297	3.1
247.04149	28.8
247.13905	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	247.1329
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
53.03938	5.3
55.05499	4.5
57.07063	1.5
58.19629	1.5
59.04950	1.4
65.03915	2.7
67.05495	4.6
69.03429	22.5
69.07051	1.7
70.34883	2.6
72.31570	1.1
79.05486	9.2
81.07054	9.3
83.04986	17.2
85.02904	1.6
85.06560	1.2
87.42653	1.3
91.05486	13.5
93.03411	3.6
93.07030	14.6
95.04952	5.9
95.08627	1.4
97.02905	6.5
104.99248	4.6
105.07033	11.9
107.05004	1.4
107.08594	13.6
109.02876	20.7
109.06510	12.2
109.10143	3.1
109.34589	1.3
111.04409	6.4
111.08044	1.8
115.05473	3.4
117.07011	8.7
119.08582	17.2
121.02896	4.5
121.06493	19.9
121.10118	7.8
121.99883	1.3
123.08005	1.5
128.06195	2.2
129.06982	4.0
131.08565	17.2
131.72928	1.3
132.05716	1.8
133.06461	1.9
133.10095	12.7
135.08047	27.0
137.06000	7.7
137.09602	2.8
139.03828	2.5
141.06963	2.6
142.07762	2.5
143.08556	10.5
144.09331	9.8
145.06471	9.6
145.10097	9.6
147.08031	4.8
149.06015	2.0
149.09607	20.7
150.10446	3.2
151.11194	2.9
152.64600	1.2
155.08517	4.7
157.06476	1.4
157.10112	3.7
158.07227	2.2
158.10893	13.2
159.08078	10.7
159.11684	27.5
160.08844	3.6
161.09596	4.6
163.07558	17.5
163.11133	2.9
165.09128	2.5
168.09357	5.3
169.10028	2.8
170.10889	5.3
171.08046	7.0
171.11700	2.5
172.08838	12.9
173.09631	27.6
173.13252	39.3
183.11667	8.0
185.13200	3.6
186.10397	22.4
187.07561	2.9
187.11169	100.0
188.11555	2.2
189.09152	3.1
189.23657	1.4
191.07019	23.3
193.10110	2.5
193.49976	1.5
196.08765	5.1
201.12735	69.2
205.12202	8.1
211.11165	10.0
214.09885	3.9
219.13727	4.6
229.12228	69.7
230.12511	1.4
247.13275	62.0
247.16962	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	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03940	4.1
55.01875	1.3
55.05499	4.9
57.07075	1.4
60.30881	1.0
65.03925	3.8
67.05493	2.5
69.03435	20.8
69.74052	1.4
69.74398	3.2
79.05493	8.8
81.07051	10.5
83.04980	22.3
91.05473	16.0
93.03397	4.4
93.07043	14.0
95.04988	7.3
95.08627	1.5
97.02918	5.9
97.06574	1.2
103.05426	1.4
105.07027	17.5
107.04967	2.4
107.08588	20.0
109.02873	21.4
109.06512	15.3
109.10144	2.5
111.04432	4.7
111.08088	1.5
115.05440	2.8
117.07013	11.4
119.08578	20.6
121.02874	4.2
121.06496	21.4
121.10145	7.1
123.08060	2.7
125.05957	1.6
128.06207	4.1
129.06995	8.0
130.07721	2.6
131.08559	21.1
132.05690	1.7
133.06451	1.6
133.10143	11.8
135.08064	31.8
137.05983	8.0
137.09584	4.8
139.03885	1.8
141.06973	2.9
142.07790	3.5
143.08537	12.2
144.09355	12.3
145.06505	11.4
145.10106	14.7
145.97865	1.3
147.08069	5.4
149.05959	2.5
149.09615	24.5
150.10390	5.0
151.11169	4.5
153.07031	1.9
153.09050	1.3
155.08528	4.6
157.06612	1.4
157.10092	4.5
158.07280	1.4
158.10928	17.0
159.08040	12.1
159.11690	36.6
160.08810	3.8
161.09619	4.7
163.07541	26.6
163.11176	2.7
165.09137	2.5
167.08524	1.4
168.09355	5.0
169.10075	3.5
170.10905	4.0
171.08066	7.0
171.11647	1.3
172.08835	16.7
173.09650	27.5
173.13251	43.2
181.06482	2.6
183.11687	8.9
185.09586	2.8
185.13228	2.1
186.10397	27.6
187.11177	100.0
188.11574	1.2
189.09103	3.8
191.07033	28.3
193.10126	1.4
196.08803	5.2
197.20940	1.1
199.07477	1.7
201.12741	66.6
203.14148	1.4
205.12228	10.7
211.11192	13.4
214.09885	3.1
215.46515	1.1
219.13766	7.2
229.12251	69.2
247.13284	73.1
248.13727	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72942	0.2
58.06600	1.8
59.07374	1.8
60.05651	1.5
69.03442	0.3
70.06590	16.7
70.88902	0.3
71.04992	2.8
78.68966	0.2
84.66212	0.2
85.02910	0.2
88.07620	0.6
104.10731	1.4
104.99633	0.2
112.08728	8.6
118.08653	100.0
119.09019	0.6
130.09763	30.3
136.72578	0.2
147.22722	0.2
160.72166	0.2
164.81712	0.2
192.29793	0.2
230.04935	0.3
247.04233	0.6
247.17651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1506
Annotation	Peramine
Peak:m/z	Relative Intensity
53.05148	0.4
56.04941	0.5
57.62725	0.3
59.04850	0.3
59.39983	0.4
69.03310	0.4
69.33225	0.8
69.33617	0.7
71.04457	1.2
71.04841	30.7
71.05531	1.4
79.05342	1.0
79.05798	0.6
79.90565	0.3
81.06897	4.5
81.07429	1.0
82.29891	0.3
85.02789	0.7
95.04866	0.4
105.06886	0.4
108.04263	0.4
113.09485	10.5
113.10357	0.8
119.03450	0.6
135.06564	0.4
136.06184	8.6
136.07141	0.4
146.04604	3.4
148.06038	1.6
162.07693	0.9
164.06960	1.3
170.72780	0.4
174.07747	2.0
178.07196	0.7
186.07710	0.8
187.58939	0.4
193.09744	0.4
199.09737	0.8
216.12440	77.2
217.09682	1.8
217.12715	1.4
248.15117	100.0
249.11397	0.7
249.15314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
52.11004	0.2
85.02911	0.2
85.05735	0.2
85.18295	0.2
96.36955	0.2
106.06512	0.2
116.87521	0.2
118.06535	4.1
119.08553	0.2
130.06630	0.2
131.07285	0.2
132.08081	1.7
133.08861	0.6
134.09636	0.5
144.08052	0.4
146.09639	1.9
150.07726	0.6
160.11217	0.6
174.12781	1.0
176.14337	11.5
190.08617	10.1
191.09200	0.2
202.08463	0.2
202.15895	2.2
203.16594	0.9
204.10181	5.2
205.10957	1.6
206.11795	0.3
218.11746	4.4
219.12410	0.2
232.13277	0.3
243.19933	0.2
248.16444	100.0
249.16798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.8968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39307	0.4
70.87985	0.5
94.93014	100.0
111.79580	0.4
114.89362	0.5
133.03180	0.4
136.94054	1.0
150.91994	4.6
171.74380	0.4
194.12834	0.4
206.88593	25.3
210.39673	0.5
212.85155	0.4
230.88501	0.5
248.89642	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51625	6.1
71.43115	5.9
88.90881	6.2
90.70940	7.6
94.93008	73.3
104.10757	48.9
105.11082	37.0
133.03465	8.1
146.81807	6.7
146.95308	6.6
180.39136	7.2
194.72472	7.7
206.88623	12.5
248.89725	19.4
248.96777	7.5
249.03674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01868	4.8
55.05522	0.4
57.03434	9.9
59.04995	1.3
61.02924	6.0
67.05493	0.7
68.99796	3.2
69.03424	85.9
70.03751	0.6
70.78684	0.3
71.01350	2.6
71.04988	8.2
71.45479	0.4
73.02911	4.6
77.58997	0.3
79.05502	0.3
81.03413	31.8
81.07045	0.4
83.01334	2.7
83.04980	0.7
85.02898	100.0
87.00823	32.7
87.04458	2.3
91.03944	0.6
91.05477	0.7
93.07043	0.7
95.08581	0.4
97.02885	55.4
98.03225	0.4
99.00809	0.5
99.04449	24.8
101.02370	2.5
103.03945	0.9
105.01861	15.2
105.05510	0.3
105.07027	1.0
107.04922	0.3
107.08608	0.5
109.02868	17.0
109.10192	0.4
109.56344	0.3
111.00800	1.3
111.04476	0.4
115.03930	2.3
117.01817	0.5
117.07038	0.4
119.08578	0.3
121.06513	0.5
127.03905	85.4
128.04260	0.3
128.06187	0.6
129.01826	1.8
129.06981	0.7
131.08557	1.0
133.06500	0.5
133.10118	0.5
136.06160	0.5
141.06996	0.4
143.08577	0.4
145.04944	19.3
145.10173	0.5
147.02898	0.6
147.11717	0.4
153.01845	0.3
157.06477	0.6
157.10197	0.4
159.02864	2.3
159.08041	0.9
159.62849	0.3
161.09633	0.9
168.13847	0.5
171.02884	1.1
174.11534	1.4
175.12379	2.0
176.13080	1.2
186.14850	0.6
187.07536	0.7
189.03923	0.6
189.09113	0.3
203.06982	0.4
203.15593	1.8
206.09204	1.1
213.03816	1.4
213.12718	0.3
217.04965	0.4
219.10172	0.4
230.06528	0.3
231.04959	7.8
231.10144	0.6
231.15080	2.6
249.07629	0.4
249.11209	4.1
249.16013	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01870	0.8
55.05514	1.1
57.03445	0.6
57.07093	0.5
59.04986	1.7
67.05496	1.3
68.37347	0.5
69.03424	1.9
69.07050	0.9
71.04991	0.9
79.05492	1.8
81.03414	1.4
81.07054	2.0
83.70262	0.5
85.02897	1.4
91.05479	5.6
93.07036	1.6
93.11555	0.5
95.04964	1.3
95.08613	0.6
97.02895	1.8
97.06538	0.8
103.05460	0.6
105.07022	3.6
107.04950	1.8
107.08594	2.0
109.02888	0.8
109.06500	1.0
109.10141	0.8
113.05820	0.5
115.05484	3.3
116.06213	2.3
117.07043	2.4
119.04956	0.6
119.08585	1.4
121.06531	0.8
121.10184	1.0
123.08064	0.6
125.09589	0.5
127.03901	0.7
128.06224	7.7
129.06096	1.0
129.07007	16.0
131.04910	1.3
131.08568	14.2
133.06488	2.2
133.10120	1.8
135.08063	0.9
137.09619	0.7
141.06969	7.5
142.07751	3.4
143.08578	2.5
144.05716	7.4
145.06493	4.1
145.10149	1.6
146.07260	3.0
147.04358	1.1
147.08032	0.6
147.11650	0.8
152.06200	1.3
153.06960	1.9
153.09102	0.6
155.06007	1.3
156.05682	0.7
157.06516	6.8
157.10008	0.6
158.07272	1.7
159.08054	23.2
159.11627	1.1
160.05190	1.1
161.05959	2.7
161.09605	7.4
163.07513	0.6
163.11163	2.0
167.07047	1.0
169.06392	1.0
169.07643	2.4
170.07248	6.5
171.04457	1.2
171.08026	5.2
172.05191	2.2
173.06003	3.6
174.06715	1.5
175.07547	2.7
181.07617	0.6
186.06723	1.1
187.07545	15.9
189.05447	2.2
189.09105	7.5
190.06277	1.3
198.06845	1.3
199.07553	2.4
201.05466	1.3
203.06993	5.2
204.07814	9.1
205.08539	1.4
205.10493	0.5
206.09343	0.9
216.07883	2.5
217.08592	0.8
218.09387	1.5
219.10158	1.0
221.08026	0.9
221.11789	2.4
231.10170	7.0
231.13832	1.2
231.17264	0.9
234.08853	1.2
249.11223	100.0
249.16748	2.4
249.18616	1.4
250.11694	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03938	0.4
55.01871	0.5
57.03426	0.8
57.88624	0.3
59.04995	0.6
59.93509	0.3
67.05495	0.9
69.03433	2.1
79.05462	0.6
81.03414	0.8
81.07030	0.3
85.02917	2.2
87.00818	0.8
87.04425	0.3
91.05466	5.1
95.04927	0.4
97.02878	1.3
99.04456	0.7
103.05440	0.5
105.01852	0.5
105.07030	1.9
107.04929	1.4
107.08558	0.4
109.02838	0.3
111.04478	0.4
115.05451	4.2
116.06246	2.7
117.07029	2.4
119.08579	0.8
121.06483	0.6
123.04401	0.6
127.03912	1.1
127.05325	0.4
128.06221	7.8
129.07004	18.3
130.07738	1.0
131.04915	1.8
131.08563	16.4
132.05698	1.1
133.06502	1.6
133.10146	1.5
139.05402	0.4
141.06990	8.1
142.07774	3.5
143.04915	0.7
143.08565	3.2
144.05702	7.2
145.06494	4.1
145.10092	0.3
146.03677	0.4
146.07294	2.3
147.04387	1.6
147.08017	0.6
149.05994	0.4
151.07666	0.3
152.06181	1.1
153.06972	2.2
155.05986	2.1
156.05696	1.8
157.06499	8.8
158.07262	1.7
159.08051	22.8
160.05185	1.2
160.08577	0.7
161.05995	3.2
161.07254	0.5
161.09621	6.3
163.07524	0.5
167.07037	0.8
169.06429	1.1
169.07613	3.8
170.07254	7.5
171.04393	1.0
171.08044	5.5
171.09396	0.4
172.05186	3.0
173.05983	3.3
174.06766	2.3
175.07541	3.2
177.05418	0.5
178.06267	0.8
179.07037	0.4
181.07632	0.5
184.05138	0.5
185.05923	0.8
185.09555	0.5
187.07539	16.1
188.08272	1.0
189.05460	2.3
189.09097	7.5
190.06201	1.0
191.06979	1.5
192.07851	0.4
193.08620	1.1
198.06805	1.8
199.07520	2.4
200.08299	0.4
201.05449	1.5
203.07048	4.8
203.10675	0.7
204.07811	11.7
205.08611	1.8
206.09381	1.0
216.07829	3.2
217.08572	0.7
218.09334	1.2
219.10208	1.9
221.08032	0.9
221.11653	2.9
231.10165	6.6
231.13852	0.8
234.08920	1.0
249.11211	100.0
250.11516	2.0
269.89786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	Heliannuol G
Peak:m/z	Relative Intensity
55.01870	5.7
55.05518	3.8
57.07077	13.9
59.05002	1.0
65.03931	2.3
67.05502	8.6
68.99789	3.7
69.03413	1.8
69.07072	6.9
70.75375	1.2
71.08635	1.1
79.05491	4.4
80.57211	0.7
81.07062	7.7
83.04979	1.6
83.08626	0.9
85.06536	7.5
91.05474	13.8
93.03433	0.7
93.07034	1.6
95.04963	5.0
95.08605	5.1
96.85121	0.7
103.05454	2.3
105.03381	1.1
105.07029	12.7
107.04948	3.2
107.08591	1.1
109.06511	3.3
109.10123	0.8
111.04435	16.2
115.05450	12.1
116.06207	1.0
117.07011	4.2
119.04936	26.6
119.08582	5.0
121.02857	0.9
121.06474	1.8
121.10133	0.9
123.04427	19.8
123.08032	0.9
127.03898	0.8
128.06227	5.9
129.06998	14.1
131.04895	1.3
131.08565	10.5
132.05692	1.7
133.06490	49.4
133.10106	1.2
135.08066	1.0
137.05956	4.3
139.03899	48.7
141.06975	5.2
142.07759	2.0
143.04939	4.2
143.08556	3.2
144.05740	4.3
145.06462	6.3
146.07274	2.4
147.04407	34.0
147.05568	1.8
147.08038	20.6
147.11641	0.9
149.06000	5.8
151.03903	1.5
151.07550	2.7
153.05457	3.8
153.06787	1.1
155.06033	2.2
156.05690	0.8
157.06479	8.0
158.07315	1.2
159.08058	14.7
160.05212	4.0
161.05972	63.3
161.09595	5.7
161.13275	0.9
163.07541	10.0
165.05469	89.0
166.05731	1.5
167.07042	1.7
169.07607	1.9
170.07260	3.2
171.08041	4.7
172.05182	1.5
173.05965	2.5
173.09641	2.1
174.06757	2.2
175.07541	22.6
175.14899	0.9
177.05487	1.2
178.06108	1.2
179.07025	100.0
179.14294	2.4
185.09602	0.9
185.13257	3.1
187.07516	8.1
188.08298	0.8
189.05484	0.8
189.09076	12.0
193.08569	3.7
198.06818	1.3
199.07439	1.2
201.05479	1.5
203.07036	3.6
203.10532	0.9
203.14297	10.5
204.07802	6.4
205.08504	1.5
213.12749	3.0
216.07793	1.8
219.10214	0.8
221.11656	1.2
221.15459	3.8
231.10124	3.2
231.13780	38.8
249.11217	51.1
249.14862	47.1
249.76779	0.8
250.11508	2.2
250.15332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44051	0.3
55.01880	0.2
55.05504	0.4
67.05511	0.6
69.03433	0.3
69.07066	2.9
69.32594	0.6
69.32995	0.8
71.04986	0.4
73.06551	0.5
79.05494	1.1
81.03414	0.3
81.07042	0.7
85.02864	0.3
91.05511	0.3
94.04064	0.8
97.02903	0.4
97.06528	2.9
98.98466	12.5
109.06457	0.3
110.03539	0.3
116.99507	0.4
119.03563	1.5
120.08085	0.4
134.09698	0.4
135.03044	0.8
136.06183	96.8
137.04576	1.2
137.06581	0.4
152.05675	11.6
153.02988	0.3
153.04048	1.6
154.07245	0.3
174.07758	1.0
174.99199	0.5
187.24309	0.3
197.08105	0.3
204.04797	0.2
232.12117	0.5
250.12979	100.0
251.08994	0.3
251.13264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.031
Annotation	Diazodiphenoquinone
Peak:m/z	Relative Intensity
54.94797	1.7
56.44897	1.6
62.24475	1.8
69.58118	6.4
79.81106	1.8
96.69859	1.8
98.23481	2.2
98.98475	32.4
103.53335	1.8
118.94118	3.9
122.33543	1.8
148.61258	1.5
151.35896	1.9
179.23001	1.8
190.99840	6.8
209.00856	10.5
250.80701	1.9
251.03084	100.0
252.03513	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0549
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
51.02391	0.2
55.01861	1.3
57.02759	0.2
63.02377	0.3
65.03930	1.0
68.99763	1.5
70.73855	0.3
71.01344	2.6
76.26494	0.2
77.03929	0.7
78.04697	1.7
79.05488	1.5
81.03399	0.4
89.03898	3.1
89.78809	0.2
90.33507	0.2
90.73273	0.2
91.05471	10.2
92.02679	0.2
93.03398	0.4
93.06995	0.8
95.04953	1.2
98.98459	4.6
103.05458	3.9
105.03384	1.3
105.04495	0.3
105.07036	0.4
106.04160	2.4
107.04945	4.3
115.05454	0.4
117.03365	5.7
118.04176	0.6
119.04933	12.9
120.02068	0.3
121.02836	0.8
121.06494	1.7
123.04448	0.5
131.04916	2.7
133.02832	2.0
133.06439	0.5
134.03632	5.9
135.04396	2.7
137.02362	0.4
137.05968	0.9
138.03081	0.4
139.03874	0.3
145.01692	0.5
145.02832	8.3
146.03598	2.1
147.04388	14.5
148.01495	0.3
149.02316	1.1
149.05965	11.1
150.03053	0.5
151.03865	1.0
153.05475	1.5
159.04388	2.2
161.02428	0.4
161.05980	1.6
162.03105	29.6
163.03886	9.6
164.01143	0.3
164.04666	2.4
165.01828	1.8
165.05446	0.7
166.02623	0.4
173.02330	8.2
174.02766	0.4
175.03886	19.3
176.04716	1.7
177.02068	1.4
177.05449	32.7
178.05798	0.3
179.03392	2.3
179.06992	1.9
181.05013	1.3
187.03725	1.2
189.01756	0.6
189.05469	0.5
190.00838	0.5
190.02588	14.9
191.03368	27.4
192.04135	2.6
195.06503	0.7
201.01849	1.6
204.04163	0.7
205.04941	100.0
206.05458	2.5
207.02859	0.7
207.06480	1.9
208.03613	1.8
209.04449	0.7
210.25319	0.3
215.03391	0.4
218.02086	3.9
219.02858	33.4
220.03395	0.4
223.05978	4.4
233.04417	84.8
234.04819	1.5
236.03119	0.5
250.15985	0.5
251.05484	27.4
252.05782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03943	0.2
55.01860	0.9
63.02377	0.3
65.03938	1.0
68.98852	0.2
68.99778	1.4
69.63647	1.0
71.01356	2.3
77.03941	0.9
78.04710	1.6
79.05502	1.7
81.03402	0.3
81.07049	0.3
82.04195	0.3
83.01354	0.2
89.03909	3.5
91.05476	12.3
93.03416	0.5
93.07022	0.5
95.04964	1.8
98.98463	19.2
103.05461	3.8
105.03388	1.5
105.04474	0.4
105.07019	0.6
106.04167	3.0
107.04952	4.3
109.02900	0.3
109.06512	0.3
114.27766	0.2
115.05448	0.4
117.03371	5.9
118.04182	0.5
119.04937	13.5
121.02857	1.0
121.06505	1.6
123.04409	0.8
129.03348	0.4
131.04922	2.4
133.02858	2.1
133.06485	0.7
134.03633	6.3
135.04419	3.3
136.05228	0.3
137.02426	0.3
137.05917	1.2
138.03107	0.7
145.02841	8.4
145.03818	0.3
146.03641	1.7
147.04402	14.8
149.02344	1.5
149.05974	12.4
150.03131	0.4
151.03899	1.3
153.05550	1.1
157.02802	0.3
159.04391	2.4
161.02310	0.9
161.05945	2.1
162.03116	31.7
163.03903	9.8
163.05310	0.4
164.04646	2.0
165.01837	2.1
165.05511	1.0
166.02574	0.4
173.02336	9.9
174.03070	0.3
174.99220	0.8
175.03903	18.0
176.04706	1.9
177.02126	1.2
177.05461	34.7
178.02591	0.3
178.05843	0.3
179.03398	2.4
179.07033	2.1
180.04227	0.4
181.04971	1.1
187.03879	1.2
189.01788	0.6
189.05420	0.5
190.02592	15.0
191.03380	27.7
192.04153	2.9
195.06538	1.1
201.01837	1.1
204.04166	0.9
205.04953	100.0
206.05469	2.0
207.02831	0.7
207.06540	2.6
208.03648	2.2
209.04488	0.8
215.03383	0.3
218.02086	3.7
219.02873	32.0
220.03203	0.6
222.05272	0.4
223.06026	5.3
233.04433	85.6
234.04668	1.2
236.03110	0.8
251.05498	29.7
252.05765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
57.03435	0.3
59.05000	0.2
63.99709	0.1
69.54237	0.1
69.79809	0.2
70.06593	0.3
71.05012	0.2
71.43976	0.1
72.08250	0.1
81.07060	0.3
85.02927	0.1
91.05499	0.3
94.04067	0.3
95.04926	0.1
98.98466	8.2
110.88039	0.2
113.05957	0.2
116.07071	0.8
116.99467	0.3
119.03566	0.7
119.04904	0.3
120.05309	0.2
131.07104	0.2
136.06183	100.0
137.04582	0.3
137.05927	0.5
137.06696	0.2
139.03899	0.4
145.96721	0.3
147.04433	0.4
148.04701	0.2
152.07130	0.2
163.03526	0.4
163.97758	0.4
164.04333	0.1
174.02701	0.2
174.99211	0.2
176.04158	0.3
178.05788	0.4
189.09149	0.1
191.03023	0.5
192.03712	0.5
205.98753	0.9
206.05325	2.0
219.02582	0.2
220.03299	0.7
228.41058	0.2
229.00261	0.3
234.04793	2.1
252.05811	0.3
252.10880	6.2
252.14336	1.1
253.06808	0.2
271.20416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03795	0.3
53.03938	0.7
55.05509	9.2
57.07066	0.5
58.06601	9.4
65.03961	0.4
65.88747	0.3
67.05503	10.9
69.07066	12.5
69.44738	0.3
71.08586	0.3
72.08147	0.9
79.05469	0.9
81.07052	11.4
83.08609	4.4
86.09721	0.4
93.07037	0.4
95.08602	12.4
95.09212	0.6
97.10172	1.9
98.09711	0.5
98.98466	13.0
102.62155	0.4
109.10153	4.3
112.68790	0.3
123.11681	1.1
136.32062	0.3
137.13260	0.4
163.97644	0.4
178.04845	0.4
196.06071	1.7
205.98740	0.8
215.38957	0.4
224.09174	0.8
228.72800	0.4
229.00420	0.4
234.18527	0.7
252.12251	1.6
252.26852	100.0
253.27222	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	252.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22482	0.4
55.05511	8.1
57.07069	0.8
57.31240	0.4
58.06604	9.3
67.05165	0.7
67.05506	10.9
67.05868	0.6
69.07066	8.3
72.08167	0.4
79.05504	0.9
81.07057	11.5
83.08620	3.3
93.07043	0.4
95.08028	0.7
95.08611	10.7
97.10165	1.6
98.09717	0.6
98.23535	0.8
98.98476	10.3
104.23627	0.4
109.10164	4.8
112.11367	0.4
123.11709	1.3
125.42670	0.4
126.62266	0.3
136.63161	0.4
137.13225	0.6
156.97849	0.4
182.19128	0.5
205.98839	0.6
207.11931	0.4
210.99135	0.5
229.07431	0.6
252.26868	100.0
253.27155	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	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01862	2.6
55.05508	6.7
56.96552	0.9
57.03435	5.7
61.02923	8.2
69.03429	19.1
70.57542	0.6
71.01353	0.7
71.04977	1.8
73.02918	3.0
73.06554	33.8
81.03422	5.5
83.01300	0.6
85.02902	100.0
85.54769	0.5
86.03255	1.0
87.04463	1.9
89.63007	0.4
91.03959	4.7
97.02894	20.7
98.22878	0.6
98.81884	0.4
98.98465	41.6
99.04452	4.3
100.98889	0.6
101.02390	0.8
103.03953	0.7
109.02876	8.9
115.03931	1.3
116.98671	0.6
127.03915	19.5
145.04953	23.5
153.01851	0.5
163.05975	5.1
163.07135	0.5
166.02885	0.6
173.91103	0.5
174.99261	0.8
176.98985	0.9
184.04578	0.8
185.45705	0.5
197.07808	0.6
197.11710	0.8
198.12158	0.4
199.92728	0.5
211.00925	0.9
217.25461	0.4
230.04918	0.6
231.07625	0.9
241.87129	0.5
248.01474	0.5
253.10831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01867	1.4
55.05255	0.9
55.05510	12.2
57.03434	5.0
60.42234	0.5
61.02686	0.7
61.02930	7.6
69.03430	16.1
70.55927	0.8
71.04988	2.2
73.02916	3.3
73.06555	64.6
73.99590	0.5
81.03409	5.3
85.02904	100.0
86.03236	0.6
87.04484	1.7
91.03956	4.7
91.07618	0.5
95.06117	0.6
97.02257	1.1
97.02892	20.6
98.98470	22.6
99.04448	4.9
101.02374	0.7
103.03947	0.6
105.30698	0.6
109.02872	8.9
110.07185	1.3
110.79748	0.6
115.03905	1.0
120.08084	1.2
120.21309	0.5
127.03913	19.7
128.26089	0.5
145.04958	22.2
163.06007	4.5
163.12294	1.3
174.99176	1.2
176.98956	0.5
208.14496	1.4
212.07758	0.7
230.08612	0.7
254.14908	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03959	1.6
55.01874	12.7
55.05510	13.9
57.03445	1.4
57.07068	2.4
58.06607	1.8
59.05003	1.7
59.40344	1.0
64.75464	1.1
65.03979	1.3
67.05505	21.4
69.03435	4.3
69.07070	14.6
70.06596	1.2
71.05000	12.4
77.03931	2.1
79.05492	28.4
79.05950	1.9
81.03407	1.8
81.07059	49.5
83.04984	13.6
83.08627	5.2
84.04530	1.2
85.06547	6.5
86.09718	2.0
86.49905	1.2
91.05480	27.9
93.07043	53.7
95.04971	15.2
95.08610	25.8
97.02872	1.2
97.06537	18.2
98.98466	100.0
99.04453	12.1
101.06024	5.4
105.04551	1.8
105.07030	41.4
107.04960	6.8
107.08595	28.7
109.06522	30.0
109.10149	15.4
111.04410	2.1
111.08092	5.5
113.06032	4.4
115.05452	1.2
116.99509	2.1
117.07043	3.8
119.04995	2.4
119.06084	1.1
119.08572	23.5
121.06506	65.7
121.10101	6.7
123.04407	6.7
123.08055	6.8
123.11729	3.4
125.05975	10.6
127.07543	10.4
128.06233	3.4
129.05559	1.8
129.06985	6.2
131.08548	7.3
133.06543	5.0
133.10130	27.3
135.04472	5.5
135.08052	16.3
135.11696	3.0
137.06000	4.2
137.09621	2.9
137.13197	1.4
139.07533	22.7
140.10757	3.8
141.05502	1.9
141.07034	1.1
142.07845	5.1
143.07074	7.3
143.08556	9.4
145.10107	10.9
147.04466	1.4
147.08057	6.3
147.11687	38.9
149.09683	1.9
149.13303	2.1
151.07695	2.4
151.11191	5.9
155.08630	1.5
156.09373	4.3
157.06596	1.6
157.08748	1.3
157.10104	15.6
159.08041	1.7
159.11612	1.3
160.08762	1.3
161.06003	1.5
161.09628	4.4
161.13252	14.2
163.14835	1.9
165.06987	2.0
165.12798	4.7
166.07797	3.2
168.10229	4.0
168.13892	4.6
169.12329	1.1
170.07303	1.4
171.08081	1.4
171.11702	19.1
171.13063	1.8
173.09598	5.5
173.13255	3.0
174.99240	2.5
175.07709	1.7
175.11183	27.3
175.14835	1.6
176.98950	1.9
177.14609	1.1
181.08746	1.1
181.10158	3.4
182.08424	6.4
184.08867	2.5
185.11671	1.1
189.12743	33.9
191.07005	1.3
191.10706	1.6
191.14267	1.1
193.12239	21.6
196.13322	7.2
197.11700	1.3
199.11189	29.1
207.13815	14.5
211.13374	1.6
217.12236	83.6
218.12616	2.2
221.17305	2.2
235.13287	70.8
235.17087	2.9
253.14378	72.9
253.20050	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	253.18
Annotation	Armatin A
Peak:m/z	Relative Intensity
55.01865	1.0
55.05513	3.5
56.49129	0.9
66.49113	0.9
67.05506	2.6
69.07070	3.4
70.69324	0.9
71.04999	1.5
79.05479	2.3
81.07054	4.2
91.05475	4.3
93.07056	4.2
95.04972	1.5
95.08582	5.3
96.14114	0.8
98.98466	100.0
99.04446	1.0
105.07029	78.9
106.07327	1.2
107.08581	4.4
109.10162	2.9
111.04504	1.0
111.08098	1.2
116.99510	2.7
117.07031	1.1
119.08580	24.7
121.06549	0.9
121.10146	3.8
123.08135	1.1
123.11707	3.1
131.08539	1.5
133.10123	6.6
135.11690	1.8
137.09641	1.3
143.08525	1.5
145.10156	1.6
147.11687	3.1
149.13344	1.1
153.47185	0.9
157.10130	1.6
159.11699	2.8
161.13252	65.1
162.13690	1.1
165.12756	4.8
169.04884	1.9
171.11722	1.1
173.13257	2.2
174.99286	2.5
175.11182	1.0
175.14873	1.8
176.98903	1.9
177.12726	1.5
189.16420	2.0
193.15756	1.2
195.63791	0.9
197.11823	1.2
199.14790	1.1
217.15884	3.7
235.16939	2.6
253.18106	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	254.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05506	4.5
56.05022	0.6
56.05832	1.0
56.96546	1.0
57.03418	2.1
60.08136	0.6
61.02903	1.8
68.05023	0.6
69.03423	2.6
70.03731	2.3
70.06596	3.4
71.12453	0.6
73.02883	0.9
73.06165	0.6
73.06558	10.3
74.06897	6.7
75.48413	0.5
79.05497	3.1
81.03383	1.1
81.04525	1.8
81.07054	12.1
82.03737	0.6
82.05296	2.2
83.05627	1.0
83.06107	13.2
85.02907	16.8
85.66600	0.5
86.03238	10.0
91.03920	0.8
93.03997	0.6
93.04528	7.8
95.04971	1.1
95.06091	20.1
97.02293	0.8
97.02871	4.1
98.03226	2.9
98.06043	2.7
98.98453	7.4
99.04418	0.7
107.06064	1.2
109.02890	1.8
110.03175	1.9
110.07164	68.8
111.05551	2.5
112.08702	2.2
117.88999	0.5
119.19376	0.6
121.07584	1.4
121.08425	1.4
123.04408	2.2
123.05521	4.7
125.07131	2.5
127.03931	3.0
128.04230	3.2
139.18852	0.6
143.18384	0.6
145.04904	1.8
146.05316	3.6
146.09683	0.5
151.03914	3.0
151.12256	0.8
156.07710	3.2
163.12306	33.1
166.02859	1.0
167.11794	3.6
180.12566	1.3
181.04906	0.6
181.13367	1.2
188.92383	1.8
190.11748	0.8
190.13391	14.2
193.13397	3.8
194.12856	1.7
195.09532	0.7
195.11292	19.1
208.14455	50.6
209.12750	2.9
209.14641	1.0
210.15895	1.7
219.11339	0.8
230.93535	0.8
236.13792	1.7
239.43924	0.5
254.14929	100.0
255.15251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
58.02944	1.0
58.06612	0.6
59.05006	0.3
67.05492	0.8
68.05031	0.4
69.07061	1.2
69.69409	0.5
69.69733	0.6
70.06628	0.3
71.04974	0.3
77.41018	0.3
79.05515	2.1
80.05009	1.1
81.07053	1.8
82.06561	0.3
83.04951	0.4
83.08633	0.7
86.02443	0.7
88.03975	1.3
91.05467	0.9
93.07048	4.8
94.06554	0.7
95.08630	1.9
96.08102	0.4
98.98458	1.4
105.07005	0.7
107.08585	2.5
108.08119	4.0
109.08870	0.6
109.10147	0.7
110.09695	0.8
111.08095	0.7
114.05531	0.8
119.08583	0.6
121.10134	1.0
122.09674	5.2
122.10493	0.2
123.04388	0.5
123.10437	0.5
126.05508	0.9
128.07059	0.4
133.10107	1.5
135.11702	3.4
136.11232	2.6
137.13251	0.5
138.04390	0.4
138.05461	1.4
138.09157	0.5
139.03952	1.6
140.07057	0.7
142.08626	1.3
147.31271	0.4
150.12776	2.8
151.13574	3.5
152.07033	0.6
153.01831	0.7
153.07831	0.6
154.08635	1.0
156.06551	0.6
156.10188	0.8
161.13240	0.4
164.14355	7.8
166.08612	2.6
167.09435	0.7
168.10205	2.0
168.11412	0.3
180.10201	3.1
180.13741	0.5
181.11017	1.9
182.11728	0.8
201.46411	0.5
208.13278	2.5
210.14897	100.0
210.18472	9.2
211.15248	2.4
212.16479	4.9
236.16408	0.3
237.18678	0.5
254.17522	46.0
254.21118	5.4
255.17776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59523	0.3
55.05504	1.1
56.05013	0.2
58.06602	1.8
59.04997	2.0
67.05483	0.8
69.03431	0.3
69.07047	0.8
70.06579	0.7
71.42444	0.3
74.06076	0.3
79.05513	1.3
81.07055	2.4
82.06560	0.4
83.04973	0.6
85.02912	0.3
86.06093	2.1
88.07640	0.4
91.05476	0.4
93.07047	2.6
95.08607	3.6
96.08124	0.5
98.98460	2.3
105.07013	0.6
107.08615	1.3
108.08102	2.0
109.08885	0.2
109.10168	0.5
110.09675	1.0
110.46121	0.3
119.08604	0.5
121.10163	0.7
122.09646	2.0
123.05521	0.3
123.10438	0.4
124.11207	0.6
133.10127	0.3
135.10768	0.3
135.11659	1.7
136.11220	3.0
137.13214	0.9
138.09137	3.1
138.12767	0.3
140.10704	0.4
142.12318	0.3
150.12787	2.6
151.13524	0.9
152.10696	0.4
152.14360	1.7
153.11436	0.5
154.12221	0.5
156.13821	0.7
164.14378	0.8
166.12274	1.4
167.13045	0.4
168.13860	0.6
180.13815	4.2
181.12198	0.3
181.14575	1.6
182.15453	0.7
184.03246	0.3
191.36293	0.2
192.17459	1.8
208.16972	1.5
210.15028	3.6
210.18524	100.0
211.18916	2.0
212.20096	1.0
236.16505	0.4
254.17496	3.6
254.21144	83.0
254.61205	0.3
255.21472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35471	5.3
73.02908	6.4
81.68865	5.9
87.96672	7.1
94.93037	9.2
96.82047	6.1
98.97588	9.0
112.89618	100.0
114.89362	10.2
123.05540	79.0
127.29473	6.3
164.93495	10.3
170.95793	11.5
181.96162	30.6
192.23544	6.1
202.84404	6.7
212.31140	5.8
236.95583	8.1
254.97351	21.4
255.02626	40.2
255.06281	64.5
273.04007	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	255.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35069	0.4
62.66963	0.4
64.55714	0.4
69.07073	0.4
73.22530	0.5
78.85217	0.4
79.05486	0.7
81.07039	0.5
89.36292	0.4
98.22652	1.3
98.98467	9.7
100.98875	0.4
107.04960	0.6
120.80568	0.4
135.39066	0.4
138.03130	0.9
153.05409	0.9
178.02556	1.1
181.04950	10.5
183.06570	0.5
193.04961	0.8
195.02881	1.2
195.06387	0.6
209.04457	2.3
237.07387	0.5
255.08391	100.0
256.08746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1227
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
53.03952	0.8
53.24149	0.6
55.01857	2.3
55.05263	1.0
55.05514	12.4
57.03445	0.9
65.03928	1.1
67.05512	5.8
68.99786	1.7
69.07071	9.9
69.10925	4.9
69.91078	0.9
71.01350	2.9
71.04972	1.2
71.08617	0.7
79.05489	3.0
81.07055	6.2
83.04968	2.8
83.08621	10.0
85.06525	1.5
91.05457	2.5
93.07040	5.7
95.04951	2.2
95.08593	2.9
97.02898	2.6
97.06519	2.1
98.98472	10.3
100.98863	0.8
105.07016	2.5
107.04984	2.0
107.08591	2.0
109.02885	2.4
109.06539	1.1
109.10141	1.6
111.04442	24.0
111.08091	14.7
113.02361	1.1
117.07000	2.2
119.08591	2.1
121.06517	1.5
121.10162	1.1
123.04431	20.2
125.02341	2.0
127.03935	2.1
130.66302	0.7
131.08562	3.2
133.10126	1.7
135.04398	1.5
135.08055	2.0
135.11710	1.3
137.05971	1.1
139.03899	100.0
139.07501	2.4
140.04219	0.7
145.06490	1.7
145.10141	2.1
147.04420	0.9
147.08060	4.1
149.06013	3.6
149.09587	1.8
151.03893	7.9
151.07541	1.8
153.05475	1.3
155.03349	1.1
155.08594	2.0
159.04411	2.1
159.07999	0.9
160.05205	1.0
161.06047	1.5
163.03943	2.4
163.07574	1.3
163.11140	1.1
165.05524	1.4
167.07011	4.6
173.05988	3.0
173.09595	5.3
175.07535	11.5
176.08217	0.8
177.05490	5.0
177.09055	1.9
178.06219	1.2
185.07857	0.7
191.07005	1.3
191.10683	6.0
193.08586	8.8
193.12244	2.3
201.09099	14.1
201.16458	1.1
211.13393	0.8
219.10158	55.5
237.11214	48.8
237.14944	3.1
237.18521	1.0
238.11584	0.9
255.12242	4.2
255.15759	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1227
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
55.01862	1.9
55.05508	4.3
55.84216	0.3
57.03435	0.3
57.07055	0.2
65.03930	3.6
67.05158	0.4
67.05502	4.9
68.99784	0.5
69.03425	0.5
69.06708	0.5
69.07063	6.7
71.04979	0.5
77.03918	0.3
79.05494	3.4
81.03419	0.4
81.07046	5.4
83.04984	2.7
83.08599	2.5
84.16562	0.3
85.02905	0.6
85.06525	0.9
91.05470	2.5
93.03397	2.8
93.07037	4.4
95.04962	2.4
95.08592	3.3
97.06510	1.3
98.98454	3.3
103.05446	0.5
105.04517	0.4
105.07011	1.9
107.04942	4.1
107.08585	2.1
109.02873	1.3
109.06516	0.9
111.04436	7.4
111.08080	13.3
117.06998	1.8
119.08603	1.1
121.02863	7.3
121.03508	0.2
121.06507	2.4
121.10142	1.5
123.04421	25.8
123.08077	0.3
124.04781	0.3
125.05995	0.9
127.03901	3.0
129.05481	0.5
129.06998	1.2
130.07742	0.3
131.04903	1.0
131.08543	1.3
133.02841	2.5
133.06410	0.3
133.10141	0.3
135.04391	3.9
135.08055	0.8
135.11681	1.2
137.05960	0.4
139.03889	100.0
140.04280	0.8
141.09088	0.4
145.06461	1.5
145.10112	2.8
147.04378	0.8
147.08017	0.8
149.02330	2.6
149.05968	8.6
149.09607	0.7
151.03885	5.4
153.01836	1.5
153.05428	0.8
155.03346	1.4
155.08548	0.9
157.05009	0.4
159.08083	0.6
159.10124	0.8
163.03879	4.9
163.07571	1.6
163.11174	2.7
165.07106	0.4
173.06001	0.7
173.09605	4.1
175.07581	1.7
177.05484	0.6
177.09140	1.1
183.07993	0.6
191.10652	17.1
195.10155	0.6
201.09105	5.8
201.16383	0.4
209.11711	1.0
210.12274	0.3
219.10144	15.8
219.17448	0.4
230.35703	0.3
237.11195	11.9
255.04710	0.5
255.12260	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	256.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.22831	1.2
55.01875	8.4
57.03434	18.4
58.21457	1.2
58.42666	1.1
59.05001	8.0
61.02924	11.3
62.98977	1.1
69.03427	16.3
70.65306	2.4
71.01347	4.3
71.04993	4.9
73.02917	10.5
75.04472	1.7
81.03417	6.6
83.01338	2.6
85.02903	100.0
87.04465	13.0
89.02394	4.2
91.03955	4.8
95.01311	1.5
97.02894	20.4
98.97581	2.8
99.04437	5.5
101.02388	19.4
101.03018	2.3
103.03951	2.2
109.02874	7.9
111.00810	1.6
113.02383	2.9
115.03936	28.5
116.98608	1.3
117.04012	1.4
119.01913	1.2
119.03367	1.2
124.05892	1.9
127.03909	27.4
129.01842	30.1
133.04961	4.5
143.03416	13.6
145.04956	48.4
157.01323	21.3
161.03122	2.5
161.04440	23.3
163.06020	21.0
171.02892	9.6
189.03929	58.9
203.05496	21.8
207.04985	2.7
211.87848	1.2
221.06529	6.8
222.38031	1.1
224.07669	1.7
239.11153	3.3
269.91867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	10.7
60.05650	6.3
66.98840	0.8
70.06594	41.5
70.15542	1.7
71.95244	1.3
82.99841	0.8
83.00962	4.4
97.07661	10.1
98.06053	1.1
98.97585	100.0
101.00889	2.2
101.02013	3.8
112.03602	7.2
112.08733	1.4
116.05589	1.0
116.98626	42.6
117.99015	0.8
118.04614	1.7
119.01911	1.4
128.05525	1.0
130.04654	1.8
132.06155	1.0
134.99669	8.5
137.05583	1.1
140.06667	1.6
140.98076	0.8
142.08261	5.2
152.05547	1.4
152.06662	2.0
152.88629	0.8
153.05051	0.9
154.08234	2.4
155.06682	6.0
156.05052	1.8
157.10875	2.3
160.09314	2.0
168.06216	2.1
169.09357	12.0
170.06615	5.4
170.07809	1.0
171.09506	1.5
171.10916	24.0
172.09335	5.9
172.10612	0.9
172.94347	4.8
173.07744	10.8
179.06647	3.6
180.05049	3.4
187.05751	1.1
187.10408	4.9
188.07707	1.2
189.11980	14.0
190.95352	3.2
197.07678	92.7
198.06096	7.4
198.07677	2.5
208.96254	0.9
214.95445	2.9
215.08537	69.8
216.07127	3.6
216.08893	3.8
232.96468	5.7
233.10959	10.3
234.10460	0.7
238.10237	1.6
239.09886	57.1
240.10011	2.3
250.97475	1.2
256.96445	9.8
257.10938	33.7
258.11108	0.9
261.02994	1.2
274.97501	55.1
275.97873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1125
Annotation	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
Peak:m/z	Relative Intensity
55.64985	0.6
56.96564	1.5
60.78414	0.6
65.16643	0.6
67.05494	2.3
72.25282	0.5
80.89776	0.6
81.07049	1.5
84.68332	0.6
91.05469	0.7
95.08628	1.0
98.97581	10.0
116.98611	6.8
117.06998	1.1
119.77640	0.6
129.07047	0.6
131.08554	2.3
134.99683	3.0
145.10143	3.3
159.11739	0.9
197.13335	1.0
239.17995	0.9
256.26361	0.9
256.96188	0.9
257.11252	100.0
257.18896	3.5
258.11679	2.3
259.38000	0.7
274.97437	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	258.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	32.8
63.05512	5.9
63.53808	7.8
69.03424	10.1
70.57131	7.6
83.97646	10.2
84.07361	6.8
85.77063	7.8
87.33350	7.6
91.29196	7.4
97.02878	16.8
98.97578	100.0
99.97923	13.3
104.10742	11.0
112.05078	22.7
116.98665	36.6
128.00212	19.4
129.56857	7.2
134.81543	8.5
134.99706	10.6
146.01257	43.0
155.99600	7.6
164.02313	36.7
174.00787	9.1
182.03389	8.6
214.98627	7.3
218.06995	20.9
228.05334	12.4
258.04849	10.0
258.07391	95.8
258.99893	17.9
259.04160	15.2
275.97870	27.1
276.07529	90.9
277.00845	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52504	1.1
56.27570	0.9
70.56567	2.2
72.20606	1.0
81.04530	2.4
81.07043	2.2
84.08137	1.2
91.05481	1.4
95.06078	2.1
97.02879	3.4
98.97583	13.4
106.83972	1.0
111.05540	2.7
112.97899	0.9
114.09162	2.4
116.98630	7.6
125.07106	2.4
134.99651	2.0
143.08160	1.9
146.11372	1.1
236.98552	1.8
241.15508	4.0
258.15277	1.7
258.99741	8.1
259.04242	100.0
259.11551	10.3
259.16367	6.1
260.04794	1.2
273.94412	0.9
276.97864	1.8
277.00800	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.8
67.05494	1.6
68.92803	0.8
70.06596	1.1
70.56213	1.3
70.56532	0.9
72.06031	0.8
79.05492	2.0
80.41873	0.8
81.04532	1.5
81.07047	1.2
84.04508	1.8
84.08132	3.6
85.02917	2.1
95.04958	3.4
95.06069	1.3
95.08589	1.9
97.02894	5.0
98.97580	12.9
100.97182	1.0
101.05966	1.0
111.04402	1.7
111.05550	1.8
112.20100	0.9
114.05550	1.1
114.09162	1.4
116.98614	8.9
125.07096	2.6
129.10233	3.6
130.05003	2.1
134.99629	3.8
137.44763	1.1
149.05908	1.2
177.05447	0.9
179.06908	0.9
181.12836	1.0
186.45705	0.8
195.06500	3.0
205.02692	0.8
205.08575	1.1
236.98640	3.3
241.07065	1.6
241.15446	2.3
259.00229	8.3
259.04236	100.0
259.16476	7.2
260.04630	1.1
277.00793	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	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00893	2.4
53.03932	5.1
53.60330	2.0
55.01871	3.6
57.03434	11.3
60.41959	2.2
64.48784	2.1
65.03918	2.3
67.05505	3.4
69.03429	100.0
69.15658	8.6
69.16064	5.7
71.01324	3.9
71.05000	2.9
73.02902	3.0
79.05508	4.2
80.53034	2.2
81.03420	30.9
83.01337	6.0
83.04977	4.2
85.02905	33.9
87.04477	13.6
91.05494	5.5
93.07061	3.4
95.04967	5.2
97.02266	4.7
97.02892	90.3
97.06531	2.8
97.73325	2.6
98.97598	3.2
99.04459	23.1
103.21511	2.2
107.04970	3.6
109.02903	4.8
109.06504	2.7
111.04446	10.8
113.02390	4.1
115.03934	21.1
119.08579	2.3
123.04415	14.9
127.03948	13.4
133.04968	10.2
135.04402	5.4
137.05942	3.0
139.03918	9.2
143.03372	4.3
145.04964	11.8
147.04491	2.5
149.05974	2.7
151.03905	9.7
161.04471	2.9
165.05460	4.3
169.04958	15.3
177.05429	2.7
181.07610	4.1
193.05032	3.3
213.07652	2.2
214.57042	2.7
229.07112	3.3
241.07179	6.1
259.08084	31.9
259.12244	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	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01871	2.5
55.05510	1.1
57.03437	7.2
59.05000	1.5
61.02926	1.4
67.05511	1.2
69.03432	80.9
69.12866	1.6
69.13277	2.7
70.03801	0.7
71.01355	1.6
71.04995	2.6
71.82597	0.6
73.02924	5.0
78.90375	0.6
79.05480	1.5
81.03417	12.6
81.07076	0.9
83.01367	0.8
83.04972	1.8
84.55071	0.6
85.02909	18.8
85.03423	1.2
86.09702	0.6
87.04474	9.2
91.05474	1.0
92.59780	0.6
93.07040	1.1
93.51807	0.6
95.04949	2.8
97.02894	100.0
98.03228	1.0
98.97591	0.9
99.04448	6.6
107.04958	1.1
109.02879	6.0
111.04424	2.1
115.03933	12.9
121.02862	0.9
121.06455	0.9
123.04418	2.1
125.02383	0.8
127.03910	10.9
133.04990	5.4
135.04408	1.2
139.03885	0.9
145.04987	4.1
149.02321	1.6
151.03905	1.5
153.05446	0.9
163.03857	1.3
165.05458	0.6
169.04904	2.2
173.04430	0.9
184.91389	0.5
185.05968	0.6
193.04980	2.4
211.05968	1.1
213.05447	1.0
223.05913	0.6
227.02156	0.6
229.07109	1.1
241.04944	0.7
241.07080	2.3
259.05814	1.7
259.08054	2.7
259.14969	1.2
274.57205	0.6
277.00888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0815
Annotation	Posoquenin
Peak:m/z	Relative Intensity
53.02594	0.3
53.03941	0.4
54.91521	0.3
57.03431	0.7
61.02922	0.4
69.03432	8.5
70.06586	1.0
71.01360	0.6
71.43021	0.3
81.03427	0.7
84.08139	0.8
85.02911	7.2
97.02893	100.0
98.03218	0.9
99.04433	0.4
103.03973	0.4
105.11076	0.7
109.02859	0.9
111.99803	0.4
116.07043	0.4
121.00914	0.3
127.03918	1.5
138.09094	0.3
139.03947	0.6
145.04951	0.7
184.07883	0.3
213.06786	0.4
259.13989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02594	0.3
53.03941	0.4
54.91521	0.3
57.03431	0.7
61.02922	0.4
69.03432	8.5
70.06586	1.0
71.01360	0.6
71.43021	0.3
81.03427	0.7
84.08139	0.8
85.02911	7.2
97.02893	100.0
98.03218	0.9
99.04433	0.4
103.03973	0.4
105.11076	0.7
109.02859	0.9
111.99803	0.4
116.07043	0.4
121.00914	0.3
127.03918	1.5
138.09094	0.3
139.03947	0.6
145.04951	0.7
184.07883	0.3
213.06786	0.4
259.13989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.10677	0.9
56.96560	1.3
79.05502	1.4
81.07058	2.1
83.04976	0.8
83.06116	0.9
85.02892	1.1
93.07034	0.9
95.04971	1.1
97.02889	2.5
97.06499	1.2
98.97578	10.5
100.41470	0.9
109.06561	1.0
111.04429	1.8
111.05581	3.9
116.98611	6.6
119.08561	1.1
125.06007	0.9
125.07107	2.5
134.99634	2.7
135.08040	1.1
159.08049	1.8
167.03386	4.5
168.21164	0.8
177.09138	1.5
181.08582	1.8
205.08649	1.9
209.12787	1.7
223.09662	2.1
231.06479	1.3
236.98611	3.5
241.15483	3.6
258.99655	4.9
259.11530	100.0
270.17487	0.9
276.97992	0.9
277.00644	4.6
283.17471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1177
Annotation	Gardenate A
Peak:m/z	Relative Intensity
55.01856	1.3
55.05499	3.4
56.96561	3.0
57.03427	1.5
67.05501	2.8
68.99780	0.7
69.03425	20.5
69.07054	2.7
69.64165	1.1
69.64553	1.1
71.04976	1.3
78.07188	0.5
78.09090	0.6
79.05489	8.1
81.07057	7.1
82.49164	0.6
83.01324	1.1
83.04964	1.9
85.02918	0.7
91.05476	12.4
93.03405	0.9
93.07037	11.9
95.04965	3.2
96.08100	3.1
97.02890	3.3
97.06513	1.5
98.22754	1.3
98.97556	1.0
100.07599	3.6
101.06042	0.8
103.05473	0.8
105.07030	5.7
107.04962	3.3
107.08586	4.3
109.06523	3.8
111.04455	4.1
111.08096	0.7
113.99124	0.6
114.09164	46.9
115.07497	1.1
116.06165	0.8
116.98575	0.9
117.00269	0.6
117.07025	1.7
120.75320	0.5
121.02831	1.0
121.06491	17.9
121.07328	1.2
121.10143	6.6
123.04420	2.0
125.05979	12.4
127.07521	0.9
128.07080	3.6
129.07025	1.4
131.08562	22.3
132.10223	0.9
133.06459	1.9
133.10132	5.1
135.04463	1.3
135.08026	2.3
137.05983	6.3
137.09613	1.3
139.03931	0.8
139.07536	1.1
141.06987	1.7
144.05675	0.8
145.06390	0.6
147.08003	0.7
149.02335	4.9
149.05890	0.6
149.09605	31.6
151.07567	1.1
151.11121	1.5
153.05466	4.7
155.07010	6.5
159.08041	20.0
161.05966	9.2
161.09586	3.4
163.07509	2.5
167.10718	3.5
168.07310	0.7
177.09094	100.0
178.09418	1.2
179.06995	4.9
179.10652	1.3
181.05057	0.5
181.63147	0.6
185.06012	0.7
187.07591	0.8
195.03218	0.8
195.10147	54.7
199.05969	1.7
205.08574	17.4
213.04294	2.0
213.11212	12.9
214.14346	3.3
215.05901	0.9
223.09653	12.5
224.12943	1.1
231.06671	4.1
233.99850	0.6
241.10681	24.3
242.13892	4.3
259.05743	3.5
259.11874	3.7
259.16470	2.9
280.95667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35233	0.6
55.01873	1.4
55.05487	1.8
56.96563	3.2
65.09749	0.7
67.05504	2.6
68.99803	0.9
69.03424	16.4
69.07062	4.1
71.04979	1.3
79.05492	8.5
81.07053	7.5
83.01346	1.5
83.04983	1.5
84.71423	0.8
85.02919	0.9
87.08103	2.4
91.05476	12.9
93.07050	11.9
95.04963	2.7
96.08115	1.9
97.02888	10.7
97.06527	1.7
98.97608	1.7
100.07589	2.3
103.05503	0.9
105.07029	6.7
107.04960	3.6
107.08598	4.0
109.02927	1.2
109.06511	4.7
111.04437	3.3
113.06022	1.1
114.09169	39.7
117.07007	1.7
121.02906	0.8
121.06506	19.0
121.10137	5.9
121.69729	0.7
123.04417	1.6
123.08025	1.0
125.05988	10.9
127.03886	0.9
128.07083	2.9
129.05490	0.8
129.07004	1.7
131.08571	22.5
133.06487	2.2
133.10132	5.0
135.04419	1.4
135.08061	2.9
137.05984	6.8
139.03879	1.4
139.07533	1.3
141.06999	1.4
144.05643	1.5
145.06418	1.0
147.08090	0.9
149.02359	3.1
149.05994	1.1
149.09619	32.0
149.10828	1.6
151.07593	1.9
151.11198	1.5
153.05434	4.2
155.07034	5.4
159.08051	19.3
161.05978	8.6
161.09602	2.5
163.07550	3.0
167.07033	1.3
167.10692	4.4
177.09103	100.0
178.09462	1.3
179.07036	4.7
179.10663	2.0
181.08588	1.3
185.06110	1.0
187.07616	0.8
195.03287	0.8
195.10156	51.6
196.10458	1.0
199.06012	2.6
199.09804	0.8
205.08597	14.5
213.04305	2.3
213.11218	12.1
214.14339	3.3
223.09616	17.2
231.06703	3.3
241.10690	24.6
241.15645	1.0
242.13876	6.0
258.99817	1.2
259.05859	6.0
259.09311	1.1
259.11890	4.6
259.16602	3.0
277.00772	1.2
277.06085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1178
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
53.03957	1.0
55.01870	8.4
55.05513	5.3
56.05042	9.3
57.03443	2.0
58.99575	3.4
65.03941	3.1
65.24085	0.9
65.98620	0.8
67.05503	11.0
68.05015	1.3
68.99780	1.2
69.03425	2.1
69.07067	1.7
70.02945	1.0
70.36417	1.0
70.36726	1.3
70.99557	1.0
71.01364	0.8
71.05000	2.5
76.04008	1.3
79.05495	16.5
80.05003	1.6
81.03413	5.3
81.07060	6.3
83.04980	9.1
84.04498	1.7
84.08109	0.9
85.01126	4.4
85.02892	2.2
86.00639	3.6
86.99039	1.4
87.02696	1.8
88.02206	1.2
91.05475	13.0
93.07050	14.1
94.06553	1.1
95.04961	7.0
95.08624	4.0
96.08138	2.3
97.01119	1.3
97.02861	1.3
97.06508	5.2
98.09702	15.1
98.97572	1.0
99.04453	3.1
101.02364	0.9
102.05539	3.1
105.07034	11.7
107.04955	9.3
107.08593	12.9
109.02913	1.9
109.06514	2.9
109.10167	1.2
110.09672	3.9
111.04450	15.7
112.03970	1.9
113.04224	8.6
115.05470	2.4
116.01675	6.7
116.98637	1.2
117.07052	4.7
119.08562	1.8
121.02876	2.0
121.06480	4.0
121.10155	9.1
122.09682	1.6
123.04424	14.2
123.08070	4.0
125.05981	1.4
125.09617	0.9
127.03921	4.2
129.05472	1.6
129.06987	2.3
130.05003	2.1
130.06816	1.6
131.04924	1.2
131.08568	26.4
133.06468	4.8
133.10144	4.8
135.04404	3.3
135.08047	19.3
137.05995	2.3
139.03902	31.5
139.04964	1.8
139.07462	1.2
141.06982	3.1
144.05684	1.9
145.06367	2.6
148.05113	0.9
149.05994	3.6
149.09627	25.8
151.07585	5.1
153.05464	0.9
153.09143	1.7
155.03377	2.3
156.08426	14.5
156.10194	14.5
157.04964	1.3
159.08057	20.2
161.05983	3.7
161.09634	4.1
162.02177	1.3
162.06747	1.1
163.03925	2.0
163.07538	7.8
167.10680	5.0
169.08673	1.3
172.89362	0.8
177.09108	100.0
178.09439	2.2
179.10674	2.7
181.08554	0.9
187.07527	6.9
189.03275	1.3
195.10167	57.7
203.07053	3.8
205.08606	42.1
213.11250	5.3
216.06894	4.3
223.06114	2.0
223.09637	33.3
231.06506	8.6
241.10704	41.2
242.11058	0.9
259.00104	1.0
259.06000	9.5
259.11133	32.9
260.11761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1178
Annotation	Gardenate A
Peak:m/z	Relative Intensity
55.01867	7.7
55.05511	12.1
55.13875	1.6
57.03440	1.7
64.17278	1.6
67.05507	10.2
68.99803	2.1
69.03436	15.7
69.07060	4.4
70.78835	2.8
71.01356	22.4
71.04993	6.4
71.08602	2.4
79.05502	22.6
81.03442	10.9
81.03878	2.1
81.07059	19.7
83.01342	17.1
83.04986	9.1
83.08607	4.0
85.02923	3.4
91.05480	14.8
93.07047	23.4
95.04965	8.7
95.08612	8.0
97.02895	59.1
97.06530	3.3
97.10155	5.7
98.97562	2.4
99.04447	2.0
101.02374	1.6
105.07047	10.7
107.04975	8.5
107.08590	20.1
109.02875	4.0
109.06505	5.6
111.04433	8.3
111.08074	4.3
113.02369	22.8
115.05482	1.8
117.07024	9.0
117.07732	1.4
119.08572	3.8
121.06513	4.3
121.10137	11.2
123.04430	5.2
123.08048	6.8
125.02352	64.9
125.05969	3.4
125.09618	10.2
127.03919	4.4
129.06984	2.1
131.08553	22.3
133.06480	3.7
133.10115	4.0
135.04395	2.9
135.08047	11.3
137.05989	3.3
139.03897	8.3
145.06516	3.7
149.02339	2.2
149.09622	29.5
151.07559	5.8
153.05507	1.6
153.09099	43.2
155.03331	2.0
157.04961	1.8
159.08032	9.9
161.05988	4.9
163.03871	1.4
163.07555	2.3
167.10686	5.0
168.13791	2.2
175.07547	2.7
177.09116	35.7
178.09372	1.4
179.07028	7.4
179.10672	5.1
181.08598	5.0
187.07527	7.9
195.10178	22.6
203.07069	3.0
205.08609	29.3
206.08951	1.9
213.05473	2.5
213.11227	7.5
221.91338	1.6
223.09642	70.0
241.10709	100.0
242.11147	3.1
242.13760	1.9
259.05984	6.0
259.11346	1.7
259.17093	1.9
260.65924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
56.96562	0.2
69.71159	0.2
82.99413	0.2
82.99898	0.4
83.33212	0.1
87.08162	0.1
98.22765	0.1
98.97573	1.8
101.00880	3.5
113.36470	0.1
116.98622	1.1
119.01919	6.0
120.01997	0.2
122.97872	0.1
134.99741	0.5
137.02946	0.8
140.98833	0.6
140.99890	0.1
153.00922	0.1
158.99887	1.9
165.98351	0.1
165.99751	0.2
175.03072	0.2
177.00946	11.4
178.01074	0.7
182.99843	0.8
193.04041	0.1
195.02049	0.2
199.03001	0.3
201.00941	2.9
202.01073	0.2
209.98538	0.1
217.04085	2.5
218.04176	0.1
219.01999	17.6
220.02087	1.1
221.02155	0.1
223.99942	0.1
225.00841	2.4
226.01062	0.1
227.99577	0.1
234.00723	0.1
237.98723	0.5
238.98273	0.1
242.03632	0.1
243.01987	13.3
244.02097	0.9
261.03046	100.0
262.03177	6.1
263.03430	0.5
266.03568	0.2
275.04501	0.1
279.00638	1.1
284.04642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98652	0.3
55.49244	0.2
56.35281	0.2
56.96566	4.3
59.46532	0.2
60.95838	0.5
69.69379	0.7
70.06598	1.0
71.95251	0.3
72.08163	0.2
82.99871	0.3
84.08131	0.7
86.06050	0.2
86.09720	0.6
88.01643	0.2
88.61593	0.2
96.13570	0.2
97.07634	0.2
98.97580	29.9
99.97933	0.7
100.97188	1.2
100.97990	0.6
101.00880	2.9
102.96859	2.0
110.97589	0.3
112.09737	0.2
112.31004	0.2
116.07079	0.2
116.98616	17.2
117.98991	0.3
118.98200	0.7
118.99036	0.6
119.01915	6.2
120.01941	0.2
120.97927	1.0
122.97832	0.2
128.98589	0.4
129.30295	0.2
130.08618	0.2
131.00142	0.2
134.99658	6.4
136.99200	0.4
137.02956	0.8
138.98921	0.5
139.12273	0.2
140.98729	0.7
143.00175	0.5
153.00751	0.9
157.01740	0.4
158.99823	2.0
161.01262	0.2
165.99608	0.3
169.01138	0.3
170.99599	0.4
171.81863	0.2
172.94336	0.4
175.02910	0.9
175.11909	0.5
177.00926	12.0
178.01016	0.4
179.00557	0.2
179.07056	0.2
182.99803	0.4
184.64815	0.2
189.00729	0.4
190.95447	0.3
192.03279	0.2
193.04115	0.2
194.94702	0.3
201.00864	3.1
211.02196	0.2
217.04056	2.9
219.01985	20.3
220.02148	1.0
224.00024	0.3
225.00819	2.5
229.03278	1.0
236.96031	0.2
237.02876	0.7
237.98692	0.8
238.03816	0.3
238.98358	0.3
242.98602	0.8
243.01990	12.6
243.04680	0.7
244.02173	0.5
245.41837	0.2
248.13127	0.2
256.04919	0.5
258.99759	0.3
260.17120	0.3
260.99734	13.8
261.03082	100.0
261.05783	14.3
261.09232	2.7
262.00070	0.3
262.03192	5.5
263.03180	0.4
275.04666	0.3
277.00882	0.4
278.96915	3.2
279.00659	13.7
280.00815	0.2
284.01904	0.3
284.04529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20651	0.6
54.68600	0.5
56.96564	1.9
70.79753	0.8
70.80130	0.7
77.90321	0.6
84.08168	2.9
86.09696	3.5
98.97578	11.6
99.04476	1.2
101.00852	3.1
105.07075	1.0
107.42444	0.5
109.02915	0.9
115.05430	0.6
116.98623	6.4
119.01942	4.1
125.02319	0.6
133.03526	0.8
133.06462	1.7
137.05919	0.7
148.06050	0.9
158.99887	2.4
161.06013	1.1
163.03920	1.6
169.01097	2.6
177.00916	7.5
178.01012	0.6
179.06973	3.3
182.99829	0.8
201.00926	1.6
207.06532	1.6
211.02245	0.9
215.58180	0.6
217.04082	1.1
219.01982	13.8
220.02113	0.9
225.00945	1.7
225.07732	0.8
229.03189	15.2
243.02049	10.4
243.04774	3.8
260.99838	4.4
261.03082	66.4
261.05847	100.0
261.09409	27.3
262.03232	5.2
262.06143	1.9
279.00610	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	261.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.2
57.03445	1.3
67.05503	2.7
67.59947	1.0
68.99806	1.7
69.60691	1.3
70.60311	1.7
71.01350	4.0
79.05502	9.5
81.03436	2.1
81.07062	10.2
83.01340	3.8
84.04500	5.2
86.09705	5.6
91.05472	6.2
93.03395	2.7
93.07051	6.8
95.04971	4.0
95.08625	3.6
97.06586	1.6
98.97594	2.1
99.00846	1.8
99.08116	1.3
103.05470	2.2
105.07029	25.4
107.04978	5.0
107.08573	3.2
109.02865	3.3
109.06541	6.1
113.29107	1.2
115.05470	12.2
117.07014	10.0
119.04935	5.5
121.06490	1.2
123.04456	2.7
123.08057	6.3
125.05990	8.8
132.10193	2.8
133.06499	52.8
135.04378	1.6
135.08069	4.7
137.02437	1.3
137.05998	9.8
139.07555	2.5
143.04947	4.3
145.06490	12.7
147.04390	11.5
151.07536	27.1
155.03439	1.5
155.07045	23.0
161.05978	36.6
163.03908	48.6
163.07562	11.0
165.05490	18.1
179.07037	100.0
180.07440	1.4
181.05003	1.7
189.05455	8.5
197.08073	16.2
197.12845	2.5
207.06531	48.0
215.09154	4.1
225.07582	17.5
243.08640	15.8
243.13420	2.9
261.05771	1.7
261.09647	4.5
261.12671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0971
Annotation	Latifonin
Peak:m/z	Relative Intensity
55.01872	6.8
61.20427	1.2
65.86476	1.2
67.05494	3.7
68.99774	1.7
70.94403	1.7
71.01357	4.9
79.05504	10.7
81.03431	1.7
81.07056	12.2
83.01327	4.1
85.02892	2.7
87.61383	1.2
91.05476	9.3
92.09189	1.3
93.03404	2.3
93.07049	6.9
95.04962	3.7
95.08590	4.4
99.00787	2.1
99.08099	2.3
103.05482	1.8
105.07027	31.4
107.04940	5.6
107.08609	1.4
109.02853	1.9
109.06501	6.4
115.05460	14.0
117.07026	9.5
118.94530	1.4
119.04973	6.1
121.06527	2.5
123.04459	3.2
123.08076	7.9
125.05994	12.4
127.03904	1.8
133.06493	57.3
135.04439	2.4
135.08061	7.3
137.05994	11.7
139.03867	1.5
139.07530	2.4
143.04942	5.7
145.06470	11.9
147.04391	13.0
151.07555	26.8
155.03493	2.6
155.07037	26.2
161.05983	40.5
163.03914	50.5
163.07561	16.3
164.04366	1.3
165.05466	18.1
167.06955	1.1
168.37947	1.1
179.07034	100.0
179.85558	1.1
180.07375	1.8
189.05411	6.7
197.08080	15.5
207.06531	51.6
215.09155	3.6
225.07581	21.0
243.08658	22.2
261.09695	3.5
261.12271	1.3
284.23242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01868	6.5
55.05499	7.0
57.03436	9.1
59.04992	4.1
61.02931	10.9
65.03925	1.5
66.68038	1.7
67.05497	9.3
67.36600	1.2
68.99790	1.5
69.03425	57.1
69.07069	23.0
69.78901	3.6
69.79217	1.2
71.01357	5.5
71.04987	8.3
71.08637	2.5
73.02919	7.4
79.05486	16.4
81.03418	23.6
81.07053	100.0
82.07391	1.5
83.01316	1.7
83.04971	10.3
83.08594	1.8
85.02901	58.4
85.03416	3.0
85.74410	1.3
86.09723	1.7
87.04475	3.3
88.05167	1.4
91.03948	5.2
91.05479	18.6
93.07038	27.1
95.01362	3.0
95.04972	11.6
95.08602	16.5
97.02885	33.2
97.06535	13.7
98.22773	1.4
98.97563	2.3
99.04441	16.8
99.08090	26.8
101.02405	1.6
103.03943	7.8
103.05450	1.8
105.07024	15.1
107.04955	6.8
107.08578	15.1
109.02874	9.3
109.06521	26.0
109.10164	4.4
111.04449	4.6
111.08083	9.8
115.03948	3.5
115.05450	2.3
116.30350	1.3
117.07011	8.9
119.04923	2.0
119.08573	11.0
120.08092	5.4
121.06513	7.5
123.04398	7.6
123.08068	27.6
125.05993	2.2
125.09637	1.9
127.03896	11.5
127.07541	20.9
128.06221	3.6
129.07054	2.1
129.09090	1.6
131.08542	6.5
133.06482	5.0
133.10156	7.0
134.35811	1.4
135.08058	21.8
137.02344	1.7
137.09631	4.7
139.03920	2.8
139.07556	5.3
141.05467	1.8
141.09058	4.4
143.08562	6.1
145.04962	18.1
146.07181	1.8
147.08026	15.3
149.09622	3.7
151.03839	2.1
153.09105	18.8
159.06631	1.6
159.08028	2.7
161.09639	13.1
163.07523	2.2
165.09111	19.3
167.07143	1.6
169.04799	1.5
171.08032	1.9
173.83499	1.3
177.09097	15.8
179.10683	6.9
181.53133	1.5
189.09105	10.8
195.10182	1.8
197.11768	3.0
207.10161	25.9
225.11209	31.2
231.56740	1.4
243.12236	20.0
261.04004	5.5
261.07623	2.0
261.10751	2.3
261.13266	13.0
281.87567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00361	1.5
53.03939	4.2
55.01876	8.8
55.05494	4.4
57.03438	8.7
59.04991	4.8
59.84156	1.6
61.02928	13.6
67.05508	8.7
69.03068	3.1
69.03429	57.6
69.03804	2.8
69.07066	20.0
69.24593	3.2
69.25002	5.5
71.01347	6.1
71.04985	4.8
71.08623	2.3
73.02905	6.8
77.04014	1.3
79.05499	16.3
81.03411	18.9
81.07055	100.0
83.04986	8.5
83.08609	2.8
85.02405	3.3
85.02904	59.7
87.04458	3.9
89.69059	1.5
91.03951	6.9
91.05486	14.0
93.07043	26.2
95.01324	4.3
95.04954	10.5
95.08598	16.1
97.02264	2.0
97.02888	31.2
97.06524	12.0
98.97572	2.8
99.04447	15.2
99.08100	21.9
103.03912	8.5
105.07048	12.2
107.04955	5.2
107.08591	14.4
109.02859	6.6
109.06520	27.3
109.10152	2.4
111.04413	4.6
111.08099	9.8
115.03906	4.7
115.05449	2.1
115.07572	1.9
117.07005	6.1
119.04914	2.0
119.08569	14.1
120.08083	4.3
121.06499	5.8
123.04418	4.4
123.08064	24.4
125.09644	1.6
127.03928	14.3
127.07544	25.9
128.06216	2.8
128.07846	1.6
129.06996	1.9
131.08553	6.6
133.06494	5.3
133.09134	1.5
133.10081	7.9
135.08038	19.0
137.05908	1.9
137.09599	6.5
139.03877	2.4
139.07533	4.1
141.09082	5.7
143.08556	5.4
145.04924	14.6
146.07289	2.4
147.08043	14.1
149.09579	3.8
151.03914	2.3
153.09116	16.7
159.08040	3.8
161.09647	11.8
165.09106	14.9
169.05003	1.7
171.07977	2.0
177.09114	12.0
179.10675	5.0
189.09137	11.2
195.10048	3.2
197.11621	1.9
207.10149	29.2
225.11214	31.3
230.38899	1.6
243.12260	21.1
261.03809	4.2
261.10822	3.3
261.13165	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01876	0.9
55.05510	9.6
57.03434	1.0
57.06823	0.5
57.07071	2.8
58.53104	0.4
59.04981	0.5
65.03946	1.3
67.05507	30.2
68.05874	0.5
69.07071	9.4
69.23034	1.5
69.23458	1.5
71.05002	1.8
71.08622	0.9
76.75477	0.4
77.03934	1.6
79.05495	46.3
81.07058	37.3
81.07553	0.8
83.04986	0.6
83.08616	5.8
85.06532	2.3
91.05480	23.6
91.06060	1.1
93.07047	67.4
94.07362	0.7
95.04970	3.9
95.08604	26.6
97.06519	2.3
97.10161	2.4
99.08102	3.0
105.04504	1.2
105.07029	14.0
107.08596	40.2
109.06548	1.5
109.10159	10.6
111.08107	2.6
116.54659	0.4
117.07022	5.9
119.08582	12.2
120.53114	0.5
121.10146	34.5
122.10509	0.7
123.08088	1.1
123.11711	3.8
124.53539	0.5
131.08575	10.5
133.10132	9.4
135.08105	0.9
135.11696	28.8
136.12038	0.7
137.09621	1.0
137.13292	1.2
139.11130	0.5
145.10121	10.3
147.11691	10.3
149.09663	0.8
149.13258	24.2
150.13622	0.7
151.11253	0.6
153.12755	0.6
159.11696	8.9
161.13272	9.6
163.11139	0.6
163.14815	13.6
163.16183	0.7
165.12778	0.6
173.13271	7.6
175.14845	3.3
177.16362	3.8
179.14297	1.0
182.92029	0.5
187.14812	5.9
189.16415	0.9
191.14333	0.6
193.15793	0.6
201.16423	2.1
205.15926	0.6
211.66974	0.5
215.17947	1.2
233.22600	1.0
243.21094	22.1
261.22137	100.0
262.22476	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02382	0.5
53.03957	0.9
55.01865	0.5
55.05254	0.8
55.05510	10.6
55.05783	0.7
57.03437	0.8
57.07082	3.0
65.03948	1.2
67.05500	32.7
69.07062	10.1
69.25758	1.7
69.26170	0.7
69.43592	0.4
71.04987	1.3
71.08626	1.2
77.03915	1.9
79.05488	47.1
80.05836	0.5
81.07053	37.9
82.07411	0.4
83.04966	0.7
83.08608	5.9
85.06535	2.5
91.05476	21.8
92.05786	0.4
92.24969	0.4
93.07040	59.2
94.07373	0.7
95.04955	3.8
95.08601	27.4
96.08971	0.4
97.06516	2.4
97.10146	2.3
99.08073	2.4
105.04519	1.7
105.07023	14.8
107.08588	40.2
109.06506	1.2
109.10153	11.5
111.08080	2.3
111.11678	0.5
113.09618	1.0
117.07014	5.4
119.06077	0.7
119.08570	11.5
121.10135	34.8
122.10489	0.6
123.08060	1.0
123.11695	4.2
125.09669	0.9
129.07033	1.0
131.08562	10.7
133.10118	9.8
135.08150	0.6
135.11682	28.5
137.09616	1.3
137.13231	0.9
139.11166	1.0
143.08578	0.5
145.10117	9.7
147.11687	9.3
149.09618	0.8
149.13249	21.7
151.11154	0.8
151.14819	0.6
153.12801	0.7
157.10136	0.5
159.11681	8.2
161.13245	8.0
163.11220	0.4
163.14807	13.6
165.12842	0.6
173.13242	8.4
175.14801	2.6
177.12790	0.4
177.16370	3.3
179.14331	1.2
187.14828	5.1
189.16431	0.8
191.14246	0.4
201.16371	2.6
203.17885	0.5
205.15842	0.7
215.17961	1.0
217.19571	0.5
219.17473	1.0
233.22592	1.4
237.64369	0.4
243.21069	21.1
244.21542	0.5
261.22113	100.0
262.22446	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02359	0.5
53.03937	1.2
55.05257	0.9
55.05508	9.9
57.07078	3.2
64.10833	0.5
65.03940	1.0
67.05505	30.1
69.07062	8.4
69.74748	0.5
69.75069	1.4
70.83935	0.5
71.04990	1.8
71.08626	1.0
77.03929	0.8
79.05492	44.3
80.05808	0.7
81.07057	34.6
83.04964	0.7
83.08624	4.6
85.06521	2.1
91.05476	19.8
93.07044	57.5
93.26182	0.5
94.07362	0.6
95.04968	4.1
95.08604	25.7
97.06520	2.6
97.10145	1.4
98.23418	0.6
99.08083	2.1
105.04506	2.3
105.07026	14.2
107.08593	36.9
109.06512	1.5
109.10150	10.5
111.08086	2.0
113.09703	1.0
117.07024	4.4
119.06084	0.7
119.08576	10.8
121.10142	34.4
122.10508	0.6
123.08089	1.2
123.11663	3.5
125.09592	0.7
131.08563	10.8
133.09186	0.8
133.10130	10.9
135.11688	25.9
137.09605	1.2
137.13257	1.3
145.10117	11.2
147.11690	8.3
149.09610	0.8
149.13248	18.8
149.88710	0.5
151.11121	0.7
153.12862	0.5
159.11691	8.1
161.13239	7.4
163.14815	13.2
165.12773	1.1
166.89503	0.6
173.13257	7.7
175.14833	3.1
177.16278	2.6
179.14252	1.3
187.14815	5.0
201.16383	2.3
203.17975	0.7
205.15891	0.7
205.82831	0.5
208.08179	0.5
215.17912	1.2
233.22690	0.8
243.21080	21.2
244.21509	0.7
261.22131	100.0
262.22559	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
51.63331	0.4
53.03937	1.4
54.55519	0.5
55.01878	0.7
55.05506	11.8
57.03434	1.3
57.07082	3.0
65.03944	1.1
67.05505	33.5
68.05832	0.6
69.07065	10.4
71.04987	2.2
71.08650	1.1
77.03924	1.0
79.05491	48.7
81.07056	37.1
81.07553	0.5
83.05003	0.9
83.08623	6.0
85.06542	2.4
88.20851	0.4
91.05478	23.3
93.07042	66.1
95.04966	4.6
95.08602	26.9
97.06528	2.8
97.10171	2.2
99.08092	2.2
104.12272	0.5
105.04518	2.0
105.07026	14.5
107.08593	40.2
108.08931	1.0
109.06518	2.0
109.10157	12.1
111.08065	2.0
113.09640	1.1
117.07016	4.8
119.06065	1.0
119.08575	12.0
121.10143	36.7
121.14571	0.5
122.10456	0.5
123.08051	0.9
123.11678	3.2
125.09622	0.5
131.08563	11.7
133.10132	9.0
135.11691	28.9
137.09589	1.2
137.13243	1.0
139.11128	0.5
140.10651	0.5
145.10127	10.9
147.11674	8.8
149.09669	0.6
149.13248	22.6
151.11197	1.0
159.11681	9.8
161.13254	8.3
163.11115	1.2
163.14818	14.5
165.12833	0.6
173.13251	7.8
175.14819	3.0
175.48154	0.5
176.03181	0.5
177.12796	0.7
177.16336	3.5
179.14362	1.7
187.14798	5.1
201.16364	2.7
205.15837	1.1
215.17923	1.0
219.17360	0.9
233.22633	1.2
243.21085	21.4
261.22125	100.0
262.22498	2.6
262.25046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91856	1.1
55.01868	7.8
57.89381	1.2
60.04528	1.6
66.99642	1.1
67.05485	2.1
68.99782	2.4
69.07038	1.6
69.46217	5.4
71.01347	3.0
71.04971	5.8
77.03927	1.6
79.05496	8.1
81.03416	23.7
81.07022	1.8
83.04954	1.2
85.02902	10.7
86.91171	1.2
91.05473	13.0
93.07051	9.9
93.97928	1.0
95.01325	3.5
95.04964	8.8
97.02895	3.0
97.06538	8.7
103.05469	12.3
105.03458	1.3
105.07037	12.1
107.04958	1.6
107.08597	2.4
109.06475	1.9
113.05989	5.6
115.05454	3.3
117.07030	12.6
118.04145	4.6
119.04948	13.1
121.06519	14.5
131.04898	5.4
135.04443	1.4
135.08040	9.6
137.05971	1.7
139.07542	2.5
141.05449	3.0
142.56549	1.1
143.04874	2.8
145.06464	1.8
145.25182	1.2
146.03644	6.7
147.04408	20.7
149.05974	10.8
150.03111	4.4
152.01047	6.7
153.05505	6.1
153.09119	2.5
157.02826	4.2
159.04410	3.8
161.05991	5.8
163.03882	2.8
163.07532	22.9
164.04669	3.5
165.05487	2.8
167.07039	65.9
171.04463	2.4
174.03137	10.5
175.03928	19.3
176.04718	2.0
178.02614	6.1
179.07022	2.9
180.00525	16.1
181.08582	29.2
185.02357	1.7
187.03896	1.7
188.07024	1.2
189.05469	7.5
191.03391	2.9
192.04166	9.3
193.04945	4.5
195.02895	64.8
199.03880	3.2
199.09642	4.8
202.02608	16.0
203.03418	3.1
204.04280	1.7
205.01421	1.9
205.04890	1.4
207.06534	9.4
209.08072	41.2
217.04965	15.3
219.02956	1.6
219.06467	3.7
220.03685	7.5
221.04501	1.9
227.03401	5.8
227.09137	100.0
228.09457	2.6
230.02092	12.0
235.06047	13.9
245.04456	36.8
248.03143	2.3
262.16351	1.6
263.05518	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01865	2.6
62.08926	0.7
63.40171	0.7
64.79678	1.0
67.05492	2.5
71.01356	1.3
71.04990	7.0
71.44849	0.9
79.05492	8.2
81.03414	23.4
81.07047	2.1
85.02908	10.2
87.04462	1.8
91.05473	9.4
93.07039	11.9
95.01322	1.1
95.04958	7.0
97.02890	2.5
97.06515	9.8
103.05468	9.0
105.07023	11.7
107.04943	2.0
107.08595	3.7
109.06516	3.4
113.05994	4.4
117.07019	11.6
119.04898	1.1
119.08555	1.3
121.06505	15.2
123.04423	0.8
131.04913	2.3
135.08043	9.9
137.05975	0.8
139.07576	3.7
141.05457	2.9
145.06476	2.1
149.05972	9.3
153.09154	1.7
163.07539	22.2
165.54210	0.7
167.07030	68.9
167.24341	0.7
168.07295	0.9
181.08591	27.8
191.07103	0.9
199.09708	5.7
209.08084	38.1
216.07397	1.1
217.05054	0.9
220.03583	1.7
220.32591	0.7
227.09132	100.0
228.09494	1.7
248.03168	7.8
262.12894	1.2
263.05521	20.8
263.08499	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35232	0.3
53.43594	0.3
53.86477	0.2
55.05518	0.2
57.03440	1.3
58.06610	0.8
59.05002	9.2
59.07384	0.9
60.04546	0.3
60.07869	0.5
60.08165	8.0
65.55263	0.3
71.04966	0.4
72.93821	0.3
79.64436	0.2
81.07089	0.3
82.79582	0.3
83.04976	0.5
84.08148	0.6
85.02904	100.0
86.03231	0.3
87.91239	0.2
89.94054	0.3
90.52570	0.3
91.05448	0.3
98.97565	0.6
100.04787	0.4
101.00888	0.9
103.03937	0.3
113.00854	0.4
116.98654	0.4
119.01913	1.4
129.07846	0.3
131.01855	0.5
133.92082	0.3
134.06805	0.4
134.09698	0.5
140.10728	0.6
141.27892	0.3
143.01904	1.7
144.10217	3.0
145.04955	12.4
149.96114	0.5
155.01910	0.3
161.02980	4.4
162.06277	0.3
173.00627	0.3
173.02934	1.2
178.01080	0.5
180.07376	0.5
185.08047	2.2
186.11301	0.9
191.04016	0.8
195.02863	0.8
196.03526	0.3
203.04015	1.2
203.09189	0.4
204.12396	0.6
208.06819	0.6
218.04155	0.4
219.96565	0.4
220.02164	0.8
221.01239	0.2
244.02144	0.9
244.11821	0.4
245.02020	0.4
245.04369	0.4
262.03232	4.6
262.06171	1.6
262.16492	56.7
263.03253	1.8
263.05756	1.8
263.13989	0.3
263.16788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05505	0.6
57.03428	0.2
58.06583	0.2
62.22635	0.2
64.80915	0.2
68.05022	2.4
68.69183	0.2
69.86487	0.5
70.06580	0.4
71.04967	0.2
72.08149	0.3
79.05486	0.3
80.05022	0.2
81.07048	0.5
82.06579	0.4
84.04490	0.4
84.08180	0.2
85.02902	0.6
86.06065	11.1
86.09735	0.2
93.07047	0.2
95.04948	0.2
98.06046	0.2
98.09669	0.2
100.07610	0.5
103.05446	0.2
104.05756	0.2
104.99267	0.4
105.07010	0.2
105.92445	0.2
106.07354	0.2
110.03274	0.2
112.07620	0.3
115.05445	0.2
116.05849	0.2
116.07094	0.4
116.98608	0.3
118.04160	0.2
119.04949	0.8
122.09659	2.9
130.05023	0.3
131.04927	0.5
132.05244	0.7
134.06850	0.2
140.10699	10.3
144.06508	0.8
146.03574	0.2
147.04399	1.0
150.03069	0.2
159.04417	0.5
160.04752	0.7
161.02936	0.2
161.05949	0.3
162.06288	0.3
163.03894	0.4
164.04370	0.3
165.05489	0.3
167.07094	0.2
168.10208	1.0
171.04439	0.2
172.04784	0.2
174.03110	0.4
175.03870	0.8
178.02554	0.4
178.05800	0.4
179.06969	0.3
180.00531	0.7
180.07347	0.6
184.09703	0.3
185.48773	0.2
186.11249	100.0
187.03966	0.3
187.11661	1.3
188.04225	0.7
189.05542	0.3
190.05884	0.2
191.03430	0.3
192.03857	0.6
195.02908	2.6
200.12788	0.6
201.12314	0.4
202.02664	0.4
206.05325	0.7
207.06493	0.3
208.06870	0.3
209.08130	0.2
216.03758	0.6
217.04993	0.6
220.03377	0.7
226.10681	0.2
227.03389	0.3
227.09148	0.6
230.02084	0.2
230.13850	2.6
234.04849	1.2
235.05942	0.5
244.11681	0.3
244.15672	0.2
245.04460	1.4
262.04312	1.0
262.12939	0.2
262.16473	0.8
263.05481	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07062	1.0
60.11482	0.3
62.54453	0.3
65.89901	0.3
67.46892	0.3
69.03451	0.4
69.26344	1.9
70.06586	1.5
87.04464	31.7
88.07629	1.9
98.23482	0.5
108.28389	0.3
109.99271	0.4
114.09126	0.3
118.06532	12.8
119.07395	0.4
132.08098	4.5
132.10208	2.0
133.08887	2.4
134.09637	1.2
146.09645	4.2
147.10474	0.6
150.11238	1.8
161.45265	0.4
176.14337	74.0
177.14688	1.8
218.11717	0.8
218.21208	0.6
234.85558	0.4
241.50803	0.3
262.18008	100.0
262.23706	10.7
263.18344	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	262.1802
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
69.03413	0.5
69.57001	1.4
70.06586	0.4
77.76441	0.3
84.55297	0.3
87.04467	26.9
92.58855	0.3
95.25235	0.3
118.06535	9.3
119.07339	0.5
120.68508	0.3
129.69165	0.3
132.08076	2.1
132.10161	0.6
133.08844	0.8
134.09653	0.7
142.42232	0.3
146.09607	2.8
150.11209	0.9
176.14339	70.0
177.14656	1.4
204.10143	0.6
208.36815	0.3
262.18021	100.0
263.18301	3.1
264.21085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2165
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
58.02973	7.1
58.06603	6.4
63.15353	5.0
63.55038	4.9
67.05519	8.6
69.11869	39.3
79.05491	11.8
81.07053	19.4
81.36729	5.4
81.50893	5.3
86.06068	33.6
91.05486	11.1
93.07049	21.6
95.08619	19.5
96.08138	8.6
98.22755	17.4
98.23443	11.7
102.17709	5.1
105.07046	16.8
107.08605	12.2
108.08068	6.3
109.10159	16.8
117.06979	5.4
119.08588	13.9
121.10164	10.5
133.10088	6.7
135.11728	7.1
145.10126	5.9
155.18051	5.9
173.13135	5.6
227.18033	7.7
262.13373	6.7
262.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05652	5.5
69.40585	5.7
70.06580	16.6
70.35638	11.3
70.90964	4.9
77.34534	6.0
82.99850	5.7
86.06062	6.0
94.95886	5.1
101.00876	30.0
113.00903	7.1
116.07126	8.0
118.08657	97.7
119.01923	26.1
131.01920	17.6
143.01913	56.3
146.09244	21.3
155.01898	16.2
161.02966	100.0
173.02885	27.3
175.11899	19.5
191.04013	20.5
203.04007	31.4
243.07465	5.7
245.12434	21.1
263.01584	55.0
263.05853	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12581	8.5
61.41695	9.4
70.39289	15.8
85.02911	38.5
98.23338	12.2
118.08656	48.4
175.18860	10.8
262.16397	12.2
263.01642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0551
Annotation	Ancistroquinone F
Peak:m/z	Relative Intensity
51.02362	0.3
53.03916	0.3
55.01622	0.6
55.01867	6.8
64.47783	0.4
65.03933	1.1
66.01083	0.5
68.99793	2.9
70.06568	0.6
71.01344	3.2
77.03914	0.4
79.05490	1.8
81.03412	0.5
84.02111	0.9
89.03913	0.9
90.04689	0.9
91.04939	0.5
91.05474	6.6
93.03413	0.4
94.00534	1.1
95.01331	4.1
95.04935	1.0
97.92210	0.3
101.03905	0.4
102.04695	0.5
103.05460	5.3
105.03391	1.0
105.07024	2.7
107.04932	0.8
107.83245	0.3
109.02871	0.4
109.99987	0.8
111.00741	0.5
111.04445	0.4
112.01576	1.4
115.05441	4.8
117.03384	0.4
118.04153	7.7
119.04939	18.0
121.02872	0.5
122.03619	0.6
124.01572	2.4
129.03334	1.0
130.04109	0.9
131.04927	5.4
133.02853	4.2
133.06480	2.0
135.04387	1.2
136.05142	0.7
137.05968	0.6
138.03154	0.8
139.03918	0.4
143.04942	2.1
145.02840	1.9
146.02557	0.5
146.03627	9.2
147.04401	30.2
148.05031	0.6
149.05905	0.3
150.03123	9.9
151.03851	0.6
152.01028	10.3
152.04584	0.5
153.01779	0.4
153.05460	7.6
157.02847	5.3
159.04431	4.8
160.05112	0.5
161.02303	1.0
161.05971	10.1
162.03119	0.9
163.03909	4.4
163.07468	0.5
164.04680	5.0
165.01846	0.8
165.05450	3.4
166.02594	0.4
167.03323	2.4
167.07002	0.7
168.07329	0.8
171.04370	2.7
173.02310	0.9
174.01604	0.7
174.03116	14.1
175.03894	28.9
176.04655	3.4
177.01816	0.8
177.05466	1.1
178.01053	0.6
178.02594	9.8
179.03357	1.9
179.07001	4.5
180.00523	25.8
181.00850	0.5
185.02335	3.1
186.03027	0.4
187.03848	3.0
188.04681	1.0
189.03772	0.8
189.05460	13.0
190.02505	0.3
191.03397	5.0
191.06943	1.1
192.04166	13.0
193.04964	7.7
194.02113	2.6
195.02875	100.0
196.03227	2.0
199.03862	5.4
201.05388	0.4
202.02599	26.6
203.03354	7.8
203.06767	0.4
204.04178	4.1
205.01299	1.2
205.04793	1.6
206.02121	1.1
207.06514	15.1
207.08504	0.7
208.06879	0.4
209.04475	0.7
210.08421	1.0
215.03397	1.1
217.04950	22.4
218.05409	0.5
219.02951	2.7
219.06488	4.7
220.03653	13.1
221.04375	2.8
222.01538	0.8
227.03366	9.4
228.09456	2.3
230.02092	17.4
231.02785	1.5
233.04399	0.9
234.05290	0.5
235.05998	21.7
237.03888	0.6
245.04440	52.7
246.04779	1.2
248.03107	3.7
263.05493	91.9
264.05829	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.8
58.70860	0.5
59.07379	0.8
60.05643	0.6
63.24451	0.5
64.01855	0.5
68.91877	0.6
69.03441	0.7
82.99823	2.9
84.00584	0.5
85.02903	0.7
85.48978	0.5
86.06055	1.1
87.04469	1.1
94.99866	0.9
97.02877	0.9
101.00874	30.3
104.07091	0.6
104.90099	0.6
113.00868	9.5
118.08647	41.8
119.01916	29.6
120.02013	1.1
126.33614	0.5
131.01904	18.1
131.02908	0.9
137.02950	1.8
143.01892	58.2
144.01973	1.5
145.03497	1.6
146.09238	9.8
149.02963	1.9
155.01888	14.4
157.03459	1.4
161.02953	100.0
162.03090	2.3
167.01935	1.7
173.02959	32.2
175.04510	0.7
179.04018	1.5
184.04576	1.9
185.02948	5.0
187.04424	0.6
191.04008	18.5
196.81352	0.5
197.03073	1.2
203.03998	23.4
215.03886	1.1
221.05049	4.0
233.04999	2.2
239.06068	1.1
245.04872	0.6
263.01727	1.1
263.06079	27.4
263.16867	0.7
264.06293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0915
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
55.01871	2.8
68.99785	0.6
69.03428	0.3
69.61729	0.3
69.80781	0.9
71.01363	1.6
71.38412	0.3
75.30698	0.3
83.01340	2.1
91.05486	3.0
95.01337	0.4
103.05476	0.7
104.99262	1.7
105.07019	1.9
107.04948	0.5
111.00822	0.5
115.05460	1.2
116.60726	0.3
117.07019	0.6
118.04176	0.6
119.04940	1.8
119.08597	2.8
121.06532	0.9
124.01636	0.3
128.06195	2.6
129.06189	0.4
129.07005	3.2
131.04938	0.9
131.08572	0.4
132.05717	0.8
133.02853	0.5
133.06490	1.7
133.10124	0.5
135.04460	0.4
135.08054	0.3
141.07027	0.5
143.08542	1.8
144.05690	0.3
145.06477	1.3
146.03651	0.9
146.07202	1.0
147.04411	2.9
147.08041	11.1
150.03131	0.7
152.01022	0.9
153.05434	0.9
153.06830	0.4
157.02820	0.3
157.06485	1.9
158.07248	0.4
159.04396	0.5
159.08096	1.4
160.05193	3.9
161.05971	9.7
161.09605	3.7
163.03836	0.4
163.07545	0.7
164.04619	0.5
165.05441	0.6
171.04341	0.8
171.08035	5.0
173.06062	0.8
174.03105	1.2
174.05569	0.2
174.06755	10.1
175.04047	2.9
175.07538	47.7
176.07912	0.8
177.09094	0.4
178.02640	0.6
179.03380	0.4
179.07082	0.8
180.00526	2.4
181.06487	0.3
183.89262	0.3
184.05191	1.7
185.05952	1.1
187.03877	0.4
187.07541	1.4
188.08255	0.4
189.05466	2.9
189.09093	16.4
190.06255	0.7
190.09288	0.4
191.03313	0.4
192.04175	1.1
193.04951	0.5
195.02882	9.3
199.03860	1.2
199.07533	5.9
201.05431	0.7
202.02646	2.3
202.06306	0.5
203.07019	100.0
204.07425	1.5
207.06487	2.0
216.07838	0.7
217.05005	3.0
217.08585	34.9
218.08885	0.8
219.06566	0.6
220.03696	1.2
227.03343	1.1
227.06998	1.0
230.02106	1.3
235.05986	1.8
245.04465	5.3
245.08076	41.0
246.08394	0.5
248.03212	0.4
263.05496	10.7
263.09128	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	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
50.62202	0.9
53.03951	1.0
55.01872	1.7
55.05497	2.5
61.81881	0.8
65.03937	1.7
67.05502	4.0
68.42700	0.8
69.03430	7.2
69.59814	0.8
70.48022	0.9
70.48358	2.0
70.91424	1.0
79.05487	5.5
81.07049	6.2
83.04988	2.1
85.02901	2.0
87.04465	2.7
91.05461	8.4
93.07036	6.6
95.04971	4.3
95.08604	1.5
97.02899	3.8
97.06541	12.8
99.04472	1.2
104.99265	1.2
105.04563	1.2
105.07027	10.0
107.04967	2.2
107.08589	12.4
109.02898	3.5
109.06522	4.3
111.04448	6.5
111.08121	1.5
113.02359	5.2
115.05450	1.9
117.07022	4.8
119.04928	2.0
119.08601	9.2
121.06508	5.3
123.04433	5.9
123.08051	3.2
128.06242	4.1
129.07027	3.8
131.08588	5.0
133.06502	3.4
133.10129	3.5
135.08051	100.0
136.08409	1.5
137.05983	5.7
139.03883	1.2
141.06981	2.4
141.28450	1.1
142.07748	6.6
143.08589	5.5
144.09319	2.5
145.06514	2.7
145.10132	2.9
147.08061	7.7
147.11731	1.5
149.06013	1.8
149.09648	1.7
151.07518	2.0
155.08537	2.1
156.09349	8.8
157.06528	1.4
157.10147	5.3
158.07285	1.9
159.08031	6.6
159.11690	8.6
160.08873	2.3
161.05986	3.2
161.09639	4.2
163.07529	3.9
165.07014	2.0
165.09097	2.2
166.07741	3.4
169.10133	2.0
170.07314	1.2
171.08014	3.4
171.11678	7.1
172.08878	5.8
173.09627	9.4
173.13351	1.5
175.07582	3.8
175.11205	3.5
181.10176	3.2
184.08832	4.7
185.09642	4.8
187.07608	2.2
187.11183	28.4
187.12895	1.4
188.08336	3.2
189.05502	1.0
189.09151	2.4
189.12737	2.6
191.07082	1.5
199.07527	2.9
199.11182	18.0
202.09862	2.1
203.10680	31.8
204.10953	1.0
205.53442	0.9
212.08337	5.1
212.56317	1.0
215.10678	18.9
217.08665	1.7
217.12231	19.6
227.10675	15.2
228.11096	1.0
233.11732	17.5
234.12000	1.5
241.12689	0.9
245.11719	56.1
246.12172	1.2
263.12784	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	0.8
55.01878	0.9
55.05510	15.0
55.05780	0.9
56.24846	0.3
57.03432	1.6
57.07073	10.5
65.03933	2.0
66.04712	0.3
67.05502	86.7
68.05830	0.9
69.03431	0.5
69.07066	17.0
70.89941	0.4
71.04982	1.9
71.08627	6.3
71.25932	0.4
71.44263	0.4
71.74911	0.3
74.06071	0.4
77.03881	0.5
79.05489	21.2
81.07053	100.0
82.07394	1.6
83.04995	1.9
83.08616	12.6
83.09100	0.8
85.06541	3.5
85.10195	2.8
91.05477	16.9
93.07041	22.9
95.04961	2.2
95.08602	89.3
96.08941	1.2
97.06528	7.2
97.10161	6.7
99.08093	5.7
104.99283	1.3
105.04539	0.7
105.07026	10.9
106.07343	0.5
107.08586	15.2
108.02136	0.4
109.06503	0.8
109.10152	45.4
110.10506	0.5
111.08086	4.9
111.11715	1.2
113.09641	3.0
119.08575	10.8
121.09261	0.9
121.10141	15.9
122.10459	0.6
123.08054	1.8
123.11701	20.8
125.09632	1.3
127.11182	1.8
131.08525	0.6
132.35628	0.4
133.10118	13.7
135.11679	10.0
137.09641	2.1
137.13252	8.6
139.11197	0.9
141.12727	2.6
147.11687	8.5
147.12846	0.5
149.13248	7.9
151.11147	1.5
151.14809	7.8
153.12675	0.6
155.14352	2.2
161.13251	11.2
163.14819	7.9
165.12778	0.7
165.16393	7.8
167.14284	0.9
175.14812	6.6
177.16385	1.9
179.14317	0.7
179.17957	3.3
181.15884	1.6
189.16406	3.4
192.61110	0.4
193.15852	0.6
203.17918	1.5
207.17441	0.7
217.19521	1.3
219.21074	0.6
234.02631	0.4
245.22647	31.7
246.22903	1.2
263.23694	89.3
264.23984	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	264.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
56.96565	100.0
61.56128	0.6
62.73623	0.5
67.98167	0.8
71.44509	0.6
71.95277	0.7
72.96037	1.4
77.23872	0.6
78.04514	0.6
81.04533	1.6
83.97635	1.7
84.04504	0.8
97.49629	0.6
97.99179	0.9
98.97585	12.1
102.05489	0.6
103.38816	0.6
105.03424	0.7
110.89008	0.6
116.98618	8.5
119.08613	0.9
120.08176	0.6
122.07149	12.7
130.24066	0.5
134.99654	3.0
137.09715	0.8
138.83589	0.6
144.04782	4.0
144.96812	0.9
147.04309	0.9
147.08069	1.0
148.04764	0.6
149.02740	0.7
154.28583	0.7
161.03006	0.7
161.36522	0.6
161.37932	0.7
162.03064	1.1
165.02231	2.4
165.04961	0.7
165.09142	0.9
167.03786	1.4
176.03838	19.4
178.05394	32.2
180.00487	0.9
183.03252	5.7
186.02371	1.1
190.01787	1.1
190.05800	0.7
192.03433	1.7
193.08582	2.3
194.04884	5.5
195.03006	1.1
195.69284	0.6
196.03432	3.8
196.06447	19.0
201.04356	4.7
202.10735	1.4
203.02975	0.7
204.03302	9.8
205.00221	0.6
208.02853	4.3
210.04370	1.7
211.09683	1.3
218.05309	1.0
219.03268	0.8
222.04372	88.5
223.04672	1.1
226.03841	2.2
229.10677	0.8
231.02289	0.9
236.06192	1.1
240.05424	65.0
241.05777	1.7
245.05937	2.4
246.04817	2.7
246.07629	0.7
263.07013	1.1
264.05475	34.4
265.05804	1.2
282.06427	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77648	0.5
56.96568	2.2
63.10672	0.6
63.46816	0.6
69.03423	0.9
70.06574	1.1
70.56323	0.6
75.13821	0.5
82.99827	4.7
83.99897	0.7
85.02904	1.4
91.05483	10.3
91.08549	0.5
91.86953	0.5
97.02898	0.7
98.97590	5.5
100.02491	1.6
101.00883	40.1
102.00961	2.4
102.96886	3.4
104.33767	0.6
107.04953	1.8
114.00976	0.7
116.98641	2.4
118.03515	4.7
119.01924	100.0
119.04931	12.2
120.01994	3.9
120.97871	1.5
121.01631	0.8
122.07140	1.8
127.03902	0.8
131.01921	0.8
132.02016	0.8
136.04539	0.7
136.07582	14.9
137.02959	20.4
143.01929	1.6
144.02051	3.9
145.01614	0.6
147.04388	4.1
155.01886	0.8
156.02155	0.9
161.02977	2.1
161.04404	0.9
162.03104	7.0
163.02679	1.1
165.03954	1.0
168.02753	1.0
170.01070	0.6
172.34923	0.6
174.03107	1.9
174.97986	0.5
175.12029	0.7
176.05544	1.4
177.00963	0.6
177.04036	0.7
179.05527	7.9
180.00885	1.6
183.04984	1.2
191.03918	0.6
192.04158	1.6
194.04265	2.5
194.06644	1.8
195.05107	2.3
197.06551	5.0
201.04034	0.6
202.51738	0.6
203.05528	2.5
204.04129	1.3
205.03505	0.6
207.05112	2.6
209.06584	0.7
210.46964	0.5
212.05412	1.1
213.06143	0.6
218.06654	2.9
219.05035	9.7
219.07108	0.8
221.06586	25.4
222.01904	2.5
222.06270	1.6
223.04636	0.7
225.06200	0.6
231.07658	0.9
232.96465	0.6
235.04524	2.4
236.07652	0.7
237.06071	12.0
239.07648	14.0
240.08073	0.7
240.52849	0.9
243.02298	1.0
245.05057	1.3
246.01961	1.6
246.05937	0.7
247.04498	15.1
253.05635	2.9
255.07143	1.5
260.07797	0.7
263.99377	1.7
264.03030	13.3
264.07153	26.3
265.02817	1.5
265.05542	40.2
266.06009	0.9
274.97495	1.4
282.00433	1.1
282.08234	16.5
283.06519	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	264.1958
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
55.05516	4.3
67.05498	1.1
68.05042	0.7
69.03426	0.8
69.07067	1.4
69.77170	0.7
69.77505	1.4
70.06592	1.1
79.05496	3.4
80.05012	11.6
81.07059	4.1
83.04906	0.6
83.08624	1.1
84.04496	1.7
86.06071	1.0
87.04465	62.1
91.05476	2.7
93.05788	2.0
93.07037	4.9
94.06554	1.2
95.08592	1.2
98.06055	1.2
102.05531	1.4
105.07026	1.1
107.08587	3.0
108.08115	78.8
109.10204	0.9
110.09673	8.4
113.76027	0.5
115.03938	0.7
117.06999	1.1
118.06554	1.1
119.08575	2.7
120.08025	0.8
122.07120	0.6
122.09681	1.1
123.10413	1.1
131.08591	1.0
132.08063	0.7
133.10085	1.0
135.11696	1.3
144.08061	2.8
146.09534	0.6
148.11174	0.7
158.09592	0.8
159.10442	1.3
161.13293	0.9
163.07588	0.6
164.10732	0.5
166.08620	20.3
172.11247	0.8
173.11746	0.7
176.07083	1.0
176.14346	1.9
178.15923	1.2
180.10214	0.9
184.13301	0.7
194.11758	93.1
194.66856	0.6
195.12381	4.4
196.13327	34.1
197.13603	1.0
202.15880	12.4
204.10240	1.0
205.37219	0.6
208.13329	0.6
216.13829	9.7
234.14861	12.6
246.14825	1.7
264.15952	37.4
264.19543	100.0
265.19849	2.4
281.62326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
50.58374	2.2
50.66686	2.0
55.05501	2.9
59.91471	1.7
61.91375	1.7
67.05493	5.3
69.03416	4.2
69.36917	8.4
79.05494	10.5
80.02091	1.8
81.07067	4.1
83.04988	2.7
91.05488	15.0
93.07057	11.8
95.04964	20.7
95.08603	5.2
103.05438	2.2
105.07034	29.6
107.08633	4.4
109.06512	6.3
111.04446	47.7
115.05488	2.6
115.99146	1.8
117.07066	9.3
119.08590	23.7
121.06503	6.9
121.10118	3.2
122.07176	9.0
123.08096	2.0
129.07007	5.7
130.07794	2.6
131.08565	22.1
133.06497	19.6
133.10124	5.2
135.08070	4.8
137.05957	2.7
141.06985	5.3
142.07732	2.6
143.08554	7.7
144.09317	5.2
145.06480	6.1
145.10133	17.1
146.07205	2.3
147.08061	38.0
149.05989	2.3
151.07556	2.7
155.08617	2.3
155.10663	9.1
156.09401	1.8
157.10146	4.7
158.07306	11.2
159.08049	23.3
159.11687	17.2
161.09589	7.0
163.07558	5.5
168.09334	3.6
169.10199	2.3
171.08061	4.6
172.08896	9.8
173.09618	4.8
173.13254	5.1
175.07545	35.7
183.11673	3.5
187.11189	12.2
189.09053	10.6
193.08617	37.0
196.08824	3.7
199.03242	2.1
199.11089	2.4
201.12775	6.3
204.04140	4.3
207.10051	2.5
211.11131	7.4
219.06584	4.3
229.12259	8.4
247.13295	10.0
250.04857	4.9
265.07071	28.9
265.14352	100.0
266.14597	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	2.8
55.05508	6.7
55.47131	1.9
58.90865	2.1
65.03959	5.2
67.05503	15.8
69.03426	19.2
69.34409	12.9
69.64050	2.3
71.05020	3.3
72.08173	3.1
78.53447	2.2
79.05481	14.1
81.03437	2.2
81.04527	11.7
81.07063	13.5
83.05001	7.5
89.03960	2.9
91.05475	31.6
93.03416	5.2
93.07041	25.7
95.04964	33.7
95.08652	9.5
97.02914	3.3
97.06538	5.6
99.04438	3.9
105.07024	35.8
107.04896	2.8
107.08593	15.9
109.02869	2.7
109.06525	20.2
109.10195	5.9
111.04450	16.9
111.08105	4.4
113.06049	9.9
115.05485	4.8
116.06247	3.5
117.03433	4.2
117.06982	12.1
119.08576	55.4
119.09415	2.8
120.08112	3.2
121.02898	7.5
121.06500	27.8
121.10181	10.0
122.07150	99.0
123.04503	3.6
123.08064	17.7
128.06218	4.1
129.06955	10.9
130.07848	4.7
131.08556	27.3
133.06480	11.9
133.10143	13.3
135.08055	48.5
137.09564	11.6
139.03905	15.1
139.07573	4.8
141.07036	5.7
142.07892	5.4
143.08627	9.5
144.04768	23.6
144.09422	6.3
145.02858	14.4
145.06528	7.4
145.10117	18.0
147.04434	4.0
147.08046	29.4
147.11734	9.1
149.06015	5.5
149.09647	8.5
153.07053	2.4
155.08626	6.2
156.09366	5.8
157.06552	3.4
157.10114	11.8
158.07358	10.3
158.10912	3.4
159.08070	24.6
159.11690	21.2
159.12846	2.9
160.08853	4.3
161.06007	2.6
161.09601	26.6
163.03918	3.5
163.07614	5.4
165.09117	21.6
168.09448	2.8
169.10199	3.3
171.08115	5.3
171.11766	7.8
172.08809	11.9
173.05948	3.1
173.09625	11.3
173.13297	10.8
175.04039	4.1
175.07536	45.2
175.08861	3.6
175.11188	23.7
177.05440	22.2
181.06674	2.4
183.11781	10.7
185.09721	5.3
187.07664	2.9
187.11162	28.3
189.09178	7.3
189.12846	7.6
193.08621	17.8
193.10236	3.0
196.08885	3.7
199.11215	8.7
201.12659	19.3
203.10654	36.6
205.12277	4.7
211.11212	16.1
217.12251	14.9
219.06613	5.5
219.13733	4.8
229.12181	21.3
235.13417	7.4
247.13150	31.3
265.06931	14.7
265.15140	100.0
266.10117	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	265.1435
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
55.05519	10.1
57.07077	7.4
65.03977	5.1
67.05504	7.4
69.03423	18.7
69.60251	15.5
79.05495	15.6
81.03403	4.5
81.04533	8.6
81.07071	8.8
83.04977	43.4
87.04468	21.1
91.05499	20.3
93.07045	22.4
95.04974	8.9
95.08627	3.8
97.02887	5.3
100.91591	4.1
105.07027	21.6
107.04940	5.3
107.08604	39.6
109.02890	10.6
109.06527	18.5
109.10128	5.1
111.04445	18.2
113.05980	6.7
117.07030	9.7
119.08574	27.8
121.02885	10.4
121.06501	46.2
121.10137	6.8
121.73573	3.9
122.07159	65.3
123.08065	10.0
129.06981	6.6
131.08588	21.5
133.06425	4.2
133.10124	9.2
135.08052	73.0
135.11649	3.8
137.06006	13.4
137.09586	6.1
141.06955	4.6
143.08595	8.1
144.04758	18.7
144.09369	7.2
145.06517	19.6
145.10152	13.5
147.08081	10.9
149.06021	13.7
149.09615	25.6
151.07521	5.6
151.11188	7.0
153.09129	8.3
158.10857	10.4
159.08090	10.6
159.11699	25.2
161.09662	14.3
163.07552	50.5
163.11270	7.1
164.41238	4.0
172.08878	11.8
173.06053	8.6
173.09677	16.0
173.13260	41.2
174.06842	5.5
177.09106	9.9
181.05016	4.2
183.11699	10.8
186.10442	20.6
187.11189	65.3
190.06270	5.4
191.07060	27.5
201.12721	70.5
205.08620	18.4
205.12288	17.2
209.08076	5.4
211.11162	10.9
219.13788	25.0
229.12245	77.8
233.08086	14.5
247.13274	100.0
247.15584	6.7
265.10757	14.7
265.14249	15.7
265.17679	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	265.1435
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
53.03922	5.1
55.05498	7.4
57.07093	7.3
59.04988	5.6
67.05488	9.0
69.03426	19.4
69.26345	27.1
70.06596	8.8
79.05476	12.5
81.04548	12.9
81.07047	15.9
83.04984	45.7
91.05469	21.8
93.07037	28.7
95.04984	9.1
95.08592	7.0
97.02881	5.8
103.56815	4.6
105.07056	25.8
107.08596	41.7
109.02862	20.9
109.06512	21.6
111.04434	22.1
113.05962	6.7
117.07049	14.8
119.08572	21.8
119.26675	5.7
121.06483	40.1
121.10144	9.5
122.07160	87.9
123.08101	10.1
126.12366	5.4
129.07010	8.6
131.08539	14.3
133.10130	12.3
135.08063	78.1
137.06023	5.7
143.08553	7.7
144.04739	26.3
144.09317	9.1
145.06461	12.4
145.10162	11.6
149.05934	7.6
149.09604	22.3
151.07571	7.2
158.10861	7.4
159.08037	10.3
159.11690	29.6
163.07539	44.3
163.11143	16.1
165.09105	15.0
172.08810	14.8
173.06058	7.0
173.09659	14.1
173.13280	35.9
177.09230	6.4
177.12761	6.5
183.11723	6.3
186.10350	14.3
187.11183	68.6
191.07057	27.2
201.12718	71.7
202.12704	5.5
205.12227	18.3
211.11165	7.0
219.13792	17.3
229.12247	56.8
247.13318	100.0
264.24329	23.2
265.08533	7.6
265.14276	14.9
265.18463	6.9
265.24722	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	265.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.3
55.70996	0.6
55.82544	0.5
57.07079	1.3
65.03922	0.7
67.05485	2.2
68.99788	1.4
69.07069	5.6
69.20669	3.8
71.08589	0.7
79.05478	0.9
81.07053	1.8
82.04183	1.0
83.08611	2.1
87.10870	0.6
93.07037	1.5
94.14915	0.6
95.04971	1.7
95.08606	1.7
97.06520	4.7
97.10118	0.8
104.99301	1.0
107.04930	0.8
107.96714	0.9
109.10165	0.7
110.03645	1.6
111.04433	1.4
118.83469	0.6
121.06496	1.7
121.10150	1.4
122.07116	2.1
123.04427	2.0
125.05991	63.6
126.06293	1.0
135.08046	0.9
135.11647	0.6
137.05966	2.0
138.10051	0.6
149.09573	0.9
153.05464	100.0
154.05794	2.2
163.07497	3.1
164.53802	0.7
167.07011	1.3
177.09048	3.0
189.58322	0.7
189.60126	0.6
196.96629	1.4
219.17480	0.8
223.97655	0.8
241.98753	2.8
245.92270	0.6
247.16977	2.6
247.24257	1.1
265.00406	2.1
265.17905	9.8
265.22256	0.6
265.25208	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	265.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
57.07071	0.8
65.03941	0.8
67.05501	1.0
68.99787	0.5
69.03401	0.4
69.07065	2.6
69.22333	1.2
69.22734	0.7
77.01829	0.3
79.05482	0.7
79.63468	0.3
81.07043	0.5
82.04198	0.8
83.08616	1.3
91.05510	0.7
93.03403	0.7
93.07036	0.4
95.04988	1.6
97.06533	3.8
104.99244	0.6
107.04946	0.9
110.03662	1.4
111.04429	2.0
117.06993	0.5
121.06483	1.7
122.07143	1.8
123.04434	2.7
125.05984	66.9
126.06292	0.8
135.08023	0.4
137.05957	1.7
139.03882	0.8
141.05461	0.6
144.04790	0.6
149.09644	0.9
151.05022	0.5
152.04718	0.6
153.05460	100.0
154.05728	1.4
163.07533	3.5
166.60829	0.3
167.07040	1.0
177.09109	4.5
180.89435	0.7
191.10776	0.4
196.96664	0.3
219.17581	0.3
241.96208	0.5
241.98776	1.1
247.16940	2.8
265.00543	0.7
265.17923	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	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39231	0.1
61.40411	0.1
69.38701	0.2
69.39091	0.3
81.06137	0.2
81.89835	0.1
82.99887	0.3
98.97586	0.8
101.00880	3.3
116.98635	0.5
119.01918	8.7
120.01974	0.2
122.97824	0.1
123.98561	0.2
134.99858	0.6
137.02936	1.7
140.98804	0.4
142.03447	0.1
153.00935	0.3
158.99892	1.9
160.00044	0.2
165.99661	0.2
175.03015	0.4
177.00946	18.4
177.93340	0.1
178.01050	1.0
179.01347	0.1
182.99860	0.7
193.04034	0.4
195.01994	0.2
199.03029	0.2
201.00925	2.4
201.02693	0.2
202.00989	0.1
217.04071	3.1
218.04193	0.2
219.02005	23.1
220.02130	1.5
225.00864	2.5
225.02875	0.2
234.00764	0.2
242.03731	0.2
243.01990	12.7
244.02142	0.9
261.03052	100.0
262.03192	6.3
263.03540	0.4
265.93997	0.3
266.03409	0.4
274.97424	0.1
275.04456	0.1
284.04666	1.8
285.04807	0.2
287.04468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37437	0.1
56.96552	0.4
59.47419	0.1
60.37106	0.2
64.35583	0.1
65.96227	0.1
69.62163	0.1
69.86621	0.3
69.87009	0.4
82.99846	0.4
85.99802	0.2
98.22680	0.2
98.97577	0.7
101.00883	4.4
101.54192	0.2
103.00633	0.5
104.10728	0.4
116.98739	0.4
117.84518	0.2
119.01922	8.2
119.04961	0.3
120.01986	0.4
121.01681	2.0
122.07137	0.7
122.97782	0.2
123.05540	0.6
123.07475	0.4
134.99869	0.5
136.07558	0.3
137.02977	1.4
139.02708	0.4
140.98824	0.7
144.04726	0.9
151.79803	0.2
153.00867	0.3
158.99899	2.7
162.38408	0.2
165.99651	0.3
175.03003	0.4
177.00951	17.0
178.01093	0.7
183.00021	0.8
183.01334	0.2
193.50456	0.2
194.89029	0.1
195.01968	0.2
199.03053	0.3
201.00977	2.4
202.93539	0.2
214.05023	0.2
217.04089	2.9
219.02008	21.6
220.02185	1.3
221.04744	0.2
223.06374	0.5
225.00816	2.2
234.00609	0.2
239.05922	0.2
241.07336	0.3
242.03766	0.3
243.01994	12.6
244.02150	0.6
245.03543	0.2
249.04410	0.3
261.03061	100.0
262.03226	5.6
263.03540	0.5
266.06992	0.5
267.05432	0.8
267.11093	0.8
274.97433	0.2
284.04633	1.6
284.07669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.139
Annotation	Alachlor OA
Peak:m/z	Relative Intensity
54.95577	0.4
55.05500	0.5
59.04960	0.5
66.82301	0.4
67.05499	0.6
69.03439	0.5
69.07059	0.7
71.05004	2.0
71.44099	0.4
71.82043	0.5
72.08150	3.9
72.78580	0.4
73.08484	0.8
81.03415	0.8
81.07044	1.4
85.02894	1.1
91.05474	1.7
94.06561	2.8
95.04948	0.5
97.02857	0.6
99.04382	0.4
104.78120	0.5
106.06576	0.7
106.54459	0.4
108.04487	1.0
111.08112	0.5
113.09616	1.2
117.06999	1.5
122.06025	5.1
122.07043	0.9
123.06797	1.2
124.07603	2.2
127.03903	0.6
129.06985	2.5
132.08093	0.5
134.06044	1.2
136.06186	21.3
138.05478	1.0
143.07288	0.8
144.08069	1.8
145.04977	0.7
145.06404	0.6
148.07610	0.8
150.05507	21.0
150.07646	2.4
151.06244	0.8
152.07065	2.8
153.07829	0.8
156.08051	0.9
160.07552	0.9
162.07716	1.4
164.07024	0.6
168.06572	33.9
176.07036	1.0
186.12769	1.6
187.07324	0.4
187.09918	1.0
188.10683	1.2
188.14340	4.9
190.08638	1.3
191.09439	0.8
192.13869	0.4
197.13608	0.4
198.12769	4.7
202.12323	2.2
204.10245	0.7
205.10942	2.1
216.13817	3.2
220.13295	4.6
230.11777	0.9
230.15428	3.5
231.12212	1.7
248.12727	4.1
248.16585	1.1
266.13840	100.0
267.08319	0.7
267.14197	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	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82541	0.3
55.05526	0.3
57.03424	0.3
59.04985	0.4
61.02924	1.9
69.42729	1.1
71.04994	2.4
79.05495	0.7
81.07057	3.3
82.47350	0.3
87.08137	0.3
94.04054	0.8
100.58690	0.3
113.09635	0.5
119.03558	2.5
136.06184	100.0
137.04596	0.7
137.06529	1.0
150.07755	0.4
229.69635	0.3
234.13495	18.0
235.13744	0.5
258.73096	0.3
266.16122	56.3
267.16501	1.7
281.28638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23668	0.1
50.74553	0.1
50.88004	0.1
51.94046	0.1
53.03971	0.2
55.03009	0.1
55.05510	0.5
57.03430	0.4
59.05007	1.0
61.02932	0.8
66.80662	0.1
69.03455	0.2
69.56663	0.5
71.04993	3.3
72.08145	1.3
73.02940	0.2
73.08481	0.3
75.27784	0.1
79.05487	0.5
81.07059	3.7
84.08144	0.2
85.02884	0.2
87.08114	0.3
94.04050	0.3
99.08091	0.5
108.04500	0.2
108.56524	0.1
111.49815	0.1
113.09635	0.9
114.10269	0.3
115.92889	0.1
119.03533	1.3
119.11690	0.1
120.08083	0.2
122.07117	0.2
134.06076	0.2
136.06184	100.0
137.04628	1.1
137.06656	0.8
150.05458	0.2
150.07759	0.3
150.09171	0.2
162.07747	2.3
163.16414	0.1
168.06557	0.3
188.07166	0.2
201.50931	0.2
234.13528	1.3
248.09300	0.3
248.11507	0.1
248.12718	0.2
248.14977	1.1
266.10104	0.5
266.16110	26.7
267.08542	0.3
267.16440	0.7
284.66263	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	267.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42554	0.5
69.69366	1.0
101.27219	0.5
141.39651	0.6
147.12424	0.6
221.07840	3.9
267.08380	100.0
268.08810	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89686	0.5
52.20151	0.5
61.42786	0.4
70.41925	1.0
73.99212	0.4
99.70937	0.4
125.80109	0.4
162.22246	0.5
197.19405	0.4
221.07834	3.8
261.05588	0.5
267.08377	100.0
268.08694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42316	1.2
98.23418	0.6
145.87630	0.5
221.07829	3.5
267.08383	100.0
268.08710	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0864
Annotation	Diaportinol
Peak:m/z	Relative Intensity
50.40167	0.5
55.01859	1.8
57.03429	1.4
61.02928	7.2
65.03963	0.7
66.74124	0.5
68.99806	0.6
69.03442	1.0
69.07069	4.5
70.82130	0.5
71.01349	0.7
73.02899	1.8
79.05476	0.6
80.63114	0.4
85.02888	2.0
87.08083	1.3
91.05471	4.4
93.03400	0.6
95.04977	0.6
97.02891	6.7
97.06542	0.7
98.97588	0.7
103.03947	7.5
103.05472	2.3
105.03354	0.7
105.07026	1.2
109.02903	0.5
115.05468	3.3
117.03360	0.6
119.03620	0.8
119.04942	10.9
121.02921	0.5
122.07162	3.6
123.78657	0.5
124.05272	0.7
125.05988	2.2
131.04915	2.1
131.08755	0.5
133.02841	4.7
133.06471	2.8
134.03610	1.6
136.06187	55.5
137.06000	3.7
139.03946	0.8
140.04694	0.6
143.04927	1.7
146.03574	0.9
147.04405	24.2
149.05984	1.5
150.03056	1.3
150.05453	2.7
151.07544	0.9
151.11375	0.5
153.04225	1.3
153.05470	23.9
159.04456	1.4
160.05197	1.3
161.05978	8.3
162.01855	0.8
162.03127	11.4
163.03882	3.0
164.04666	1.5
165.05467	5.0
171.04379	2.3
171.05687	0.7
175.03902	6.5
175.07587	1.6
176.04695	1.4
177.05470	100.0
178.05884	2.9
179.03435	1.1
179.07040	6.9
180.54831	0.5
181.04959	1.8
188.04689	0.6
189.05452	7.3
191.07018	2.1
192.04166	10.4
193.05017	0.9
199.03946	1.5
203.07043	8.8
205.04974	7.8
207.06512	27.3
208.06912	0.6
210.44589	0.6
217.05043	0.6
219.06534	3.8
221.08002	1.1
231.06520	9.0
237.07542	1.5
249.07603	5.8
262.03275	1.6
267.08554	18.8
268.10452	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	267.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.3
56.96519	0.3
59.04936	0.2
64.14543	0.2
67.05435	1.8
70.06538	0.2
70.15797	0.1
72.99802	0.2
79.05438	0.3
87.04419	0.4
93.06989	0.3
94.06569	8.1
97.70001	0.2
98.97570	0.3
100.03963	1.2
101.02375	0.2
106.06554	2.7
118.05025	1.1
121.06478	0.2
122.06036	6.8
122.06986	0.3
136.06184	1.0
138.61383	0.2
150.05508	100.0
151.05887	1.6
152.05612	0.2
168.06564	2.1
169.06960	0.2
220.02412	0.2
231.07875	0.2
262.03458	0.2
267.09982	6.2
268.10602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1227
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.10820	1.8
54.13826	1.5
57.03431	1.8
67.05502	2.7
69.03423	1.7
69.29492	8.8
69.81722	1.5
80.44548	1.8
81.03410	3.4
91.05464	7.7
93.07050	2.3
105.07050	4.7
111.57540	1.7
115.05463	2.9
116.06228	2.2
117.07011	1.9
119.08625	1.8
128.06206	5.5
129.07018	15.0
131.08568	17.0
133.06511	3.0
133.10158	3.4
141.06992	5.9
142.07800	3.4
143.08556	3.6
144.05713	9.0
145.06442	4.2
157.06506	6.1
158.07260	2.8
159.08044	20.4
161.09605	5.9
169.07654	4.4
170.07272	4.7
171.08047	6.1
175.07507	4.9
185.45644	1.8
187.07558	18.8
189.05475	2.2
189.09087	6.3
199.07588	2.6
199.86029	2.0
203.06993	4.1
203.10779	1.8
204.07802	9.1
216.07713	3.7
218.09447	2.9
219.10143	6.2
221.08046	2.8
221.11795	2.4
231.10231	5.8
237.11240	2.1
249.11208	100.0
250.11572	2.7
267.15836	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	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01862	3.0
55.05513	8.1
57.03187	1.9
57.03435	26.1
62.08876	1.2
67.05502	19.7
69.03416	3.8
69.07070	7.8
69.50840	4.2
69.51231	2.2
71.04979	2.0
72.08125	1.7
79.05492	20.7
80.05834	1.3
81.03414	100.0
81.07053	25.5
83.04978	9.8
83.08616	14.5
85.02928	1.1
85.06499	2.2
91.05477	36.2
93.07030	15.1
95.04425	1.8
95.04967	24.7
95.08600	11.3
97.02876	2.3
97.06506	3.8
97.15774	1.2
98.22723	2.5
99.04456	1.5
99.08105	1.4
105.07024	21.4
107.04951	8.4
107.08601	7.0
108.15875	1.2
109.06482	5.1
109.10143	2.9
111.04398	2.1
111.08063	7.0
115.05475	3.1
117.06974	5.0
119.04940	2.2
119.08579	18.5
120.08097	1.5
121.06499	4.3
121.08385	2.0
121.10121	5.9
123.04427	2.2
123.08076	2.4
123.11693	2.7
125.09624	1.5
128.06227	3.8
129.07001	22.7
131.08560	22.5
133.06471	5.1
133.10127	12.0
135.08052	1.6
137.09555	1.6
141.06973	4.3
142.07750	4.6
143.08568	2.1
144.05711	5.6
145.06429	2.9
145.10100	2.1
146.07199	2.6
147.04367	1.6
147.08017	3.6
147.11708	13.4
149.09610	6.2
151.11218	1.4
153.06935	2.9
155.03409	1.8
156.05727	1.5
157.06482	5.8
157.10101	10.8
159.08058	16.7
159.11650	1.3
161.05939	1.7
161.09583	4.7
163.11191	1.8
165.12706	3.5
169.07610	2.8
170.07233	4.9
171.08009	2.4
172.05142	1.9
173.05925	1.5
174.06735	1.3
175.07494	3.2
175.11188	13.6
187.07542	14.4
189.09055	5.7
190.07442	2.7
193.12218	21.7
203.07019	2.8
204.07797	7.2
205.08646	1.8
211.13361	2.7
216.07867	2.7
219.10118	3.4
221.07788	1.2
221.11652	2.5
221.17339	2.8
224.16374	2.5
231.10136	4.6
231.13814	1.5
237.11137	2.0
244.08678	1.6
249.11209	84.9
249.14938	3.0
262.09506	1.3
267.15845	75.1
268.16348	1.4
268.19144	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	267.1592
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
55.01865	0.7
55.05511	1.6
57.03434	1.1
57.07059	0.7
59.05010	0.6
59.65690	0.5
61.02913	1.5
65.03952	0.6
66.54872	0.4
67.05162	0.8
67.05506	16.2
68.69898	0.5
69.03429	12.1
69.07068	1.6
70.41434	0.7
70.41769	0.6
71.04977	0.9
79.05507	1.9
81.03412	4.0
81.07054	7.3
83.04975	1.1
83.08612	0.5
85.02895	1.7
87.04460	1.0
91.03926	0.6
91.05468	2.6
93.07049	5.4
95.04958	1.5
95.08629	2.4
97.02898	4.2
97.06512	0.9
99.04461	4.9
105.07036	3.5
107.04929	1.0
107.08604	5.0
109.06525	9.2
109.10156	100.0
110.10488	1.6
111.04431	0.9
115.03941	0.6
117.07028	1.0
119.08590	1.7
121.06511	0.8
121.10132	5.6
123.04435	0.6
123.11707	3.7
133.10126	2.4
135.11676	3.9
139.03897	0.9
139.07549	0.9
143.08565	0.9
145.04910	1.5
145.10078	0.8
147.11673	1.6
151.11176	15.5
153.12749	1.0
159.06467	0.7
159.11702	1.5
163.07582	0.7
177.12720	1.0
213.12749	0.6
219.13873	1.3
221.15413	1.2
231.13791	1.8
249.14839	1.8
267.08298	1.7
267.15900	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	267.1592
Annotation	4alpha-Hydroxydihydroilludin M
Peak:m/z	Relative Intensity
55.05497	2.6
57.07078	9.6
65.03946	1.7
67.05499	4.3
68.50122	1.4
68.99794	4.0
69.07069	4.8
77.97064	1.6
79.05489	2.8
81.03426	4.7
81.07053	5.3
85.06530	3.9
91.05484	5.5
93.07027	1.9
95.04948	3.9
95.08600	2.7
103.81103	1.5
103.92879	1.5
105.07008	4.6
107.04977	3.2
109.02911	1.5
109.06512	1.7
109.10151	1.5
111.04468	7.6
115.05456	3.2
117.07027	2.1
119.04951	13.0
119.08571	3.2
121.06535	2.3
123.04430	33.9
124.03986	1.9
127.03912	44.9
128.06252	1.4
129.07021	4.1
133.06493	19.1
135.08128	2.0
137.05939	2.7
139.03908	42.6
143.08548	2.0
145.06514	2.4
145.10139	1.8
147.04405	17.5
147.08040	10.7
149.06026	2.5
151.03970	2.8
153.05463	4.0
155.03394	100.0
156.03763	3.1
161.05980	26.2
161.09615	2.7
163.07547	3.6
165.04076	2.3
165.05482	54.4
175.07553	7.7
179.07027	69.5
185.09753	1.6
185.13264	2.4
187.07652	1.9
189.09007	3.4
193.08638	4.0
194.84171	1.3
203.14359	9.1
203.15988	1.7
213.12727	1.7
221.15358	10.3
231.13818	32.5
232.14085	1.9
247.09111	1.4
249.11237	5.9
249.14848	55.9
250.15096	1.9
267.07858	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01869	0.4
57.03432	0.4
69.03434	0.3
69.23617	0.1
69.27321	0.1
69.97894	0.1
70.01053	0.4
73.02924	0.3
85.02912	0.3
86.71761	0.2
94.04051	0.4
98.23405	0.2
98.97577	0.3
119.03554	0.5
133.04919	0.3
133.22556	0.1
133.29063	0.2
136.06181	100.0
137.04622	0.3
137.06668	0.8
156.03409	0.2
174.04431	0.2
178.05795	0.2
186.04396	0.2
199.89346	0.2
221.01660	0.2
228.05476	0.2
244.99818	0.2
263.00519	0.2
263.02927	0.7
268.10388	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	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05512	1.2
56.05027	0.7
57.03421	0.4
57.07063	0.4
57.93816	0.2
58.06572	0.3
69.07048	1.0
69.39020	1.3
70.06578	0.4
72.04521	1.8
73.02905	0.9
78.26985	0.2
79.05499	1.6
80.05009	0.2
80.08825	0.3
81.03384	0.8
81.07069	1.5
81.62671	0.3
82.06573	0.6
83.08620	0.5
87.04438	0.7
91.05468	0.6
93.07040	3.0
94.06565	1.2
95.04950	0.7
95.08580	0.8
96.08103	0.6
98.22742	0.5
100.03992	0.6
102.05531	0.7
105.06998	0.7
107.08588	1.8
108.08120	10.3
109.08868	0.8
109.10135	0.5
110.09648	0.9
110.81281	0.3
116.36411	0.3
117.20840	0.3
119.08547	0.3
121.03984	0.3
121.10117	0.2
122.09658	8.4
123.10485	1.3
124.03911	0.6
124.11210	1.5
125.24859	0.2
133.10130	0.3
135.04390	0.8
135.10675	0.4
135.11667	2.2
136.06189	0.9
136.11223	3.9
137.13216	0.6
140.12422	0.3
142.08667	0.6
150.12781	16.7
151.13574	7.7
152.07028	1.2
152.14270	0.3
153.12682	0.5
153.15129	0.3
156.10194	0.7
159.09744	0.3
166.12335	0.4
167.09326	0.3
170.11774	1.4
178.15926	3.8
179.14351	0.3
179.16414	0.3
180.10181	1.2
182.11731	1.2
182.80786	0.2
194.11769	3.0
195.12592	0.7
222.14865	1.6
224.16443	100.0
225.16768	2.3
226.18001	4.5
247.16095	0.3
268.19067	62.1
269.19470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.05492	0.9
56.05022	0.8
62.29913	0.5
69.07052	0.6
70.95720	0.5
72.04494	1.5
73.02892	1.0
74.06054	0.7
77.93129	0.4
79.05466	1.6
79.30016	0.4
81.07050	1.4
91.05534	0.4
93.07042	3.0
94.06545	1.1
95.08593	0.5
96.01463	0.4
96.08105	0.5
100.03989	0.7
102.05572	0.5
105.32227	0.4
107.08594	0.9
108.08112	10.2
109.08936	0.6
110.09628	0.6
119.08588	0.6
122.09657	6.6
123.10421	1.0
124.07558	0.7
124.11210	1.2
125.05099	0.4
133.10103	0.7
135.11659	2.0
136.11230	3.5
150.12773	15.4
151.13568	8.2
152.06999	2.6
160.79764	0.4
166.08640	0.4
167.09357	0.5
168.10173	0.6
170.08121	1.4
170.11786	0.6
178.15910	3.4
180.10138	1.1
182.11757	0.8
194.11723	2.7
195.12564	0.8
196.16872	0.6
222.14879	1.5
224.16438	100.0
225.16838	2.4
226.17984	2.6
232.12512	0.5
268.19064	79.5
269.13623	0.5
269.19400	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	268.946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
56.52295	3.5
56.96574	21.8
56.96807	4.1
57.03416	4.5
59.00767	4.7
59.05002	8.9
59.81972	3.7
59.86804	3.6
63.39466	3.9
63.85734	3.9
67.24728	4.0
69.03451	4.9
71.04996	33.5
71.50743	3.5
83.06102	5.2
84.07674	4.7
84.08146	54.6
85.02900	15.9
89.06026	69.3
93.04482	4.3
94.93023	6.7
98.97578	44.6
99.81787	4.5
103.57816	3.9
104.10738	25.3
107.07072	31.2
110.07166	50.9
116.98624	28.2
119.82513	4.0
121.06508	4.9
122.07121	8.5
127.03896	5.1
130.73563	3.9
130.80916	3.6
134.96103	18.6
134.99654	8.3
136.06178	7.4
140.00171	9.9
147.07903	4.7
156.07719	7.7
158.01250	11.8
162.95711	5.3
164.93510	37.6
170.49837	3.9
176.02290	4.4
178.95071	13.9
186.04434	5.8
188.93575	10.8
200.05878	7.1
204.01744	13.1
228.05412	33.2
245.08173	5.3
246.02925	6.5
246.03859	5.1
246.06477	50.0
250.93542	9.1
268.94583	100.0
269.12216	5.7
269.15948	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	1.8
55.01863	3.5
55.05510	19.5
57.03436	36.8
57.07077	4.7
58.06591	0.5
59.04993	0.4
65.03936	2.3
67.05502	78.3
68.05834	0.7
69.03440	0.7
69.07066	31.4
69.23804	2.6
71.01348	1.1
71.04992	5.8
71.08610	0.5
77.03923	1.1
79.05491	43.9
80.05827	0.6
81.03413	1.5
81.07053	100.0
82.07394	1.2
83.04980	9.9
83.08621	18.3
85.02899	0.5
85.06548	5.6
86.09773	0.4
91.05477	20.6
93.07042	73.6
94.07368	1.0
95.04974	6.8
95.08604	26.0
97.06529	16.2
97.10158	2.2
97.37399	0.4
98.22752	0.8
99.04446	0.6
99.08111	4.0
105.04517	1.9
105.07027	8.9
107.04947	0.8
107.08588	35.4
108.08943	0.6
109.06529	3.4
109.10150	3.5
111.00962	0.4
111.08080	10.6
111.11697	1.1
113.05992	1.5
113.09658	1.3
117.07014	8.5
118.57852	0.4
118.79665	0.4
119.08581	2.3
121.06503	1.3
121.10139	23.0
122.06731	0.5
123.08051	0.6
123.11720	2.4
123.31230	0.4
125.09618	0.9
127.07532	0.8
131.08562	10.0
133.10127	8.4
135.08075	1.7
135.11688	10.5
139.07529	0.7
139.11171	2.5
147.11703	1.7
149.13251	54.6
150.13626	1.0
151.11177	1.0
159.11688	21.2
161.13284	0.5
165.12784	0.7
167.14284	1.3
177.12738	12.7
195.13803	14.4
195.15605	0.9
213.14850	1.3
243.08997	0.8
251.12640	0.7
268.26328	2.0
269.13687	2.9
269.17459	60.0
269.26666	3.9
270.17783	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
57.03434	1.0
57.07084	0.9
65.03931	2.5
67.05486	2.5
68.63264	0.7
69.03419	3.8
69.07069	3.0
69.45232	2.7
72.53377	0.7
79.05465	1.3
81.07053	3.0
83.04971	1.7
83.08603	1.8
93.03408	2.0
93.07030	1.7
95.08627	1.4
97.06480	0.7
98.23418	1.4
104.99255	0.8
105.07011	0.9
107.08609	1.2
109.10187	0.9
111.04453	3.0
121.02882	4.5
121.10140	1.1
139.03897	100.0
140.04240	1.0
149.13268	2.2
150.10812	0.7
159.11722	0.9
163.07480	1.2
208.14119	1.4
233.15288	1.8
251.16501	1.4
269.17371	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	269.1746
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
54.24310	6.5
55.05511	25.8
57.03435	50.0
57.07064	6.0
57.19642	6.0
67.05502	72.1
69.07072	32.7
69.28458	6.0
71.04992	7.6
79.05491	50.0
79.36050	5.8
81.07050	100.0
83.04967	12.3
83.08613	16.0
91.05474	24.6
93.07049	75.5
93.79903	5.4
95.04974	7.8
95.08598	35.5
97.06533	14.4
98.23522	11.6
99.08077	7.0
104.99277	28.6
105.07011	10.9
107.08604	45.0
111.08055	8.2
117.06989	7.0
121.10126	27.7
123.11652	5.5
131.08571	9.0
133.10078	8.0
135.11671	12.9
140.65161	5.5
149.13237	51.7
154.95691	6.2
159.11710	21.3
161.47955	6.2
177.12741	18.4
195.13788	14.6
269.17487	67.0
269.22809	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.61432	1.3
53.03945	1.8
55.01872	2.0
55.05510	20.9
57.03181	2.1
57.03438	29.3
57.07066	4.1
67.05505	78.7
68.26146	1.3
69.06710	2.5
69.07066	32.6
70.03642	2.2
70.03966	2.3
71.04987	5.7
71.08638	1.7
77.03918	1.7
79.05493	43.0
81.03396	2.2
81.07055	100.0
82.07375	2.1
83.04977	9.5
83.08624	18.1
85.06538	6.7
91.05479	23.0
93.07040	69.5
95.04964	7.2
95.08601	25.9
97.06529	20.5
97.10159	2.4
99.04496	2.0
99.08092	6.4
105.04524	2.1
105.07043	10.1
107.08593	40.0
109.06509	4.6
109.10168	4.4
111.04446	1.8
111.08065	10.2
117.07032	9.4
119.08558	2.9
121.10147	21.9
123.11724	3.3
129.52618	1.1
131.08556	12.4
133.10124	11.7
135.11702	10.5
137.88863	1.3
139.03918	7.4
139.11150	3.1
142.90018	1.1
147.11681	1.9
149.13255	50.0
150.13605	1.6
151.11163	1.7
157.10141	1.3
159.11691	26.1
160.11964	1.7
161.13333	1.3
167.14261	1.5
170.25732	1.2
177.12735	15.5
195.13806	15.4
207.10036	1.2
213.14815	2.8
251.12529	20.5
251.16568	2.3
269.09399	1.7
269.13593	55.1
269.17468	68.3
270.14023	2.0
270.17679	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
52.39349	2.1
53.03934	3.5
55.05513	19.1
57.03440	37.7
57.07061	5.6
67.05505	86.4
67.43277	2.3
69.03437	2.8
69.07066	29.7
69.73345	7.3
71.04974	7.7
76.91257	2.1
79.05489	49.3
81.07055	100.0
83.04974	12.3
83.08617	20.0
85.06540	4.6
91.05477	23.3
93.07043	82.3
95.04970	11.3
95.08611	26.5
97.06538	17.4
97.10130	2.3
98.22720	2.8
98.97569	2.4
99.08089	4.2
104.99269	29.8
105.07025	11.5
107.08592	36.0
109.06542	4.7
109.10143	4.0
109.16092	2.7
111.08073	12.1
112.96636	2.7
117.07036	14.1
117.35143	2.2
119.08542	3.8
121.06473	2.4
121.10145	39.3
123.11724	5.1
131.08592	15.3
133.10146	16.5
135.08061	2.7
135.11702	12.9
147.11601	2.4
149.09618	21.1
149.13246	48.4
159.11707	31.1
161.13136	2.8
177.09109	8.7
177.12721	16.0
180.37523	2.3
186.99562	7.4
191.10486	3.1
195.13818	19.3
209.11711	10.1
269.17465	77.9
270.17786	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	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.12647	0.8
53.03940	1.7
55.01857	2.9
55.05262	1.2
55.05512	20.1
57.03438	29.1
57.07067	3.8
62.57024	0.7
65.03935	2.6
65.65033	0.8
67.05504	80.6
69.07064	23.9
69.64375	1.9
69.64761	1.9
71.04993	7.0
71.08629	1.2
73.02919	0.9
77.03938	1.0
77.82952	0.9
79.05492	45.6
81.03436	2.7
81.07056	100.0
82.07399	1.3
83.04978	11.6
83.08619	18.1
85.06539	6.2
87.04485	0.7
91.05477	29.7
93.07043	73.8
94.07368	1.1
95.04968	6.7
95.08604	25.9
97.06526	18.9
97.10157	2.2
98.23447	0.9
99.04406	1.3
99.08109	5.3
103.03922	1.2
104.99258	4.0
105.04514	2.0
105.07026	10.6
107.08593	32.7
109.06503	3.5
109.10140	5.0
111.08077	8.3
113.05978	1.2
113.09656	1.1
117.07025	11.6
119.08566	2.7
121.06479	1.6
121.10146	18.7
123.11680	3.9
125.09581	0.8
131.08566	14.4
133.10124	14.3
135.08047	3.3
135.11694	12.3
139.11163	1.9
147.11649	1.6
149.09648	1.2
149.13257	42.7
149.14459	2.1
150.13640	1.6
151.11169	2.9
157.10123	1.1
159.11693	30.9
161.13210	1.7
167.14278	1.7
176.23074	0.8
177.12738	18.4
179.14307	3.2
186.99533	1.1
195.13812	20.1
196.82416	0.8
213.14819	1.4
269.17465	87.3
270.17770	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.15351	1.4
53.03949	2.1
53.73788	1.2
55.01855	4.0
55.05264	1.4
55.05510	18.7
57.03437	29.8
57.07055	4.2
60.56327	1.2
65.03932	2.3
67.05503	81.1
69.06727	1.7
69.07068	22.6
70.06570	1.4
71.04975	5.8
77.84009	1.2
79.05048	2.3
79.05494	43.3
81.03424	2.0
81.07053	100.0
82.07409	1.3
82.62975	1.3
83.04986	9.1
83.08620	21.7
85.06532	5.8
91.05477	27.6
93.07041	70.6
95.04974	9.1
95.08604	28.3
97.06528	17.4
97.10136	1.9
99.04460	1.3
99.08080	4.9
104.99256	6.1
105.04509	2.1
105.07022	9.6
107.08592	32.2
109.06489	3.0
109.10141	5.7
111.08066	9.3
113.06045	1.5
113.09687	1.9
117.07012	13.9
119.08565	3.2
121.06518	1.6
121.10146	14.5
123.11713	3.2
131.08545	9.2
133.10139	13.3
134.09131	1.4
135.08028	1.9
135.11687	11.6
136.51628	1.3
139.11111	1.9
147.11696	2.1
149.13261	38.0
150.13609	1.6
159.11682	28.9
161.13275	3.0
167.14302	1.6
177.12779	16.6
179.14339	2.7
195.13803	16.2
195.97078	1.3
269.17459	71.6
270.17761	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	270.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10282	1.9
52.47737	1.5
55.05498	7.0
57.03427	4.8
61.02937	8.5
61.32069	1.7
65.88443	1.7
69.03426	15.0
69.92001	4.0
69.92367	4.0
71.04975	2.0
73.02940	4.2
73.06554	57.3
81.03410	6.4
84.06022	1.8
85.02905	100.0
87.04466	2.6
90.05573	1.7
91.03936	5.4
97.02892	22.6
98.22628	1.9
98.97577	2.5
99.04404	3.1
109.02900	11.0
115.03877	2.2
126.87691	1.8
127.03909	26.9
145.04955	48.7
149.09776	2.1
163.06017	19.8
196.96338	1.9
253.12856	4.2
259.08606	1.6
270.04370	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12272	1.2
53.03941	2.0
55.01865	2.0
55.05509	7.7
56.96551	3.2
57.03428	4.6
61.02934	7.9
69.03428	17.4
70.06573	2.2
70.60693	1.8
71.04988	1.6
71.79192	1.3
73.02902	3.3
73.06554	79.0
78.79110	1.1
81.03415	7.2
85.02903	100.0
87.04468	2.2
91.03951	4.2
97.02897	23.0
98.97575	2.5
99.04453	3.3
109.02856	9.5
110.97509	1.4
116.98617	2.1
127.03924	28.8
131.98473	1.3
136.06195	21.9
137.05722	2.6
137.06596	3.8
138.06909	1.7
140.80531	1.4
145.04955	47.6
151.66696	1.3
156.03381	2.7
163.06006	15.8
163.07336	1.9
166.49013	1.5
181.07370	1.3
186.04449	2.9
187.04654	2.0
193.09709	3.1
202.77953	1.3
204.05276	1.5
212.07707	1.3
234.99786	1.5
247.01471	3.7
247.06813	1.5
253.12785	4.0
265.02567	1.7
270.10803	3.6
294.54938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02379	0.7
52.72633	0.2
53.03942	2.2
55.01867	0.4
59.05013	0.2
65.03940	0.3
69.73469	0.5
77.03922	6.3
79.05479	0.5
81.03412	0.3
84.38368	0.2
87.04465	1.3
89.06029	44.9
90.06358	0.2
91.05477	16.9
92.05781	0.2
93.07042	32.5
94.07371	0.6
95.04966	15.5
97.06215	0.2
100.81275	0.2
103.05466	10.1
105.04513	7.1
107.04987	0.2
107.07085	0.4
117.06998	0.4
118.06518	0.5
119.04945	2.1
119.08574	2.0
121.06501	100.0
122.06828	1.7
129.06956	0.2
130.08624	0.9
133.08598	14.0
135.08029	0.4
139.07545	0.6
147.08046	4.0
149.09593	0.4
162.09081	0.6
163.11168	0.2
165.09108	25.4
166.09401	0.5
177.11188	1.4
183.10150	1.1
209.09883	0.3
209.11726	4.0
227.12733	1.2
271.15369	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	271.1694
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
55.05508	3.6
55.83863	2.6
59.86847	2.7
60.44843	2.9
65.16077	2.4
66.80698	2.4
67.05502	9.0
68.69201	2.7
70.59046	6.6
71.05003	17.5
79.05480	16.0
80.37111	2.8
81.07062	14.2
88.07635	8.0
91.05476	21.8
93.07041	32.8
95.04971	11.4
95.08627	19.0
100.33643	2.8
105.07036	46.0
107.08596	26.3
107.89119	2.9
109.06517	100.0
111.08057	5.1
115.05486	4.0
117.07024	6.8
119.08567	20.6
121.06567	2.9
123.08090	4.6
128.06210	8.6
129.07008	11.4
130.07796	3.2
131.08556	18.9
133.10120	5.9
135.08054	39.0
137.09622	15.3
141.07018	3.9
142.07780	7.7
143.08565	36.2
143.09590	3.5
145.10139	31.9
147.08073	9.1
149.09593	15.1
149.13124	2.8
153.06931	2.9
154.07805	4.4
155.08565	14.5
156.09354	17.6
157.10135	10.7
159.08072	6.8
159.11711	7.9
161.09612	6.1
165.07056	13.7
167.08598	9.8
168.09393	3.5
169.10088	24.9
170.10922	7.6
171.11685	41.8
172.38795	2.8
173.09703	4.3
179.08565	3.6
180.09334	17.2
181.10089	8.0
182.10957	5.4
183.07993	3.7
183.11737	9.3
185.13263	9.4
187.11177	5.1
187.14902	3.0
191.10626	3.7
193.10034	4.6
194.10901	3.8
195.11693	49.7
196.12422	7.1
198.10384	4.9
201.12775	8.1
209.13251	5.7
210.14091	7.0
211.11148	3.2
211.14781	22.6
213.12733	55.3
215.14323	2.9
217.25951	2.9
227.14220	2.9
228.15173	3.7
229.15854	10.1
235.14948	3.6
253.15961	15.4
271.16864	28.9
272.20337	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.61572	1.6
52.43456	1.7
55.05499	6.1
57.07067	3.6
58.22427	1.7
63.38685	1.6
67.05508	13.5
69.07063	18.3
69.94933	1.9
70.44768	1.7
79.05475	4.1
81.07050	31.9
83.08635	8.3
91.05476	6.6
93.07040	15.5
95.08609	30.9
95.09206	2.5
97.10156	4.7
105.07021	21.4
107.08595	23.0
109.10148	26.7
111.11739	2.0
119.08571	26.7
121.10152	19.1
123.11710	14.8
125.19939	1.7
129.36420	1.8
131.08545	7.8
133.10115	17.7
135.11678	9.7
137.13286	3.8
141.26750	2.1
143.41350	1.8
145.10107	16.0
147.11696	28.7
149.13251	9.8
159.11696	19.2
161.13258	17.1
163.14835	9.0
173.13315	9.4
175.14784	14.4
177.16359	3.0
187.14832	10.3
189.16313	13.2
201.16412	12.0
203.17973	2.2
215.17950	17.1
229.19504	3.8
271.21066	4.6
271.24176	100.0
272.24530	4.2
272.29410	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	272.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
53.10752	0.2
55.01854	0.2
55.06108	0.2
56.96565	1.2
57.03421	0.9
58.58449	0.2
61.02925	1.4
65.03945	2.0
66.03154	0.2
69.03423	3.5
70.06573	0.9
70.59713	0.2
71.04974	0.5
71.45169	0.2
72.08137	0.7
73.02905	0.7
75.10163	0.2
81.03421	1.6
81.04513	0.4
81.07049	0.9
83.06081	1.2
84.08121	0.3
84.96008	0.6
85.02905	8.8
87.04458	0.6
91.03938	0.6
92.05003	15.1
93.04523	0.5
93.05806	1.3
94.06563	2.4
95.06090	1.4
97.02892	2.6
97.07677	0.3
98.97594	0.8
99.04482	0.4
109.02889	0.7
110.06041	100.0
110.07119	7.3
111.05701	0.4
111.06364	1.5
112.08727	0.4
114.10281	1.1
116.98622	0.4
119.01936	0.3
124.08677	0.4
124.99155	0.6
125.07082	0.3
126.12792	3.1
127.03884	1.7
127.70620	0.2
134.27721	0.2
143.00172	0.8
145.04938	1.6
152.07062	0.6
156.07666	1.1
161.01155	0.6
163.12311	0.9
177.00954	0.2
180.15063	0.2
185.17578	1.1
187.59453	0.2
205.00166	0.3
208.14461	0.7
214.84592	0.2
219.01939	0.3
226.15514	1.7
229.16722	0.5
231.07536	0.4
249.01489	0.4
254.10202	0.6
254.15050	1.4
272.11343	10.5
272.16095	7.0
272.19589	1.1
273.09369	0.4
273.11920	0.3
273.19263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1131
Annotation	Deidaclin
Peak:m/z	Relative Intensity
56.96566	8.2
57.03439	1.3
61.02927	1.1
65.03948	3.9
69.03432	2.8
70.06595	1.1
71.04958	0.4
71.44479	0.3
71.44865	0.4
73.02906	0.6
74.97628	0.5
75.66270	0.4
75.81416	0.3
76.69157	0.3
78.74253	0.3
80.05006	0.6
81.03431	0.9
84.08130	1.8
84.96026	3.0
85.02908	6.7
87.04475	0.5
92.05005	48.9
93.05303	0.5
93.05795	4.2
94.06564	8.7
97.02895	1.9
98.97584	9.0
99.04449	0.9
108.04475	0.5
109.02888	0.6
110.06041	100.0
110.97567	0.6
111.06378	1.1
114.02322	0.3
115.00654	0.8
116.98615	3.5
119.01878	1.0
124.99112	2.5
126.12842	0.4
127.03912	1.7
134.99648	0.6
140.98645	0.4
141.03369	0.6
142.01768	0.4
143.00160	4.7
143.04922	1.6
144.98070	0.6
145.04933	0.9
146.06850	0.3
152.07056	3.0
158.99652	1.2
159.04472	0.5
161.01216	2.9
161.05974	0.5
166.02916	1.5
168.04491	0.9
168.98129	0.6
169.02921	0.4
170.06004	3.2
171.04378	2.9
174.97658	0.5
177.00774	0.9
182.03410	0.7
184.04202	0.5
184.08243	1.0
186.99095	0.5
187.08691	0.6
188.07028	1.7
189.05492	1.6
191.03830	2.0
200.04413	1.0
205.00264	1.7
207.06453	0.6
212.07614	0.8
213.05049	0.5
213.06593	1.6
214.05049	0.9
219.01854	0.9
223.01282	1.7
230.08788	2.2
231.07651	10.1
232.06245	0.7
248.99083	0.9
249.01366	0.7
249.08635	2.9
254.10260	2.4
255.07683	1.9
255.10745	0.4
258.99774	1.7
261.02698	0.4
267.00275	1.1
272.06589	0.9
272.11279	34.3
273.08664	0.4
273.11600	1.1
277.00812	1.3
290.95059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	1.6
56.96563	19.9
63.89972	0.9
70.06595	6.1
70.99896	1.0
83.97628	2.1
84.51340	1.0
86.65793	1.0
92.04988	1.5
98.97582	25.1
98.98674	1.3
110.06042	3.4
111.06377	3.1
114.02307	2.1
116.03781	0.9
116.98608	9.4
124.00743	1.1
126.02290	1.5
130.93317	1.1
134.99609	1.0
136.00706	1.4
139.01796	1.0
141.03348	8.7
142.01762	2.0
143.04927	9.7
144.03342	1.5
145.06512	2.6
150.03374	2.0
151.01701	1.0
153.03357	2.3
154.01768	3.0
157.83791	1.0
159.04382	1.9
160.02914	1.1
161.05975	1.9
166.02879	15.0
166.04158	1.2
168.03270	1.1
168.04477	7.5
169.02863	6.4
169.07532	1.8
170.06020	38.9
171.04422	30.2
172.02794	2.2
184.03972	4.2
186.05545	2.6
187.03998	1.7
187.08649	9.4
188.07054	16.1
189.05461	21.4
190.03851	4.8
195.05637	1.5
196.03931	1.5
196.35898	0.9
205.09709	2.2
207.06505	9.9
208.04973	1.5
210.94745	1.1
213.06842	30.9
214.05106	12.1
215.03447	1.3
231.07697	100.0
232.06076	10.3
232.08070	1.4
232.10252	1.9
237.06425	1.0
248.99052	1.1
249.08704	28.5
254.09341	1.4
255.07652	18.4
273.08783	10.1
273.11569	2.0
288.09750	1.3
290.94696	2.6
291.09747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83314	1.1
53.03938	2.7
55.01869	4.1
55.05507	11.6
57.03424	4.2
58.76991	1.0
59.04998	1.2
61.02919	2.7
65.03938	3.1
67.05508	6.2
69.03428	12.6
69.07067	8.4
69.43079	4.3
71.01318	1.2
71.04990	9.2
75.04460	2.2
79.05487	5.4
81.03413	7.8
81.07059	11.1
83.04977	58.2
83.08621	2.2
84.05363	1.3
85.02901	19.6
85.06544	2.2
91.05490	3.9
91.97326	1.2
93.03381	2.2
93.07049	8.2
95.04956	6.4
95.08606	6.1
97.02891	21.2
97.06507	3.4
98.23520	2.0
98.97549	1.9
99.04456	5.7
101.06007	2.6
105.07025	3.4
107.04942	4.6
107.08603	2.8
109.02885	3.7
109.06507	3.6
109.10136	2.5
111.04444	30.6
111.08071	18.6
116.98606	1.5
117.07036	2.5
119.08533	1.3
121.02850	3.2
121.06483	3.4
121.10163	5.7
123.04429	27.0
123.08057	1.8
125.05952	2.9
127.03920	10.2
129.05489	5.0
129.40231	1.2
131.08545	2.7
133.10123	4.5
135.04382	6.0
135.07976	1.9
135.11646	2.8
137.05962	2.5
139.03896	100.0
140.04176	1.4
141.05540	1.4
145.05003	1.5
145.06418	1.3
145.10161	6.0
147.11705	1.6
149.05965	7.9
149.09622	3.2
151.03941	6.4
151.07449	1.8
153.05435	3.2
153.06868	2.2
155.08598	2.0
163.03906	5.4
163.11174	5.2
169.04956	2.1
173.09593	5.1
175.07565	2.6
189.05975	1.0
189.16447	1.5
189.64227	1.1
191.10643	22.2
194.15372	1.4
201.09068	8.0
209.11749	1.4
211.09622	3.7
212.16463	3.5
213.09145	1.5
219.10164	23.5
219.12134	2.2
229.10645	1.9
230.17548	7.9
237.11217	22.9
239.09172	1.3
242.92679	1.2
255.08627	3.5
255.12384	6.9
256.19138	4.4
257.10196	5.6
273.09943	1.5
273.13123	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1333
Annotation	(-)-Syringolide 1
Peak:m/z	Relative Intensity
51.17194	0.5
53.73790	0.5
55.01869	2.6
55.05510	5.0
57.03439	1.2
57.40733	0.5
64.47884	0.5
64.85712	0.5
65.03934	1.8
67.05508	5.5
69.03432	2.4
69.07066	6.7
69.62227	2.1
71.04990	2.3
72.44830	0.4
73.02885	0.7
79.05501	3.8
81.03418	2.1
81.07054	7.1
83.04980	11.8
83.08613	2.3
85.02901	3.4
85.06541	1.2
91.05491	2.9
93.03389	1.3
93.07038	5.9
95.04979	3.0
95.08600	3.7
95.18290	0.5
97.02919	3.1
97.06522	2.1
98.22686	0.5
98.97597	1.0
99.04453	1.2
102.72517	0.6
105.07022	2.2
107.04964	4.0
107.08587	1.7
109.02890	2.4
109.06516	1.2
111.04435	11.7
111.08086	18.5
117.07014	2.3
119.08564	1.7
121.02857	5.3
121.06508	1.1
121.10136	3.4
123.04427	23.6
123.08025	0.9
125.05985	2.3
127.03918	5.2
128.64395	0.6
129.05447	1.9
129.06993	1.7
131.04903	0.6
131.08568	1.5
133.02861	2.1
133.06496	1.1
133.10077	0.6
135.04404	4.5
135.11699	0.9
136.94154	0.6
137.06062	0.8
139.03900	100.0
140.04243	1.2
145.06476	1.9
145.10112	3.7
147.04411	1.4
147.08037	1.0
149.02380	2.2
149.05960	7.1
149.09599	2.1
151.03908	6.2
151.07518	0.5
153.05418	0.8
155.03383	1.6
155.08511	1.5
159.08081	0.9
159.10123	0.9
161.06023	1.0
163.03918	6.7
163.07516	1.1
163.11182	4.4
173.06024	0.6
173.09624	4.7
175.07535	3.2
177.09064	1.2
181.12282	0.7
183.08028	0.8
187.21732	0.5
191.10664	21.0
192.11037	0.6
201.09074	6.6
209.11758	1.6
219.10176	21.4
220.10431	0.8
237.11217	20.6
238.11591	0.5
255.08534	0.5
255.09764	0.7
255.12265	6.1
273.13358	2.7
273.18405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.01868	6.4
55.05301	1.0
55.05513	10.5
57.03430	1.2
57.07066	2.0
61.54138	0.7
65.03946	0.9
67.05504	20.9
69.03423	3.3
69.07059	8.8
70.06582	1.8
70.92774	0.9
71.04987	1.4
71.08623	1.0
71.43193	0.9
71.68423	0.7
77.03996	0.9
78.54074	1.1
79.05494	20.6
81.03406	5.6
81.07057	23.9
83.04967	3.8
83.08607	4.1
85.06543	0.9
85.10211	0.8
88.07619	2.2
91.05477	30.4
93.07047	20.9
95.04963	11.1
95.08025	1.4
95.08607	22.3
97.06515	2.5
98.97571	2.3
103.05459	1.3
105.04500	1.6
105.07029	28.0
107.04952	10.8
107.08590	11.2
109.06519	8.1
109.10133	4.9
110.87550	0.8
111.08075	2.3
115.03896	1.0
115.05435	2.4
116.98614	2.3
117.07016	14.0
119.04947	2.4
119.08584	22.3
121.06510	7.6
121.10141	5.4
123.04388	1.2
123.08070	7.5
125.06012	0.9
128.06219	3.5
129.06999	8.5
130.07785	2.7
131.04948	1.9
131.08553	20.6
133.06499	9.1
133.10135	12.1
135.08052	12.5
135.11664	2.8
137.09619	9.8
139.07565	0.9
141.06979	1.6
142.07803	2.5
143.08556	10.0
145.06479	3.4
145.10121	15.6
146.07259	1.1
147.08034	11.7
147.11697	5.7
149.09621	8.2
151.11159	2.3
155.08565	2.6
157.06497	1.8
157.10121	9.9
159.08061	3.3
159.11688	7.4
161.09630	18.8
161.13283	2.0
163.07549	1.4
163.11186	2.6
165.09128	1.5
167.08510	1.5
169.10097	1.7
170.10796	0.8
171.08102	2.2
171.11685	7.3
173.09644	2.9
173.13234	2.1
175.11182	10.1
177.09102	2.3
177.12735	1.3
181.10126	3.1
183.11617	1.5
185.09598	2.8
185.13293	4.0
187.11198	3.6
189.12753	5.3
191.10651	1.9
195.11673	2.4
199.11189	2.9
199.14844	1.8
201.12714	1.2
203.10663	1.4
205.12238	1.0
209.13254	1.0
211.14839	1.6
213.12778	4.2
213.16406	2.7
217.12260	1.5
221.12422	1.0
227.17947	5.5
231.17320	1.0
237.16403	4.8
245.19035	6.0
255.17418	17.1
255.19868	1.3
256.17841	1.2
273.18494	100.0
273.29849	3.2
274.18857	3.5
274.27405	14.5
290.94711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05511	2.3
56.04776	0.7
56.05035	7.0
57.03431	0.4
58.06599	3.4
61.02921	1.8
62.06077	0.6
67.05507	6.3
67.05856	0.5
68.05036	0.7
69.07069	3.0
69.83523	0.8
69.83896	0.6
70.06595	1.3
70.78613	0.4
71.04988	1.3
72.04515	5.7
72.08147	0.6
74.06079	4.7
77.56094	0.4
79.05499	2.6
80.05019	1.3
81.07059	8.6
82.06582	1.8
83.04974	0.7
83.08619	1.1
84.08145	5.0
85.06543	0.9
88.04001	0.5
88.07632	0.7
91.03943	1.1
91.05502	1.8
93.07047	2.3
95.04953	0.8
95.08617	2.0
96.08142	1.2
97.02908	0.4
97.84855	0.4
98.06053	3.3
98.09698	2.2
98.97594	0.6
100.07620	1.4
105.07037	1.6
107.04990	0.5
107.08595	1.9
109.06519	1.2
109.10165	3.1
111.08098	4.6
116.10677	0.7
117.20332	0.5
121.10134	0.6
123.08060	0.6
123.11704	1.1
128.10719	0.5
133.10129	1.4
137.05952	0.6
138.12761	0.5
149.09651	0.8
165.09158	0.8
166.15927	1.5
168.13857	2.5
177.24559	0.4
194.13712	0.8
194.15408	9.7
195.10194	0.5
211.09697	3.1
212.16451	33.2
213.16762	1.0
229.10713	1.3
230.17511	100.0
231.17805	3.1
239.09102	1.2
243.31740	0.4
247.10062	0.4
256.19077	32.2
257.10172	5.0
257.19400	0.7
274.11432	0.6
274.16971	0.7
274.20105	8.1
274.97437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05599	0.3
51.95046	0.4
54.98633	0.7
56.96564	9.7
62.47121	0.3
63.15976	0.3
68.81414	0.3
70.90918	0.5
71.95268	0.5
77.08417	0.4
83.48896	0.3
98.97578	100.0
99.97930	0.5
101.84854	0.3
116.98618	34.5
117.30688	0.3
130.93297	0.9
134.99652	6.8
140.00226	0.5
172.94327	5.0
190.95370	2.5
197.95293	0.4
208.96371	0.4
214.95387	3.1
215.71252	0.3
230.98651	0.4
232.96414	4.3
250.97456	1.7
256.94128	0.3
256.96417	18.3
274.97491	78.7
275.97787	1.2
292.98547	33.8
293.98785	0.4
297.99078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96318	0.7
56.96562	6.5
58.87649	0.4
70.04266	0.9
77.08051	0.4
79.21182	0.4
81.80618	0.4
88.45879	0.4
98.97580	42.7
103.05451	0.8
108.34697	0.5
116.98618	18.0
119.01905	0.5
131.04913	2.7
134.99651	3.3
149.05879	0.5
158.21654	0.5
158.22995	0.5
159.04385	3.8
172.94302	2.0
176.04662	1.7
179.03433	0.7
187.03841	2.4
190.95367	1.0
191.07077	0.6
203.03790	0.4
204.04126	1.1
205.05020	1.4
208.96394	0.6
214.95392	0.9
215.03360	1.5
216.04236	0.7
219.06546	2.6
229.04977	0.7
232.03580	1.1
232.96475	2.7
233.04431	0.9
247.06003	5.0
250.97386	0.9
256.96445	5.9
257.04559	0.6
260.03079	0.6
274.27374	0.9
274.97491	31.6
275.05554	4.2
275.10995	100.0
275.97830	0.7
276.11279	1.5
292.95215	0.7
292.98526	13.7
299.11505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97983	2.0
54.70004	2.3
55.01868	6.5
56.96569	11.9
67.05512	2.5
68.99810	3.1
77.10180	2.3
81.07060	2.8
85.02899	3.7
91.05486	8.5
95.04980	4.1
97.02915	2.4
98.97584	92.0
102.04652	3.0
103.05471	12.7
105.07052	3.0
109.06467	3.0
113.07109	2.8
115.05450	8.4
116.98622	57.9
119.04995	2.8
119.08577	6.4
120.05678	2.7
128.06155	2.7
130.04118	3.9
131.04929	46.1
133.06517	3.2
134.99654	21.7
143.04927	4.4
145.13733	2.8
147.04427	4.4
147.08031	7.3
148.05177	5.2
149.02350	7.0
149.05977	3.3
150.03152	2.4
151.03912	8.4
151.07550	2.3
153.00694	3.5
155.04857	3.0
157.06493	7.1
158.03641	4.2
159.04402	65.8
161.05914	4.3
162.03139	7.1
163.03949	2.8
165.09059	3.4
171.04512	5.7
172.94315	4.5
173.06049	4.3
175.07561	12.4
176.04680	28.2
177.05501	13.2
177.09183	3.6
179.03412	9.1
186.03101	6.4
187.03905	47.3
190.02609	5.2
190.95352	4.1
191.03424	2.5
191.07031	10.1
193.08638	14.0
197.02347	2.2
199.03912	5.4
200.69194	2.7
201.05504	6.7
203.03432	7.8
203.07051	7.4
204.04219	21.1
205.04982	38.0
207.02904	4.1
211.09662	3.2
214.02571	9.3
215.03380	22.0
216.04190	10.6
218.01991	5.7
219.06522	34.9
221.08141	5.8
224.23813	2.4
226.02692	2.4
229.04956	21.0
231.02904	5.8
231.06456	4.4
232.03688	13.2
232.96347	9.1
233.04385	31.5
239.09241	5.6
243.02885	9.3
243.68243	2.5
246.05280	4.2
247.06021	73.7
250.97345	2.7
251.05513	8.2
256.96570	6.8
257.04465	17.1
260.03119	7.0
274.27420	6.5
274.97495	78.4
275.05508	100.0
275.10870	8.7
275.97623	2.9
276.05829	5.1
292.98532	31.8
297.99097	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	275.055
Annotation	Altenuisol
Peak:m/z	Relative Intensity
50.01621	0.4
50.52657	0.4
51.02395	0.6
55.01875	6.6
57.60237	0.4
58.90421	0.4
67.05505	0.5
68.99794	1.3
71.01386	0.3
77.03947	1.4
78.04714	1.0
79.05485	0.9
81.03401	0.6
86.09652	0.5
91.05479	3.4
92.06275	0.8
93.07047	0.6
95.04957	1.5
102.04661	2.8
103.05470	13.6
104.06294	0.6
105.03400	1.5
105.04507	0.7
105.07025	1.2
106.04176	1.0
107.04948	0.7
108.03551	0.4
109.02788	0.4
115.04647	0.5
115.05450	7.9
117.03355	0.8
117.07014	1.9
119.04939	2.7
120.05718	2.8
121.02862	0.7
121.06519	1.0
123.04411	2.1
123.76406	0.4
127.05437	1.0
128.06242	1.9
129.03406	0.6
129.07033	2.1
130.04155	4.8
131.04926	57.6
132.05650	1.5
133.02861	1.1
133.06485	1.5
134.03627	2.8
135.04388	0.6
135.08098	0.9
136.01534	0.6
136.15265	0.4
141.03328	1.0
142.04126	1.0
143.04924	2.7
144.05699	0.6
145.02859	1.1
145.06491	4.6
146.03600	0.6
147.04410	4.4
148.05191	5.1
149.05995	3.8
150.03099	2.2
151.03894	11.0
155.04901	4.0
155.06049	1.5
157.02783	0.6
157.06500	3.8
158.03642	5.3
159.04411	70.4
160.05220	3.2
161.02402	0.7
161.05977	1.7
162.03114	8.6
163.03877	0.9
163.07567	1.7
165.01765	0.6
169.02815	1.1
170.03629	1.3
171.04408	6.2
171.05777	0.5
173.02324	0.5
173.05995	4.5
175.03871	3.4
175.07513	0.5
176.04683	36.3
177.05457	11.2
178.02573	0.7
179.03400	12.2
183.04475	1.3
185.02333	0.5
185.05986	0.8
186.03105	8.5
187.03899	52.7
188.04669	4.4
189.01733	0.5
189.05411	0.7
190.02602	6.5
190.06201	0.5
191.03349	1.3
191.07024	13.9
192.07423	0.7
193.04945	1.6
197.02318	1.6
198.03152	1.1
199.03894	5.4
201.05421	5.7
202.02565	0.9
202.06157	0.8
203.03392	7.4
203.06972	2.6
204.04175	28.3
205.04958	38.9
206.02092	0.9
206.05302	1.0
207.02882	5.7
211.03918	0.6
214.02617	7.4
215.03386	32.4
216.04161	15.3
217.04839	2.3
218.02092	5.9
218.05669	0.5
219.02913	1.8
219.06517	53.3
220.06877	1.4
221.04424	0.8
225.01837	0.7
226.02608	2.3
229.04958	16.7
230.05440	1.1
231.02914	5.7
231.06488	5.5
232.03651	16.1
233.04434	33.4
234.04776	0.8
242.02065	3.8
243.02907	7.1
244.03531	0.6
245.04352	0.4
246.05251	3.3
247.06009	79.9
248.06288	2.3
251.05450	4.5
257.04437	18.9
258.04831	0.7
260.03162	9.1
261.03836	0.5
275.05487	100.0
276.05829	4.3
293.06573	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	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.2
58.23408	0.3
69.69225	0.4
69.69571	0.9
70.06580	0.3
97.30380	0.3
98.97584	14.5
116.98616	5.2
131.04889	0.6
134.99678	0.7
139.09801	0.3
145.48312	0.3
172.94376	0.7
176.04698	0.6
187.03889	0.7
205.05037	0.5
215.03340	0.3
215.81822	0.3
219.06566	0.7
232.96402	0.8
235.27887	0.3
247.06050	1.1
256.96323	1.9
260.02933	0.3
274.97522	9.2
275.10995	100.0
276.11374	2.2
292.98523	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	275.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.3
55.39117	2.0
56.96566	6.8
67.05506	3.5
69.74484	5.7
79.05481	12.1
81.03397	2.7
81.07056	8.0
83.01340	5.9
84.08126	2.6
85.02905	100.0
91.05473	10.1
93.07047	5.8
95.04982	5.3
95.08638	3.2
98.97582	55.2
103.05479	9.6
105.07036	56.3
105.07742	3.0
107.04960	6.1
109.02843	3.8
109.06527	6.9
115.05454	17.8
116.98620	29.6
117.07024	6.3
119.04981	4.8
119.08578	2.0
123.04439	2.5
123.08067	6.3
125.05990	24.4
131.04929	33.1
132.05682	2.0
133.06485	55.2
134.03613	2.3
134.99666	14.8
135.04422	4.2
135.08064	7.9
136.57715	2.1
137.05995	5.5
143.04930	8.3
145.06479	6.0
147.04430	6.1
147.07985	3.2
148.05222	3.4
151.03925	7.1
151.07538	25.1
153.05499	3.1
155.04900	2.7
155.07056	6.3
157.06583	2.0
159.04402	35.0
161.05986	46.0
162.03152	5.1
163.03929	22.0
163.07533	36.7
165.05418	9.7
165.09120	14.0
171.04462	4.3
172.94418	2.5
173.05931	2.2
175.03938	2.4
176.04684	20.1
177.05429	5.9
179.03476	8.2
179.07018	78.2
180.07272	2.4
181.08725	2.6
183.10231	2.1
186.03145	3.2
187.03877	26.3
189.05443	14.6
190.02609	2.6
191.07036	7.0
193.08598	17.3
199.03934	2.2
201.05423	3.4
203.03444	4.2
204.04146	13.2
205.04945	20.0
207.06525	34.8
209.65941	2.1
211.09608	19.7
214.02628	5.3
215.03398	17.8
216.04126	9.2
218.02156	3.3
219.06525	26.8
221.08072	6.1
225.07516	18.4
228.43332	2.2
229.05013	7.4
229.10689	7.1
231.02966	2.9
231.06534	2.3
232.03647	6.6
232.96260	2.8
233.04431	15.6
239.09138	4.6
243.02818	2.4
247.06039	41.9
250.97263	2.4
251.05545	1.8
252.95866	3.5
256.96494	4.8
257.04526	9.6
257.10184	10.3
260.03241	4.7
274.27469	3.7
274.97461	41.3
275.05460	53.6
275.10971	18.9
292.98511	18.5
293.06473	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	275.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61897	1.5
55.01875	12.2
56.96555	3.8
63.73191	1.3
67.05492	2.7
70.31519	2.8
70.31844	1.6
70.95901	1.6
71.04967	1.4
79.05477	13.2
81.03422	1.8
81.07066	7.0
83.01344	7.9
85.02903	100.0
91.05474	9.4
93.07005	4.2
95.04956	4.9
95.08597	3.9
98.55926	1.4
98.97585	32.7
103.05473	7.1
105.03408	1.9
105.07027	46.2
107.04948	5.9
107.08628	2.5
109.02888	4.4
109.06517	4.2
115.05456	15.8
116.98624	18.8
117.07003	8.1
119.04935	5.3
120.05685	1.5
123.04433	4.8
123.08070	5.7
125.05991	28.5
131.04929	31.5
132.05609	1.7
133.06494	53.2
134.03662	1.7
134.06989	1.8
134.99652	6.0
135.04445	1.6
135.08054	12.6
137.05980	9.7
137.09630	1.5
139.07578	2.7
143.04921	8.5
145.06499	8.2
147.04388	8.0
147.08054	2.0
148.05182	3.1
150.03079	1.9
151.03905	5.1
151.07552	26.0
153.05450	2.2
155.07045	11.6
158.03638	2.7
159.04413	35.3
160.04933	2.7
161.05971	52.8
162.03116	3.9
162.06371	2.1
163.03900	20.8
163.07538	34.0
165.05443	8.7
165.09113	9.9
171.04401	3.8
173.05920	1.8
175.07494	1.7
176.04657	15.4
177.05444	8.2
179.03435	6.8
179.07018	70.6
180.07309	2.4
181.08624	2.5
186.03091	4.4
187.03893	26.5
189.05464	15.8
191.07042	8.3
193.08594	21.8
197.08064	3.0
200.47461	1.9
201.05580	2.4
203.03438	3.4
203.07080	1.7
204.04170	14.5
205.04938	16.8
207.02814	3.6
207.06509	43.0
211.09645	19.2
214.02628	2.8
215.03430	14.8
216.04196	10.6
219.03218	1.7
219.06525	22.9
221.08018	4.2
225.07576	20.3
229.04980	6.5
229.10738	5.2
231.02852	2.2
231.06494	2.9
232.03665	6.6
233.04443	15.4
239.09134	8.0
243.03018	3.6
245.74541	1.8
246.05069	1.9
247.06026	40.1
250.97667	1.6
251.05568	2.1
256.96405	3.6
257.04282	7.4
257.10193	14.4
260.03156	6.1
274.27457	3.7
274.97501	22.4
275.05469	54.5
275.11288	4.0
275.14008	1.7
276.05707	3.3
292.98541	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	0.8
55.01869	2.9
55.05266	0.8
55.05510	9.8
57.07080	0.8
64.98667	0.4
67.05162	0.9
67.05502	12.4
69.03430	0.5
69.07064	8.1
69.27077	0.6
69.68021	1.9
71.04985	1.9
77.00889	0.8
77.03938	0.9
79.05492	15.1
81.03407	0.7
81.07052	15.0
83.04993	2.3
83.08624	3.6
85.06535	0.7
87.43451	0.4
88.07617	0.7
91.05479	30.2
91.60123	0.4
93.07047	13.4
95.04962	3.9
95.08604	9.2
97.06525	2.4
97.10162	2.3
98.97575	0.7
103.05481	1.0
105.07029	44.4
106.07380	0.9
106.08685	0.5
107.04955	3.0
107.08587	13.2
107.09264	1.1
109.06516	1.7
109.10159	4.0
109.84852	0.5
111.08053	1.3
115.05430	0.7
117.07014	8.2
119.08581	25.7
121.06490	2.1
121.10142	5.1
123.08076	1.5
123.11655	1.1
124.18512	0.6
125.09610	1.2
129.07040	1.2
130.07779	0.9
131.08568	10.9
132.09299	0.5
133.06407	0.6
133.10124	26.2
135.08090	2.8
135.11687	3.4
137.09583	1.3
141.06987	0.8
143.08553	2.2
145.10123	10.9
146.10809	0.7
147.08119	0.8
147.11682	19.3
149.09615	5.7
151.11227	1.2
155.08475	0.9
157.10153	2.9
159.11684	6.0
161.09656	1.4
161.13266	4.8
163.11223	3.8
165.09070	1.5
167.10587	0.6
169.10146	1.9
171.11740	2.0
173.13214	4.1
175.11246	1.2
175.14804	1.1
177.12733	0.7
178.22023	0.5
181.12251	0.5
183.11699	1.8
185.13371	0.5
187.11171	1.1
187.14827	1.1
189.12680	0.6
193.12299	0.7
197.10188	1.1
197.13222	2.5
199.14813	0.6
201.12738	1.0
205.12253	0.6
209.26213	0.5
211.14670	0.9
215.11349	2.7
215.17920	1.1
229.19582	1.9
233.12347	0.7
233.15370	0.7
233.18950	1.1
239.17897	2.7
247.20578	2.3
253.12857	3.7
257.19022	9.1
258.19095	0.6
271.13898	4.1
275.20050	100.0
275.27771	2.2
276.14066	0.5
276.20499	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03932	3.0
55.01868	4.8
55.05506	13.0
57.03427	1.8
57.07069	2.5
62.77833	0.5
65.03931	1.4
66.14563	0.6
67.05500	24.7
69.03428	2.0
69.06718	0.8
69.07067	9.6
69.70565	2.0
70.06593	0.8
71.04991	2.9
71.08642	0.8
77.03944	0.7
79.05490	20.7
81.03416	8.2
81.07054	23.5
83.04977	3.9
83.08619	7.1
85.06537	2.6
88.07619	0.9
91.05478	24.9
93.07042	22.5
95.04962	7.9
95.08601	21.0
95.09219	0.9
97.06529	3.0
97.10183	2.1
99.08113	1.0
103.05453	0.8
105.04529	1.2
105.07025	27.0
106.07363	0.8
107.04954	15.3
107.08588	14.1
109.06499	4.6
109.10162	7.5
111.08067	1.3
113.96428	0.7
115.05450	1.1
117.07013	7.3
119.08578	18.5
121.06494	13.0
121.10151	9.2
123.04419	3.0
123.08059	11.5
123.11694	1.7
129.07008	3.1
130.07767	0.8
131.08559	10.0
133.06473	2.0
133.10127	20.5
134.53180	0.6
135.08043	6.3
135.11687	5.3
137.09633	3.8
141.07002	0.7
143.08554	3.0
145.06461	1.0
145.10121	10.3
147.08029	4.1
147.11676	11.2
149.09610	6.3
149.13251	2.1
151.11217	2.7
155.08591	1.1
157.10110	2.1
159.08025	1.3
159.11684	7.6
161.09599	2.2
161.13231	4.7
163.11171	6.9
163.14799	1.7
165.09096	5.3
169.10100	0.8
171.11679	2.2
173.09602	1.6
173.13264	4.1
175.11186	2.1
175.14824	1.4
177.12744	4.6
179.10663	0.7
183.11707	2.1
185.13219	0.9
187.11169	2.0
187.14696	1.3
189.12648	1.5
191.10631	0.8
191.14322	2.0
193.12172	0.7
197.13274	2.3
201.12766	1.0
203.14159	0.6
205.12175	1.0
211.15063	0.7
215.14323	1.6
215.17877	1.1
215.85909	0.6
219.13773	1.2
229.19478	3.7
233.19084	0.6
239.17955	4.3
247.20595	4.0
257.18973	10.8
262.61237	0.7
274.27264	0.9
275.20053	100.0
275.27737	7.2
276.20398	3.6
297.75214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2371
Annotation	4,5-(methanoxy-2-methylethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.80549	0.2
55.01856	0.5
55.04927	0.3
55.05502	1.6
57.07078	0.6
67.05508	3.5
69.03417	0.3
69.07068	3.0
70.69962	0.4
77.03960	0.2
79.05488	0.7
81.07055	5.9
83.08640	1.3
84.76679	0.2
91.05466	1.4
93.07054	2.8
95.04988	0.7
95.08607	8.4
97.06532	2.5
97.10176	0.7
105.07040	0.7
107.08585	1.8
109.06512	0.8
109.10161	4.5
111.08081	100.0
112.08404	1.8
119.08571	1.3
121.10123	1.1
123.08069	35.3
123.11697	5.1
124.08429	0.8
125.09633	0.6
125.13314	0.3
133.10147	1.1
135.11688	0.8
137.09616	27.1
137.13243	2.2
138.09961	0.6
145.10130	0.5
147.11690	0.8
149.13239	0.9
151.11162	2.0
151.14929	0.4
159.11636	0.4
161.13258	0.5
163.14854	0.4
165.12764	0.6
173.13243	0.7
175.14842	0.5
177.16394	0.2
187.14809	0.4
201.16306	0.3
219.71692	0.3
229.19423	0.6
257.22641	3.1
261.14627	0.2
275.23694	25.7
276.23993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2372
Annotation	4,5-(methanoxy-2-methylethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
51.72702	0.1
53.00247	0.1
53.03928	0.2
55.01872	0.4
55.05512	1.9
57.03450	0.3
57.07080	0.8
63.18821	0.1
65.03922	0.2
67.05157	0.3
67.05503	3.9
69.03429	0.3
69.07066	3.2
69.26639	0.6
71.08604	0.2
79.05486	1.4
81.07056	6.9
83.04981	0.4
83.08618	1.5
91.05476	2.3
93.06448	0.2
93.07045	4.3
95.04982	1.0
95.08607	8.9
96.08957	0.1
97.06528	2.9
97.10146	0.7
99.04526	0.1
105.07030	2.5
107.04979	0.3
107.08590	2.5
109.06522	1.2
109.10159	4.3
111.08080	100.0
112.08418	1.6
117.07024	0.2
117.54960	0.1
119.08576	2.3
121.06474	0.2
121.10146	1.7
122.07274	0.3
123.08067	34.2
123.11689	4.6
124.08368	0.8
125.09637	0.7
125.13256	0.6
131.08554	0.5
133.10141	1.7
135.11688	1.3
137.09613	27.9
137.13210	2.2
138.09962	0.5
145.10121	0.6
147.11690	1.2
149.09581	0.4
149.13284	1.0
151.11177	2.2
151.14810	0.4
153.12802	0.1
159.11685	0.5
161.13239	0.9
163.11165	0.2
163.14835	0.5
165.12738	0.5
165.16270	0.2
169.27553	0.1
173.13234	0.4
175.14832	0.4
177.12779	0.1
177.16339	0.3
179.14275	0.2
187.14798	0.4
191.14195	0.2
201.16380	0.4
203.14377	0.2
205.15900	0.1
215.18024	0.2
217.19478	0.2
219.17436	0.7
229.19524	0.5
257.19138	0.3
257.22644	2.7
275.20181	2.6
275.23676	23.3
276.21021	0.2
276.24045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2371
Annotation	4,5-(methanoxy-2-methylethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
55.01862	0.5
55.05503	1.9
57.07067	1.1
65.14777	0.3
67.05502	3.2
69.07060	3.9
69.43996	1.1
71.12756	0.2
79.05481	1.3
81.07055	7.3
81.07507	0.6
83.04993	0.4
83.08607	1.3
91.05495	1.2
93.07045	3.8
95.04951	1.1
95.08605	9.3
95.77269	0.3
97.06533	2.7
97.10158	0.9
98.23504	0.4
100.47576	0.3
105.07023	1.9
107.08581	2.5
109.06517	0.9
109.10161	4.0
111.08079	100.0
112.08418	1.6
119.08582	1.9
121.06490	0.3
121.10146	1.5
122.07301	0.3
123.08068	35.3
123.11697	5.6
124.08377	0.3
125.09637	1.1
125.13247	0.5
127.47379	0.3
129.96474	0.2
131.08568	0.6
133.10123	1.5
135.11687	1.0
137.09612	25.5
137.13220	2.3
138.09894	0.5
141.33698	0.3
145.10118	0.7
147.11679	0.7
149.09573	0.4
149.13292	1.2
151.11189	2.2
151.14844	0.5
159.11684	0.7
161.13240	0.6
163.14867	0.5
165.12721	0.6
173.13289	0.6
177.16368	0.4
187.14842	0.6
191.14313	0.3
200.78778	0.3
201.16362	0.3
205.15785	0.3
229.19603	0.8
257.22650	3.7
275.05011	0.4
275.23691	29.4
275.27554	1.6
276.24158	1.3
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
52.21340	0.3
56.96562	7.0
57.93505	0.4
65.78778	0.4
69.14207	1.8
71.95244	0.7
74.12807	0.4
88.84872	0.5
98.97581	100.0
99.97928	0.4
100.97189	0.5
101.00883	0.7
115.09643	0.4
116.98620	48.7
119.01924	2.0
133.03566	0.4
134.99655	15.2
140.00232	0.5
153.00703	1.2
154.02000	0.4
157.03426	0.6
163.03877	0.9
175.04532	0.6
177.00948	0.5
179.00690	1.2
192.94827	0.8
205.02309	2.0
210.95874	1.0
221.01686	0.5
222.22092	0.4
234.95926	1.2
234.99763	1.1
235.03145	0.4
235.06686	0.9
240.98685	4.5
247.03165	0.5
252.96941	1.5
258.99756	63.2
259.99908	3.1
276.97360	3.2
277.00809	70.5
277.04138	3.0
277.07278	7.6
278.00998	3.5
282.01221	1.1
294.98248	2.6
295.01657	0.7
295.05426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45204	5.9
59.49445	7.2
66.23373	6.5
69.72877	23.8
88.27703	6.8
91.56963	9.2
98.97577	12.3
101.00866	17.6
105.81290	6.5
109.02886	7.8
115.03892	9.2
119.01973	19.4
135.78914	7.0
157.03404	12.8
161.02995	17.8
189.75368	7.7
235.06682	9.2
277.00894	8.7
277.03232	65.4
277.07333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72483	8.7
56.96565	7.6
59.13605	6.7
70.69049	9.1
76.23944	7.8
98.23436	8.0
98.97587	72.9
99.19035	7.0
116.98619	17.4
119.15338	7.3
140.98729	7.3
208.11203	7.9
258.99814	10.8
276.97824	17.1
277.00754	16.8
277.03223	47.3
277.06888	100.0
294.98380	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	277.1799
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.01882	4.1
55.05509	9.1
56.05827	0.9
57.07073	6.6
65.03926	1.8
65.13083	0.8
67.05503	5.4
68.99785	3.0
69.03438	1.4
69.07064	6.1
71.08612	1.7
79.00837	0.8
79.05476	3.3
81.03409	0.8
81.07053	6.8
83.04953	2.1
83.08612	1.6
85.10174	5.6
91.05469	9.5
93.07037	2.7
95.04964	4.2
95.08604	5.3
97.02895	1.3
97.10136	0.9
102.43243	0.8
103.05465	1.3
105.03378	0.9
105.07020	9.9
107.04958	2.8
107.08559	1.1
109.06502	2.5
109.10191	1.3
111.04433	11.4
113.09621	3.2
115.05452	8.9
117.07024	2.7
119.04931	22.1
119.08583	3.3
121.02808	0.8
121.06492	2.6
123.04423	16.2
128.06235	1.0
129.07010	4.6
131.04906	1.4
131.08578	1.5
133.06487	36.2
133.10144	1.0
134.06860	1.1
135.08046	1.3
137.05962	5.6
139.03893	53.1
143.04887	2.9
143.08473	1.0
145.06474	3.1
147.04401	27.6
147.08043	22.2
149.05954	5.1
151.03888	3.1
151.07532	2.7
153.05466	4.5
153.06581	0.8
157.06476	2.1
157.10143	1.7
159.08006	1.1
160.05148	2.8
161.05968	44.6
161.09589	2.5
163.07556	10.8
165.05469	65.6
167.07036	2.6
171.08121	1.5
173.09659	1.2
174.06818	0.8
175.07526	13.2
177.09146	1.2
179.07025	100.0
180.07408	2.5
185.09615	1.3
189.09105	6.5
193.08687	5.0
193.10132	0.8
195.90062	0.7
197.43829	0.8
203.10655	2.5
207.10136	1.3
213.16310	1.2
231.17430	8.8
241.15883	1.9
249.18462	3.6
259.16940	35.5
260.17380	2.2
277.17981	50.8
278.18393	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02357	0.9
53.03948	16.4
55.01877	8.1
55.05260	1.3
55.05511	25.5
57.03424	3.1
57.07077	49.0
59.05001	1.1
65.03941	2.6
67.05505	59.3
68.05824	0.9
69.03416	3.2
69.07066	33.8
71.04987	2.7
71.08630	9.4
77.03907	1.2
79.05492	42.0
81.03419	65.8
81.07057	53.3
83.04983	15.7
83.08624	9.7
85.06534	3.8
85.10183	2.0
91.05480	31.3
93.07047	48.9
95.04967	41.2
95.08604	21.7
95.65414	0.9
96.08925	0.9
97.06546	4.8
97.10171	4.5
99.08077	6.5
103.05470	1.2
104.99294	1.4
105.04488	2.0
105.07024	25.7
107.04952	3.7
107.08591	31.0
109.06512	8.7
109.10152	17.1
111.08085	3.2
113.09669	2.2
117.07022	6.6
118.07806	7.8
119.08582	18.0
121.06497	9.8
121.10129	11.2
123.08068	3.0
123.11703	5.3
125.09622	7.3
129.06998	2.7
131.08556	5.3
133.06421	0.9
133.10123	18.3
134.10504	0.9
135.08047	9.9
135.11694	9.4
137.09630	2.7
137.13235	2.0
143.08577	3.0
145.10115	2.8
147.08049	3.8
147.11687	16.0
149.09634	5.7
149.13249	9.6
150.06760	2.6
151.11180	42.3
153.09081	2.7
157.10103	2.1
159.11690	3.4
161.09613	2.5
161.13252	11.3
163.11171	2.9
163.14793	5.0
165.09090	3.3
165.12726	12.7
167.14330	1.3
171.10280	1.4
171.11664	6.0
173.13271	1.3
175.11140	2.9
175.14862	4.5
177.12691	3.0
177.16351	1.1
179.10777	1.8
179.14322	7.0
181.12155	0.9
184.38454	1.1
185.13243	2.8
189.12743	1.6
189.16420	1.0
193.12267	2.1
199.14838	2.5
207.13797	4.3
215.17947	0.9
217.19505	3.1
221.15350	2.7
230.88861	0.9
231.21085	8.2
233.19048	11.1
235.16859	1.0
241.19495	3.2
249.22096	4.9
259.20566	7.9
277.21625	100.0
278.22040	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	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03944	1.9
53.91055	0.8
55.05510	17.6
57.07077	4.0
62.06690	0.8
65.03936	1.4
67.05502	36.8
69.07066	14.8
69.15855	5.3
71.04979	2.2
73.06576	1.0
77.03939	2.0
79.05491	75.8
80.05846	0.9
81.07055	37.9
83.04967	2.6
83.08619	8.6
85.06541	2.2
91.05481	29.8
91.06054	1.1
92.81633	0.8
93.07041	100.0
94.07361	2.1
95.04987	7.9
95.08604	26.3
95.09215	1.3
97.06525	2.3
97.10178	4.7
104.99276	11.2
105.04511	3.8
105.07025	17.0
107.08592	50.7
108.08949	1.6
109.06489	2.1
109.10149	14.6
111.08101	1.2
115.05433	1.0
117.07011	2.4
119.08576	11.2
121.10137	42.8
122.51330	1.2
123.11698	3.5
125.09618	1.8
129.07016	1.8
131.08582	3.3
133.10120	13.2
135.08070	3.4
135.11687	60.8
136.12015	1.1
137.13277	0.8
139.11185	1.0
143.08591	2.4
145.10133	3.8
147.11685	8.0
149.09561	1.5
149.13246	25.8
151.11188	1.0
157.10168	2.1
159.11688	3.8
161.13286	4.1
163.11191	1.4
163.14804	7.1
167.10648	1.2
171.11736	3.0
173.13301	2.4
174.89365	0.9
175.11241	1.0
175.14793	2.0
177.12863	0.9
177.16425	1.2
181.12218	1.4
185.13266	2.2
185.79224	0.8
189.12764	1.6
193.12216	1.0
195.13753	2.8
199.14828	2.3
203.14325	1.2
207.13861	2.3
213.16302	1.8
217.15970	0.9
221.15384	3.5
235.16925	3.9
241.19371	2.3
259.20560	3.6
277.21625	87.4
278.21967	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03939	2.8
55.01863	3.9
55.05509	20.2
57.03424	1.6
57.07084	4.9
59.04995	0.9
63.25299	0.9
65.03931	2.8
67.05504	45.4
68.28521	1.0
69.06715	1.3
69.07069	17.9
69.68304	2.6
69.68653	1.2
71.04980	1.9
71.08628	35.9
77.03913	1.8
79.05492	61.9
80.05810	1.2
81.03408	6.6
81.07056	56.3
82.07369	1.1
83.04988	7.3
83.08624	8.6
85.06538	3.1
91.05474	30.3
91.23576	0.8
93.07043	93.6
94.07393	2.0
95.04964	10.6
95.08604	39.8
97.06528	5.2
97.10183	3.3
99.08092	24.5
104.99286	5.4
105.04524	3.5
105.07028	22.4
107.04948	5.3
107.08590	55.2
108.08973	0.8
109.06522	4.0
109.10156	12.8
111.05189	0.9
111.08071	2.5
113.09633	1.5
117.06997	4.5
119.06075	1.2
119.08574	12.0
121.06485	1.3
121.10141	46.7
121.91801	1.0
123.08061	2.3
123.11710	2.0
129.07033	2.0
131.08545	5.6
133.10126	11.4
135.11691	58.2
136.12064	2.6
137.09610	3.8
137.13217	1.5
141.09088	2.9
143.08595	1.8
145.10147	4.8
147.08052	1.0
147.11705	8.1
149.13243	19.3
151.11182	13.8
153.12651	0.9
157.10159	1.9
159.11687	3.5
161.09653	1.3
161.13254	11.7
163.11169	5.4
163.14815	5.2
165.12755	1.5
167.10707	3.4
171.11644	2.1
173.13315	1.1
175.14859	2.2
177.12724	3.2
179.14305	44.4
180.14645	1.5
181.12172	1.5
185.13214	1.7
189.12737	2.0
195.13820	2.9
199.14870	1.1
207.13770	1.3
213.16338	1.6
219.66966	1.2
221.15308	5.2
231.21060	1.0
235.16963	2.3
241.19530	2.1
259.20660	5.6
266.17255	0.9
277.21619	100.0
278.21844	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.84228	1.0
52.86009	1.1
53.03926	3.4
55.01866	1.3
55.05513	18.6
57.07074	2.7
59.05004	1.6
67.05167	2.0
67.05506	35.7
69.07071	15.2
69.73027	3.9
71.04994	2.9
77.03944	2.1
77.91768	1.1
79.05496	65.6
80.05809	1.2
81.07057	35.1
83.08623	7.9
85.06547	2.8
87.69326	1.1
91.05476	27.7
93.07046	100.0
95.04968	7.5
95.08031	1.6
95.08611	24.3
95.09209	1.6
97.06525	2.4
97.10152	3.8
104.99262	2.8
105.04491	3.9
105.07019	15.4
107.08595	45.8
109.06532	2.7
109.10157	13.4
111.08087	1.1
117.07021	3.3
119.08569	12.3
121.10145	38.0
123.08058	1.6
123.11703	4.1
125.09631	1.4
129.06978	1.5
131.08553	3.5
133.10135	14.9
135.08096	1.4
135.11694	52.4
143.08549	1.4
145.10121	3.6
147.07997	1.1
147.11697	9.2
149.09631	1.6
149.13252	24.7
157.10124	2.8
159.11670	2.6
161.13232	5.0
163.11192	1.3
163.14841	7.1
167.10654	1.4
171.11650	3.4
173.13242	3.4
175.14807	2.2
176.58224	1.2
179.10608	1.3
185.13248	2.5
189.12720	2.1
195.13828	4.0
199.14851	1.9
205.90088	1.1
207.13911	3.8
211.31779	1.0
213.16374	2.2
216.60202	1.3
219.74442	1.1
221.15320	2.8
235.16997	3.5
241.19447	2.0
247.61702	1.2
259.20566	4.5
277.21628	82.9
278.21933	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	278.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
56.96572	1.0
57.07074	10.3
58.97426	0.6
65.03928	1.0
69.03436	0.9
71.44463	0.9
81.03416	100.0
82.03747	1.6
85.02899	2.7
86.56194	0.7
91.05489	0.9
95.04919	1.0
97.02934	0.7
98.97587	5.9
99.04450	0.8
104.99266	1.8
113.89639	0.6
116.98618	3.5
119.04943	1.6
121.02875	3.7
123.04415	1.0
128.98615	1.1
133.06450	0.8
134.99658	1.5
147.04405	5.7
149.02336	96.7
150.74310	0.6
158.99672	2.3
167.03407	1.0
177.00703	2.8
179.07019	2.5
187.45190	0.7
189.00661	0.8
192.99557	0.7
203.58549	0.7
203.87646	0.6
205.08522	0.8
225.07683	1.0
243.08762	1.5
254.95863	0.8
278.99878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74673	0.5
54.58749	0.5
55.05513	0.8
56.05042	3.8
57.06820	0.8
57.07076	6.9
58.06602	7.0
59.05022	0.5
60.04521	1.9
65.10490	0.5
67.05492	0.9
68.05009	0.6
69.07062	0.9
69.77937	1.1
70.06577	0.7
71.08630	1.8
72.08145	1.4
74.06082	4.0
79.05495	1.0
81.03450	0.7
81.07049	0.9
83.04974	0.7
83.08614	0.9
86.06083	4.2
87.04473	0.6
88.07632	28.0
91.05467	1.4
93.04746	0.4
93.07034	1.2
95.08607	0.9
97.06559	0.6
98.06070	2.6
99.06886	0.7
100.07613	1.5
104.07102	4.4
105.07001	0.8
105.38861	0.5
107.08589	1.3
115.19118	0.5
118.08635	0.7
121.02852	1.6
121.10151	0.8
131.08615	0.6
132.10204	6.0
147.11713	1.1
149.02345	28.7
149.09636	0.6
154.15820	0.6
157.10115	0.5
162.11296	2.1
166.10744	3.4
167.10530	0.6
169.37843	0.5
175.11203	0.8
186.18533	35.4
187.18898	0.8
193.12157	2.6
198.18613	0.9
208.39774	0.4
211.13309	8.0
230.21165	13.8
252.05522	0.5
260.13043	0.5
260.22223	1.3
261.14233	0.5
278.23303	100.0
279.15707	0.6
279.23618	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	278.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73482	0.3
53.03951	0.4
53.78092	0.3
55.01877	0.3
55.05260	0.7
55.05514	8.9
57.07069	1.5
58.06604	9.5
62.01553	0.3
65.03933	0.5
65.45332	0.3
67.05507	17.4
68.05834	0.9
69.07069	5.4
69.61286	0.3
69.82085	0.9
70.07381	0.5
72.08150	0.7
78.66579	0.3
79.05499	4.0
80.05816	1.2
81.07059	16.3
82.07377	1.2
83.08630	2.8
84.08149	0.3
91.05476	1.1
92.05846	0.7
93.07043	5.7
94.07383	2.1
95.04961	0.6
95.08610	14.0
96.05302	0.5
96.08934	1.0
97.10154	1.1
98.09682	0.7
104.99252	1.6
105.07028	0.9
106.07368	0.9
107.08608	2.5
108.08919	1.1
109.10164	4.5
110.10493	0.4
119.08567	0.6
120.08936	0.7
121.10133	1.1
122.10448	0.6
123.11684	1.1
133.10129	0.4
134.10468	0.5
135.11702	1.0
136.12021	0.9
148.12030	0.4
149.01236	0.5
149.02359	7.7
149.13297	0.4
150.13617	0.9
162.10008	0.3
164.15167	0.3
192.91629	0.3
208.20665	0.4
232.21323	0.4
260.20953	0.8
266.26236	0.3
278.22125	9.6
278.28427	100.0
279.28772	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	278.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51190	0.7
55.05265	0.8
55.05505	6.6
57.07076	3.2
58.06598	9.6
65.03932	1.2
67.05497	16.5
69.07066	5.4
72.08127	0.7
79.05506	3.3
80.05807	0.8
80.60110	0.6
81.07053	17.7
83.08601	2.8
87.84811	0.6
89.78731	0.6
91.05459	0.7
93.07049	1.8
95.08604	17.1
97.10169	0.9
98.97527	0.7
104.99271	5.1
107.08611	0.7
109.10150	5.5
121.02897	0.9
121.10144	0.7
123.11742	2.0
139.07477	0.6
149.02338	25.7
158.22932	0.6
267.18954	0.7
278.21277	3.6
278.28412	100.0
279.09366	1.3
279.28720	5.4
290.80389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36654	2.8
57.07073	4.1
58.42503	2.7
59.61713	3.0
69.03432	5.4
82.06570	3.8
84.08142	6.5
84.91201	7.5
85.02911	8.7
98.97595	12.6
103.00641	11.5
116.98666	4.6
121.01685	12.5
127.03921	3.6
135.03192	3.1
137.79871	3.3
139.02666	2.7
146.08133	5.1
149.02359	32.1
154.04712	3.0
158.02426	4.6
158.99576	4.3
159.03244	10.5
177.00777	4.2
177.04198	4.3
182.54916	4.6
187.02689	6.5
201.04327	3.1
237.06482	13.4
255.07492	4.9
277.07782	20.8
279.04749	90.9
279.07617	100.0
283.60709	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05505	3.0
55.93333	0.8
57.03434	11.8
57.07083	6.1
59.05001	2.4
59.09910	0.9
61.02920	3.1
63.65219	0.8
67.05500	1.4
67.22627	0.9
69.03423	15.1
69.41219	1.8
69.41609	1.9
71.01352	2.3
71.04989	18.9
73.02914	14.0
75.04476	11.5
83.04976	9.6
85.02902	100.0
87.04477	3.3
95.04958	1.5
97.02888	21.3
99.04440	1.9
103.03963	1.5
111.04439	5.7
112.87077	0.8
113.02341	1.1
115.03933	23.1
121.02898	1.5
122.97268	0.9
127.03901	2.6
129.05479	20.9
133.04965	3.2
137.05934	1.2
139.03862	4.9
147.06516	15.2
149.02338	43.9
165.07529	1.4
171.06543	3.9
188.95407	0.9
195.06531	1.2
207.06534	1.3
225.07558	3.8
243.08569	3.3
279.10825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16763	1.2
55.01869	2.6
55.05516	5.2
57.03439	15.1
57.07084	9.2
59.85155	1.1
61.02911	4.5
65.03940	1.1
67.05508	2.7
68.05862	1.3
69.03420	19.2
69.29965	5.4
69.44949	1.0
71.01347	4.9
71.04988	20.0
71.81744	1.0
73.02915	16.4
75.04472	9.5
79.05481	1.1
80.10922	1.1
81.07053	1.9
83.04989	11.2
85.02904	100.0
87.04459	4.5
95.04958	1.3
95.08627	1.3
97.02898	19.9
99.04455	2.2
101.06017	1.3
104.99279	1.8
111.04463	8.5
113.02303	1.4
115.03935	24.5
121.02846	3.6
123.04424	1.1
127.03915	2.4
129.05475	23.7
133.04955	1.4
139.03900	4.3
147.06523	13.4
149.02338	74.3
157.04959	2.6
159.06641	1.4
165.07681	1.3
167.03371	1.6
171.06555	3.6
195.06403	1.4
219.05724	1.9
225.07568	5.1
243.08667	2.4
278.24881	1.5
279.10696	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03951	1.1
55.05510	8.3
55.13055	0.4
57.03446	0.8
57.07073	4.0
60.42448	0.4
65.03951	2.5
65.54552	0.4
67.05503	99.2
68.05825	0.9
69.07067	9.3
69.60840	1.1
69.61198	1.0
71.04985	1.5
79.05489	10.8
81.07056	100.0
82.07372	1.5
83.04967	1.1
83.08622	6.1
85.06525	1.2
87.04435	0.7
91.05471	3.6
93.07040	11.3
95.04971	0.9
95.08604	80.7
96.08925	1.2
97.06534	1.5
97.10155	3.4
99.08076	0.8
101.06034	0.6
104.99264	3.1
105.07034	2.6
107.08601	7.6
109.06535	0.9
109.10155	47.4
110.10540	0.6
111.08072	0.5
111.11700	1.0
117.07042	1.3
118.98438	0.5
119.08565	2.7
119.30706	0.5
120.48677	0.4
121.02876	1.0
121.06496	0.5
121.10139	5.5
123.08074	1.8
123.11707	24.6
124.11957	0.6
124.96103	0.5
127.07592	0.7
131.08565	2.9
131.66875	0.5
133.10167	3.0
135.08029	1.2
135.11678	4.9
137.09615	1.3
137.13246	9.6
139.11185	0.6
145.10109	2.8
147.11691	2.1
149.02342	19.6
149.09631	1.4
149.13246	3.2
151.11203	0.8
151.14792	3.6
153.09151	0.6
155.10652	0.6
159.11681	1.6
161.13248	1.8
163.11189	1.4
163.14848	1.4
165.12714	0.7
165.16396	0.9
167.03467	0.7
167.10672	1.3
173.13257	3.3
177.12794	1.4
177.16423	1.0
179.14302	0.9
181.12222	1.2
187.14833	2.9
191.14325	1.0
195.13860	1.7
201.16284	0.6
205.15866	1.1
209.15396	3.5
219.05630	1.0
219.21242	0.6
223.16995	3.4
237.18567	1.3
243.21034	3.2
261.22092	4.8
279.09421	1.0
279.23172	54.4
280.23505	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	280.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09784	0.8
56.96559	41.2
57.07063	2.2
58.07375	1.2
70.17549	1.9
71.95277	1.6
72.22237	0.9
83.97633	1.7
84.05724	1.0
84.11048	0.9
98.97582	61.9
99.97920	1.4
102.96896	1.0
110.97546	1.4
113.99947	1.0
116.98617	27.1
122.06738	0.9
132.99583	2.2
134.99651	6.9
147.01228	0.9
147.98322	2.4
149.02336	10.1
150.02614	7.8
151.00687	12.4
163.00665	2.8
165.02235	10.3
165.99405	9.1
168.61586	0.9
169.01741	14.8
174.02216	2.3
177.00771	1.2
181.01697	1.8
183.03288	19.1
184.00447	12.3
187.02751	6.8
192.03322	40.9
192.21837	0.9
194.04890	37.4
197.01132	1.1
199.02722	1.5
201.04341	10.6
202.01669	2.6
206.01256	7.1
208.02840	2.0
210.04382	18.9
212.05945	29.8
220.02806	8.3
224.02309	13.6
228.05438	1.5
235.02809	9.7
238.03854	69.5
239.04333	1.8
242.03404	5.1
253.03865	7.5
256.04922	100.0
257.05328	2.2
274.05881	4.5
280.04913	43.7
298.05942	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	280.0817
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
55.01876	0.3
55.05523	0.2
57.07076	1.4
58.07408	0.3
63.76668	0.2
65.03928	0.5
67.21872	0.2
69.92635	0.4
69.92970	0.2
71.01368	0.5
71.04988	0.4
79.05486	0.5
81.03400	1.2
83.04965	0.4
85.02915	0.4
86.06018	0.2
91.05476	10.1
92.05807	0.3
93.07038	0.5
95.04970	0.3
97.02890	0.8
97.06517	0.4
98.23384	0.3
101.06009	0.8
103.05437	0.5
105.07023	0.5
107.04964	0.2
109.02837	0.3
111.04443	0.2
117.07030	0.6
119.04938	25.9
120.05264	0.6
121.02862	0.3
121.06512	0.6
122.03145	0.3
133.02823	0.3
135.08046	0.3
136.06197	0.4
146.03636	0.3
147.04399	100.0
148.04723	2.3
149.02330	7.8
149.05949	0.3
150.02652	6.4
151.03908	1.5
153.05464	0.6
161.06036	0.2
163.07529	1.2
164.04659	0.3
165.05441	0.6
167.03360	0.3
167.07047	3.7
174.03128	0.4
175.03909	2.3
178.02554	0.9
179.03401	2.0
179.07008	0.4
181.08575	1.3
189.05449	0.4
191.03355	0.2
192.04143	0.7
193.04944	1.7
195.02859	0.5
197.04448	4.1
199.09659	0.4
202.02608	0.5
205.04843	0.3
207.06491	1.0
209.08110	1.5
217.04933	0.4
219.06505	0.5
220.03574	0.3
221.04410	0.5
227.03398	0.2
227.09135	6.4
230.02101	0.4
235.06012	1.9
245.04486	1.3
263.05502	7.5
280.11240	0.3
281.06415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82277	0.9
53.03949	1.4
55.01863	1.9
67.05499	2.0
69.03445	1.0
70.94810	1.0
71.04990	4.4
77.03889	1.0
79.05483	6.1
81.03408	14.9
81.03838	1.3
81.07057	1.5
81.25612	0.8
85.02895	6.2
91.05482	5.7
93.07052	6.0
95.04952	4.8
97.02892	1.9
97.06539	5.8
103.05468	6.5
105.07031	7.3
107.05005	1.0
107.08572	2.4
109.06526	1.6
113.06023	2.5
117.07020	6.5
119.04893	1.6
121.06496	10.1
131.05002	1.3
135.08052	8.4
137.05925	1.1
139.07553	1.7
141.05475	2.6
147.04419	2.0
149.02342	3.9
149.05986	6.0
150.02699	4.0
153.09084	2.0
163.07518	16.7
167.07033	52.2
168.07359	1.4
175.03960	1.5
179.03410	1.1
181.08585	21.5
191.07082	1.1
192.04121	1.0
197.04431	1.9
199.09676	5.0
209.08075	28.4
227.09125	100.0
228.09534	2.9
244.51096	0.9
245.10222	2.1
263.05569	3.4
273.08798	1.1
300.23792	0.8
303.79382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01868	1.6
67.05509	2.1
69.03426	0.8
69.59248	1.6
69.59659	2.6
70.43949	0.8
70.44353	0.7
71.05001	3.7
73.02998	0.7
79.05485	4.1
80.52920	0.8
81.03417	13.1
81.07043	1.4
85.02898	5.7
87.04436	0.9
88.71966	0.7
91.05493	5.1
93.07047	4.6
95.04975	3.3
97.02892	1.8
97.06541	5.7
98.22771	1.5
103.05468	4.4
105.07024	7.6
107.08601	2.1
109.06526	2.1
113.06030	1.9
113.32357	0.7
117.07017	10.1
119.08597	0.8
121.06505	10.1
135.08055	8.3
137.06000	1.2
139.07526	1.8
140.89479	0.9
141.05472	1.5
145.06493	2.0
147.04446	1.5
149.02335	5.8
149.05972	5.9
150.02687	4.8
153.09077	1.3
163.07539	14.6
167.07042	47.8
168.07301	0.9
181.08601	21.8
191.07161	0.9
195.33725	0.8
197.04552	1.1
199.09723	4.2
209.06149	1.3
209.08092	26.2
227.09140	100.0
228.09459	3.0
245.10255	1.6
245.22778	0.9
263.05493	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	280.1907
Annotation	Lycoposerramine P
Peak:m/z	Relative Intensity
55.01869	5.9
55.05508	3.9
57.07074	3.9
59.50826	1.0
62.15545	1.2
67.05500	3.2
69.03413	6.0
69.07082	6.1
70.06596	9.3
71.43167	1.3
79.05492	14.7
81.07053	6.6
86.06064	58.0
87.04452	1.6
91.05468	7.4
93.07039	42.0
94.79768	1.2
95.04971	2.5
95.08636	3.4
95.28255	1.1
97.06519	4.4
98.06049	57.3
104.07076	1.2
104.99323	2.8
105.04541	1.4
105.07037	3.9
107.04971	2.6
107.08591	24.6
109.06525	1.5
109.10178	1.5
115.05458	1.1
117.07025	3.0
119.08569	3.2
121.06506	4.2
121.10150	5.1
131.08551	4.3
133.10135	2.1
135.08046	13.4
135.11685	42.0
144.09389	1.3
148.07524	2.0
149.02327	11.6
149.09615	19.8
149.13257	4.7
150.02679	12.3
150.09076	1.3
159.11684	10.1
162.12801	1.4
162.65114	1.2
164.10738	1.9
177.12743	100.0
178.13094	2.1
190.12263	18.5
191.12944	2.0
194.15445	1.2
206.15393	8.4
215.13000	1.4
220.13350	1.3
220.16966	6.0
234.18562	5.2
244.16975	17.1
245.17494	1.2
262.18011	87.1
263.18231	2.9
280.19077	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.13632	0.4
57.07047	0.3
66.58559	0.3
67.05486	0.5
68.57777	0.3
68.99796	1.4
71.00991	0.4
71.01353	5.5
71.44174	0.3
73.02911	0.5
79.05479	0.6
81.03403	1.0
87.00818	0.3
91.05475	4.2
95.04957	1.1
97.02893	8.9
103.05474	2.1
105.03384	0.7
105.07001	0.6
107.04948	1.2
109.02854	0.9
111.04397	0.3
114.80477	0.3
115.05412	1.0
118.04140	1.9
119.04945	15.8
120.05238	0.4
120.06560	0.3
121.02859	0.8
121.06510	0.4
123.04419	1.8
131.04935	2.5
133.02855	4.7
133.06485	0.5
135.04398	1.0
136.01576	1.6
136.05251	0.5
136.06180	5.0
137.02333	0.4
137.05888	0.4
138.03088	0.8
141.05420	0.4
143.04872	0.3
145.02808	1.0
146.03612	2.5
147.04405	27.8
148.04797	0.9
148.20641	0.3
149.02342	1.3
149.05969	0.3
150.03140	9.0
151.03903	26.9
152.01027	0.7
152.04692	0.8
153.01797	1.2
153.05458	8.8
154.02576	1.0
157.02864	3.0
159.04404	2.5
161.02304	0.7
161.05960	2.4
161.52832	0.3
162.02928	1.4
162.04230	2.4
163.03902	2.4
164.04672	6.0
164.52153	0.3
165.01845	0.7
165.05486	4.5
167.03394	1.0
167.07056	1.0
171.04404	0.5
174.03127	5.2
175.03905	32.2
176.04597	1.9
177.01834	1.2
177.05426	1.5
178.02618	13.8
179.03392	25.1
179.06975	6.2
180.00574	2.5
180.03862	0.5
181.04987	0.8
182.02089	4.0
185.02319	0.8
187.03842	1.6
188.04655	0.4
189.05470	4.5
190.02602	1.1
191.03412	2.8
191.07014	0.5
192.04153	10.7
193.04959	18.7
194.02071	1.1
194.05219	0.6
195.02887	8.5
196.03163	0.4
197.04449	56.3
198.04774	1.1
199.03896	1.3
202.02602	6.1
203.03380	3.5
204.04202	1.6
205.04970	4.9
206.01973	0.7
206.05669	0.5
207.06522	20.5
208.03703	0.5
208.06804	0.6
209.04443	2.6
211.02386	0.7
211.05949	0.9
211.46254	0.4
217.04951	7.9
219.02867	1.3
219.06534	6.7
220.03673	5.3
221.04440	7.0
222.01549	0.8
223.06015	2.2
227.03384	4.3
230.02104	6.0
231.02846	2.1
233.04414	0.7
235.06006	25.7
236.06256	0.8
237.03850	1.4
245.04460	19.6
246.04716	0.8
248.03151	1.1
248.61055	0.3
263.05499	100.0
264.05826	3.5
281.06577	12.4
281.09695	0.8
281.14914	0.6
296.30722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0656
Annotation	Diaportinic acid
Peak:m/z	Relative Intensity
53.03914	0.3
55.01866	1.9
55.93250	0.2
62.35033	0.2
63.02348	0.3
65.03913	0.8
67.05486	0.6
68.99775	1.3
69.44833	0.7
71.01349	6.0
73.02874	0.4
79.05466	0.6
81.03369	0.6
83.04935	0.6
90.04685	0.4
91.05477	4.1
92.02596	0.3
93.03378	0.3
95.01288	0.5
95.04962	1.2
96.13552	0.3
97.02888	8.2
103.05465	1.6
105.03347	0.5
105.06985	0.4
107.04900	1.2
109.02825	0.7
111.04414	0.3
114.12383	0.2
115.05419	1.0
117.03364	0.3
118.04157	1.9
119.04934	16.7
120.06561	0.5
121.02868	0.7
123.04415	1.9
127.03887	0.4
130.04050	0.3
131.04926	2.2
133.02847	4.6
133.06477	0.6
134.03601	0.3
135.04372	1.0
136.01532	1.1
136.05244	0.4
136.06160	6.3
137.02353	0.5
137.05922	0.3
138.03090	0.4
139.03900	0.3
141.05374	0.3
143.04877	0.5
145.02815	1.0
146.03596	2.7
147.04398	25.9
148.04697	0.7
149.02312	0.9
150.03123	7.6
151.03889	25.0
152.01010	0.9
152.04460	0.6
153.01790	1.1
153.05444	9.1
154.02576	0.9
157.02831	2.7
158.03455	0.3
159.04378	2.1
161.02263	0.4
161.05983	2.1
162.03027	1.3
162.04225	3.0
163.03897	2.4
164.04674	5.0
165.01785	0.4
165.05473	4.7
167.03412	0.7
167.06992	0.7
171.04384	0.5
173.02380	0.4
174.03120	4.1
175.03888	33.5
176.04533	1.9
177.01805	1.7
177.05429	1.7
178.02597	11.5
179.03378	24.8
179.06972	6.1
180.00539	2.6
180.03796	0.7
181.04982	0.5
182.02083	3.6
185.02307	0.8
187.03868	1.5
188.04700	0.3
189.05458	3.5
190.02600	0.7
191.03381	2.5
191.07018	0.7
192.02327	0.4
192.04152	10.2
193.04945	18.0
194.02116	1.0
194.05177	0.4
195.02859	7.8
195.06474	0.6
197.04433	53.8
198.04732	1.1
199.03867	1.5
202.02615	6.1
203.03381	4.1
204.00548	0.3
204.04172	1.5
205.04918	5.2
206.02055	0.7
207.06508	20.5
208.03564	0.4
208.06810	0.5
209.04459	2.9
211.02344	0.6
211.05922	1.2
217.04964	7.0
218.05328	0.4
219.03139	1.4
219.06485	6.4
220.03648	4.7
220.06815	0.3
221.04427	6.9
222.01556	1.0
222.04842	0.4
223.06000	2.4
227.03331	4.1
230.02080	5.8
231.02827	2.3
233.04367	0.6
235.05992	22.8
236.06363	0.6
237.03941	1.0
239.05272	0.3
245.04433	21.2
246.04805	0.6
248.03140	0.9
263.05481	100.0
264.05844	2.9
281.06561	13.3
281.09805	1.1
281.14908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
55.49834	0.4
56.96576	0.6
57.07065	1.4
67.05500	1.5
69.07069	3.5
69.23837	1.7
70.06589	1.3
71.08618	1.4
79.05489	1.2
81.07059	2.0
83.04975	0.8
83.08608	1.2
85.06532	0.6
86.09721	1.9
91.05486	0.6
93.07051	0.9
95.04964	0.8
95.08593	1.9
97.10184	0.7
98.97595	2.2
100.07623	0.8
101.91527	0.4
105.07026	0.6
107.08629	0.4
109.10162	1.2
111.04431	0.9
111.11691	0.6
112.07626	0.9
116.98590	1.6
123.11705	0.4
128.07088	0.6
133.10162	0.3
134.99664	0.9
137.13220	0.7
150.02678	0.6
150.12762	0.5
151.02853	0.6
168.13846	4.8
196.13327	8.4
198.72234	0.4
214.27364	0.3
221.11427	0.6
258.99796	1.3
263.16248	0.4
277.00821	1.5
281.13589	100.0
282.13983	2.6
290.55847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1496
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
53.03932	0.7
56.96553	0.6
57.03437	2.6
59.05001	0.3
61.02919	1.1
69.03435	3.3
69.80114	0.6
70.72380	0.3
71.01344	0.9
71.05001	0.8
73.02912	0.6
74.66430	0.3
74.85351	0.3
75.04472	0.5
81.03429	0.3
85.02892	0.4
89.28621	0.3
98.23523	0.4
98.97581	1.1
99.04447	1.0
101.09649	0.4
104.90905	0.3
116.98630	0.6
127.03938	0.4
131.04971	0.4
132.06828	0.6
136.06190	3.0
145.07544	0.3
146.08360	0.6
147.09166	76.3
148.09520	1.4
149.02361	0.6
150.02684	0.5
151.02789	0.7
159.09221	0.6
160.09982	0.3
162.04132	1.6
173.10902	0.3
190.56508	0.3
193.04955	0.3
197.04530	0.6
213.04318	0.4
258.99710	0.7
259.70370	0.3
263.05502	1.4
263.09113	0.3
269.87070	0.3
277.00772	1.1
281.09894	3.0
281.14932	100.0
282.15259	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	281.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19743	3.1
53.03945	5.8
55.01863	4.2
55.05509	7.4
55.35700	3.0
57.03413	3.7
57.07074	85.0
60.38190	3.2
61.02914	3.9
63.04495	30.8
67.05508	8.7
69.03423	18.7
70.13233	3.7
71.05013	3.9
79.05487	10.1
81.03415	39.4
81.07054	7.9
85.02916	36.9
86.06063	10.7
86.71969	3.7
91.05495	8.1
93.07034	7.2
95.08620	3.7
97.02887	16.4
98.97600	13.3
99.04472	7.2
105.07043	13.1
107.04951	3.9
108.08140	3.5
109.02897	18.8
109.06481	3.7
110.09664	4.2
111.04468	4.4
115.37724	4.0
116.98620	6.7
119.08588	6.8
119.09850	6.8
119.10689	94.0
120.08117	8.7
121.10117	3.7
127.03934	14.1
130.05002	4.3
131.08565	4.1
132.08130	3.7
133.06519	4.8
133.10130	4.9
137.02344	66.4
137.03362	4.3
145.10045	4.6
149.02367	9.8
150.02663	7.0
150.07700	4.3
151.02843	9.0
152.14360	16.2
155.03419	4.2
173.09627	4.1
174.12793	14.6
192.37912	3.7
196.17099	3.4
219.10002	3.9
220.13313	36.6
237.11000	5.1
237.19604	9.1
258.99786	7.3
263.12405	3.7
264.16153	3.6
277.00821	6.5
281.06601	22.3
281.09964	100.0
281.13419	6.0
281.14322	4.8
281.18381	9.2
281.22595	13.2
282.20435	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03943	9.3
54.11754	2.0
55.01862	3.0
55.05511	36.7
56.96566	2.2
57.03437	34.8
57.07083	3.7
65.03946	4.7
67.05507	88.2
67.07725	2.3
69.03440	2.7
69.07063	19.3
69.32514	3.5
69.32901	5.8
71.04982	3.3
73.06564	4.4
77.03932	3.1
78.04754	1.7
79.05493	100.0
81.03419	16.3
81.07058	68.2
83.04985	35.9
83.08624	11.6
85.06545	4.3
90.82468	2.0
91.05483	77.2
91.06066	3.9
93.07044	73.5
95.04976	31.9
95.08604	36.5
97.06525	7.6
97.10175	4.0
98.22722	4.6
98.97581	17.4
104.99261	2.5
105.04544	3.3
105.07032	53.8
107.04963	10.9
107.08602	22.7
109.06532	11.8
109.10160	5.5
116.98627	11.3
117.07016	11.2
119.08582	33.7
121.06536	3.5
121.10137	5.2
123.08045	10.4
129.06999	21.0
131.08575	3.0
133.10138	14.0
134.99687	4.6
143.08565	12.5
145.10121	13.1
147.07970	2.7
147.11684	43.6
149.02446	2.2
156.09399	2.1
161.09637	6.6
161.13257	23.0
171.11688	34.3
180.89754	2.4
181.05092	3.2
189.12714	12.1
207.13820	14.7
221.11801	6.1
249.76425	2.2
258.99860	10.7
277.00858	10.3
281.14124	3.5
281.17429	58.2
282.17877	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Trichodermatide B
Peak:m/z	Relative Intensity
52.75345	0.2
53.03943	0.3
54.09270	0.2
55.01871	0.8
55.05513	1.0
56.96560	0.2
57.03439	0.2
57.07061	1.0
65.03925	0.7
67.01831	0.2
67.05506	5.5
68.99783	0.7
69.03419	0.5
69.07052	0.9
77.03912	0.4
79.05489	0.5
80.94813	0.3
81.03392	0.3
81.07044	0.5
83.01323	0.9
83.04963	0.3
83.08597	0.3
85.02899	0.7
85.06560	0.4
91.05486	0.4
95.04970	7.9
95.08574	0.4
97.02873	0.2
98.03654	0.6
98.97571	0.5
99.04409	0.2
104.99277	1.4
105.03372	0.7
105.04500	0.3
105.07076	0.4
109.02872	0.9
113.05978	0.8
116.98586	0.2
119.04922	0.6
121.02808	0.2
123.04428	23.2
124.04759	0.6
125.02357	0.3
125.05999	0.8
126.03135	7.6
133.02905	0.3
133.06491	0.9
137.02327	0.5
137.05916	0.6
139.03905	1.8
140.04678	0.5
141.05463	26.9
142.05791	0.4
145.06543	0.2
146.42271	0.2
147.04434	1.3
147.08040	0.6
151.03896	0.6
151.05032	0.7
153.01843	0.3
153.05489	1.2
154.02599	4.5
154.03752	0.4
155.03424	0.2
161.05972	1.5
161.09688	0.3
163.07593	0.4
165.05476	0.6
168.04170	1.5
169.04958	100.0
170.05301	2.0
173.09674	0.3
175.07547	0.6
179.07036	2.3
183.06522	1.0
185.13426	0.2
189.09087	0.3
193.08603	2.9
203.14310	0.4
207.10141	0.3
209.17543	0.2
213.12732	0.3
219.95212	0.3
228.96349	0.2
231.13800	2.3
234.92137	0.6
255.03682	0.2
258.99792	0.4
263.16357	1.0
272.70258	0.2
277.01065	0.2
281.17465	11.8
282.17911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.09312	1.8
53.03943	6.3
54.90652	2.0
55.01881	5.5
55.05267	2.2
55.05516	31.8
56.96572	2.5
57.03181	3.1
57.03438	41.4
57.07085	3.7
65.03970	3.9
67.05509	86.9
69.03408	3.7
69.07076	18.8
71.04993	3.7
73.06575	2.4
77.03936	2.8
79.05496	100.0
81.03424	14.3
81.07063	63.4
83.04988	38.5
83.08633	10.6
83.09043	1.6
85.02900	2.3
85.06562	4.6
87.55103	1.9
91.05482	62.0
93.06448	4.0
93.07049	79.8
95.04971	27.4
95.08610	39.7
97.06523	6.8
97.10194	5.1
98.97591	13.4
105.04517	5.8
105.07036	55.2
107.04944	9.4
107.08605	23.8
109.06547	7.9
109.10175	9.6
116.98650	9.1
117.06998	14.6
119.08598	30.7
121.06493	4.4
121.10165	5.7
123.08073	8.5
128.06166	3.9
129.07045	15.8
132.51555	2.1
133.06459	2.5
133.10118	15.1
134.99649	3.2
135.08032	5.2
143.08557	8.9
145.10143	14.0
147.08057	3.2
147.11687	40.1
150.02721	2.4
151.02887	3.5
161.09621	5.2
161.13306	16.9
163.11206	4.8
171.11713	31.7
179.14230	2.3
183.15727	1.9
189.12738	15.3
207.13817	17.1
221.11841	2.1
240.98650	2.2
258.99808	7.6
277.00784	9.4
281.13983	5.3
281.17462	58.1
282.17764	3.2
291.51184	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.55425	1.7
52.63340	1.8
53.03939	7.3
55.01867	3.9
55.05518	38.3
56.96545	3.1
57.03440	28.2
57.07066	5.0
65.03935	4.6
67.05505	88.0
69.03427	2.0
69.06763	2.1
69.07075	20.7
69.20992	11.0
71.05013	4.3
71.08651	2.8
77.03904	3.0
79.05496	100.0
81.03425	17.1
81.07062	76.1
83.04527	3.5
83.04983	41.2
83.08622	12.2
85.06516	3.9
91.05482	77.0
93.07050	80.5
95.04974	30.5
95.08607	51.2
97.02859	2.0
97.06527	6.0
97.10163	8.4
98.23431	4.2
98.97581	12.9
99.08096	1.9
105.04494	5.2
105.06343	4.1
105.07027	54.8
105.07732	3.3
107.04946	6.1
107.08591	27.2
109.06509	10.7
109.10169	13.5
111.08089	2.4
116.98622	9.1
117.07050	12.1
119.08591	34.2
121.06512	4.2
121.10117	7.6
123.08070	11.7
123.11689	2.5
129.07016	18.8
131.08562	3.9
133.06503	2.1
133.10139	17.6
134.99652	4.5
135.11674	5.4
137.09641	2.3
141.09097	3.3
143.08583	11.4
145.10141	15.7
147.08060	5.5
147.10588	3.3
147.11691	52.7
150.02646	2.9
159.11688	2.6
159.22058	1.9
161.09608	7.6
161.13268	20.7
162.13481	2.2
171.11694	30.3
179.14301	3.6
189.11195	2.1
189.12697	10.5
207.13832	18.8
258.99713	7.6
263.16254	2.9
277.00885	11.2
281.13953	5.5
281.17450	71.9
281.28271	4.5
282.17886	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	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50674	0.3
54.98640	0.5
56.96565	6.7
67.20217	0.2
69.77401	0.4
69.77789	0.4
71.95266	0.5
98.23450	0.4
98.97583	100.0
99.97903	0.5
115.04265	0.2
116.98621	38.5
117.98982	0.3
134.99654	7.5
140.00195	0.6
153.00693	0.5
158.01239	0.4
171.36868	0.2
181.97417	0.3
201.63315	0.3
216.98677	0.3
234.99730	0.6
240.98647	3.5
258.99759	47.3
259.99945	2.4
277.00812	57.5
278.01016	2.5
282.01425	0.4
295.01880	0.6
300.02353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.1
59.57716	0.2
71.95251	0.5
83.46958	0.2
87.27912	0.3
93.25195	0.3
98.23329	0.3
98.97584	100.0
99.97914	0.5
101.00903	0.4
106.95827	0.3
116.98623	42.1
119.01920	1.0
134.99657	9.4
140.00189	0.7
150.07738	0.7
153.00711	0.5
168.13783	0.3
216.98730	0.5
225.42142	0.3
234.99826	0.7
240.98657	4.1
256.16495	0.3
258.99765	45.5
259.99939	2.0
264.07245	0.5
277.00815	54.2
278.01025	2.9
279.01215	0.4
282.08200	0.4
283.00006	0.6
295.01794	0.5
300.02377	0.6
301.00934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05501	1.2
56.05037	0.4
57.03413	0.5
57.07081	0.8
58.78482	0.4
58.99583	4.1
67.05506	3.1
69.03431	0.6
69.07062	1.5
70.06583	1.9
71.43756	0.5
77.67443	0.4
79.05475	2.6
80.05006	2.0
81.07059	3.2
82.06585	0.5
83.08618	0.5
84.04482	1.0
85.01109	0.9
86.00645	1.1
86.06052	0.5
86.99054	2.7
87.02688	1.1
88.02196	1.1
90.50848	0.4
91.05482	2.1
93.05779	1.1
93.07047	2.8
94.06563	1.0
95.08604	4.2
96.08125	0.4
97.06483	0.5
98.97586	3.8
99.02644	0.6
100.11228	0.5
101.04241	1.6
103.05459	0.4
105.00114	1.4
105.07021	3.7
106.06568	0.7
107.07364	0.6
107.08595	2.9
108.08118	19.9
109.10146	1.7
110.09669	1.7
112.02196	2.2
113.04218	1.0
113.57601	0.4
116.98612	2.9
117.07025	0.8
119.08592	1.5
120.08112	1.1
120.79055	0.4
121.08882	0.9
122.09656	3.6
123.11737	0.4
124.11243	0.8
131.04839	0.4
131.08582	0.7
132.01138	2.0
132.08051	0.5
133.10126	1.3
134.09645	1.2
134.99622	1.1
135.04385	0.7
135.11743	0.8
136.11232	1.5
137.04169	0.6
138.03740	1.0
139.05673	0.5
140.05283	1.3
145.10123	0.5
146.09688	0.5
148.11209	1.2
150.12753	1.9
151.14847	1.1
158.02710	1.1
159.04701	0.8
161.13232	1.2
163.14734	0.5
166.06868	3.6
166.12274	1.4
167.07639	0.5
167.08987	0.6
168.08403	1.0
173.06355	1.9
173.13301	0.5
174.12679	0.4
176.14336	2.8
177.15092	1.1
178.15906	3.8
180.08473	2.0
180.10094	0.5
181.09131	0.9
182.02762	1.3
183.03471	0.7
184.04237	0.8
193.10512	0.7
195.12070	0.5
201.12764	1.3
210.05913	0.6
210.13110	1.7
212.07404	28.3
213.07817	0.8
219.13942	0.6
226.08952	0.5
226.12137	0.6
236.14705	1.5
236.19937	0.6
238.17998	2.2
258.99689	2.3
264.19583	0.7
277.00851	3.3
282.15231	100.0
282.20572	4.6
283.15457	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	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01884	2.8
57.03434	5.1
61.02927	10.6
62.34981	1.0
69.03426	15.9
70.19723	1.0
71.04999	2.8
71.06844	1.2
71.19873	1.3
73.02914	3.6
81.03430	5.7
83.01338	1.1
85.02903	100.0
85.06541	20.0
87.04465	3.2
91.03956	9.2
97.02892	21.2
98.97588	2.6
99.04426	5.0
109.02879	7.4
115.03942	2.4
127.03137	0.7
127.03912	27.3
145.04953	60.6
151.07567	1.0
163.06026	20.6
180.08774	1.4
209.46912	1.2
211.09737	1.2
229.10667	9.7
277.00876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70291	0.9
53.03945	1.9
55.01865	2.7
55.05515	1.2
57.03434	4.5
57.29778	1.0
59.37661	1.0
61.02927	10.0
69.03430	16.1
71.05004	1.5
73.02916	6.0
81.03406	6.7
85.02908	100.0
85.06543	22.0
86.03223	1.2
87.04440	2.1
91.03960	6.1
94.93023	8.8
96.38091	1.0
97.02895	22.1
97.14303	0.9
99.04462	4.2
103.03969	1.3
109.02879	6.7
112.89605	1.4
115.03944	2.2
127.03924	25.0
145.04967	55.3
150.07800	2.8
163.06033	14.4
174.04428	1.6
176.93510	5.7
183.05069	2.8
192.05589	2.5
207.03699	1.1
211.09718	1.1
217.05049	1.0
229.10710	6.3
282.01785	1.2
282.04871	3.8
282.96188	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	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28493	0.2
53.03933	0.3
55.05506	1.3
56.05023	0.5
57.03429	1.0
57.07059	0.3
59.05000	1.2
60.34126	0.2
61.02926	1.9
67.05499	0.7
69.03448	0.3
69.07060	0.4
69.75581	0.5
69.75970	0.5
70.06571	0.3
70.11343	0.2
71.04993	3.4
79.05484	2.3
79.51288	0.2
80.05016	0.5
80.41441	0.3
81.03417	0.4
81.07057	5.8
82.06577	0.3
83.08594	0.2
84.04505	2.7
85.02908	5.5
87.04469	0.6
87.08117	0.6
91.05476	2.3
93.05793	0.3
93.07042	2.6
94.06566	0.7
95.04975	0.6
95.07355	0.3
95.08595	0.4
95.24548	0.2
96.08119	0.4
98.02425	0.4
98.97598	2.0
99.08108	0.6
102.05511	0.6
103.05480	0.6
105.07050	0.7
107.08618	1.4
108.08123	8.8
109.02818	0.3
109.05141	0.7
110.03522	2.9
110.09689	0.6
111.21855	0.2
113.09634	0.8
115.05398	0.6
116.98648	1.4
117.03342	0.4
117.07018	0.3
119.04945	2.6
120.08104	1.6
121.02816	0.3
121.10118	0.3
122.09663	6.6
123.10452	1.0
123.11690	0.3
124.11238	0.3
127.03242	0.3
128.04541	1.0
130.04126	0.4
131.03380	0.3
131.04965	0.3
132.08136	0.5
133.02863	0.4
133.06567	0.3
134.09619	0.5
134.99628	0.3
135.02007	0.4
135.03018	6.2
135.04460	0.4
135.11690	1.6
136.04732	0.7
136.08408	0.3
136.11198	2.5
143.68422	0.2
145.02829	0.7
145.06517	1.1
147.04390	2.2
148.11241	0.3
149.05936	0.3
150.11557	0.5
150.12787	12.6
151.13588	3.4
152.05675	100.0
152.14352	3.8
153.04080	8.0
153.05110	0.2
153.05989	0.7
158.03604	0.9
159.04324	0.3
161.02330	0.3
166.07256	0.9
173.06000	2.7
173.09563	0.2
174.10045	0.4
174.12785	3.4
175.03911	3.1
176.04691	1.0
177.05482	0.6
177.11224	0.2
180.10234	0.3
182.11806	0.2
186.03136	0.4
190.15948	0.4
193.04988	0.4
194.11703	0.3
201.05466	11.4
208.13359	1.4
219.06514	7.4
220.13324	5.5
223.09079	0.6
232.11855	0.7
234.12025	0.6
236.16501	0.8
237.07750	0.2
238.10751	0.6
238.17964	0.5
249.20319	0.3
250.12984	2.4
252.12354	0.9
253.13228	0.3
258.99878	0.9
264.16077	0.5
265.07019	1.0
277.00815	1.4
282.10382	1.4
282.16797	32.5
283.15836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
67.05519	0.4
68.05022	0.6
69.07062	0.5
69.36357	0.3
69.49754	1.3
72.45348	0.3
79.05473	1.2
80.05022	1.8
81.03403	0.4
81.07056	0.8
82.06584	0.4
83.08596	0.3
84.04492	0.4
85.02893	0.3
86.06078	0.7
87.04465	14.0
91.05516	0.3
93.07062	2.5
94.06528	0.5
95.08590	0.9
96.08138	0.7
98.06051	0.9
107.08583	1.3
108.08101	2.0
110.09670	1.5
114.90574	0.3
121.10117	0.3
122.09655	2.2
123.10453	0.7
124.11251	0.5
135.11693	3.2
136.11180	1.4
137.13301	0.3
150.12770	4.0
151.13560	1.0
152.14340	12.7
164.14386	0.3
166.08624	4.1
167.04866	0.3
178.12164	0.3
180.10211	0.7
181.10980	0.7
184.09662	1.2
184.13264	1.0
194.11737	2.3
196.13286	0.8
208.13306	3.7
209.13966	1.2
210.14804	0.6
220.17079	0.3
236.16472	0.7
238.18005	100.0
239.18361	3.5
240.19592	0.7
259.23627	0.3
281.93716	0.3
282.17148	4.1
282.20615	86.6
283.20935	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	282.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
55.22616	0.4
68.05018	0.5
69.73456	1.5
79.05494	0.8
80.05019	2.5
81.03402	0.6
81.07051	1.8
82.82121	0.5
84.04494	0.5
86.06058	1.5
87.04469	16.3
93.07038	3.1
95.08603	1.1
96.08135	0.8
98.06046	1.0
107.08598	2.3
108.08093	2.3
109.08920	0.6
110.09684	1.6
122.09673	1.6
123.10434	1.3
123.11717	0.5
124.11214	0.9
135.04391	1.1
135.11705	3.1
136.11221	1.3
137.13254	0.5
150.12807	3.5
151.13535	0.8
152.14351	13.6
166.08626	3.7
178.12180	0.5
180.10159	0.8
184.09677	1.0
184.13338	0.6
186.90134	0.4
194.11716	2.1
195.02693	0.4
196.16930	0.8
208.13339	4.6
209.14053	1.8
210.14973	0.8
238.18016	100.0
239.18370	3.3
240.19643	0.4
282.20630	96.1
283.21115	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	282.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28972	0.9
53.03929	1.5
55.01861	2.6
55.05258	1.1
55.05509	11.9
57.03438	7.8
57.07064	1.9
59.04987	0.8
67.05503	47.6
69.03433	5.2
69.07060	7.8
71.04984	4.2
76.49162	0.8
77.03912	1.4
79.05494	40.0
81.03381	1.7
81.07057	34.1
83.04974	3.1
83.08600	3.8
84.04492	2.2
85.02914	1.0
85.06497	1.0
86.06066	11.7
87.04472	18.5
87.04974	0.6
91.05479	14.0
93.07047	37.3
95.04962	10.3
95.08604	72.5
96.08943	0.8
97.02883	1.6
97.06529	2.8
98.06030	1.2
98.97588	7.9
99.04421	2.2
102.05535	1.2
103.05470	21.5
104.07108	22.9
105.04522	1.6
105.07029	15.8
107.04962	16.6
107.08596	23.1
109.06502	3.9
109.10152	30.1
109.10900	2.0
111.04441	0.8
111.08070	2.1
116.98631	4.4
117.06989	4.5
119.08582	20.5
121.06472	4.1
121.10146	10.3
123.08078	4.4
123.11674	1.4
125.05970	1.4
129.07036	1.0
130.07785	1.2
131.04918	8.5
131.08542	1.8
133.10133	4.2
134.09650	21.9
134.99602	1.4
135.08072	1.3
135.11694	23.8
137.09602	6.2
145.10118	9.7
149.06018	1.6
149.13249	3.7
151.14827	12.3
151.84087	0.9
161.13242	4.3
163.11174	25.7
179.14319	8.0
181.12199	5.9
184.13261	4.1
212.12743	1.8
227.12773	42.3
238.53944	0.9
241.07359	1.1
258.99765	3.2
259.08533	1.1
259.76178	1.0
277.00763	5.4
282.14978	39.0
282.20624	100.0
283.15369	17.5
283.20941	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	283.058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	50.1
70.48643	19.8
104.07899	12.3
136.95380	10.4
162.35161	10.6
165.02104	16.3
169.01721	11.7
183.03236	14.4
201.04335	23.8
211.02638	18.5
219.03273	12.6
229.03891	90.8
237.04350	49.2
239.51009	12.1
247.04913	34.5
255.05367	72.0
272.58902	12.9
273.06586	17.4
283.05441	90.5
283.08252	17.7
283.10864	15.6
301.05908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01868	13.3
50.46507	12.2
56.36456	13.0
56.96559	24.3
58.46206	15.7
62.92367	14.3
66.49078	15.1
69.47509	64.0
74.18892	15.0
105.07565	13.7
186.98663	15.6
201.04343	17.9
204.10320	14.0
229.03851	57.8
237.04434	38.9
239.05887	18.6
247.04942	26.2
255.05382	54.3
283.05554	100.0
283.08350	26.0
301.06000	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.6
69.86434	2.1
78.08308	0.8
89.06039	1.1
98.23601	0.8
98.97585	5.7
101.01546	0.7
102.28480	0.7
116.98627	3.4
121.02850	1.5
126.26102	0.7
134.09662	1.1
134.99651	1.3
137.06618	0.8
151.03940	1.2
193.05109	0.8
216.26413	0.8
229.03723	1.2
260.00125	1.3
265.06973	1.0
278.01108	3.1
283.07901	100.0
284.08249	1.9
301.05844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.8
55.05494	1.0
69.03421	1.2
69.48222	1.1
69.48560	3.8
71.04990	1.6
73.20324	0.7
79.05527	1.2
81.03389	1.0
81.07057	2.3
85.02896	2.3
87.04505	0.9
89.06046	1.5
91.05482	4.7
93.07008	1.1
95.04974	1.3
95.08642	0.8
97.02901	1.8
98.97572	1.3
99.04501	1.0
105.01826	0.9
105.06981	1.0
107.08598	1.1
115.05452	1.4
115.08380	0.8
117.07006	1.4
119.04949	5.2
121.02861	2.4
123.04420	1.0
127.03880	1.7
130.04185	1.9
145.02841	2.7
145.06456	2.6
147.04385	5.2
148.05237	1.1
152.05659	6.2
153.06042	2.6
158.03629	2.3
161.02316	1.1
161.05972	1.4
167.07040	3.4
171.02916	1.5
173.06017	6.5
175.03926	7.5
176.04607	1.3
177.05507	2.1
178.93327	0.9
186.03159	1.0
191.07146	0.9
201.05481	21.3
209.11725	1.1
219.06537	14.2
221.11482	40.6
222.11867	1.4
259.99753	0.8
265.07513	1.7
265.10513	14.9
283.11533	100.0
284.11975	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	283.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81493	0.4
67.05510	0.4
70.03665	1.2
71.50062	0.4
79.05496	0.7
93.07045	0.6
95.05013	0.4
95.08593	0.6
98.97540	0.4
107.04939	0.5
107.08608	0.5
121.06459	0.6
131.79929	0.4
135.11691	1.4
145.10057	0.7
163.11160	1.4
194.36569	0.4
227.12776	2.0
233.11522	3.4
265.14108	1.2
283.15167	100.0
284.15460	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01872	3.4
55.05510	9.1
57.03437	8.5
57.07048	1.0
63.03565	0.5
65.03915	1.0
67.05511	16.1
68.05807	1.6
69.03439	3.0
69.07072	5.7
69.17711	1.2
69.18120	2.1
71.05002	2.8
71.16669	0.6
73.02887	1.1
79.05495	21.2
80.05787	1.9
81.03390	2.5
81.07060	18.7
81.07508	0.6
82.07372	1.5
83.04997	3.2
83.08621	7.1
85.06511	1.1
86.06050	1.0
87.04445	1.7
91.05476	7.5
92.05786	1.2
93.03403	0.6
93.07045	31.6
94.07329	1.7
95.04425	0.7
95.04967	7.9
95.08608	39.2
96.05287	0.6
96.08949	3.4
97.02901	3.3
97.06506	2.7
97.10130	1.0
98.97574	0.7
99.04444	4.0
103.05467	3.5
104.05792	1.6
104.07069	2.2
105.07010	6.5
107.04958	9.8
107.08595	22.4
108.05228	0.6
108.08892	1.0
109.06488	2.2
109.10141	4.2
110.10435	1.7
111.04399	1.8
111.08043	0.9
113.06050	0.6
116.98623	0.6
117.07030	9.6
119.08578	9.8
120.08861	0.7
120.86826	0.6
121.02860	1.2
121.06474	5.0
121.10140	9.8
125.05958	2.3
130.07718	1.8
131.04886	1.3
131.08577	0.8
133.08563	0.6
133.10143	2.9
134.09608	1.3
135.08025	1.7
135.09975	1.3
135.11693	41.3
136.12041	1.1
139.07521	1.2
143.08562	0.8
145.10121	23.4
146.10461	0.8
149.13193	0.7
153.09053	0.6
153.12711	1.6
163.11182	58.5
164.11533	1.7
173.09634	2.0
173.13264	0.6
178.78542	0.6
180.14705	1.0
181.12230	14.2
191.10651	0.8
209.11610	1.6
227.12773	100.0
228.13081	2.3
229.13112	0.6
234.50310	0.6
241.07468	1.7
251.12535	1.5
259.08646	0.8
264.18573	0.6
278.01035	0.7
282.20663	1.1
283.10092	1.2
283.15344	43.4
283.20767	11.1
284.15833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.0
55.01874	4.1
55.05510	9.3
56.96540	1.4
57.03437	9.6
66.91362	0.6
67.05505	15.1
68.05824	1.3
69.03397	1.7
69.07058	6.2
69.78548	1.3
69.78915	1.4
71.05003	3.2
71.05290	0.7
73.02880	1.4
77.03882	0.7
79.05492	23.1
80.05791	1.0
81.03426	3.1
81.07059	18.0
83.04974	3.1
83.08614	7.5
85.02869	0.9
87.04433	0.8
89.05974	0.8
91.05467	8.6
93.07047	34.8
93.79486	0.6
95.04423	0.7
95.04967	6.9
95.08606	36.8
96.08890	2.2
96.17859	0.7
97.02898	4.1
97.06538	3.5
97.07032	0.8
97.10145	0.9
98.97521	0.9
99.04439	4.7
103.05396	1.5
105.04514	0.8
105.07024	6.5
107.04962	9.6
107.08597	22.6
108.05252	0.8
109.06467	2.0
109.10122	3.0
110.10468	0.9
111.04386	1.6
111.08047	1.6
113.05997	0.7
115.00618	0.7
117.07019	10.7
119.07840	0.8
119.08577	8.2
121.06514	6.1
121.10130	11.4
123.08031	0.8
125.05962	3.5
129.06952	0.8
130.07735	2.0
131.04880	1.0
133.10085	2.8
134.09581	1.0
135.08046	1.8
135.11691	43.3
136.12013	1.0
139.07463	1.8
143.08533	1.0
145.06465	0.7
145.10123	26.9
146.10475	0.8
153.12727	1.6
162.13550	0.6
163.11179	58.7
164.11539	1.3
173.09583	1.6
173.13127	0.7
181.12222	13.6
209.11725	3.3
227.12772	100.0
228.13188	2.8
241.07431	3.6
259.08517	3.0
283.15366	36.5
283.20724	7.4
284.15826	1.8
301.09558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09015	1.6
53.03952	7.6
55.01871	8.4
57.03429	6.5
59.05013	2.4
61.02925	7.9
61.68288	1.6
68.99778	1.6
69.03067	2.5
69.03429	36.2
69.41344	8.4
71.04981	5.9
73.02923	12.1
74.11382	1.5
79.05489	1.5
81.03423	33.2
85.02904	92.3
87.00836	42.1
87.01333	1.0
87.04468	1.7
91.03917	1.9
96.07967	1.4
97.02895	57.4
98.06067	1.8
98.97572	3.3
99.04455	20.7
105.01868	63.1
108.04484	9.0
109.02880	33.5
116.98626	2.4
117.01850	5.0
126.05487	4.3
127.03914	100.0
128.04279	2.9
129.01840	2.7
144.40082	1.4
145.04961	80.3
146.05307	1.8
147.02872	4.3
159.02879	28.4
177.03868	2.7
179.00362	1.8
189.03975	1.7
213.03893	4.9
227.06027	1.5
230.06630	4.3
231.04993	29.3
248.07651	4.4
249.05998	9.2
284.09738	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	284.099
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96568	1.2
57.03421	0.3
61.02925	0.3
69.03441	0.4
71.43478	0.2
85.02901	0.7
87.04456	2.5
97.02901	0.2
98.97579	4.6
104.07117	0.2
105.05487	1.2
109.05132	0.6
110.03537	2.0
116.98615	3.1
128.04575	0.7
134.99641	0.9
135.03027	4.6
151.03899	0.7
152.05669	100.0
153.04094	5.3
153.06131	1.2
166.83875	0.2
172.94269	0.3
177.00839	0.4
190.95381	0.3
219.01968	0.7
243.02069	0.3
260.96158	1.4
260.99585	2.1
261.03073	3.2
261.99478	0.2
262.03290	0.3
278.96982	0.9
279.00623	2.7
284.19702	0.2
285.09598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	3.8
57.03440	4.1
61.02920	6.8
69.03420	12.1
69.07070	18.2
73.02894	1.5
79.63899	1.3
81.03427	4.2
85.02909	73.8
87.04490	1.6
87.08109	100.0
91.03949	2.6
97.02896	15.2
98.97588	2.1
99.04436	2.4
109.02902	4.9
127.03931	13.0
145.04962	19.7
161.03702	1.3
163.06029	7.4
174.02316	1.9
188.03864	1.2
192.03340	1.7
234.49695	1.4
235.57487	1.3
242.26680	1.2
253.07050	1.3
256.05606	1.6
261.03098	1.9
261.05566	4.3
267.14575	2.1
279.00516	1.4
279.06528	3.4
284.05768	1.9
284.29446	1.3
285.09213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.5
56.05011	0.4
57.03405	0.5
67.05500	1.8
69.03416	0.5
69.07076	1.7
69.41061	0.6
69.41469	1.4
70.02950	2.1
70.06573	0.4
72.04498	0.5
72.08130	0.3
72.53139	0.3
79.05495	2.8
81.03037	0.4
81.03412	3.9
81.07068	2.0
83.04963	0.5
83.08614	1.6
85.02881	0.5
88.03960	1.2
91.05445	1.5
92.71820	0.4
93.07043	4.4
95.04945	1.4
95.08625	1.7
96.08098	0.6
98.06012	0.3
98.97558	0.4
105.07002	1.4
107.07404	0.4
107.08604	3.2
108.08125	7.3
109.06402	0.4
109.08910	0.5
109.10120	0.4
110.09629	1.6
111.08109	0.4
116.03429	0.8
118.04971	1.1
119.08533	0.9
120.08054	0.4
121.10147	0.4
122.09673	6.3
123.08050	0.4
123.10418	1.2
124.11225	0.5
133.10124	0.6
134.09631	0.4
135.11700	4.1
136.11172	2.7
137.13243	0.9
139.07545	0.6
140.10670	0.9
141.01817	0.5
145.38162	0.3
147.11623	0.4
148.11087	0.4
150.12782	10.6
151.13573	7.6
152.10640	0.5
153.12779	0.4
153.15085	0.7
153.30849	0.3
157.10139	0.5
158.08157	0.4
164.14357	1.4
166.12265	0.8
166.15927	0.8
168.06516	1.2
170.08128	0.4
172.09712	0.5
175.11116	0.5
178.15913	4.8
180.10146	0.5
186.11220	1.5
193.12216	2.0
194.15385	2.6
196.09695	0.8
198.11177	0.8
202.05779	0.5
210.11230	1.9
210.14911	3.4
211.11909	0.5
222.14897	0.4
238.14462	0.9
239.09193	0.5
240.15932	100.0
241.16263	3.2
242.17505	5.0
254.17479	0.4
267.15790	0.5
284.18552	70.4
285.18927	2.8
295.37643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
57.07061	0.6
65.51589	0.3
67.05484	1.2
68.05012	0.4
69.07047	1.3
69.63441	1.4
70.02953	2.4
72.04498	0.6
79.05500	2.2
81.03424	2.0
81.07063	2.1
82.06575	0.7
83.04957	0.3
83.08591	0.8
84.08092	0.3
85.02898	0.4
88.03960	1.1
90.05527	0.4
91.05462	1.0
93.07037	5.2
94.06558	0.9
95.04952	0.8
95.08608	2.7
96.08089	0.5
98.05993	0.5
100.16657	0.4
105.07022	1.2
107.08615	3.0
108.07393	0.6
108.08115	9.5
109.08898	0.7
109.10181	0.6
110.09651	1.6
111.08038	0.5
112.07629	0.4
116.03403	0.5
116.59429	0.3
118.04980	0.5
119.08588	0.6
121.10072	0.5
122.09660	7.5
122.60668	0.3
123.10423	1.8
123.11690	0.8
124.11194	0.5
126.66951	0.3
133.10101	0.7
135.11671	3.9
136.11209	3.3
137.13197	0.6
139.07539	0.7
140.10660	0.7
147.34717	0.4
148.11140	0.9
150.12779	12.9
151.13564	6.7
152.10701	0.6
154.08582	0.5
158.08083	0.5
164.14313	1.9
166.12259	0.9
166.15897	1.2
168.06529	1.3
172.09604	0.5
176.14394	0.5
178.15913	4.4
179.14258	0.5
180.10135	0.8
182.08109	0.6
184.09674	0.6
186.11252	1.1
193.12210	1.1
194.15388	3.0
196.09552	0.9
198.11247	0.6
210.11240	2.5
210.14859	3.6
211.12061	0.4
218.70490	0.3
222.14822	0.4
238.14375	1.2
240.15935	100.0
241.16350	3.5
242.17509	4.8
267.15900	0.6
267.39938	0.3
284.18558	70.5
285.18881	2.3
299.06647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	Supinine
Peak:m/z	Relative Intensity
55.05490	1.1
57.07061	0.6
65.51589	0.3
67.05484	1.2
68.05012	0.4
69.07047	1.3
69.63441	1.4
70.02953	2.4
72.04498	0.6
79.05500	2.2
81.03424	2.0
81.07063	2.1
82.06575	0.7
83.04957	0.3
83.08591	0.8
84.08092	0.3
85.02898	0.4
88.03960	1.1
90.05527	0.4
91.05462	1.0
93.07037	5.2
94.06558	0.9
95.04952	0.8
95.08608	2.7
96.08089	0.5
98.05993	0.5
100.16657	0.4
105.07022	1.2
107.08615	3.0
108.07393	0.6
108.08115	9.5
109.08898	0.7
109.10181	0.6
110.09651	1.6
111.08038	0.5
112.07629	0.4
116.03403	0.5
116.59429	0.3
118.04980	0.5
119.08588	0.6
121.10072	0.5
122.09660	7.5
122.60668	0.3
123.10423	1.8
123.11690	0.8
124.11194	0.5
126.66951	0.3
133.10101	0.7
135.11671	3.9
136.11209	3.3
137.13197	0.6
139.07539	0.7
140.10660	0.7
147.34717	0.4
148.11140	0.9
150.12779	12.9
151.13564	6.7
152.10701	0.6
154.08582	0.5
158.08083	0.5
164.14313	1.9
166.12259	0.9
166.15897	1.2
168.06529	1.3
172.09604	0.5
176.14394	0.5
178.15913	4.4
179.14258	0.5
180.10135	0.8
182.08109	0.6
184.09674	0.6
186.11252	1.1
193.12210	1.1
194.15388	3.0
196.09552	0.9
198.11247	0.6
210.11240	2.5
210.14859	3.6
211.12061	0.4
218.70490	0.3
222.14822	0.4
238.14375	1.2
240.15935	100.0
241.16350	3.5
242.17509	4.8
267.15900	0.6
267.39938	0.3
284.18558	70.5
285.18881	2.3
299.06647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05513	1.7
56.05019	0.3
56.05818	0.3
57.03430	0.3
67.05507	1.7
69.03410	0.4
69.07040	1.0
69.50003	1.4
70.02634	0.3
70.02948	2.9
72.04491	0.6
73.06554	0.5
79.05496	2.5
80.04977	0.3
80.37498	0.3
81.03413	5.5
81.07050	2.1
82.06559	0.5
82.30882	0.3
83.08592	1.3
85.02877	0.5
88.03963	1.1
91.05476	1.6
93.06538	0.3
93.07047	4.6
94.06551	0.7
95.04960	1.4
95.08590	2.2
96.08098	0.5
98.06024	0.9
105.07033	1.4
106.04990	0.4
106.06532	0.6
107.04961	0.7
107.08591	3.1
108.08112	8.5
109.02859	0.4
109.06502	0.4
109.08908	0.5
109.10126	0.6
110.06027	0.5
110.09701	0.7
111.04465	0.4
111.08020	0.6
112.07577	0.4
114.05446	0.3
115.26791	0.3
115.89725	0.3
116.03466	1.6
117.09087	0.4
118.04984	0.7
119.08547	1.2
121.10103	0.5
122.09663	6.3
123.10442	0.9
124.07620	0.5
124.11184	0.3
127.03846	0.4
129.06969	0.4
131.08557	0.5
133.10107	1.0
134.09630	0.4
135.11687	3.6
136.11227	2.9
137.13185	0.4
138.05522	0.6
138.09158	0.5
140.10753	0.4
147.11598	0.6
148.11157	0.4
150.05455	1.0
150.12785	9.7
151.13574	7.4
152.10678	0.7
153.12708	0.5
154.73851	0.3
157.10043	0.4
161.13156	0.5
164.14355	1.0
166.12335	0.7
166.15869	0.9
168.06566	4.9
175.11186	0.5
176.14308	0.4
178.15927	4.7
179.14456	0.3
186.11313	0.6
192.13760	0.4
193.12271	3.0
194.15407	3.0
196.09677	0.8
198.11241	0.6
208.13332	0.4
210.11333	1.9
210.14915	3.2
211.12015	0.4
238.14375	0.9
240.15936	100.0
241.16313	3.4
242.17528	1.0
253.08595	0.3
255.46127	0.3
266.17447	0.6
267.15866	0.6
284.18561	84.6
285.18973	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	284.1859
Annotation	Supinine
Peak:m/z	Relative Intensity
53.03939	1.2
67.05495	0.6
70.01678	0.5
70.06592	13.0
79.05483	1.2
79.91176	0.3
80.05016	4.0
81.05795	0.7
81.07073	0.6
81.38607	0.3
82.06557	0.5
84.51272	0.3
89.05996	0.3
91.05472	0.4
93.07055	0.5
94.06568	8.0
95.07384	0.4
95.08604	0.5
98.97584	0.4
103.05479	0.6
105.07032	0.5
107.07332	1.1
109.08942	0.7
110.09689	7.2
116.98624	0.4
120.08093	2.4
122.09668	78.2
123.10478	13.1
124.11250	0.5
131.04935	2.2
139.03886	0.6
140.10701	47.9
141.11075	0.6
163.07521	0.8
194.15469	1.0
231.10074	0.4
240.15982	0.7
248.66710	0.3
284.18561	100.0
285.13589	0.7
285.18912	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	284.2222
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
53.03942	0.6
55.01862	0.5
55.05512	2.7
57.03187	0.4
57.03441	4.3
57.07072	0.4
61.02929	3.2
67.05506	3.9
69.03432	1.9
69.07065	2.6
70.06593	1.8
73.02939	0.4
79.05489	3.7
79.55634	0.3
80.05016	0.7
81.02959	0.6
81.03419	9.8
81.07046	4.3
82.06577	5.0
83.04987	2.7
83.08623	3.2
84.04513	0.9
84.08118	0.9
85.02906	7.7
87.00832	1.2
91.05472	3.9
93.07053	3.4
94.06547	0.7
95.04972	3.0
95.08609	2.8
97.02883	1.8
97.06525	1.5
98.06099	0.4
98.97570	0.4
99.04461	0.6
99.08102	0.3
100.07614	8.0
105.01865	1.9
105.07029	2.5
105.55006	0.3
107.04930	1.0
107.08593	2.4
108.08116	6.5
109.02887	0.5
109.06492	1.1
109.10163	1.4
111.04438	0.6
111.08085	3.0
112.07623	1.2
113.05994	0.6
117.07028	0.7
119.08578	2.4
121.10141	1.3
122.03173	0.3
123.08033	0.5
123.11650	0.5
124.07631	0.3
125.09622	0.5
126.09150	10.7
126.12815	0.5
127.03918	2.6
129.06995	1.0
131.08551	1.4
133.06487	0.4
133.10144	1.0
135.08043	0.3
135.11674	0.9
136.07581	1.3
136.11185	0.5
137.09636	0.7
137.13300	0.3
145.04948	1.8
147.08083	0.7
147.11716	2.0
149.09618	1.0
150.12820	0.6
152.14339	1.0
153.12743	4.3
154.08633	4.2
154.12244	2.3
155.10690	0.3
157.10133	1.5
159.02858	0.4
165.12756	0.6
175.11217	2.4
186.11247	0.9
193.06436	0.4
193.12218	8.0
206.18954	0.6
211.13295	4.8
216.17458	0.4
225.09056	0.8
231.04982	0.7
234.18495	2.1
238.17975	1.7
239.18344	0.4
240.15904	1.4
240.18556	1.0
247.09378	0.3
252.19582	33.2
253.08583	1.0
253.19939	1.4
266.17642	1.0
266.21149	0.9
267.15948	1.2
284.18713	4.3
284.22183	100.0
285.11087	0.5
285.16919	6.5
285.22440	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	284.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
56.05028	0.4
57.03431	1.8
61.02922	2.6
63.07708	0.3
67.05499	1.4
68.90345	0.3
69.03428	0.4
69.07053	1.4
70.06591	0.4
70.60842	0.4
70.61189	0.5
72.08150	0.4
79.05488	1.5
80.05000	0.5
81.03410	4.4
81.07052	2.1
82.06575	4.5
83.04969	1.0
83.08616	1.0
84.04469	0.5
84.99630	0.3
85.02904	1.9
85.98217	0.3
86.06091	0.6
87.00840	0.5
91.05482	1.1
93.05785	0.5
93.07064	2.1
94.06547	0.6
95.04960	1.2
95.08611	1.7
97.02885	0.5
97.06512	0.9
97.10156	0.7
98.97551	0.4
100.06950	0.6
100.07611	12.2
102.86329	0.3
105.01855	0.6
105.06966	0.7
107.08584	1.8
108.08110	9.0
108.08839	0.6
109.02895	0.5
109.10154	0.8
111.08070	2.7
112.07600	1.0
119.08582	0.8
121.10134	0.6
125.29195	0.4
126.09146	13.5
126.49520	0.4
127.03923	0.8
131.08575	0.4
133.10202	0.4
135.11685	0.8
136.07582	1.8
145.04988	0.8
147.11714	0.7
150.12817	0.6
153.12740	4.5
154.08609	5.9
154.12218	2.2
157.10162	0.5
179.14322	0.3
186.11227	1.2
193.12216	1.6
194.09048	0.3
206.19043	0.8
208.17009	0.5
211.13336	0.5
234.18460	2.2
240.15967	0.4
252.19569	35.2
252.81291	0.4
253.19946	1.8
266.21317	0.4
266.24680	0.4
284.22180	100.0
285.13153	0.7
285.16968	1.0
285.22540	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	285.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04743	4.9
63.00040	11.2
69.64801	11.1
71.72118	4.6
85.02891	9.6
88.90958	5.0
98.22713	7.7
98.97730	4.6
98.98443	10.2
106.06580	9.9
110.07159	18.6
120.08116	6.5
127.03954	5.0
145.04936	5.5
169.19624	4.7
182.20659	4.5
185.06606	7.1
231.04187	4.9
239.07626	9.7
257.08521	6.8
267.08572	65.0
285.05630	29.7
285.09317	100.0
285.13104	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94817	0.9
59.16420	1.2
70.14823	2.0
70.15160	1.9
73.56683	0.9
90.61334	0.9
98.22736	1.5
102.56792	1.0
166.12143	1.0
183.96393	1.0
239.08899	1.8
245.86041	1.0
249.07314	8.2
267.08389	100.0
268.08798	3.1
278.45758	1.0
282.54776	1.1
285.09445	87.8
286.09833	4.4
287.38229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05043	4.2
65.03947	10.1
67.05513	4.1
69.30396	25.1
73.02923	11.2
74.64153	4.2
81.07052	7.0
83.04942	4.8
91.05484	8.6
99.04427	4.4
107.04977	6.1
121.02866	100.0
123.04508	5.8
124.03954	22.9
133.10133	5.1
151.03990	4.9
153.05476	75.6
194.51286	5.0
218.77730	4.8
229.44128	4.4
285.07550	6.3
285.11786	6.8
285.24203	5.4
286.08990	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	285.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11850	1.2
55.01871	2.4
55.05501	2.3
56.04196	1.2
57.03436	6.8
67.05486	1.5
72.54677	1.2
75.04490	2.3
79.05492	5.7
81.07062	1.7
85.02908	2.1
86.30495	1.1
91.05487	15.5
93.03402	1.4
93.07051	3.1
95.04957	3.4
97.02897	1.9
97.06548	1.8
100.11251	5.3
103.05467	4.0
105.03403	4.1
105.07040	21.6
106.02293	1.1
106.04155	3.8
107.04960	11.1
108.05777	1.6
109.06508	6.1
111.04411	1.1
115.05469	3.2
118.04201	2.7
119.04947	22.4
119.08622	1.3
121.06517	13.0
123.04480	2.0
123.08070	3.1
124.61134	1.3
125.02341	1.3
125.05969	2.6
131.04958	2.2
133.06490	16.4
134.03653	4.5
135.04424	6.7
135.08064	2.3
136.05241	6.6
137.06000	3.8
139.03908	1.8
140.04680	10.1
146.03734	1.3
147.04355	5.3
147.08012	1.3
148.21976	1.3
149.05991	21.2
150.06746	1.5
151.07553	16.4
152.04665	1.4
153.05470	87.2
153.09125	2.1
154.05978	1.7
161.05984	100.0
162.06331	2.3
163.03819	1.4
165.05441	2.8
167.07068	16.0
168.07820	78.7
169.08122	2.5
175.07570	6.0
175.54488	1.0
177.05527	3.3
178.06259	2.2
179.07033	29.2
181.08603	4.5
182.25105	1.2
189.08914	1.2
193.08609	39.4
196.07314	70.1
197.07649	2.5
203.07066	12.3
209.08080	7.8
210.08754	1.1
211.09657	67.2
213.77068	1.1
221.08134	16.4
221.11684	1.8
249.11412	1.3
267.08600	1.3
267.12430	1.5
285.09485	2.4
285.13257	4.4
285.24109	5.8
288.12405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01865	1.9
55.05511	7.6
55.29697	0.7
57.03434	6.3
63.08743	0.7
65.03934	0.8
67.05221	0.8
67.05508	10.3
69.03420	2.6
69.07059	1.5
69.34222	1.2
69.34625	3.2
71.04982	2.3
74.02431	1.4
77.03929	0.7
79.05043	1.2
79.05489	15.3
81.03416	71.8
81.07059	17.9
82.03726	1.1
83.04974	4.1
83.08620	15.5
85.02901	7.5
91.05476	11.9
93.07048	6.1
95.04969	21.3
95.08592	2.8
97.02886	1.9
97.06522	1.4
98.22733	1.5
105.07037	11.5
107.04940	5.1
107.08598	3.5
108.08084	0.7
109.06512	2.3
111.04464	1.0
111.08060	7.9
115.05462	1.0
117.07001	1.2
118.06526	3.3
119.04885	0.8
119.08594	8.8
121.10125	3.2
121.29005	0.7
122.96101	0.7
123.08070	1.1
129.06993	7.4
130.06528	16.0
131.07341	0.8
131.08554	5.4
132.08113	1.1
133.06491	2.5
133.10121	2.7
137.09673	0.9
139.43324	0.7
139.77740	0.8
142.07687	1.7
143.07300	2.0
144.08070	13.7
146.06004	5.1
147.08026	1.7
147.11652	6.1
149.09628	3.3
154.06558	3.6
155.07312	1.7
156.08154	3.6
156.10197	1.4
157.10114	7.4
158.05939	1.3
158.09576	0.8
163.11169	0.8
165.12766	2.4
165.88570	0.8
167.07297	10.3
168.08086	49.5
169.08818	3.6
170.09654	3.5
175.11154	10.0
180.08075	52.8
181.08694	4.2
182.09663	5.3
183.10399	1.1
184.07680	1.0
188.07024	5.1
192.08015	1.9
193.08887	9.8
193.12238	39.2
194.05991	2.0
194.09660	8.5
194.12465	1.5
195.09920	12.2
196.07472	0.8
196.11238	1.2
198.12729	1.3
200.07123	1.5
202.08636	1.1
206.09656	0.9
207.10475	3.4
208.07793	1.2
208.11214	26.9
209.11826	2.4
210.12767	2.1
211.13264	11.3
212.07076	2.4
212.14320	5.8
213.07864	3.8
213.64929	0.8
216.09007	0.9
222.12788	22.4
223.13142	1.3
224.14305	2.4
226.08598	2.6
250.12128	4.6
267.15906	11.3
268.13318	100.0
269.13797	4.3
285.12894	1.7
285.16461	13.6
285.22479	0.9
286.17108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	CHEBI:69050
Peak:m/z	Relative Intensity
53.03946	2.7
55.01867	3.7
55.05510	4.8
55.27139	2.3
57.03422	12.7
57.07068	10.5
61.02918	2.9
63.00025	2.4
67.05506	14.8
68.31875	2.1
69.03428	51.1
69.07068	7.9
69.26421	11.0
71.01340	2.8
71.04987	8.6
71.08619	6.9
73.51548	2.2
77.47153	2.6
79.05479	6.4
81.03419	21.1
81.07062	23.4
83.04967	16.5
83.08625	6.6
85.02900	71.2
87.04448	3.6
91.05483	7.8
93.07044	23.3
95.04935	12.4
95.08593	12.2
96.53396	2.2
97.02894	9.0
97.06511	7.3
99.04451	40.6
99.08083	2.9
105.07030	6.6
107.04980	5.0
107.08580	32.7
109.06509	34.0
109.10160	54.9
111.04406	5.3
111.08076	5.9
113.05991	10.6
115.03919	4.9
117.05472	4.7
119.08562	5.3
121.06525	3.1
121.10152	9.0
123.04420	4.3
123.08068	5.3
123.11701	52.1
123.12540	4.5
125.09599	18.8
125.13255	4.2
133.04959	4.3
133.06511	2.4
133.10114	10.8
135.11676	18.2
137.05931	3.2
137.13242	2.4
139.03865	4.2
143.08557	3.6
145.04945	17.2
145.10135	3.4
147.08070	3.7
147.11684	3.8
149.13222	2.6
151.11177	34.4
153.12714	21.1
157.10027	2.4
161.09656	3.0
167.03427	2.4
169.12233	100.0
170.12569	4.5
171.06516	3.4
175.07491	3.7
177.12671	2.7
193.07539	4.4
193.12263	3.7
211.09659	4.0
219.13629	3.7
221.11736	3.0
231.13794	4.5
249.14845	12.7
253.08659	3.4
257.09198	7.1
267.08221	9.5
267.15906	45.5
268.16248	3.3
285.08981	7.6
285.13797	4.3
285.16946	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03944	3.4
55.01878	4.5
55.05513	22.0
57.03441	41.2
61.02924	1.5
65.03934	1.8
67.05508	35.8
69.03426	6.6
69.07069	11.6
69.22163	7.2
71.04993	10.9
72.56715	1.0
77.03925	1.4
79.05493	32.1
79.05954	2.2
80.05807	1.2
81.03419	100.0
81.07059	43.8
82.03737	1.9
82.06590	1.3
83.04981	17.0
83.08623	35.0
85.02906	66.4
85.06544	3.6
91.05482	41.5
93.07046	26.4
95.04971	43.4
95.08606	15.7
97.02890	4.1
97.06549	6.7
97.10175	3.2
99.08074	1.5
100.07603	2.7
101.08026	1.3
105.04504	1.1
105.07031	29.9
107.04962	7.3
107.08582	11.0
108.08143	1.8
109.06507	7.6
109.10149	6.0
111.04465	2.3
111.08078	21.9
113.06023	6.7
115.05486	2.3
117.07048	2.3
119.08585	28.3
121.06574	2.7
121.10135	13.6
123.08070	4.4
123.11692	4.3
126.09184	3.4
127.09510	2.6
129.07007	15.2
131.08585	14.5
133.06483	2.7
133.10129	15.5
135.11678	1.4
137.09651	2.5
142.07806	4.1
145.10173	2.3
147.08044	2.7
147.11679	27.7
148.93636	1.1
149.02812	1.2
149.09616	8.9
157.10126	18.4
158.10492	1.3
163.11086	1.9
165.12781	5.7
175.11197	26.3
176.11595	1.2
193.12251	95.9
194.12621	2.5
211.13293	64.2
212.13741	1.5
225.09157	1.3
229.14439	1.2
252.19612	2.2
253.08661	4.4
253.19945	13.3
267.15961	11.7
285.11490	3.3
285.16986	92.0
285.22409	50.6
286.17422	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03944	2.1
55.01879	1.5
55.05254	0.9
55.05509	8.7
57.03432	10.5
67.05166	0.9
67.05505	14.8
69.03425	2.4
69.07067	4.0
69.31591	1.8
69.31979	1.5
71.04979	2.5
75.04494	0.8
77.25387	0.6
79.05485	13.1
81.03414	100.0
81.07053	14.5
82.03754	1.6
83.04977	6.6
83.08616	21.5
85.02901	13.6
91.05475	15.6
93.07043	8.6
95.04968	31.3
95.08617	3.8
97.02873	1.6
97.06543	2.1
97.10130	1.0
98.22713	1.3
99.08130	0.9
105.07033	13.1
106.07357	0.8
107.04950	7.2
107.08578	4.1
109.06524	3.0
109.10127	1.9
111.04456	2.4
111.08082	12.4
113.05987	1.6
115.05456	0.8
117.07027	0.7
119.04946	0.9
119.08579	10.9
121.06502	1.6
121.10153	6.1
121.18071	0.6
123.08060	2.1
123.11683	0.7
125.09584	1.2
128.06213	0.8
129.06992	8.4
131.07611	1.3
131.08536	7.7
133.06519	2.7
133.10098	5.8
137.09624	2.1
141.06938	0.8
142.07771	2.4
147.08035	3.6
147.11670	9.1
149.09627	5.3
157.10107	11.7
165.12733	2.6
173.09415	0.6
175.11172	13.7
193.12234	60.2
194.12560	1.4
211.13280	15.6
229.14342	1.1
253.19781	0.8
267.15906	14.6
268.16229	0.8
285.16959	15.9
285.26089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03940	2.8
55.01870	3.9
55.05515	17.3
56.73181	1.4
57.03436	39.1
67.05506	31.8
69.03429	3.9
69.07071	9.6
71.04998	8.9
79.05489	32.9
81.03416	86.9
81.07053	34.6
82.03713	1.6
83.04983	17.4
83.08621	27.4
85.02901	62.8
85.06564	4.1
91.05480	38.0
93.07045	22.8
93.14654	1.6
95.04967	36.6
95.08614	16.6
97.02876	2.7
97.06515	4.6
97.10167	3.4
98.23469	2.7
99.08121	1.6
105.07024	23.4
107.04949	5.8
107.08632	7.9
109.06520	4.9
109.10134	2.9
111.04445	2.7
111.08073	19.9
113.06016	4.5
115.05424	1.7
119.08578	24.9
121.06491	1.9
121.10145	13.6
123.08090	4.1
123.11703	3.3
125.09631	1.4
129.06993	11.7
131.08551	14.5
133.06508	4.2
133.10130	17.6
133.11060	2.3
137.09645	1.6
142.07825	1.9
145.10123	2.6
147.08018	3.8
147.11665	25.3
149.09624	7.8
157.10118	20.7
163.11147	2.5
165.12741	5.0
168.08075	4.4
169.08836	2.3
175.11189	21.5
183.64035	1.7
193.12242	79.8
194.12550	2.9
194.97021	1.4
207.39456	1.4
211.13301	56.0
212.14308	4.9
225.09103	2.4
249.11569	1.6
253.08618	3.3
253.19972	2.3
267.15924	10.1
285.11774	3.7
285.16974	100.0
285.21954	11.9
286.17291	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03937	2.6
55.01872	2.0
55.05508	7.2
57.03436	9.5
65.03916	0.8
67.05163	0.9
67.05505	14.0
69.03423	2.1
69.07063	2.4
69.38162	0.9
69.38549	1.0
71.04980	2.7
75.04472	0.6
79.05489	12.0
80.32594	0.5
81.03417	100.0
81.07051	13.3
81.07510	1.1
82.03738	1.6
83.04977	5.8
83.08619	19.6
85.02899	9.9
85.06564	0.8
90.78307	0.5
91.04943	1.0
91.05479	14.8
93.07048	6.9
95.04966	27.2
95.08601	4.3
96.05323	0.8
97.02867	2.6
97.06528	1.6
97.10197	1.5
99.08096	0.8
105.07025	9.8
107.04935	4.8
107.08586	3.4
109.06518	2.6
109.10127	1.3
111.04462	1.4
111.08076	11.8
111.08836	0.7
113.06019	0.9
115.05501	1.5
117.07024	0.8
119.04962	1.0
119.08582	9.7
121.06522	1.7
121.10141	4.6
123.08063	1.2
123.11701	0.8
129.07016	7.7
131.08556	6.2
133.06499	2.2
133.10132	3.1
137.09581	1.1
142.07779	2.3
145.10085	0.6
147.08029	2.3
147.11688	8.8
149.09599	4.3
157.10124	9.4
165.12720	2.5
175.09680	0.9
175.11179	11.0
185.37227	0.6
193.12236	51.1
194.12637	1.7
194.35112	0.6
211.13295	11.4
212.14053	0.7
229.14090	0.6
253.19933	0.8
267.15915	14.1
268.16312	1.0
285.11426	1.1
285.16946	12.5
285.22470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03941	2.2
55.01871	2.5
55.05512	8.4
57.03437	6.5
57.07072	1.3
64.08730	0.7
64.17512	0.6
65.03940	0.6
66.89755	0.6
67.05505	12.5
69.03430	2.9
69.07065	3.0
70.65845	0.7
71.04986	2.2
74.99820	0.6
79.05492	13.7
81.03417	100.0
81.07056	12.4
82.03728	1.0
83.04972	4.7
83.08122	1.1
83.08620	22.2
85.02904	6.3
91.05479	13.4
93.07042	6.5
95.04967	26.5
95.08611	3.2
97.02894	1.9
97.06543	1.8
97.10199	1.0
99.08071	0.8
101.21272	0.7
101.31610	0.7
102.98764	0.7
105.07039	11.0
107.04957	5.5
107.08604	2.6
109.06523	2.1
109.10164	0.8
111.04451	1.3
111.08088	10.3
115.05476	1.3
119.08566	9.5
121.06488	1.1
121.10110	3.8
123.08086	1.2
123.11689	1.5
125.09647	0.9
129.06998	8.3
130.06514	4.0
131.08556	6.3
133.06509	3.3
133.10130	2.6
137.09636	0.9
142.07797	1.9
144.08064	3.7
145.10153	0.8
145.92065	0.8
146.06000	1.3
147.08049	2.6
147.11670	7.4
149.09593	4.0
154.06529	1.5
156.08101	1.1
157.10103	8.2
165.12766	2.4
167.07312	2.5
168.08092	13.0
169.08882	1.1
170.09769	0.6
175.11192	11.6
180.08075	13.7
181.08794	1.1
182.09647	2.3
188.07059	1.8
193.08989	2.0
193.12238	59.6
194.05922	0.7
194.09798	3.6
194.12552	1.8
195.10022	2.2
206.09752	0.8
207.10378	0.8
208.11252	7.3
211.13289	13.2
212.07005	0.8
212.14346	2.6
213.07791	1.0
222.12772	7.2
223.13402	0.8
243.11467	1.3
250.12410	1.2
267.15863	13.9
268.13315	26.6
269.13638	0.9
285.12408	2.0
285.16855	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01870	2.5
55.05512	6.4
57.03438	7.5
67.05505	11.1
69.03429	2.8
69.07061	3.2
69.78313	1.0
69.78662	1.6
70.54068	0.5
71.04984	1.7
79.05497	13.1
81.03419	100.0
81.07058	11.8
82.03745	0.8
83.04980	5.6
83.08121	1.2
83.08617	21.0
85.02908	6.0
85.06545	1.2
86.74071	0.6
87.04473	0.6
91.05484	14.8
93.07051	7.6
95.04972	27.2
95.08611	3.1
97.02905	2.1
97.06564	1.2
97.10159	1.7
105.07030	10.2
107.04961	7.0
107.08609	3.5
109.06525	3.0
109.10152	1.6
111.04463	1.9
111.08085	11.0
112.08426	0.6
113.05988	1.0
115.05463	0.8
117.07052	1.1
119.04961	0.7
119.08585	10.2
121.06511	1.2
121.10135	6.0
123.08069	1.1
123.11703	0.7
125.09632	1.1
126.09129	0.6
129.06995	8.0
131.08566	7.6
131.23340	0.6
133.06483	2.8
133.10139	3.9
135.11674	0.7
137.09642	0.9
142.07791	2.3
145.10210	1.0
147.08057	2.9
147.11696	6.7
149.09601	3.8
151.11243	0.7
155.08611	0.6
157.10129	9.9
161.05940	0.7
165.07053	0.5
165.12753	2.3
168.08098	2.1
169.08910	1.1
175.11188	11.2
193.12242	49.5
194.12607	1.6
211.13281	9.1
212.14407	3.0
221.06029	1.0
231.14284	0.6
238.06015	0.5
249.14850	0.9
253.08667	1.4
253.20006	3.3
267.15933	14.5
285.03989	1.6
285.13113	2.9
285.16949	7.7
285.22360	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	286.0922
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03940	0.6
55.01867	0.5
57.03425	0.8
57.18900	0.3
59.05001	0.3
61.02920	1.8
62.06080	0.4
69.03429	3.3
69.28418	0.5
69.28804	0.6
70.06589	0.8
71.04994	2.4
71.18446	0.2
73.02902	0.9
75.04494	0.3
78.03440	0.4
80.05019	1.1
81.03407	1.5
81.07056	0.9
83.06107	0.6
84.08120	0.3
85.02906	11.3
87.04459	0.6
89.06020	2.2
91.03974	0.7
93.05509	0.8
95.01314	0.3
95.06094	0.6
96.04490	0.9
97.02893	3.0
99.04467	0.9
104.10741	0.6
106.06654	0.3
107.07058	2.7
109.02884	0.8
110.07159	5.6
112.08710	0.3
119.01936	0.3
124.03949	100.0
125.04280	1.5
127.03915	1.8
141.01804	0.5
145.04967	2.8
147.04761	0.2
154.07208	0.4
156.07718	0.9
163.12294	2.7
168.13841	0.6
184.06424	0.3
190.13301	0.5
208.14412	0.7
209.17198	0.3
212.85403	0.3
228.07123	0.3
236.14046	0.3
240.17047	0.4
254.15047	1.0
263.97571	0.4
268.16495	0.3
286.05002	0.5
286.09381	0.7
286.12750	0.5
286.17560	4.6
286.20209	0.4
287.05463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54728	0.2
51.77819	0.2
53.03938	0.6
55.01862	0.3
57.03435	2.5
61.02922	2.2
62.06092	3.1
69.03117	0.3
69.03436	3.6
70.06568	0.6
71.04998	1.2
71.41694	0.2
73.02921	1.0
75.04476	1.5
78.03439	0.3
80.05024	1.4
81.03409	1.6
85.02909	12.5
87.04463	0.5
89.06024	1.2
91.03954	1.1
93.05523	5.2
95.01324	1.1
95.06123	0.3
96.04499	0.9
97.02895	3.2
99.04439	0.3
103.03944	0.3
107.07077	1.2
109.02890	0.8
110.07201	1.2
112.07590	0.4
113.02353	0.3
124.03957	100.0
125.03496	0.3
125.04259	1.4
127.03894	2.3
141.01831	3.0
145.04965	2.7
159.02916	0.5
163.05905	0.5
163.12325	0.8
240.12448	0.3
251.07697	0.8
263.02994	0.4
266.06491	0.3
268.04404	0.5
286.05316	2.6
286.09222	0.8
286.12634	0.5
286.17578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2014
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
52.18097	0.2
53.03979	0.2
55.01874	0.3
55.05503	1.6
55.44390	0.2
60.93421	0.2
64.86086	0.2
65.03955	0.4
67.05487	0.2
68.05026	0.7
68.99786	1.8
69.41021	0.8
70.06592	2.1
71.08640	0.2
73.06563	1.6
79.05492	0.3
80.05000	0.2
81.07040	0.6
82.06566	1.2
83.04974	1.0
83.07333	0.2
84.08154	2.1
89.03910	0.3
91.39530	0.2
94.06558	0.3
95.04939	0.2
96.08128	3.0
105.07130	0.2
107.04939	0.3
109.08887	0.3
111.00815	0.5
115.05482	0.3
117.03413	0.2
118.06525	0.4
121.02878	1.8
122.05997	0.3
122.09663	1.7
123.04420	0.5
124.11230	27.2
125.12084	1.3
128.06192	0.3
129.07005	0.4
131.04959	0.3
135.04414	0.6
140.07069	0.3
140.10728	0.3
141.07053	0.3
142.03166	0.2
142.12270	53.5
143.12630	1.5
145.06491	0.4
146.06004	0.7
147.04408	0.7
148.07529	0.4
149.02338	11.2
150.03098	0.2
153.01836	3.3
157.06485	1.3
161.02368	0.3
163.03885	0.3
169.06459	0.3
171.04390	0.8
173.05989	0.3
175.03885	0.9
175.07471	0.2
177.05608	0.2
185.05995	2.4
188.03816	0.3
189.05447	0.5
197.05934	0.7
199.03912	0.9
201.05464	0.3
203.03412	2.4
203.07100	0.3
213.05461	3.9
217.04994	0.8
224.16582	0.3
227.03415	0.3
231.04169	0.4
231.06519	10.3
241.04926	2.9
242.17531	1.9
245.04480	0.8
259.06033	11.3
268.19052	1.5
269.04398	1.1
270.11224	0.2
286.20117	100.0
287.05478	9.7
287.13831	0.3
287.20450	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	286.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.6
56.05016	0.9
57.07075	14.6
60.08158	1.2
65.28398	0.3
67.05506	2.9
69.07068	1.6
71.08631	6.5
73.02914	2.1
79.05495	0.4
81.07056	3.0
83.08611	2.2
85.10181	3.8
86.06039	0.3
86.09677	0.3
87.04452	0.7
93.07009	0.5
95.08606	4.4
97.10162	1.3
109.10166	1.7
111.11718	0.2
123.11716	0.6
146.82719	0.2
179.30585	0.2
226.25230	0.3
227.20047	100.0
228.20409	4.2
231.24384	0.2
238.25273	0.9
250.25284	0.5
268.26340	8.5
269.26581	0.4
286.27396	38.7
287.05426	0.6
287.27768	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	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
55.01866	0.1
55.05500	0.2
57.03426	0.2
65.03935	0.3
65.41157	0.1
67.01864	0.3
67.05489	0.4
68.99431	0.1
68.99789	2.0
69.03429	0.2
69.07072	0.1
69.27324	0.2
69.27711	0.2
71.04966	0.1
79.05493	0.7
81.03427	0.5
81.07060	0.4
83.08609	0.1
85.02882	0.1
88.81667	0.1
91.05479	0.3
93.07042	0.3
95.01283	0.1
95.04987	0.4
95.08593	0.2
97.02882	0.1
97.06502	0.2
103.05492	0.1
105.03397	0.8
105.07012	0.2
107.04944	0.8
107.08590	0.1
109.02902	0.5
109.06511	0.2
109.10108	0.1
111.00801	1.4
111.04421	0.3
115.05464	0.2
117.07021	0.2
119.04894	0.1
119.08588	0.1
121.02869	5.3
121.03916	0.3
124.07618	0.1
127.03899	0.2
128.06216	0.2
129.07018	0.3
131.08582	0.1
133.02840	0.8
135.04431	0.2
137.02338	1.8
141.06999	0.2
145.06471	0.6
145.10110	0.1
147.04391	1.0
149.02379	0.1
149.13297	0.1
153.01823	8.9
154.02158	0.2
155.04880	0.1
155.06006	0.1
157.06473	1.2
161.05977	0.3
162.05489	0.1
165.01833	3.0
169.06474	0.1
171.04417	0.8
173.06000	0.2
175.03828	0.2
175.07492	0.1
177.05518	0.1
183.02896	1.4
183.04422	0.2
184.05122	0.1
185.05954	1.2
189.05460	0.3
197.05997	0.3
199.03877	0.7
201.05453	0.4
203.03496	0.2
203.07031	0.4
213.05461	2.9
214.05905	0.1
216.04178	0.2
217.04877	0.4
219.06485	0.3
229.04985	0.2
231.06534	1.2
241.04953	1.7
241.08716	0.1
242.05705	0.1
243.06511	0.2
245.04413	0.6
254.20096	0.2
258.05249	1.8
259.06012	0.8
263.05380	0.1
269.04462	0.4
286.22778	0.8
287.05481	100.0
288.05823	3.8
288.08603	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	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
55.01870	0.2
65.03938	0.2
67.01859	0.2
67.05505	0.6
68.99789	1.9
69.03413	0.3
79.05478	0.4
79.82184	0.1
81.03410	0.3
81.07033	0.2
91.05465	0.3
93.07048	0.2
95.04980	0.2
95.08601	1.0
103.05445	0.1
105.03398	0.8
105.07037	0.1
107.04961	1.1
109.02893	0.6
109.10139	0.7
111.00806	1.4
111.04436	0.4
115.05437	0.2
117.07010	0.2
119.04877	0.1
119.08575	0.5
121.02866	5.8
121.03818	0.2
126.06369	0.1
127.03896	0.3
128.06232	0.1
129.07071	0.5
133.02849	0.8
135.04417	0.3
135.08063	0.1
137.02333	2.0
137.09636	0.7
139.05446	0.1
141.06999	0.3
143.04921	0.1
145.06523	0.6
147.04396	1.3
147.08008	0.2
153.01822	9.1
155.06024	0.1
155.10690	0.3
157.06493	1.1
161.02371	0.1
161.05971	0.4
164.07115	0.1
165.01839	3.1
165.09116	0.3
169.06493	0.1
171.04410	0.8
173.05934	0.1
173.11760	0.2
175.03905	0.3
175.07558	0.4
177.05492	0.1
183.02928	1.5
183.04459	0.2
184.05211	0.1
185.05971	1.1
187.03960	0.2
189.05440	0.4
197.06000	0.4
199.03839	0.3
201.05443	0.2
203.03400	0.3
203.07054	0.5
213.05449	2.9
217.04910	0.2
219.06528	0.2
229.04953	0.4
231.06516	1.3
241.02783	0.2
241.04950	1.8
242.05623	0.2
243.06509	0.3
245.04404	0.3
258.05225	1.8
259.05997	0.9
269.04294	0.6
286.04703	0.2
287.05484	100.0
288.05811	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	287.055
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
52.59198	0.5
55.01861	0.5
67.05472	0.8
68.05025	0.4
68.99788	21.9
69.07053	1.7
69.80766	1.5
79.05484	0.4
80.05025	0.5
81.07037	0.5
91.05466	0.8
94.06571	4.8
95.04939	1.0
107.62736	0.4
111.00795	6.5
112.07605	0.7
115.05455	1.6
117.06996	0.5
118.06484	0.6
120.08078	0.8
122.06023	9.7
123.04423	0.6
129.07018	0.8
133.02826	0.7
140.07063	14.8
142.12143	0.5
143.04932	0.8
144.08070	0.5
145.06508	3.4
146.05995	1.9
147.04393	1.7
148.07555	13.4
149.02312	2.4
155.04893	0.6
157.06479	2.5
159.04424	0.8
161.05928	0.8
163.03883	0.5
171.04407	14.4
173.05977	6.2
175.03853	3.4
177.01938	0.7
177.05464	2.3
183.04536	0.5
185.05936	3.2
189.05421	3.0
191.07161	0.6
195.04434	0.6
196.05125	0.4
197.05983	1.0
199.03897	25.2
200.04272	0.8
200.07056	0.5
201.05458	8.9
202.05899	0.5
203.03407	6.5
213.05469	11.0
217.04950	11.4
218.05641	1.5
219.06506	9.4
223.03799	0.9
225.05479	0.6
227.03387	5.7
231.06543	2.1
241.04933	10.3
242.05499	0.7
245.04446	22.9
245.09076	0.9
246.04839	1.2
259.06119	3.0
269.04428	8.9
270.05093	0.5
286.20160	0.7
287.05484	100.0
287.13611	2.2
288.05838	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01868	0.1
55.60659	0.1
63.49570	0.1
65.03928	0.3
67.01845	0.2
67.05499	0.1
68.99421	0.1
68.99780	1.9
69.03407	0.2
70.45075	0.1
71.01366	0.1
72.22610	0.1
77.03910	0.1
79.05482	0.5
81.03394	0.2
81.07053	0.1
91.05472	0.2
95.04941	0.3
95.08585	0.1
97.02821	0.1
103.05434	0.1
105.03371	0.7
105.04512	0.1
107.04947	1.0
109.02870	0.6
111.00790	1.5
111.04430	0.3
115.05414	0.1
117.07014	0.2
119.04936	0.2
119.52921	0.1
121.02856	6.1
121.03946	0.4
121.06506	0.1
122.03143	0.1
123.04463	0.1
125.02334	0.1
127.03938	0.2
128.06181	0.1
129.07008	0.3
131.04919	0.1
133.02834	0.9
135.04410	0.4
137.02333	2.1
139.03886	0.1
139.05437	0.1
141.06972	0.3
145.06473	0.5
147.04391	1.4
147.07976	0.1
153.01810	9.7
154.02177	0.2
157.06474	1.1
161.05991	0.3
163.03903	0.1
165.01823	3.3
167.03349	0.2
169.06448	0.2
171.03018	0.1
171.04396	0.6
173.05959	0.1
175.03827	0.2
175.07550	0.2
179.03334	0.1
183.02872	1.6
183.04388	0.1
185.05940	1.2
189.05453	0.2
194.02095	0.1
195.04414	0.1
197.05945	0.2
199.03873	0.1
201.05429	0.1
203.03357	0.1
203.07025	0.3
212.04678	0.1
213.05443	3.0
214.05814	0.1
216.04257	0.1
217.05020	0.2
229.04895	0.4
231.06509	1.2
241.04909	1.6
242.05632	0.1
243.06500	0.2
245.04488	0.1
257.04437	0.1
258.05219	2.0
259.06030	0.7
263.05322	0.1
269.04437	0.4
269.17404	0.1
286.04712	0.1
287.05463	100.0
288.05807	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83003	0.4
55.83028	0.4
71.02814	0.5
73.95175	0.5
91.75133	0.5
110.07182	2.7
111.07500	1.1
145.49277	0.4
155.37245	0.5
164.12640	1.2
255.15186	0.8
287.11008	100.0
288.11343	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
52.26116	0.4
55.05499	0.8
56.90174	0.4
60.05659	0.8
61.79642	0.4
68.19155	0.4
68.99792	2.1
69.07082	0.6
69.64918	1.0
70.06607	2.9
71.04987	0.6
72.08141	1.1
79.05509	1.0
81.07058	1.5
83.04974	0.7
84.08114	0.5
85.02899	0.9
85.06535	0.9
86.37059	0.3
88.00842	0.4
91.05488	0.5
95.04936	0.9
95.06053	0.4
95.70264	0.3
96.06877	6.0
97.02909	0.5
97.07633	0.7
98.98443	0.5
101.06026	0.8
106.06582	0.5
107.04961	0.3
109.02925	0.3
109.07642	0.5
111.00822	0.5
111.04427	1.3
111.11687	0.6
112.07585	0.4
112.08712	0.6
113.06004	3.0
113.96417	0.4
116.07066	1.0
117.07053	0.5
119.01920	0.4
121.06486	0.4
124.03948	1.8
124.07661	0.4
125.00069	0.4
125.04296	1.0
125.07129	8.5
125.07991	0.8
126.12790	2.9
128.75650	0.4
139.03893	1.2
144.11363	0.4
149.05928	0.5
151.03821	0.6
153.01825	1.3
153.06602	0.6
157.06551	0.6
158.09212	0.5
159.08060	0.7
163.03862	0.4
171.04468	0.9
171.07646	17.9
173.05888	0.6
173.07193	0.5
175.03821	0.4
175.11928	1.2
177.09099	0.7
185.05980	0.4
187.07610	0.6
189.05490	0.4
190.95139	0.4
199.03854	2.2
199.19115	0.7
201.05533	0.6
203.03398	0.5
205.05217	0.4
205.08643	0.8
213.05443	1.4
217.05037	0.6
219.06468	0.6
223.09604	2.2
223.14511	0.4
227.03494	0.8
233.08267	0.8
241.04889	0.6
243.18106	0.6
245.04491	1.3
251.09064	0.7
269.04419	0.7
269.10260	0.7
269.14890	8.3
287.05530	6.4
287.11017	100.0
287.15704	18.7
288.11316	2.4
288.16400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1125
Annotation	Homoarbutin
Peak:m/z	Relative Intensity
51.52853	0.8
55.01862	6.4
55.05510	21.0
59.04996	3.4
59.25884	0.9
63.00047	0.8
63.18958	0.8
65.03942	2.6
67.05499	9.6
68.99783	4.7
69.03433	1.4
69.07058	1.7
70.06583	1.6
79.05484	7.6
81.03429	1.2
81.07046	2.6
83.04977	27.5
85.02900	2.7
91.05495	4.8
93.03423	2.0
93.07047	2.1
95.04958	4.3
97.02884	3.5
101.06018	20.9
101.06654	1.4
105.07026	2.6
107.04952	3.0
107.08618	3.8
111.00858	1.5
111.04436	61.8
111.11752	0.8
115.05486	1.5
116.07085	1.0
117.07035	4.9
119.08573	1.2
119.94578	0.8
121.02878	3.3
121.06506	1.7
123.04429	4.6
125.05990	1.1
129.05475	12.5
129.07010	2.6
131.04959	1.8
131.08563	15.1
133.06506	2.6
135.08044	12.6
139.03897	32.1
139.04977	1.6
139.67117	0.9
141.05455	1.7
141.06990	4.6
144.05658	1.2
144.13832	2.1
145.06511	5.6
146.05966	5.1
147.04396	1.1
147.06520	3.5
149.02373	1.9
149.05962	2.5
149.09587	2.1
151.07529	2.6
155.03415	1.7
157.04965	17.0
157.06207	1.7
159.08052	19.4
161.05983	6.2
163.03844	1.8
163.07567	5.6
167.03392	2.8
167.07065	1.1
169.06404	1.1
171.02905	3.7
171.04424	3.3
171.08128	1.0
173.06017	2.3
175.03966	1.0
177.07550	1.3
177.09097	25.4
178.09499	1.1
179.07133	1.7
185.04457	8.4
187.07524	22.3
188.07953	0.9
189.05548	1.8
191.07085	2.6
195.10083	1.1
199.03912	5.9
200.04794	0.9
201.05501	1.4
203.03462	1.8
205.08589	26.7
205.10440	1.6
205.33690	0.9
213.05432	2.2
215.07031	10.6
217.04927	1.9
219.06601	1.7
220.09381	0.8
223.09637	100.0
224.10037	4.5
225.07790	0.9
227.03508	1.2
233.08076	18.7
234.08411	0.9
241.04878	1.3
245.04504	3.7
251.09134	24.4
259.06226	1.1
269.10208	19.0
287.05521	18.9
287.10858	3.5
287.19574	1.0
294.64624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1253
Annotation	CAY10616
Peak:m/z	Relative Intensity
54.65796	0.5
67.05482	1.7
68.99789	1.2
69.07038	1.0
70.06162	1.6
81.07033	1.7
83.08624	0.6
91.05489	0.6
93.07016	0.8
95.57256	0.5
98.23446	0.6
104.01669	0.6
105.07027	0.7
109.02818	0.5
121.06431	0.6
144.08095	1.2
146.06044	0.5
147.11729	0.6
149.13338	0.8
152.06316	0.6
153.01828	2.0
159.37209	0.5
167.07237	0.7
168.08067	3.2
171.04375	0.6
175.98698	0.5
181.08759	0.8
188.07034	0.8
199.03874	1.5
203.03404	0.8
210.12756	1.0
213.05435	0.8
214.15955	0.7
217.05058	0.9
226.10994	0.7
227.03491	0.6
245.04453	1.4
269.04556	0.6
269.12823	1.5
270.14850	4.9
287.05554	29.5
287.12494	100.0
288.05722	1.2
288.12787	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01871	0.8
55.05503	0.9
65.03954	0.6
67.05496	6.0
68.05028	2.7
68.99792	21.8
69.03428	1.6
69.06711	0.8
69.07066	15.9
69.94788	1.1
70.06598	0.5
70.60593	0.4
71.04951	0.7
72.08149	1.7
77.03934	0.6
78.40319	0.4
79.05495	3.3
80.05006	2.8
81.07068	0.9
81.77424	0.5
83.04973	0.9
83.65395	0.5
84.08131	1.3
86.09692	1.1
91.05473	1.8
93.05818	1.1
93.07043	1.6
94.06568	38.4
95.04967	6.5
95.06924	0.9
95.08608	1.1
96.04522	0.9
97.06537	2.0
98.06063	0.7
98.09656	0.5
98.22830	0.7
99.04441	0.5
103.05465	0.7
104.05013	0.6
105.04515	0.9
105.07025	0.9
107.04961	0.5
109.02850	0.6
110.06032	1.3
111.00796	6.7
112.07602	6.7
115.05460	1.0
117.07061	0.5
118.06532	8.6
118.07316	0.8
119.07330	3.0
120.08112	4.6
122.06026	76.8
123.04433	3.5
123.06401	0.8
123.08064	0.8
124.07617	0.5
125.05993	0.5
127.03891	1.1
129.07004	1.1
129.10304	0.6
131.04889	0.7
133.02869	0.5
135.11665	0.5
137.05841	0.5
139.05461	0.5
140.07060	100.0
141.07365	2.1
142.08650	1.0
144.08134	1.0
145.06523	2.3
146.06003	9.5
147.04401	2.2
147.06827	3.2
148.07567	98.8
149.02367	1.5
149.07910	2.2
150.03293	0.5
156.52573	0.5
157.06490	2.5
159.04460	0.8
161.06010	0.8
164.07103	0.7
167.07060	0.6
169.06339	0.5
171.04411	14.0
172.07579	0.6
173.05983	6.6
175.03923	3.5
176.04674	0.5
177.05476	1.4
181.08743	0.5
185.05919	3.8
189.05486	3.1
191.07051	0.7
191.10759	0.6
193.04926	0.5
195.04373	0.6
199.03899	20.8
200.04300	0.9
200.07094	1.3
201.05487	7.6
203.03397	4.8
205.12259	0.7
213.05453	8.6
214.05876	0.5
214.12320	1.0
217.04971	9.9
217.07007	0.3
218.05482	1.0
219.06531	9.7
223.04124	0.6
224.10786	0.5
227.03372	6.1
231.06564	1.5
233.11690	0.5
241.04993	8.8
242.05324	0.5
242.11717	3.0
243.14952	5.0
245.04456	19.6
245.09074	2.8
246.04803	0.7
259.06042	3.1
264.80267	0.5
269.04431	7.3
269.12772	2.9
270.05084	0.8
270.11169	4.7
287.05496	85.5
287.10568	3.3
287.13882	15.5
287.16904	0.9
288.05789	5.1
288.14584	0.6
305.14978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1619
Annotation	Abacavir
Peak:m/z	Relative Intensity
57.07061	1.7
69.50463	2.0
69.50845	1.9
81.07045	1.0
89.90827	0.7
91.05476	0.9
95.08590	0.9
95.44058	0.8
98.22771	1.3
98.23390	1.9
107.08628	1.0
155.13483	0.8
177.06822	1.3
210.63748	0.8
220.79749	0.8
254.94485	0.8
279.61240	0.8
286.30978	2.8
287.05609	6.5
287.16162	100.0
287.31421	3.5
288.16556	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	287.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
57.07070	2.7
67.05506	1.3
68.99774	1.7
69.03420	0.7
69.07073	0.8
70.24399	1.6
70.53056	0.6
74.02423	1.8
79.05482	1.9
81.07047	2.3
81.45261	0.7
85.02899	1.5
86.03251	0.7
91.05472	0.7
93.07033	1.9
95.04984	0.7
95.08630	1.3
95.90929	0.6
106.33602	0.6
107.08541	0.9
115.71951	0.6
116.29903	0.5
118.06509	3.4
119.08564	0.6
121.02853	0.7
129.07014	0.7
130.06532	15.2
132.08076	1.9
142.06450	0.6
143.07309	1.7
144.08080	26.6
146.06013	7.8
147.04404	0.8
153.01796	0.8
154.06514	3.9
155.07271	2.3
156.08096	3.8
157.08971	1.3
158.06056	1.1
158.09622	2.0
158.11743	1.4
167.07301	5.8
168.08075	54.8
169.08798	3.4
170.06143	0.7
170.09570	3.0
171.04404	0.9
178.79631	0.5
180.08058	0.8
181.08798	5.0
182.09644	9.9
185.05898	0.6
188.07079	9.2
195.10402	0.9
196.07565	2.6
196.11169	1.4
199.03888	1.8
200.07069	2.1
200.14281	1.0
210.09358	3.6
210.12772	20.6
210.14766	1.0
211.13174	1.3
212.14325	2.8
213.05501	0.7
213.07877	0.9
214.08531	1.7
214.15903	17.7
215.16232	0.8
217.04985	0.9
224.14313	18.0
224.16446	1.1
225.14563	1.0
226.15910	1.2
228.10168	1.3
228.13823	2.3
241.04814	0.9
252.13873	3.3
254.15150	0.7
270.14871	100.0
271.15231	4.6
287.05472	18.4
287.17517	12.6
288.05948	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.0
57.03428	19.1
57.07058	5.9
67.05214	5.0
67.05507	56.1
68.99783	7.1
69.07069	22.5
69.27803	15.3
69.31469	5.2
71.05007	7.5
79.05497	31.1
79.09432	4.0
81.07060	68.9
83.04974	8.3
83.08607	11.9
91.05457	14.2
93.07043	58.6
95.04995	7.7
95.08606	20.1
96.57256	4.4
97.06530	16.1
105.07006	10.3
107.08593	25.2
111.08106	8.5
117.07014	7.9
119.08619	5.0
119.09492	4.6
121.10153	25.1
131.08536	8.0
132.45160	4.7
133.10161	7.5
135.11705	10.6
147.11659	6.2
148.36099	5.4
149.13278	42.2
153.01859	10.7
159.11682	26.0
171.04344	6.6
177.12776	13.9
195.13840	13.5
199.03818	11.8
201.05566	5.5
207.03758	4.5
244.16971	14.2
245.04350	7.9
262.75406	4.9
269.17474	87.6
270.17978	8.2
273.74841	5.2
287.05487	100.0
287.13947	7.2
287.17157	9.4
287.23877	4.6
288.19675	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	287.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
55.05515	17.2
57.03434	17.7
57.07070	2.4
65.03943	2.0
67.05508	63.6
69.04546	3.8
69.07068	24.3
71.04993	6.9
77.94581	1.6
79.05501	33.2
81.07057	81.1
83.04990	7.0
83.08618	16.1
85.06541	4.8
91.05480	17.2
93.07048	61.4
95.04961	6.0
95.08608	21.4
97.06530	15.0
99.08109	5.4
105.07030	7.1
107.08595	34.0
109.10153	3.7
111.08081	8.3
113.75817	1.8
117.07000	4.5
119.08588	3.5
121.10149	22.8
123.11701	2.9
125.09639	2.7
127.84612	1.8
131.08572	10.7
133.10132	10.4
135.11647	9.7
139.11189	3.5
147.11632	4.0
149.13251	50.6
159.11696	17.7
173.60500	1.9
177.11394	2.5
177.12703	12.9
195.13844	21.9
219.17416	7.0
226.76944	1.8
269.17487	100.0
270.17755	3.4
287.05518	21.4
287.16440	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	287.2218
Annotation	Actinopolysporin B
Peak:m/z	Relative Intensity
55.01892	3.0
55.05508	24.2
56.91382	2.4
61.46339	2.6
67.05502	40.6
69.07066	25.0
69.25447	15.6
69.27795	2.7
70.77732	2.3
71.04971	5.0
78.04169	2.5
79.05481	21.4
81.07052	54.6
83.04980	6.3
83.08618	12.8
87.04483	3.1
87.14942	2.6
91.05476	7.0
93.07044	27.7
95.08598	59.1
97.06522	6.9
97.10152	12.1
101.92426	2.9
105.07016	6.0
107.08604	12.9
109.10155	29.9
111.08080	6.5
119.08578	6.2
120.33909	2.5
121.10147	20.0
123.11696	11.3
131.08548	3.4
133.10141	10.6
135.11656	9.4
137.09616	4.3
137.13239	3.2
139.11125	9.1
145.10162	6.8
149.13200	4.8
159.11726	3.7
171.01419	13.9
175.14839	3.2
203.12730	5.8
215.17918	7.8
233.18967	21.1
251.20062	100.0
252.20410	6.2
261.13409	4.9
269.21152	22.2
287.05408	19.4
288.05804	2.8
288.25220	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	288.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05504	0.9
57.03433	1.3
59.81117	0.7
61.02913	2.6
65.03947	1.6
67.05489	1.2
68.99789	0.9
69.03434	5.6
69.07062	1.3
69.37878	0.8
70.06577	0.8
71.04977	0.8
72.08154	2.3
73.02921	1.6
79.05511	1.3
81.03419	1.1
81.07050	1.0
85.02905	23.9
85.06536	0.8
86.09695	1.5
87.04472	1.3
91.05480	100.0
92.05828	2.6
97.02892	22.0
98.06105	0.8
99.04482	1.2
105.07013	0.9
109.02875	2.2
111.00813	1.2
115.03930	2.6
117.07040	1.6
121.10216	0.7
122.06020	1.7
123.04466	1.1
127.03925	4.2
129.06972	1.3
133.06465	1.4
139.03893	17.2
140.07063	1.1
141.07390	0.8
142.08635	1.0
143.08580	1.0
145.04964	9.1
145.06450	1.0
148.07607	1.0
149.07954	1.2
151.03889	1.5
161.04462	1.9
163.03935	2.1
163.06006	2.0
165.05466	0.8
171.04239	0.8
171.08093	1.4
179.07033	0.9
180.08679	1.5
184.05214	0.9
205.05051	1.7
217.08524	1.6
227.07054	1.0
235.09711	1.2
246.04672	0.9
288.06067	5.2
288.09689	5.7
288.18060	1.1
289.07050	4.0
289.14575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10351	0.6
55.01872	0.9
57.03436	1.3
61.02923	2.2
61.45305	0.5
65.03943	1.3
68.99802	0.9
69.03432	3.8
69.07063	1.6
69.70946	1.2
70.06581	0.7
72.08163	0.8
73.02927	0.9
78.62941	0.5
79.05481	0.9
81.03419	1.7
85.02911	23.0
86.09702	1.0
87.04498	1.2
91.05483	100.0
92.05814	2.6
95.08621	0.7
97.02258	1.1
97.02894	22.1
97.28146	0.5
98.23434	0.7
99.04469	0.9
102.31343	0.5
105.07030	1.2
109.02886	2.3
109.10178	0.6
111.00710	0.6
115.03927	2.4
117.07034	1.5
123.06440	0.6
127.03933	5.3
129.05490	0.7
129.07022	0.9
129.10223	1.0
133.06467	0.9
139.03915	14.0
140.07076	0.6
145.04982	8.1
145.06494	1.0
147.06323	1.1
148.07559	1.0
149.06084	0.6
151.03976	0.7
157.06520	1.1
161.04457	1.4
161.05911	0.6
163.03926	1.7
163.06042	2.0
171.08032	1.1
172.04785	0.6
173.69597	0.5
174.29042	0.6
175.03854	0.6
175.07631	0.7
180.08626	1.6
199.07530	1.0
205.05003	0.8
207.10202	0.7
217.08618	1.9
218.34816	0.5
235.09705	0.7
246.04871	0.9
253.10654	1.2
270.13370	0.9
286.82047	0.5
288.05875	5.3
288.09894	2.0
288.14642	0.6
288.17831	0.6
289.07025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.5
69.02143	2.8
70.06593	9.6
71.43561	2.9
82.99851	8.4
95.39500	3.3
97.01412	4.4
98.97571	19.6
99.04472	5.7
101.00880	72.3
109.02859	5.7
109.07670	3.7
113.00880	5.3
115.02427	14.2
115.94648	3.8
116.98653	5.9
119.01917	100.0
120.02142	4.7
127.03916	25.8
127.04841	3.8
127.08672	7.0
129.04012	5.4
131.01917	17.9
131.98569	5.0
133.03482	22.7
134.03641	4.1
137.02936	16.5
137.22090	3.7
139.03903	9.8
143.01892	29.3
145.03490	7.9
145.49445	3.2
147.01378	6.3
147.05061	7.9
157.03484	4.1
161.02945	65.5
163.04420	3.3
168.99826	7.6
169.03433	4.7
171.01389	10.3
173.02948	8.2
174.97601	3.7
187.00887	24.3
187.04422	17.4
189.02473	6.6
191.03925	4.3
196.99295	6.0
199.00912	6.6
199.04565	12.6
201.02446	3.4
201.06134	3.8
205.02008	7.7
215.00374	27.6
216.98790	4.6
217.01994	17.2
217.05685	5.6
219.03612	5.9
221.04945	4.0
229.01935	6.8
229.05551	4.3
230.06940	4.3
233.01398	5.2
247.02963	21.2
248.08052	5.8
265.03964	5.6
289.03644	6.0
289.06683	67.9
295.84735	3.9
307.05319	8.1
307.08691	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	289.0708
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
51.56158	0.2
53.00305	2.0
55.01869	0.5
65.03945	1.9
67.05495	0.5
68.99784	3.1
71.43164	0.3
79.05482	0.8
85.02914	0.3
89.03897	0.3
91.05506	0.3
93.03368	0.6
93.07005	0.3
95.04965	0.6
103.05521	0.4
105.03393	0.5
105.07027	0.5
107.04932	0.9
111.00811	4.4
111.04454	0.8
117.03414	0.4
121.02847	2.7
123.04445	3.4
124.03589	0.3
127.03910	1.2
131.04909	0.5
133.02838	0.6
133.06448	0.5
135.04433	1.5
137.05946	0.3
139.03900	100.0
140.04239	1.9
140.56125	0.3
141.07010	0.5
145.02881	0.6
145.06511	0.4
146.03616	0.4
149.02390	0.3
149.05965	3.0
151.03906	11.2
159.04405	1.3
161.05975	0.9
163.03899	12.8
164.04645	1.2
177.05492	1.8
179.03401	5.1
179.06990	2.6
197.05986	0.9
199.07631	0.3
203.07115	0.4
203.34172	0.3
205.04971	15.6
206.05292	0.4
215.07048	0.4
219.06563	0.3
229.05003	1.2
243.06540	0.6
247.05997	1.5
253.05095	0.4
261.07715	0.4
271.06113	1.8
289.07037	27.8
289.14017	0.9
290.07562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Dehydroaltenusin
Peak:m/z	Relative Intensity
50.79333	0.3
53.00307	1.1
53.24739	0.4
55.01863	0.8
65.03940	2.4
67.05494	1.3
68.99796	2.9
70.69633	0.5
77.03912	0.6
79.05473	0.7
85.02902	0.4
89.03918	0.9
91.05473	1.2
93.03396	0.6
95.04973	2.6
105.03370	0.7
107.04949	5.2
111.00788	2.7
111.04441	1.0
115.05473	0.6
117.03367	1.2
119.04942	0.7
121.02846	3.5
121.06535	0.4
123.04427	27.4
124.04733	0.6
127.03934	0.7
131.04938	1.2
133.02811	0.7
133.06502	0.4
135.04448	2.3
139.03899	100.0
140.04243	2.3
141.06926	1.0
145.02821	1.3
145.06490	0.7
147.08128	0.7
149.02330	12.4
149.05974	2.0
151.03900	10.1
153.01819	3.3
155.04843	0.5
159.04395	1.3
161.06013	0.6
163.03906	11.9
164.04652	0.7
169.06476	1.4
173.05936	0.6
177.05478	1.4
179.03375	3.0
179.07014	1.7
185.05997	0.6
187.03937	1.7
187.07568	0.7
197.05956	2.4
201.05464	0.6
205.04973	9.7
206.05235	0.7
215.07025	14.2
216.07347	0.6
225.05412	1.0
229.04933	0.4
243.06531	17.9
244.06966	0.6
245.41272	0.4
247.06020	0.8
253.04929	0.9
271.06021	8.9
289.07071	21.0
290.07300	1.0
305.30579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01834	0.9
61.19938	0.5
65.03938	1.3
67.01849	0.9
68.99786	3.2
69.03424	0.6
69.18668	2.3
69.19078	1.1
79.05462	0.8
81.03394	1.1
91.05476	3.8
95.04970	0.7
103.05505	0.6
107.04259	1.2
107.04955	19.5
111.00828	0.7
111.04411	0.6
115.17532	0.6
119.01618	0.9
119.04910	2.4
121.02869	8.6
122.02754	0.7
123.04396	2.3
125.87170	0.6
127.03879	1.1
131.04907	1.8
131.08554	1.1
135.04434	1.1
139.03902	13.4
141.06985	4.4
145.02811	1.5
145.06508	1.2
147.04407	2.1
147.08014	2.1
149.02341	69.8
150.02698	1.4
151.03889	0.9
153.00639	1.0
153.01830	15.9
153.06993	1.1
159.04431	1.9
159.08038	1.1
163.03905	1.3
167.03401	1.4
169.06482	6.4
173.06018	1.1
181.06522	1.0
183.02820	0.6
185.05948	0.7
187.03935	0.8
187.07570	1.7
197.05949	6.2
205.04909	1.1
215.07025	79.4
216.07359	2.3
225.05540	1.5
243.06529	100.0
244.06857	4.3
253.05037	1.9
271.06006	39.8
272.06259	1.5
289.06934	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	289.0708
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
53.00303	1.6
65.03936	1.3
67.05516	0.3
68.99783	2.9
70.36139	1.0
79.05479	0.7
89.03950	0.4
93.03420	0.6
95.04973	0.5
97.02888	0.6
98.23318	0.4
100.20480	0.4
105.07079	0.4
107.04955	0.5
107.37168	0.4
109.02853	0.4
111.00803	3.9
111.04420	0.4
117.03368	0.6
121.02872	2.4
121.06522	0.5
123.04432	4.0
127.03931	1.2
131.04883	0.7
133.06471	0.5
135.04424	1.3
139.03894	100.0
140.04248	1.5
141.07025	0.4
145.02849	0.4
145.06564	0.4
149.05965	3.4
151.03908	11.0
151.05055	0.7
152.04221	0.4
159.04387	1.0
161.06017	0.6
163.03911	13.4
164.04518	0.7
173.05945	0.4
177.05498	1.7
179.03386	5.3
179.07025	2.5
197.05952	0.7
201.05495	0.4
203.06995	0.5
205.03033	0.8
205.04958	15.6
206.10042	0.3
215.06860	0.6
225.05394	0.6
229.04948	1.2
243.06625	0.6
247.06026	1.6
261.03955	0.5
261.07507	0.4
271.05951	1.8
272.52798	0.3
289.07056	26.5
290.07474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
53.00295	1.6
65.03922	1.5
68.99795	3.8
74.25552	0.3
79.05508	0.5
81.03429	0.4
81.07043	0.4
89.03921	0.4
91.05488	0.5
93.02752	0.4
93.03388	0.8
93.07035	0.4
95.04945	0.5
105.03373	0.5
107.04953	1.6
111.00803	3.5
111.04439	0.9
115.05484	0.5
117.03346	0.5
117.99049	0.3
121.02869	2.6
123.04426	3.6
127.03922	0.9
131.04912	0.4
133.02866	0.4
133.19655	0.4
135.04385	1.2
137.05969	0.5
139.03897	100.0
140.04233	1.7
145.02965	0.4
145.06517	0.5
147.04463	0.4
149.05977	3.5
151.03902	11.2
159.04376	0.8
161.05956	1.1
163.03900	13.9
164.04646	0.7
172.31602	0.4
177.05464	1.5
179.03403	5.2
179.07045	3.4
186.38672	0.4
189.03090	0.7
197.05995	0.8
205.04958	15.7
206.05421	0.4
215.07106	0.6
225.05351	0.5
229.05022	1.7
243.06496	0.9
247.06032	2.8
253.04987	0.5
261.03952	0.4
261.07776	0.4
271.05847	2.1
289.07068	28.6
289.14108	1.4
290.07379	0.7
299.37906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
51.02381	0.2
53.00299	1.6
55.01872	0.2
55.05515	0.2
57.03406	0.2
65.03941	1.9
67.05493	0.3
68.99788	2.6
69.07049	0.3
69.50713	0.5
69.51077	0.2
77.03914	0.2
79.05500	0.5
81.03437	0.2
81.07036	0.3
83.04956	0.2
89.03902	0.2
91.05492	0.3
93.03410	0.6
93.07052	0.3
95.04978	0.3
95.08561	0.2
98.22704	0.2
105.03387	0.7
105.07034	0.3
106.63607	0.1
107.04942	0.4
107.08590	0.2
109.02860	0.2
111.00800	5.0
111.04455	0.5
115.05505	0.2
117.03393	0.5
117.68169	0.2
118.99485	0.1
119.08586	0.2
121.02869	2.9
123.04427	1.1
127.03902	0.8
131.04945	0.4
131.08606	0.1
133.02832	1.4
133.06471	0.2
135.04417	0.9
139.03899	100.0
140.04247	2.3
141.07002	0.2
145.02840	0.6
149.02342	0.2
149.05959	1.3
151.03903	6.8
152.04242	0.2
153.01865	0.2
159.04396	0.8
161.06049	0.7
163.03900	15.8
164.04366	0.5
173.06052	0.3
177.05472	1.0
179.03400	0.5
179.07022	2.9
187.03958	0.3
197.05962	0.7
200.50125	0.2
201.05522	0.3
203.07077	0.3
205.04967	6.4
205.12125	0.2
206.05333	0.3
215.07043	0.3
215.10622	0.2
219.06595	0.3
225.05457	0.3
229.04872	0.7
231.10179	0.2
243.06567	0.5
247.06013	0.6
261.07397	0.2
271.06055	1.0
271.13202	0.3
289.07056	32.1
290.07361	1.5
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	phenoxy radical VI
Peak:m/z	Relative Intensity
52.79045	0.3
53.00306	1.3
53.40997	0.3
65.03945	1.5
66.80070	0.3
68.99799	1.8
69.55468	0.5
69.55875	1.1
72.08147	0.3
78.85878	0.3
79.05483	0.4
81.07062	0.5
83.04984	0.4
84.52950	0.3
88.49190	0.3
90.23487	0.3
93.03407	0.4
94.06585	0.3
95.04982	0.5
97.07636	0.5
105.03389	0.4
107.04965	0.9
111.00814	2.7
111.04482	0.5
114.10275	1.4
121.02860	3.1
122.06072	0.6
123.04453	3.9
127.03891	0.9
131.04961	0.4
133.02863	0.5
133.06514	0.4
135.04408	1.8
139.03902	100.0
140.04291	1.5
140.07069	0.9
146.03685	0.4
149.02341	0.3
149.05939	1.5
150.09131	3.6
151.03912	10.1
159.04385	0.7
161.05972	0.8
163.03912	8.9
164.04594	0.6
169.06390	0.5
169.10252	0.3
175.99359	0.3
177.02142	0.3
177.05458	0.9
179.03403	4.1
179.06976	1.8
197.06003	0.5
198.06050	0.3
205.04973	11.1
215.07169	0.7
229.04967	0.8
247.06047	0.6
271.05917	1.5
271.10168	0.4
289.07062	22.9
290.07022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03699	0.6
53.03949	9.3
55.01878	2.5
55.05509	0.4
57.03440	2.4
61.02929	0.5
67.05502	0.7
68.02642	0.7
69.03429	8.1
70.06589	1.0
71.01361	2.2
71.04633	0.5
71.04996	7.0
73.02917	0.5
77.75300	0.3
79.05486	1.1
81.03422	18.6
81.04512	2.3
83.04992	1.2
84.08125	0.4
85.02905	8.0
88.29910	0.3
91.05490	1.0
95.04974	1.2
97.02900	7.1
99.03802	0.9
99.04458	16.8
100.04753	0.4
103.03948	0.6
103.05453	1.0
105.07024	0.7
107.04914	0.9
107.98761	0.4
109.02885	24.3
109.06541	0.5
111.04472	2.0
113.02369	0.6
117.05470	1.2
119.04966	1.0
121.02862	0.6
121.06504	0.6
123.04418	2.2
123.08042	0.4
127.03923	100.0
128.04268	1.3
131.04913	0.7
133.06552	0.4
135.04419	1.5
137.02400	0.7
137.05940	0.5
139.03902	8.6
142.40302	0.4
144.10223	0.9
145.04979	1.3
149.05965	0.7
149.35049	0.3
151.03891	1.8
155.03418	0.4
163.03912	1.0
163.07561	1.3
165.05455	1.0
167.07123	0.5
169.04991	0.9
171.08026	0.5
172.95329	0.4
173.04437	0.7
175.03880	0.4
175.07480	0.4
177.05475	0.6
179.07056	0.4
181.04951	0.8
191.07172	0.5
193.05014	1.6
196.69292	0.4
199.06056	1.1
205.04994	0.7
207.10123	0.6
209.08131	1.3
211.06036	0.9
223.06062	1.5
225.07605	0.5
235.09685	0.7
253.07045	1.7
271.08084	1.1
289.09546	1.1
289.14969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01866	8.5
55.05492	2.3
57.03425	1.4
65.03940	4.4
67.05500	9.4
68.62121	1.0
68.99784	4.4
69.03410	2.2
70.55035	1.0
71.01340	2.3
71.04998	2.0
76.87119	1.0
77.03935	2.1
77.96007	1.0
79.05481	14.4
81.03424	3.5
81.07040	7.0
83.04977	10.0
85.02906	7.6
85.06541	2.5
91.05479	28.2
93.03387	2.5
93.07035	14.1
95.04962	9.4
95.08589	2.0
96.01872	1.0
97.02863	1.4
97.06500	2.8
98.97587	1.5
103.05462	40.8
105.03372	2.8
105.07021	19.9
107.04942	7.7
107.08611	1.6
109.02872	1.4
109.06481	7.6
111.04440	17.6
111.08081	1.6
113.05997	1.1
115.05431	3.8
117.07013	4.8
119.04951	5.9
119.08572	11.1
121.02869	5.3
121.06501	15.5
123.04434	15.5
123.08023	5.6
125.06002	2.2
127.03880	6.4
127.07425	1.7
128.06216	4.4
129.05482	1.1
129.07002	5.5
131.04912	20.3
131.08589	1.8
132.05624	1.2
133.02779	2.4
133.06487	8.9
133.10103	5.4
135.04408	8.8
135.08057	11.6
137.06021	5.1
137.09593	3.5
139.03891	100.0
139.07504	3.1
141.06979	1.0
143.08540	6.3
145.06482	4.2
147.04457	7.7
147.08049	11.6
149.05978	15.8
151.03905	12.5
151.07515	5.7
153.06987	4.0
153.09084	2.9
155.03352	2.3
157.04965	2.7
159.04387	2.4
161.05974	4.0
161.09579	9.7
163.03926	3.7
163.07544	44.9
165.05481	16.7
165.09106	13.1
167.07031	34.3
167.41167	1.0
169.46562	1.2
171.08060	14.6
173.05937	3.4
173.09793	1.5
175.03918	4.9
175.07547	10.5
177.05437	1.5
179.07014	10.9
179.10617	5.7
181.04985	1.7
181.06522	2.9
181.08632	7.6
183.02907	2.3
189.05458	4.1
189.09093	22.3
191.07019	18.9
193.04982	12.1
193.08556	7.3
199.07480	6.2
207.06566	8.3
207.10139	13.1
209.08076	64.6
210.08522	1.3
211.06030	3.8
211.09654	1.8
217.08595	28.1
221.04486	2.9
225.07628	11.7
225.11102	5.2
227.12741	4.4
229.10632	5.8
235.05975	3.4
235.09636	32.4
239.05531	4.1
243.08577	1.9
253.07089	14.6
253.10684	17.3
271.08115	22.2
271.11731	14.2
289.07233	3.7
289.12579	15.3
289.21210	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	289.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.0
55.01870	6.2
55.05515	2.9
56.96572	1.2
65.03947	3.2
67.05502	5.7
68.99803	2.8
69.03445	2.8
69.07071	2.1
71.01353	1.6
71.04993	3.7
77.35818	1.3
79.05503	14.6
81.03434	2.2
81.07059	8.8
81.20818	1.1
83.04971	11.6
85.02898	6.3
85.06536	1.8
91.05488	26.8
93.07038	12.3
95.04974	8.0
95.08588	2.1
96.76082	1.3
97.02898	1.7
97.06540	2.1
98.97558	2.1
99.04436	2.2
100.11253	8.3
103.05469	36.2
105.03394	2.2
105.04507	1.6
105.07036	15.9
107.04962	9.9
107.08582	1.8
109.02887	2.1
109.06507	4.0
111.04438	15.7
111.08150	1.2
115.05470	3.7
117.07040	4.7
119.04930	7.5
119.08582	9.5
120.05721	2.6
121.02882	3.4
121.06505	13.1
123.04430	16.7
123.08066	4.5
125.05973	3.9
127.03922	7.9
127.07581	1.8
128.06233	4.2
129.05534	2.2
129.07018	4.9
131.04942	19.5
131.08606	1.8
132.05650	1.2
133.02876	2.2
133.06502	11.0
133.10118	3.7
135.04430	10.7
135.08072	8.2
137.05997	5.6
137.09630	3.1
139.03905	100.0
139.07498	1.9
143.08569	5.3
145.06517	3.4
147.04372	9.7
147.08080	13.5
147.29988	1.2
149.05971	12.9
150.25833	1.2
151.03896	13.4
151.07542	4.1
153.05681	1.3
153.07034	5.1
153.09047	1.8
156.07536	1.1
157.04912	2.0
157.06479	2.1
157.07628	2.0
159.04414	1.4
161.05997	4.1
161.09653	10.7
163.03914	7.2
163.07552	37.4
165.05499	13.7
165.09145	15.8
167.07033	26.1
168.07355	1.4
171.08031	13.6
173.06029	5.0
173.09621	1.3
175.03929	5.9
175.07533	11.5
177.05469	2.1
179.07053	9.5
179.10690	4.1
181.05022	1.4
181.06389	1.8
181.08658	7.6
183.02760	2.3
189.09129	20.5
191.07033	18.7
193.05013	9.7
193.08582	5.9
199.07574	6.6
203.20750	1.1
205.04990	2.6
207.06595	6.5
207.10161	13.6
209.08089	54.7
211.06033	2.1
217.08611	24.3
221.04504	2.6
225.05666	1.6
225.07634	9.4
225.11223	4.4
227.12737	3.2
229.10733	4.4
235.09654	28.6
239.05518	3.4
243.08691	1.9
243.11200	1.4
253.07095	16.6
253.10728	16.6
271.08124	20.2
271.11670	15.5
289.06735	4.7
289.12619	28.5
289.21176	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	289.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34525	0.4
69.42497	0.7
69.42905	1.3
98.22662	0.7
109.06496	0.6
119.01613	1.1
120.45687	0.4
139.03854	1.1
150.24429	0.4
151.11122	0.6
192.17665	0.4
207.10254	0.4
217.08611	0.5
230.80190	0.4
235.09630	0.4
243.07780	1.2
280.86676	0.4
289.12567	100.0
290.12979	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.9
55.05494	3.2
57.03433	2.3
64.33336	1.0
65.03928	3.7
67.05505	8.6
68.99751	1.1
69.03429	2.7
69.17877	1.0
69.68691	2.1
69.69082	1.7
71.01370	1.3
71.04994	2.9
79.05494	8.6
81.03399	2.4
81.07051	6.9
83.04974	8.9
85.02905	7.5
85.06528	2.4
91.05473	14.0
93.03403	2.2
93.07058	5.8
95.04963	8.3
95.08630	2.0
97.02874	1.7
97.06515	3.8
98.97561	1.7
103.05458	5.1
105.07031	9.8
107.04941	9.0
107.08560	1.8
109.02855	1.8
109.06524	4.4
111.04436	19.8
117.07010	5.6
118.42104	1.1
119.04919	2.6
119.08569	14.0
119.59267	1.0
121.02839	5.7
121.06503	4.7
123.04416	14.4
123.08099	1.6
125.05997	2.5
127.03895	2.4
127.07570	2.1
128.06223	5.9
129.05542	1.5
129.06989	6.6
131.04939	3.2
131.08611	2.2
133.02849	3.1
133.06493	6.4
133.10141	5.0
135.04405	4.2
135.08051	3.6
137.05992	4.3
137.09604	3.3
139.03896	100.0
140.04195	2.0
143.08556	10.4
145.06468	5.0
147.04402	6.9
147.08040	17.2
149.05975	9.5
151.03891	17.1
151.07553	2.5
153.06992	4.4
157.04947	5.6
157.06497	3.5
160.05290	1.3
161.05975	3.2
161.09602	16.7
163.03998	1.6
163.07558	9.5
165.05466	8.6
165.09111	13.5
167.07039	5.2
169.95035	1.2
171.08041	22.0
173.05923	6.5
173.09590	2.0
175.07512	15.0
179.06947	2.3
179.10646	8.0
181.06476	3.3
189.05428	2.0
189.09099	30.8
191.07033	24.0
193.04918	2.6
193.08569	10.1
199.07507	9.9
203.70161	1.3
207.10178	20.0
209.08185	6.7
209.11703	1.5
214.29042	1.1
217.08597	39.8
225.11180	6.2
227.12776	4.1
229.10733	7.6
235.09642	43.9
236.09933	1.8
253.10696	23.0
271.08310	3.1
271.11755	20.1
289.12616	25.2
290.13156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01866	10.2
55.05510	4.1
57.03442	1.8
65.03932	3.5
67.05505	8.4
68.99760	1.1
69.03423	2.6
71.04990	3.3
79.05492	9.5
81.03409	2.2
81.07059	7.8
83.04976	8.0
85.02894	7.4
85.06550	3.0
91.05473	15.9
93.03398	2.1
93.07051	4.6
95.04951	10.2
95.08584	1.5
97.02892	3.4
97.06522	2.5
98.97616	1.0
100.11258	2.9
103.05456	1.5
105.07025	7.9
106.51901	1.0
107.04945	9.6
107.08600	1.5
109.02895	2.0
109.06514	3.2
111.04433	24.7
111.05165	1.4
113.06054	1.5
115.05411	2.0
117.07016	6.5
119.04961	2.2
119.08582	13.8
121.02831	5.3
121.06502	4.6
123.04435	18.9
123.08041	2.5
125.06013	3.0
127.03894	2.8
127.07549	2.2
128.06229	5.3
129.05516	2.4
129.06990	8.1
131.04916	1.7
131.08556	2.6
133.02873	4.2
133.06499	4.8
133.10133	4.7
135.04424	2.9
135.08041	3.1
137.05989	1.9
137.09633	4.1
139.03897	100.0
140.04245	1.9
141.05461	1.4
143.08553	11.9
145.06468	5.7
145.10127	1.3
147.04398	5.4
147.08044	23.8
149.05977	7.3
151.03896	16.4
151.07521	1.4
153.05679	1.3
153.07002	7.1
157.04945	3.9
157.06458	2.8
161.06001	3.4
161.09607	21.5
163.03883	1.6
163.07576	3.7
163.11198	1.5
165.05421	9.4
165.09090	8.7
171.08060	21.7
171.09448	1.9
173.06004	5.5
173.09615	1.9
175.07536	12.8
179.07050	1.8
179.10672	6.7
181.06421	6.0
189.09108	32.2
190.09508	1.7
191.07028	21.8
192.07317	1.2
193.08604	13.1
199.07561	10.6
207.10164	20.7
209.08224	1.2
211.09636	2.0
217.06422	1.3
217.06828	0.7
217.08589	41.1
225.11263	7.3
227.12828	4.5
229.10759	7.8
235.09647	50.1
236.09952	2.3
253.10704	26.0
254.11078	1.5
271.11725	23.7
272.12286	1.3
289.12796	13.2
289.21323	2.5
296.51999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
57.07077	100.0
59.86412	2.2
64.97823	3.3
72.04523	20.3
73.23875	2.1
75.42522	2.2
85.22537	2.5
98.97605	2.8
100.07616	48.5
104.90330	2.1
108.56886	2.4
116.98689	2.5
123.04456	6.6
152.75439	2.3
156.13835	78.9
163.07574	3.3
172.11528	2.7
219.75264	2.3
289.21658	6.4
289.29196	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	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04086	3.8
56.96560	5.5
60.05648	19.5
70.06235	6.2
70.06595	80.6
70.65327	3.8
71.01390	3.3
71.04992	14.3
72.08157	8.1
84.08135	13.3
95.06094	10.2
98.22787	4.1
108.40062	3.7
112.08761	18.8
114.10270	4.0
115.08691	11.3
116.03446	8.5
116.07131	21.9
116.07806	3.6
118.08645	15.2
130.09734	8.4
134.04486	5.2
158.09259	6.2
166.04485	4.7
168.06619	4.2
175.11905	68.6
183.54974	3.7
195.07652	3.6
196.06070	8.4
204.33858	4.0
214.06993	5.0
232.08125	11.2
238.08437	4.8
256.09344	6.8
291.08365	60.7
291.12979	100.0
291.16022	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01376	5.7
69.74306	18.3
71.06495	4.6
82.34435	5.0
90.42136	6.1
91.55150	5.1
97.74957	4.5
98.23164	17.0
98.97580	16.6
116.98596	7.2
231.07597	7.1
290.94565	6.5
291.08386	100.0
292.08640	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.91085	0.4
55.01874	1.6
65.03922	0.9
67.05505	1.5
68.99799	2.0
69.07069	0.5
69.57164	1.8
77.03933	0.7
81.03415	0.5
83.04985	1.1
85.02917	1.0
91.05484	1.7
93.03388	1.1
95.04961	2.7
96.51076	0.4
97.02892	0.8
98.22703	0.8
98.97592	1.0
105.03413	0.7
105.07069	0.7
105.66945	0.4
107.04955	0.7
107.08656	0.4
108.85899	0.5
111.04422	2.5
115.05450	1.1
119.04938	7.4
119.47559	0.6
123.04425	65.5
124.04762	1.0
127.03914	1.5
131.04916	0.4
133.06505	1.7
135.04311	0.6
137.02356	0.9
137.05939	1.0
139.03889	100.0
139.13240	0.4
140.04263	2.4
143.04936	2.6
147.04402	23.7
147.05598	1.1
151.02843	0.5
151.03819	2.5
153.05417	0.9
159.04428	0.5
161.05971	8.1
163.03902	2.3
165.05469	12.5
169.04927	1.4
177.05437	1.0
179.03348	1.3
179.07028	4.7
181.04944	0.9
188.20428	0.5
189.05467	2.4
207.06528	7.6
249.07521	1.1
259.03409	0.5
273.07556	0.9
273.15027	0.6
285.83746	0.4
291.08627	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.55893	0.5
55.01863	1.6
55.05499	0.7
60.48965	0.4
65.03938	1.3
67.05496	1.7
68.99778	1.2
69.03426	0.9
70.06590	1.0
75.14513	0.4
83.04970	2.2
85.02856	0.5
87.37147	0.4
89.17168	0.5
91.05482	1.7
92.86544	0.5
92.87117	0.6
93.03375	1.0
95.04959	2.9
97.02909	0.7
98.97578	1.6
98.98494	1.2
105.07020	0.7
107.04951	0.7
111.04448	2.1
115.05434	1.0
116.98628	1.0
117.06971	0.5
119.04949	4.9
123.04424	59.8
124.04745	1.4
127.03894	0.8
133.06511	0.8
134.99619	0.6
135.04425	0.8
137.02348	1.1
137.05972	0.5
139.03893	100.0
140.04225	2.2
143.04910	2.0
147.04402	19.5
149.05977	0.6
151.03891	2.0
151.07515	0.8
153.05490	0.7
153.12758	1.8
161.05983	8.7
162.09819	0.5
163.03911	1.8
165.05469	14.9
169.04924	1.5
177.05467	0.7
179.06979	2.7
181.05003	1.1
189.05444	2.2
207.06538	6.6
213.10258	0.7
249.07748	0.8
259.62384	0.5
273.07471	1.1
273.12259	1.2
290.94748	1.2
291.08606	7.0
291.13135	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	291.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52893	0.4
50.86438	0.4
51.02375	0.6
51.21009	0.4
55.01871	2.7
55.05512	0.9
65.03937	1.1
67.05496	1.9
68.99784	1.8
69.03424	0.9
70.57042	0.6
71.01356	0.7
77.03928	0.6
81.03464	0.5
81.07060	0.4
83.04971	2.2
85.02896	0.7
91.05482	1.7
93.03409	1.4
95.04961	3.2
97.02916	0.5
98.97598	0.5
98.98471	0.7
99.04466	0.5
105.03397	0.8
105.07046	0.9
111.04445	3.0
115.05453	1.4
116.98628	0.5
117.07012	0.4
119.04948	6.2
121.06506	0.5
123.04429	68.8
124.04768	1.3
127.03960	1.3
129.06982	0.5
133.06485	1.2
137.02316	1.3
137.05975	1.0
139.03897	100.0
140.04263	2.1
141.04382	0.8
143.04945	2.7
145.06453	0.5
147.04407	22.3
147.08014	1.0
149.05971	0.5
151.03902	2.1
151.07481	0.7
153.05414	0.8
154.86415	0.5
155.08499	0.5
159.04434	0.5
159.08073	1.3
161.05975	9.3
161.09656	0.7
162.06564	0.5
163.03908	2.1
163.07483	0.7
165.04066	0.7
165.05472	14.4
169.04950	1.5
171.08057	0.5
173.09586	1.2
174.06990	0.4
175.07550	1.6
175.11237	0.5
177.05511	0.7
179.07048	4.1
181.04985	0.8
185.05899	0.5
187.07484	1.5
189.05505	2.3
190.06281	0.6
199.11108	1.0
201.09068	3.0
203.07086	1.3
203.10669	1.4
207.06520	6.7
213.09048	0.6
217.12143	0.4
227.06970	0.6
227.10655	1.6
229.08578	1.8
231.10098	0.8
245.11659	2.0
246.54173	0.4
249.07524	0.8
255.10129	1.2
273.07700	1.2
273.11151	5.4
291.08481	6.1
291.12250	2.0
292.08810	0.5
292.89331	0.4
303.37115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0975
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
56.34302	0.8
69.68060	0.8
70.34239	2.5
87.00826	1.6
88.04004	1.8
96.22713	0.7
98.23419	1.0
98.98512	0.9
99.45985	0.7
107.04965	1.1
114.92819	0.8
115.05464	3.8
117.05773	1.7
118.06534	11.4
118.73065	1.0
128.04933	0.9
130.06525	100.0
131.06871	2.5
132.08089	37.6
135.29385	0.7
142.06509	11.9
143.07277	1.7
144.08070	6.8
145.08331	1.0
146.06004	20.5
149.06041	0.8
153.01985	0.8
154.06473	0.9
156.02904	1.2
156.08073	4.4
157.07616	7.6
158.05960	2.2
158.08377	5.1
158.09531	0.9
159.09175	97.8
160.07587	8.2
160.09486	2.2
167.06059	1.6
169.07648	2.9
170.06009	34.8
171.06570	1.1
174.04016	1.4
181.07640	2.5
182.05995	2.4
183.09204	5.0
184.07588	15.1
185.07091	44.3
186.07475	1.0
187.08720	4.1
188.07063	38.9
189.05621	0.9
189.07368	1.9
189.98270	0.9
199.08681	1.6
200.07053	9.1
201.10225	12.2
205.09761	1.1
209.07202	1.7
210.07274	1.0
227.08136	44.4
228.08466	2.6
229.09744	2.7
231.07642	1.7
245.09218	81.1
246.09581	3.7
255.07703	4.4
273.08743	10.5
291.09662	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	291.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16244	0.5
55.05516	8.2
61.01138	0.6
69.03439	0.7
69.07076	3.2
70.06618	0.9
73.06548	0.7
79.80865	0.5
81.07045	0.7
83.04983	80.1
84.05316	1.3
84.08134	3.0
88.68748	0.5
91.05544	0.6
93.55333	0.5
95.04995	0.8
95.08637	0.6
98.97578	1.3
98.98491	1.2
107.08587	0.7
111.04449	1.0
111.08085	0.7
115.07560	2.7
116.98645	1.2
117.69175	0.6
123.04443	2.2
123.08131	0.5
125.09722	0.6
132.08449	4.1
139.03880	4.5
145.10214	0.6
147.04498	1.0
147.11656	0.9
150.76646	0.5
153.12746	100.0
154.13089	2.3
156.51331	0.5
161.06088	0.5
165.05464	0.8
175.07471	0.6
189.05832	2.1
200.79257	0.5
207.06921	0.6
213.10156	0.7
214.11047	0.8
232.44289	0.5
235.06226	2.6
273.12201	1.6
290.94901	0.8
291.12778	4.2
291.15878	0.7
291.16846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1299
Annotation	N-(L-Arginino)succinate
Peak:m/z	Relative Intensity
56.96556	2.6
57.72136	0.6
60.05354	1.0
60.05648	13.9
68.05039	0.7
69.32772	0.7
70.06592	66.1
71.01357	1.0
71.04990	10.7
71.06931	1.1
72.08145	5.1
74.02461	3.2
84.08130	1.2
84.96066	1.5
85.01413	1.3
86.60621	0.5
88.03967	1.4
88.07629	2.6
89.02393	2.2
92.77866	0.6
95.06094	6.8
96.04522	0.8
97.07645	2.4
98.02400	2.4
98.06042	1.8
98.97589	1.0
98.98473	0.7
99.04428	1.2
102.55731	0.6
103.02446	6.5
109.00636	0.6
109.02855	1.0
110.02419	1.5
112.08727	14.8
113.07130	2.2
114.05478	0.7
114.10237	0.8
115.08693	9.1
116.03413	4.0
116.07092	18.5
118.08655	19.3
119.01907	0.7
121.03471	2.0
123.04510	0.8
124.99160	1.0
127.03899	1.2
128.03430	1.0
128.04262	1.0
128.07060	0.7
129.04243	0.9
130.09760	5.8
131.01886	4.2
134.04472	4.1
135.04794	0.6
139.03856	0.9
140.07069	1.8
140.08165	1.7
143.00143	2.2
144.10260	0.7
147.01376	1.9
147.04974	1.6
147.52019	0.6
149.02979	1.0
150.05482	2.1
152.07048	0.8
157.03452	3.1
157.10818	1.2
158.08064	1.2
158.09244	8.8
161.01213	2.4
162.11272	1.5
168.06546	3.7
168.07741	0.7
170.08104	0.7
173.02950	3.3
175.00789	1.1
175.11903	55.3
176.12233	0.9
185.09167	1.3
186.07631	3.3
186.91678	1.9
186.93295	0.6
188.09254	0.9
195.07700	2.2
196.06058	2.6
201.02414	2.0
205.00174	1.0
207.16281	0.6
210.08746	2.3
211.12834	0.6
213.08719	2.9
214.07062	3.3
217.12964	0.8
219.03615	1.1
223.01241	1.4
228.09766	1.4
229.01976	3.3
231.09843	2.7
232.08160	9.3
238.08167	3.7
245.12489	1.7
248.99171	0.9
256.09305	4.0
267.00098	1.0
273.00928	1.9
273.11920	1.1
274.10416	2.3
291.01984	2.1
291.06949	3.4
291.12976	100.0
292.13220	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01849	2.1
55.05510	10.6
56.42749	1.1
56.96563	2.3
57.07069	3.5
59.04984	3.5
67.05489	5.7
69.03418	1.5
69.07044	2.9
71.04974	5.5
71.51841	1.1
79.05487	10.4
81.07069	8.5
81.90394	1.1
83.04960	3.4
83.08633	10.4
85.02882	1.6
85.06528	2.7
91.05492	6.3
93.07031	13.4
95.04977	7.4
95.08602	17.0
97.06529	7.5
101.19981	1.1
104.60046	1.4
105.07008	9.2
107.04955	18.8
107.08578	11.3
109.06534	9.3
109.10176	2.0
111.08076	41.3
113.09647	2.1
116.55529	1.2
117.07020	2.7
119.08593	11.2
121.06526	3.4
121.10114	7.7
122.07253	1.8
123.08060	36.7
123.11643	1.7
125.09601	3.2
126.23583	1.2
129.07056	1.5
131.08574	6.1
133.06474	2.8
133.10117	9.7
135.08034	6.9
135.11690	3.8
137.05922	1.3
137.09604	2.8
143.08575	2.9
145.10117	3.9
147.08008	2.5
147.11708	7.7
149.09608	8.9
151.07532	100.0
151.46515	1.2
155.10652	2.7
156.09286	1.5
157.10121	6.6
159.08017	2.3
161.09630	4.1
161.13240	1.3
163.11163	3.5
171.11655	3.8
173.13278	6.6
175.11153	6.7
177.09117	2.7
179.10674	5.6
181.12169	1.6
182.95290	1.2
187.14723	1.2
189.12755	24.4
191.14308	17.9
192.11491	3.3
192.14612	1.3
192.28729	1.3
197.11708	13.8
197.13274	3.0
205.12224	1.9
207.13797	58.9
208.14212	1.7
213.07983	2.6
213.16457	2.2
215.14325	3.6
217.12238	3.9
231.09013	2.0
231.17465	2.0
233.15347	52.5
234.15778	1.9
235.13374	1.6
249.18530	2.1
255.17395	3.8
269.10565	7.7
273.18484	8.1
287.11649	6.1
291.19525	67.0
292.19962	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03950	0.8
55.01872	9.3
55.05511	12.1
56.96566	4.3
57.03178	1.4
57.03434	13.4
65.03928	1.9
67.05501	21.7
68.31278	0.8
69.03425	2.2
69.07067	5.7
70.40603	1.0
70.40955	0.8
71.05010	1.5
79.05045	1.5
79.05489	21.6
80.98057	0.7
81.03397	1.5
81.07052	16.4
83.04974	2.2
83.08622	4.3
85.06536	4.5
91.05478	22.7
93.07042	17.4
94.04185	0.7
95.04965	15.0
95.08600	8.9
97.06523	3.0
97.10156	1.5
103.05493	1.1
105.07019	16.8
107.04951	5.4
107.08589	13.8
109.06510	100.0
109.10156	3.0
110.06828	1.6
111.08096	2.8
113.05987	1.5
115.05466	2.0
116.06226	1.7
117.07030	9.2
119.04917	1.3
119.08570	7.7
121.06484	4.3
121.10123	4.4
123.08057	7.9
125.09609	0.8
128.06229	1.6
129.06998	7.8
131.08560	14.8
133.06500	2.7
133.10118	6.8
135.08051	33.5
135.11659	3.5
136.08377	1.1
137.09615	1.8
141.06989	1.9
141.09221	0.6
142.07736	0.9
143.08540	5.7
145.10115	10.1
147.08054	6.6
147.11690	1.9
149.09579	7.7
149.13255	1.6
151.07535	6.7
155.08528	0.9
155.88399	0.8
157.10107	7.5
159.08105	1.6
159.11679	4.2
161.09613	9.0
161.13269	1.0
163.11133	4.0
165.09180	1.6
167.08527	0.8
169.10095	1.2
171.11633	3.5
173.13226	1.9
175.11186	2.9
177.12704	1.5
181.10123	1.2
183.11740	2.4
185.13272	1.9
189.12729	3.3
189.16429	1.2
195.11665	1.2
195.13765	1.0
197.11658	1.2
199.11124	1.9
199.14771	3.9
201.12790	1.2
207.13841	4.0
209.13278	1.2
213.07939	3.9
217.15872	16.8
219.13805	1.9
227.17860	1.2
229.23405	0.9
231.09059	2.8
235.16862	1.0
237.16405	2.7
245.19037	2.1
251.09595	2.1
255.17415	5.9
269.10593	16.6
273.18478	29.6
274.18750	1.9
287.11694	8.2
291.19510	57.5
291.26648	1.4
292.12204	1.5
292.19785	3.6
294.31064	0.8
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
53.03936	4.5
55.01872	17.4
55.05510	51.4
57.03424	5.1
57.07055	1.6
59.04994	1.7
65.03944	2.3
67.05164	2.1
67.05504	34.6
69.03413	6.1
69.07063	10.4
70.61562	2.1
71.04984	5.3
77.03915	2.3
79.05492	56.0
81.03403	4.1
81.07056	63.4
82.69970	1.3
83.04983	9.9
83.08619	19.8
85.06527	2.5
91.05479	67.2
93.07040	22.9
95.04965	15.7
95.08600	14.9
97.06546	3.1
97.10171	27.3
103.05437	2.0
105.03400	6.4
105.04498	2.0
105.07034	24.2
107.04956	16.7
107.08591	26.4
109.06517	5.2
109.10150	10.8
111.08090	3.6
115.05473	2.2
116.06273	1.3
117.07022	28.5
119.04932	2.0
119.08578	75.8
121.06510	14.3
121.10155	7.9
123.08073	5.3
125.09628	24.3
128.06230	3.0
129.07008	13.6
131.08575	26.4
132.05699	2.2
133.06491	4.5
133.10117	7.8
135.08055	25.2
135.11700	3.0
137.09624	2.9
143.08553	14.4
145.06490	2.8
145.10117	26.7
147.08046	48.0
147.09163	3.0
147.11720	4.3
149.09619	6.0
151.07529	2.9
151.11122	2.0
151.80424	1.5
153.09117	3.0
155.08507	1.7
157.10149	9.9
159.08104	3.3
159.11647	9.5
161.09615	9.9
163.11163	3.4
167.08521	1.4
169.10077	2.5
171.10345	1.6
171.11707	5.0
173.09569	1.6
173.11797	1.8
173.13208	1.8
175.11211	3.8
185.09619	1.9
185.13229	4.5
189.11255	14.7
189.12781	2.2
193.12210	1.9
195.11679	4.0
199.11220	1.7
213.12871	1.5
223.13298	2.6
227.17950	3.8
237.16405	3.4
245.18961	4.8
249.14853	8.9
255.17371	7.6
264.69687	1.7
273.18484	100.0
274.18826	4.6
291.19534	66.6
292.19861	2.4
309.08240	1.4
313.47839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	6.3
55.01867	9.1
55.05508	18.8
57.03432	3.3
57.07070	2.6
65.03936	1.9
67.05506	55.8
69.03449	3.6
69.07063	16.1
69.85885	4.7
71.04986	5.3
74.41421	1.4
79.05492	35.4
81.03421	21.1
81.07056	46.6
83.04960	6.6
83.08624	10.7
85.06554	3.6
88.07653	2.6
90.42229	1.4
91.05479	35.4
93.06447	2.4
93.07042	43.9
95.04973	25.3
95.08602	100.0
96.08929	2.3
97.06544	6.6
98.98459	2.4
103.05479	2.3
105.04501	3.7
105.07037	26.7
107.04955	19.7
107.08597	17.6
109.06503	9.7
109.10151	9.3
111.04449	2.5
111.08067	4.4
111.15865	1.3
115.05431	2.1
117.07020	10.5
119.04945	2.4
119.08579	22.4
121.06499	13.9
121.10168	8.4
123.04441	2.1
123.08068	40.6
125.09656	1.9
128.06255	1.6
129.06999	6.3
131.08566	16.0
133.06522	7.8
133.10146	17.0
135.08047	17.3
135.11711	2.6
137.05997	1.6
137.09636	11.8
139.07626	1.7
139.11082	1.7
143.08578	7.0
145.06480	1.4
145.10110	9.5
147.07968	7.3
147.11693	5.5
149.09608	14.0
151.07582	2.3
151.11229	4.4
153.09087	3.3
157.10127	5.0
159.08008	3.8
159.11687	4.0
161.09605	21.3
161.13304	2.5
162.94708	1.6
163.11206	3.7
165.09123	4.2
169.10141	1.7
171.11726	6.2
173.09648	3.1
173.13307	1.6
175.11171	9.4
177.09074	2.5
177.12712	3.2
179.10669	3.1
185.09610	2.2
185.13243	3.4
187.11252	2.3
189.12840	3.3
193.32297	1.6
213.12744	1.7
227.17975	4.0
237.16434	1.6
239.11232	1.6
240.66939	1.7
245.19043	4.2
255.17432	7.8
273.18484	32.9
274.18915	1.8
291.16232	2.8
291.19550	57.8
291.27185	5.7
292.19659	2.7
307.61908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.98764	1.1
53.03940	2.6
55.01641	1.0
55.01872	8.4
55.05263	1.0
55.05511	16.0
57.03421	3.3
65.03921	1.5
67.05501	22.7
69.03426	11.4
69.07073	6.9
71.04978	3.5
73.17529	0.9
79.05492	21.7
81.03414	7.2
81.07055	22.0
83.04974	17.2
83.08618	2.1
85.06555	4.9
89.20889	1.0
90.30511	0.8
91.05479	28.6
93.07044	30.4
95.04961	13.7
95.08615	9.3
97.06532	2.1
97.10169	1.6
98.23418	3.1
98.97580	1.3
99.08131	1.1
103.05447	3.6
105.04488	2.9
105.07021	20.3
107.04952	100.0
107.08596	14.3
108.05289	1.8
109.06514	4.5
109.10151	11.1
111.04517	0.9
111.08066	1.3
111.68519	0.9
115.05433	3.1
117.07030	6.3
119.08569	12.2
121.06503	33.0
121.10125	5.6
123.08045	3.2
123.11681	2.1
128.06209	1.8
129.07018	5.6
131.08563	12.3
133.06464	4.2
133.10123	14.6
135.08046	53.4
135.11679	3.1
136.08316	1.7
137.09590	2.7
143.08568	4.2
145.10135	8.2
147.08054	6.5
147.11696	5.4
149.09602	9.9
149.13289	0.9
151.11179	6.4
157.10139	3.4
159.08067	1.1
159.11682	3.4
161.09599	5.0
161.13290	5.4
163.07526	5.5
163.11195	2.3
167.88663	0.9
169.10071	1.2
169.12189	1.5
171.11664	4.2
171.13055	0.9
173.09680	1.2
173.13234	1.5
175.11195	4.6
175.14819	1.3
175.24945	1.0
179.10640	2.0
185.13229	2.0
189.12738	2.4
191.14273	1.1
193.12355	1.2
200.75772	1.0
213.12704	1.7
227.17937	2.8
231.13730	1.2
237.16362	1.1
245.18964	4.8
249.14873	4.0
255.17363	1.8
273.18463	21.6
274.18930	1.0
291.19534	71.3
291.27261	2.9
292.19928	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	291.2321
Annotation	Ardisinol II
Peak:m/z	Relative Intensity
53.03942	0.2
55.05262	0.4
55.05515	7.0
57.07079	2.3
67.05507	1.6
68.99796	0.2
69.07066	5.2
69.72424	0.2
69.75358	0.4
69.75749	0.4
71.08629	0.9
77.03928	0.2
78.47116	0.2
81.07057	0.2
83.08621	2.0
85.10194	0.4
86.97099	0.2
92.34582	0.2
95.04981	1.9
97.10171	1.0
107.08541	0.2
111.04436	0.9
118.71693	0.2
123.04430	100.0
124.04753	2.1
125.05944	0.3
137.05984	3.0
151.07533	0.8
164.07111	0.3
165.09152	0.2
171.44272	0.2
179.10783	0.2
207.13872	0.2
209.00067	0.2
291.23178	15.8
292.23560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38591	0.3
55.01847	0.5
55.05470	1.0
56.96567	25.4
57.03399	0.5
59.20310	0.3
67.05462	1.3
68.05804	0.4
69.07027	1.0
69.32578	0.6
69.32991	0.9
71.95258	1.7
72.96016	0.6
74.97598	0.5
75.26082	0.3
79.05511	1.6
80.05804	0.4
81.07021	1.3
83.08604	0.4
91.05431	1.3
92.05790	0.4
93.07018	0.8
95.04951	0.8
95.08559	0.7
96.05291	0.3
97.06499	0.5
97.10120	0.4
97.96802	0.7
105.00145	0.3
105.06998	1.2
107.08601	2.3
108.23882	0.3
108.75639	0.3
109.06538	3.0
110.06815	1.3
110.97560	1.0
115.00663	0.7
117.07029	0.3
119.01685	0.8
119.08516	0.6
121.10159	0.4
123.07989	0.3
127.00649	0.5
128.98601	0.5
131.08524	0.3
132.08876	0.3
133.01680	0.7
133.10156	0.7
135.08009	1.2
136.08376	0.6
137.02725	1.5
139.00679	0.4
141.02222	1.0
145.01591	0.5
145.10052	0.5
146.99625	0.3
147.11679	0.3
149.09619	0.6
151.04286	0.6
155.03772	1.1
158.10425	0.4
159.03267	1.0
165.05878	0.6
169.05403	0.7
171.03273	0.5
173.04855	0.8
179.07431	0.5
181.05388	0.5
185.04816	0.8
187.06389	0.7
191.07477	0.4
195.06898	2.6
199.06387	2.3
203.05923	0.7
207.06906	0.8
209.05099	0.4
211.06499	0.3
213.07990	21.0
214.08305	0.6
215.09593	0.3
217.07492	2.4
218.16158	0.5
221.04982	0.3
221.08427	1.1
223.10040	0.7
225.08002	5.4
225.11575	0.4
231.09038	23.0
232.09428	0.5
235.08855	0.3
236.09541	1.3
239.09546	3.9
241.11096	0.6
243.09064	2.9
243.12691	0.4
251.09502	11.9
254.10645	0.6
257.10602	2.4
269.10605	100.0
270.10953	3.4
274.18826	1.2
275.20078	2.5
287.11661	54.3
288.12076	2.1
292.12204	13.1
292.19797	2.4
292.22864	0.5
292.26382	0.4
293.20981	0.5
309.13516	0.4
310.13290	3.0
312.11008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67568	0.9
55.01865	3.8
55.05502	3.8
56.05020	1.6
57.03431	1.9
61.02930	19.1
67.05499	3.1
69.03439	2.0
70.69988	1.6
71.04953	1.4
72.04506	1.4
73.02901	1.8
73.52341	1.0
74.06078	1.9
79.05508	4.7
81.03408	2.1
81.07059	9.5
83.01316	1.8
83.04980	1.4
83.08613	1.1
84.76308	0.9
85.02903	2.2
86.93172	0.9
91.03950	14.1
91.04958	0.9
91.05463	5.4
93.07048	7.5
95.04965	4.0
95.08609	2.2
95.55308	0.9
97.06521	1.2
97.44896	1.0
98.09691	0.9
101.02386	1.2
103.05471	1.4
105.07016	1.3
105.94736	1.2
107.04989	1.6
107.08554	1.2
109.02867	1.3
109.06531	6.5
109.10181	1.1
111.04431	2.1
111.08083	59.3
113.02370	1.2
116.94055	0.9
119.03391	2.6
119.08580	2.2
121.06489	2.0
123.04423	2.8
123.08107	7.5
129.05429	1.2
131.04897	1.7
131.08562	1.7
133.06473	1.2
137.05984	10.0
139.07545	4.0
147.08052	1.7
149.05943	1.2
151.07521	4.7
153.01866	1.0
155.07037	3.4
159.04413	1.0
163.03870	1.1
165.09117	5.6
167.07034	3.1
167.42584	1.0
169.08546	2.8
175.07570	1.1
176.04681	2.3
177.09134	1.5
179.07146	1.4
191.03311	1.3
192.04189	1.9
193.05070	1.2
193.08667	2.4
194.15335	2.4
195.02930	1.4
195.10175	4.6
211.09650	43.1
212.16512	8.3
213.07674	1.1
213.11111	1.2
215.03352	1.5
219.06503	2.2
221.04475	1.8
221.08061	1.4
229.10713	18.4
230.17513	36.3
232.03627	1.4
233.04469	1.8
239.09123	14.9
243.02834	1.4
247.05978	3.4
257.10196	100.0
258.10437	2.7
263.05557	3.7
274.12766	4.5
274.20068	4.2
275.05405	3.5
292.19080	3.2
293.03217	1.8
293.06528	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	292.1543
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
55.01872	0.6
57.17197	0.3
58.07644	0.3
71.01360	0.5
71.42709	0.3
73.02905	0.9
89.45262	0.4
91.05467	0.5
92.04977	0.8
96.56072	0.4
99.00811	0.5
104.99597	0.3
106.06570	0.5
117.05828	0.4
118.05763	0.6
118.06541	6.2
120.54590	0.4
130.06554	0.7
131.07365	0.3
132.08096	2.7
133.08791	0.4
134.09688	0.4
143.38257	0.3
144.08113	1.8
146.09677	1.5
158.09592	0.6
160.11276	0.9
162.09180	1.3
172.11078	0.6
176.14340	9.9
188.07037	2.0
190.08630	6.8
191.09227	0.4
202.08623	1.0
202.15910	9.6
202.17798	0.6
203.16199	0.5
204.10139	2.5
205.10915	0.5
209.07150	0.4
216.10258	0.4
218.11769	2.3
230.15388	2.1
233.14058	0.4
234.07587	4.1
246.14873	10.4
247.15305	0.4
248.09171	2.6
248.16449	5.2
249.10085	0.7
262.10748	1.9
274.14209	2.0
292.15451	100.0
292.18979	12.4
293.15784	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	292.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	1.3
59.07376	1.8
60.05650	6.2
70.06588	9.8
71.43040	0.5
72.08149	0.8
84.16655	0.3
86.79739	0.4
93.44242	0.4
93.44958	0.4
96.70515	0.3
98.05540	0.4
102.88109	0.4
112.08747	0.7
116.07080	5.1
118.08653	100.0
119.09032	0.9
127.41154	0.4
130.09764	2.0
150.22682	0.4
153.57495	0.3
158.09261	2.0
158.89224	0.4
167.02455	0.4
175.11905	30.9
176.12372	0.6
292.19821	1.8
293.06204	0.7
298.04843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96323	0.8
56.96571	10.0
62.65990	0.5
65.81720	0.5
70.45943	0.5
71.95244	0.5
72.47048	0.5
72.95934	0.6
82.38143	0.6
84.96040	0.7
87.75396	0.6
98.97586	95.8
102.32376	0.6
116.98624	47.4
117.98952	0.7
125.45930	0.6
130.93289	1.0
131.00102	0.5
134.99654	14.8
140.00154	0.5
142.07947	0.5
143.00195	0.7
153.00713	1.4
157.01706	0.6
158.99855	0.7
161.84386	0.5
172.94363	3.0
176.93834	0.6
177.00995	2.3
190.95430	3.0
191.02242	0.7
203.02524	1.8
208.96375	1.5
214.95447	2.1
215.10226	0.5
219.02040	0.6
220.96304	0.7
232.96463	5.7
233.03435	0.6
240.30333	0.5
247.01505	7.5
248.01463	0.7
250.97519	2.9
251.04376	2.9
256.96426	14.8
269.05447	2.2
270.93927	0.6
274.97510	100.0
275.97842	1.7
288.92126	0.7
292.95218	1.9
292.98553	53.2
293.05429	2.2
293.98993	0.9
297.99066	2.2
310.95923	1.4
310.99387	0.7
311.06479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.047
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48020	0.4
63.92540	0.4
69.70023	0.8
69.70379	1.0
98.22639	0.5
98.98479	1.0
101.00896	1.0
104.95213	0.5
118.99749	0.4
119.01905	1.9
153.00946	0.5
158.99887	2.5
177.00954	24.0
178.01076	2.0
185.01379	0.8
190.94867	0.6
195.02046	0.5
196.22066	0.5
201.00928	0.8
203.02516	18.6
204.02592	1.4
205.00468	0.6
210.99304	1.3
211.21024	0.5
219.01984	8.6
220.02153	0.7
229.00414	7.5
230.00648	0.6
234.50189	0.5
242.22679	0.5
247.01494	100.0
248.01628	9.0
249.01939	0.5
250.97198	0.5
252.02022	1.0
261.03061	1.2
270.03040	6.2
271.03290	0.7
274.96893	1.5
275.04700	0.8
281.96262	0.4
292.97702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05637	1.3
70.06579	2.2
71.43523	0.4
100.34101	0.5
112.89613	0.6
116.07053	1.0
118.08648	15.2
119.08974	1.6
130.09766	0.4
148.45293	0.4
154.20944	0.5
165.61429	0.5
174.35150	0.4
175.11906	4.0
176.12231	0.9
293.06302	100.0
294.06577	3.4
298.82843	0.4
309.99023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27788	3.8
56.96564	9.4
66.35682	3.8
70.06590	8.4
70.21941	3.7
74.33206	3.6
84.95985	7.6
98.97575	10.6
116.07125	6.1
116.98644	4.7
118.08646	58.6
119.08968	10.3
120.42889	3.8
124.13461	3.6
128.20341	3.7
157.01755	4.2
161.39597	4.5
173.01140	4.3
175.11874	16.4
191.02354	5.5
197.55882	4.0
233.03363	5.2
251.04355	21.3
269.05408	14.5
292.26266	3.7
293.06158	100.0
311.06332	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.6
70.21815	6.1
87.57456	2.8
98.97551	3.5
103.20380	2.9
118.08652	10.5
161.02971	3.8
184.36488	3.2
251.04439	10.0
269.05539	7.8
293.06305	100.0
294.06625	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	293.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86240	0.7
51.02372	1.0
55.01867	5.5
57.03421	2.6
61.77661	0.7
63.02377	0.7
65.03955	0.9
66.06538	0.8
68.99778	1.9
69.03436	6.5
71.01341	2.9
75.54125	0.7
77.03923	1.5
79.05469	1.8
81.03390	2.9
83.01322	0.9
85.02899	40.8
91.05478	4.7
93.03393	1.2
95.01331	1.2
95.04964	2.2
98.22697	1.4
101.02364	3.7
102.04693	1.5
103.05450	9.6
105.03382	3.1
105.07005	2.3
107.04948	2.8
109.02869	4.3
115.05450	7.0
118.04166	1.9
119.04928	9.7
120.02075	1.3
120.05722	2.2
121.02875	1.1
123.04420	1.4
125.05845	0.8
128.06166	0.8
130.04120	3.3
131.04919	53.4
132.05258	1.6
133.02832	11.9
133.06485	3.3
134.03642	1.4
135.04381	1.6
137.02338	1.4
137.05952	2.1
138.03101	1.5
143.04919	3.0
145.02806	1.4
145.06490	2.2
146.03639	1.5
147.04395	13.9
148.05203	3.9
149.02321	2.6
149.05988	2.1
150.03130	14.3
151.03883	10.8
152.01028	3.0
153.05478	7.6
155.04866	1.0
157.02859	1.1
158.03645	3.4
159.04407	85.1
160.05040	2.7
161.02315	9.6
161.05988	5.7
162.03096	9.3
163.03889	8.4
163.07460	1.5
164.04633	1.7
165.01862	1.2
165.05475	8.9
166.02614	1.8
167.03392	2.4
170.03654	0.8
171.04396	7.8
173.02359	2.2
173.05989	1.7
173.08101	1.1
174.03067	1.9
175.03925	8.9
176.04681	38.3
177.01843	11.8
177.05426	15.2
178.02589	11.8
179.03371	16.1
179.07033	2.1
180.00494	5.0
181.04933	6.7
183.04480	0.9
185.02365	1.1
186.03137	5.8
187.03897	64.2
188.04517	4.0
189.05486	4.5
190.02573	3.3
191.02032	0.6
191.03381	20.9
191.06999	13.4
192.04164	3.8
193.01315	3.0
193.04953	41.3
194.02199	4.2
195.02867	23.4
197.04456	3.9
199.03873	6.5
201.05414	4.5
202.02632	6.7
203.03377	16.9
203.06992	2.7
204.04163	29.7
205.01141	1.0
205.04945	24.2
206.02110	5.9
207.02980	4.7
207.06520	3.4
208.03568	1.5
209.04431	15.3
211.02354	3.4
214.02542	4.0
215.03375	44.5
216.04153	16.9
217.04939	13.5
218.02025	2.3
219.03152	7.2
219.06503	47.9
220.03630	3.0
220.06953	1.4
221.04434	54.0
222.04904	1.7
223.02382	8.6
223.05939	6.5
225.03891	2.4
227.03294	1.1
229.04933	11.3
230.02078	2.6
231.02890	6.4
231.06499	6.8
232.03639	13.2
233.04449	17.4
234.05200	0.9
235.05986	12.1
236.06483	0.9
237.03934	2.5
242.01962	1.5
243.02858	8.6
244.03598	1.2
245.04485	7.7
246.05421	1.1
247.06009	100.0
248.06299	4.1
249.03899	4.0
249.07507	1.1
251.05458	2.1
257.04410	11.6
260.03076	6.1
261.03821	1.4
263.05502	37.2
264.05841	1.2
265.07068	2.3
267.05060	1.3
275.05481	82.5
276.05847	3.3
293.06537	85.7
294.06744	3.8
311.07614	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	293.0654
Annotation	Yerrinquinone
Peak:m/z	Relative Intensity
51.02379	0.8
55.01869	6.4
57.03442	4.4
65.03923	1.2
66.99892	0.7
68.99769	2.0
69.03387	3.1
71.01322	1.9
77.03925	1.7
79.05463	1.2
81.03393	2.5
82.79665	0.7
85.02899	33.5
89.03927	0.7
91.05487	5.2
95.01350	0.9
95.04927	1.5
101.02351	3.3
102.04656	1.8
103.05460	7.9
105.03350	1.8
105.06982	2.0
107.04932	1.7
109.02843	3.3
115.05449	6.1
117.06983	1.5
119.04941	8.7
120.05719	1.7
121.02877	1.3
122.03651	0.7
130.04144	2.2
131.04932	44.4
132.05278	0.7
133.02853	10.5
133.06450	1.9
134.03606	1.3
135.04385	1.8
137.02336	1.6
137.05975	1.4
138.03052	1.7
139.03951	0.8
139.05443	0.9
143.04897	2.1
145.02840	0.9
145.06451	1.9
146.03577	1.6
147.04382	8.9
148.05139	3.4
149.02292	1.8
149.05934	1.8
150.03123	10.0
151.03893	10.2
152.01003	2.1
153.05461	7.0
155.04868	0.8
157.02785	1.3
158.03683	1.6
159.04407	72.1
160.04922	2.5
161.02327	8.0
161.05927	2.8
162.03110	5.7
163.03873	7.6
163.07593	1.1
164.04672	2.6
165.01775	0.7
165.05467	6.5
166.02538	0.9
167.03363	2.9
171.04408	7.2
173.02298	1.6
173.05933	1.4
174.03096	1.8
175.03903	8.0
176.04677	36.3
177.01837	11.8
177.05450	11.9
178.02577	10.0
179.03404	12.9
179.06883	1.7
180.00537	5.5
181.04936	5.2
185.02280	0.8
186.03088	4.7
187.03893	50.0
188.04567	3.0
189.01895	1.5
189.05450	3.2
190.02617	3.7
191.01747	1.4
191.03378	18.0
191.07019	10.7
192.04057	3.2
193.01340	2.2
193.04951	34.0
193.08606	1.3
194.02087	3.9
194.05247	0.9
195.02873	21.7
197.02538	1.0
197.04413	3.9
198.03020	1.0
199.03911	7.7
201.05409	4.3
202.02556	4.8
203.03383	14.3
203.07011	1.8
204.04156	28.0
205.01620	0.9
205.04959	21.1
206.02133	5.4
206.05580	1.0
207.02826	4.6
207.06520	2.9
208.03580	1.0
209.02672	1.2
209.04457	13.2
211.02365	3.0
214.02554	3.8
215.03377	41.5
216.04160	15.0
217.04907	11.2
218.02097	2.6
219.03188	6.3
219.06502	48.2
220.03555	2.7
221.04436	51.9
222.04861	1.6
223.02390	8.0
223.05949	5.3
225.03949	2.1
227.03351	1.6
229.04915	8.7
230.02057	3.3
230.05763	1.1
231.02939	6.0
231.06436	7.0
232.03654	14.4
233.04445	13.8
234.05104	1.3
235.05963	10.5
237.03882	2.6
242.02126	1.7
243.02861	7.4
244.03540	0.9
245.04407	7.6
246.05077	0.8
247.06001	100.0
248.03172	0.9
248.06409	2.5
249.03885	4.5
251.05513	1.0
257.04453	10.0
260.03180	7.3
261.03979	1.1
263.05499	35.9
264.05853	2.0
265.07098	1.9
267.05005	1.0
275.05484	79.6
276.05795	2.4
278.04279	0.9
293.06537	85.1
294.06836	2.2
311.07605	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	293.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
62.90956	0.5
67.05494	1.3
69.07073	1.1
69.79639	1.6
70.83662	0.5
71.05012	0.5
77.72614	0.5
81.07053	1.6
83.05009	0.6
84.08163	0.6
91.05487	1.8
95.08594	1.4
98.23354	1.0
98.97573	0.8
98.98500	0.7
105.14002	0.6
107.04951	0.5
109.06508	0.8
111.04430	1.5
113.09615	1.2
119.04937	1.0
123.04404	1.6
127.01248	0.6
131.08595	3.4
133.06514	0.7
135.04378	0.6
137.05986	0.8
139.03905	6.8
147.04422	2.7
161.05954	1.0
163.03957	0.7
165.05473	1.9
177.05481	1.0
179.07010	3.0
221.04520	0.6
247.16989	0.6
275.16403	1.4
293.09952	100.0
294.10431	4.1
301.92734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13590	0.5
52.75791	0.5
53.03937	1.1
55.01868	2.7
56.96562	1.2
57.03436	5.7
57.06815	0.9
57.07073	11.2
59.05005	1.0
61.02922	6.7
65.03941	1.4
67.05502	14.8
68.99792	0.5
69.03426	12.0
69.07039	2.4
70.03652	0.8
71.04990	7.3
73.02916	3.2
81.03418	5.0
83.01374	0.6
85.02902	75.4
85.06536	7.1
86.03238	0.6
87.04449	1.6
91.03938	3.1
91.05479	1.6
95.04967	25.2
97.02895	12.6
98.22755	0.6
98.97586	2.0
99.04462	2.7
101.02370	1.1
103.05462	1.8
109.02878	6.9
111.04439	0.8
113.06002	47.1
115.05410	0.9
116.98608	1.0
119.04978	1.0
127.03910	13.9
130.04118	0.6
131.04971	8.0
131.07036	100.0
132.07361	2.0
133.02831	1.8
133.06450	0.7
137.02350	0.6
143.00159	0.9
145.03822	1.1
145.04951	17.0
147.04391	2.3
149.05978	1.3
149.08080	0.5
150.03119	2.0
151.03944	1.7
153.05470	1.4
158.03586	0.5
159.04411	13.2
160.04901	0.6
161.02380	1.1
161.07149	0.8
161.96581	0.5
162.03094	0.9
163.03864	0.6
163.06012	3.2
165.05403	1.1
171.04417	0.8
173.01244	0.5
175.03923	1.5
176.04671	5.2
177.01849	2.5
177.05463	3.3
178.02574	2.1
179.03409	2.2
179.07024	0.7
180.00520	0.9
181.04950	1.2
187.03886	9.6
188.04517	0.7
191.03519	2.6
191.07014	1.9
193.01344	0.7
193.04965	6.6
194.02054	1.1
195.02913	3.9
195.06511	2.4
197.04483	0.9
199.03873	1.0
201.05481	0.5
202.02644	0.7
203.03438	2.2
203.07050	0.7
204.04126	5.0
205.04901	3.9
207.06627	0.7
209.04428	2.1
211.02269	0.6
214.02594	0.9
215.03377	7.4
216.04047	2.4
217.04987	2.3
218.02161	0.6
219.02927	0.9
219.06522	8.4
220.03564	0.5
221.04443	8.4
223.02382	1.2
223.06166	0.7
229.04968	1.4
231.02774	1.1
231.06448	1.1
232.03680	2.6
233.04449	1.8
235.05966	1.7
241.07080	2.4
243.02922	1.3
245.04349	1.3
247.05998	17.1
248.06296	0.7
249.03847	0.6
251.04309	3.3
257.04416	1.5
259.07925	0.7
260.03003	1.0
263.05460	7.9
269.05389	2.1
275.02390	0.8
275.05469	14.7
293.06595	16.1
311.06955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03949	0.9
55.01865	1.6
56.96570	0.5
57.03438	5.7
57.07072	9.4
59.05006	1.2
61.02922	6.0
65.03939	1.3
67.05504	15.0
69.03429	13.7
69.07068	1.8
71.01347	0.7
71.04990	5.7
73.02911	2.8
73.11063	0.4
81.03432	4.2
85.02901	72.7
85.06538	7.1
86.03252	0.7
87.04456	1.4
89.61546	0.5
91.03954	3.2
91.05516	0.6
95.04964	22.2
96.05294	0.4
97.02886	13.3
98.97577	1.0
99.04460	2.4
101.02351	0.9
103.03923	0.5
103.05447	0.7
109.02885	4.9
110.97534	0.4
111.04439	0.8
113.06002	46.0
114.06325	0.7
115.03944	0.6
119.04897	0.5
127.03914	12.3
131.05009	4.6
131.07034	100.0
132.07379	1.5
133.02835	0.6
139.03903	0.5
143.00200	0.4
145.04953	16.0
147.04443	1.1
149.05974	0.7
150.03145	0.7
151.03870	1.0
153.05440	0.8
159.04396	5.8
162.03127	0.6
163.06009	2.1
175.02621	0.5
175.03996	0.7
176.04700	2.9
177.01917	0.8
177.05484	1.9
178.02632	0.8
179.03404	1.4
187.03923	4.7
190.02681	0.5
191.03391	1.4
191.06992	1.0
193.04967	3.6
194.02174	0.5
195.02908	2.3
195.06615	0.6
197.04424	0.6
201.05499	0.5
203.03375	1.3
204.04134	2.1
205.04951	1.8
207.02832	0.5
209.04457	1.3
215.03398	3.5
216.04117	1.3
217.04904	0.5
219.03012	0.6
219.06528	4.1
221.04477	4.7
223.02393	0.8
223.06113	0.5
229.04988	0.9
232.03632	1.4
233.04366	1.2
235.05956	1.0
237.03999	0.4
241.07083	1.1
243.02867	1.0
247.05991	10.6
248.06436	0.5
251.04446	1.4
257.04440	1.6
263.05560	4.5
269.05469	1.0
275.05478	8.0
293.06549	7.0
311.06894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.07897	0.9
53.03949	3.4
55.01877	6.3
55.05257	1.6
55.05512	23.2
56.05839	1.0
57.03436	4.5
57.07070	3.0
61.06485	0.9
65.03942	2.7
67.05504	45.6
69.03429	2.8
69.07067	31.6
69.69313	1.9
69.69665	2.2
71.04984	5.2
71.08620	0.9
79.05492	42.7
81.03422	7.0
81.07056	100.0
82.07373	1.2
83.04980	6.6
83.08622	11.4
85.06555	5.0
91.05481	30.6
93.07045	29.1
95.04356	1.1
95.04966	21.9
95.08025	1.7
95.08607	28.4
95.09218	1.7
97.06529	7.2
97.10170	3.2
99.08071	2.5
101.06030	1.1
105.04501	1.7
105.07029	28.7
106.07315	1.0
107.04964	6.9
107.08601	18.3
109.06519	22.6
109.10139	14.2
111.08114	7.4
115.05438	1.8
117.07004	7.2
119.08581	30.8
121.06509	3.5
121.10140	13.9
122.03637	1.7
123.08074	17.4
123.11687	9.2
125.09639	2.5
127.07582	1.1
129.06999	2.6
131.08568	10.9
133.10129	20.5
135.08043	6.6
135.11659	7.9
137.05974	29.6
137.09595	7.9
139.11195	1.4
141.12668	1.2
143.08563	1.0
145.10123	10.6
147.07983	1.3
147.11690	17.8
149.09602	8.7
149.13232	3.6
151.11168	4.1
155.08578	1.1
157.10115	3.3
159.11682	9.3
161.09607	2.2
161.13274	2.9
163.11169	7.3
165.12775	4.8
171.11662	2.6
173.09607	1.2
173.13264	6.6
175.11166	3.0
177.12749	2.7
183.11699	2.5
185.13297	1.6
187.11250	1.0
187.14798	1.9
191.14302	1.9
193.12340	2.6
195.13768	1.2
201.12701	2.8
205.15808	1.4
207.13817	2.3
215.17917	1.4
219.13763	1.9
219.17468	1.4
223.13445	0.9
229.19496	2.4
237.14929	2.3
239.17929	3.6
240.18233	1.1
247.20590	4.7
251.16296	1.1
257.18964	6.5
275.20050	58.3
276.20416	1.9
293.21088	33.5
294.21280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03930	2.1
55.01873	6.9
55.05514	13.4
57.07079	4.5
57.22707	1.6
67.05506	29.5
69.07071	22.0
70.60526	4.1
71.04984	4.7
71.50898	1.7
74.98145	1.9
79.05491	18.3
81.03421	2.4
81.07055	33.5
83.04981	7.9
83.08617	4.5
91.05481	20.9
93.07053	20.9
95.04977	9.5
95.08064	3.0
95.08613	16.9
97.06522	4.1
97.10187	2.9
105.07034	28.6
107.04951	9.2
107.08604	15.2
109.06519	12.1
109.10152	9.8
111.08051	2.5
117.07022	5.5
119.08585	14.0
121.06518	7.2
121.10159	10.3
123.08088	5.5
123.11683	2.2
125.09606	3.3
129.07004	2.5
131.08571	14.3
133.10141	19.9
135.08083	3.7
135.11690	5.7
137.09669	3.5
143.08572	2.3
144.62994	2.2
145.10106	11.1
147.08037	3.5
147.11694	13.5
149.09625	5.3
151.11209	6.9
151.97064	1.9
157.10172	3.2
159.11693	5.9
161.09586	2.4
161.13234	1.8
163.11163	5.2
169.10202	2.4
173.09636	2.2
173.13278	3.2
175.11296	2.6
175.14859	1.7
177.12779	2.3
178.06296	2.3
187.11185	2.9
191.14349	4.6
201.12686	3.4
207.13754	3.7
219.13869	6.7
233.11728	4.6
239.17955	3.2
245.32271	2.4
247.20679	2.7
257.19037	12.8
275.20078	100.0
276.20477	4.0
293.21097	37.5
294.21387	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	5.6
55.01869	34.1
55.05260	1.0
55.05510	15.5
55.93653	0.9
57.03426	3.1
57.07066	2.1
62.86412	0.8
65.03922	1.5
67.05502	39.8
69.03415	1.4
69.07066	49.4
71.04980	3.7
79.05492	38.6
80.05833	1.0
81.02952	1.6
81.03409	17.6
81.07053	48.7
82.07365	1.7
83.04981	8.4
83.08619	8.4
85.06540	2.5
91.05474	27.5
93.07040	35.2
94.06554	2.1
95.01318	2.3
95.04969	14.9
95.08600	32.9
97.06528	40.5
97.10163	5.1
99.08068	1.2
103.05473	1.1
103.66711	0.8
105.04521	2.1
105.07027	30.4
107.04962	15.4
107.08589	33.8
108.08862	1.1
109.06519	8.3
109.10149	10.1
111.08058	3.3
113.09612	1.1
115.05457	0.9
115.42158	0.8
117.07018	8.2
119.08577	21.0
120.08926	1.0
121.06509	6.0
121.10143	14.3
123.04455	1.1
123.08080	9.4
123.11712	2.3
125.09635	6.7
129.06998	2.9
131.08572	14.5
133.06450	1.3
133.10123	18.4
134.58498	1.2
135.08032	7.9
135.11676	11.8
136.08388	1.5
137.09644	5.5
139.07520	1.6
139.11172	1.4
141.06992	2.8
143.08565	2.3
145.06456	4.6
145.10103	13.4
147.08055	2.4
147.11676	11.6
149.09612	26.9
149.13199	4.3
151.11151	11.2
155.08562	1.6
157.10123	3.5
159.08047	1.4
159.11671	13.6
161.09616	3.3
161.13257	7.9
163.11191	12.5
163.14870	1.0
165.09108	15.2
165.12753	1.1
169.10165	2.4
171.11667	3.0
173.13298	7.4
175.11188	2.0
177.12694	6.0
179.14255	4.9
181.12254	1.2
183.11783	1.6
187.11154	7.9
187.14790	1.4
189.11224	1.8
189.12735	1.3
191.14232	0.9
195.13776	1.9
197.13255	1.8
205.12234	1.8
213.16324	1.0
215.14439	1.0
215.17918	2.8
217.15677	1.1
223.13206	1.0
229.19514	5.5
233.18951	1.4
239.17906	2.7
241.14281	1.5
247.20541	9.0
257.18958	11.6
257.55405	0.9
265.22644	1.5
275.20047	100.0
276.20490	4.7
282.81812	0.9
290.03296	0.9
292.27527	1.1
293.21063	25.8
293.27689	1.7
294.21637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.14943	6.0
52.17738	6.6
52.81823	6.3
55.05508	47.0
57.03425	12.0
63.42284	5.9
67.05513	70.2
69.03440	10.8
69.07063	30.4
69.49912	23.9
71.05017	11.2
79.05496	100.0
80.94877	6.7
81.03415	15.5
81.07059	46.4
83.08626	27.1
85.06512	8.0
87.05117	7.2
88.80214	6.2
91.05471	48.8
91.18956	5.6
93.07034	66.8
95.04967	41.0
95.08608	45.4
97.06516	11.9
97.10168	18.7
101.06010	9.7
105.07018	32.9
107.08604	53.3
109.06499	8.0
109.10157	22.2
111.08057	6.8
117.06982	6.8
119.08573	28.3
121.10122	36.5
123.11719	9.0
125.09647	14.0
131.08583	13.0
133.10143	24.2
135.11653	14.4
137.09610	31.5
139.11217	10.4
145.10126	15.0
149.09625	22.9
151.08592	8.1
153.09106	8.1
159.11717	14.0
161.13278	12.6
163.11237	11.2
173.13329	9.9
177.12764	7.7
189.11226	11.7
191.10770	6.9
199.46362	6.7
238.88901	10.2
275.20026	47.6
293.17923	10.0
293.21094	47.0
293.27740	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	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.74148	1.5
53.03942	4.7
55.01664	1.3
55.01876	13.2
55.05511	94.4
56.05844	1.6
57.03439	9.8
57.07061	4.5
57.12590	1.4
59.04984	4.1
65.03933	4.1
67.05504	96.2
69.03433	13.3
69.07068	50.4
70.39766	2.7
71.04990	12.5
77.03931	2.6
79.05492	95.6
81.03425	13.9
81.07055	83.8
82.07388	2.7
83.04982	13.8
83.08620	53.8
83.50560	1.6
84.76398	1.8
85.06533	6.3
91.05481	61.6
93.07044	69.2
94.07373	1.9
95.04967	59.1
95.08605	61.1
95.09220	3.2
97.06532	18.0
97.10168	27.4
99.04451	1.5
101.05987	1.9
103.05479	2.3
105.04523	2.6
105.07028	54.0
107.04958	11.5
107.08590	81.4
108.08881	2.2
109.06519	17.1
109.10156	35.9
111.08057	6.6
112.46465	1.4
117.07017	16.4
119.08577	50.6
121.06490	6.0
121.10144	39.6
123.08067	11.7
123.11692	7.7
123.59324	1.5
125.09624	21.0
129.06975	5.3
130.07712	1.9
131.08554	20.8
133.06488	2.0
133.10120	31.8
133.11034	3.2
135.08047	7.4
135.11687	13.4
137.05980	14.3
137.09612	51.8
139.11166	10.4
141.06987	2.6
143.08510	6.2
145.10143	23.1
147.08041	4.3
147.11676	19.8
149.09624	21.3
149.13235	2.9
151.11148	6.4
153.09146	3.4
153.12697	2.1
155.08568	2.0
155.10651	4.3
157.10100	5.6
159.11713	14.8
161.13226	6.9
163.11185	11.7
165.12758	2.8
167.10641	3.3
171.10236	1.7
171.11667	6.0
173.11826	3.4
173.13260	7.8
175.11124	1.5
175.14828	1.9
177.12714	4.5
181.12270	2.3
183.11687	5.4
185.13295	1.8
187.11125	3.1
187.13319	2.0
187.14828	2.0
189.11235	18.3
189.12749	1.4
191.14264	2.8
193.12221	5.2
197.13274	2.6
201.12730	1.6
203.12741	5.6
205.12254	2.8
207.13684	1.7
211.13287	4.4
219.17516	2.0
223.13275	16.9
227.47694	1.9
229.19490	4.4
233.18990	2.3
235.16991	2.5
237.11316	2.7
237.14726	3.6
239.17908	8.6
247.20555	4.2
249.18347	1.8
257.18964	13.4
275.20062	100.0
276.20291	4.7
293.21048	81.7
294.21381	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.98880	2.9
53.03952	2.9
55.01867	12.9
55.05511	18.6
57.03436	5.3
57.07074	4.6
59.43739	2.5
65.03921	3.5
67.05503	39.8
69.07060	21.6
77.24574	2.6
79.05489	35.2
79.47446	2.6
80.43751	2.4
81.03424	6.6
81.07053	51.6
83.04986	5.3
83.08609	15.3
85.06551	3.2
91.05472	31.3
93.07042	33.6
95.04975	8.1
95.08614	25.6
97.06535	15.8
97.10171	11.0
105.07007	31.3
107.04984	7.4
107.08582	46.2
109.06512	13.9
109.10175	15.6
117.07026	8.6
119.08572	27.1
121.06546	6.1
121.10185	14.7
123.08076	3.9
123.11716	6.4
125.09649	7.5
131.08553	14.4
133.10120	16.6
135.08090	4.8
135.11681	5.6
137.09642	7.3
145.10139	11.6
147.11682	14.3
149.09624	17.9
149.13318	5.0
151.11217	7.3
157.10217	5.1
159.11708	11.4
161.13237	5.2
163.11209	13.4
165.09137	5.6
165.12740	3.7
171.11731	4.7
173.13269	7.5
177.12721	6.2
187.11159	3.6
189.11226	3.1
229.19604	3.8
238.29764	3.1
239.17932	8.8
247.20572	6.4
257.19019	11.9
271.74731	2.6
275.20050	100.0
293.17468	7.1
293.21124	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01881	26.8
55.05516	66.2
57.03451	4.2
57.07081	19.8
62.42401	4.7
67.05507	51.2
69.07079	10.9
69.30670	21.7
71.61307	4.7
79.05495	92.5
81.03440	4.6
81.07060	46.0
83.04979	30.6
83.08607	22.3
85.56229	4.6
91.05474	41.0
93.07050	68.7
95.04988	18.3
95.08604	21.4
97.06551	29.8
97.07095	4.2
97.10165	26.8
105.07036	32.3
107.04955	53.6
107.08581	73.9
109.06528	5.6
109.10173	21.9
111.04461	10.6
111.08062	6.5
117.07031	13.0
118.42510	4.7
119.08575	27.6
121.06485	6.3
121.10165	24.6
123.11758	9.8
125.09646	35.4
131.08560	14.0
133.10139	21.6
135.08051	13.1
135.11710	6.1
139.07526	4.3
145.10129	15.4
147.11679	14.0
149.09625	79.3
150.10002	5.2
151.11269	4.0
153.05461	12.9
153.09109	7.0
159.11720	11.6
161.13312	6.7
163.11255	8.9
173.13222	4.9
177.05580	4.8
177.12885	6.8
181.04950	11.5
181.12228	10.2
187.14859	5.4
189.11195	20.5
191.10686	15.5
209.11736	35.2
219.10188	5.8
229.19551	7.8
237.11220	69.6
257.18985	22.8
275.20047	100.0
293.21234	8.1
308.19882	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03953	16.7
55.01872	28.4
55.05507	32.6
57.03442	8.1
57.07070	25.3
65.03947	9.1
67.05512	65.9
69.07067	44.6
69.28436	20.7
69.28848	11.8
70.54202	5.4
71.04987	8.4
71.08614	6.2
72.65668	6.2
75.81856	6.4
79.05492	44.9
79.17577	5.4
81.03414	55.4
81.07061	88.8
82.73525	5.6
83.04970	16.2
83.08600	11.8
84.79027	6.1
91.05468	68.7
93.07033	46.4
95.01296	7.3
95.04980	29.3
95.08606	51.2
97.06533	23.3
97.10176	6.8
105.07027	90.0
107.04958	31.1
107.08582	29.5
109.06442	7.3
109.10128	9.3
111.04440	24.7
117.07015	13.7
119.08553	51.8
121.06500	11.8
121.10140	19.5
122.22638	5.9
123.04456	9.5
123.08049	21.5
125.09595	33.5
131.08551	33.9
133.10127	63.7
135.04321	7.6
135.08072	12.0
135.11700	14.9
137.09616	7.0
139.07503	8.6
145.06523	8.8
145.10115	20.9
147.11690	21.0
149.09601	13.9
153.05498	16.5
159.11700	17.8
161.13312	8.2
163.11143	12.7
169.10150	7.7
177.05441	7.0
177.12715	9.5
179.14313	9.4
181.04976	25.3
187.11160	7.2
191.10658	26.5
195.10146	6.4
195.13792	7.0
209.11754	60.2
229.19551	7.6
237.11214	100.0
241.14413	6.0
247.20790	9.1
275.20065	80.5
293.17957	5.7
293.21240	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03947	5.2
55.01874	22.9
55.05514	31.4
57.03433	4.6
57.07074	31.6
59.05010	4.2
67.05501	59.4
69.03426	4.8
69.07069	23.2
71.05001	6.2
71.08634	3.7
79.05489	31.0
80.94885	3.6
81.03413	23.1
81.07056	60.9
83.04978	13.8
83.08614	17.8
85.02906	4.8
85.06544	11.4
91.05477	37.6
93.07045	39.0
95.04965	31.8
95.08596	38.6
97.06544	9.1
97.10169	7.7
105.07029	43.2
106.86720	2.8
107.04954	15.3
107.08604	33.7
109.06528	14.0
109.10164	30.1
110.36731	3.3
111.04449	14.9
111.08117	8.7
117.07003	9.1
119.08593	26.3
121.06530	9.8
121.10181	15.1
123.04424	4.9
123.08061	19.9
123.11720	9.0
125.06010	4.8
125.09656	6.6
131.08502	15.6
133.10120	37.5
135.08005	9.1
135.11670	9.3
137.09610	62.3
145.10095	15.1
147.08063	3.6
147.11682	9.1
149.09648	11.8
149.13260	5.2
151.11191	20.2
153.05438	3.9
159.11659	7.0
161.09648	15.1
161.13319	4.7
163.09880	3.6
163.11227	13.0
163.14822	5.4
164.92172	3.4
165.09106	12.5
173.13252	7.9
175.11237	6.3
179.10722	7.1
179.14377	2.8
181.04848	7.6
181.12283	7.5
191.10699	7.6
203.10832	7.9
207.13852	3.9
209.11729	23.3
219.08109	4.4
221.11720	23.8
229.19527	5.1
233.11792	4.7
237.11148	28.7
247.07530	5.3
247.20645	13.8
257.18991	12.3
268.23920	3.1
275.20087	82.2
293.21106	100.0
294.21506	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.17478	1.3
53.03929	2.2
55.01871	5.5
55.05511	32.9
57.03439	15.3
57.03705	2.1
57.07078	12.1
57.21775	1.4
59.65113	1.4
60.24371	1.4
65.03920	1.9
67.05502	34.9
68.97675	1.3
69.03434	2.3
69.07066	14.8
69.74356	4.7
71.08632	2.4
72.21034	1.3
79.05489	32.7
81.03414	8.1
81.07055	43.5
83.04987	14.1
83.08625	13.4
85.06554	7.1
89.39150	1.6
91.05480	32.0
93.07043	30.4
95.04960	13.4
95.08604	27.7
97.06528	5.3
97.10162	4.7
99.04460	5.4
99.08107	1.7
105.07022	26.0
107.04964	6.5
107.08590	25.9
109.06486	10.9
109.10153	12.0
111.04436	8.4
111.08088	5.3
117.07012	10.7
119.08557	20.3
121.06521	5.5
121.10138	14.1
123.08054	7.0
123.11708	2.8
125.05953	2.5
125.09634	5.6
129.06987	3.2
131.08571	13.0
133.10124	16.2
135.04466	2.0
135.08038	8.0
135.11682	7.3
137.09613	12.0
137.58334	1.3
143.08565	2.8
145.10104	10.4
147.11653	7.3
149.09628	8.8
149.13245	2.9
151.11176	5.4
153.05495	4.8
153.09160	1.7
157.10121	2.6
159.11717	6.0
161.09633	3.0
161.13182	3.4
163.11179	5.2
163.14827	1.8
165.09181	1.9
167.10762	1.9
170.11745	5.0
173.13229	3.8
175.11221	2.4
177.12782	2.0
181.04930	6.8
181.12160	3.0
185.13304	5.3
189.11150	2.0
191.10689	7.7
193.12282	3.3
195.10153	3.3
195.13806	1.7
201.16383	4.5
203.14285	2.3
209.11740	15.0
209.15404	1.9
213.16443	1.8
219.10176	3.1
219.17435	100.0
220.17789	5.3
221.15477	3.4
223.13237	1.7
233.11652	1.6
237.11205	30.0
239.17943	1.8
247.20674	3.8
257.19073	4.4
275.20068	31.1
277.21548	3.9
293.17520	2.1
293.21088	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	294.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65472	0.2
65.03941	0.9
69.03421	0.2
69.69076	0.7
69.69418	0.4
88.67999	0.2
91.05481	12.2
98.22736	0.3
119.04942	30.7
119.42658	0.2
120.05281	0.8
127.26225	0.2
128.04109	0.2
131.14890	0.2
147.04405	100.0
148.04738	2.9
262.30756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98205	1.1
55.05509	4.2
68.99806	1.2
79.05486	5.6
81.07054	100.0
83.04967	2.2
84.39330	1.1
84.93256	1.2
85.02931	3.2
85.06584	1.5
87.00831	2.0
91.05461	2.1
93.07038	1.6
97.10155	2.3
99.08091	9.2
109.06527	11.5
111.04436	1.7
119.04935	4.3
127.07547	87.3
137.05969	29.5
145.08589	66.7
147.04405	11.5
148.04720	2.3
150.07773	2.5
155.07016	9.5
158.80115	1.1
173.08102	17.4
211.09726	1.4
230.08911	1.4
231.08673	2.5
241.07048	22.0
242.07571	1.5
259.08078	14.2
276.09372	3.4
294.09857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20767	0.6
55.01862	1.6
55.05500	1.4
57.03439	3.8
63.31717	0.7
67.05499	3.7
69.03432	10.2
69.41852	3.2
73.02908	2.5
79.05499	3.9
81.03397	1.9
81.07057	30.1
83.04961	2.1
85.02901	7.9
85.06559	3.6
87.04468	5.1
88.03961	0.9
91.05479	5.5
93.07034	4.7
94.04042	1.2
94.06572	1.2
95.04956	1.1
97.02895	6.9
97.06542	0.9
105.07014	0.8
107.04958	0.8
109.02805	0.7
109.06517	37.2
111.04442	7.5
115.03907	6.4
119.04951	6.0
120.08003	0.8
121.80939	0.7
124.07561	0.7
127.03928	1.2
127.07552	11.7
132.01607	0.7
133.04965	6.1
135.21309	0.6
137.05980	100.0
138.06306	2.4
138.09114	1.1
140.07054	1.1
145.04953	1.8
146.05994	2.1
147.04401	6.7
150.07753	66.5
151.03902	0.9
155.07025	32.3
156.07420	1.1
168.45088	0.9
173.08095	64.8
174.05438	1.2
174.08466	1.2
191.09094	1.2
208.42093	0.7
241.07127	1.5
259.08167	1.1
260.51987	0.7
276.06030	0.9
277.09186	2.4
294.09793	2.0
294.13174	1.3
294.17422	0.8
295.11414	3.0
318.38962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27606	0.6
55.01874	1.3
55.05484	0.7
57.03437	1.6
67.05505	4.2
69.03431	5.7
70.69640	1.1
77.51472	0.6
79.05484	4.0
81.03444	0.8
81.07059	32.2
83.04990	1.6
85.02910	5.0
85.06545	3.5
85.18873	0.7
87.00863	0.7
87.04479	2.1
88.65277	0.6
91.05482	4.7
93.07056	6.9
94.06567	0.7
94.33811	0.5
95.04961	0.7
97.02892	2.9
99.04438	1.2
109.06524	39.3
110.06833	1.4
111.04456	9.0
115.03941	2.9
119.04957	4.3
127.06681	1.1
127.07565	12.0
133.04985	4.0
137.05981	100.0
138.06320	2.7
138.09125	1.0
140.07066	1.0
145.04961	1.0
146.06035	0.9
150.07777	1.9
151.04041	0.7
155.07028	37.7
173.08099	72.3
174.08453	1.1
191.09082	1.2
192.60201	0.6
195.10060	0.8
241.07072	1.0
259.08307	0.7
277.09195	1.8
294.09805	0.8
294.17120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
55.05511	21.1
57.03430	3.8
59.04998	100.0
60.05327	1.3
67.05499	6.5
69.03410	1.7
69.07059	4.0
71.04996	7.4
79.05492	4.8
81.07041	5.6
83.04973	1.0
83.08619	10.4
85.02911	3.7
87.04462	38.8
87.96070	0.9
89.06039	1.4
93.07052	1.6
95.08594	2.9
97.02896	0.9
97.10162	16.4
98.22701	2.0
99.04446	4.0
105.07047	1.4
107.08597	5.5
108.34743	1.0
109.10140	2.7
111.04447	1.2
117.05485	1.6
119.08562	1.4
121.10089	1.5
125.09628	11.6
145.10109	1.0
149.13298	1.0
153.12767	1.4
155.10706	2.1
163.11191	2.7
173.11778	6.3
190.14485	1.3
209.60728	1.0
210.69273	0.9
228.84546	1.2
260.37579	1.1
294.24298	1.9
295.15344	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	294.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24563	1.5
55.01868	8.9
55.05515	74.3
57.03441	15.2
59.05003	73.0
64.04611	1.7
65.28378	1.6
67.05506	24.4
69.03419	8.7
69.07063	15.5
69.91519	6.0
71.04995	31.7
79.05508	19.7
81.03423	5.9
81.07061	26.1
83.04961	9.2
83.08622	35.9
85.02907	18.1
85.06571	2.6
87.04469	100.0
88.91432	1.6
89.06036	9.3
91.05487	6.8
93.07039	9.1
95.04963	3.5
95.08618	13.7
96.08978	3.4
97.02903	2.2
97.06528	2.2
97.10175	62.6
99.04456	21.4
100.11286	3.1
101.09686	2.0
105.07022	4.8
107.08607	18.7
109.06524	3.7
109.10164	8.1
111.04432	4.6
111.08104	3.0
117.05514	6.4
117.07020	2.9
119.08565	4.9
121.10160	5.1
123.08138	1.9
123.11710	2.7
125.09634	54.3
131.08527	3.1
135.11714	7.0
143.10666	4.5
145.10121	8.0
153.12759	8.6
163.11172	14.9
168.17558	6.2
169.47841	1.9
173.09641	2.6
173.11766	8.1
191.10751	3.3
206.10054	1.7
209.11777	2.5
214.89954	1.7
223.13474	2.1
243.02426	1.7
243.05144	2.1
259.09024	1.8
266.79153	1.7
294.17081	4.6
294.20731	4.0
294.24567	2.2
294.28653	5.6
295.15131	36.4
295.23779	4.3
303.41638	1.9
307.60486	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05515	6.4
57.03440	3.1
57.07081	0.6
58.20625	0.3
59.04999	0.7
65.03940	1.0
67.05504	27.9
68.05032	1.3
69.03420	1.0
69.07070	3.3
70.06592	58.1
71.04995	2.0
75.04062	0.4
79.05489	12.0
81.03435	1.1
81.07056	19.5
83.04975	0.6
83.08621	2.0
85.02909	0.4
87.04497	2.0
90.77130	0.4
91.05480	3.6
93.07042	6.5
95.04971	1.5
95.08606	46.8
96.08949	1.1
97.06534	1.0
105.04527	0.4
105.07027	5.4
106.06645	0.5
107.08588	10.9
109.06516	4.5
109.10156	17.2
110.10501	0.6
111.08086	0.6
114.05518	4.2
115.03941	0.4
116.07088	100.0
117.07473	0.9
118.06553	0.4
119.08577	4.9
121.10118	2.3
123.08069	2.7
123.11694	1.4
127.20829	0.4
133.10118	2.8
135.11684	1.8
137.09566	0.5
149.13284	2.2
150.09174	0.5
151.11192	0.7
151.13594	0.6
151.14813	11.6
154.08664	0.4
156.79166	0.3
161.13245	3.7
176.14346	3.5
179.14314	3.1
196.13321	13.5
208.16974	1.2
219.01454	0.3
245.12347	0.5
294.17377	0.8
294.20645	18.4
294.24124	1.0
295.15204	1.5
310.96054	0.4
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
57.07071	0.4
67.05490	0.6
70.73523	0.2
71.08606	0.4
77.03899	0.2
78.60622	0.2
79.05487	0.3
81.07059	1.8
91.05491	0.4
92.36291	0.2
94.04185	1.7
105.57592	0.2
107.05004	0.2
109.06493	0.2
114.09147	0.2
122.03646	5.5
123.11705	1.6
137.05978	100.0
138.06300	1.5
139.11205	0.2
141.12775	0.3
158.15442	1.3
170.15408	2.3
294.20923	0.4
307.36896	0.2
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	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01863	0.3
55.05495	0.9
57.07067	1.3
64.77305	0.2
67.05503	1.3
69.07086	0.5
69.50138	0.5
69.50520	0.4
71.08637	1.3
79.05487	0.7
79.88951	0.2
81.03402	0.3
81.07045	1.2
82.76009	0.2
83.08603	0.5
88.07681	0.2
91.05463	0.7
91.56510	0.2
93.07010	0.3
94.04186	1.7
95.04956	0.3
95.08583	0.5
97.10201	0.4
99.08066	0.3
105.07005	0.3
107.04930	0.3
107.08582	0.4
107.79690	0.2
109.06491	0.3
109.10146	0.4
117.87762	0.2
122.03645	6.8
125.09632	0.5
137.05972	100.0
138.06319	1.9
141.12732	2.4
151.11183	0.3
158.15398	1.3
170.15430	0.3
189.11201	0.4
277.21680	1.3
287.33871	0.3
294.20691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.9295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42975	1.6
63.89855	1.4
70.02811	3.4
70.06626	1.4
76.60398	1.5
98.23114	1.3
98.97589	2.4
123.01702	1.3
127.42321	1.3
136.94022	100.0
163.54024	1.4
212.84167	2.5
253.05629	16.4
270.91107	2.2
288.92084	2.6
295.06488	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	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69864	1.9
53.99513	2.1
55.01870	11.1
56.27760	1.9
57.03432	29.7
59.04981	3.1
61.02922	12.3
61.36205	2.0
69.03427	42.3
71.01355	6.3
71.04980	2.5
73.02914	44.8
73.03294	3.4
81.03410	5.4
81.07063	2.6
85.02901	100.0
86.03251	2.6
86.86576	1.9
87.04449	6.7
91.03957	3.1
94.04221	2.1
97.02890	46.2
98.23513	3.9
99.04465	4.2
103.03951	5.5
103.91083	1.8
107.08578	6.2
109.02888	7.8
115.03933	22.8
121.10083	2.2
127.03912	21.0
133.04951	42.5
145.04935	20.8
163.06033	5.1
163.11195	6.4
167.79008	1.9
181.12268	2.3
222.31383	2.3
223.85023	2.0
295.06082	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03939	1.7
55.01871	2.9
55.05518	1.8
56.29728	0.9
57.03434	23.9
58.90259	0.8
59.04996	3.8
61.02929	6.1
65.43439	0.9
67.05489	1.7
69.03426	100.0
69.36790	3.8
70.03743	0.9
71.01353	3.2
71.04996	2.6
73.02914	14.0
75.04491	1.5
81.03417	18.3
83.04969	2.8
85.02901	60.1
86.03242	1.2
87.04461	35.3
91.03944	1.0
95.04972	2.1
97.02888	57.3
98.22723	1.9
99.04449	17.2
103.03936	11.5
104.68137	0.8
107.04964	1.4
109.02872	6.4
109.06468	1.1
111.04440	3.5
115.03924	54.7
117.05511	3.5
119.04928	1.0
123.04411	5.5
125.02357	1.6
127.03907	16.1
132.97324	0.8
133.04961	51.8
135.04402	1.7
139.03908	2.5
141.27225	1.0
143.03404	1.5
145.04953	32.0
147.04509	1.2
151.03906	2.9
157.04956	2.7
161.04451	4.5
163.06058	1.5
163.11194	1.7
165.05476	1.5
169.04973	9.6
175.06081	1.2
181.04967	1.4
187.06068	2.3
193.05019	1.7
194.25166	0.9
199.05966	1.9
205.05238	0.8
205.07120	2.3
211.06062	1.6
217.07185	1.2
223.06068	1.7
229.07147	2.4
241.07094	7.2
259.08188	8.2
277.09143	13.9
295.10251	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.67499	1.5
55.01856	3.8
57.03436	44.7
59.04993	3.1
61.02928	12.2
67.05489	2.2
69.03427	55.5
71.01374	9.0
71.93047	1.3
73.02915	100.0
81.03408	7.7
85.02903	70.5
87.04464	10.8
91.03925	3.1
95.08632	1.8
97.02890	64.1
99.04446	2.8
103.03924	4.8
109.02866	4.4
111.04439	1.6
112.77026	1.7
115.03926	72.1
123.04372	3.2
125.06033	1.4
127.03911	15.6
133.04961	25.5
133.06490	2.3
137.05975	1.2
139.03903	6.3
145.04955	17.1
147.04483	1.7
151.03882	2.5
155.03413	2.5
161.06026	2.7
163.06015	5.5
163.07437	1.5
165.05473	1.9
175.07401	1.3
179.07028	5.7
193.05141	1.3
222.19231	1.2
223.05882	3.6
241.07010	3.8
259.08136	2.6
277.14801	1.3
277.18079	2.0
278.70966	1.2
295.09836	1.4
295.15216	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46474	2.3
55.01852	14.0
57.03439	42.8
59.04983	6.7
61.02926	16.1
67.05501	4.1
69.03427	52.9
69.38705	5.6
69.39098	5.9
71.01353	7.9
73.02914	69.1
74.03185	2.4
79.28199	2.6
79.66238	2.5
81.03410	10.4
81.07034	3.8
85.02901	100.0
85.06579	2.9
87.04462	12.4
91.03963	5.3
91.05484	6.1
93.07044	3.8
95.08616	5.5
97.02892	72.2
99.04447	6.7
103.03938	3.7
105.07032	4.9
107.08582	3.2
109.02880	11.7
111.04421	4.9
115.03931	45.6
119.08617	6.7
123.04453	3.7
123.68991	3.4
127.03880	23.1
127.59962	2.5
133.04959	51.2
139.03894	5.4
143.08578	4.4
145.04941	26.8
145.10127	3.0
151.03914	11.0
151.05016	3.4
163.06108	4.4
167.05638	3.1
169.04958	3.1
179.07025	4.5
197.85391	2.4
205.96034	2.5
295.07938	3.2
295.15323	11.9
295.18573	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29948	0.5
53.03944	1.3
55.01861	1.9
57.03435	50.8
59.05000	2.0
61.02925	13.7
66.66689	0.5
69.03426	52.1
71.01355	8.7
71.04985	1.0
71.44933	0.5
73.02914	100.0
74.03257	0.9
75.04481	0.7
79.49665	0.5
81.03410	3.5
81.51086	0.5
83.93205	0.5
85.02902	63.9
86.03237	1.0
87.04465	8.3
88.03979	3.2
91.03981	1.9
91.05473	0.7
93.07054	0.5
94.06566	3.3
95.04964	0.6
97.02888	62.1
97.18917	0.5
98.03315	0.7
99.00831	0.9
99.04462	1.4
103.03957	1.9
104.03427	0.8
109.02864	3.7
115.03926	67.0
116.04277	0.8
120.04435	1.0
123.04427	0.7
127.03907	13.9
133.04965	21.2
135.04448	1.0
136.07579	0.6
139.03859	1.1
145.04951	16.0
146.06006	8.9
151.03999	0.6
153.05502	0.7
161.77376	0.6
163.03908	1.1
163.06007	3.3
169.04945	1.1
171.61342	0.6
174.04042	1.3
174.05534	3.0
177.05441	1.0
181.04939	2.8
185.93880	0.5
193.04951	1.1
202.03497	1.3
202.49265	0.6
205.04907	1.3
223.04037	0.5
223.05971	2.9
241.07063	2.8
259.08209	2.1
295.10300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.79025	1.8
57.03184	3.6
57.03440	52.8
58.88880	2.1
61.02926	15.2
69.03065	3.7
69.03429	52.4
69.62907	3.2
69.63258	5.8
71.01353	10.2
73.02917	100.0
81.03421	4.6
85.02910	63.3
87.04471	5.5
90.52674	1.8
91.05424	1.9
92.86122	1.9
97.02895	62.3
98.23434	2.4
99.04466	3.9
109.02882	3.9
115.03938	71.2
127.03889	14.0
133.04971	23.0
145.04997	13.1
163.06049	4.2
177.73512	2.4
207.96532	2.2
241.07091	3.7
251.20905	2.9
265.87582	2.0
295.11624	2.3
295.23737	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03954	1.4
55.01869	3.4
55.05526	0.5
57.03434	19.6
59.04998	4.1
61.02922	9.0
61.61674	0.5
67.05502	0.7
68.99785	0.5
69.03425	87.6
69.07063	6.9
69.50924	2.3
70.03759	1.1
71.01339	1.7
71.04981	3.4
73.02910	5.9
73.06555	0.7
75.04474	1.6
79.05493	0.9
80.11948	0.5
81.03414	16.1
81.07041	1.3
83.01345	1.0
83.04980	2.9
85.02898	100.0
86.03244	1.0
87.04462	38.0
87.08099	9.8
91.03948	4.3
91.05463	2.9
93.07054	0.6
95.04977	2.0
97.02885	59.1
97.06479	0.6
98.03218	0.6
99.04448	12.9
101.02399	1.4
103.03929	7.3
107.04984	0.5
109.02873	8.2
111.04424	3.5
113.02384	1.2
115.03924	47.3
116.04267	1.0
117.05475	1.8
117.09127	2.1
119.04926	1.9
121.06437	0.8
123.04450	2.9
123.05156	0.4
125.02332	1.1
127.03909	20.2
128.04189	0.8
133.04958	48.5
135.04417	1.9
136.07555	7.6
137.05962	0.8
139.03879	1.3
141.05392	0.6
143.03299	0.7
145.04945	33.7
147.04393	1.4
148.04726	1.6
149.05890	0.6
150.07732	3.3
151.03857	2.1
153.05469	0.7
157.04955	1.5
161.04401	1.7
163.03946	0.6
163.05988	3.3
165.05458	1.0
169.04962	5.8
175.05928	0.6
177.05435	0.9
181.04962	1.1
187.05916	1.3
193.04858	1.4
195.06491	0.6
199.05875	1.1
205.06944	1.1
211.06033	1.1
222.99620	2.1
223.05899	1.2
229.06947	2.0
241.07037	3.9
244.00006	0.5
253.05208	0.6
259.08047	2.5
277.09177	6.1
277.15326	0.5
278.09387	0.5
295.16519	2.2
296.18243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68886	0.3
52.64501	0.3
53.03938	0.5
55.01857	0.8
57.03438	2.4
57.04553	0.8
58.88889	0.3
61.02924	3.2
69.03067	0.4
69.03428	6.5
69.07059	3.5
69.46918	1.4
71.04991	0.7
73.02911	1.2
81.03413	2.2
81.07082	0.4
85.02903	30.4
85.88705	0.3
86.03243	0.5
87.04456	1.2
87.08104	4.7
91.03934	1.5
91.05453	0.3
94.04036	2.3
96.05575	0.4
97.02897	6.5
99.04455	1.5
101.02409	0.3
107.31717	0.3
109.02868	1.9
112.05082	0.3
115.03936	0.9
119.03557	0.3
120.08091	0.5
123.06673	1.8
124.28152	0.3
127.03909	5.9
128.33931	0.3
131.04955	0.4
133.05051	0.8
133.08574	0.3
135.05408	0.3
136.07553	0.5
145.04953	6.9
148.25037	0.3
150.07745	100.0
151.08202	1.3
163.06007	1.3
171.76456	0.3
181.04881	0.3
229.08826	0.3
247.05984	0.3
254.24295	0.3
271.28964	0.3
278.11310	0.4
295.08234	0.6
295.11423	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	295.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
54.34419	0.4
55.01873	2.4
57.03438	6.2
59.04978	0.7
61.02632	0.7
61.02927	10.3
69.03429	23.6
69.06708	0.8
69.07069	10.9
71.01357	0.6
71.04996	2.0
73.02915	4.5
73.06561	0.8
76.67323	0.4
81.03413	7.2
81.03848	0.8
81.07048	0.9
83.04953	0.4
85.02902	100.0
86.03224	1.6
87.04470	4.8
87.08108	15.9
87.08641	0.9
91.03960	6.1
91.05470	2.0
94.04077	0.5
95.04951	0.5
97.02890	24.3
98.03185	0.5
99.04450	5.2
101.02373	0.8
103.03967	0.8
105.09148	0.9
109.02873	7.4
115.03926	4.7
115.07608	0.5
119.04981	0.8
120.08090	0.5
127.03911	20.2
133.04974	3.9
133.08612	1.6
136.07578	5.2
137.05930	0.8
138.06261	0.7
139.03873	0.4
141.52818	0.4
145.04958	27.8
150.07748	17.7
151.03928	0.8
156.07358	0.4
163.06033	4.2
164.01166	0.4
166.08723	0.6
169.04956	0.8
174.82169	0.4
177.05469	0.7
229.21014	0.4
295.16544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01871	2.3
57.03437	5.5
57.04563	0.6
61.02924	9.2
69.03427	19.9
69.07066	9.4
71.04993	2.1
73.02914	3.7
73.06564	1.1
81.03416	5.7
83.01351	0.5
84.04490	0.5
85.02901	100.0
86.03257	1.8
87.04464	3.4
87.08103	17.1
91.03959	5.1
91.05476	0.8
92.11467	0.4
94.04060	1.5
95.64156	0.5
97.02893	21.0
99.04447	3.5
101.02398	0.9
103.03954	1.6
105.09120	0.6
108.98782	0.5
109.02876	7.0
110.03209	0.6
115.03913	2.0
117.05438	0.4
119.04917	0.5
120.08135	0.7
123.06689	1.5
127.03909	21.3
128.04324	0.5
133.04953	2.6
133.08594	1.7
136.07565	1.2
138.29773	0.4
145.04950	26.7
147.04395	1.0
148.04730	1.1
150.07744	65.5
151.08148	0.7
163.06007	3.2
165.05487	0.5
169.04897	0.5
174.96921	0.5
281.51111	0.6
295.11572	2.7
299.11157	0.4
302.28729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68398	0.6
53.03941	1.0
55.01867	1.3
55.05510	5.9
57.07071	1.3
59.05000	0.9
62.06080	0.7
65.03954	0.7
67.05514	3.0
69.03422	2.8
69.07049	2.9
70.33765	1.2
71.04990	0.8
71.08624	1.2
76.51509	0.6
78.79955	0.6
79.05496	3.3
81.03423	0.7
81.07059	6.4
83.01331	1.5
83.04959	1.1
83.08634	3.1
91.05486	5.5
93.03353	0.9
93.07037	2.7
95.04955	2.3
95.08602	1.7
97.06510	1.1
97.10143	0.6
98.23019	1.3
99.04424	1.0
99.08076	1.3
103.05473	1.2
105.07051	3.1
107.04945	0.8
107.08568	0.8
108.05729	0.7
109.06508	4.7
109.10147	1.2
115.05423	1.6
117.06983	1.2
119.04942	1.6
119.08566	1.9
121.06486	5.9
123.04423	0.7
123.08028	3.3
124.05177	0.7
125.06036	3.4
125.09612	1.4
128.06236	0.8
129.06999	6.2
131.08574	1.5
133.06487	5.0
135.04367	1.0
135.08067	1.2
136.05188	2.1
137.05983	21.6
137.09573	0.8
139.03906	3.3
139.07529	6.5
140.04697	8.0
141.07066	1.1
142.07782	4.8
143.08481	0.7
145.06491	1.7
147.04408	2.8
147.08022	2.8
147.11702	1.4
149.02408	0.6
149.07114	0.7
149.13257	0.7
151.07539	70.7
152.07915	1.5
153.05469	15.0
155.03416	0.6
155.07025	11.6
157.10118	11.7
159.08018	1.7
159.11662	2.3
160.05202	2.2
160.08817	1.1
161.05971	7.4
161.09579	0.8
161.13203	0.7
163.03809	1.5
163.07510	1.1
165.05460	2.2
165.09129	1.6
167.07039	11.5
167.08369	0.6
168.04172	12.1
169.04955	2.3
173.05983	1.8
174.06743	2.9
174.10434	1.1
175.07558	4.9
175.11191	5.2
177.05481	2.8
178.06161	0.9
179.07045	3.9
182.05634	1.6
183.06528	100.0
184.06871	2.2
185.09653	3.8
187.07497	1.1
188.08340	5.6
189.09117	2.9
189.12749	12.6
191.07050	1.1
193.08583	5.6
195.06500	1.2
197.04428	1.5
201.09097	0.8
202.09866	3.1
203.10651	22.6
204.11150	1.4
207.10132	1.5
207.13817	4.2
209.08153	1.2
213.07579	1.9
217.12227	19.3
218.12569	1.3
219.10104	1.1
220.10785	1.0
221.08015	0.8
221.11758	3.3
225.07570	9.5
233.11642	1.0
235.13284	49.6
236.10327	1.1
236.13597	2.2
239.11739	0.8
251.12762	1.0
259.13321	0.6
263.12878	1.7
277.14276	1.2
278.21893	1.2
295.15414	1.9
295.20203	1.0
295.23004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05508	2.6
57.07074	8.2
58.99578	2.8
67.05477	1.5
69.07072	13.0
71.08632	4.4
79.05494	16.8
87.02694	3.5
91.05473	8.0
93.07034	1.5
95.04960	2.8
97.01101	1.2
101.04255	0.9
103.05460	11.5
104.99277	1.4
105.04514	2.2
105.07029	71.0
106.07838	7.9
106.78331	0.8
107.08585	2.9
109.10187	0.9
119.44496	0.7
119.45529	0.7
120.96737	0.7
121.06515	1.3
133.06490	49.1
134.07286	29.2
135.08054	100.0
136.08401	2.0
137.04202	4.6
137.05992	0.9
140.58316	0.7
143.08894	3.9
150.01364	2.0
151.07535	19.8
159.08051	1.0
161.09671	1.6
165.03700	53.3
167.05264	10.7
179.05260	13.0
183.04965	0.8
185.13373	0.8
197.74863	0.9
201.81317	0.7
206.88927	1.1
248.90012	1.0
277.16196	31.9
278.16577	1.9
295.17239	22.0
296.17526	1.3
296.31387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	[6]-Gingerol
Peak:m/z	Relative Intensity
53.03927	0.9
55.01862	1.3
55.05510	5.8
57.03433	0.6
57.07073	8.7
57.07341	1.1
65.03944	3.5
67.05218	0.6
67.05511	8.1
68.99780	1.1
69.03429	1.4
69.07063	6.5
69.25066	0.9
69.25478	2.9
71.04992	0.8
71.08621	3.1
73.02904	0.7
75.32456	0.7
77.33799	0.6
79.05482	2.5
81.03406	2.0
81.07056	5.7
83.04977	0.9
83.08614	3.1
85.02901	1.6
85.10181	2.5
87.38081	0.6
88.46210	0.6
91.05471	4.8
93.03397	1.7
93.07049	1.4
95.04970	4.6
95.08593	5.9
97.02886	1.0
97.06509	0.9
97.10152	1.0
99.04460	0.7
103.05464	1.0
105.07018	2.8
107.04948	2.3
107.08592	1.5
109.02862	2.0
109.06521	1.5
109.10138	2.0
111.04436	17.7
115.03922	0.9
115.05439	1.7
117.07034	0.8
119.04928	5.4
119.08556	3.6
121.02859	4.8
121.06506	1.2
123.04425	50.4
123.08087	0.8
123.11681	1.0
124.04767	0.9
127.03927	2.2
129.07060	1.3
131.04951	0.7
133.02872	1.1
133.06467	5.8
133.10143	1.8
135.04384	0.8
135.08066	0.8
136.55917	0.6
137.02316	1.5
137.05978	6.1
139.03894	100.0
140.04202	2.3
143.04845	0.7
145.04880	0.8
145.06502	1.2
147.04385	8.8
147.08066	4.2
149.05992	3.6
151.03897	7.5
151.07539	2.8
153.05463	4.5
155.03358	3.7
161.05984	8.3
161.09625	1.9
163.07524	3.3
165.05472	23.4
165.09125	0.7
167.07094	0.8
175.07558	2.6
175.11108	1.1
177.09149	1.4
179.07021	18.4
189.09073	1.3
193.08560	3.8
203.10640	0.9
203.17920	1.7
221.18985	1.9
231.17439	8.5
249.18486	14.4
250.18813	0.8
259.16956	4.7
277.17975	14.8
295.05972	0.8
295.18954	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	295.2271
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
50.98520	3.6
55.01865	10.2
55.05513	55.2
57.03436	9.4
57.07071	12.9
57.61859	3.6
59.04976	4.5
67.05162	5.7
67.05510	95.1
69.03434	8.8
69.07069	51.2
69.39278	15.9
71.04989	8.7
71.08635	12.9
79.05496	70.9
81.03432	8.5
81.07061	100.0
83.04983	33.1
83.08612	25.2
85.06538	9.4
88.22675	2.9
91.05491	43.3
93.07050	78.4
95.04958	23.5
95.08613	67.4
97.06532	18.1
97.10178	22.8
99.08087	8.8
105.07040	35.8
107.08604	41.0
109.06519	15.7
109.10159	29.5
111.08066	10.7
117.07016	7.5
119.08586	30.5
121.10165	31.6
123.08067	7.1
123.11698	6.5
125.09628	11.2
131.08572	8.6
133.10138	15.5
135.08084	4.3
135.11694	16.5
137.09636	7.5
139.11191	38.9
145.10110	8.0
147.11688	20.9
149.13237	14.4
151.11165	6.9
153.12753	7.6
157.10104	6.0
159.11647	4.7
161.09579	3.9
161.13278	10.2
163.14825	5.3
165.12787	10.0
171.11681	6.2
175.14851	6.6
179.14284	7.6
181.49689	4.0
193.12288	6.1
207.13889	5.0
218.66110	3.7
218.68199	3.8
221.15370	6.4
222.99516	3.2
241.19395	7.6
249.22115	4.9
259.20615	8.2
268.91528	4.2
277.21613	89.4
278.22006	5.9
295.22656	90.1
296.23019	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	11.6
55.01870	5.8
55.05513	20.3
57.03434	2.6
57.07075	5.1
61.06610	1.1
65.03938	1.3
65.48642	1.3
67.05505	47.0
67.05871	3.0
67.54396	1.3
69.03440	1.7
69.07066	36.3
69.07455	2.1
71.04988	2.3
71.08631	3.0
72.92776	1.1
77.03941	1.5
79.05492	28.0
81.03415	60.0
81.07055	51.2
83.04982	14.1
83.08604	7.2
85.10178	1.6
86.06902	1.1
86.33672	1.4
91.05476	17.2
92.50186	1.3
93.07044	31.8
93.07552	1.4
95.04968	31.7
95.08605	17.7
97.06524	3.3
97.10162	6.3
99.08104	2.8
105.07027	15.5
107.08592	24.0
109.06517	9.7
109.10155	16.0
111.08088	2.8
117.07005	3.0
119.08575	10.0
120.24878	1.3
121.06509	1.7
121.10146	8.6
123.08072	2.0
123.11729	7.4
125.09586	8.3
129.07056	1.8
131.08578	3.1
133.10106	13.8
135.08063	5.2
135.11699	7.7
137.09639	1.9
143.08531	1.2
145.10167	2.9
147.11688	10.1
149.13237	6.0
151.11179	45.1
152.11548	1.5
153.09123	4.2
153.40894	1.2
157.10147	3.8
161.09660	2.2
161.13292	11.0
163.14819	3.5
165.12749	9.6
171.10297	1.3
171.11690	4.8
175.11183	2.8
175.14867	4.8
179.14348	6.2
189.11169	1.6
189.12778	2.0
193.12265	3.5
203.14343	2.1
207.13844	3.9
213.16267	1.4
217.19522	2.8
221.15456	1.9
231.21069	10.6
241.19530	6.6
249.22159	4.4
259.20544	8.9
269.96820	1.4
277.21616	100.0
278.21906	6.8
295.22739	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.75832	1.3
51.72279	1.3
53.03941	2.8
55.01872	8.6
55.05514	20.9
57.03431	4.1
57.07072	11.9
59.05008	1.6
65.03931	1.7
66.25070	1.3
67.05505	43.1
69.06721	1.8
69.07076	21.7
69.69043	3.8
71.04993	3.1
71.08633	42.9
77.03955	1.8
79.05496	41.1
81.03407	4.8
81.07056	54.0
83.04980	9.2
83.08627	17.7
83.61504	1.7
85.06561	2.4
91.05473	19.7
93.07043	59.0
95.04989	6.9
95.08611	35.6
97.06558	6.8
97.10155	5.7
99.08091	29.6
105.04535	1.7
105.07039	13.5
107.04974	5.0
107.08588	37.6
109.06515	2.7
109.10159	12.7
111.08086	2.9
113.09671	2.3
117.07012	2.0
119.08586	9.8
121.06482	1.7
121.10147	36.0
123.08095	3.0
123.11700	3.7
127.11191	4.4
129.07002	1.5
131.08574	3.3
133.10117	8.6
135.08066	2.1
135.11697	43.2
137.09653	2.3
137.13268	4.1
139.11263	2.5
141.09119	2.5
143.08548	1.4
145.10153	3.9
147.11711	4.1
149.13220	13.3
151.11166	12.9
153.12723	4.4
159.11671	3.7
161.13232	10.8
163.11160	5.9
163.14842	3.4
167.10634	3.6
167.14351	2.5
171.11716	3.0
177.12790	3.6
179.14308	100.0
180.14665	2.5
181.12288	1.8
185.13281	2.2
189.12694	2.0
202.47823	1.4
221.15398	2.9
231.21263	1.8
233.22627	12.7
235.16959	4.5
240.98238	1.7
243.21138	4.5
259.20560	4.7
261.22119	5.8
270.64545	1.5
277.21643	46.4
278.21939	3.1
279.23328	8.7
295.22879	2.9
296.25818	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.54755	3.5
53.03929	4.7
53.32930	3.4
55.05510	22.5
57.03449	4.2
57.07079	8.3
67.05501	45.5
69.07060	17.4
71.08630	100.0
79.05491	47.1
81.03419	12.7
81.07048	43.4
82.94559	3.9
83.04969	12.5
83.08609	20.4
91.05479	24.2
93.07034	49.3
95.04959	14.1
95.08602	36.3
97.06527	10.2
97.10157	8.6
99.08089	91.4
105.07014	23.8
107.04920	8.8
107.08588	23.4
109.06558	5.0
109.10150	12.0
111.08115	5.5
113.09573	7.9
114.84783	5.0
117.07044	6.8
119.08562	16.7
121.06509	6.9
121.10131	15.5
125.09644	6.9
129.52939	3.8
131.08542	4.6
133.06456	10.1
133.10117	9.4
135.08089	4.1
135.11664	16.9
138.06371	4.2
139.07576	5.6
145.10118	12.4
147.11674	10.4
149.13231	9.9
151.11169	64.2
160.66339	3.8
161.13240	33.4
163.11182	31.3
171.11720	7.0
173.13283	4.8
179.14314	26.6
185.13263	6.8
235.17076	4.5
241.19470	9.9
259.20569	12.1
277.21573	53.9
295.22382	4.4
296.25601	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	295.2269
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
51.02348	1.1
53.03939	2.8
55.01866	7.8
55.05510	50.4
57.03439	20.7
57.07072	9.3
59.04990	1.1
65.03931	2.8
67.05502	87.8
69.03421	7.0
69.07066	39.7
69.07449	2.0
70.06609	2.1
70.06975	1.9
71.04987	10.1
71.08633	5.9
72.04704	0.9
73.06546	1.8
79.05489	47.1
79.05951	2.3
80.05821	1.8
81.03418	7.7
81.07053	100.0
82.07404	2.0
83.04982	14.5
83.08617	22.0
85.02898	1.3
85.06532	3.8
85.10183	3.2
91.05482	32.2
93.07041	47.8
94.07377	1.0
95.04408	1.9
95.04964	16.7
95.08603	47.6
97.06533	8.9
97.10170	13.3
99.04469	1.2
99.08091	4.1
105.04523	1.3
105.07025	22.2
105.35928	1.1
107.04934	1.3
107.08590	26.9
109.06517	8.7
109.10149	24.0
110.08637	0.9
111.08083	9.6
111.11704	2.3
113.09608	0.9
117.07005	4.9
119.08574	19.1
121.06511	1.6
121.10148	13.8
123.08064	5.9
123.11699	12.9
125.09632	10.4
127.07574	1.2
129.07004	4.2
131.08551	5.3
133.06474	1.3
133.10118	11.0
135.08061	4.5
135.11644	7.8
137.09604	6.9
137.13237	1.6
139.11143	6.7
141.12723	1.0
142.56021	1.2
143.08592	1.3
145.10147	1.7
147.08032	1.6
147.11670	10.1
149.09645	2.4
149.13263	6.6
151.07497	1.0
151.11160	2.6
153.09117	3.7
153.12737	4.4
155.10660	10.3
157.10085	2.8
159.11681	1.4
161.09619	2.3
161.13243	8.4
161.63914	1.0
163.11108	1.7
163.14851	2.9
165.12727	6.7
167.10641	1.0
171.11626	2.3
173.11749	3.2
173.13240	0.9
175.11191	4.2
175.14857	3.8
179.14348	2.3
185.13295	1.5
189.11201	1.8
189.12712	1.5
193.12122	4.8
207.13826	2.1
211.13310	1.3
217.19470	1.3
221.15399	1.6
231.21019	2.0
241.19536	3.1
249.22156	2.9
259.20633	3.3
277.21613	26.9
278.22021	1.1
295.22644	21.9
296.23026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
52.04002	3.1
52.30010	3.4
53.03953	9.4
53.33658	3.4
55.01871	17.4
55.05513	61.8
57.03432	13.1
57.07066	16.1
58.29462	3.8
65.03922	3.6
67.05163	6.3
67.05506	81.5
67.74232	3.6
69.03424	12.9
69.06714	4.0
69.07069	53.8
69.22879	16.0
69.23283	7.7
71.04993	9.6
71.08631	20.9
75.23476	3.1
79.05495	69.7
81.03416	12.0
81.07060	100.0
83.04984	23.0
83.08619	29.4
85.06551	7.0
91.05470	41.9
93.07047	79.8
95.04971	20.3
95.08599	60.2
96.08962	3.8
97.06527	16.2
97.10157	12.6
98.22688	7.3
99.08095	11.1
105.04539	5.8
105.07048	39.1
107.08595	32.5
109.06517	11.5
109.10172	26.0
111.08082	15.3
113.96319	3.7
117.07021	8.0
119.08580	27.7
121.10165	27.0
123.08097	6.3
123.11721	6.5
124.82035	3.3
125.09618	9.8
129.06992	11.4
131.08560	13.0
131.67499	3.6
133.06519	3.7
133.10130	34.5
135.11685	14.2
137.09578	5.9
139.11186	21.6
143.08554	5.1
144.37723	4.3
145.10115	7.3
147.11688	19.5
149.13248	14.8
151.11230	8.8
157.10147	8.7
159.11703	3.9
159.24593	3.5
161.13304	15.8
163.11177	8.0
165.12784	7.9
167.39169	3.7
173.13309	4.2
175.11192	6.8
175.14851	6.4
179.14395	6.6
185.13278	5.6
193.12250	10.0
207.13969	3.8
222.99806	7.1
231.21111	4.1
241.19426	4.4
249.22153	3.8
259.20578	10.0
277.21625	76.2
295.15668	5.7
295.22678	72.9
296.22876	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	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03942	5.3
55.01870	19.6
55.05512	47.4
57.03413	4.3
57.07077	7.9
58.05514	3.5
67.05504	66.7
69.03456	6.2
69.07072	34.9
70.55596	6.0
71.04983	4.4
71.08632	38.5
79.05492	41.5
81.03428	10.1
81.07053	61.9
81.32506	2.6
83.04996	15.2
83.08623	27.1
85.06523	4.4
85.10174	4.7
91.05481	27.4
93.07040	50.4
95.04974	9.7
95.08607	40.4
97.06512	13.1
97.10171	25.3
98.67459	3.1
99.08103	34.4
103.06613	2.4
105.07034	25.3
107.05003	3.4
107.08596	37.3
109.06550	6.6
109.10163	22.4
111.08089	17.3
113.09642	5.9
117.07047	9.7
119.08578	17.9
121.10157	22.3
123.08072	7.3
123.11710	7.6
125.09625	17.4
129.07033	6.3
131.08572	5.3
133.00995	2.6
133.10115	17.7
135.08090	5.3
135.11693	13.6
136.67699	2.6
137.09619	12.1
139.11153	6.2
145.10139	11.9
147.11707	19.1
149.13275	11.2
151.11186	32.1
153.12868	2.9
157.10081	3.9
159.11688	4.7
161.13298	13.9
163.11183	12.9
163.14763	4.7
165.12753	7.7
171.11650	5.6
175.14880	4.6
177.12840	3.3
179.14354	12.1
185.13304	2.8
189.11208	11.9
189.12674	3.2
193.15913	4.3
199.14775	6.2
241.19437	7.7
249.22090	5.1
259.20596	15.5
277.21606	100.0
278.21945	6.7
295.15155	2.9
295.22638	40.4
296.23135	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	296.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.01865	1.4
55.05504	2.6
57.03437	13.7
59.04997	1.9
61.02924	3.9
69.03440	10.2
69.53922	3.7
71.04990	4.8
71.08622	3.2
73.02900	2.1
74.56108	1.0
75.35131	1.1
79.05479	3.1
81.03416	5.1
81.07055	12.5
85.02906	22.5
85.03404	1.4
86.06078	1.2
86.09727	1.3
87.04465	7.4
89.41859	1.2
91.05486	3.7
93.07098	1.2
97.02898	8.1
99.04458	2.5
99.08106	22.5
101.76314	1.1
108.08164	1.3
109.02850	7.0
111.04443	1.7
117.09131	100.0
118.09437	2.2
119.04940	2.3
119.25279	1.2
120.05295	1.3
127.03931	8.7
133.08714	1.6
136.07574	10.1
137.07904	10.5
145.04984	7.1
153.01837	4.0
163.04065	1.3
166.08607	2.4
166.12247	7.7
168.06329	1.5
194.11748	2.3
198.11096	1.9
199.09624	1.7
210.14886	2.0
213.38573	1.2
217.10738	3.4
243.12303	2.0
250.10730	1.7
252.15952	9.0
278.10226	1.3
278.17529	1.3
296.11285	2.5
296.18668	36.7
297.06323	1.3
297.09207	1.8
297.12131	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	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.05375	1.2
55.05648	0.9
57.03318	1.1
57.03561	0.9
59.04875	1.1
59.05137	0.9
62.90923	0.5
63.72607	0.4
64.62452	0.4
66.79204	0.4
67.05363	1.0
67.05682	0.6
68.04907	0.5
69.06937	0.8
70.29720	1.1
72.07973	1.8
72.08424	1.1
73.06415	0.6
79.05319	1.3
80.04895	1.0
81.06877	1.7
81.89690	0.4
83.04825	0.8
84.07967	1.3
84.31844	0.4
85.73532	0.4
91.05300	1.5
93.06851	3.4
95.04781	0.6
95.08432	1.7
98.05896	1.1
98.22815	0.7
100.96854	0.5
101.05830	1.6
101.19591	0.5
103.05328	1.1
105.06902	1.1
106.23241	0.5
107.08405	1.7
108.07923	9.4
108.08719	1.4
109.08797	1.0
109.10004	0.9
109.10688	0.4
110.09520	0.9
116.06960	0.7
119.08441	0.5
121.06314	8.8
122.09468	8.1
122.10427	1.0
123.10249	1.5
123.11509	0.7
124.11060	0.5
133.10010	1.0
135.11507	1.6
136.11029	2.1
137.13126	1.0
148.22165	0.5
150.12773	16.5
151.13370	6.7
152.14359	3.4
153.12607	0.6
164.14198	1.1
176.14320	6.4
178.15901	1.3
180.10172	4.4
180.13641	1.3
182.11594	0.5
194.11583	0.6
198.11151	1.8
198.14764	0.6
206.19044	3.9
208.13187	0.7
222.14902	2.3
223.15694	0.5
224.20068	0.8
250.17981	1.3
252.19576	100.0
253.19913	4.2
254.21098	0.7
278.20889	0.9
296.15543	4.6
296.22308	81.1
297.12820	0.8
297.22638	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57531	0.6
56.96557	1.8
58.46521	0.5
67.67016	0.5
69.87415	0.5
70.19051	1.6
75.65477	0.6
81.07063	1.0
85.02927	1.1
87.04489	0.7
89.06084	0.6
98.97576	12.6
99.08076	0.6
104.19360	0.6
111.86440	0.5
116.98624	7.1
119.65092	0.6
121.02886	1.6
121.06463	0.6
122.82178	0.6
134.99663	3.8
136.07620	0.6
137.19408	0.6
140.62483	0.6
145.83824	0.5
147.04359	0.6
153.01860	1.5
167.08145	1.5
188.05347	0.9
208.96037	0.7
216.04654	3.9
232.96362	1.6
234.05936	0.8
236.12973	1.0
250.89490	0.7
251.08856	3.0
251.13831	1.6
253.16255	0.6
256.96500	1.8
265.06790	2.2
274.97485	13.8
279.13135	0.8
280.06412	2.3
292.98517	7.6
297.09448	100.0
297.14633	2.6
297.18369	1.6
298.06912	2.9
298.09918	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.9
69.25198	1.8
69.25589	1.4
74.14217	0.6
97.63158	0.8
98.97581	6.2
116.98615	2.9
121.02837	1.2
135.04401	1.0
138.81592	0.8
153.01900	0.8
165.86412	0.8
180.08881	0.7
216.78075	0.8
253.10454	100.0
254.10776	3.5
274.97342	4.2
292.98483	2.5
297.09409	72.8
297.13046	75.8
298.09781	3.4
298.13599	2.6
298.20175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73130	1.3
53.03950	1.6
55.01869	1.4
55.05508	2.8
57.03443	3.7
59.53345	1.1
67.05510	13.8
69.03432	14.6
69.07069	2.8
69.26513	1.3
69.36704	4.6
69.37115	2.2
71.05001	1.7
73.02927	1.8
74.23744	1.3
79.05502	5.4
80.28085	1.2
81.03415	6.0
81.07061	7.1
83.04965	2.1
85.02914	8.8
86.96173	1.2
91.05490	7.5
93.07048	35.0
95.04968	3.6
95.08605	7.5
97.02898	4.3
97.06598	1.2
98.97571	7.0
99.04470	5.1
103.04003	1.6
103.25005	1.2
105.07051	5.8
107.04961	2.1
107.08591	29.1
109.02895	2.3
109.06541	1.7
109.10158	100.0
110.10500	1.9
111.04373	1.9
116.98637	4.4
119.08601	5.7
121.10148	5.0
123.04408	1.6
123.11721	3.3
127.03943	4.7
129.07047	1.6
130.93306	1.4
131.08601	1.8
133.10054	3.0
134.99701	1.9
135.11693	37.3
145.05020	1.8
145.10138	2.0
147.11745	1.9
151.11110	2.5
153.12706	11.1
171.11664	1.6
177.12775	1.5
256.96707	1.6
261.14929	2.7
274.97549	5.9
279.16055	3.0
288.21573	1.2
292.98535	2.9
297.09280	1.7
297.16925	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	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73130	1.3
53.03950	1.6
55.01869	1.4
55.05508	2.8
57.03443	3.7
59.53345	1.1
67.05510	13.8
69.03432	14.6
69.07069	2.8
69.26513	1.3
69.36704	4.6
69.37115	2.2
71.05001	1.7
73.02927	1.8
74.23744	1.3
79.05502	5.4
80.28085	1.2
81.03415	6.0
81.07061	7.1
83.04965	2.1
85.02914	8.8
86.96173	1.2
91.05490	7.5
93.07048	35.0
95.04968	3.6
95.08605	7.5
97.02898	4.3
97.06598	1.2
98.97571	7.0
99.04470	5.1
103.04003	1.6
103.25005	1.2
105.07051	5.8
107.04961	2.1
107.08591	29.1
109.02895	2.3
109.06541	1.7
109.10158	100.0
110.10500	1.9
111.04373	1.9
116.98637	4.4
119.08601	5.7
121.10148	5.0
123.04408	1.6
123.11721	3.3
127.03943	4.7
129.07047	1.6
130.93306	1.4
131.08601	1.8
133.10054	3.0
134.99701	1.9
135.11693	37.3
145.05020	1.8
145.10138	2.0
147.11745	1.9
151.11110	2.5
153.12706	11.1
171.11664	1.6
177.12775	1.5
256.96707	1.6
261.14929	2.7
274.97549	5.9
279.16055	3.0
288.21573	1.2
292.98535	2.9
297.09280	1.7
297.16925	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	297.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.3
53.03930	0.4
55.05504	2.4
56.96554	0.6
57.03433	0.5
57.07075	2.0
58.95311	0.3
59.04994	1.1
67.05505	5.1
69.03428	6.7
69.07064	100.0
70.05478	0.6
70.05837	0.7
70.07404	1.3
71.01353	0.6
71.04984	2.9
79.05486	1.2
81.07053	22.1
82.07375	0.4
83.04978	11.9
85.02898	4.5
87.04469	0.4
91.05470	0.6
93.07047	1.3
95.04979	1.5
95.08599	4.7
98.97579	5.5
105.07040	0.8
107.08575	2.0
109.06519	3.4
109.10143	4.2
111.03753	0.5
111.04441	4.9
116.98630	3.5
119.08552	0.4
121.06499	0.9
121.10110	0.8
123.08073	1.1
123.11704	32.0
124.12036	0.8
129.05489	0.4
131.07082	0.4
133.10120	0.7
134.99648	1.4
135.04425	0.6
145.68121	0.3
150.12689	0.4
151.11172	53.0
152.11470	1.7
158.01289	0.3
237.14780	0.4
253.19946	2.1
256.96301	0.7
274.97476	5.0
292.98544	2.5
297.13232	0.9
297.16946	17.9
297.22443	1.8
298.17300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2788
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
54.71824	0.6
55.05257	1.1
55.05508	15.3
56.95598	0.7
56.96562	2.8
56.99786	0.7
57.03452	0.7
57.07077	7.3
59.04998	4.3
66.15314	0.7
67.05501	7.6
69.03452	1.2
69.07064	100.0
70.07390	1.3
71.05001	0.9
71.08629	2.1
76.34785	0.6
79.05478	3.8
81.07053	25.0
83.08615	18.7
85.06544	3.5
85.10180	1.0
91.05475	1.4
93.07035	10.5
95.08600	23.9
97.06521	3.7
97.10175	5.5
98.97584	22.3
99.08086	3.3
105.07023	1.3
107.08597	9.8
109.10149	15.5
111.08091	2.9
111.11715	13.6
116.98618	13.9
119.08542	1.0
120.66013	0.8
121.10137	8.9
123.11714	8.2
125.09595	0.9
125.13253	1.5
127.11197	1.3
129.12770	1.2
134.99646	7.5
135.11717	4.4
137.13240	4.5
139.11177	8.6
140.00204	1.4
149.13271	7.6
151.14806	2.7
158.01144	0.8
163.14851	2.3
165.16299	0.9
167.14310	3.8
172.94370	1.5
177.16417	1.7
190.95384	0.9
191.18060	1.0
198.13992	0.7
205.19524	2.0
209.18990	2.2
232.96306	1.9
250.97375	0.8
256.96542	3.6
261.25760	2.4
274.97479	20.8
279.23947	1.2
279.26828	10.0
292.98557	12.7
297.16467	1.7
297.27875	50.8
297.99036	2.2
298.28223	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	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.8
59.01807	0.3
66.52408	0.4
70.94460	0.6
71.95242	0.4
74.72054	0.4
86.66224	0.4
89.54729	0.3
92.51472	0.4
98.97583	100.0
99.77368	0.4
99.97932	0.6
116.98621	35.9
117.98955	0.4
130.93289	0.9
134.99657	7.9
135.00603	0.7
140.00220	0.5
172.94388	4.9
190.95404	2.7
208.96387	0.8
214.95378	3.0
216.03210	0.4
232.96503	5.1
233.96939	0.4
250.97423	2.3
256.96436	15.5
274.97498	68.8
275.97855	2.1
292.98557	33.3
293.98807	1.1
297.98987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
56.96563	0.3
61.01154	5.6
69.03416	0.5
69.71751	0.3
69.72147	0.3
75.02704	2.4
81.03421	0.1
83.08615	0.3
85.02901	0.5
87.04454	0.2
94.04043	0.3
97.02896	1.6
98.22757	0.4
98.97585	2.9
101.09665	0.3
103.02179	0.5
116.98627	1.1
119.03545	0.6
134.99657	0.2
136.06187	100.0
137.04684	0.2
137.06644	1.3
145.03191	1.3
163.04256	1.6
172.94412	0.2
181.04967	0.2
183.34320	0.2
223.09319	0.2
232.96355	0.3
274.97446	2.3
292.98581	1.2
298.09692	5.1
299.10498	0.2
310.95819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05511	16.5
55.18399	0.6
57.03432	1.0
57.62663	0.5
59.04999	12.0
61.02914	1.0
69.03412	0.9
70.05966	1.1
73.06548	1.5
81.03414	0.9
83.04529	0.9
83.04981	10.1
83.47158	0.5
85.02904	4.8
91.05512	0.5
95.06114	0.7
97.02890	2.5
98.22720	0.7
98.97585	4.1
99.04467	1.3
101.06016	100.0
102.06361	1.3
109.02859	0.7
116.98623	2.1
119.07053	48.4
120.07456	0.5
127.03925	2.0
137.02325	6.4
137.03381	0.8
145.04956	1.7
152.05705	0.7
155.03409	0.6
167.03386	1.4
168.03761	1.8
175.03929	0.6
180.03749	1.0
184.03233	0.5
196.03250	0.5
206.05328	0.6
208.03203	0.6
220.03255	0.7
234.04865	0.6
239.11473	0.7
240.39711	0.4
250.04263	1.1
250.97281	0.7
262.04285	1.1
268.05508	0.7
274.97467	4.1
280.05612	1.0
292.08658	0.5
292.98523	1.4
298.06647	1.1
298.17514	0.5
299.07486	2.5
299.10706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.05513	17.1
57.03431	1.0
57.10563	0.4
59.05005	6.4
61.02922	0.6
66.05021	0.3
69.03416	1.0
70.35541	0.8
71.04995	0.6
72.67879	0.4
73.06550	1.5
81.03423	1.4
81.48060	0.4
83.04479	0.5
83.04983	9.2
85.02901	4.9
90.69865	0.4
95.06096	0.7
97.02896	2.5
98.97582	4.7
99.04459	1.5
101.06021	100.0
102.06359	0.9
111.04464	0.5
116.98653	2.1
119.07059	38.2
120.07374	0.8
127.03909	3.3
130.45822	0.4
134.99608	0.4
136.68457	0.4
137.02345	14.3
145.04970	0.8
152.05696	1.1
155.03452	0.9
165.08829	0.4
166.07248	2.7
209.08031	0.5
239.09224	0.6
256.96567	0.5
274.97382	4.1
292.98410	2.6
298.17166	0.7
299.07526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2014
Annotation	Heleurine
Peak:m/z	Relative Intensity
55.05498	1.7
56.05031	0.8
56.16779	0.6
57.03432	0.9
67.05495	3.4
68.05003	0.9
69.07056	3.4
69.42718	2.5
74.02444	1.6
74.06059	1.9
79.05489	3.1
81.07059	6.2
82.06560	1.0
83.08617	1.9
84.04489	1.8
86.02406	1.2
86.06083	1.1
88.03978	2.0
91.05473	1.5
93.07046	11.8
94.06555	2.8
95.08610	5.9
96.08101	1.0
98.97594	0.8
102.05535	2.5
105.07014	1.4
107.08582	6.5
108.08105	7.9
109.10130	2.2
110.09685	1.9
111.08043	0.8
114.05537	2.3
116.07081	0.7
116.70935	0.6
119.08544	0.9
121.10139	0.7
122.09669	5.1
123.11687	1.3
124.11192	0.7
125.06015	1.5
128.07022	0.8
130.04984	1.3
133.10123	1.9
135.11685	12.0
136.06146	0.7
136.11200	2.3
137.02364	1.1
137.13264	1.8
139.07526	2.5
150.12790	6.0
151.13565	3.4
153.12740	1.5
154.12206	1.2
156.10161	1.0
157.28902	0.7
164.14355	6.7
166.15897	3.2
168.10199	0.9
181.12187	1.8
182.08136	0.9
182.15387	1.0
192.13852	4.8
192.17490	3.3
200.12775	1.7
208.16902	1.3
210.14882	28.2
211.15140	0.8
212.16463	1.6
236.16458	1.1
243.76855	0.5
254.17505	100.0
255.17813	4.2
256.19034	5.0
274.97507	1.3
298.09698	2.0
298.20105	91.6
299.20465	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	298.2743
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
54.01799	0.6
55.05512	9.5
56.96563	1.2
57.07085	3.7
59.83854	0.8
62.06091	100.0
63.06417	0.6
63.29518	0.6
67.05503	6.7
69.07070	10.8
70.95872	0.8
71.08633	2.4
78.28182	0.7
79.05486	2.1
80.94873	0.8
81.07058	9.6
83.08610	7.5
83.09024	0.7
85.10194	1.6
93.07049	2.6
95.08609	7.8
96.92210	0.8
97.10177	5.9
98.97593	10.7
101.81857	0.6
107.08607	1.7
108.19402	0.7
109.10167	3.1
116.98631	5.8
121.10150	2.3
123.11727	1.7
134.99658	2.3
135.11699	1.9
136.06209	0.9
137.13220	0.9
149.13208	1.0
158.68735	0.6
164.92072	0.7
209.88541	1.0
232.96234	1.3
237.22200	1.2
245.22652	1.5
251.89479	1.3
252.96425	0.9
256.96411	0.9
263.23624	1.2
274.91095	1.5
274.97455	11.3
275.90231	0.7
280.23523	0.8
280.26297	3.4
281.24728	9.5
287.05609	0.7
292.98502	5.7
297.98929	1.8
298.27417	27.9
298.30817	1.6
298.34656	1.6
316.00052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75307	2.4
51.52362	2.2
55.01857	2.9
55.64063	1.9
56.96566	4.4
58.05034	1.8
67.08749	1.7
69.03434	9.4
69.93998	4.5
73.02917	5.0
81.03419	11.1
85.02892	3.7
95.84147	2.0
97.02888	7.4
98.22774	2.3
98.97591	17.0
99.04485	10.3
99.97927	4.2
107.04964	3.0
109.02907	7.5
111.04445	4.9
116.98643	12.7
127.03914	24.3
128.02783	2.2
134.99660	4.2
137.02348	100.0
137.03427	6.4
139.49461	2.1
145.04916	3.8
151.03917	2.6
155.03418	6.3
161.02255	2.3
161.06146	2.4
163.03850	2.3
175.03938	7.0
177.87949	1.9
179.03400	7.1
187.04070	2.4
191.03403	7.5
203.03670	2.2
217.04980	4.0
221.04407	4.1
233.04396	2.8
258.99866	4.3
274.97510	4.1
275.97760	12.3
277.00732	5.0
293.98709	4.1
299.05334	6.2
299.07996	3.6
299.10965	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	299.053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28710	2.1
55.01888	2.8
56.96569	6.4
57.03433	2.7
57.11792	2.1
68.08482	2.0
69.03439	5.6
70.18504	5.9
71.04993	2.8
80.51905	2.6
81.03419	9.7
85.02898	6.0
91.84449	2.1
97.02894	11.3
98.97599	18.2
99.04440	15.9
101.06006	2.8
103.03973	3.7
107.04955	2.8
109.02888	11.9
111.04445	4.5
116.98624	16.2
117.98982	4.2
127.03931	23.7
134.99681	4.1
137.02348	100.0
137.03366	4.6
138.02675	3.9
145.04968	2.8
147.04459	3.6
151.03929	4.1
155.03398	8.6
167.03421	3.8
175.03909	8.9
179.03387	5.0
191.03392	7.4
203.03407	6.1
221.04424	12.7
233.04430	5.2
245.04520	3.7
258.99692	4.8
274.97559	6.9
275.97827	15.0
276.97159	3.9
277.00848	5.3
293.98938	6.7
299.05383	9.9
299.08060	4.1
299.10992	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	299.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84678	1.2
67.05506	2.0
68.99796	2.0
69.03447	3.5
70.06585	2.2
71.44195	1.5
79.05502	1.3
81.03405	5.2
81.07066	2.9
85.02920	3.5
85.06499	1.4
91.05503	2.5
95.04967	2.2
98.97591	3.0
99.04455	1.4
105.07032	2.4
107.04940	2.5
109.02866	2.0
111.04446	2.9
115.05544	1.7
119.04940	2.2
119.08557	2.2
120.76725	1.4
127.00024	3.2
127.03996	1.8
133.10162	2.5
136.06146	3.0
137.02342	32.2
137.03348	1.9
137.05904	2.8
137.09595	1.8
138.09087	1.5
141.06984	2.4
145.02779	1.5
147.04466	2.0
151.07281	3.7
155.03438	2.7
156.10211	5.0
161.09645	3.0
169.06398	1.6
173.05940	1.3
185.05986	1.5
189.05719	1.4
189.09103	1.5
195.06305	14.1
197.06012	2.5
201.05484	4.7
206.61673	1.6
207.10187	2.4
213.05521	1.9
213.07336	6.9
215.03445	2.1
229.04950	1.5
245.04478	1.6
253.05000	1.6
255.08363	11.4
257.04510	1.7
257.09198	3.7
267.08386	5.2
271.06094	4.7
271.10818	2.6
281.06546	3.3
281.09598	2.4
299.07590	100.0
299.10513	6.8
299.14554	4.0
300.07791	4.0
300.18033	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	299.0762
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
55.01865	6.0
55.98532	1.7
56.96564	2.3
57.03415	5.4
61.02929	14.1
68.99783	5.1
69.03435	8.0
71.01343	1.7
72.97025	1.6
73.02916	3.7
76.79850	1.7
79.05476	2.7
81.07043	3.0
85.02901	18.4
87.04471	3.5
91.05463	10.1
93.03353	2.1
95.04942	3.2
97.02939	3.6
98.97573	7.2
99.97935	1.9
103.03942	29.0
103.05422	3.6
105.03365	2.8
105.07009	3.8
107.04253	2.8
107.04952	40.9
109.02845	3.3
111.04453	3.4
115.05442	4.1
116.98560	3.4
119.04948	11.7
121.02887	4.1
121.06521	4.0
123.04432	5.3
127.03978	2.1
131.04887	7.0
133.02805	6.9
133.06430	4.5
135.04425	22.5
137.02359	10.0
137.05991	2.1
145.03940	6.7
147.04417	32.0
148.06371	2.0
149.02333	3.7
149.05971	8.7
151.03908	20.3
155.04880	4.2
157.07581	2.9
159.04387	5.0
161.02351	15.2
161.05931	9.9
163.03883	10.1
165.01830	21.7
165.05481	4.0
167.03380	32.5
167.06990	2.3
171.04430	3.0
175.03903	72.4
175.05406	4.1
176.04314	2.4
177.01814	3.8
177.05481	5.0
179.03389	54.4
179.06845	2.6
180.03857	1.8
181.01349	2.9
184.08664	2.2
187.03894	7.3
189.05469	8.5
191.03391	89.8
193.01321	6.9
193.04906	7.5
195.02908	4.6
195.06026	1.8
199.03850	5.1
201.05414	4.1
203.01570	3.3
203.03380	46.6
203.05281	2.3
205.04913	6.3
207.02843	3.9
215.03355	7.1
217.04979	21.8
219.02907	5.5
221.04448	75.1
222.04843	3.4
227.03313	5.5
233.04456	32.6
245.04477	17.8
251.05473	9.5
263.05530	15.1
271.02600	2.8
274.97372	2.0
275.97800	5.2
281.06561	11.0
281.09564	2.6
282.08804	3.5
293.98746	2.5
299.01968	5.3
299.07462	19.4
299.10950	100.0
300.08054	3.0
300.11255	2.6
300.17914	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	299.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	6.1
68.02617	1.8
69.03409	3.0
69.07064	3.5
71.04980	2.8
71.44741	2.0
79.05493	5.7
81.03423	4.8
81.07052	4.0
83.04968	4.8
83.08598	2.1
85.02916	3.5
91.05478	10.2
93.07050	6.2
95.04954	3.8
95.08619	2.2
97.02917	3.0
98.97602	6.9
99.04449	4.6
105.07064	3.8
107.04950	3.4
109.02866	2.9
110.27942	2.0
111.04438	8.8
116.98577	3.2
117.07049	4.2
118.49779	1.8
119.08563	5.1
121.06524	2.9
127.03901	26.5
131.08553	6.1
137.02335	34.5
137.03384	3.6
139.03922	16.9
143.03398	2.4
147.08025	6.5
151.11101	2.7
151.95631	2.0
155.03391	69.5
159.07991	2.5
161.05943	2.8
163.11224	5.7
165.05466	4.3
169.98421	2.0
175.07538	3.0
179.07126	3.0
179.10699	2.5
179.95166	1.9
189.09125	2.1
191.10674	8.8
193.08643	2.2
207.10110	7.2
221.08112	5.7
225.11200	4.1
235.09683	7.9
235.13181	2.2
249.07355	6.6
253.10693	49.4
255.11034	2.5
263.12781	3.2
267.08374	64.9
271.11780	7.8
275.97778	3.0
281.06686	3.7
281.09952	9.4
299.05475	7.2
299.11002	100.0
300.11362	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	299.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
69.03429	0.5
70.06582	1.2
71.71237	0.3
72.08165	0.4
81.03421	0.4
86.09722	0.4
88.30893	0.3
96.04499	0.4
98.97562	0.6
116.07121	0.4
116.98608	1.1
127.03930	0.6
137.02361	3.0
137.05965	0.3
138.09154	0.3
151.03937	0.4
160.40228	0.3
253.83679	0.3
255.08423	0.5
271.18539	0.4
275.97638	0.7
281.09998	0.5
299.10995	100.0
300.08548	0.4
300.11401	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
69.03429	0.5
70.06582	1.2
71.71237	0.3
72.08165	0.4
81.03421	0.4
86.09722	0.4
88.30893	0.3
96.04499	0.4
98.97562	0.6
116.07121	0.4
116.98608	1.1
127.03930	0.6
137.02361	3.0
137.05965	0.3
138.09154	0.3
151.03937	0.4
160.40228	0.3
253.83679	0.3
255.08423	0.5
271.18539	0.4
275.97638	0.7
281.09998	0.5
299.10995	100.0
300.08548	0.4
300.11401	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87815	6.6
55.01903	8.6
55.05523	6.8
57.03425	15.4
59.29352	7.0
65.55258	6.7
67.05515	18.2
69.07065	11.3
70.33927	12.1
71.04996	100.0
72.83935	5.8
74.75111	7.2
79.05513	11.1
81.03432	16.8
81.07050	20.4
82.90901	6.0
83.04967	6.6
85.02914	72.8
86.06017	6.7
87.04481	10.6
87.09283	6.1
89.06010	7.8
91.05476	12.8
93.07025	6.6
95.03068	7.1
95.08625	17.4
98.97589	7.6
105.03390	6.9
107.04897	9.2
111.04497	6.9
116.98602	8.3
121.02869	15.5
127.03886	12.3
129.05518	22.7
133.10158	8.3
137.02347	70.9
139.03918	24.7
151.99533	7.0
153.05545	12.9
202.14244	6.8
267.08478	26.2
275.97971	8.5
299.10922	47.2
299.14594	20.2
299.20230	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	299.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	18.5
65.74288	6.1
67.05497	6.7
69.96915	10.2
81.07080	9.4
93.07010	7.6
95.08602	11.1
98.23376	8.0
98.97588	20.2
104.10770	7.4
123.08011	6.5
129.72977	6.3
132.01135	11.6
136.51660	6.2
137.02306	7.0
139.00706	6.6
159.04761	13.2
185.04828	15.9
202.09019	21.7
203.05890	13.0
249.08383	5.6
259.07367	5.3
267.09061	89.3
275.97766	8.3
285.10077	100.0
290.10449	6.3
293.98978	8.4
299.12347	93.1
299.20096	12.2
303.11285	6.2
304.36429	7.1
317.12704	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	299.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89834	0.5
59.75801	0.5
63.23246	0.5
67.05511	0.6
69.70309	0.9
69.70697	1.6
71.04961	0.5
79.05469	0.8
81.07059	0.8
84.18472	0.6
86.48898	0.6
91.05465	0.9
93.07042	0.8
95.01080	1.1
95.08609	1.2
98.37032	0.5
98.97579	2.5
99.97931	0.7
104.10738	3.6
105.07015	0.7
107.08551	0.6
116.98611	1.9
134.99719	0.9
140.86720	0.6
144.08179	0.5
146.06027	1.7
159.11754	0.6
161.09544	0.7
173.49892	0.5
185.13280	0.6
188.07080	1.3
195.09929	100.0
196.10313	2.7
253.13449	1.6
274.97305	0.7
275.97818	2.4
281.13553	2.8
288.17416	0.5
293.98965	1.2
299.14691	16.9
300.19931	1.0
300.25482	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
56.96556	1.4
57.07080	17.4
67.05505	3.5
69.07065	3.6
71.08639	10.5
71.43007	1.4
72.08159	100.0
76.97765	1.1
78.48755	0.9
79.05480	1.1
81.07049	7.3
83.08633	2.5
85.10189	6.5
89.06019	1.1
89.10796	3.2
89.68713	1.0
95.08611	10.9
97.10150	2.4
98.97580	8.4
99.97994	1.4
104.65390	1.1
109.10124	5.1
111.11765	1.8
116.98623	5.6
132.10172	1.0
134.99654	2.7
160.61301	1.1
189.22963	1.0
211.20554	6.2
228.23219	4.0
252.96484	2.0
258.99991	1.4
274.97501	2.1
275.97891	4.5
282.27930	73.6
283.28256	6.3
293.98914	2.5
299.30585	91.9
300.31436	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	300.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42122	0.6
56.96567	5.5
71.01312	1.1
87.52514	0.6
98.23204	1.0
98.97584	100.0
99.97962	0.7
103.45132	0.7
110.31119	0.7
116.98624	37.8
134.99640	6.6
143.51825	0.7
179.00760	0.8
192.94749	0.9
210.95894	0.9
216.98749	1.2
219.02074	1.8
234.95959	2.0
234.99898	1.2
240.98593	4.9
252.97041	1.5
254.42488	0.8
257.96756	1.2
258.99768	59.5
259.99985	3.2
263.02811	1.1
275.97791	1.6
276.97342	3.9
277.00806	64.3
278.01093	3.0
282.01587	0.7
283.00037	2.5
294.98056	1.8
299.97913	2.9
300.10037	0.8
301.01099	2.1
317.99039	3.5
318.02219	0.7
318.98639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97081	0.7
56.96565	6.6
59.81494	0.6
65.61306	0.7
66.47469	0.6
68.58600	0.9
70.06579	0.8
70.55054	1.5
70.87200	0.8
71.95256	1.2
85.02885	1.2
98.97585	100.0
99.97921	1.3
100.97165	0.9
112.00554	0.8
116.98626	46.6
120.08092	2.1
121.06500	2.6
134.99669	11.1
137.02312	0.8
138.09155	7.7
153.00642	1.0
177.00920	1.2
178.00934	1.0
192.94960	0.9
193.03117	1.1
204.02629	2.5
210.95886	1.1
216.98695	1.7
219.02051	1.6
220.02077	0.9
221.01755	1.0
233.03532	0.9
234.95877	2.2
240.98624	5.9
246.03691	1.0
250.01488	1.0
252.96928	2.4
258.99762	60.3
259.99911	3.5
263.02841	1.4
267.95609	1.1
275.99576	1.4
276.97241	7.1
277.00815	72.7
278.00818	3.5
282.13403	2.2
294.98178	3.3
295.01578	0.8
300.02432	0.9
300.10278	2.0
300.14200	1.0
301.02216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06506	0.6
69.47600	1.4
69.48012	2.2
79.05478	0.9
83.08623	1.0
85.02894	0.7
91.05482	6.1
100.11250	1.2
103.05442	0.8
115.05448	1.9
117.03368	2.1
117.07031	1.6
119.04948	18.5
125.18324	0.7
128.10701	0.7
130.04184	3.6
133.02875	1.7
133.06502	1.2
137.02328	1.6
138.02675	1.8
143.04916	1.6
145.02859	5.0
145.06471	7.1
147.04413	13.8
148.05107	0.8
149.05975	1.6
155.06056	0.8
156.13789	1.1
157.03960	3.2
158.03662	7.7
159.04237	0.9
160.05199	1.1
161.02322	1.9
161.05983	2.2
173.05986	19.9
175.03908	30.0
176.04700	6.1
177.05469	5.2
186.03084	3.5
187.03668	0.8
191.07068	1.1
191.38507	0.8
193.04961	2.5
194.05780	1.0
195.06500	1.9
201.05467	100.0
202.05795	3.2
219.06523	81.9
220.06885	4.1
233.04477	1.0
237.07591	17.7
238.07967	1.1
265.07059	26.4
266.07355	1.0
271.51315	0.6
276.75568	0.7
283.08167	6.3
283.20160	1.2
300.21838	0.9
301.12579	0.9
324.07172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1807
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
52.30693	0.4
55.05509	0.5
68.05024	0.7
70.55202	0.3
71.32200	0.4
73.06554	0.6
76.93965	0.4
79.05470	0.5
80.05004	1.3
82.06585	0.5
83.07368	0.5
86.06069	1.8
89.06017	1.7
91.05449	0.7
93.07024	0.5
94.06534	0.6
95.04952	0.4
96.08129	2.6
98.97575	1.1
108.08125	2.4
109.08903	1.0
110.06033	1.1
110.09673	1.4
111.06816	1.3
119.04948	0.4
120.08102	9.2
121.08910	4.4
122.09672	10.7
123.04422	0.6
124.07572	2.0
126.09176	0.5
133.08618	0.5
136.06184	2.0
138.09140	3.3
139.09915	13.5
142.59462	0.4
156.10197	44.4
157.10535	1.2
165.51657	0.4
173.05954	0.6
175.03899	0.7
193.04785	0.5
201.05510	1.7
210.14865	1.5
219.06502	2.0
237.07520	0.9
243.57776	0.4
256.15466	0.9
265.07074	0.8
268.08774	1.0
283.17407	1.0
300.18042	100.0
301.06952	0.6
301.14359	0.8
301.18347	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1807
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
53.03943	0.4
56.96570	0.4
59.50598	0.4
65.03944	0.4
67.04246	1.6
67.05499	1.1
68.05032	0.5
70.33994	0.8
73.06551	0.9
79.05486	0.7
80.05013	2.6
81.07066	0.7
82.06580	7.4
86.06086	1.0
89.06036	1.4
91.05489	0.7
93.05774	0.5
93.07030	0.8
94.06572	18.3
95.06818	0.4
95.07362	4.8
96.07535	0.6
96.08137	11.6
98.97577	2.1
103.05458	0.6
108.08100	5.0
109.06539	0.6
110.06058	1.3
112.07605	1.1
116.98642	1.3
118.06551	0.4
120.08107	21.2
121.02887	1.1
131.46432	0.3
134.99651	0.5
138.09143	65.6
139.03911	0.8
139.09955	9.0
146.05829	0.4
156.10204	37.7
157.10532	0.7
180.16058	0.4
210.14841	0.5
227.05969	0.7
229.03728	0.6
229.07295	0.4
237.04391	1.4
255.05481	1.9
256.15326	0.6
258.99844	1.5
265.04041	0.4
276.97614	0.6
277.00885	1.3
282.16992	0.6
283.05130	1.3
283.17551	0.7
294.98294	0.6
300.11200	3.5
300.18057	100.0
301.06287	1.5
301.12085	0.7
301.14398	0.6
301.18292	4.9
319.07245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	9.8
57.96822	8.0
67.05524	9.4
69.28188	36.8
85.02905	16.7
89.85669	6.9
95.04962	22.1
97.02907	8.9
99.77094	6.3
102.72685	6.5
109.02840	8.1
121.02889	10.8
124.06307	13.4
139.03902	26.2
139.08646	37.9
139.09634	7.6
140.07063	31.2
146.13747	6.3
182.08147	12.6
189.65038	7.3
211.02914	8.1
226.89171	7.1
227.05878	18.5
229.03810	19.6
237.04364	49.1
245.07016	17.0
247.04974	7.1
255.05466	58.3
265.03912	13.4
280.44263	6.6
283.05472	75.0
298.94580	7.4
301.06616	100.0
301.11880	23.0
301.14545	8.9
301.18243	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	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.7
61.52055	0.4
70.07944	0.4
71.02437	0.5
84.96015	0.5
85.02895	0.4
88.58590	0.5
89.71489	0.4
98.97573	1.0
121.02872	1.2
139.03868	0.9
139.08681	0.4
151.84116	0.4
169.01715	0.7
183.03288	1.5
193.01666	0.5
193.05444	0.4
198.72301	0.4
199.02838	0.7
201.04370	1.6
211.02805	1.9
211.06448	0.5
219.03278	1.0
229.03839	9.6
237.04393	4.0
239.05904	1.1
247.04926	3.9
255.05432	7.1
265.03848	0.5
273.06439	1.7
283.04846	3.6
301.06021	13.2
301.12549	100.0
302.06128	0.5
302.12918	3.3
319.06961	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	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18869	0.7
56.96559	1.3
70.15201	1.3
74.86345	0.8
82.89030	0.9
85.02872	1.3
89.57939	0.8
95.04931	2.0
98.23436	1.1
98.97594	4.5
105.85623	1.0
116.98587	2.9
120.97842	0.8
121.02826	1.5
121.07606	1.2
128.76674	0.9
134.03413	0.8
134.99640	1.8
137.02188	0.8
139.03932	5.2
139.07281	1.0
140.03363	1.5
147.04361	1.2
149.07097	1.9
169.96681	0.8
227.05992	1.0
229.03845	1.2
237.04297	1.4
255.05386	1.6
258.99713	2.0
259.99701	1.0
277.00729	1.7
278.00787	1.4
278.96600	1.3
301.12469	100.0
302.12772	3.6
302.16107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	0.5
69.91512	1.0
70.06594	1.8
71.04994	0.4
72.08153	1.7
79.05492	0.3
81.03387	0.4
84.04501	0.3
84.08144	0.4
85.02929	0.7
89.06034	3.0
90.06365	1.3
91.05486	0.8
91.42047	0.3
93.07023	0.4
95.04980	0.7
97.02887	0.5
98.09671	0.5
98.22831	0.5
98.97585	0.9
105.06999	0.5
116.98634	0.5
121.06512	0.7
133.06471	0.4
133.08595	0.9
134.08960	0.8
138.05424	0.3
139.08650	0.6
140.07072	0.5
149.05983	1.2
167.07022	0.6
176.57123	0.3
177.05463	0.7
178.11586	0.5
203.07086	0.3
205.04869	0.4
240.19568	1.2
243.39008	0.3
245.08037	0.4
273.07617	0.5
280.01300	0.3
283.05997	0.9
283.20618	0.4
284.17798	2.7
301.06976	4.9
301.12552	100.0
302.07474	0.4
302.12888	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	301.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53651	0.4
54.03456	0.9
54.91148	0.4
55.01867	0.7
55.05506	2.9
56.05038	4.5
57.03421	1.2
57.07060	0.6
67.05502	5.7
68.05029	3.1
69.03435	0.6
69.07063	2.1
70.02956	0.6
70.06587	8.2
70.31042	0.4
71.05001	2.9
79.05475	2.7
80.05014	4.6
81.07055	6.5
83.04961	0.6
83.08602	1.5
84.08179	0.5
91.05482	3.6
93.07040	4.3
95.04968	1.0
95.08604	2.3
96.04491	2.0
97.02878	0.4
97.06527	1.8
97.10140	0.4
97.42155	0.4
98.06064	4.3
98.09679	0.4
98.97581	0.6
99.08082	0.5
100.03968	6.7
102.05544	7.4
104.10713	0.7
105.03391	0.8
105.07005	1.6
106.06538	0.7
107.08595	1.9
109.06521	0.8
109.10153	1.0
114.05521	6.3
115.05405	0.5
117.05743	0.5
117.07014	1.5
118.06531	3.4
119.08603	0.8
121.10143	1.7
122.09659	0.5
123.11679	0.7
124.03943	0.9
130.06519	12.3
131.08546	0.6
132.04475	0.5
132.08087	9.2
133.10109	1.7
134.06009	0.6
135.11697	1.0
142.05014	2.1
142.06451	0.5
143.07310	1.7
144.04305	0.4
144.08070	5.7
146.05995	6.2
146.09656	0.6
149.13246	1.7
155.07286	0.8
156.08092	2.1
156.10162	0.7
157.05313	0.5
157.08865	1.0
158.06012	6.3
158.09637	5.0
159.11624	2.6
160.07571	1.2
160.11182	3.9
167.07312	2.3
168.08078	3.5
169.07584	2.0
169.08855	1.1
170.05977	0.6
170.09654	1.4
171.06766	1.4
172.07545	2.5
172.11214	4.8
174.12770	1.3
177.12752	2.1
179.14252	0.6
180.08105	0.9
181.06480	0.6
181.08945	0.9
182.09621	1.3
183.06804	0.7
183.09210	1.1
184.07578	1.0
184.09978	0.3
184.11226	6.6
185.08392	1.0
185.10687	0.7
186.09151	7.8
186.12737	4.7
187.13275	0.5
188.07083	4.9
188.10672	5.1
193.08981	0.5
195.09200	2.0
195.13789	0.7
196.09836	1.2
196.11346	3.1
197.10767	0.7
198.12810	1.7
200.10722	3.6
202.12221	1.1
208.11214	1.0
210.12804	1.7
211.12193	0.5
212.10699	8.0
212.12625	0.7
212.14278	0.5
214.12280	7.8
221.11966	0.7
222.12788	1.4
226.06302	0.6
227.15411	1.7
228.13861	0.8
229.09731	1.6
229.13420	1.9
230.11688	0.7
231.11462	0.4
237.13776	0.9
238.12189	0.6
239.15396	2.7
255.11241	0.4
255.12100	0.6
255.14909	7.6
256.13278	0.7
257.16885	1.0
266.11783	3.2
269.17490	5.5
283.14410	2.6
301.15457	100.0
302.15747	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	301.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.96570	0.8
57.03429	0.8
59.04988	1.2
61.02918	4.2
62.44567	0.3
63.46970	0.4
69.10418	2.7
70.06583	0.5
71.04995	3.8
79.05492	1.7
81.07050	9.6
84.08128	0.8
84.62175	0.4
85.02888	1.0
86.09686	0.7
87.08092	0.7
91.05470	0.6
95.04971	1.0
95.06073	2.2
96.06868	28.8
97.07663	3.0
98.97601	1.3
107.04961	1.7
108.05296	1.4
114.84956	0.4
116.98623	1.2
117.07001	0.7
121.02841	0.8
125.07112	36.2
126.07437	0.6
127.03928	1.2
135.08061	0.4
137.02347	1.1
137.05962	0.4
139.02905	0.5
139.03899	2.4
139.07378	0.7
139.08627	0.5
140.03365	2.2
147.04463	0.6
147.08015	0.7
153.06596	1.2
163.07535	0.7
165.09100	0.6
171.07642	85.9
172.07976	1.8
203.05252	0.7
223.14368	1.0
236.79706	0.4
236.98524	0.5
255.05498	0.5
269.14941	51.3
270.12878	0.5
270.15179	2.6
271.08203	0.4
273.85876	0.4
301.12549	100.0
301.17551	77.9
302.12967	4.6
302.17932	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	301.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20119	1.1
53.03930	2.3
53.06036	1.1
55.01861	2.6
55.05308	1.2
55.05512	16.2
57.03432	22.4
57.07073	2.5
59.04982	2.4
64.84090	1.2
65.03945	2.2
67.05501	76.0
68.00858	1.2
68.05825	1.5
69.03436	1.9
69.07065	20.2
71.04990	43.8
78.92190	1.1
79.05487	38.9
81.03418	1.5
81.07053	96.6
83.04981	9.3
83.08607	17.9
85.06551	8.7
86.09686	2.5
87.04472	3.1
91.05474	44.6
93.07040	68.3
95.04977	9.4
95.08597	26.8
97.06526	15.7
97.10156	2.5
98.23456	4.0
98.97583	3.0
99.04440	1.4
99.08079	6.6
104.10758	2.4
105.04522	1.8
105.07020	23.6
107.08582	29.9
109.06510	5.6
109.10155	10.0
111.08096	8.7
115.93370	1.2
116.35034	1.2
116.98574	1.2
117.07022	16.4
119.08608	6.3
121.06448	2.2
121.10155	10.8
123.11702	7.6
126.01101	1.4
131.08551	19.8
133.10126	33.2
135.08049	2.8
135.11678	11.7
142.61427	1.1
145.10141	3.4
146.11798	2.1
147.11668	3.8
149.09631	1.5
149.13251	28.1
151.11188	12.6
157.10097	1.7
159.11685	54.9
160.12054	1.6
161.13223	9.1
169.12183	1.9
173.13251	1.9
177.12732	47.2
179.14317	9.8
183.13783	9.1
187.13269	8.7
190.05618	1.4
195.13792	14.2
201.14799	2.5
226.02594	1.3
251.16364	7.0
255.21004	1.6
257.17471	11.9
269.17471	100.0
270.17810	4.5
299.68671	1.3
301.10822	2.5
301.14163	2.9
301.19846	31.6
301.25732	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	302.0869
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
50.54096	0.1
50.90207	0.1
51.25063	0.1
53.00296	0.2
53.03943	0.3
55.01866	0.3
56.96561	0.5
57.03417	0.6
61.02920	1.3
69.03427	2.7
71.04975	0.4
72.13106	0.1
73.02912	0.5
78.03445	0.6
81.03424	1.2
81.04526	0.7
83.01334	0.2
85.02901	7.7
87.04456	0.5
91.03944	0.5
94.02917	0.3
97.02889	2.5
98.97562	1.4
99.04428	0.6
102.96877	0.5
109.02858	0.8
116.98622	0.9
119.71680	0.1
120.97916	0.4
122.02375	4.0
122.06023	0.4
122.07151	0.2
127.03914	1.4
131.72902	0.1
134.99661	0.4
138.98975	0.1
140.03416	100.0
140.08183	1.8
141.03767	2.1
145.04958	1.5
186.04399	0.2
204.05415	0.3
231.21417	0.1
236.95782	0.2
238.04742	0.2
256.06119	0.4
260.99606	0.2
261.03030	0.2
262.17410	0.1
278.96805	1.6
279.00470	0.5
296.97833	0.8
297.00781	0.2
302.08725	3.9
302.13388	1.3
302.16980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
54.89559	1.0
55.01863	3.4
57.03431	4.7
61.02919	4.1
67.05509	7.2
68.38883	1.3
69.03435	13.4
71.04967	1.2
73.02901	3.2
73.33571	1.1
77.03942	1.2
79.05492	6.1
81.03413	6.6
81.07059	6.9
85.02908	93.0
85.31271	1.3
86.27542	1.1
91.05462	1.6
94.06550	2.8
95.04961	5.8
96.04511	1.8
97.02897	45.3
97.06535	2.3
97.20417	1.4
99.04452	4.0
103.03941	4.7
108.08126	14.8
109.02880	13.6
112.07559	2.3
112.63446	1.1
119.18902	1.2
122.06024	6.8
125.05968	6.4
126.05537	6.3
126.09171	5.1
127.03924	21.9
136.07585	21.2
140.07063	44.0
145.04942	13.8
150.09148	5.1
152.07074	18.8
154.08615	6.7
158.11746	4.7
163.06015	3.3
164.07074	22.6
164.93048	1.3
165.07271	1.2
178.08633	18.9
182.08136	100.0
183.08423	2.6
202.08644	2.0
206.06149	2.1
206.08119	43.4
207.08478	1.6
218.08087	5.3
220.09627	1.5
232.28519	1.1
236.09123	4.0
248.09189	11.6
302.11362	2.4
302.19760	4.2
303.04889	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.6
55.05515	3.2
56.05035	4.2
57.03434	6.0
61.02918	4.9
65.22774	2.8
67.05505	13.0
68.58828	2.9
69.03423	18.3
69.07064	5.3
70.06587	5.7
70.17136	2.6
70.72327	3.1
71.04998	4.4
72.08161	9.5
73.02895	3.7
74.06071	4.2
79.05498	15.8
81.03413	9.0
81.07072	11.6
82.06586	3.0
84.08171	4.0
85.02403	6.3
85.02906	100.0
87.04465	5.1
88.26816	2.8
89.05192	2.9
91.02480	2.9
91.05489	6.8
93.07069	5.9
94.06572	3.3
95.04959	9.6
95.08604	3.7
97.02902	43.3
97.06540	6.2
99.04474	6.5
103.03938	5.6
105.07037	3.9
107.08573	3.8
108.08109	13.2
109.02878	12.3
112.01019	3.0
116.07092	3.4
119.08619	4.9
122.06026	7.3
123.04450	7.7
124.11280	3.2
125.06000	11.7
126.05515	7.3
127.03909	20.5
134.06007	11.5
135.08046	6.6
136.07608	16.5
137.05998	7.0
137.09590	3.6
140.03442	5.7
140.07053	43.8
143.11780	3.9
145.04970	20.8
149.05995	11.2
150.06357	8.7
150.09180	6.2
152.07069	20.9
154.08691	4.4
158.11774	20.3
161.05977	75.3
162.05481	4.2
163.06075	4.3
164.07103	18.6
166.07269	3.1
171.10139	3.2
175.07585	5.8
177.05556	4.0
178.05833	10.7
178.08630	13.1
179.07042	15.9
182.08134	85.9
199.09747	4.2
201.05495	3.2
201.33131	3.3
203.07018	11.0
206.08150	39.9
221.08109	52.2
248.09225	8.3
258.16956	14.4
267.08600	9.5
278.96872	7.5
284.18570	4.9
285.09607	3.7
285.12473	4.4
302.10904	6.7
302.19635	36.1
302.23114	6.8
303.05020	8.3
303.13998	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55793	0.6
55.01868	1.2
57.03426	2.3
61.02914	2.5
65.03938	2.1
67.05507	31.0
68.05818	0.7
69.03069	0.9
69.03433	14.2
69.07072	7.1
69.83637	1.7
71.04971	0.6
73.02919	1.5
73.62199	0.6
74.75224	0.7
81.03423	5.4
81.51254	0.6
84.08141	1.2
85.02907	37.0
86.02419	0.9
91.05515	0.6
94.06567	1.3
95.04970	46.8
96.05330	1.1
97.02897	30.1
98.70286	0.6
99.04449	1.2
103.03951	2.9
109.02879	8.4
112.07604	36.9
113.06015	4.0
122.06042	2.0
123.04445	0.9
124.07576	1.4
127.03930	6.4
136.07578	2.2
140.07065	100.0
141.07426	2.1
145.04980	2.7
150.09132	1.0
154.08606	5.7
156.02690	1.6
178.08621	1.9
179.56511	0.6
182.08138	58.4
183.08470	1.9
204.87181	0.7
206.08119	10.3
218.08160	1.2
220.09692	0.6
236.09207	2.1
248.09193	8.2
266.10144	0.8
284.11316	1.1
302.06525	1.0
302.12692	5.5
303.13925	2.1
315.58481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15650	0.4
53.03939	1.2
54.20374	0.4
55.01866	2.5
55.05500	0.9
57.03435	4.8
58.99839	0.4
59.05024	0.4
61.02927	8.1
67.05511	0.8
69.03430	15.1
69.07058	0.7
69.45908	1.2
69.46310	1.1
70.03764	0.6
70.06590	0.5
71.01354	0.6
71.04984	2.3
73.02918	3.8
75.19190	0.4
79.05473	0.7
81.03416	6.2
81.07067	0.7
82.86139	0.5
83.01353	0.6
85.02902	100.0
86.03233	1.7
86.09706	2.9
87.04483	2.1
91.03951	6.8
91.05476	4.2
96.04499	1.2
97.02893	20.7
98.03213	0.8
99.04460	3.8
101.02383	0.6
103.03934	1.1
105.07027	7.7
107.08578	0.8
109.02884	9.2
111.04432	0.6
115.03925	1.3
117.07001	0.9
118.06556	1.3
119.08537	0.5
119.12795	0.4
127.03914	23.9
128.03435	0.6
128.06224	1.2
128.07080	1.1
129.07013	1.5
130.06526	1.0
130.08603	1.0
131.08548	0.5
132.08122	1.5
140.10715	0.7
141.11095	0.4
143.08557	1.9
143.11835	1.3
144.08070	1.0
145.04956	47.7
146.06139	2.9
147.08043	1.1
153.06976	0.5
156.06557	2.0
162.07591	0.5
163.06009	16.7
164.06390	0.5
166.39726	0.4
170.06027	0.5
171.08075	1.2
180.08643	2.2
181.06535	1.5
185.46095	0.4
188.07057	3.7
199.07523	2.2
202.07056	5.0
212.12816	0.9
212.16507	0.9
231.10193	1.3
242.11774	1.1
249.11069	0.6
258.17041	1.4
259.14474	3.7
270.00565	0.5
284.15271	0.6
285.13318	1.4
302.10892	0.6
302.15851	3.0
303.04971	3.1
303.13080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1963
Annotation	(-)-Floridinine
Peak:m/z	Relative Intensity
53.23940	0.4
60.62283	0.3
61.33751	0.3
70.06596	1.8
70.71793	0.3
73.06548	0.8
83.07363	4.4
84.07665	0.6
84.08138	4.1
85.02926	0.4
86.09688	0.4
89.32494	0.4
91.05470	0.6
92.79516	0.3
93.07029	0.5
95.08603	0.4
96.08121	0.6
97.08921	0.8
98.23334	0.4
100.07642	0.4
107.04932	0.5
109.08902	0.4
110.09666	2.5
122.09663	1.9
124.11232	8.6
139.03947	0.5
140.03418	0.7
140.10698	5.4
141.11484	7.8
157.13379	0.5
158.11760	100.0
159.12112	2.3
161.05965	0.5
208.53465	0.3
221.08031	0.5
252.15936	0.6
258.17029	1.2
284.18555	0.8
302.19604	88.0
303.05023	0.9
303.14401	0.7
303.19965	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	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.3
64.64500	0.2
79.47073	0.2
82.99869	0.4
84.62966	0.2
98.23156	0.3
98.97582	4.1
99.97886	0.3
101.00883	3.0
102.00966	0.4
102.96870	0.5
116.98606	2.0
119.01923	6.0
120.02004	0.7
134.99690	0.6
137.02957	0.7
140.98833	0.4
156.81416	0.2
158.99878	2.0
159.99977	0.4
165.99670	0.3
175.03101	0.5
177.00954	10.8
178.01054	3.3
179.00677	1.2
182.99937	0.8
199.03178	0.3
201.00920	2.7
202.01091	1.1
217.04108	2.4
218.04071	1.1
219.02008	20.1
220.02104	6.7
220.07236	0.2
221.01726	2.3
223.99904	0.3
225.00883	2.3
226.01019	1.1
236.99652	0.3
243.01988	11.4
244.02139	4.6
245.01813	1.0
256.96359	0.2
261.03046	100.0
262.03180	39.9
263.02878	8.2
278.97659	0.3
279.00638	2.0
279.96936	0.3
280.00974	0.8
283.00208	0.3
284.04648	1.2
284.96820	0.3
284.99893	2.4
285.04892	1.2
286.04456	0.7
298.97784	0.3
301.01132	0.4
301.06299	0.3
302.97543	0.4
303.00790	2.2
303.05563	8.1
304.00995	0.3
304.05591	2.4
320.98080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Viscidulin I
Peak:m/z	Relative Intensity
55.01871	0.5
55.05499	0.4
57.60656	0.2
61.56279	0.2
65.03916	0.4
67.01846	0.3
67.05487	0.7
68.99786	1.6
69.03406	0.4
69.07044	0.3
70.31146	0.2
70.95625	0.2
71.04970	0.2
72.08150	0.6
74.02431	0.8
79.05488	0.5
81.03411	1.0
81.07042	1.5
83.08588	0.3
84.04455	0.2
84.08134	1.3
85.02893	0.5
87.11418	0.2
91.05470	0.7
93.03392	0.8
93.07056	0.3
95.04971	0.9
95.08608	0.4
96.04480	0.5
105.06992	0.3
107.04924	0.3
109.02876	1.1
111.00795	1.3
111.04437	0.2
115.05433	0.5
117.05738	0.3
117.07010	0.5
118.06541	4.8
118.07366	0.2
119.08581	0.3
121.02859	1.9
121.43916	0.2
123.04436	0.7
127.03905	0.6
128.03430	0.5
128.06177	0.2
128.07072	0.9
130.05046	0.3
130.06531	4.9
130.08627	3.2
131.04935	0.3
132.08086	5.2
133.02893	0.2
135.04419	0.3
136.07596	0.3
137.02356	6.5
137.03485	0.6
137.05965	2.8
138.05452	0.3
142.06519	0.4
143.07355	0.5
144.08078	3.7
145.06537	0.5
145.07622	0.3
146.06006	14.2
147.33093	0.3
149.02347	0.9
149.06006	0.2
151.03922	0.4
153.01825	8.9
153.05420	0.4
154.02112	0.3
155.04900	1.0
155.06029	0.3
155.08553	0.2
156.06569	1.1
156.08022	0.3
157.06729	0.2
159.09146	0.5
161.06012	0.5
162.05492	0.8
163.03885	1.0
164.07143	0.4
165.01837	3.4
166.02458	0.4
168.08061	0.5
169.01393	0.4
170.06017	0.9
172.09662	0.6
173.05946	1.2
175.03905	0.2
177.05449	0.2
179.03371	0.4
182.09639	0.3
183.02873	1.6
183.04419	0.9
186.12811	1.3
187.03902	0.8
188.07062	14.0
191.07140	0.3
193.12207	0.5
195.02917	0.3
196.11252	1.1
201.05455	3.7
202.07144	2.0
203.07396	0.8
205.04922	0.4
212.12848	0.4
213.13284	0.4
215.15469	0.3
217.04846	0.3
219.06491	0.4
227.10551	1.3
228.04237	0.6
229.04959	8.6
230.05289	0.5
232.03615	0.3
239.03418	0.5
240.11343	0.8
242.11763	4.7
247.05978	1.2
256.10803	3.2
257.04419	5.2
259.14410	13.3
259.62799	0.3
260.14664	0.3
267.16034	0.3
268.10834	1.1
271.09546	0.4
274.04733	1.4
275.05405	0.3
285.03958	2.3
286.11835	3.3
302.16098	0.8
303.04968	100.0
303.16635	1.6
304.05197	4.4
304.07855	0.5
304.12891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03937	0.2
55.01868	0.4
57.03429	0.1
65.03937	0.4
67.01864	0.5
67.05502	0.7
68.99432	0.2
68.99791	2.2
69.03419	0.3
71.42773	0.1
72.08160	0.3
73.38046	0.1
74.02430	0.2
79.05486	0.4
81.03410	1.1
81.07058	0.6
83.08618	0.1
84.08140	0.5
86.70848	0.1
86.91430	0.1
91.05476	0.6
93.03401	0.8
93.07037	0.9
95.04967	1.0
95.08625	0.2
105.03403	0.3
105.07030	0.2
107.04956	0.4
107.08596	0.4
108.56401	0.1
109.02865	1.0
109.06520	0.1
110.03664	0.2
111.00799	2.1
111.04415	0.2
115.05465	0.2
117.06989	0.7
118.06533	1.4
118.83848	0.1
119.05017	0.1
121.02869	2.1
121.10136	0.1
122.06022	0.4
123.04434	0.8
127.03942	0.3
128.06261	0.1
129.06993	0.2
130.06523	2.0
130.08617	0.8
131.04941	0.4
132.08084	1.1
133.02843	0.2
135.04416	0.5
135.08029	0.7
136.07576	0.2
137.02347	7.5
137.03447	0.5
137.05968	0.8
138.02635	0.2
138.09166	0.2
139.03894	0.2
142.06508	0.2
143.07378	0.1
144.08075	1.5
145.02786	0.1
145.06519	0.6
146.06010	4.2
149.02318	0.9
149.06020	0.2
153.01825	10.3
153.09105	0.3
154.02171	0.2
155.04897	1.0
155.06020	0.2
157.06483	0.2
159.04349	0.2
159.09126	0.2
160.07585	0.2
161.05983	0.6
163.03935	1.3
163.07556	0.4
165.01836	3.9
166.02574	0.5
167.03381	0.1
168.08092	0.2
170.05984	0.4
173.02261	0.1
173.05963	1.4
175.80878	0.1
177.05511	0.3
179.03397	0.4
181.08586	0.5
182.09648	0.2
183.02872	1.3
183.04424	1.0
183.08009	0.1
186.12761	0.6
187.03896	0.7
188.07054	4.2
191.03398	0.4
191.06946	0.2
193.12231	0.3
195.02901	0.5
196.11240	0.4
199.09644	0.2
201.05469	4.0
202.05894	0.1
205.04945	0.5
207.02849	0.2
211.03891	0.4
213.05518	0.1
214.08749	0.1
215.03273	0.2
219.02838	0.3
219.06554	0.4
228.04134	0.6
229.04968	9.1
230.05394	0.3
239.03430	0.6
242.11766	1.7
245.04536	0.2
246.05354	0.2
247.05992	1.3
257.04453	5.1
257.12863	0.4
258.04831	0.3
259.14420	4.5
274.04810	1.2
275.05438	0.4
285.03934	2.2
285.12363	0.2
286.04523	0.3
303.04974	100.0
304.05325	5.1
304.08847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01864	0.3
64.77013	0.1
65.03945	0.6
67.01876	0.2
67.05496	0.3
68.99786	2.1
71.01355	0.1
74.48773	0.1
81.03412	0.7
85.43029	0.1
91.05485	0.1
93.03407	0.7
93.03908	0.1
95.04951	0.8
99.71540	0.1
105.03413	0.2
107.01249	0.1
107.04942	0.2
109.02879	0.9
110.03677	0.2
111.00797	1.9
117.07029	0.3
119.04904	0.1
120.53719	0.1
121.02858	2.0
123.04425	0.7
127.03139	0.1
127.03902	0.5
127.05436	0.1
131.04936	0.4
133.02852	0.1
133.06465	0.2
135.04372	0.5
137.02342	6.7
137.03459	0.4
137.06021	0.1
138.02695	0.2
143.04912	0.2
145.02849	0.1
145.06500	0.7
149.02322	0.7
149.05923	0.1
151.03937	0.1
153.01819	9.7
154.02194	0.1
155.04916	0.7
155.06027	0.2
157.06517	0.3
159.04388	0.3
160.05196	0.1
161.06000	0.7
163.03905	1.3
165.01834	3.7
166.02594	0.5
171.02908	0.1
173.02321	0.2
173.05975	1.3
174.06404	0.1
177.01898	0.2
177.05409	0.2
179.03380	0.4
183.02879	1.6
183.04434	0.8
184.05145	0.1
185.05859	0.1
187.03906	0.8
191.03384	0.3
191.07043	0.2
193.01187	0.1
194.02049	0.1
195.02802	0.4
201.05455	4.4
202.05748	0.2
205.04958	0.3
207.02869	0.2
208.89227	0.1
211.03862	0.4
211.53236	0.1
213.05531	0.2
215.03389	0.2
217.05142	0.1
219.02850	0.2
219.06490	0.6
228.04196	0.5
229.04945	9.1
230.05316	0.4
232.03558	0.2
239.03444	0.3
245.04518	0.2
247.06035	1.1
248.06117	0.1
257.04419	4.4
258.04816	0.2
274.04712	1.4
274.71112	0.1
275.05435	0.3
285.03891	1.9
286.04443	0.3
303.04962	100.0
304.05313	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	303.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	33.6
66.83862	0.7
71.04978	0.8
74.97614	1.5
78.62635	0.8
82.05490	0.7
83.97649	0.8
84.94074	0.6
91.20375	0.6
96.49610	0.7
98.97588	11.1
102.09187	1.5
103.97630	0.8
116.98617	8.2
126.83437	0.7
132.08110	4.2
134.99704	3.9
141.05409	0.7
141.10231	1.6
155.03319	1.1
156.01045	0.8
166.71063	0.7
167.62971	0.8
170.02740	1.0
174.02286	22.7
188.03830	5.4
192.03326	37.9
202.01746	1.0
204.03333	2.0
206.04889	14.0
207.02052	0.8
208.02802	1.3
210.04358	5.1
215.04929	20.2
216.03426	0.9
217.06487	16.3
220.02785	2.3
222.04314	3.8
224.05957	3.3
226.03883	0.8
229.02773	2.0
231.04480	1.0
233.06003	10.5
234.04378	1.2
235.07529	12.3
236.02267	1.0
238.03923	1.2
240.05380	0.9
243.04414	7.9
247.03925	2.6
249.05579	0.9
258.04453	2.8
261.05475	100.0
262.05911	4.1
276.05405	1.4
279.06528	62.7
280.06784	3.0
284.07077	3.0
286.03860	1.9
302.07971	0.8
303.07059	6.9
303.10416	4.7
303.13919	13.0
318.07458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39705	10.6
71.04983	21.1
72.43616	6.1
78.27148	6.6
80.59634	6.8
98.06038	9.4
98.22820	8.7
99.04439	9.3
116.07024	6.0
123.05627	8.6
138.82251	6.7
141.06560	38.3
206.07164	12.0
303.08307	100.0
303.15527	27.8
304.08060	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67171	10.7
59.77634	10.2
69.77229	20.4
69.77620	22.4
98.22803	16.5
98.97610	16.5
137.02417	14.6
141.05249	14.2
166.87915	9.4
303.08374	100.0
303.10913	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	Carpusin
Peak:m/z	Relative Intensity
58.81834	0.3
64.56782	0.4
65.03922	0.4
65.47674	0.4
66.39162	0.3
67.05508	0.6
68.99806	0.5
69.07101	0.4
69.51549	0.6
69.51959	1.0
76.57225	0.3
77.03944	0.4
79.05493	1.7
91.05476	1.1
95.04960	1.9
105.04515	0.7
107.04950	100.0
108.05270	3.0
111.04458	0.5
119.04924	0.5
121.02870	0.8
121.10098	0.4
123.04426	34.3
124.01566	0.6
124.04749	0.9
125.06002	0.5
135.04416	2.7
137.05934	0.4
141.05449	1.5
147.04308	0.3
152.01067	1.1
153.05472	0.4
163.03909	1.3
167.03395	21.1
168.03671	0.6
170.02116	0.5
181.04958	1.1
197.05956	0.4
199.07478	0.4
209.95789	0.3
213.05446	0.5
219.17403	0.4
224.30641	0.4
226.06213	1.0
229.08591	32.8
230.08905	1.3
241.05034	0.9
242.05702	6.9
256.07330	0.8
257.08069	40.8
258.08466	2.1
285.07559	11.8
286.07846	0.6
303.05060	1.6
303.08572	10.5
303.13766	0.5
304.08768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	0.4
59.51286	0.4
60.48398	0.4
63.34372	0.5
67.05482	0.4
67.56310	0.4
71.09446	0.5
72.08127	0.4
76.78985	0.4
82.06586	0.5
85.02895	0.8
102.70607	0.4
111.05613	0.4
122.33509	0.4
124.07604	0.7
127.03880	0.5
131.67162	0.4
132.32143	0.4
137.02348	2.1
140.03383	0.9
141.03696	0.5
141.05237	4.3
142.08618	0.6
151.38820	0.4
153.01875	0.6
175.33952	0.4
185.04187	1.7
203.05327	1.5
237.47630	0.5
243.65053	0.4
296.19547	0.4
303.10513	100.0
304.10843	4.4
321.10110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.107
Annotation	Isotachioside
Peak:m/z	Relative Intensity
53.03957	2.1
55.01876	2.5
57.03438	3.1
59.56972	1.6
61.02935	8.3
69.03432	16.6
70.06603	1.7
70.34991	3.7
73.02927	5.4
73.23695	1.6
81.03424	18.2
85.02904	52.9
86.03286	1.7
87.04478	2.9
91.03967	2.7
97.02892	10.5
98.22729	1.8
98.97617	4.0
99.04506	2.6
103.03951	8.9
109.02880	93.1
115.05453	2.9
119.04938	3.1
121.27840	1.7
122.06087	1.5
123.04489	1.7
127.03962	7.1
133.02884	7.4
135.04439	4.6
137.06030	3.4
140.03447	4.6
140.07101	1.8
141.03786	5.2
141.05455	66.4
145.04959	10.0
147.04427	10.4
153.05524	6.8
161.05963	4.0
162.03078	2.0
163.04012	3.0
165.05492	8.0
175.03995	3.9
177.05476	33.9
177.06924	2.3
178.05904	1.7
179.07114	6.1
185.04239	1.8
189.05580	6.2
192.04295	5.0
203.05339	12.9
203.06996	3.5
205.05017	3.3
207.06534	18.6
231.06660	5.3
249.07745	3.6
267.08765	4.0
303.10641	100.0
304.10919	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	303.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
53.81354	1.3
55.01862	1.9
55.71190	1.2
57.03437	3.7
61.02935	8.1
69.03426	12.4
69.18202	1.3
73.02916	4.0
81.03414	13.7
85.02905	46.4
85.23114	1.4
87.04497	2.6
91.03975	3.8
97.02901	12.0
98.97600	1.7
99.04424	2.0
103.03928	9.7
109.02877	90.7
110.03216	2.6
115.05453	1.5
119.05005	5.3
123.04472	2.1
123.06345	1.3
127.03922	7.7
133.02867	8.1
133.06514	1.6
137.06006	4.3
139.03935	1.4
140.03464	4.8
141.03766	4.8
141.05460	63.1
142.05804	1.8
145.04922	7.8
147.04419	11.2
153.05435	8.1
161.06024	4.2
163.03951	2.2
165.05450	7.2
175.03961	1.5
177.05479	33.2
177.06970	1.9
178.05923	2.0
179.07202	2.4
185.04324	2.4
189.05524	6.0
192.04219	4.9
203.05255	14.7
203.06952	2.5
205.05045	3.1
207.06531	17.5
208.40955	1.3
222.56084	1.4
231.06592	5.4
249.07596	2.8
261.99738	1.5
267.08774	3.0
296.27725	1.3
303.10620	100.0
304.10950	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	303.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
65.03938	0.7
66.86739	0.3
67.05492	0.7
68.99769	0.4
69.07065	1.7
70.06560	0.3
70.56979	0.4
70.57318	0.5
76.47652	0.3
79.05483	1.4
81.07041	1.0
82.06569	0.7
82.18641	0.3
83.04960	0.5
86.09680	0.4
89.03894	0.6
91.05453	0.9
92.04424	0.3
92.04987	0.9
93.05768	0.5
94.06554	1.5
95.04980	0.6
96.04488	0.4
96.08105	0.5
97.06499	0.4
98.06078	0.6
105.07024	0.4
106.06550	1.7
107.04963	0.7
107.07317	0.3
109.06519	0.4
110.05356	0.4
110.06047	5.5
112.07580	0.9
116.04975	1.1
120.04470	12.8
121.05198	0.4
122.06020	3.2
124.07590	5.0
126.74523	0.3
134.06015	3.1
137.05965	0.9
138.05528	0.4
139.03893	0.4
140.06012	0.6
140.07059	6.6
141.07870	5.7
142.08636	17.0
144.04413	1.5
154.08585	1.9
162.05498	100.0
163.05885	2.6
164.06989	1.1
164.88007	0.3
167.10576	0.4
216.10269	1.4
217.13359	0.5
226.08548	0.4
229.04567	0.3
230.08034	0.6
240.10065	0.4
243.11229	1.3
244.09708	1.0
258.11255	2.5
261.12381	8.1
262.12909	0.4
267.01880	0.3
279.13397	2.6
285.12332	2.1
286.10693	2.9
303.04919	1.2
303.13379	14.2
304.13712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06740	0.2
50.26921	0.3
55.01856	0.3
67.05512	0.3
68.59635	0.3
69.92936	0.8
79.05482	0.4
81.07067	0.4
81.67828	0.3
90.26707	0.3
91.05506	0.3
93.07046	0.6
93.58713	0.3
98.22760	0.3
99.85285	0.3
110.52671	0.3
137.05962	0.8
141.01794	0.8
151.07457	0.4
153.01804	0.4
179.83218	0.3
199.09657	0.4
211.09700	0.3
257.04504	0.3
257.10226	0.8
285.09622	0.3
303.05029	3.2
303.14130	100.0
304.14456	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	303.1956
Annotation	Marianin B
Peak:m/z	Relative Intensity
55.05503	11.6
57.07074	5.2
67.05501	7.3
69.07076	8.4
71.08627	2.2
71.44983	1.7
79.05503	7.5
81.07061	8.8
83.08628	4.6
91.05486	6.8
93.07040	6.1
95.04975	4.7
95.08619	7.7
97.10192	2.9
98.22984	2.4
98.32491	1.5
98.61010	2.1
103.05467	2.6
105.07053	3.4
107.04965	6.4
109.10148	2.6
117.07005	3.7
119.04959	4.6
121.06544	5.1
123.04427	14.0
131.04878	3.8
131.08536	3.2
131.58839	1.7
133.02872	1.9
135.04410	10.1
137.06009	6.4
139.03902	46.0
145.06519	3.8
145.10138	2.6
147.04419	3.0
147.08125	2.4
148.93791	1.6
149.02272	3.4
149.05988	9.2
151.03914	13.4
153.05486	16.7
155.08539	2.3
159.04407	3.9
159.08086	2.2
161.05992	4.4
162.03165	2.1
163.03905	71.6
163.07591	5.3
165.05475	6.9
167.07158	2.0
173.06058	3.9
175.07620	3.9
177.05473	35.7
177.09073	4.4
179.07065	7.2
187.07538	3.6
191.06999	14.1
193.08624	1.9
201.09166	3.3
205.08638	7.3
207.10304	2.6
215.10747	2.4
219.10143	3.9
226.38300	1.8
233.11757	3.7
242.12468	1.6
247.13509	2.8
285.18558	5.5
299.86081	1.7
303.19598	100.0
303.23080	12.3
304.19894	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	303.2322
Annotation	Azorellolide
Peak:m/z	Relative Intensity
51.75246	0.2
53.03938	0.5
55.05509	6.3
57.07064	0.9
62.25879	0.3
65.03945	0.4
67.05161	0.6
67.05504	8.6
69.07066	4.8
70.63134	0.5
71.08640	0.4
79.05492	2.8
81.07055	7.3
82.07401	0.3
83.01331	0.8
83.08620	2.7
88.07633	0.3
91.05464	1.4
91.42679	0.3
93.07049	0.5
94.04175	0.3
95.04958	0.6
95.08601	5.3
97.10176	2.1
98.23218	0.4
104.99291	0.6
105.07018	0.4
106.08657	0.3
107.04956	2.8
109.06506	2.3
109.10158	1.4
111.11716	0.5
113.06033	0.4
117.07032	0.7
121.06486	0.8
123.04422	0.3
123.08014	0.4
123.11697	0.8
125.05984	1.4
131.08554	0.3
135.05589	0.5
135.08057	0.9
137.05972	100.0
138.06313	2.2
145.06444	0.6
149.05908	0.3
149.09645	1.6
151.07539	2.9
159.08151	0.4
161.52304	0.3
162.06769	0.7
163.07538	15.4
164.07799	0.5
165.09114	0.5
165.16399	0.5
175.07442	0.3
176.08163	0.3
177.09105	27.6
178.09431	0.8
179.18001	0.3
191.10664	6.8
193.12221	1.1
205.12213	1.0
207.13806	4.0
219.13693	0.3
221.15396	1.4
296.39844	0.3
303.23178	24.6
303.30627	2.6
304.23495	1.5
304.29865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Azorellolide
Peak:m/z	Relative Intensity
55.01857	0.2
55.05514	2.1
57.07081	0.3
65.03935	0.3
67.05503	3.2
67.10353	0.1
68.44348	0.1
69.03407	0.2
69.07072	1.6
69.35715	0.7
71.08621	0.2
79.05509	0.9
81.07059	4.3
82.39870	0.1
83.01347	1.6
83.08632	1.1
91.05475	1.6
93.07043	0.2
95.04987	0.2
95.08613	3.4
97.10167	1.2
98.22726	0.3
98.23372	0.3
99.54142	0.2
104.99294	0.2
107.04932	0.1
107.08602	0.3
109.06517	2.0
109.10175	1.8
111.11727	0.2
117.06999	0.4
119.04917	0.4
121.06485	0.8
121.10178	0.2
123.08118	0.2
123.11707	0.9
125.05982	0.4
131.08545	0.5
135.08049	0.9
137.05975	100.0
138.06302	2.3
145.06476	0.4
148.05194	0.2
149.09622	1.7
151.07547	1.8
159.08060	0.8
162.06761	0.6
162.49892	0.2
163.07545	7.9
164.07887	0.3
165.09247	0.1
175.07562	0.2
177.09106	20.0
178.09464	0.8
179.10664	0.2
179.17931	0.3
191.10670	2.7
193.12286	0.8
193.38202	0.1
205.12306	0.7
207.13799	5.9
208.14095	0.2
219.13719	0.2
221.15358	1.8
235.16972	0.2
241.23650	0.3
285.22046	0.2
303.23181	30.3
304.23471	2.0
304.29932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98343	0.4
56.05045	0.9
66.90911	0.5
67.05507	0.8
68.05029	3.0
68.99789	0.8
69.07084	1.0
69.76118	1.5
72.66393	0.4
73.85651	0.4
74.06062	0.5
79.05540	0.5
81.03432	1.0
81.07072	0.9
82.03753	0.5
82.06603	0.8
83.05026	0.7
84.04504	1.2
84.08146	1.0
91.05496	0.9
93.03457	0.6
93.07048	0.5
94.06575	0.6
95.04958	0.6
98.22815	0.6
107.04971	0.6
109.02886	0.7
110.06037	0.7
111.00824	0.9
111.11724	0.7
113.06030	0.7
118.06560	1.9
119.06914	0.8
119.08575	0.6
121.02884	0.9
123.04497	0.7
127.03909	0.6
130.06560	1.5
130.08652	1.1
131.06921	1.2
131.08913	0.4
132.08049	1.2
133.08473	0.6
133.10167	0.9
137.02361	1.6
137.05965	1.0
138.02702	2.1
138.06364	0.6
144.08092	0.6
145.07523	0.8
146.05991	3.2
147.06361	2.2
147.11736	0.5
153.01799	3.9
154.02153	3.6
158.06000	2.5
161.07095	0.6
164.04224	0.7
166.02211	1.4
168.08105	0.6
172.09914	0.6
173.07132	3.1
174.06415	0.5
175.08727	0.7
175.11137	0.7
184.03247	0.7
184.04810	0.8
185.10759	0.6
186.07896	0.7
188.04356	0.5
188.07047	2.1
189.07440	3.4
195.02933	0.5
195.09235	1.5
198.07866	1.1
198.10214	0.6
199.11095	1.0
201.10257	0.8
202.05815	1.7
210.10248	0.8
213.10254	3.1
214.09863	1.1
222.10248	0.9
225.09134	0.7
226.09738	8.5
227.10529	42.8
228.11287	13.3
229.04948	1.0
230.05327	6.1
232.16969	0.6
238.09744	0.6
240.11316	40.8
241.11627	1.6
242.09314	0.8
243.12173	1.2
250.18005	0.9
256.10806	100.0
257.11148	4.6
258.04752	2.0
259.14502	0.7
260.14618	3.2
268.10803	35.9
268.18842	2.1
269.11246	2.1
286.04465	1.8
286.11856	84.0
286.20209	2.0
287.12186	3.9
304.05273	70.1
304.12881	55.5
304.20840	1.2
305.05475	3.1
305.12991	2.2
305.22095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
57.03088	0.4
57.03414	0.3
58.06593	0.5
60.04521	0.7
61.02917	0.6
69.03439	1.3
69.07069	1.1
69.15087	0.7
69.15491	1.6
77.03938	0.5
77.11906	0.3
79.05496	4.9
81.03416	0.8
81.07056	0.7
85.02915	2.9
86.06065	2.4
86.09740	0.5
91.05418	0.5
93.07011	0.5
95.04986	2.3
97.02882	1.7
97.06522	0.5
98.23430	0.8
98.97598	1.1
105.07030	0.4
107.04953	100.0
108.05293	2.8
109.02827	0.6
109.06557	0.6
111.11723	1.1
113.06046	0.5
118.36559	0.4
123.04427	1.1
124.07560	0.9
125.06047	0.4
125.09631	0.8
127.03912	3.6
137.05992	0.7
139.03906	1.2
142.08641	0.4
143.10695	0.6
145.04964	0.9
146.06007	0.5
151.03880	1.6
158.99553	0.4
179.03430	1.0
180.08723	0.5
192.04004	0.4
198.09724	0.5
209.11777	0.4
214.08600	0.5
227.09018	0.4
245.15013	0.5
255.08658	1.2
259.06094	0.7
287.05573	0.6
304.11374	0.5
304.14374	1.1
304.17853	1.0
305.06567	1.6
305.11151	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05481	0.4
57.03442	0.5
61.02918	0.6
67.05479	0.6
69.03423	1.0
69.07056	1.3
71.04986	1.2
72.08134	0.7
77.03922	0.6
79.05490	4.6
81.03375	0.4
81.07032	0.6
83.05000	0.4
85.02892	3.4
85.06531	0.4
86.09699	0.8
95.04964	1.8
96.95996	0.3
97.02876	1.3
97.10155	0.4
98.23492	1.2
98.97598	0.4
105.04478	0.7
107.04947	100.0
107.08580	1.8
108.05288	2.2
109.06512	0.7
111.11696	1.7
113.06011	0.6
121.06494	0.5
123.04449	0.5
124.07598	0.4
125.05975	0.9
125.09610	2.6
127.03918	0.8
137.05998	0.4
139.03847	0.4
143.10658	2.7
145.04924	0.8
145.06499	0.3
149.02351	0.4
149.05981	0.4
149.09598	0.4
151.03880	0.3
161.05984	0.4
179.06950	0.5
199.16960	0.4
200.09833	0.4
229.10381	0.4
229.12587	0.4
303.98950	0.5
304.05121	0.4
304.14526	4.1
304.17670	0.5
305.11389	0.4
305.15518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69982	0.9
53.13971	0.9
55.05489	1.1
56.05033	21.0
57.07076	23.5
58.06350	0.9
58.06601	12.0
60.04512	3.3
67.05495	1.2
68.05029	2.4
71.08265	1.6
71.08628	16.4
74.06075	22.3
85.10185	7.8
86.06052	3.5
88.07618	2.7
98.23520	2.1
104.07081	1.5
104.99274	3.1
112.33459	1.0
113.05994	3.8
118.08661	9.8
122.08136	36.9
231.05383	1.0
251.25528	1.2
256.26343	2.6
298.42337	1.1
304.28452	100.0
305.20862	2.0
305.28778	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	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97913	0.5
55.05511	0.9
55.21972	0.5
56.04787	0.9
56.05035	11.5
56.54431	0.5
57.07074	8.1
58.06603	6.1
58.88475	0.5
60.04514	2.4
62.64831	0.5
65.36099	0.6
68.27812	0.5
69.93883	1.1
69.94199	0.6
71.08634	4.1
73.70047	0.6
74.06076	10.2
85.10174	1.2
86.06064	1.8
88.07628	35.3
89.08032	0.6
104.07105	0.8
104.99265	1.5
113.05978	1.5
118.08653	6.4
122.07384	0.7
122.08148	6.3
127.03909	0.9
136.75940	0.5
151.03897	1.1
155.35707	0.5
159.10167	0.6
179.03267	0.6
242.24799	0.9
243.98906	0.6
256.26346	36.7
257.26700	1.3
286.27484	1.9
287.34113	0.5
304.28445	100.0
305.06827	0.6
305.28812	6.2
318.44406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05508	0.7
55.19101	0.5
56.86987	0.5
57.03438	0.9
61.02893	0.5
65.03932	0.5
67.05504	1.0
69.03428	6.3
69.07061	1.5
69.49271	0.9
69.49603	2.1
71.04993	0.9
79.05497	1.2
81.03415	6.6
81.07065	1.6
85.02915	4.2
87.00814	2.3
91.05469	1.3
91.14889	0.6
93.07091	0.8
94.51669	0.6
95.04922	0.7
97.02897	1.2
99.04433	1.7
105.07024	0.6
109.02879	5.8
111.04424	1.2
112.42830	0.5
117.89105	0.5
119.08586	0.5
121.02859	0.7
122.05974	0.5
123.04395	2.6
124.07582	1.4
125.06022	0.5
127.03903	13.1
130.06493	0.6
133.02835	1.5
137.05991	0.5
139.03903	13.5
145.10091	0.7
146.11719	0.7
147.04381	0.7
149.02356	0.9
149.34557	0.5
151.03889	2.9
153.01820	3.3
154.71625	0.6
158.06006	1.6
169.10107	0.6
175.03979	0.6
179.03427	2.2
202.10800	0.9
205.12260	0.8
215.63948	0.6
216.03928	7.2
217.04707	5.5
223.13361	0.7
231.04848	1.0
233.11710	1.4
234.05014	0.5
243.06174	0.6
251.12747	1.4
259.06049	0.9
269.13956	0.9
287.05606	0.8
287.13568	0.8
305.06296	100.0
305.15063	2.0
306.06622	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	305.064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92291	1.4
55.01866	2.9
55.05505	2.4
59.60711	1.4
65.03954	2.4
67.05490	3.7
68.26473	1.5
68.99789	5.3
69.07068	2.6
71.44785	1.4
72.08173	1.2
79.05489	3.1
80.47813	1.3
81.03429	4.4
81.07032	2.6
85.02940	1.3
85.06535	1.3
91.05463	2.7
93.03370	1.7
93.07053	8.1
95.04962	6.8
97.06511	1.9
97.22747	1.3
105.03381	1.9
109.02877	14.9
111.00811	4.2
111.04424	2.4
111.08088	1.7
118.06513	1.5
119.04945	3.1
121.02885	1.7
121.06531	4.9
123.04428	30.6
123.05270	2.0
126.03701	1.7
127.03919	73.8
133.02818	4.7
137.05972	1.7
139.03899	41.7
139.07545	10.6
147.04419	10.9
149.02339	8.0
149.05989	4.6
151.03903	65.2
153.01859	8.1
153.05476	17.8
155.03375	15.1
157.08647	2.6
161.06024	1.3
164.07069	7.0
165.05452	4.5
167.03458	2.1
167.06932	3.4
175.03949	7.0
179.03383	29.5
185.08170	3.9
188.07123	1.7
189.05396	1.6
195.03020	2.4
203.03381	6.7
208.02692	1.9
213.05525	5.0
216.03963	4.5
231.06502	4.7
233.11719	2.6
241.04893	2.6
247.06093	1.8
253.07159	1.4
259.05994	7.5
271.08160	2.6
275.05508	3.3
277.07117	5.1
278.07547	1.5
287.05472	22.2
305.06387	100.0
305.15457	6.3
306.06729	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	305.0657
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.42766	0.3
55.01862	1.1
65.03954	2.7
67.01866	2.3
67.05499	1.8
68.16799	0.4
68.99786	3.8
69.03426	1.3
69.50071	1.4
77.03944	0.8
79.05492	0.4
81.03411	1.1
81.28323	0.4
83.01337	0.5
89.03932	0.8
91.05453	0.5
93.03410	1.1
93.07031	0.6
95.04964	4.8
97.02897	1.1
105.03415	2.2
105.04476	0.6
105.07055	0.5
107.04943	1.8
108.05297	0.4
109.02881	1.6
110.03627	0.5
111.00810	1.5
111.04447	6.1
115.05495	0.5
117.03410	1.0
117.04329	0.3
117.07000	0.6
119.08585	0.4
121.02862	10.9
121.03853	0.7
121.04040	0.6
121.06477	0.7
123.04429	69.4
124.04791	2.2
125.05967	0.5
127.03910	14.7
129.07024	1.3
133.02841	4.1
135.04413	2.4
137.02335	1.5
137.05920	0.5
139.03902	9.7
139.05020	0.6
139.05470	0.6
141.07031	0.5
143.04904	0.8
145.06517	0.7
147.04410	2.4
147.08084	0.5
149.02341	73.6
150.03052	3.0
151.03908	11.2
152.04262	0.5
153.01825	100.0
154.02141	2.4
155.03392	1.7
157.06499	4.6
160.05255	0.6
161.02333	6.6
161.05988	1.1
163.03934	1.1
163.07483	0.4
167.03412	11.7
167.04794	0.8
168.03746	0.6
171.02930	1.0
171.04375	0.7
175.03983	2.0
175.07567	1.6
179.03397	8.9
185.05977	9.6
185.07959	0.5
185.08278	0.5
185.40800	0.4
189.05409	0.9
191.03296	0.5
195.02887	18.5
196.03284	0.6
197.05920	0.5
203.03363	2.9
203.07077	1.5
212.43849	0.4
213.05470	15.6
214.05859	0.9
217.05025	0.9
225.05431	0.4
231.06523	52.0
232.06854	3.2
241.04955	7.4
242.05209	0.6
258.05249	2.3
259.06024	61.5
260.06357	2.9
269.04434	0.8
277.07059	0.9
287.05502	23.7
288.05783	1.5
305.06546	20.0
305.10019	1.0
306.06918	1.6
326.74783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0657
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
55.01871	1.3
59.38037	0.6
65.03940	1.5
67.01842	0.9
68.99792	4.0
69.35223	3.7
77.03979	0.9
79.05521	0.7
81.03437	0.6
89.03905	1.7
91.05416	0.7
95.04968	1.3
105.03374	1.9
107.04962	1.1
109.02890	1.8
111.00799	1.7
111.04414	0.8
115.05483	0.9
121.02859	9.2
123.04425	22.5
127.03902	5.6
129.06996	2.1
133.02856	0.9
135.04411	1.6
137.02347	1.2
139.03905	5.0
141.06972	1.1
147.04402	3.0
149.02341	73.9
150.02751	2.6
151.03920	3.1
153.01822	18.2
154.02184	1.0
155.03360	0.8
157.06494	4.6
161.02333	1.6
161.05981	1.1
164.07013	1.3
165.01782	0.8
167.03391	0.8
170.91487	0.7
171.04433	1.1
175.03912	3.5
175.07558	1.8
177.05402	0.8
179.03423	2.5
185.02344	0.7
185.05975	9.5
189.05478	1.0
197.05815	1.4
199.03960	0.7
203.03381	10.6
203.07063	1.4
213.05473	12.6
217.04994	0.7
231.06522	65.3
232.06898	3.6
241.04933	10.2
259.06021	100.0
260.06400	3.9
269.04367	3.7
287.05493	39.3
288.05847	2.3
305.06375	2.8
305.15659	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	305.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93520	0.6
56.96555	1.5
57.03449	0.4
60.05629	1.1
61.02924	1.1
62.49851	0.4
69.03429	2.3
69.07076	0.5
70.06597	4.3
71.01376	0.4
71.41636	0.4
71.92993	0.6
72.93779	0.9
73.02911	0.4
74.49818	0.3
80.58389	0.3
81.03417	1.2
81.07104	0.4
84.08129	0.5
84.47001	0.3
85.02911	6.2
86.09731	0.6
88.04014	0.6
89.94052	0.4
90.94835	1.0
95.06104	0.4
97.02894	9.1
98.06058	1.1
98.61774	0.3
98.97580	1.7
99.04458	0.7
101.00861	0.4
105.93522	0.5
109.02897	0.6
113.06040	0.5
116.98602	0.9
119.01918	1.4
124.95496	0.5
125.02358	29.3
126.05520	0.9
127.03904	2.0
130.08621	1.1
131.01910	0.6
131.94971	0.4
132.95859	0.7
139.03900	1.1
140.07085	0.4
141.06673	0.5
143.03403	25.3
143.08125	0.7
144.03780	0.4
144.06583	0.7
145.03474	0.5
145.04950	1.4
145.96513	0.3
149.96098	1.3
150.05540	0.6
150.96886	0.9
151.03888	0.4
153.01849	0.9
161.02910	0.6
161.06670	0.5
161.96152	0.5
168.06509	0.9
171.98129	0.4
172.10803	0.5
172.97566	0.7
173.96085	0.6
174.03886	4.5
188.97046	0.4
189.13434	3.4
189.99168	0.5
190.98639	0.5
191.97191	0.8
200.09178	0.6
203.07561	0.5
205.95026	0.5
210.07668	0.8
214.98587	0.5
215.07672	1.1
219.96677	1.0
221.01752	0.8
233.98320	0.4
245.01807	0.4
246.09776	0.7
263.02908	4.4
264.03064	1.0
270.10748	0.6
281.01694	0.9
299.98737	0.4
305.12021	100.0
306.07971	1.4
306.12341	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	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01882	0.7
55.05511	0.9
56.95547	0.3
58.76972	0.4
59.05011	0.8
59.83696	0.4
65.03914	0.5
67.05506	7.5
69.03408	0.6
69.07079	0.9
71.05011	0.5
79.05502	1.5
81.07066	2.5
83.04939	0.5
83.08619	0.7
84.08186	0.4
85.02921	0.5
85.06561	0.4
86.62747	0.4
87.00803	0.4
91.05482	5.3
92.05781	0.7
93.05804	0.5
93.07048	4.6
94.06556	0.9
95.04970	2.1
95.08610	5.1
96.08116	0.9
97.06535	0.7
101.02330	0.4
105.04552	0.6
105.07040	1.5
106.07323	0.6
107.08609	0.8
108.08128	1.5
109.10159	8.8
111.08088	0.5
119.08590	4.3
120.08923	0.7
121.84890	0.4
122.06040	3.4
123.04370	0.5
124.07590	9.0
125.09698	0.4
126.05511	0.6
127.03893	1.1
129.46213	0.3
133.10144	1.5
134.10457	0.7
136.07576	100.0
137.07945	2.6
137.09593	4.3
138.09074	0.7
140.07062	1.1
147.08022	0.7
147.11691	1.2
148.11993	1.4
150.05441	0.9
151.03885	0.7
152.07068	18.0
155.10689	2.6
164.07060	76.0
165.07407	2.7
165.09087	2.2
170.08127	5.0
173.11743	10.0
173.13261	0.6
175.11147	0.6
176.11502	1.0
176.14354	0.7
179.03333	0.6
182.08133	18.9
183.10139	1.1
184.09610	0.5
201.11226	2.0
210.72147	0.4
269.10229	1.3
287.13882	6.2
305.06277	0.6
305.14954	2.2
305.18689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.211
Annotation	Caribenol B
Peak:m/z	Relative Intensity
55.01869	8.5
55.05507	46.4
57.03445	5.2
57.07071	7.7
62.13843	4.0
65.03928	6.8
67.05501	49.2
69.03435	8.5
69.07059	26.6
69.17429	16.6
70.06597	5.8
71.04992	5.9
71.06915	5.1
79.05492	62.0
81.07051	83.4
83.04982	6.4
83.08631	17.7
85.06541	8.5
88.07630	8.1
91.05478	81.9
92.05817	4.5
93.07045	76.6
95.04966	13.6
95.08597	57.2
97.06543	11.8
97.10164	14.0
99.08121	4.3
105.04505	4.5
105.07024	67.0
106.29031	3.3
107.04956	8.5
107.08591	44.6
107.10712	3.4
108.08987	4.6
109.06522	15.3
109.10156	10.8
111.08117	5.8
111.52942	3.4
115.05492	6.4
116.06217	8.2
117.07005	40.1
119.08572	48.3
121.06486	12.6
121.10132	34.2
123.08097	10.3
123.11645	3.8
125.09636	11.9
128.06229	11.7
129.06999	24.3
130.07785	14.8
131.07657	7.5
131.08563	85.8
131.09467	6.3
133.06473	9.8
133.10155	29.4
135.08107	5.4
135.11696	13.7
137.05965	38.8
139.11153	10.3
141.06895	4.2
142.07753	5.6
143.08559	69.9
145.10120	100.0
147.08057	9.3
147.11700	13.7
149.09627	12.2
149.13213	7.2
155.08527	5.5
157.10060	18.2
159.08006	4.5
159.10439	4.7
159.11630	23.5
161.09630	16.1
163.11185	5.4
169.10143	11.6
171.11690	18.7
173.13228	6.2
175.11127	4.4
181.10127	6.8
183.11694	11.3
185.13274	8.6
193.80263	4.5
195.11693	13.9
196.42416	3.5
199.11209	3.6
199.14859	3.7
204.37686	3.3
217.43839	4.1
227.17957	8.4
237.16409	20.9
255.17439	15.4
257.66333	3.7
258.66455	4.0
273.18463	41.5
287.20139	10.8
287.30420	4.6
293.06833	3.8
304.31296	8.7
305.17313	6.2
305.20984	27.1
305.28546	4.8
305.31488	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03940	1.5
53.45663	1.4
55.01872	15.7
55.05508	16.5
57.03439	2.1
57.07079	9.3
58.06594	4.8
60.22375	1.3
65.03933	2.1
67.05505	16.9
68.99784	3.2
69.06712	2.8
69.07068	47.1
69.38493	7.1
71.05009	2.6
71.08618	3.1
77.08631	1.4
79.05492	14.7
80.94849	2.5
81.07052	17.8
83.04967	4.9
83.08602	6.1
85.02898	4.6
91.05479	30.7
91.16146	1.4
92.05807	3.8
93.07041	12.1
95.04969	15.4
95.08602	12.1
97.06532	4.5
97.10139	2.4
98.22654	2.6
103.05485	2.1
105.07029	17.5
107.04948	6.4
107.08595	6.5
109.06528	7.2
109.10133	5.2
111.04436	4.0
113.02374	2.6
115.05448	5.0
117.07015	9.7
119.04929	6.5
119.08577	11.8
121.02785	1.6
121.06536	5.7
121.10153	5.0
123.04436	2.7
123.08077	4.4
125.05998	3.6
125.09641	2.2
127.03909	3.0
128.06198	3.7
129.07005	17.6
131.08577	14.6
133.06477	12.3
133.10130	6.5
135.08044	4.6
135.11743	2.6
137.05977	13.2
139.03889	17.9
139.11171	6.7
142.07823	2.0
142.87505	1.5
143.08574	14.7
145.06493	4.1
145.10095	7.9
147.04408	6.3
147.08035	21.7
147.11664	2.9
149.05965	5.2
149.09601	5.6
151.07547	6.8
153.05470	5.9
153.09038	1.8
155.08530	2.5
157.06508	2.8
157.10101	13.4
159.08026	3.3
159.11687	2.8
161.05988	14.7
161.09616	12.2
161.13168	1.6
163.07542	9.3
163.11276	1.7
165.09142	4.1
167.07036	3.0
167.10629	2.2
171.08044	6.8
171.11739	8.0
173.09645	2.4
173.13373	1.5
175.07567	11.6
175.11169	8.0
177.09085	3.8
177.12756	1.9
179.07027	16.8
179.10568	1.7
185.09612	6.6
185.13243	2.4
187.14693	1.6
189.09096	15.0
189.12753	3.8
191.10648	3.9
193.08609	19.1
193.10219	2.5
194.09315	1.8
199.11110	3.3
201.16396	5.7
203.10660	12.8
203.17876	2.3
207.10179	3.3
213.16222	1.6
217.12254	4.6
217.19514	3.4
227.17920	10.7
229.15868	1.8
245.18994	27.7
246.19357	2.1
255.17471	9.5
259.20578	6.3
273.18475	74.7
274.18884	4.4
277.21561	3.0
287.20053	23.3
304.31058	1.6
305.21091	100.0
305.30667	12.5
306.21371	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	305.2477
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.91201	0.1
53.03937	0.4
53.34985	0.1
55.05512	10.3
55.89213	0.1
56.05851	0.1
56.93840	0.1
57.07078	1.8
65.03930	0.1
67.05508	0.3
69.07069	8.1
69.44847	0.2
69.45254	0.3
70.07407	0.2
71.08647	0.2
73.29051	0.1
79.05499	1.0
81.07057	1.2
83.01348	0.1
83.08624	2.3
85.10159	0.1
91.05484	1.3
91.58549	0.1
95.04967	0.2
97.10172	0.9
98.22676	0.2
107.04941	0.7
109.06518	2.5
110.03667	0.2
111.11717	0.2
119.04933	0.3
125.06004	2.5
137.05980	100.0
138.06300	2.3
139.07504	0.1
140.69063	0.1
151.07550	0.8
165.09131	0.1
187.12440	0.1
305.24744	12.5
306.25021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41117	0.3
53.03945	0.4
55.01856	0.4
55.93517	0.7
56.96566	0.4
57.03438	1.6
58.85787	0.3
58.99585	0.6
61.02930	2.2
65.03945	1.8
67.05504	0.4
68.05028	1.7
69.03432	5.9
69.07081	0.3
70.81007	0.5
71.04993	0.7
72.93793	0.7
73.02911	1.7
80.16705	0.3
81.03416	1.3
81.07056	0.8
83.08607	0.4
84.04499	0.7
84.08151	0.7
85.01139	2.1
85.02907	13.6
85.03423	0.7
85.04025	0.4
85.06545	0.7
87.04465	1.3
89.94069	0.3
90.94821	0.6
91.03954	0.9
91.05459	0.3
93.72238	0.3
95.04959	0.4
97.02898	3.1
98.00634	2.2
98.97559	0.5
99.02682	3.6
99.04447	1.0
101.02332	0.4
101.90639	0.3
102.25323	0.3
103.03961	0.6
106.35774	0.3
109.02859	1.5
109.06514	0.6
113.02942	2.1
114.03681	0.3
115.03971	0.4
115.07517	0.4
116.98634	0.5
117.06975	0.4
123.04364	0.3
126.03741	25.7
127.03915	2.2
127.04588	1.6
127.07582	1.0
130.04974	0.4
130.06516	0.4
135.04472	0.3
137.05978	0.4
139.03900	6.0
144.04784	100.0
145.05069	3.4
145.08650	0.8
149.96124	0.8
150.96889	0.6
151.03943	0.4
158.06085	0.6
161.96103	0.4
163.03864	0.5
167.97256	0.4
169.04909	0.4
177.03317	1.1
179.00957	0.3
186.05910	3.0
191.97205	0.5
201.03725	0.4
205.95187	0.4
219.96735	0.9
265.00827	0.6
304.44522	0.4
306.10046	15.4
306.15356	0.7
307.10211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42434	1.9
51.67862	1.8
55.01868	3.9
55.05526	7.6
60.86100	1.6
61.02917	5.6
67.05502	13.8
69.07077	2.4
70.31354	3.2
79.05489	17.4
81.03416	2.2
81.07067	3.9
83.08628	6.5
85.02868	2.4
87.00845	2.1
91.05471	12.2
93.07044	67.2
95.04974	13.2
95.08610	8.6
97.06542	15.8
103.05482	2.9
107.04961	6.1
109.02850	1.5
109.06515	3.1
111.04430	2.3
111.08083	19.8
121.06510	45.6
123.04440	2.4
125.06016	4.7
127.03922	2.7
128.04268	3.1
137.05934	2.9
139.03923	14.8
139.07545	100.0
140.04242	2.4
141.05482	3.2
143.07068	1.5
148.05109	1.9
149.05975	46.4
151.03925	3.5
152.04243	3.0
153.05475	2.7
157.08604	43.5
167.07047	50.6
185.08098	44.1
186.08357	2.1
203.09157	7.3
229.07152	5.2
253.07066	35.0
265.00797	5.4
271.08105	17.0
285.06882	1.7
288.05655	2.4
289.09399	1.9
289.14352	2.1
306.06970	1.9
308.50592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.6
55.93525	3.9
57.03421	2.8
67.05511	4.9
69.03411	4.3
72.93795	6.1
79.05486	11.0
81.03416	2.9
81.07051	7.0
83.08670	1.8
84.04500	5.0
84.08145	9.2
85.02918	14.4
85.08488	5.4
86.06086	2.3
89.94049	3.5
90.94826	7.8
91.05489	12.3
93.07057	5.4
95.04963	4.4
95.08607	2.3
97.02888	3.1
97.06544	2.3
98.97607	4.4
104.74937	1.9
105.07047	22.3
105.29629	2.0
107.04971	4.7
107.08589	7.7
109.02895	2.3
109.06521	15.3
109.10141	2.1
115.05461	2.5
117.07032	10.2
119.04944	2.4
121.06467	2.1
123.04386	4.9
123.08099	11.2
123.94623	2.1
126.09151	5.4
127.03910	3.6
127.07602	6.1
130.05040	2.8
132.95859	3.7
133.06500	32.1
133.10039	1.9
135.04419	4.5
135.08052	22.1
137.05989	7.0
139.03908	100.0
144.03757	2.1
144.04800	9.4
144.10214	13.9
145.04991	5.3
145.06482	6.6
145.08563	4.3
146.06026	3.0
149.96098	7.6
150.96887	4.7
151.03906	7.3
151.07578	13.2
151.11159	10.3
153.09097	2.9
159.04395	2.4
161.06001	29.7
161.96112	4.4
163.03911	11.1
163.07544	23.5
165.05470	17.6
167.97205	4.8
169.04907	3.3
171.98187	3.3
173.06032	2.4
177.03285	9.2
177.05499	4.3
179.07025	43.9
181.04944	8.4
181.08623	3.9
188.03149	2.2
189.05472	16.5
189.99323	2.3
191.07057	6.5
191.97188	6.1
193.04849	2.7
197.08099	5.1
205.95207	2.9
207.06526	20.4
209.08067	13.0
214.12640	4.4
215.09132	4.7
219.96681	5.9
221.01892	3.3
225.07617	37.3
227.09119	6.7
233.98181	2.7
235.06046	12.3
242.15871	7.1
243.08635	8.7
253.07069	38.0
265.01010	4.0
271.08145	36.3
289.09149	6.5
306.15292	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	306.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13518	1.5
57.07074	100.0
59.99109	11.7
60.65772	1.3
70.61562	2.2
71.08626	1.9
73.06561	1.7
85.10187	2.3
86.06061	14.0
88.20081	1.4
89.06052	7.9
90.06339	1.7
95.60565	1.7
98.23173	2.1
101.65323	1.4
106.06552	65.8
113.48250	1.5
116.05315	48.3
116.98601	1.7
132.79063	1.3
137.05969	7.6
145.04303	12.1
184.35663	1.5
201.10558	74.9
208.05417	5.3
209.91180	1.4
227.70073	1.5
250.10153	3.9
261.02911	3.6
306.16306	8.3
307.22577	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	306.1701
Annotation	Convolamine
Peak:m/z	Relative Intensity
57.03440	2.3
58.50059	0.2
62.96163	0.2
69.39738	0.6
69.40097	0.3
71.01357	0.8
79.05493	0.2
82.36635	0.2
85.02902	39.0
86.03227	0.5
91.05489	0.3
93.07036	0.3
95.01319	0.4
95.08596	0.2
97.06506	0.2
103.03930	0.6
105.07000	0.2
106.06541	0.4
107.08608	0.2
107.13483	0.2
113.02372	2.0
118.06537	13.2
119.06841	0.1
119.07368	0.2
120.08098	0.3
121.06521	0.2
131.03398	1.7
131.10201	0.2
132.08092	4.2
133.08894	2.3
134.09624	1.2
146.09641	4.6
147.10432	0.5
147.11578	0.2
148.11264	0.2
160.11246	0.4
161.11920	0.3
175.11156	0.2
176.14337	84.4
177.13144	0.2
177.14699	3.1
189.12654	0.2
202.15852	1.2
216.13831	0.8
217.12169	0.2
234.14862	0.2
235.13297	0.3
246.14938	0.6
253.14293	0.3
260.16544	0.1
262.10709	0.3
276.12292	0.3
288.15948	1.3
306.16974	100.0
307.17282	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	306.17
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.2
63.40177	0.3
69.42343	0.6
69.42723	0.6
71.01341	1.0
71.73994	0.3
85.02901	35.3
86.03246	0.7
89.09380	0.3
95.01350	0.4
98.22740	0.4
103.03915	0.3
106.06557	0.5
110.40425	0.3
113.02366	1.9
118.06540	16.4
119.07387	0.4
119.08569	0.3
120.08060	0.3
131.03397	1.5
132.08063	3.0
133.08861	1.5
134.09601	0.8
146.09624	4.5
152.96687	0.3
160.11209	0.6
161.11868	0.3
176.14337	75.1
177.14729	2.6
202.15903	1.1
216.13850	0.4
246.14966	0.4
247.21130	0.3
248.09019	0.5
288.15976	1.2
306.16977	100.0
307.17374	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	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26438	0.3
58.02946	0.4
59.13904	0.2
67.05494	0.3
69.07072	1.2
69.14822	0.2
69.64679	0.7
69.65019	0.2
79.05493	0.7
80.68954	0.2
81.07058	1.1
87.27101	0.2
91.05490	0.6
93.07064	0.5
94.04177	2.0
95.08575	0.3
97.06599	0.2
107.08591	0.8
109.10161	0.8
114.09177	0.4
122.03645	6.7
124.26728	0.3
133.10130	1.0
135.11693	0.8
137.05977	100.0
138.06317	2.6
147.50780	0.3
153.12698	1.0
157.75465	0.2
170.15404	1.8
176.12422	0.3
182.15413	2.9
183.15738	0.2
203.83859	0.3
306.20651	1.1
327.04001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.4
55.93565	0.9
56.05017	3.5
57.06821	1.7
57.07075	23.5
57.07342	0.8
57.13850	0.9
58.06592	2.1
58.27479	1.1
59.61412	1.1
60.04524	24.6
61.43921	1.0
66.20767	1.1
67.05494	2.6
68.05019	1.1
69.07060	3.0
69.86711	3.1
70.06584	2.0
71.04984	2.1
72.04501	2.1
74.05698	1.7
74.06079	19.8
79.05494	2.5
81.03413	1.4
81.07045	3.7
83.08582	1.7
85.06583	1.6
86.06049	2.9
87.08102	91.1
88.07629	29.4
93.07025	2.1
95.08595	2.3
97.06544	1.6
98.23391	2.2
99.08084	3.0
101.09631	2.0
105.07006	2.1
106.38285	1.0
111.08105	1.9
115.07587	1.4
116.07088	1.3
122.09685	1.5
123.08025	2.1
128.10721	2.6
136.07561	4.3
137.05928	1.2
139.03891	1.6
140.10690	2.7
141.09071	2.0
142.12256	10.0
148.55678	1.1
151.83615	1.3
154.12141	1.0
158.11765	3.5
174.14891	20.9
176.12880	5.5
178.08617	2.2
179.03465	1.0
202.14380	6.5
214.14371	2.1
217.97224	1.2
220.15573	6.5
221.01805	6.3
256.19156	1.4
265.00772	15.8
265.11725	1.5
274.20117	30.8
275.20511	1.4
288.21622	1.6
306.22717	100.0
307.01810	2.5
307.12778	11.5
307.15982	1.5
307.23141	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	307.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95837	0.7
70.06578	2.1
70.36401	1.5
74.07206	0.9
77.23981	0.7
77.59559	0.6
94.93011	20.4
98.22597	0.8
104.50198	0.6
112.03829	0.7
112.89604	44.6
114.89342	20.4
118.08639	6.0
150.91934	2.4
174.89555	1.7
183.29424	0.8
189.13464	4.8
189.51611	0.8
190.91118	1.5
194.94568	1.6
202.89093	100.0
203.89380	1.9
212.85258	0.7
216.90691	3.4
218.92274	3.8
232.90096	2.3
232.92287	3.4
244.90143	5.1
246.88075	3.2
248.89563	1.0
261.03049	0.8
288.89038	2.7
306.90219	8.9
306.96494	1.3
307.04166	3.0
307.09924	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	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.96568	1.1
64.39000	0.6
65.03914	0.8
65.86669	0.6
67.05504	0.7
84.69402	0.6
95.04939	0.8
97.02875	0.7
98.97552	1.7
101.00885	2.5
107.04960	1.0
109.02881	0.6
111.04403	1.2
116.98662	1.1
119.01922	3.9
121.02856	0.9
123.04448	1.4
127.03914	2.6
131.04910	1.1
133.02872	1.4
135.04419	2.5
139.03900	95.1
140.04236	2.1
141.75537	0.5
145.04994	1.1
149.06061	0.7
151.03908	4.4
153.05479	1.4
158.99898	1.7
159.04428	1.7
163.03928	8.4
169.04933	2.5
177.00940	9.0
177.05466	3.7
178.01053	0.9
181.04951	5.6
183.01273	0.9
195.06549	2.4
201.00992	1.9
205.04836	0.7
217.04077	1.5
219.02005	14.5
220.02113	1.6
220.66719	0.8
223.06116	0.7
225.00992	2.8
237.02823	0.7
243.02002	11.9
244.02014	1.4
247.05917	0.7
261.03067	100.0
262.03226	10.4
276.22476	0.6
284.04672	5.4
289.07104	1.0
307.07886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.54625	3.1
56.96565	53.1
57.03423	4.1
69.01954	3.2
69.03430	8.9
70.09227	2.9
70.30743	5.3
71.04993	4.1
73.38229	3.2
74.09324	3.0
81.03410	7.5
84.96070	3.6
85.02895	10.2
86.73167	3.1
87.04459	4.2
92.63403	3.1
94.93018	13.9
97.02888	11.9
99.04442	3.6
100.99152	19.4
104.07113	10.4
107.04988	3.3
109.02852	8.1
110.97562	14.5
119.00129	5.1
126.97051	4.4
127.03910	31.0
128.98605	11.9
139.03899	39.3
144.98073	10.8
145.04982	4.0
146.99646	14.8
161.68214	2.9
162.99158	6.7
163.03926	4.9
165.00690	12.3
172.97594	12.3
181.05032	3.3
190.98643	38.8
202.89093	100.0
203.89423	4.1
208.99657	45.9
218.31720	3.3
218.92261	5.1
227.00723	4.1
244.99686	4.6
246.88124	3.5
270.97729	4.2
288.98752	21.9
306.99835	12.1
307.04636	6.1
307.07822	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0814
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
51.34164	0.2
53.00294	0.4
55.01863	0.9
56.96567	0.3
65.03938	1.3
67.01858	0.2
67.05521	1.0
68.99780	1.0
69.03423	0.2
69.82940	0.4
76.78233	0.2
79.05502	0.4
81.07066	0.3
83.04972	0.9
83.12986	0.2
85.02894	0.2
89.03924	0.2
93.03408	0.9
93.07013	0.2
95.04968	1.6
97.02895	0.3
98.23479	0.3
98.97591	1.1
103.05412	0.2
105.03400	0.2
107.04964	1.2
111.04445	1.7
117.03384	0.3
121.02846	0.9
121.06494	0.3
123.04456	1.3
127.03907	0.8
130.06525	0.6
131.04936	1.4
133.02837	1.5
135.04410	3.4
139.03900	100.0
140.04218	2.7
145.02853	0.5
145.06497	0.2
145.27809	0.2
146.06000	0.2
147.04413	0.2
149.05980	0.9
151.03897	4.0
153.01825	0.6
153.05490	1.1
157.07626	0.7
158.06027	0.5
159.04424	2.7
163.03911	8.9
164.04283	0.4
167.07074	0.4
169.04987	2.1
170.96159	0.2
171.28513	0.2
177.05478	3.0
179.00813	0.3
179.07010	0.4
181.04956	5.0
183.82661	0.2
195.06543	2.6
201.05325	0.3
203.08350	0.2
205.04996	0.6
219.06519	0.2
221.01880	1.4
223.06004	1.0
247.05991	0.6
261.08847	0.2
265.00775	3.1
265.07169	0.3
289.07187	0.7
292.66483	0.2
307.01581	0.4
307.07956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0812
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
50.08070	0.2
50.29280	0.2
51.97878	0.2
53.00305	0.4
55.01870	0.5
65.03931	1.0
67.05486	0.9
68.99780	0.6
70.68221	0.5
72.13302	0.2
75.84281	0.2
79.05502	0.3
83.04973	0.6
89.03917	0.2
93.03408	0.8
95.04979	1.2
95.50288	0.2
97.02908	0.2
97.79898	0.2
97.91093	0.3
98.97591	0.3
107.04980	1.1
111.00843	0.2
111.04438	1.1
117.03396	0.4
121.02839	0.7
123.04435	1.0
126.90900	0.2
127.03936	0.8
131.04930	1.0
133.02856	1.0
135.04424	2.2
139.03897	100.0
140.04231	2.1
145.02837	0.4
147.04384	0.3
149.05980	0.9
151.03902	4.8
153.01830	0.6
153.05463	0.9
158.87367	0.2
159.04433	2.1
163.03908	9.0
167.07062	0.4
169.04950	2.9
174.42139	0.2
177.05441	2.4
181.04950	7.1
195.06511	2.8
199.03751	0.2
205.04950	0.7
223.06042	1.2
247.06046	0.6
261.02905	0.2
262.74631	0.2
289.07059	0.9
307.07986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0813
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
50.94156	0.2
53.00299	0.5
55.01874	1.0
58.27998	0.2
65.03938	1.1
67.05495	0.8
68.99472	0.2
68.99780	1.3
71.37974	0.3
75.82742	0.2
79.05479	0.3
83.04993	0.4
89.03934	0.3
93.03406	0.8
95.04987	1.1
97.02901	0.3
97.69608	0.2
98.57787	0.2
107.04977	1.3
111.04472	1.3
121.02872	0.9
121.06461	0.2
123.04407	0.8
127.03924	0.7
128.51062	0.2
130.06557	0.3
131.04904	1.2
133.02846	1.7
135.04414	3.3
139.03905	100.0
140.04250	2.4
145.02827	0.4
147.04462	0.2
149.05992	0.8
151.03888	3.8
153.01804	0.6
153.05467	1.2
159.04436	2.6
163.03908	9.9
164.04338	0.4
165.05458	0.3
167.07106	0.3
169.04982	2.0
169.98611	0.2
177.05484	3.1
181.04958	4.8
195.06541	3.5
205.04971	0.6
223.06084	1.4
247.06111	0.6
289.07086	0.8
307.08087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0812
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.00301	0.6
53.03931	1.4
55.01863	1.4
55.10273	0.4
56.96569	3.0
57.01436	0.5
57.03427	1.5
65.03926	1.4
67.05492	0.8
68.99786	1.0
69.03426	3.2
71.04996	0.8
81.03427	2.7
83.04977	1.0
85.02899	4.9
90.00970	0.4
90.27326	0.3
93.03387	0.9
94.92979	2.2
95.04965	1.8
97.02904	4.9
98.98456	0.4
99.04449	3.0
100.99144	0.7
103.11282	0.4
107.04964	1.1
108.27805	0.4
109.02882	3.2
110.97556	0.7
111.04438	1.7
112.89598	0.5
121.02883	1.1
123.04424	1.3
127.03033	0.7
127.03922	13.1
128.98613	0.8
131.04936	1.0
133.02844	1.2
135.04417	3.2
139.03902	100.0
140.04265	1.5
144.98125	0.8
145.02750	0.6
145.05000	1.9
146.99615	0.9
151.03908	4.7
153.01822	0.5
153.05489	1.1
159.03307	0.4
159.04404	2.4
162.99165	0.5
163.03899	9.6
165.00711	1.0
169.04982	2.5
172.97557	0.6
175.04027	0.5
177.05478	2.2
181.04933	5.4
190.98643	1.5
195.06512	2.3
202.89108	10.7
202.91006	0.5
205.05005	0.8
208.99681	2.9
223.05913	0.9
232.92256	0.9
244.90173	0.6
246.88039	0.5
247.05956	0.7
288.98819	1.0
289.07120	0.4
306.90082	0.5
307.07767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69192	0.6
67.05499	1.1
69.23415	3.3
79.05508	1.4
81.03410	0.7
82.02946	1.0
83.05005	1.4
85.02908	0.9
87.00846	2.5
88.07657	1.0
94.06567	1.9
95.04973	7.5
97.06532	1.2
101.06007	1.3
103.05468	1.1
111.04447	10.8
113.02354	4.4
115.05486	0.8
119.24857	0.7
124.96793	0.7
127.07575	0.9
129.87657	0.6
130.06532	88.6
131.06860	3.1
132.04454	21.0
139.03908	2.5
146.06010	5.0
149.05995	1.5
157.07617	76.4
158.06021	100.0
158.08076	2.7
159.04411	0.9
159.06384	3.5
163.03883	0.9
173.07117	4.6
175.08669	47.4
176.09007	1.4
177.05496	2.4
195.06561	1.0
197.07088	2.5
199.08670	2.8
199.44177	0.8
201.06570	4.7
203.08138	5.6
209.08098	9.6
217.09610	0.8
221.09183	4.0
225.06552	1.0
243.07646	11.1
245.09209	2.2
245.66447	0.7
247.07094	3.1
255.08646	18.8
255.11349	1.0
261.08719	44.4
262.09082	1.8
271.07108	1.9
271.46457	0.7
289.08218	13.7
290.08438	0.8
307.09149	6.1
307.12421	1.4
307.16324	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.44769	1.7
52.76986	1.7
55.01868	11.2
55.05258	3.2
55.05509	46.5
57.03434	36.2
62.49374	2.0
65.03927	1.9
67.05506	37.5
69.03423	4.1
69.07073	10.6
70.29745	3.1
71.04969	2.2
75.99036	1.8
79.05487	37.4
81.03416	4.7
81.07053	26.0
83.04995	6.6
83.08627	21.2
84.91819	2.0
85.06566	3.0
90.17341	1.8
91.05477	26.3
93.07036	15.9
95.04957	9.4
95.08598	8.7
97.06530	5.7
97.10162	35.2
98.98440	1.9
105.07035	16.5
107.04958	18.7
107.08594	21.7
109.06524	9.6
109.10176	11.0
111.08092	4.3
117.07015	12.7
119.08585	16.1
121.06518	9.2
121.10114	5.2
123.08056	4.4
125.09631	26.3
129.07016	4.6
131.04942	3.5
131.08546	10.3
133.06465	3.0
133.10141	5.0
135.08060	19.5
137.06042	2.3
137.09619	5.8
143.08557	5.5
144.05695	2.6
145.06503	3.2
145.10112	6.9
147.08046	9.0
153.09103	6.5
155.08577	2.5
157.10110	5.5
159.08046	62.9
159.11655	3.2
160.08827	2.6
161.09666	5.8
163.07494	5.9
165.12782	2.3
166.13213	3.0
169.10112	5.8
171.10225	3.5
171.11711	4.3
173.09651	6.4
173.13310	3.2
175.11122	3.2
177.09116	4.5
185.09674	5.1
187.14859	7.2
189.11261	10.5
189.12718	3.0
193.12302	2.7
197.13297	2.2
215.14290	15.1
232.25427	2.0
233.15347	24.0
237.00620	2.2
243.17470	4.9
253.15889	8.6
261.03085	4.5
261.18616	4.0
271.16910	34.1
279.01816	2.2
289.17966	100.0
290.18350	5.5
290.21854	2.5
303.95682	2.1
307.18793	16.6
307.24167	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01867	2.1
55.05512	20.1
57.07067	5.2
65.03922	2.9
67.05504	72.2
69.07059	15.2
71.04992	4.8
73.06584	2.5
77.03902	2.4
79.05492	38.4
81.03422	5.9
81.07057	53.7
83.04980	4.6
83.08620	7.9
84.94663	2.0
85.02906	1.7
85.06558	4.6
91.05477	46.6
93.07035	31.3
95.04971	9.8
95.08606	42.2
97.06520	2.5
97.10176	3.4
99.08098	1.9
103.05470	2.5
105.07028	52.0
107.04953	4.1
107.08601	24.5
109.06529	5.2
109.10148	30.9
109.34061	1.8
110.10486	1.6
111.08109	1.8
117.07006	15.4
117.50809	1.7
119.08575	44.1
121.06519	4.3
121.10135	15.0
123.08063	7.2
123.11701	7.0
125.09636	5.8
125.14779	1.6
129.07022	4.5
131.08591	22.4
133.10129	42.3
134.10555	2.6
135.08066	5.3
135.11685	4.8
137.09628	18.3
145.10124	13.9
147.11684	25.9
149.09589	13.1
151.11176	4.4
155.08578	2.4
157.10172	3.5
159.11716	14.7
161.13246	10.4
163.11209	5.1
163.14839	2.1
169.10114	3.3
171.11720	3.9
173.09782	2.1
173.13200	12.0
175.11229	3.2
175.14886	4.2
177.12752	3.7
181.40520	2.0
187.11179	3.7
187.14839	3.4
197.13301	2.9
215.14445	1.9
215.18021	2.0
218.06927	2.0
229.19511	6.1
239.17946	3.7
247.20595	7.5
257.19012	9.1
275.20047	100.0
276.20422	5.9
279.23364	3.6
289.21579	6.4
307.22607	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03945	21.0
55.01873	41.3
55.05517	22.1
57.03435	4.2
57.07089	3.8
58.17261	3.4
62.98258	6.0
65.03940	5.2
67.05504	58.5
69.07070	49.6
69.85694	11.3
70.07393	3.3
73.95112	3.4
79.05496	44.3
80.94846	6.5
81.03424	42.2
81.07059	100.0
82.09961	4.3
82.94611	3.7
83.04973	12.5
83.08607	11.5
85.06527	9.4
91.05479	50.1
93.07047	56.1
95.01311	5.8
95.04964	17.7
95.08617	49.5
97.06535	73.6
97.10130	3.9
98.22749	6.2
98.97575	5.4
105.07038	74.4
105.61584	3.9
107.04948	28.5
107.08586	17.7
107.96662	4.1
109.06506	9.7
109.10149	13.0
111.08042	6.5
117.07012	20.4
119.08580	39.9
121.06504	6.9
121.10143	10.9
123.04456	5.0
123.08071	11.8
123.11707	4.3
125.09644	7.1
131.08569	25.1
132.52423	3.3
133.10130	43.4
135.08115	5.6
135.11685	15.4
137.06029	5.0
145.06436	6.1
145.10132	19.2
147.11621	18.4
149.09610	15.7
149.13298	6.2
151.11195	8.0
157.10159	3.6
159.11746	22.7
161.13242	4.3
163.11205	10.4
164.92039	10.4
165.08989	4.4
171.11731	4.6
177.12752	17.2
179.14316	12.6
183.11702	3.4
187.11098	10.1
209.15370	6.4
219.17412	10.5
229.19455	4.0
247.20518	6.9
257.19113	10.7
261.03091	9.6
275.20071	96.2
307.23010	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	307.2268
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
52.92429	0.6
55.01871	2.8
55.05511	8.0
56.05808	0.6
57.03423	0.7
57.07075	49.0
59.04983	1.5
61.02907	2.8
61.43141	0.6
65.03937	1.3
67.05505	26.9
68.05827	0.8
69.07065	12.6
69.69827	2.5
71.04987	1.0
71.08630	52.8
72.04516	3.0
72.63702	0.6
79.05495	14.4
81.03432	0.7
81.07056	36.6
82.07376	1.3
83.04988	4.5
83.08617	4.1
85.02895	1.5
85.06564	1.2
85.10180	15.1
85.10699	0.9
91.05473	13.5
93.07045	14.8
95.04963	12.2
95.08603	26.6
96.08942	1.0
97.02898	0.7
97.06509	1.2
97.10160	1.6
103.05462	2.8
105.03380	0.7
105.04514	1.3
105.07032	8.2
107.04942	7.4
107.08595	9.0
109.06517	2.8
109.10155	2.9
111.04438	9.7
111.08038	0.8
113.02349	2.0
115.03907	0.8
115.05463	1.6
117.07021	8.8
119.08596	6.6
121.06507	9.7
121.10142	10.0
123.04426	1.2
123.08049	1.2
123.11694	4.4
125.05996	2.3
127.03928	3.5
129.07034	1.6
131.04907	0.7
131.08562	10.2
133.06477	3.4
133.10117	3.1
134.07281	1.5
135.04430	0.7
135.08046	17.2
135.11650	5.3
137.05997	2.2
137.09569	1.3
137.13239	3.0
139.03899	39.9
139.07541	1.7
140.04190	0.9
140.59912	0.6
141.12746	8.3
145.06496	3.1
145.07515	0.7
145.10117	4.7
147.08049	4.2
147.11694	1.4
149.05995	5.3
149.09604	13.0
149.13275	1.6
150.06754	1.8
151.07515	3.9
153.05481	2.3
153.09103	19.5
155.14299	10.8
157.75642	0.6
159.08020	3.4
159.11684	2.4
161.09546	1.5
162.06766	1.1
162.23309	0.6
163.07539	17.6
163.11179	2.3
163.14781	0.7
165.09122	4.2
167.10684	5.2
173.09625	1.2
173.13268	1.5
175.07628	1.4
176.08279	0.7
177.09108	19.7
181.08556	0.7
187.11206	1.5
187.14832	1.0
190.09842	0.9
191.10687	5.2
195.10088	0.8
201.30373	0.6
203.18015	1.4
205.19505	8.2
209.15340	3.5
219.21120	4.9
229.19496	7.0
230.19839	0.7
233.19037	0.7
237.22104	0.9
247.20569	22.4
248.20851	1.7
257.18976	3.1
261.22131	3.8
275.20065	52.9
276.20349	3.7
279.23257	4.0
289.21622	16.6
290.22028	1.5
307.22662	100.0
308.23080	5.7
314.87067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
55.01860	3.9
55.05506	8.1
57.03428	1.8
57.07073	52.6
59.05011	1.5
61.02912	3.4
62.73774	0.8
65.03918	1.2
67.05502	26.0
68.02663	0.9
68.95649	1.1
69.07061	13.1
70.84489	1.2
71.04995	1.1
71.08628	50.1
72.08949	1.0
73.06580	1.2
79.05492	15.1
80.94829	1.7
81.03425	1.0
81.07053	32.7
83.04965	5.1
83.08612	3.6
84.12147	0.9
85.02911	1.3
85.06546	2.0
85.10172	14.3
91.05475	12.5
93.07041	13.4
95.04962	11.6
95.08018	1.6
95.08601	23.6
97.06519	1.4
98.75150	0.8
103.05452	3.5
105.07027	6.6
107.04961	5.9
107.08590	9.5
109.06511	2.3
109.10123	2.3
111.04430	7.6
111.11751	1.3
112.87498	0.8
113.02345	1.2
115.05418	2.0
117.07021	8.7
119.08572	6.2
121.06505	8.1
121.10140	10.4
123.04400	1.4
123.08056	1.8
123.11680	4.2
125.05968	3.5
126.82442	0.9
127.03915	3.5
129.07018	0.8
131.07796	1.0
131.08582	11.6
133.06511	3.7
133.10139	2.8
134.07262	0.8
135.08044	17.7
135.11671	4.8
137.06001	2.2
137.09595	1.8
137.13242	4.1
138.56903	1.0
139.03893	39.2
139.07533	2.2
139.11261	0.8
140.04247	1.3
141.12726	6.4
145.06493	2.9
145.10054	4.5
147.08037	3.1
147.11674	2.4
149.06007	6.4
149.09615	10.6
149.13239	1.1
150.06648	2.1
151.07527	3.5
153.05466	3.3
153.09099	20.7
155.14302	8.9
159.08032	3.2
159.11665	2.1
161.05791	0.8
161.09578	1.6
161.13188	1.6
162.06860	1.4
163.07523	14.8
163.11168	2.1
163.14839	0.9
165.09100	3.6
167.10670	5.0
173.13232	2.7
177.09108	16.8
187.11203	1.4
190.09828	1.4
191.10696	3.6
205.19498	6.9
209.15407	2.3
219.21039	3.4
229.19458	7.1
244.77081	0.9
247.20558	23.5
257.19046	2.0
261.22107	4.3
275.20050	56.8
276.20413	2.9
279.23209	5.1
289.21570	21.9
290.21881	1.1
307.22653	100.0
308.23004	6.9
323.16595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.40744	1.4
53.03941	2.8
55.01875	12.5
55.05513	28.0
56.05855	1.4
57.03426	6.6
57.07071	2.3
59.04984	2.7
65.03922	1.8
67.05502	68.0
68.05847	1.9
69.03420	3.8
69.07068	40.3
69.66086	5.9
71.05004	5.1
73.06548	2.5
79.05489	41.7
81.03426	10.7
81.07058	85.7
82.07381	2.2
83.04980	8.7
83.08619	13.1
85.06547	4.8
91.05482	38.2
93.07040	39.2
95.04968	42.1
95.08606	45.2
97.06532	14.9
97.10146	4.3
98.06059	3.0
99.08110	2.6
105.04511	1.7
105.07024	46.7
106.07323	2.0
107.04951	8.2
107.08595	25.2
109.06516	17.7
109.10144	19.5
110.10487	1.7
111.08084	5.6
117.07006	13.1
119.08574	46.1
120.08877	1.8
121.06557	6.8
121.10159	20.4
123.08064	23.7
123.11724	7.9
124.81721	1.6
125.09610	3.7
126.60236	1.3
129.06961	4.6
131.08574	17.2
133.10132	30.4
135.08090	7.8
135.11682	9.8
137.09593	15.6
139.07584	1.8
143.08545	4.2
145.10114	18.2
147.08002	2.2
147.11682	24.7
149.09618	10.5
149.13226	5.2
151.11179	6.5
151.40295	1.5
155.08543	2.3
157.10129	5.8
159.11668	15.6
161.09549	3.4
161.13264	9.1
163.11215	9.6
163.14861	1.5
165.12761	4.6
169.10123	2.2
171.11659	5.2
173.13261	11.8
175.11151	4.0
175.14748	1.9
177.12746	4.0
183.11714	4.7
185.13220	1.9
187.14774	2.5
191.14255	2.2
193.12212	2.6
197.13303	2.9
201.12781	3.6
207.13824	4.8
219.13718	1.6
219.17442	2.4
220.66356	1.6
229.19489	3.8
233.15460	1.9
239.17953	4.8
247.20610	11.0
251.16319	2.7
257.19009	10.2
261.03159	9.0
263.20096	1.9
275.20053	100.0
276.20398	4.4
289.21576	17.9
306.28006	1.8
307.19116	2.0
307.22662	50.5
307.28131	29.1
308.23038	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03951	0.3
55.01862	0.3
55.05509	9.7
56.05859	0.2
57.03428	0.5
57.07074	1.0
59.04994	0.6
59.89219	0.1
65.03936	0.5
67.05502	5.8
68.99793	0.8
69.07063	5.1
69.07440	0.3
71.04989	0.5
71.08627	23.3
72.08961	0.4
73.47940	0.1
79.05502	0.8
79.07959	0.1
81.07053	6.0
83.04992	0.3
83.08616	5.4
85.06543	0.6
85.10158	0.2
91.05480	0.4
93.07051	0.8
95.04955	1.4
95.08601	4.5
97.06537	0.3
97.10163	2.0
98.23231	0.2
98.97564	0.2
99.08088	11.9
105.07000	0.2
107.04963	0.6
107.08585	1.2
109.06513	0.3
109.10151	2.9
111.04441	5.3
111.11750	0.2
113.52602	0.1
114.00704	0.1
117.06951	0.2
121.06480	0.8
121.10130	0.2
123.04421	50.0
123.11698	1.1
124.04761	0.6
127.11189	0.9
133.06519	0.1
133.10110	0.2
135.08057	1.1
137.05980	2.2
138.06296	0.1
141.12737	0.2
147.11702	0.2
148.05112	0.1
149.05972	8.6
149.09686	0.2
150.06287	0.2
151.07523	0.3
163.07532	12.6
164.07936	0.3
165.09048	0.3
177.09114	2.2
179.17973	0.4
191.10648	0.3
193.12254	0.3
197.18901	0.6
203.17924	0.1
207.13820	0.3
237.14821	0.5
261.03091	0.4
262.03000	0.2
276.87894	0.1
289.21667	0.8
304.08530	0.2
307.22644	100.0
308.22989	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03935	4.1
55.01872	10.1
55.05264	1.6
55.05510	28.0
57.03417	6.2
57.07050	4.7
59.04977	1.8
63.63009	1.4
64.03605	1.6
65.03910	3.5
65.92175	1.5
67.05502	66.3
68.05824	2.9
69.03415	3.6
69.07066	42.2
70.07380	1.8
70.27675	3.0
71.04976	5.0
77.03906	1.6
77.41836	1.7
79.05490	41.8
81.03401	5.5
81.07054	80.0
81.88287	1.4
82.07378	4.0
83.04982	8.4
83.08628	13.0
85.06526	4.2
91.04951	2.3
91.05482	38.7
93.07043	39.1
94.07368	2.1
95.04967	39.8
95.08027	2.8
95.08607	46.1
96.08900	3.2
97.06533	11.8
97.10137	5.3
98.06035	9.5
99.06365	3.9
99.08111	2.9
105.04531	1.5
105.07025	38.6
107.04924	5.7
107.08593	22.7
109.06506	17.8
109.10149	20.3
111.08073	4.6
111.11660	1.7
112.07568	1.8
117.07005	11.5
119.08577	36.1
121.06468	6.3
121.10147	20.8
123.08066	22.8
123.11674	7.8
125.09601	3.3
129.06979	4.2
131.08565	18.4
133.10129	29.4
135.08047	7.0
135.11705	8.7
137.09618	12.5
137.13237	2.1
139.11136	2.2
143.08511	3.8
145.10118	13.9
147.08023	2.2
147.11679	23.5
149.09624	9.3
149.13324	3.4
151.11169	6.0
155.08574	2.8
157.10100	4.0
159.11670	14.0
160.90898	1.4
161.13280	7.1
163.11121	7.0
165.09010	1.6
165.12750	5.7
169.10019	2.2
171.11697	4.3
173.13222	7.8
175.11171	3.9
175.14769	1.8
177.12694	4.5
183.11661	4.0
185.13135	2.0
187.11191	1.5
187.14746	1.8
191.14294	2.5
193.12160	2.1
197.13266	2.2
201.12759	4.6
205.41275	1.9
207.13799	3.3
219.17375	4.1
224.83270	1.4
229.19482	4.8
239.17987	3.5
247.20575	8.7
251.16281	1.8
257.19034	9.7
261.03134	8.7
263.20056	2.3
275.20050	88.0
276.20587	2.9
283.93451	1.4
284.04669	1.7
289.21591	13.6
306.27972	2.6
307.22751	48.7
307.28186	100.0
308.23016	3.4
308.28561	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
52.13190	0.4
55.05516	1.0
56.96072	0.4
57.07076	38.1
59.04979	0.4
67.05495	0.7
69.07073	1.5
71.08634	23.5
72.04520	0.6
73.64592	0.4
75.49323	0.4
77.03168	0.4
79.05481	1.5
79.41495	0.5
81.07044	0.8
83.08573	0.6
85.10182	12.2
87.20461	0.5
95.08629	0.6
107.04956	3.7
110.03625	0.9
111.04472	2.2
119.08607	0.5
123.04424	0.8
125.05994	28.5
126.06374	0.5
139.03900	10.8
147.86275	0.5
149.05984	0.5
159.37386	0.5
164.87762	0.4
190.90536	0.4
198.94876	0.4
275.20096	0.7
307.26288	100.0
308.26645	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	308.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05512	5.2
57.03421	0.6
59.05001	1.4
61.02916	0.8
65.03926	0.9
67.05504	5.6
69.07060	1.8
70.72528	0.9
71.01326	0.8
71.04986	0.9
76.02209	2.2
79.05482	2.8
81.07043	1.8
83.04983	7.3
83.08617	0.6
84.04507	1.0
85.02485	0.6
85.02917	6.5
85.49657	0.6
87.04453	0.8
91.05464	1.1
93.03400	1.1
93.07046	0.8
95.04968	41.2
96.05301	1.0
97.06506	3.4
99.04463	0.8
101.06023	4.9
103.03929	0.9
103.05454	2.0
105.03373	1.3
105.07030	1.7
105.97206	0.7
107.04946	1.6
111.04443	49.6
112.04775	0.8
113.02359	22.7
114.10293	2.4
119.08577	1.5
121.06518	3.4
123.04441	1.2
125.05991	2.6
129.05476	2.2
131.04906	2.1
133.06465	1.7
135.04407	0.9
141.05469	0.8
147.06483	0.8
149.05989	7.9
150.06665	0.7
153.05525	0.8
159.04388	2.4
162.02225	0.8
163.07603	0.8
167.06973	1.5
177.05464	13.5
179.04857	1.5
182.26443	0.6
183.96382	0.6
191.07036	4.4
193.08521	1.1
195.06473	3.0
205.04994	1.0
209.08083	45.1
210.08441	2.0
220.78854	0.6
223.05887	0.8
227.09160	0.9
237.07550	1.8
255.08629	100.0
256.08951	4.6
266.01059	0.8
273.09851	1.3
278.96640	0.6
307.97787	1.3
308.07968	0.9
308.19305	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	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
52.71538	0.3
55.16901	0.3
56.63322	0.3
57.07062	0.6
69.07073	0.9
70.52305	0.4
71.08630	0.5
79.05486	0.5
80.94822	0.4
81.07051	1.8
91.05458	0.6
92.56138	0.3
94.04174	1.8
95.05733	0.4
95.08589	0.5
98.22777	0.4
98.97672	0.4
99.08083	0.5
106.15099	0.3
109.06541	0.7
113.76618	0.3
122.03656	6.9
128.10648	0.3
137.05972	100.0
137.13205	0.7
137.88109	0.3
138.06310	2.6
155.14374	0.4
165.12680	0.4
165.71429	0.3
172.16972	1.4
184.16948	3.3
262.03189	0.7
291.23120	1.1
308.25766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01861	16.6
55.05510	75.3
55.95469	3.8
56.48809	4.5
57.07054	5.6
59.04991	9.7
61.97337	3.7
65.03940	7.2
67.05502	43.4
68.05820	5.6
69.03426	5.7
69.07061	51.3
71.04992	5.4
79.05490	100.0
80.03711	4.1
80.04996	6.4
80.05803	8.8
81.03435	4.7
81.07054	71.8
82.06573	9.8
83.04984	6.3
83.08620	41.4
85.06556	4.7
88.20143	3.6
88.38477	4.1
91.05017	5.3
91.05484	54.5
92.05002	12.1
93.07038	78.5
94.06569	4.8
95.04968	19.6
95.08624	22.4
97.06518	9.0
97.10174	43.0
101.05997	6.8
105.04502	7.4
105.07042	29.0
106.06538	17.1
107.08591	48.2
108.08118	16.0
108.08922	14.9
109.06516	14.0
109.10146	11.9
111.04408	7.9
116.98566	4.9
117.07022	8.1
119.08578	10.2
120.08089	7.2
120.08895	5.6
121.10136	17.3
125.09634	40.4
126.09922	5.7
131.08568	17.1
132.08073	7.9
133.10149	12.4
135.08073	5.9
135.11612	5.0
137.04947	6.9
137.05966	79.7
143.10663	6.3
145.10085	4.7
147.11664	11.0
148.11169	38.9
149.09659	5.2
150.09819	4.7
151.11180	9.1
157.10143	4.1
161.09698	4.3
174.63351	4.9
176.14316	9.8
204.13719	10.1
222.14809	11.3
231.17389	6.4
249.18401	7.6
262.03235	7.5
275.26855	4.1
276.20236	19.5
277.17957	46.8
290.21143	41.5
299.28052	4.1
307.81409	4.2
308.22296	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0946
Annotation	Clobenpropit
Peak:m/z	Relative Intensity
59.69188	0.5
64.74969	0.5
66.19891	0.6
69.52470	2.6
76.58755	0.6
91.05442	0.6
98.22658	1.1
102.77719	0.5
119.04937	0.7
129.03123	2.9
147.04410	1.9
151.03918	0.7
151.26570	0.5
203.05267	75.5
204.05539	0.6
287.43784	0.6
291.15598	0.8
309.09442	100.0
310.09781	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0948
Annotation	Clobenpropit
Peak:m/z	Relative Intensity
61.68028	0.4
71.01371	0.4
89.99835	0.5
128.04308	0.4
133.53412	0.4
139.03880	1.2
140.04277	0.7
141.04376	0.6
144.54280	0.4
147.04222	1.2
172.83519	0.4
185.04245	1.5
199.91640	0.4
309.09457	100.0
310.09805	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
51.01818	0.2
51.16856	0.2
57.03412	0.6
68.99762	0.4
69.34270	0.2
69.70264	0.4
69.70643	0.7
71.01329	0.2
71.04976	0.7
75.04433	0.3
81.03374	0.3
83.04977	2.0
85.02911	2.9
91.05458	0.3
105.03367	0.5
123.04418	0.3
124.01534	0.4
129.05505	0.4
139.03859	0.3
141.05463	0.3
141.69060	0.3
143.07040	0.3
147.06523	0.3
151.03908	0.7
152.00972	0.6
153.01808	1.6
159.06900	0.2
163.03853	1.2
164.04634	0.3
166.02570	0.4
167.03400	28.7
168.03752	0.5
169.04922	0.7
177.05472	1.0
179.03369	1.1
189.05423	0.3
192.04199	3.5
193.04880	0.3
203.07005	1.7
205.04968	3.5
206.05730	10.1
207.06462	1.2
213.05321	0.5
215.07059	1.2
216.04169	1.8
217.04955	1.5
219.06528	0.5
227.06961	0.3
229.04826	0.6
230.05736	0.5
231.06514	10.2
232.07228	3.3
234.05190	4.7
234.07368	0.4
245.08104	0.7
247.09625	2.5
249.07574	47.6
250.07899	1.8
258.04907	0.3
273.07635	0.7
276.06363	0.9
291.08621	8.0
309.09668	100.0
310.10086	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05642	0.4
55.01868	0.6
55.05507	3.3
55.25756	0.4
57.03435	11.2
59.05008	2.2
61.02919	1.9
69.03423	2.7
71.01346	1.7
71.04990	25.6
71.46352	0.5
73.02916	5.6
75.04477	12.3
79.05501	0.7
81.03424	0.7
81.07050	0.6
83.04975	5.4
85.02900	100.0
86.03241	1.6
87.04459	3.1
93.07064	0.5
95.04951	1.0
97.02872	4.0
99.04427	1.6
101.06014	1.4
101.28094	0.4
103.03946	0.8
105.07024	0.7
107.08560	0.5
107.79583	0.4
109.02890	1.0
109.06462	0.6
111.04439	3.3
112.13828	0.4
121.10172	0.6
123.04430	0.6
127.03909	3.0
129.05473	21.2
143.79840	0.5
145.04988	1.1
147.06508	13.8
151.03871	0.5
165.07584	1.1
171.06566	0.9
191.82010	0.4
236.34261	0.4
255.08662	0.7
288.68088	0.5
309.11670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
57.03442	13.2
59.04998	2.4
60.07458	1.6
65.76258	1.7
69.03443	2.7
71.04629	2.6
71.04993	26.4
71.42517	2.0
73.02924	4.3
75.04478	14.0
75.08616	1.8
83.04981	5.4
85.02908	100.0
87.04456	4.2
95.20568	2.0
97.02931	2.9
111.04446	4.7
113.72278	1.9
115.69218	1.9
127.03933	3.7
129.05489	24.6
147.06525	15.3
176.21582	2.0
191.08266	3.8
291.13467	3.0
309.11884	1.9
325.80347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73248	1.0
53.03946	1.4
53.13177	1.0
55.01900	1.3
55.05511	3.4
57.03440	9.7
57.07104	0.9
59.04996	2.2
61.02919	2.4
67.05508	2.7
69.03431	2.0
69.07083	2.4
71.01366	1.4
71.04998	30.1
73.02913	3.7
75.04484	12.9
76.65993	0.8
79.05485	1.7
81.03380	2.1
81.07053	4.3
83.04989	6.2
85.02908	100.0
87.04464	2.4
87.53004	0.9
91.05463	1.2
91.58717	0.9
93.07043	2.7
95.04955	1.2
95.08626	3.3
97.02903	3.0
99.04479	1.6
101.06039	2.7
105.07042	1.9
107.08598	1.6
109.02875	1.3
109.06538	1.2
109.10157	1.5
111.04443	2.6
119.08571	1.4
121.36626	1.1
123.11695	1.2
127.03935	3.1
129.05484	22.4
131.21498	1.0
133.10046	1.0
139.03961	1.5
143.17824	1.0
145.05006	1.4
147.06543	14.0
165.07570	1.4
171.06549	1.9
180.13823	1.4
239.92897	1.1
263.02908	1.6
266.21149	2.7
281.11996	1.1
309.12213	2.9
309.16672	2.7
310.23672	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	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
57.03445	10.1
59.04986	1.5
61.02931	1.5
63.25021	0.8
67.05499	2.1
68.25295	0.8
69.03424	1.4
69.07052	1.5
69.28722	4.6
71.01352	1.4
71.04993	26.5
73.02918	5.2
75.04484	14.1
79.05513	1.0
81.07053	2.4
83.05001	4.9
85.02905	100.0
86.06042	1.1
87.04443	2.3
91.05461	2.4
93.07063	1.9
93.71570	0.8
95.08601	2.3
97.02873	3.7
97.06540	1.3
97.80585	1.0
99.04483	1.5
101.05987	2.7
105.06993	1.2
108.08107	1.9
109.02912	1.1
109.10172	1.0
111.04448	2.7
111.08100	0.9
122.09672	2.3
127.03915	2.6
129.05479	26.6
135.11577	1.2
145.04871	1.8
147.04602	0.9
147.06523	16.3
150.12770	5.1
151.13545	1.4
180.13887	2.9
266.21161	22.2
291.19412	1.1
309.11328	2.3
309.16751	1.5
310.20340	1.3
310.23724	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	309.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
69.07064	1.8
71.44662	1.6
81.07063	2.6
91.05480	2.9
98.97550	1.8
135.42650	1.5
136.87280	1.5
139.46143	1.5
227.62929	1.7
263.02866	2.3
291.19339	1.9
309.16724	100.0
310.16986	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	309.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62973	0.4
53.22655	0.5
55.05499	1.1
56.96534	0.4
57.03437	0.4
59.05003	0.4
64.06377	0.4
67.05500	1.7
69.07072	2.0
69.52651	0.5
69.78049	1.6
71.04985	1.2
73.06493	0.4
79.05499	1.3
81.07056	1.8
83.04970	0.4
83.08616	0.5
85.02897	0.8
85.06609	0.4
91.05463	1.1
93.07031	1.6
95.08601	1.8
97.10162	1.0
97.59402	0.4
98.06071	0.7
98.98480	1.0
105.07016	0.6
107.08595	2.0
109.06534	0.9
109.10134	1.1
111.08160	0.6
119.08600	0.6
121.10159	0.7
122.09718	0.4
123.11722	0.6
125.09586	0.5
131.08612	0.4
133.10127	0.7
135.11662	0.8
137.13278	0.5
143.10709	0.6
145.10205	0.7
149.13264	0.7
150.12769	0.5
163.03934	0.6
180.13869	1.5
212.12819	0.8
223.85442	0.5
243.09071	1.6
261.10043	1.2
266.21234	2.4
291.19424	0.5
304.88593	0.5
308.27094	0.6
309.16724	100.0
309.27679	1.3
310.17050	4.9
310.20230	0.8
310.23615	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	309.1697
Annotation	(5R)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
53.01993	1.0
53.03942	0.8
55.01862	1.4
55.05515	5.2
55.34959	0.7
57.07074	4.3
65.03936	2.9
67.05502	9.7
69.07061	5.4
70.06610	0.8
71.04993	2.1
71.08624	1.9
79.05482	4.3
81.03412	1.0
81.07059	12.5
83.04981	2.0
83.08601	2.2
84.08141	1.6
85.02895	2.5
85.06509	0.9
91.05480	6.6
93.03410	1.5
93.07027	4.3
95.04952	3.2
95.08603	8.7
96.08154	1.2
97.06519	2.6
97.10162	1.2
98.09714	2.4
105.07009	4.8
107.04961	2.5
107.08580	2.6
109.02897	1.2
109.06506	2.6
109.10180	1.5
111.04446	17.5
111.11737	0.8
111.33193	0.8
115.05454	0.8
117.07064	1.3
119.04955	4.5
119.08563	3.1
121.02855	4.0
121.06499	1.6
121.10143	3.1
123.04428	40.1
123.08079	1.3
123.11709	1.3
125.05979	1.4
127.03805	1.0
131.04945	1.1
131.08566	1.3
133.06477	5.0
133.10135	1.7
135.04425	1.3
135.08049	1.6
135.11685	3.6
137.05978	7.4
137.09613	1.7
139.03897	100.0
140.04288	1.9
145.06436	2.1
145.10051	1.3
147.04398	9.7
147.08014	4.7
147.11685	2.2
149.05968	5.5
151.03891	5.5
151.07590	2.0
153.05513	6.3
153.12740	1.1
155.01131	1.0
157.06554	0.9
157.10085	1.0
160.46512	0.8
161.05960	9.2
161.09654	1.6
163.03885	1.6
163.07506	6.6
164.14349	2.6
165.01810	1.0
165.05486	18.5
165.12715	1.3
167.03412	17.6
167.07062	1.4
169.04976	1.0
175.07532	2.9
177.09045	2.0
179.03464	1.4
179.07030	15.0
182.15459	2.3
189.09042	2.4
191.07013	3.4
193.08672	1.6
199.14679	1.9
203.06825	1.2
205.08563	0.9
217.15817	4.0
227.14276	2.8
235.16945	6.1
245.15385	10.6
246.15776	1.1
255.13792	2.0
263.16418	15.8
273.14780	4.9
291.15881	20.2
291.20663	10.6
309.09723	5.7
309.13290	1.4
309.16956	19.8
309.21545	3.6
310.17215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05504	6.8
57.03399	1.5
57.07063	4.9
65.03930	3.0
67.05508	12.3
68.88427	1.3
68.99780	1.8
69.07065	8.2
69.14663	1.0
69.58021	4.3
71.04987	2.3
71.08617	2.9
74.09671	1.2
79.05476	5.3
81.07050	13.1
83.04968	2.2
83.08636	1.5
84.08129	1.4
84.93983	1.1
85.02895	3.3
86.57757	1.2
91.05469	7.3
92.26422	1.2
93.07034	5.5
95.04964	3.5
95.08601	9.6
97.02887	1.7
97.06517	3.0
98.23350	1.6
105.07008	4.6
107.04959	2.3
107.08562	2.5
109.02867	1.7
109.06487	2.9
111.04443	17.4
115.05460	1.9
119.04926	6.0
119.08578	4.5
121.02883	3.5
121.06501	2.0
121.10136	1.9
123.04426	37.5
127.03898	1.9
129.06961	1.6
131.08577	1.5
133.02890	1.4
133.06473	5.7
133.10001	1.3
135.11693	4.1
137.05965	7.2
137.09618	1.4
139.03894	100.0
140.04164	2.3
145.06502	1.8
145.10103	2.1
147.04393	10.9
147.08032	4.3
147.11670	3.5
149.05965	4.8
151.03893	5.7
151.07541	2.0
153.05501	6.9
153.12701	1.6
159.08081	1.7
161.05991	8.9
161.09668	1.9
163.03857	4.2
163.07529	10.9
164.14365	2.6
165.05461	18.7
165.09048	1.5
167.03392	13.4
167.07040	2.3
175.07504	4.2
177.05482	1.3
177.09096	1.7
179.03391	1.7
179.07011	15.4
180.07433	1.7
181.08391	1.3
182.15433	1.8
185.13326	1.1
189.09151	1.6
191.07019	2.6
193.08461	2.6
199.14755	1.9
205.12154	1.2
207.17558	1.5
217.15924	5.8
227.14265	3.4
235.16893	6.6
245.15355	13.8
255.13901	2.0
263.16418	20.1
268.54395	1.2
273.14755	6.0
291.12613	1.0
291.15894	23.2
291.20679	11.4
292.16083	1.8
292.21024	1.2
309.09763	3.7
309.13376	2.1
309.16925	20.5
309.21411	3.0
310.17114	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01869	0.7
55.05503	1.5
57.03424	0.5
57.07084	1.1
59.47600	0.4
59.67580	0.4
59.93244	0.5
65.03934	0.9
67.05512	5.9
68.99780	0.6
69.03427	0.4
69.07069	0.7
71.45430	0.5
73.60442	0.5
83.01338	1.3
83.01815	0.6
85.02912	0.7
95.04972	8.7
96.85940	0.4
98.03670	0.6
105.03374	1.1
105.04517	1.0
109.02868	0.9
113.06005	1.0
119.04900	0.8
121.02857	0.6
123.04433	24.1
125.05975	0.5
126.03147	8.7
128.31760	0.5
133.02864	0.6
133.06522	1.4
139.03903	2.9
140.04210	0.8
141.05464	28.9
142.05887	0.6
146.10677	0.6
147.04381	1.0
149.05939	0.8
151.03908	0.8
151.05011	0.7
153.01768	0.6
153.05481	1.9
154.02609	4.7
161.06001	1.5
162.57899	0.4
163.07498	0.9
165.05469	1.0
168.04185	1.6
169.04962	100.0
170.05321	2.3
179.07047	1.8
183.06505	0.8
193.08609	4.0
228.88742	0.5
259.16959	0.8
291.19693	0.5
309.20541	11.8
310.20923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	2.4
55.05511	8.4
57.03427	2.2
57.07068	0.7
59.04978	0.7
67.05501	18.8
68.05803	0.6
69.03400	0.6
69.07066	6.8
71.04980	1.5
79.05043	1.1
79.05489	15.1
81.03416	1.3
81.07051	12.4
83.04960	2.8
83.08591	1.5
85.06519	1.3
87.04485	0.5
91.05474	5.1
93.07030	7.7
95.04963	5.5
95.08601	100.0
95.67469	0.5
96.08937	1.8
97.06526	2.8
99.08099	1.0
101.57149	0.5
105.04517	0.6
105.07021	6.6
107.04977	1.4
107.08588	14.4
109.06532	1.7
109.10168	1.8
113.09615	1.0
117.07005	1.3
119.08566	1.5
121.10146	2.1
123.08071	7.3
123.11671	0.9
125.09631	0.9
129.06900	0.7
131.08537	1.0
133.10130	2.7
135.08031	0.9
141.09091	17.6
145.10135	1.2
147.11664	1.0
149.09586	1.7
151.11177	0.8
152.14371	1.3
157.12253	1.7
159.10162	54.3
160.10487	1.5
161.13287	1.3
163.11252	0.6
169.12314	1.2
193.12004	0.8
197.15367	3.5
239.12849	1.0
263.02908	0.6
263.20087	13.4
264.20346	0.9
291.19620	2.4
309.20569	7.1
309.25357	2.9
310.21106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
53.85537	0.3
54.94739	0.3
55.01871	1.1
55.05504	1.2
57.07069	0.7
60.92587	0.3
65.03944	0.7
67.01868	0.3
67.05505	5.7
68.99785	0.6
69.07062	1.1
69.52876	1.2
74.15001	0.3
77.03933	0.3
78.17775	0.3
79.05482	0.8
80.02646	0.3
81.07049	1.0
83.01350	0.9
83.04990	0.5
85.02877	0.8
91.05485	0.6
93.07048	0.7
95.04965	7.2
95.08595	0.6
97.10119	0.3
98.03661	0.5
98.23389	0.6
102.60643	0.3
104.37926	0.3
105.03378	0.8
105.07065	0.5
105.57881	0.3
107.08550	0.3
109.02884	0.7
109.10123	0.3
112.01552	0.3
113.05977	0.7
119.04920	0.6
123.04424	19.7
124.04732	0.4
125.02337	0.4
125.05978	0.8
126.03126	5.8
133.06520	0.5
137.02266	0.5
137.05952	0.8
139.03915	2.1
141.05457	24.8
142.05872	0.3
147.04395	0.9
147.08052	0.4
149.06001	0.5
151.05037	0.7
153.01735	0.3
153.05493	1.7
154.02585	4.0
161.05984	1.2
163.07541	0.9
165.05476	0.8
168.04173	1.5
169.04947	100.0
170.05290	2.8
173.09680	0.3
175.07547	0.4
179.07022	2.2
183.06517	1.0
189.09126	0.6
193.08607	3.4
241.15814	0.4
259.16965	1.9
277.21503	0.8
291.19540	0.9
309.20544	11.7
310.20966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	12.2
53.48387	3.3
55.01868	13.6
55.05508	29.2
57.03178	4.9
57.03436	48.3
59.04987	2.7
65.03939	3.6
67.05159	5.9
67.05500	83.1
69.03426	11.1
69.07063	37.2
69.64038	7.1
69.64419	6.3
71.04993	23.7
77.03906	3.9
79.05491	68.7
81.03414	22.9
81.07054	98.1
83.04967	15.8
83.08595	15.1
85.06542	10.8
91.05477	64.1
93.07043	76.9
95.04959	33.4
95.08603	75.3
95.09208	3.7
97.06529	85.3
97.10173	8.8
98.97578	7.3
99.08078	19.9
105.07027	56.6
107.04966	23.8
107.08586	41.9
109.06518	44.5
109.10161	32.4
111.04441	3.7
111.08106	7.8
113.06006	5.4
115.07573	12.3
116.98624	7.7
117.06997	26.8
119.08584	34.9
121.06490	13.8
121.10134	24.5
123.08076	15.7
123.11724	7.0
125.09602	3.6
127.07519	8.7
127.31976	2.8
128.06212	3.6
129.07004	14.1
131.08560	37.5
133.06471	7.4
133.10123	43.4
135.08041	25.2
135.11664	17.7
137.09653	6.0
139.07458	3.9
141.06947	3.8
143.08504	14.6
145.06464	7.7
145.10109	20.0
147.08043	9.0
147.11678	9.8
149.09592	13.5
149.13234	10.7
151.11223	14.9
153.09120	5.2
155.08531	3.2
157.10144	14.6
159.08047	4.2
159.11681	17.7
161.09647	12.0
161.13274	5.2
163.11272	4.8
168.50723	3.1
169.10135	7.2
169.12244	4.9
171.11685	8.7
173.13258	11.0
174.43790	3.7
175.11237	8.4
177.12727	6.2
183.11693	4.9
185.13268	5.0
187.11186	6.7
189.12794	4.9
189.16411	4.0
191.14258	6.0
195.11853	3.7
195.13783	9.5
199.14833	12.1
201.12732	3.6
205.12326	4.0
217.15797	19.3
219.13797	13.7
221.15472	5.1
223.13391	3.0
227.17992	3.7
233.15392	6.5
235.16962	7.2
241.14542	4.0
245.19067	5.4
249.14830	6.0
249.18690	3.4
251.16402	10.6
255.17482	6.3
260.14182	3.8
263.03070	3.6
263.20111	11.3
273.18494	43.9
286.15717	4.5
291.19522	100.0
292.19882	8.0
309.16983	4.2
309.20587	38.6
309.25385	11.9
334.20004	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
54.00290	3.3
55.01869	10.0
55.05511	40.8
57.03440	24.2
59.05001	7.4
67.05501	37.9
67.23215	3.9
69.07066	35.6
71.04969	4.0
79.05490	43.8
81.03402	4.0
81.07052	60.9
83.04976	10.3
83.08627	15.8
85.06539	3.8
91.05469	31.3
93.07053	30.0
95.04964	13.3
95.08611	30.9
97.06546	5.6
97.10178	18.7
98.22614	8.0
98.97565	3.7
98.98500	4.0
99.08094	6.1
100.11228	6.8
105.04482	3.7
105.07030	26.5
107.04961	19.6
107.08585	26.2
109.06500	22.6
109.10155	16.0
110.10476	3.5
111.08065	4.4
113.06020	3.5
116.98638	3.8
117.07007	29.5
119.08581	42.3
121.06495	11.2
121.10152	13.2
123.08049	13.5
125.09623	18.8
129.06984	10.7
131.08586	22.9
133.06483	4.8
133.10109	11.3
135.08078	11.7
137.13223	4.6
139.11224	4.9
143.08556	7.2
145.10123	25.8
147.08047	23.2
147.11694	7.4
149.09630	10.6
149.13246	4.7
150.12820	6.1
152.14349	23.3
155.01080	3.6
157.10126	9.8
159.11729	9.3
161.09692	10.5
163.11143	6.3
165.09091	4.2
167.21448	3.6
171.11758	5.8
175.11169	5.3
182.15378	10.8
185.13301	3.5
189.11230	10.9
196.16965	10.6
203.17915	4.3
210.14844	17.0
217.15979	3.7
219.13742	8.3
223.13327	5.6
227.17882	5.4
245.19073	4.8
255.17491	7.0
263.19937	4.5
265.22711	8.4
273.18491	54.6
274.18881	4.1
291.19528	100.0
292.19858	6.9
309.16949	5.7
309.20084	17.8
309.25366	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03937	3.6
55.01867	25.4
55.05509	36.0
57.03428	5.4
57.07062	3.5
59.04987	1.4
60.96120	0.9
65.03932	2.9
67.05500	84.6
69.03422	7.0
69.07066	36.1
69.18310	1.0
70.70908	1.6
71.04988	9.7
71.08601	1.0
77.03901	1.3
79.05487	56.5
81.03411	4.4
81.07050	93.6
81.14577	1.2
82.07393	1.9
83.01329	3.6
83.04971	16.5
83.08615	13.9
85.02895	2.8
85.06529	8.3
91.05473	62.6
92.05788	1.2
93.07039	57.0
94.07376	2.4
95.04958	17.2
95.08600	45.5
97.02891	1.3
97.06515	9.0
97.10148	3.5
99.04433	6.6
99.08074	4.0
101.05975	1.4
105.04516	1.9
105.07021	58.4
106.07327	1.2
107.04958	11.7
107.08588	56.5
108.08892	1.8
109.06499	17.9
109.10146	85.3
110.10559	1.2
111.04433	5.8
111.08057	12.9
111.91476	0.9
113.05991	3.0
115.05451	2.7
117.07030	9.4
119.04903	1.5
119.08575	17.8
121.06496	14.7
121.10131	14.1
123.04399	3.1
123.08070	7.8
123.11700	12.8
125.05972	3.2
125.09585	3.5
127.07541	3.7
128.06219	1.8
129.06970	6.6
131.08563	16.8
132.08850	1.2
133.06496	10.8
133.10120	100.0
134.10471	3.2
135.08031	8.1
135.11693	11.4
137.05975	3.6
137.09593	5.1
139.07523	7.1
139.11198	1.3
142.07741	1.2
143.08572	8.1
145.10107	15.9
147.08037	13.3
147.11693	7.3
149.09621	11.5
149.13237	3.1
151.07532	1.2
151.11174	61.5
152.11549	1.6
153.09068	2.8
153.12691	1.3
155.08577	1.8
157.10101	5.5
159.08011	2.7
159.11671	5.6
161.09627	15.6
161.13243	4.5
163.11139	3.2
165.09079	3.0
165.12631	1.8
167.10669	3.4
169.12222	16.0
171.11649	7.0
173.09566	2.1
173.13228	1.9
175.11127	4.4
177.09114	4.6
177.12730	1.4
178.17212	1.2
179.10626	4.8
179.14227	1.6
181.08589	3.6
181.10077	1.3
181.12250	3.3
185.13290	3.3
187.11115	1.6
189.12784	4.9
193.12201	1.4
199.11322	2.0
203.14273	4.4
203.17912	1.3
207.13785	2.7
213.12686	1.9
215.12775	6.4
217.12224	3.2
223.13298	1.4
227.17938	4.5
235.13319	1.8
237.16310	1.9
245.18970	14.7
255.17384	4.8
263.20044	19.9
266.20972	1.2
273.18457	42.8
274.18832	2.2
291.19519	73.0
292.19803	5.0
309.20593	24.1
309.24103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03937	1.1
55.01872	5.4
55.05502	4.3
57.03436	37.6
57.07074	1.4
65.03934	1.9
67.05161	1.7
67.05506	27.9
69.03417	1.0
69.07068	2.7
71.05003	3.4
71.45155	0.8
79.05489	14.0
81.07059	10.4
83.04970	1.1
83.08625	1.4
85.06541	32.3
85.07061	1.8
91.05474	10.6
93.07035	11.3
95.04965	42.4
95.08604	7.9
96.05292	0.8
97.06527	1.1
97.10182	1.0
97.35128	0.7
98.98451	0.8
105.07037	8.2
107.04957	4.2
107.08611	7.8
109.06516	38.4
109.10161	2.7
111.08105	1.1
113.06004	100.0
114.06329	1.2
117.07053	5.2
119.08567	5.5
121.06461	1.8
121.10123	2.7
123.08086	1.1
128.06245	1.0
129.07013	3.9
130.07802	1.3
131.08589	7.2
133.06514	1.1
133.10132	3.3
135.08044	31.0
135.11697	3.1
136.08386	0.9
137.09642	1.3
143.08577	3.3
145.10139	4.5
147.08060	2.4
147.11688	1.5
149.09637	3.3
149.13284	1.2
155.01051	0.9
157.10133	2.8
159.08116	1.1
159.11708	1.9
161.09605	3.8
163.11162	1.9
165.09114	1.1
171.11656	1.2
173.13347	1.4
175.11281	0.9
177.12715	1.9
181.10167	0.8
185.13286	1.3
195.11670	1.6
195.13960	0.9
199.14815	2.3
201.12718	1.2
217.15863	10.4
219.13724	1.1
245.19112	1.2
248.17586	1.0
255.17607	2.0
273.18512	12.9
274.19028	0.9
291.19528	42.0
292.19885	2.7
309.16931	1.4
309.20407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	11.9
55.01860	19.4
55.05501	16.3
57.03426	22.2
57.07084	9.0
67.05503	78.3
69.07066	10.5
69.28887	21.6
69.29293	10.1
79.05481	38.7
81.03422	24.9
81.07052	64.9
83.04974	14.8
83.08604	11.7
85.06532	18.2
87.00795	5.6
91.05470	38.5
93.02246	6.1
93.07041	51.7
95.04969	100.0
95.08601	31.6
97.06545	9.2
105.07024	26.3
106.04557	5.6
107.04966	19.8
107.08607	22.6
109.06521	85.2
109.10169	8.4
113.06010	23.3
117.07014	14.8
119.08556	18.5
121.06516	11.2
121.10126	13.5
123.08057	13.3
125.09618	5.4
129.07082	8.6
131.08548	28.4
133.10146	8.8
135.08040	40.7
135.11700	13.8
143.08545	8.4
145.10138	19.6
147.08037	8.3
147.11792	8.0
149.13243	6.6
157.10220	8.6
159.11674	9.7
161.09616	9.3
172.31783	6.9
192.26302	5.9
217.15831	13.7
263.20078	7.3
273.18582	29.5
291.19495	70.8
309.20474	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	3.2
53.88500	0.7
55.01622	1.1
55.01872	18.3
55.05511	27.2
55.65792	0.7
57.03440	4.5
57.07068	1.7
58.71914	0.7
59.04996	1.1
65.03926	2.5
67.05505	72.8
68.05829	1.4
69.03444	5.4
69.07065	25.4
69.78694	2.6
71.04993	9.5
75.87911	0.7
79.05492	40.1
79.14977	0.7
81.03420	5.6
81.07055	89.5
81.87869	0.7
82.07391	2.5
83.01336	2.2
83.04982	17.8
83.08628	7.8
85.02908	2.3
85.06547	8.7
91.05478	46.8
92.05840	1.1
93.07041	43.3
94.07385	1.0
95.04974	11.5
95.08606	36.3
97.02888	1.3
97.06520	6.1
97.10160	3.4
99.04454	4.7
99.08100	1.9
101.05997	1.2
102.34670	0.8
105.04517	1.7
105.07030	53.3
106.07350	1.3
107.04947	9.4
107.08591	49.6
108.08889	1.3
109.02884	1.0
109.06512	12.3
109.10155	82.1
110.10482	2.9
111.04456	5.0
111.08065	8.0
113.05997	4.2
113.10763	0.9
114.29124	0.7
115.05457	1.0
117.07015	7.6
119.04906	1.0
119.08579	15.6
120.02067	0.8
121.06519	6.9
121.10139	11.4
123.04420	2.1
123.08077	9.8
123.11701	12.9
125.06045	1.6
125.09637	3.1
127.07561	4.6
128.06187	1.2
129.07018	4.0
131.08563	11.2
133.06516	5.9
133.10124	100.0
134.10464	2.6
135.08038	8.8
135.11711	8.5
137.05937	2.3
137.09595	4.4
139.07520	4.4
139.11142	1.1
141.06964	1.3
143.08565	4.9
145.06485	1.4
145.10112	8.0
147.08037	7.3
147.11694	5.4
149.09628	5.7
149.13339	1.3
151.11177	62.6
152.11472	1.6
152.14342	7.0
153.09111	2.1
157.06448	0.9
157.10083	4.1
159.08107	0.9
159.11687	3.6
161.09601	8.8
161.13249	3.2
163.11134	3.9
165.09093	3.0
167.10674	1.9
169.12233	17.6
171.11671	4.1
173.09570	1.5
173.13249	1.8
175.11221	6.7
175.14893	1.0
177.09106	2.2
177.12688	1.7
179.10690	5.7
181.08594	1.9
181.12244	1.7
185.13202	1.6
187.11139	1.8
189.11145	1.1
189.12769	2.0
191.10722	0.9
193.12206	1.8
196.16902	2.8
199.11209	1.6
203.14313	2.3
207.13797	1.1
209.11745	1.7
213.12720	1.3
213.16373	0.8
215.12759	7.4
217.12340	1.8
217.19397	0.9
220.20613	1.5
223.13344	1.2
227.17911	3.4
235.13188	1.1
237.16483	1.2
245.19014	10.1
249.14780	1.4
255.17342	4.2
263.20044	9.7
273.18491	27.6
274.18747	1.8
291.19501	49.4
292.19861	3.0
309.20584	20.0
309.25284	17.1
310.21176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	9.9
55.01879	11.0
55.05511	26.7
57.03414	3.4
57.07071	3.1
59.04982	1.8
59.27948	1.5
60.38089	1.5
65.03933	3.3
65.59504	1.9
67.05503	72.1
68.99818	1.9
69.03437	3.7
69.07065	18.0
70.04073	2.3
71.04983	4.8
73.03768	1.6
74.97546	1.5
77.03943	1.7
79.05493	39.1
81.03416	27.3
81.07053	51.8
82.03766	1.6
83.04980	18.3
83.08607	8.2
85.06554	4.4
87.67976	1.8
91.04941	3.2
91.05476	35.3
93.07045	39.2
95.04966	23.3
95.08607	100.0
96.34112	1.8
97.06528	5.4
97.10163	8.2
99.04452	3.7
101.20713	1.9
105.04525	2.5
105.07021	25.4
106.24887	1.8
107.04950	16.3
107.08596	25.4
109.06502	5.5
109.10149	25.1
111.04427	2.2
111.08073	2.8
113.05978	2.2
117.07011	8.1
119.08559	17.2
121.06503	5.4
121.10155	13.1
123.08063	47.0
123.11718	4.9
125.09605	6.8
129.07008	4.7
131.08566	11.4
133.06534	3.7
133.10123	27.9
135.08055	11.5
135.11678	3.7
137.09601	12.7
139.07484	2.1
139.11137	2.9
143.08545	3.4
145.10109	8.0
147.08034	5.4
147.11700	6.4
149.09633	13.0
151.11163	11.3
153.09122	4.7
155.34586	1.7
156.87642	2.2
157.10109	2.7
159.10176	4.8
159.11679	4.2
161.09627	11.2
161.13255	2.4
165.09122	7.5
167.10692	3.8
169.12219	4.4
171.11656	3.1
173.11731	2.2
173.76180	1.9
175.11194	8.1
177.12741	3.6
179.10788	1.8
185.13239	2.2
189.11189	3.8
189.12660	4.0
195.10139	3.8
198.77895	1.6
227.18010	2.0
229.53584	1.9
242.56142	1.9
245.19011	6.1
249.18472	1.8
255.17433	2.5
263.20142	4.0
273.18484	22.1
291.19562	25.8
292.19946	2.4
309.20541	10.3
309.23920	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	309.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.45393	0.3
55.01870	0.8
55.05514	1.8
57.03426	0.9
57.07058	0.9
60.02568	0.3
64.02804	0.3
65.03947	0.7
67.05502	9.3
67.05864	0.5
67.15981	0.3
68.99799	0.7
69.03421	0.4
69.07072	2.1
69.27599	0.6
69.28012	0.8
71.04977	1.0
71.08635	4.5
77.03945	0.4
79.05495	3.7
81.03415	1.2
81.07057	4.5
83.01331	1.4
83.04989	1.4
83.08611	1.1
85.02904	0.6
85.06530	0.4
91.05470	2.4
93.07039	4.8
95.04971	7.4
95.08606	2.4
96.05281	0.3
97.06527	0.7
97.10153	0.6
98.03682	0.6
98.23454	0.5
98.97600	0.3
99.08095	3.7
105.03395	0.7
105.04555	0.4
105.07030	1.5
107.04948	0.9
107.08591	2.9
109.02879	0.8
109.06454	0.4
109.10147	1.3
111.04514	0.2
113.05991	0.4
113.09622	0.7
117.06982	0.3
119.04945	0.6
119.08564	1.5
121.02839	0.4
121.10159	2.4
123.04429	20.3
124.04739	0.7
125.05989	0.5
126.03132	6.8
129.07065	0.4
131.08524	0.5
133.06464	0.9
133.10100	1.0
135.11699	2.5
137.02287	0.4
137.05998	0.5
139.03911	2.3
140.04695	0.4
141.05460	25.6
142.05795	0.5
147.04407	0.9
147.08031	0.6
147.11678	0.4
149.13228	0.9
149.14304	0.3
151.03975	0.5
151.04980	0.9
151.11192	1.7
153.05424	1.6
153.12801	0.4
154.02602	3.9
155.03325	0.3
157.10165	0.3
161.06007	1.5
161.13225	0.9
163.07549	0.7
163.11180	0.6
163.14775	0.3
165.05414	0.3
168.04231	1.6
169.04958	100.0
170.05295	2.5
175.07521	0.8
175.14630	0.3
177.12718	0.4
179.07033	3.0
179.14304	9.3
183.06567	0.7
189.09151	0.3
193.08612	3.9
203.10561	0.3
207.10086	0.3
221.15366	0.4
231.17484	0.4
235.16777	0.4
241.15961	0.4
251.74818	0.3
259.16876	1.2
259.20688	0.4
277.21613	6.4
278.21997	0.3
291.19562	1.1
309.20557	11.8
309.24094	0.6
310.20874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01880	2.8
55.05511	12.7
57.03424	2.3
57.07071	2.9
59.05006	2.1
65.03958	1.6
67.05506	36.4
69.07060	16.5
69.47578	2.4
71.04984	1.6
71.08633	50.2
79.05492	30.9
80.94834	1.6
81.03411	6.7
81.07056	41.7
83.04986	9.6
83.08619	9.6
85.06562	2.9
88.01330	1.2
91.05473	20.1
93.07046	49.3
95.04453	1.7
95.04945	9.7
95.08018	2.2
95.08606	31.5
97.06543	9.7
97.10158	3.3
98.23477	2.2
98.97585	1.6
99.08095	42.8
105.07026	14.5
107.04949	4.6
107.08594	24.3
109.06523	3.6
109.10155	12.3
111.08095	2.8
113.09618	2.9
117.06984	3.7
118.06446	1.2
119.08579	12.3
121.06462	1.7
121.10144	25.0
123.04439	2.1
123.08057	2.7
123.11657	1.7
127.11170	2.2
129.06993	2.3
131.08559	4.3
133.10132	10.4
135.11693	33.6
137.09601	4.8
139.11211	1.7
141.05544	2.7
141.09114	2.8
143.08577	1.9
145.10114	4.0
147.11694	4.8
149.13280	10.5
151.11179	16.6
153.12747	3.6
159.11690	3.8
161.09473	1.3
161.13284	9.7
163.11148	6.1
163.14784	2.2
167.10722	1.6
169.05011	7.9
171.11697	2.1
173.13269	2.4
175.14819	2.7
177.12714	4.0
179.14302	100.0
180.14619	3.2
185.13173	1.5
189.12849	1.3
195.13899	2.4
199.81152	1.2
221.15353	4.6
235.16931	5.4
241.19441	2.6
259.20587	5.2
277.21628	62.8
278.21930	3.9
309.20718	2.5
309.24219	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	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03440	3.7
57.07073	6.5
61.02919	4.5
67.05495	9.5
69.03426	8.6
69.07051	1.9
71.04987	12.2
73.02898	1.1
81.03409	2.8
83.01348	1.0
85.02898	40.1
85.06551	5.5
87.04496	1.3
91.03954	2.2
95.04960	16.2
97.02889	8.9
99.04452	1.2
103.63097	0.7
107.04941	1.0
109.02856	2.8
110.32544	0.8
112.18098	0.8
113.06000	46.6
114.06274	1.3
115.19391	0.7
127.03887	7.4
131.07031	100.0
132.07339	1.6
133.02882	0.8
137.92950	0.7
138.03072	0.9
139.03877	4.2
140.04182	4.7
141.04352	4.2
142.04689	3.3
145.04947	16.2
147.04430	1.0
150.05479	1.2
151.03897	2.3
153.05507	1.8
154.30453	0.8
159.04436	2.3
162.03148	0.8
163.03928	0.9
163.05992	5.5
175.03841	3.8
177.01848	0.8
177.05548	1.1
179.03395	3.1
181.04941	10.7
187.03902	1.4
187.62450	0.9
191.03378	1.7
191.06964	1.0
193.04993	4.5
195.02853	1.8
197.04462	13.7
204.04114	0.9
205.04955	3.6
209.04459	3.9
215.03358	1.6
217.04782	1.2
219.06573	2.7
221.04424	5.2
223.02321	1.2
233.04445	3.4
235.06021	1.2
237.03853	1.4
247.06020	4.6
263.05469	6.2
265.07144	0.9
275.05423	4.1
281.06525	2.8
293.06473	4.3
293.12250	3.1
311.07507	5.4
311.10846	1.5
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	Unknow
Peak:m/z	Relative Intensity
51.46455	1.1
55.05517	6.2
57.03437	4.0
57.07065	1.3
59.05001	1.4
67.05500	22.8
68.05025	16.7
69.07072	5.2
69.72682	4.4
71.04985	5.7
79.05486	63.8
81.03401	14.1
81.03755	1.2
81.07046	18.3
86.06065	48.7
91.05492	7.9
92.67220	1.2
93.07040	9.7
95.04969	2.6
95.08607	41.2
98.06055	2.2
98.22697	2.5
105.07027	17.1
107.08585	100.0
108.08907	1.8
109.06512	4.6
109.10147	19.8
110.10505	1.4
114.05531	5.1
118.05608	1.2
119.08578	13.5
121.10124	8.6
123.08034	6.3
130.05006	10.7
132.06558	95.8
133.10124	9.5
135.11729	3.1
138.09192	1.7
148.11218	2.3
149.13248	86.0
150.13654	2.8
151.14810	21.1
160.06047	4.0
161.13242	25.4
166.12279	5.1
179.14310	33.1
179.15952	1.8
180.08778	6.4
182.92926	1.2
191.49112	1.1
212.12801	84.0
213.13223	3.2
222.18686	1.5
266.21216	1.5
278.21213	2.7
310.20081	56.5
310.23752	14.8
311.12830	2.2
311.20508	2.3
321.50650	1.3
323.28571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	2.6
57.03406	1.7
57.07052	0.7
67.05473	2.7
69.07067	7.3
72.04488	0.7
73.06516	1.6
79.05473	3.8
80.04944	1.7
80.05798	1.7
81.03403	1.0
81.07049	4.6
83.04919	1.0
85.06502	0.8
86.09686	2.1
87.04407	1.1
91.05439	1.4
93.07032	5.8
94.07367	1.7
95.04920	2.0
95.08569	3.2
97.06490	3.0
97.10151	1.2
98.06010	0.9
98.09669	1.5
98.97560	1.8
105.06979	2.3
106.07323	0.9
107.08572	2.8
108.08116	11.5
108.08833	1.5
109.06471	1.0
109.10136	1.1
110.09624	0.9
110.10406	0.8
114.06260	0.9
115.07517	1.0
116.98586	1.8
117.06942	0.8
119.08550	2.0
120.08900	0.7
121.10101	1.2
122.09673	6.2
122.10434	1.6
123.08018	0.8
123.10416	1.3
124.11256	0.9
125.09577	1.0
131.08542	0.8
133.10104	1.2
135.07959	1.0
135.11626	3.3
136.11183	3.1
137.12059	0.7
137.13187	0.9
137.71411	0.8
150.12766	17.6
151.13562	7.7
152.14352	6.5
159.11656	0.8
166.00417	0.8
173.17297	0.8
178.15825	1.2
180.10216	1.2
192.17404	1.6
194.11731	2.5
210.14941	1.3
212.12794	2.0
218.16241	1.1
220.20595	1.8
230.71202	0.7
236.16449	1.5
237.17102	0.9
264.19760	1.3
266.21127	100.0
267.21518	6.0
269.10754	0.7
274.18753	2.2
292.19833	3.6
310.23746	71.2
311.24252	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	310.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.2
56.05873	1.2
56.96548	1.4
67.05502	2.8
69.07078	5.9
69.16535	5.5
69.16947	2.2
70.06584	1.9
71.04992	12.7
73.06553	1.5
79.05474	5.9
80.04993	1.1
80.59473	1.1
81.07043	5.3
82.06572	2.0
83.04976	1.9
85.02901	4.4
86.03233	2.5
86.06060	1.5
86.09702	1.9
87.08143	1.3
91.05456	1.4
93.07019	5.4
95.08602	6.3
97.06542	2.3
98.06049	6.9
98.09702	1.7
101.06005	1.9
105.07009	1.7
107.08588	5.6
108.08137	13.4
109.10105	2.2
110.06063	1.4
110.09669	2.0
111.08044	1.5
111.35387	1.4
113.09620	3.0
115.07545	1.0
121.10136	3.5
122.09672	10.6
132.06599	2.1
135.11702	2.2
136.11230	3.8
138.73511	1.0
146.60417	1.2
149.13324	1.6
150.12776	18.5
151.13608	7.7
151.68439	1.1
152.14348	4.7
161.13229	1.1
163.14778	2.4
166.15897	3.4
179.14307	1.2
180.13834	52.6
181.14142	2.1
184.22667	1.0
192.17439	2.2
194.11800	1.5
195.17389	2.7
210.14890	1.5
211.70831	1.1
212.12845	3.5
212.16423	1.9
213.07982	2.7
218.11790	1.6
220.20497	3.0
222.18646	1.3
225.07820	1.5
231.09058	1.5
236.16368	2.7
243.09029	14.9
251.55556	1.2
261.07715	1.9
261.10025	9.2
264.19604	1.4
266.21164	100.0
267.21497	6.0
267.24179	1.1
268.22714	4.0
278.21167	3.2
291.80670	1.3
292.22787	4.6
310.20245	4.4
310.23755	95.7
311.14713	7.2
311.23975	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	310.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29806	0.5
55.05512	3.2
56.05036	0.8
56.52586	0.4
57.03434	0.6
61.02915	0.7
67.05507	2.6
68.05003	0.5
69.07056	2.2
70.06604	0.4
70.07380	0.5
71.04993	15.7
71.41795	0.4
71.42960	0.6
79.05497	5.3
80.05019	1.0
81.03401	0.6
81.07059	4.0
81.81953	0.4
82.06562	2.4
83.04971	1.1
83.08631	0.7
84.08138	0.6
86.06054	1.0
87.08089	1.0
91.05475	1.8
93.07053	3.7
93.20486	0.4
93.71439	0.5
94.07375	0.5
95.04937	1.1
95.07349	0.6
95.08616	3.2
96.08926	0.5
97.06529	0.6
98.06049	7.3
98.09682	1.4
99.06817	0.6
105.07023	2.8
107.04988	0.8
107.08596	4.5
108.08103	3.0
108.08883	0.9
109.10142	1.5
110.06038	2.9
110.09682	1.1
112.07601	2.0
113.09659	5.1
117.07018	0.5
117.65440	0.5
119.08590	2.4
121.10153	2.3
122.09676	2.9
122.10426	0.5
123.07936	0.6
123.10447	0.6
124.11211	0.8
131.08524	0.5
132.06548	1.4
133.10141	2.0
135.11674	0.9
136.11241	1.4
137.09608	0.7
138.12810	0.5
142.08566	0.4
143.08498	0.6
147.08052	1.1
149.13248	2.2
150.12775	4.0
151.09920	1.9
151.13557	1.3
152.10713	0.5
152.14339	2.0
161.09628	3.4
162.81941	0.5
163.14815	1.7
166.12329	0.5
174.36723	0.5
180.13832	100.0
181.14203	4.3
195.17407	2.7
210.14958	0.6
212.12799	3.5
215.85156	0.4
222.18555	1.6
240.14850	0.5
243.09102	2.0
248.20235	1.1
261.10138	2.1
266.21152	24.4
267.21426	1.6
268.22952	0.7
278.21213	2.9
287.11600	0.5
292.19702	0.9
292.22726	7.6
293.23044	1.0
310.20404	2.5
310.23752	39.7
310.27240	1.6
311.24130	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.8
55.01875	8.2
57.03440	7.0
61.02913	2.1
65.03938	1.6
67.05508	0.7
68.99781	1.3
69.03429	15.7
71.01343	1.5
73.02923	0.9
74.16241	0.8
77.03911	1.8
78.86608	0.7
79.05497	6.3
79.45721	0.8
81.03405	2.1
82.04198	0.7
83.01331	1.3
83.04966	1.5
83.11764	0.7
85.02907	12.2
85.05455	0.7
87.04436	0.9
89.03902	0.8
91.05470	4.0
93.03341	1.0
95.01305	0.9
95.04951	3.1
97.02905	2.3
97.06528	0.9
101.02412	1.0
103.03922	1.1
103.05469	3.5
105.03376	0.9
105.04459	0.9
105.07034	1.2
107.04946	3.0
109.02850	1.3
110.03645	1.5
110.05935	0.7
115.05435	2.4
115.07555	0.8
117.03367	0.9
118.04154	1.5
119.04935	10.3
120.02119	1.0
121.02871	1.7
123.04419	3.1
125.05997	4.0
127.03983	0.9
130.04118	1.8
131.04922	12.8
133.02844	7.5
133.06459	2.1
134.03589	1.3
135.04381	2.0
136.01558	0.9
137.02348	1.8
137.05991	1.3
138.03131	10.1
139.03851	1.1
141.05554	0.8
143.04877	1.3
145.02846	1.7
145.06470	1.6
146.03609	2.0
147.04408	18.3
148.05150	2.1
149.02328	3.0
149.05971	2.7
150.03119	10.6
151.03905	28.7
153.01839	1.2
153.05472	14.2
157.02933	1.2
157.06525	1.0
158.03616	1.7
159.04408	18.4
160.05025	0.8
161.02361	3.2
161.06006	2.1
162.03107	7.1
163.03935	5.8
164.04744	4.1
165.01813	1.8
165.05464	7.5
166.02637	8.3
167.03400	3.3
171.04362	2.2
171.06534	1.6
172.89378	0.7
173.02351	1.7
173.06064	1.2
174.03159	1.4
175.03909	26.5
175.05406	1.7
176.04675	10.6
177.01855	6.0
177.05450	14.1
178.02605	13.4
179.03392	39.5
179.06937	3.5
180.00551	4.3
180.03818	1.4
181.04951	97.7
182.02119	5.3
182.05261	3.2
186.03104	1.8
187.03914	10.0
188.04622	1.4
189.05530	1.9
190.02670	3.6
191.01779	0.6
191.03391	15.7
191.07022	5.2
192.04123	6.7
193.01382	4.0
193.04971	41.1
193.08655	1.2
194.02132	7.3
194.05397	1.0
195.02875	17.1
195.06456	1.7
196.03357	0.8
197.04456	100.0
198.04796	2.7
199.03960	2.9
201.01904	0.8
201.05464	1.8
202.02615	3.9
203.03378	6.3
203.07027	1.7
204.04189	10.9
205.01585	1.3
205.04956	30.9
206.02101	6.6
206.05417	2.2
207.02901	8.4
207.06500	10.9
208.03636	2.2
209.04454	42.5
210.04688	1.0
211.02341	8.2
211.05881	1.1
214.02641	2.0
215.03394	12.1
216.04169	4.3
217.04968	5.2
218.02051	3.2
219.03131	5.3
219.06517	25.8
220.03578	2.3
221.04445	47.0
222.04826	1.3
223.02419	11.2
223.05971	10.7
225.03986	4.0
227.03358	1.1
229.04861	3.9
230.02008	1.7
231.02907	5.9
231.06538	2.9
232.03636	5.6
233.04436	27.8
234.04860	1.3
235.02374	1.1
235.05989	11.4
237.03941	6.0
237.07564	1.0
239.05482	1.7
243.02971	5.1
245.04491	7.0
246.05026	1.3
247.06010	43.0
248.03329	0.8
248.06406	1.7
249.03963	9.1
251.05489	9.0
257.04453	7.1
260.03165	3.5
261.03836	1.7
263.05505	56.7
264.05865	2.3
265.07016	4.1
267.05023	2.3
275.05502	44.1
276.05798	2.0
281.06555	33.0
282.06943	1.1
293.06552	46.0
294.06903	2.3
311.07605	48.6
311.10712	1.8
311.15723	1.3
312.07971	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	311.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03435	0.7
59.04987	0.3
59.75225	0.4
61.02903	0.5
67.05500	0.9
67.13706	0.3
69.03420	2.6
69.07063	1.3
69.65111	0.8
69.65490	0.9
71.01357	0.6
72.08136	0.5
79.05483	1.0
82.30679	0.4
83.04967	0.4
85.02900	2.1
95.04979	0.9
97.02895	0.5
97.06530	0.6
98.22733	0.6
101.05977	0.6
103.05408	0.5
104.04966	0.8
110.06031	2.1
113.06009	0.6
115.05403	0.5
115.07529	1.8
119.04922	0.9
130.34726	0.5
131.04906	1.6
131.07016	0.8
132.04445	13.8
132.05472	0.7
132.07304	0.4
133.02856	1.2
133.08586	0.9
136.07578	0.5
137.05969	0.5
138.03125	1.1
140.07056	1.3
145.02872	0.6
145.30632	0.4
147.04402	2.1
150.03096	1.6
150.05507	1.3
151.03899	4.5
153.05440	2.0
159.04430	2.9
162.03101	1.0
163.03870	1.2
164.04625	0.4
165.05470	1.1
166.02658	1.0
169.28812	0.4
173.06248	1.1
175.03886	3.6
176.04654	1.6
177.01797	1.1
177.05466	1.4
178.02643	2.3
179.01903	0.7
179.03372	5.5
179.06947	0.6
180.00438	0.6
181.04948	13.4
182.02071	0.5
187.03914	1.6
190.02583	0.8
191.03354	2.3
191.06950	0.9
192.04111	0.9
193.01279	0.7
193.04953	5.1
194.02129	0.4
195.02919	2.4
197.04443	12.6
199.03867	0.5
202.02611	0.3
203.03368	0.6
204.04185	2.1
205.04929	3.2
206.02077	0.9
206.05241	0.4
207.02834	0.6
207.06525	1.7
208.03523	0.6
208.09532	0.6
209.04436	5.7
211.02385	1.2
214.02417	0.4
215.03421	1.5
216.04112	1.1
217.04916	1.0
219.02931	0.7
219.06473	4.2
220.03780	0.6
221.04453	7.3
223.02397	1.5
223.06012	1.7
225.03923	0.5
229.04942	0.7
231.02858	0.9
231.06540	0.6
232.03656	0.6
233.04456	3.5
235.06001	1.5
237.03960	1.1
243.02888	0.8
245.04439	1.1
247.06010	5.2
248.06252	0.7
249.03871	1.1
249.11113	0.6
251.05426	1.1
251.08827	0.4
257.04288	1.1
263.05502	8.4
264.05942	0.4
265.07291	0.7
265.10437	3.1
267.05023	0.5
267.07999	0.4
275.05481	5.8
281.06580	5.4
293.06531	5.7
293.15012	0.8
294.06885	0.5
311.07617	7.8
311.10962	100.0
312.07837	0.7
312.11261	5.2
312.18201	0.5
320.41226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.5
55.01870	2.2
55.05509	2.1
56.05045	1.0
57.03427	1.0
57.07066	1.0
60.04532	1.1
61.02936	0.9
63.12424	0.9
67.05499	2.9
68.05010	1.0
68.99795	0.8
69.03425	3.5
69.07056	3.1
69.39585	3.6
70.06587	2.3
70.52443	0.8
71.04983	3.4
72.04516	5.9
72.08127	0.8
73.02902	1.2
77.03925	1.6
79.05485	6.8
80.05011	4.6
81.03403	2.7
81.07063	5.9
82.06588	1.6
83.04980	1.0
83.08618	0.8
85.02886	6.5
87.04482	2.1
87.05597	1.8
88.03996	2.1
91.05479	5.0
93.07051	12.9
94.06525	1.6
94.94913	0.8
95.04957	3.2
95.08606	3.8
96.08128	1.4
97.02880	3.1
103.05474	1.2
105.07010	5.1
107.04942	1.8
107.07369	0.9
107.08616	4.4
108.08115	82.2
109.06521	1.1
109.08982	0.9
109.10140	1.6
110.09670	2.9
111.04400	0.8
111.08055	1.3
115.03925	2.1
115.05480	0.9
116.03452	1.2
116.07114	1.5
119.08601	3.8
120.08095	1.7
121.06500	2.4
121.08887	6.7
121.10123	2.4
122.09665	17.0
123.08062	1.5
123.10450	3.6
124.07603	2.1
127.03912	1.4
128.03429	1.1
131.08572	6.9
133.04973	2.8
133.10152	4.1
134.09659	3.4
135.04411	65.7
135.08017	1.4
135.10597	1.7
135.11687	14.3
136.04779	2.1
136.11201	8.1
137.06010	1.5
137.09590	1.3
137.13258	1.8
139.03951	1.0
140.07092	0.8
141.01768	0.8
141.10251	1.0
142.08688	1.0
143.08504	1.0
144.06543	1.2
148.11188	1.7
149.09605	2.7
149.11986	1.2
150.07692	1.4
150.12781	37.8
151.08669	2.1
151.13553	14.0
152.14333	6.9
153.05479	1.5
159.04494	1.3
161.09587	1.3
161.13239	2.2
162.12769	2.9
163.07492	1.2
164.14352	32.7
165.07860	19.6
165.09192	1.7
166.08623	2.6
166.15939	1.3
176.14340	1.1
178.15941	4.0
179.14250	1.3
181.04996	1.5
189.09085	1.9
190.12321	2.1
193.04964	1.1
194.11691	1.5
195.07678	2.6
196.06042	4.2
196.09706	1.7
196.16904	1.0
196.57794	0.8
197.04408	1.4
206.15395	1.5
207.08301	0.8
207.10159	2.2
208.13315	34.1
208.16899	1.7
210.14883	2.5
213.12392	0.9
214.07062	1.3
221.16489	6.1
222.14764	1.8
223.18042	15.0
249.15894	4.1
250.12009	1.3
250.14395	14.8
252.15852	1.9
267.17026	91.9
268.15433	48.3
268.19055	23.9
293.18561	3.9
294.16962	2.4
311.07532	2.3
311.11185	2.3
311.14365	6.1
311.19638	100.0
312.18048	38.3
312.21643	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	311.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.5
55.01870	2.2
55.05509	2.1
56.05045	1.0
57.03427	1.0
57.07066	1.0
60.04532	1.1
61.02936	0.9
63.12424	0.9
67.05499	2.9
68.05010	1.0
68.99795	0.8
69.03425	3.5
69.07056	3.1
69.39585	3.6
70.06587	2.3
70.52443	0.8
71.04983	3.4
72.04516	5.9
72.08127	0.8
73.02902	1.2
77.03925	1.6
79.05485	6.8
80.05011	4.6
81.03403	2.7
81.07063	5.9
82.06588	1.6
83.04980	1.0
83.08618	0.8
85.02886	6.5
87.04482	2.1
87.05597	1.8
88.03996	2.1
91.05479	5.0
93.07051	12.9
94.06525	1.6
94.94913	0.8
95.04957	3.2
95.08606	3.8
96.08128	1.4
97.02880	3.1
103.05474	1.2
105.07010	5.1
107.04942	1.8
107.07369	0.9
107.08616	4.4
108.08115	82.2
109.06521	1.1
109.08982	0.9
109.10140	1.6
110.09670	2.9
111.04400	0.8
111.08055	1.3
115.03925	2.1
115.05480	0.9
116.03452	1.2
116.07114	1.5
119.08601	3.8
120.08095	1.7
121.06500	2.4
121.08887	6.7
121.10123	2.4
122.09665	17.0
123.08062	1.5
123.10450	3.6
124.07603	2.1
127.03912	1.4
128.03429	1.1
131.08572	6.9
133.04973	2.8
133.10152	4.1
134.09659	3.4
135.04411	65.7
135.08017	1.4
135.10597	1.7
135.11687	14.3
136.04779	2.1
136.11201	8.1
137.06010	1.5
137.09590	1.3
137.13258	1.8
139.03951	1.0
140.07092	0.8
141.01768	0.8
141.10251	1.0
142.08688	1.0
143.08504	1.0
144.06543	1.2
148.11188	1.7
149.09605	2.7
149.11986	1.2
150.07692	1.4
150.12781	37.8
151.08669	2.1
151.13553	14.0
152.14333	6.9
153.05479	1.5
159.04494	1.3
161.09587	1.3
161.13239	2.2
162.12769	2.9
163.07492	1.2
164.14352	32.7
165.07860	19.6
165.09192	1.7
166.08623	2.6
166.15939	1.3
176.14340	1.1
178.15941	4.0
179.14250	1.3
181.04996	1.5
189.09085	1.9
190.12321	2.1
193.04964	1.1
194.11691	1.5
195.07678	2.6
196.06042	4.2
196.09706	1.7
196.16904	1.0
196.57794	0.8
197.04408	1.4
206.15395	1.5
207.08301	0.8
207.10159	2.2
208.13315	34.1
208.16899	1.7
210.14883	2.5
213.12392	0.9
214.07062	1.3
221.16489	6.1
222.14764	1.8
223.18042	15.0
249.15894	4.1
250.12009	1.3
250.14395	14.8
252.15852	1.9
267.17026	91.9
268.15433	48.3
268.19055	23.9
293.18561	3.9
294.16962	2.4
311.07532	2.3
311.11185	2.3
311.14365	6.1
311.19638	100.0
312.18048	38.3
312.21643	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	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.72573	6.5
50.81124	8.1
55.01870	12.7
55.05499	35.2
57.03431	9.8
57.07068	37.0
65.59389	5.8
65.87024	6.6
67.05508	54.0
67.60256	6.2
69.07067	23.3
79.05499	27.4
81.03379	7.8
81.07051	38.9
83.08651	10.4
85.06541	6.9
91.05470	22.1
93.07043	29.4
95.08610	100.0
97.06507	10.2
97.10178	10.5
104.81331	6.7
105.06981	7.9
107.08591	11.4
109.06556	7.9
109.10146	10.7
111.04456	13.5
111.08030	8.2
121.10130	16.4
125.09656	24.8
153.05484	17.2
159.10152	30.4
163.14816	8.6
173.13249	8.5
173.95062	7.5
180.69377	7.1
209.11719	79.8
216.90683	10.6
225.71361	7.1
237.11203	63.6
255.12262	12.1
265.21609	46.7
275.20038	19.5
293.20996	15.3
311.25745	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.02305	1.3
53.03936	3.1
55.01876	11.0
55.05511	37.2
56.05025	1.9
57.03431	4.7
57.07081	12.7
62.91812	1.3
67.05503	58.6
69.03426	4.5
69.07066	28.3
69.24638	6.3
71.04996	7.4
71.08640	5.1
79.05489	28.1
81.03423	6.4
81.06573	2.7
81.07052	55.0
83.04965	12.3
83.08620	23.9
83.54781	1.4
85.06548	5.6
85.10193	4.3
87.27200	1.5
91.05475	20.3
93.07041	30.4
95.04968	19.9
95.08607	39.7
95.09216	2.2
96.08949	1.9
97.02908	3.7
97.06506	7.8
97.10175	6.5
98.09667	3.0
98.22706	3.5
98.97564	1.9
99.04462	6.7
99.08076	2.7
105.07018	25.9
106.07368	1.7
107.04922	8.7
107.08594	29.0
109.06516	6.1
109.10148	31.9
110.10498	2.1
111.04443	22.7
111.08079	6.2
113.09670	2.2
117.07041	6.3
119.08578	14.4
121.06497	6.1
121.10146	16.4
123.08080	7.3
123.11697	10.4
124.11224	15.1
125.06063	2.6
125.09633	6.3
126.09174	2.8
131.08565	9.7
133.10130	24.5
134.10588	1.6
135.08072	3.0
135.11697	16.9
137.09602	9.9
137.13297	1.7
145.06573	1.9
145.10144	9.8
147.08031	1.7
147.11664	8.7
149.09618	14.8
149.13260	5.5
151.11151	9.0
153.12733	4.2
159.11720	5.3
161.13255	3.4
163.11174	12.6
163.14816	3.6
165.09142	1.8
165.12726	3.1
167.10695	3.7
169.10138	1.9
169.12265	4.3
173.13293	3.2
175.11214	1.9
177.12779	5.2
177.16393	2.0
179.10651	2.0
179.14377	1.4
181.12222	4.8
183.11708	2.9
187.11229	2.3
191.10643	3.4
191.14354	2.2
193.12329	1.7
195.13808	1.9
197.61237	1.6
201.12772	1.9
205.12090	2.0
205.19598	2.0
209.11694	11.7
219.13887	2.3
219.21188	2.3
223.13225	8.0
225.14786	1.7
229.19569	4.3
233.18987	1.9
237.11211	11.8
239.18053	2.6
247.20625	13.8
255.12180	2.1
257.19003	7.2
265.21616	8.8
275.17068	3.2
275.20041	51.9
276.20425	2.8
293.21075	100.0
294.21375	8.0
311.22211	6.8
311.25656	2.6
312.15521	2.5
312.25281	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.05947	1.4
53.03942	4.6
55.01875	97.8
55.05514	52.0
57.03439	5.7
57.07084	10.0
65.03916	2.7
65.34568	1.5
67.05164	3.3
67.05508	51.6
67.05869	3.4
68.05840	1.9
69.03433	4.0
69.06750	2.4
69.07069	21.0
70.06577	3.0
71.04980	5.0
71.08640	9.4
79.05495	29.5
81.03409	9.8
81.07064	44.7
83.04981	11.1
83.08627	11.5
85.06565	3.1
88.07642	3.0
91.05479	21.2
93.07049	28.5
93.48481	1.7
95.04974	18.7
95.08608	36.9
97.06523	3.9
97.10168	14.1
98.22718	4.7
99.04446	1.5
99.08091	5.3
102.09220	1.8
105.07044	9.7
107.04968	14.5
107.08588	14.7
109.06509	8.3
109.10172	18.3
111.04459	4.7
111.08094	3.2
117.07018	6.0
119.08595	15.4
119.41087	1.6
121.06467	4.6
121.10166	10.5
123.04441	2.4
123.08081	8.4
123.11699	3.7
125.09636	100.0
126.09957	2.4
131.08569	12.4
133.10132	9.3
135.08063	14.5
135.11697	8.1
137.09613	15.4
137.13248	1.9
139.11188	2.8
141.06950	2.7
145.10110	7.2
147.08075	3.6
147.11662	2.2
149.09595	7.5
149.13252	4.0
151.11179	22.6
153.12685	3.0
159.08177	1.8
159.11687	6.5
159.64401	1.8
161.09636	4.1
163.11108	7.8
163.14865	3.6
167.10689	3.6
169.10091	2.1
169.12149	2.3
173.09572	1.8
173.13199	3.7
177.12767	19.9
181.12250	8.0
184.62997	1.6
187.11166	3.8
191.14348	9.7
193.12189	1.9
195.13786	5.9
201.16351	3.1
209.11755	10.8
219.17317	3.6
229.19458	6.7
237.11226	5.9
239.17844	1.7
247.20535	4.4
255.12270	1.8
257.19058	11.5
259.93973	1.8
275.20023	34.8
276.20352	2.8
293.21051	35.5
294.21371	2.4
311.17651	6.4
311.22128	3.4
311.25696	2.1
312.25623	2.3
312.32587	16.6
329.53735	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01864	6.3
55.05510	16.2
57.03444	3.3
57.07069	5.1
67.05505	16.4
68.05830	1.6
69.03425	1.7
69.07057	10.8
71.00835	1.3
71.05003	1.8
71.08642	1.9
71.44814	1.9
74.60392	1.3
75.52142	1.2
77.03909	1.6
79.05497	7.8
80.94835	2.8
81.03426	3.4
81.07050	17.2
83.04977	4.2
83.08615	9.3
85.02910	1.4
85.06538	2.5
91.05493	11.5
93.07027	8.4
95.04956	6.7
95.08607	10.2
97.06522	2.2
97.10148	2.8
98.97575	2.3
103.45549	1.4
105.07027	10.6
106.72112	1.6
107.08614	7.4
109.06523	1.8
109.10162	13.9
111.04432	3.4
111.08098	1.7
113.09527	1.9
116.98630	2.2
117.07047	2.0
119.08568	5.0
121.10149	3.4
123.08054	1.9
123.11704	3.5
125.05997	3.6
125.09631	4.1
131.08543	3.2
133.10149	13.9
135.04414	100.0
135.11691	3.2
136.04776	3.2
137.09612	3.2
145.10156	2.6
146.07274	3.3
149.09608	2.5
151.11142	9.4
153.05458	2.7
153.12775	1.8
161.09621	44.7
162.09956	2.4
163.11220	2.1
169.12280	3.4
181.04929	2.5
209.11678	10.2
237.11211	9.3
247.20581	3.0
255.12328	2.6
257.18927	2.6
275.20016	10.9
293.21063	16.2
311.16254	2.3
311.25848	8.0
312.32584	20.3
334.12238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.64092	1.5
53.03929	1.9
55.01875	6.1
55.05509	36.5
57.03440	3.5
57.07076	3.5
57.33432	1.4
60.09005	1.6
64.74802	1.7
65.03930	3.3
67.05503	78.4
69.03425	3.8
69.07063	33.4
69.61335	3.9
69.61658	2.4
71.04977	6.9
79.05043	2.7
79.05494	36.9
81.03420	4.3
81.07053	64.6
83.04980	7.5
83.08622	18.0
85.06535	5.6
91.05470	29.9
91.63962	1.6
93.06458	2.9
93.07042	41.1
95.04949	13.3
95.08603	50.7
96.08953	2.2
97.06535	7.7
97.10172	13.9
98.22686	3.1
99.08096	3.9
103.30697	2.0
105.04571	1.9
105.07020	36.6
106.22610	2.0
107.04956	6.9
107.08591	35.0
108.08928	2.2
109.06530	6.4
109.10149	37.9
111.08087	6.6
115.05413	2.2
117.07042	11.6
119.08575	30.2
121.06495	5.3
121.10143	20.9
123.08083	7.8
123.11706	6.9
125.09621	11.9
129.07028	1.9
131.08566	17.9
133.10112	28.8
135.08046	5.3
135.11679	8.7
137.09579	8.7
137.13278	2.1
139.11209	3.9
140.20457	1.7
143.08554	3.5
145.10104	14.0
147.11674	16.4
149.09615	8.0
149.13260	6.6
151.11145	3.9
155.08665	2.3
155.10722	2.8
157.10130	4.7
159.11650	11.3
161.13268	4.6
163.11198	6.1
163.14751	2.2
165.12752	3.0
165.60706	1.8
167.10667	2.0
169.10146	2.9
171.11636	3.3
173.11742	22.4
173.13239	5.6
175.11134	3.3
177.12717	3.4
183.11552	2.5
184.20862	1.9
187.11179	4.1
187.14824	2.7
189.11206	9.5
195.13792	4.9
197.13280	4.1
199.14934	2.3
206.59511	2.0
229.19542	3.6
235.16817	3.4
239.17937	7.7
247.20517	3.1
257.19037	13.7
265.21683	3.6
275.20053	100.0
276.20511	6.3
293.21115	21.3
304.92059	1.9
311.14798	11.3
311.21823	2.2
311.28922	2.0
312.15634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03939	1.4
55.01881	0.8
55.05511	42.7
57.03438	17.0
57.07076	21.6
59.04979	0.9
67.05501	5.6
69.03390	0.8
69.07068	47.2
69.26864	2.6
70.07415	0.7
71.05003	0.7
71.08224	0.6
71.08631	12.1
73.06538	0.7
75.04464	0.8
79.05479	4.4
81.07054	9.0
83.04967	1.2
83.08620	40.1
85.06549	0.5
85.10174	4.7
93.06505	0.9
93.07041	6.3
95.08594	6.5
97.06541	4.4
97.10166	29.3
101.82015	0.5
107.08582	3.6
109.10151	2.6
111.08081	1.4
111.11716	8.9
121.10165	4.8
123.11681	0.7
125.09631	2.1
125.13262	2.6
135.11671	3.8
139.11185	1.0
149.13219	2.5
153.12773	0.9
163.14838	1.0
177.16431	0.6
178.87192	0.5
209.11771	1.0
219.21123	1.6
237.11208	1.7
237.22018	0.8
247.52580	0.5
311.25787	100.0
312.26120	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.85066	0.5
53.03941	0.9
55.01856	1.3
55.05513	47.9
56.05843	0.8
57.03440	18.3
57.07076	23.6
67.05503	6.2
69.07069	48.4
69.20282	1.5
69.20691	1.8
70.07386	0.8
71.04979	0.8
71.08272	0.9
71.08632	13.2
75.04501	0.5
79.05495	3.9
81.07060	7.1
83.04948	1.4
83.08622	45.6
84.08947	1.8
85.10176	5.8
93.07054	4.6
95.08616	6.5
97.06535	5.0
97.10172	29.0
107.08603	3.9
109.10154	3.0
111.08070	2.2
111.11724	8.8
121.10149	5.7
123.11694	1.2
125.09628	2.1
125.13255	2.2
135.11699	4.4
137.13272	0.8
139.11147	1.3
149.13249	1.6
153.12732	1.3
163.14850	1.2
177.16360	0.9
219.21037	1.7
237.11217	0.8
237.22116	1.1
267.89285	0.6
278.96240	0.6
311.25797	100.0
312.26117	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	312.1074
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
53.03914	0.4
57.03442	0.6
59.04987	0.5
69.03427	1.0
69.07072	4.1
70.06516	1.2
73.06552	1.9
73.40672	0.4
79.05482	0.4
85.02895	2.1
95.04962	0.7
97.06531	1.7
98.23373	0.4
98.97575	0.8
101.06029	0.5
104.04995	4.6
105.85626	0.4
113.99465	0.4
115.07568	8.8
116.98576	0.6
117.92043	0.4
127.03914	0.5
128.07133	0.5
132.04445	100.0
133.04797	3.6
133.08559	2.9
136.59851	0.4
150.05496	9.3
151.03870	0.8
152.04225	0.6
176.04250	0.5
179.03326	0.5
181.04955	1.8
182.05295	1.7
190.27777	0.4
192.03812	0.5
193.04922	0.4
194.05330	0.5
197.04500	1.2
198.04752	1.5
203.03131	0.4
204.88150	0.4
205.04822	0.5
206.05302	0.8
209.04323	0.5
210.04704	0.5
220.06804	0.5
222.04768	1.1
224.12822	0.6
224.33055	0.4
227.64577	0.4
234.04947	0.6
235.06000	0.8
247.06082	0.5
248.06596	0.4
255.37843	0.4
264.05823	1.0
266.10690	0.5
268.15344	1.0
276.05777	1.0
293.56345	0.4
294.06812	1.0
312.07770	1.1
312.11273	11.7
312.18433	1.9
313.08707	1.8
313.12421	2.3
313.15692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91673	1.2
55.01870	2.0
57.03432	16.0
59.04988	4.0
60.04509	4.6
69.03427	62.6
73.02914	7.7
78.82227	1.2
81.03420	1.8
85.02898	40.9
87.04466	54.5
91.05479	1.3
94.07346	1.3
97.02891	45.0
98.03172	1.4
99.04456	1.5
103.01859	1.4
107.08628	1.4
115.03928	84.9
119.33311	1.4
127.03922	5.0
132.96315	1.3
133.04962	100.0
134.05315	3.0
145.03864	1.4
145.04947	4.9
150.06482	2.6
150.07614	31.2
151.03952	1.7
162.09930	2.5
163.06071	1.9
166.05624	1.2
177.50409	1.3
180.08621	10.5
223.06079	2.1
241.06996	2.2
259.08145	4.4
277.09204	1.7
295.10205	6.8
312.12781	19.8
312.15939	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	312.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03739	0.5
53.03954	5.7
55.01871	1.9
57.03448	4.1
61.02930	4.6
67.96814	0.6
69.03064	0.8
69.03429	11.2
70.05716	1.6
71.04635	1.0
71.04996	13.9
71.05397	0.7
73.02930	2.5
74.09754	0.6
78.92580	0.5
81.03416	4.5
82.85542	0.5
85.02909	52.4
86.03241	0.8
87.04474	3.1
91.03955	3.3
97.02897	14.0
97.06549	0.6
98.03304	0.6
99.04461	2.2
105.05509	1.8
109.02867	3.5
109.05109	0.6
110.86676	0.5
115.03920	4.5
121.98798	0.5
122.02489	0.5
127.03922	12.6
133.04980	70.2
134.05281	1.4
145.04967	26.9
146.05186	0.8
150.07756	100.0
151.08125	1.8
163.06044	6.8
178.75616	0.6
219.02037	1.8
240.70760	0.6
295.10287	1.5
312.13019	36.1
313.13254	1.9
330.08731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.0
55.01881	2.5
55.05512	3.3
57.03442	5.6
57.84657	0.9
61.02924	9.7
69.03432	15.7
69.07069	9.9
70.68844	1.6
71.04991	1.6
73.02924	5.1
73.06558	1.2
81.03425	4.3
85.02906	100.0
86.03248	1.4
87.04484	2.4
87.08107	19.1
91.03949	6.5
97.02893	23.9
97.03493	1.7
98.03181	0.9
99.04437	2.8
103.03923	1.1
105.09146	2.0
107.01056	0.9
109.02895	6.1
115.03911	1.3
115.07583	8.1
119.04977	1.4
127.03915	25.0
132.05318	1.0
133.08603	10.1
145.04958	46.4
147.04437	1.5
148.04759	1.2
150.05537	1.9
150.84216	1.0
151.03761	1.6
152.04245	1.6
157.37051	0.9
160.04721	0.9
162.03203	0.9
163.06024	12.6
168.13252	1.0
176.04179	1.4
177.05246	1.0
180.03767	1.9
180.08635	1.5
181.04976	4.5
182.05316	5.2
192.03828	1.4
193.04877	1.7
194.05354	1.8
195.02638	1.1
197.04442	4.1
198.04759	6.6
206.05426	1.6
207.06459	1.5
209.04390	1.1
210.04808	2.6
220.06915	2.8
222.04761	3.6
234.04813	1.9
235.05983	2.7
247.06067	1.8
248.06326	3.0
264.05807	4.4
276.05832	3.1
282.06912	2.6
294.06918	3.6
312.07965	3.3
312.18076	1.3
313.09030	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	312.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
57.03416	0.4
67.05482	1.3
68.05011	0.5
69.07059	1.8
69.60059	1.3
69.60429	0.7
70.02966	0.5
71.01318	0.4
73.02910	0.5
74.02422	0.5
79.05492	1.9
80.05024	0.9
81.07064	1.8
83.08597	1.2
86.02415	0.6
88.03995	3.0
91.05464	0.8
93.05774	0.5
93.07035	5.1
94.06551	0.8
95.07366	0.4
95.08591	1.1
97.02849	0.6
98.22753	0.8
100.03979	1.3
105.07024	1.8
107.08592	2.8
108.08119	23.7
109.08955	0.7
109.10114	0.7
110.09673	1.2
115.03885	0.4
116.03452	1.2
119.08574	1.1
120.08099	0.6
121.08859	0.4
122.09669	11.8
123.10448	0.9
124.07646	0.5
128.03438	1.1
133.10156	1.2
134.09637	0.9
135.04436	1.0
135.11690	5.2
136.04733	1.1
136.11209	3.9
138.05449	0.4
146.04469	0.9
148.11122	0.4
150.12785	23.6
151.13582	10.5
152.07091	0.6
152.14238	0.7
153.12726	0.6
161.13197	1.0
162.12776	1.8
164.14281	0.6
165.07892	0.8
166.08496	0.8
166.12340	0.7
166.87215	0.4
168.10225	0.7
171.23940	0.4
176.14294	0.6
178.15887	1.8
179.14433	0.4
180.10172	1.6
190.12358	0.5
193.04903	0.4
194.11749	1.5
195.12254	0.3
196.06020	3.6
196.09705	0.5
197.90518	0.4
208.13339	2.9
213.96228	0.4
214.07166	0.9
214.10826	0.6
222.14879	1.5
224.09244	1.1
226.10741	0.7
238.10661	2.1
250.14549	0.9
266.13849	1.2
268.15427	100.0
269.15753	4.9
270.16968	2.1
312.18030	65.8
313.18414	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	312.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20284	0.5
55.05508	3.4
56.05037	0.5
57.03453	0.5
57.07074	0.9
62.13455	0.5
64.07810	0.5
68.05010	0.9
69.03423	0.9
69.07065	4.1
70.06589	2.9
70.08389	1.0
71.01360	0.6
71.04987	8.9
72.08134	1.8
73.02903	0.5
74.02425	0.6
79.05492	4.7
80.05009	3.0
81.07052	3.0
82.06567	1.1
83.08606	1.7
85.02912	1.7
88.04003	2.5
91.05444	1.5
92.40702	0.5
93.05791	0.6
93.07030	6.5
94.06567	1.8
95.05016	0.5
95.07311	0.6
95.08605	2.2
96.08141	0.6
97.07657	0.7
98.06042	0.8
98.09695	0.6
98.97574	0.8
100.03954	0.7
100.07596	0.5
100.11229	0.6
105.07032	1.0
106.05167	0.4
107.08588	4.0
108.08109	41.6
109.06529	0.7
109.08897	1.5
109.10121	1.0
110.09682	3.2
111.08085	0.9
114.10284	1.4
116.03445	1.0
116.07055	1.1
120.08052	1.1
122.09657	20.2
123.10497	4.0
124.11230	0.8
128.07056	0.6
133.04968	0.7
133.10118	1.1
135.11681	5.4
136.11198	7.5
138.05493	0.7
142.08604	0.6
148.11157	0.6
150.12767	39.6
151.03981	0.9
151.13559	18.5
152.14340	11.3
153.12759	1.0
158.47487	0.5
160.38673	0.6
161.13206	0.6
162.12776	1.6
166.08607	1.5
168.10153	0.5
168.13690	0.5
176.14317	0.7
178.15878	1.6
180.10168	1.5
181.04961	3.7
189.05399	0.8
190.12247	0.6
194.11713	1.4
194.15410	0.9
196.06053	1.9
196.09669	1.9
196.13297	0.5
198.07471	0.5
208.13277	3.4
214.10744	0.6
214.14192	0.7
222.14925	2.2
222.18617	0.4
224.09216	1.1
224.12737	0.7
226.14421	0.7
238.10716	2.1
238.14392	1.6
239.11414	0.8
250.14282	1.3
250.17979	0.7
253.08549	0.6
266.13870	0.6
268.15430	100.0
268.19031	81.0
269.15741	5.7
269.19345	3.9
270.16946	1.9
270.20612	1.4
270.28287	0.5
294.17105	0.5
312.18002	66.6
312.21667	82.9
313.10455	2.2
313.18307	3.4
313.21979	4.6
328.13046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.9
55.78828	0.3
56.05012	0.4
57.07063	0.7
60.45621	0.3
65.70856	0.4
68.05022	0.8
69.03422	0.6
69.06720	0.3
69.07068	4.8
70.06586	2.6
70.38379	0.6
71.04993	10.1
79.05479	1.5
80.05015	1.6
81.07036	1.9
82.06589	0.8
83.08618	2.4
84.08104	0.4
85.02884	0.4
87.04446	0.4
88.07607	0.4
91.05471	0.6
93.07048	2.6
94.06578	0.9
95.07356	0.4
95.08599	1.5
96.08102	0.8
97.02889	0.6
98.06020	1.0
98.09689	1.6
99.04421	0.4
100.07635	0.6
105.07018	0.7
107.08600	1.7
107.74908	0.3
108.08118	14.5
109.08907	1.1
109.10160	0.6
110.09676	1.4
111.08060	0.7
115.03938	0.4
116.07100	2.2
116.63599	0.4
120.08068	0.4
122.09666	8.3
123.10431	1.4
123.11759	0.4
124.11226	0.5
128.94016	0.3
133.04965	0.6
133.10135	0.6
135.11685	2.2
136.11217	3.0
142.08574	0.5
148.11235	0.4
150.12781	19.9
151.03957	0.5
151.13567	8.5
152.14346	11.2
153.12733	1.1
153.15105	0.3
161.13211	0.4
166.12328	0.3
179.14334	0.5
181.04964	0.7
194.15390	1.3
196.09688	1.3
196.13269	0.4
196.16940	0.7
200.12756	0.3
214.14331	1.3
222.18550	0.5
224.12903	0.5
238.14360	1.5
239.27686	0.3
250.18028	0.7
266.17535	1.2
268.19070	100.0
269.19415	5.6
270.18085	0.4
270.20624	2.9
312.07922	1.2
312.21671	72.5
313.21985	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	313.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04213	0.3
56.96560	0.5
58.06577	0.3
58.74984	0.3
65.03931	0.5
69.07079	0.6
70.86654	0.6
80.64904	0.4
94.06569	0.5
95.08620	0.4
98.97576	1.8
100.11233	0.5
108.02077	0.7
109.02686	0.4
111.04453	0.6
116.98606	0.9
121.03970	0.4
122.06055	0.7
124.04951	0.6
134.99654	0.6
140.07059	1.1
151.03896	10.7
152.04195	0.4
154.02557	0.4
156.08405	0.7
174.05487	0.6
198.05063	0.6
210.11090	0.4
213.73557	0.4
277.71469	0.4
290.94736	1.1
295.07870	0.9
313.08923	100.0
314.09329	4.7
327.33029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.2
57.03427	6.7
61.02924	9.2
61.39683	1.2
67.21952	1.2
69.03419	6.1
69.18972	7.8
71.01340	1.6
73.02908	3.5
77.03957	1.3
77.21082	1.2
79.05484	2.1
79.39211	1.3
81.07039	1.8
83.01342	8.5
85.02905	15.8
91.05480	9.4
91.05974	1.4
91.55890	1.1
95.04959	2.9
97.02892	2.8
98.38416	1.3
103.03960	16.0
103.05434	2.2
105.07032	9.7
107.04980	2.1
109.06506	3.9
115.05461	3.4
116.34071	1.3
117.07031	3.6
117.31890	1.2
119.04942	5.4
121.06506	41.3
123.04371	1.3
128.06227	2.1
129.07010	4.3
131.04930	9.9
133.06508	10.4
135.04391	8.2
135.08057	4.2
137.05986	7.9
141.07004	2.9
143.04837	1.3
144.05724	2.0
145.06488	8.7
147.04431	8.7
147.08040	4.3
149.05983	32.1
151.03912	2.6
157.06461	3.6
159.05573	3.7
159.07991	2.2
160.05171	4.9
161.02383	1.5
161.05980	37.8
163.03888	13.0
163.07555	7.1
165.05473	27.3
169.06483	5.8
173.05956	4.9
175.03912	43.6
175.07518	11.3
176.04666	2.8
177.05473	15.4
179.03401	18.2
179.06900	2.5
181.04948	30.9
185.05942	5.2
189.05466	81.9
190.05824	3.7
191.03381	6.6
191.07050	8.5
193.04965	78.8
194.05313	2.1
197.05978	2.9
201.05461	12.2
203.03401	2.4
203.07027	11.3
205.04968	100.0
206.05284	3.0
207.02890	13.6
207.06487	6.6
209.04478	6.1
213.05473	7.8
215.07071	4.0
217.04964	56.8
218.05345	2.1
219.06505	5.6
221.04416	3.6
229.05006	7.8
231.06523	21.2
233.04480	6.8
235.06003	79.5
236.06221	1.8
241.04988	6.7
247.06003	36.0
249.07697	1.6
259.06015	19.9
265.07043	7.0
277.07034	25.2
295.08112	8.2
313.09021	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48515	1.4
55.01871	4.1
57.03436	5.0
61.02933	10.0
65.76403	1.6
69.03437	6.7
70.55305	1.9
73.02915	4.1
77.03937	2.3
79.05500	3.4
83.01339	8.4
83.55770	1.4
85.02908	22.3
87.04462	3.3
87.62138	1.5
91.05466	9.7
95.04960	3.4
97.02909	4.8
98.97592	3.2
100.11256	2.2
103.03946	23.1
103.05452	1.9
105.04577	1.5
105.07030	7.7
107.05002	1.6
109.06532	4.9
115.05466	4.5
117.07017	5.2
119.04952	2.1
119.08612	1.9
121.06503	42.1
122.06850	1.5
123.04462	2.3
128.06230	2.3
129.07045	3.7
131.04919	13.0
131.08539	1.8
133.06517	10.7
135.04399	9.8
135.08087	2.9
137.05977	8.2
141.07021	2.8
145.06508	7.9
147.04399	11.3
147.08057	4.7
149.05981	33.4
150.06302	1.5
151.03990	3.3
151.07545	4.5
157.06474	2.0
159.04381	2.8
159.05597	4.0
160.05183	4.7
161.05989	36.0
163.03914	13.0
163.07565	7.5
165.05482	29.8
166.87733	1.4
168.17406	1.6
169.06519	4.8
173.05977	3.7
174.06647	1.7
175.03899	36.3
175.07463	7.6
176.04640	2.3
177.05466	14.2
179.03415	16.7
179.07011	2.1
181.04945	39.9
185.05972	4.7
187.07547	1.9
188.04633	2.1
189.05461	91.6
190.05896	3.5
191.03430	5.9
191.07031	5.9
192.04016	1.6
193.04964	84.5
194.05357	3.1
197.05966	2.0
200.04762	1.6
201.05449	11.2
203.03386	4.0
203.07002	14.9
205.04967	100.0
206.05338	4.5
207.02896	14.5
207.06538	9.0
209.04529	5.3
213.05460	8.8
215.06934	1.9
217.04962	58.3
218.05295	2.9
219.06447	7.2
221.04468	2.4
229.04977	6.8
231.06531	29.1
233.04500	6.5
235.06009	94.7
236.06288	4.3
241.04921	8.3
247.06038	36.8
259.06052	23.8
265.07089	7.0
277.07025	27.3
295.08096	6.2
313.09177	2.5
313.16086	2.1
313.24713	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
55.05524	11.1
57.07067	8.5
65.03940	2.9
67.05505	5.2
69.03423	2.6
69.07060	8.1
69.51682	5.9
71.08615	3.2
79.05476	2.0
81.03397	2.9
81.07057	5.2
83.08607	4.4
85.10168	2.7
91.05458	3.6
93.07040	2.2
95.04987	5.3
95.08612	5.2
97.10220	2.3
98.97570	5.3
105.07056	4.5
107.04935	2.2
109.10100	2.3
111.04446	13.0
116.98584	3.2
119.04929	6.8
119.08604	1.9
121.02856	3.5
123.04430	30.0
127.03917	47.5
133.06483	12.0
137.05994	3.3
139.03900	93.2
147.04388	8.7
147.08066	8.9
149.06009	3.9
151.03935	12.7
151.07515	3.2
153.05402	4.7
155.03386	100.0
156.03609	2.3
161.05989	15.9
163.07530	5.6
164.49673	1.8
165.05475	34.3
175.07541	5.2
179.07028	43.9
189.09116	4.3
193.08673	2.1
202.53911	2.0
203.17998	2.7
221.18965	1.9
231.17435	7.0
249.18480	13.0
259.16956	9.9
269.42090	2.0
277.17978	22.8
290.94687	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.6
57.03441	18.3
57.07078	58.6
58.07417	0.5
65.03922	0.5
66.12766	0.4
67.05511	10.0
69.07071	10.1
69.35056	1.9
71.04998	0.5
71.08635	36.3
72.08978	0.6
75.04523	0.9
75.23292	0.4
76.31721	0.4
79.05504	1.1
81.07059	14.7
82.07430	0.5
83.05006	0.6
83.08625	10.9
84.08968	0.4
85.06543	1.0
85.10183	19.6
85.64734	0.4
86.10548	0.5
89.06051	3.0
93.07061	0.9
95.08611	19.3
97.10173	5.5
98.97598	1.5
99.08150	0.5
99.11742	0.8
100.54067	0.4
103.07587	2.7
107.08619	0.5
109.10155	8.8
111.11728	1.2
112.94653	0.4
113.70325	0.4
116.98628	0.9
117.09106	1.0
121.10216	0.4
123.11716	3.2
125.13290	0.5
131.10712	0.5
135.11630	0.4
137.13271	1.6
139.14857	0.4
151.14848	0.7
173.15474	0.5
239.23741	3.8
257.24756	5.4
290.94699	0.8
299.86581	0.4
313.27374	100.0
314.27725	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.9
56.96570	2.4
57.03437	21.8
57.07076	53.2
60.08163	3.7
67.05511	13.1
69.07063	10.9
69.33237	9.2
71.08630	31.1
72.48116	2.0
79.05515	2.3
80.94850	6.0
81.07059	13.8
83.08627	10.4
85.10168	17.4
89.06038	5.2
93.07062	3.4
94.98515	1.6
95.08614	21.5
96.92207	1.9
97.10181	6.8
98.22837	5.2
98.97572	15.8
99.22779	1.6
103.07571	2.1
109.10166	9.1
116.98625	9.6
123.11680	5.3
134.99657	4.7
137.13252	2.4
158.01270	1.7
239.23659	4.5
257.24811	4.0
289.95087	2.3
290.94714	10.3
298.11029	2.7
308.95868	3.1
313.27359	100.0
313.33200	2.7
313.36493	16.8
314.13809	4.0
314.27899	6.2
314.34000	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	314.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01867	1.3
56.96564	5.2
57.03438	27.4
61.02930	7.6
62.06095	1.0
69.03442	7.2
70.59843	1.3
71.04993	2.5
73.02900	1.5
75.04476	2.5
79.01848	5.9
81.03427	7.2
85.02905	14.3
89.06033	7.5
97.02896	19.6
98.97586	36.6
99.04477	4.8
99.97960	1.1
106.06540	1.1
108.08125	11.3
109.02907	6.9
116.98623	25.1
117.05495	99.6
118.05764	1.0
121.85599	1.0
124.07585	1.9
125.02360	3.0
127.03905	9.7
134.05975	1.7
134.09615	1.7
134.99646	9.1
135.06529	64.8
136.06177	29.0
136.07582	3.6
143.03395	4.9
145.04922	3.5
150.07759	1.8
152.05759	2.0
152.07065	8.5
153.01830	100.0
153.02893	4.4
170.06122	1.9
171.02910	4.2
171.04340	2.2
172.94360	2.3
174.97659	2.1
181.01776	1.0
188.07152	1.4
189.05499	1.6
190.95497	1.6
199.02812	3.0
211.02789	1.4
213.06555	3.2
217.03920	3.5
219.00157	2.0
227.02179	1.0
229.03813	1.2
231.07632	7.0
244.98256	1.2
248.93837	2.0
249.08704	2.2
255.07628	2.4
258.96442	1.0
272.93646	4.3
272.96033	2.9
273.02802	3.9
273.08676	1.8
290.94547	23.3
290.97086	3.1
291.03839	3.6
297.06049	5.7
308.95795	3.9
314.09134	2.1
314.12347	12.4
315.03946	1.5
315.07281	5.7
315.10666	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	314.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01867	1.3
56.96564	5.2
57.03438	27.4
61.02930	7.6
62.06095	1.0
69.03442	7.2
70.59843	1.3
71.04993	2.5
73.02900	1.5
75.04476	2.5
79.01848	5.9
81.03427	7.2
85.02905	14.3
89.06033	7.5
97.02896	19.6
98.97586	36.6
99.04477	4.8
99.97960	1.1
106.06540	1.1
108.08125	11.3
109.02907	6.9
116.98623	25.1
117.05495	99.6
118.05764	1.0
121.85599	1.0
124.07585	1.9
125.02360	3.0
127.03905	9.7
134.05975	1.7
134.09615	1.7
134.99646	9.1
135.06529	64.8
136.06177	29.0
136.07582	3.6
143.03395	4.9
145.04922	3.5
150.07759	1.8
152.05759	2.0
152.07065	8.5
153.01830	100.0
153.02893	4.4
170.06122	1.9
171.02910	4.2
171.04340	2.2
172.94360	2.3
174.97659	2.1
181.01776	1.0
188.07152	1.4
189.05499	1.6
190.95497	1.6
199.02812	3.0
211.02789	1.4
213.06555	3.2
217.03920	3.5
219.00157	2.0
227.02179	1.0
229.03813	1.2
231.07632	7.0
244.98256	1.2
248.93837	2.0
249.08704	2.2
255.07628	2.4
258.96442	1.0
272.93646	4.3
272.96033	2.9
273.02802	3.9
273.08676	1.8
290.94547	23.3
290.97086	3.1
291.03839	3.6
297.06049	5.7
308.95795	3.9
314.09134	2.1
314.12347	12.4
315.03946	1.5
315.07281	5.7
315.10666	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	314.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01872	1.3
57.03436	2.2
61.02433	0.5
61.02925	2.3
62.06076	0.5
68.03490	0.4
69.03428	7.0
70.06587	0.9
70.93291	0.4
71.01335	0.4
71.04996	11.7
73.02908	1.6
79.01863	1.4
81.03416	3.9
85.02905	16.7
85.03422	0.9
87.04446	0.6
89.06030	100.0
90.06358	1.1
93.20058	0.4
95.06090	2.8
97.02888	9.4
97.03491	0.7
98.97565	2.9
99.04465	7.6
107.01293	0.4
108.08111	1.2
109.02874	5.3
109.18836	0.5
116.07090	0.5
116.98616	1.2
117.05507	1.7
125.02375	1.4
127.03914	9.5
135.06523	41.8
136.06146	7.4
143.03384	1.7
145.04968	3.7
150.07800	0.9
152.07027	0.6
152.09233	0.8
152.10689	0.5
153.01830	29.3
153.02893	1.4
156.57790	0.4
159.04410	0.4
163.06015	0.9
165.90160	0.4
167.03400	1.2
171.02922	1.8
177.01828	0.5
180.08733	0.8
191.03419	0.6
193.13461	0.5
195.02896	0.9
211.14424	1.6
217.12952	0.4
233.04404	0.7
237.04068	0.7
261.04123	0.5
270.21863	1.5
290.94717	1.5
297.06113	0.9
314.09082	1.4
314.12378	1.7
314.18225	1.0
315.07162	1.3
315.10483	15.4
319.00241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
57.03430	0.2
57.07075	10.3
58.07383	0.2
60.08162	1.1
67.05504	3.8
69.07068	3.5
69.28121	0.3
69.28523	0.6
71.04971	0.2
71.08628	6.1
72.08955	0.3
73.02907	1.6
81.07054	6.5
82.13632	0.2
83.08613	2.0
85.06541	0.2
85.10181	2.1
86.09700	0.3
87.04452	0.2
91.81777	0.1
93.07027	0.2
95.08033	0.2
95.08606	4.3
97.10161	1.3
98.22694	0.3
98.97575	1.8
99.04477	0.3
109.10144	1.9
111.11663	0.3
116.98596	0.7
123.11713	1.5
137.13214	0.3
147.90460	0.2
149.05975	0.4
174.18623	0.2
255.23170	100.0
256.23511	5.5
272.93518	0.2
276.04559	0.2
290.94736	0.9
314.30502	49.1
315.30856	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	315.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.7
57.03426	21.0
60.05656	10.8
69.03421	33.2
69.77512	14.6
70.06605	10.6
71.01360	8.6
71.04993	11.8
76.75697	4.3
79.01837	6.3
80.11217	4.4
81.03394	9.3
83.04957	5.2
85.02908	32.4
87.04474	9.8
89.06019	28.9
91.03929	4.5
91.05493	4.5
95.06105	14.6
97.02895	14.2
99.04470	28.1
101.06010	17.0
103.03918	9.7
103.05427	7.2
104.10734	5.9
109.02866	9.7
116.07084	11.3
117.05499	81.2
118.05832	13.0
120.96664	5.4
125.02322	5.4
127.03915	9.5
131.04941	6.6
133.02858	17.3
135.04391	6.8
135.06534	12.7
136.06123	6.5
137.02248	5.7
139.03918	11.3
145.04993	6.1
147.04410	9.6
149.02403	5.2
151.03918	6.9
153.01837	78.2
153.02983	4.1
153.06580	7.2
153.07631	5.5
156.97499	8.8
159.04401	11.6
163.03918	13.7
165.01868	8.0
165.05487	6.1
165.69617	4.4
167.03386	60.7
174.98582	5.8
175.03960	6.5
177.01797	17.7
177.05453	5.6
179.03413	13.3
181.01292	20.3
183.02899	8.6
184.06371	4.8
187.03966	7.2
191.03445	33.0
193.04945	7.6
194.99066	9.5
195.02922	35.7
203.03287	9.1
205.04930	13.5
207.02881	20.5
213.00105	14.2
215.03349	6.1
219.02896	26.3
221.04265	7.6
231.02948	12.6
233.04440	19.8
237.03900	32.7
243.03111	5.6
249.03970	27.8
261.03937	21.3
279.05014	10.6
297.06082	6.5
315.03030	100.0
315.10541	48.0
316.03772	5.9
318.54346	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	315.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.4
55.05515	5.6
57.03438	14.8
59.05002	4.0
61.02940	4.7
69.03429	31.3
69.23267	4.4
70.06601	8.5
71.01350	9.2
71.05011	15.8
73.02931	9.9
81.03439	9.0
85.02912	23.3
87.04452	6.0
89.06044	18.4
90.06371	5.4
91.05490	6.3
95.06098	9.1
97.02903	11.1
99.04463	24.8
101.06019	27.7
103.03981	9.2
104.10776	8.1
108.45077	3.7
109.02902	5.7
116.07128	9.1
117.05495	56.4
118.05842	13.7
119.05003	5.0
125.02375	6.9
131.04922	12.6
133.02861	18.9
135.06555	13.6
136.06163	6.8
137.02365	4.7
137.08060	6.7
139.03940	14.2
147.04416	15.5
151.03926	8.6
153.01851	61.1
153.02977	3.3
153.07619	11.5
156.97546	11.8
159.04419	17.1
163.03891	22.0
165.01828	9.7
167.03374	59.1
171.04434	5.1
174.98517	8.1
175.03935	8.9
177.01898	26.6
177.05421	5.7
179.03444	15.4
180.97531	5.5
181.01311	25.4
183.02888	10.8
184.06412	9.4
187.03781	9.8
189.00090	4.3
191.03419	32.0
193.01506	4.4
194.99091	13.7
195.02933	45.9
198.98613	7.1
203.03406	10.3
205.05046	15.9
207.02837	25.0
209.00761	5.8
209.04277	5.1
213.00075	19.6
215.03415	7.1
219.02919	29.1
221.04413	7.9
231.02905	11.1
233.04486	33.1
237.03946	37.9
240.99475	6.0
243.03061	4.9
249.03952	41.9
251.05460	5.9
261.03897	30.0
279.05069	14.2
280.95761	4.4
297.06128	5.6
315.03070	100.0
315.10501	44.9
316.03571	5.8
316.18777	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	315.0711
Annotation	Norbergenin
Peak:m/z	Relative Intensity
55.01867	7.7
57.03443	9.2
61.02920	4.5
65.03960	2.1
69.03424	5.3
69.65484	3.7
79.05504	1.9
79.61289	1.6
81.17656	1.7
83.04977	2.5
85.02898	22.8
91.05470	4.9
93.03405	2.2
95.01353	1.6
95.04946	1.9
97.02876	2.5
98.23384	3.6
98.97595	2.5
102.92937	1.6
103.03960	8.6
103.05466	4.2
105.03378	3.7
105.07090	2.1
107.04977	4.6
111.04422	3.7
111.46321	1.7
115.05472	4.0
117.03420	2.3
119.04932	7.5
119.52728	1.7
121.02862	5.4
121.14151	1.7
123.04398	5.0
125.02377	2.8
131.04916	15.1
133.02850	29.1
135.04391	4.8
137.02324	7.0
139.03899	18.9
145.02881	2.6
147.04388	21.2
149.02357	6.0
151.03915	14.4
153.01837	8.1
154.55786	1.6
155.54102	1.8
157.05014	2.0
159.04410	26.6
160.04869	1.8
161.02377	2.2
163.03883	27.9
165.01840	13.5
165.05460	7.2
167.03392	100.0
168.03763	3.1
171.04414	4.7
175.03864	15.3
177.01825	44.1
177.05482	11.4
179.03391	28.4
181.01309	36.1
183.02892	22.2
185.92743	1.9
187.03891	10.4
191.03389	48.0
192.03716	3.1
193.01350	5.5
193.04916	8.3
195.02881	74.8
196.03314	1.9
197.00813	4.3
197.04536	2.0
199.03918	3.2
203.03426	15.7
205.01233	1.7
205.04958	24.9
207.02885	46.2
208.03418	2.9
209.00813	3.6
209.04498	11.4
215.03368	17.3
217.04898	4.1
219.02872	48.1
220.03348	2.9
221.04376	11.5
223.02394	3.9
231.02902	17.1
233.04430	34.4
234.04782	2.6
235.02364	3.9
237.03908	52.2
238.04355	2.0
243.00616	1.8
243.02859	10.2
249.03951	67.9
250.04305	3.7
261.03928	44.0
262.04169	2.3
267.05124	11.5
279.04987	23.6
297.06006	13.0
315.07187	8.8
315.10486	39.1
316.10843	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	315.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	13.6
58.06606	15.0
64.18478	6.4
69.03428	8.2
69.56764	27.7
74.13859	5.7
79.05489	19.6
81.03426	13.7
81.07050	11.1
85.02914	24.7
86.09689	9.7
91.05505	19.2
93.07050	33.1
95.04974	8.9
95.08597	12.1
97.02916	9.7
98.97586	15.5
105.07039	13.1
107.04919	31.3
107.08615	21.9
108.05300	7.5
109.09456	7.2
109.10137	39.6
111.08061	6.3
116.98636	10.2
119.08611	9.1
123.04496	7.5
127.03922	9.3
135.11714	28.5
139.03897	29.3
143.08534	6.5
145.04958	6.7
145.06505	7.0
145.10172	8.0
147.04466	6.4
153.01822	59.1
153.05544	9.9
153.09131	8.0
153.12752	27.0
155.03418	9.1
155.08571	8.5
161.06013	8.8
163.07574	10.4
165.05475	11.3
171.02960	7.7
177.01959	7.1
179.07132	6.3
196.96851	7.1
205.08522	6.8
205.34540	7.4
213.05426	13.9
227.05887	23.1
231.10251	9.1
234.59499	5.7
237.04301	14.5
241.07698	13.2
242.29866	6.1
245.04503	6.9
245.07069	7.5
255.05464	12.4
259.08551	59.7
265.03860	6.7
283.05518	11.0
292.72787	6.6
297.14691	11.8
300.06201	6.0
315.08325	100.0
315.18280	24.2
316.05630	12.1
316.08905	8.1
333.08704	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	315.0862
Annotation	Aglalactone
Peak:m/z	Relative Intensity
55.01847	0.7
63.42950	0.6
66.78661	0.6
67.05471	1.1
79.05469	0.7
81.03391	0.7
81.07027	0.7
84.33296	0.6
91.05453	0.7
93.07028	1.0
95.04946	1.2
98.97546	2.3
103.63405	0.5
116.98582	1.3
121.06478	0.6
123.04450	0.6
123.59952	0.5
127.55982	0.6
129.06966	0.8
134.99675	1.1
135.04364	1.6
137.05974	3.2
139.05408	0.8
140.06177	2.7
141.06972	0.8
145.06415	0.6
151.03905	12.2
151.05045	0.9
152.06165	5.0
153.01831	0.7
153.06981	5.9
155.08516	0.9
157.06441	1.3
161.05960	0.8
163.03886	16.8
165.06998	1.7
167.04904	1.7
168.05696	18.9
169.06427	2.9
171.08044	0.7
180.05699	1.0
181.06419	2.8
182.07294	6.0
183.08041	58.5
184.08380	2.0
185.05939	5.3
196.05191	11.1
197.05974	7.2
198.06720	3.1
199.07512	3.5
200.08286	3.6
209.05908	1.4
210.06688	3.9
211.07529	38.6
212.04803	3.1
212.08209	6.6
213.05431	12.3
213.07301	1.0
213.09012	0.9
214.05833	0.7
215.06841	0.6
223.07671	0.6
224.04648	1.0
225.05412	0.8
225.09094	0.7
226.06201	9.6
227.06955	8.3
228.07809	7.0
229.05066	1.1
237.05437	2.2
239.03271	2.3
239.07011	23.1
240.04102	1.0
240.07599	1.3
241.04970	5.2
241.08476	3.5
242.09349	1.0
243.10149	77.8
244.07262	1.0
244.10532	4.6
253.04863	0.6
254.05727	13.0
255.06522	5.7
256.07288	18.5
257.04568	1.2
257.07571	1.0
258.05270	0.7
267.02994	0.9
269.08069	9.6
270.08829	3.4
271.09625	28.4
272.06802	1.9
272.09778	1.1
282.05212	6.0
283.06018	6.0
283.09335	1.1
284.06235	0.7
287.09116	45.6
288.09473	2.7
297.07562	24.9
297.11005	0.9
298.07733	1.1
300.06274	0.9
315.08591	100.0
315.19370	1.6
316.08960	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	315.1051
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
69.69466	0.4
69.69811	0.9
72.77514	0.3
73.26774	0.3
98.23427	0.4
98.97612	0.7
103.58229	0.3
116.98638	0.5
118.32118	0.3
131.45419	0.3
153.05226	0.9
158.81458	0.3
159.84995	0.3
203.05310	1.0
274.97324	0.5
291.94894	0.3
292.04846	0.4
315.10480	100.0
316.10806	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	315.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56104	0.3
67.43288	0.3
70.37509	0.6
93.73814	0.3
98.23375	0.4
114.77496	0.3
153.01836	0.6
153.05197	1.4
167.03519	0.3
185.04314	1.5
195.02927	0.4
203.05305	0.3
249.03943	0.3
292.93607	0.3
315.10486	100.0
316.10797	4.7
316.14178	0.5
316.79919	0.3
332.96835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56049	0.4
56.96569	0.5
58.46778	0.3
69.33119	0.8
69.33514	1.6
76.21687	0.4
77.11721	0.4
77.29707	0.4
78.22417	0.4
79.94363	0.4
82.06599	0.5
96.65685	0.4
98.22652	0.5
98.97579	2.4
104.90847	0.4
116.98618	1.3
133.02821	0.8
136.07555	0.5
151.03801	0.5
153.01831	1.0
153.05307	1.1
153.06567	0.8
159.04433	0.4
163.03963	0.8
167.03424	1.6
175.03946	0.7
177.01817	1.2
179.03432	1.0
181.01315	0.6
183.02820	0.5
191.03412	1.4
191.61900	0.4
195.02867	1.8
203.05243	3.3
207.02905	0.8
219.02922	0.8
232.14590	0.4
233.04489	0.8
237.03867	1.1
249.03883	1.2
261.03967	0.9
274.97354	0.8
279.05106	0.5
315.10483	100.0
316.10837	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	315.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26845	10.1
51.03177	9.3
56.07801	8.3
56.96556	15.6
58.73179	9.8
69.07050	20.1
73.27708	9.7
75.82813	10.2
80.93909	9.2
81.07025	19.9
83.11830	11.9
87.61053	8.8
95.08586	17.3
98.97580	32.2
107.08556	12.0
116.98620	26.5
139.44577	9.0
185.01060	11.8
198.29092	10.6
211.07336	92.7
237.56586	12.4
239.08159	32.4
240.08994	24.3
247.23720	10.4
254.10435	13.6
299.10297	41.2
315.07550	23.6
315.12332	100.0
333.08447	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	315.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26845	10.1
51.03177	9.3
56.07801	8.3
56.96556	15.6
58.73179	9.8
69.07050	20.1
73.27708	9.7
75.82813	10.2
80.93909	9.2
81.07025	19.9
83.11830	11.9
87.61053	8.8
95.08586	17.3
98.97580	32.2
107.08556	12.0
116.98620	26.5
139.44577	9.0
185.01060	11.8
198.29092	10.6
211.07336	92.7
237.56586	12.4
239.08159	32.4
240.08994	24.3
247.23720	10.4
254.10435	13.6
299.10297	41.2
315.07550	23.6
315.12332	100.0
333.08447	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	315.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.7
57.03415	0.4
69.03418	1.2
71.11331	0.6
79.01854	0.9
79.05457	0.5
81.03426	2.5
82.67185	0.4
85.02888	1.4
92.48441	0.4
93.07021	0.8
94.06605	0.4
97.02891	1.2
98.97589	2.1
99.04401	0.5
105.07016	0.6
107.04951	5.4
107.08514	0.4
108.76613	0.3
109.02860	1.4
116.98614	1.6
119.08662	0.4
127.03944	0.8
134.99675	0.4
135.04425	0.8
135.08054	0.4
136.06160	0.5
143.03465	0.9
153.01825	16.7
153.03049	1.1
153.05460	1.0
153.10246	0.6
154.02115	0.5
171.02910	0.7
172.09689	1.0
195.58191	0.4
265.71170	0.4
274.97421	0.7
291.95135	0.6
292.98486	0.4
297.05975	1.7
315.14114	100.0
316.07913	1.5
316.14368	3.9
316.17578	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	315.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.96556	0.6
57.71177	0.4
58.68151	0.3
61.44350	0.4
65.25784	0.3
67.15678	0.3
69.03423	1.2
69.45402	1.6
70.06594	0.6
72.08141	1.2
78.85793	0.4
81.03410	1.5
81.07049	0.5
82.06574	0.6
83.04977	0.4
85.02893	1.4
86.09698	2.0
87.04463	1.2
89.06036	0.7
91.05487	0.6
92.85279	0.3
93.05783	1.2
94.06570	2.0
95.04990	0.5
97.02879	0.7
98.97569	2.1
103.03922	1.1
104.04286	0.6
107.04944	0.9
108.08099	1.5
109.02855	0.4
111.04393	0.5
111.06805	1.3
116.07108	0.4
116.98602	1.2
124.07590	0.7
125.02378	0.5
127.03879	1.0
134.99701	0.4
135.04399	0.5
135.08197	0.4
135.09149	0.7
136.07571	1.8
137.05919	0.5
137.08304	0.4
138.09122	4.5
143.03363	0.4
147.04370	0.4
153.00653	0.5
153.01828	8.7
153.02921	0.4
153.05449	1.5
153.08934	0.4
153.10165	0.7
154.08611	4.1
155.03354	0.6
155.09383	1.1
165.06924	0.4
172.09688	8.2
199.17969	0.8
203.05368	0.4
203.13834	0.4
227.17665	0.5
291.94962	0.5
297.06110	0.7
298.15875	0.6
315.14093	100.0
316.14328	3.7
316.17560	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.1
51.02396	0.2
53.03944	1.9
55.01869	0.6
57.07077	0.1
59.04994	0.2
61.02935	0.1
63.02370	0.1
65.03925	0.4
69.03420	0.0
73.06552	0.5
74.06065	0.1
77.03910	3.7
78.04284	0.1
78.04704	0.1
79.05478	0.3
81.03423	0.4
84.73460	0.0
87.03917	0.0
87.04459	1.9
89.06023	52.0
90.06344	0.6
91.05470	17.9
91.07602	0.2
92.05783	0.3
93.03402	0.1
93.07034	34.5
94.07364	0.6
95.04957	16.3
96.05297	0.3
97.05392	0.1
102.04728	0.1
103.05457	10.9
104.05725	0.3
105.04505	8.1
105.07007	0.2
106.04860	0.1
107.04977	0.4
107.06330	0.1
107.07065	1.0
107.08558	0.1
111.04438	0.2
115.05461	0.1
117.06985	0.5
118.06524	0.5
119.04935	3.1
119.08572	3.0
120.08955	0.1
121.06490	100.0
122.06820	2.4
122.07722	0.1
123.08035	0.2
128.06197	0.1
129.06996	0.4
130.08615	1.3
131.07001	0.1
132.05684	0.1
133.08588	22.7
134.08925	0.4
135.08078	0.4
139.07527	0.9
145.06534	0.1
147.08034	5.0
148.08429	0.2
149.09590	0.6
151.09636	0.2
162.09114	0.8
163.07542	0.1
163.11160	0.4
165.09093	28.6
166.09412	0.8
167.10632	0.2
173.09563	0.1
177.11195	2.4
178.11592	0.1
183.10173	0.2
185.43918	0.1
191.10640	0.1
206.11766	0.1
209.11700	6.5
210.12192	0.2
221.13780	0.1
227.12769	0.9
253.14307	0.1
271.15347	0.9
284.72412	0.1
314.27362	0.1
315.17981	3.4
316.18375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02450	3.6
53.03951	5.3
55.01860	26.6
55.05507	49.7
56.96568	9.2
57.03442	38.8
57.07069	5.8
59.04991	7.2
61.02927	22.6
67.05505	17.8
69.03426	43.0
69.07069	23.6
69.38208	15.9
71.01365	9.7
71.04991	54.5
73.02911	24.0
77.03913	5.2
79.05505	31.0
81.03412	20.2
81.07059	46.7
83.04990	10.6
85.02900	80.0
87.04465	13.3
91.05479	59.9
93.06466	4.5
93.07047	89.3
95.04965	19.9
95.08610	31.0
97.02902	32.4
98.23472	8.9
98.97595	10.2
103.03954	15.1
105.07037	59.1
106.79709	4.0
107.04942	15.5
107.08589	78.6
107.09265	6.8
109.02866	10.5
109.06533	44.8
109.10153	28.4
111.04417	9.8
111.08060	10.1
115.03932	16.2
115.05406	6.8
116.98640	11.2
117.06976	22.9
119.08585	81.7
121.06512	18.4
121.10119	12.4
123.08046	25.8
123.11715	6.4
127.03932	14.2
128.06253	8.7
129.05447	7.5
129.06985	6.4
130.07771	7.6
131.08568	39.8
133.04982	29.4
133.06500	14.3
133.10133	15.5
135.08055	11.9
135.11687	36.4
137.05923	6.0
137.09653	11.1
137.13225	6.2
142.07811	4.7
143.08559	17.0
145.04968	5.4
145.06480	5.6
145.10101	27.1
147.08049	36.3
147.11754	15.1
149.09660	21.8
149.13329	5.6
151.07492	5.3
151.11168	12.3
153.01840	11.0
153.12750	18.3
155.08563	6.0
157.10202	7.1
158.07240	6.6
159.08076	15.3
159.11717	20.7
161.09621	8.1
161.13251	8.3
162.06238	5.3
162.10431	5.1
163.11211	12.6
165.09160	6.8
165.12756	100.0
171.11714	14.7
172.09743	7.6
173.09608	34.8
173.13231	7.0
175.07552	11.8
175.11250	6.5
177.12755	28.8
179.14308	6.0
189.12691	20.6
191.10677	12.3
191.14406	5.4
193.08591	7.2
194.08908	6.0
195.13753	10.5
201.12709	8.2
203.02179	6.7
207.13794	6.2
219.13718	10.5
231.13844	13.5
243.13937	8.8
261.14899	25.6
279.15970	20.5
283.05740	7.1
297.11310	5.6
297.17181	9.5
315.04669	11.0
315.08173	8.5
315.14063	48.0
315.17990	43.1
316.17670	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.03438	5.1
57.07073	6.0
59.05008	4.0
61.02912	3.4
67.05492	14.6
68.69888	2.8
69.03424	18.8
69.07065	13.3
71.01348	3.2
73.02898	2.7
79.05503	15.2
81.03422	9.1
81.07040	15.8
83.04982	5.2
85.02903	44.2
91.05488	16.1
91.54423	3.1
93.06450	4.6
93.07040	78.8
93.07607	5.3
94.07375	4.9
95.04942	7.4
95.08611	31.3
97.02888	7.9
97.06527	7.3
98.97585	6.6
99.04456	4.2
105.07043	8.0
107.08599	49.1
109.02859	4.7
109.06536	5.9
109.10152	85.1
111.04390	3.1
117.07021	5.0
119.08600	9.5
121.06490	3.4
121.10146	8.0
123.04436	6.5
123.11683	3.2
125.13257	4.8
127.03927	10.8
129.76610	2.8
133.10147	5.3
135.11693	100.0
136.12054	4.1
137.05989	6.3
139.03952	4.1
143.08540	4.4
145.04999	5.3
147.08051	3.3
147.11659	6.0
151.11227	3.6
153.01819	5.6
153.10204	40.2
153.12741	68.4
153.13875	5.4
159.11710	3.7
163.11212	4.7
169.12212	3.8
177.09221	3.3
179.49463	2.8
189.12796	3.7
223.09573	4.1
235.18488	3.1
261.14856	10.6
275.24689	3.1
279.15927	6.2
297.17053	8.8
315.08365	17.2
315.18054	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.03438	5.1
57.07073	6.0
59.05008	4.0
61.02912	3.4
67.05492	14.6
68.69888	2.8
69.03424	18.8
69.07065	13.3
71.01348	3.2
73.02898	2.7
79.05503	15.2
81.03422	9.1
81.07040	15.8
83.04982	5.2
85.02903	44.2
91.05488	16.1
91.54423	3.1
93.06450	4.6
93.07040	78.8
93.07607	5.3
94.07375	4.9
95.04942	7.4
95.08611	31.3
97.02888	7.9
97.06527	7.3
98.97585	6.6
99.04456	4.2
105.07043	8.0
107.08599	49.1
109.02859	4.7
109.06536	5.9
109.10152	85.1
111.04390	3.1
117.07021	5.0
119.08600	9.5
121.06490	3.4
121.10146	8.0
123.04436	6.5
123.11683	3.2
125.13257	4.8
127.03927	10.8
129.76610	2.8
133.10147	5.3
135.11693	100.0
136.12054	4.1
137.05989	6.3
139.03952	4.1
143.08540	4.4
145.04999	5.3
147.08051	3.3
147.11659	6.0
151.11227	3.6
153.01819	5.6
153.10204	40.2
153.12741	68.4
153.13875	5.4
159.11710	3.7
163.11212	4.7
169.12212	3.8
177.09221	3.3
179.49463	2.8
189.12796	3.7
223.09573	4.1
235.18488	3.1
261.14856	10.6
275.24689	3.1
279.15927	6.2
297.17053	8.8
315.08365	17.2
315.18054	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85195	4.2
55.01872	8.3
55.05500	7.5
57.03432	7.4
61.02927	5.7
67.05505	20.1
69.03434	20.2
69.07065	9.1
69.47105	16.8
71.04986	7.2
73.02926	4.4
79.05474	20.6
81.03415	13.2
81.07037	22.3
83.04987	8.2
85.02911	42.2
86.17891	3.9
89.34792	4.8
91.05458	24.5
93.07049	83.7
95.04972	10.9
95.08605	23.5
97.02886	13.8
97.06532	9.1
98.97585	14.2
103.03948	4.0
105.07031	11.4
107.04926	9.1
107.08593	48.3
109.02903	5.4
109.06516	9.0
109.10151	85.1
116.98637	12.1
117.07024	5.3
119.08595	10.1
121.10168	5.6
124.06336	4.5
125.09619	4.1
125.13280	4.9
127.03915	11.3
131.08554	6.9
133.06429	6.3
133.10159	10.0
134.99626	8.6
135.11688	100.0
137.05957	7.4
145.04942	5.1
145.10165	6.5
149.09630	4.4
153.01862	10.7
153.07024	4.4
153.10220	70.6
153.12741	65.5
159.08037	6.6
159.11688	8.6
163.07518	7.0
175.11185	5.4
179.07143	4.3
185.05957	5.6
197.06065	6.1
198.06839	4.3
199.07494	5.5
201.05634	4.9
211.07314	3.8
226.06248	14.9
227.07028	4.7
245.07956	4.6
246.03841	6.3
254.05922	10.4
255.06474	4.7
261.14999	6.6
279.15948	7.2
282.05298	4.2
284.12604	4.1
297.17096	7.4
315.04883	6.0
315.08603	64.2
315.18060	17.6
316.08997	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.4
55.01857	18.3
55.05515	41.8
56.96550	5.0
57.03437	27.9
61.02915	13.9
67.05492	16.6
69.03423	43.0
69.07048	18.2
71.01356	7.8
71.04990	57.7
73.02925	22.9
79.05485	18.2
81.03413	19.3
81.07049	32.5
83.04977	6.1
83.08614	5.7
85.02906	55.5
87.04440	5.5
91.05471	38.2
93.07047	84.8
95.04966	15.9
95.08588	34.6
97.02866	19.7
97.06480	4.4
98.97583	7.1
103.03925	19.0
105.07014	68.1
105.18829	4.1
107.04942	5.3
107.08602	92.9
107.45600	3.8
109.02933	4.4
109.06523	40.2
109.10151	21.7
111.04405	6.6
111.08073	10.1
115.03932	15.5
115.05410	4.9
117.07009	19.8
119.08580	61.2
121.06495	15.0
121.10140	14.5
123.08086	23.8
125.13277	4.4
127.03908	9.8
128.06204	5.0
129.05498	7.7
129.07010	9.3
130.07808	6.0
131.08565	31.9
133.04994	31.9
133.06485	13.6
133.10146	14.4
135.04399	10.5
135.08080	11.8
135.11688	39.8
137.05956	6.9
137.09621	16.8
139.11154	6.0
143.08583	14.3
145.06435	6.8
145.10118	29.7
147.08038	35.9
147.11690	9.3
149.09650	13.4
151.11174	11.2
153.01816	12.6
153.12726	24.2
157.10127	7.0
158.78529	4.4
159.08076	10.8
159.11687	12.4
161.05975	4.5
161.09515	6.6
161.13295	5.8
163.11160	19.0
165.12752	100.0
171.08035	4.7
171.11699	6.9
173.09607	22.9
173.13312	9.6
175.07556	10.2
175.11258	8.2
177.08990	4.4
177.12752	28.3
183.11697	8.6
189.12743	17.3
190.05029	7.1
191.10760	7.9
193.12245	5.1
195.13844	9.6
197.13330	6.3
201.12779	9.3
207.13689	10.8
211.09569	4.6
215.14339	5.4
219.13786	27.7
231.13828	13.9
243.13763	12.0
261.14798	21.6
279.15958	18.9
283.09732	5.5
297.17087	21.5
315.07742	7.0
315.11829	5.0
315.17654	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01864	17.2
55.05505	27.0
57.03439	28.2
57.07074	6.8
59.04991	8.4
60.04939	3.5
61.02921	14.0
67.05499	14.9
69.03426	36.6
69.07072	19.2
69.44383	14.1
69.44798	6.7
71.01340	5.1
71.04996	66.1
73.02913	18.8
79.05493	30.3
81.03425	24.0
81.07061	52.1
83.04980	15.8
83.08607	3.5
85.02902	96.2
85.06548	8.3
86.44271	3.3
87.04449	8.9
91.05486	49.1
93.07046	96.8
95.04967	26.4
95.08600	49.6
97.02917	25.4
97.06514	13.7
98.97572	8.2
99.04430	5.1
103.03947	12.1
105.07031	66.6
107.04942	10.4
107.08591	100.0
109.02903	6.2
109.06512	32.7
109.10145	18.2
111.04455	4.7
111.08072	4.0
115.03934	15.9
117.07020	21.3
119.08582	70.6
121.06508	16.6
121.10166	18.7
123.08051	22.5
123.11713	4.6
125.75660	3.5
127.03915	11.1
128.06239	7.1
129.05496	8.6
129.06964	14.9
131.08546	28.5
133.04953	12.1
133.06493	12.2
133.10132	15.3
135.08057	12.5
135.11696	70.7
137.09596	11.1
137.13239	8.7
139.11154	5.2
141.06984	5.1
143.08577	22.5
145.04939	6.6
145.06544	8.0
145.10103	32.6
147.08046	44.7
147.11688	16.7
149.09668	7.0
151.07532	6.7
151.11189	16.8
153.01794	7.9
153.12758	50.8
155.08459	5.2
156.09296	6.4
157.10118	8.0
159.08066	14.0
159.11676	12.8
161.09567	7.6
161.13272	7.7
163.11133	20.0
165.09229	3.7
165.12747	59.9
165.14078	6.4
171.08017	8.2
171.11739	8.6
173.09608	31.2
173.13278	10.7
175.07552	10.0
175.11186	6.3
177.12761	28.4
183.11642	7.8
189.09018	4.7
189.12730	19.8
191.10655	14.6
193.08571	5.9
193.12227	6.1
201.12703	9.8
203.10576	4.5
205.12259	4.9
207.13646	8.5
209.11755	6.5
219.13766	15.9
231.13795	13.8
243.13799	9.0
249.14937	6.4
261.14914	20.9
279.15796	21.4
297.17017	17.1
315.08041	8.1
315.18100	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01867	13.6
55.05512	28.9
57.03435	21.6
57.07071	5.0
59.05001	3.9
61.02926	13.4
62.92628	2.4
64.32001	2.4
65.03951	2.8
67.05509	18.0
69.03431	37.7
69.07063	21.1
70.81121	2.1
71.01379	5.4
71.04989	60.2
73.02914	19.7
77.03930	3.3
78.56013	2.3
79.05497	27.7
81.03413	22.3
81.07053	52.4
81.07503	3.7
83.04982	13.8
83.08604	2.4
85.02905	89.1
85.06557	2.8
87.04466	6.4
91.03967	2.9
91.05482	44.0
93.07044	100.0
95.04978	17.7
95.08604	46.9
97.02898	34.9
97.06503	11.3
98.97582	7.4
99.04485	7.6
103.03945	11.8
105.07024	62.7
105.07732	3.4
106.07318	2.2
107.04956	8.6
107.08589	97.0
109.02892	7.4
109.06517	33.2
109.10164	19.8
111.04445	8.6
111.08073	5.4
113.05987	3.1
115.03915	12.9
115.05471	5.7
116.98613	2.8
117.07026	16.0
119.04961	3.5
119.08572	56.2
121.06538	10.6
121.10141	17.8
123.04457	5.2
123.08068	25.0
123.11715	5.5
125.06026	4.1
125.09666	4.1
127.03940	11.7
127.07603	2.3
128.06229	7.6
129.05519	5.7
129.07031	10.3
130.07791	5.9
130.52538	2.9
131.08565	34.6
133.04982	12.5
133.06514	8.5
133.10135	14.0
135.08104	12.3
135.11691	61.4
137.05971	6.3
137.09576	11.1
137.13240	7.1
139.07539	2.7
139.11203	7.5
143.08585	18.6
144.09297	2.7
145.05005	4.7
145.06465	6.8
145.10110	30.6
147.08038	39.9
147.11682	16.5
149.06044	3.4
149.09656	8.2
149.13287	5.9
151.03870	4.5
151.07607	5.9
151.11194	16.4
153.01813	13.7
153.06981	2.9
153.12741	40.0
154.07787	2.5
155.08580	7.5
156.09338	3.8
157.06561	3.1
157.10098	7.3
158.07274	4.0
158.24036	2.6
159.08028	16.4
159.11668	12.0
161.06018	5.2
161.09637	8.0
161.13243	4.7
163.07500	3.0
163.11194	19.4
165.09198	3.3
165.12744	55.9
165.14032	3.9
167.08572	3.2
167.76941	3.0
168.09395	2.4
171.08025	4.5
171.11743	9.0
173.09657	23.8
173.13251	17.2
175.07571	7.8
175.11177	4.6
177.12730	23.6
181.12270	2.4
183.10170	3.0
183.11688	8.8
185.13284	3.8
187.11145	4.6
189.09084	3.2
189.12749	18.6
191.10655	12.4
193.08611	4.8
193.12254	5.9
195.08012	3.2
195.13737	5.7
197.13274	5.5
201.12787	10.5
205.12363	2.9
207.13855	8.8
209.11781	3.0
211.09645	5.2
219.13841	13.7
223.07680	2.9
231.13812	12.5
243.13901	12.3
249.14836	4.6
261.14847	18.1
272.70840	2.9
279.15930	17.4
283.09604	3.6
297.16782	11.8
315.08115	7.2
315.12332	2.8
315.14084	3.0
315.17813	19.7
316.88144	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	315.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
56.05022	2.4
57.07077	3.5
60.04524	6.5
60.46825	0.5
67.05507	0.6
69.07075	0.8
70.06590	2.8
71.08616	1.5
71.98956	0.6
72.73694	0.6
74.06086	4.6
76.71469	0.5
81.07075	0.7
85.10196	1.4
88.07637	15.9
95.08581	1.1
98.22675	1.2
98.97594	3.8
102.05533	0.8
105.03381	3.2
106.08669	4.1
107.08546	0.5
116.07106	0.6
116.98617	1.9
120.06619	0.8
134.99692	0.9
143.78766	0.6
149.05968	6.0
156.93221	0.8
192.64386	0.7
247.05032	0.6
270.27930	3.7
272.16498	1.5
274.97311	0.7
298.27478	1.4
314.25519	0.6
315.07333	1.4
315.19296	100.0
316.19565	8.2
316.28433	21.4
316.32108	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03452	3.3
61.02925	7.5
69.03427	2.8
81.07069	2.5
85.02900	11.8
87.04460	2.7
91.05479	4.4
97.02882	2.0
98.97581	9.6
103.03953	20.5
107.04964	20.0
111.44875	2.5
116.98621	7.6
119.04913	3.3
121.06484	4.6
123.04428	4.1
131.04970	3.1
133.02780	2.5
135.04419	16.7
136.07584	6.3
145.03937	2.5
146.42979	2.4
147.04434	15.9
149.02271	3.4
149.05972	6.3
151.03934	12.7
154.04929	2.8
154.08635	12.1
155.06850	6.0
159.04457	2.6
159.53407	2.6
161.02362	7.7
161.05981	4.9
163.03908	3.8
165.01830	8.6
165.05450	2.3
167.03389	15.7
170.09352	2.1
175.03918	43.2
177.05444	3.2
179.03387	27.3
187.03877	4.9
189.02010	2.2
189.05502	5.8
191.03389	54.9
192.03703	3.0
193.01285	3.4
193.05019	5.4
203.03410	27.2
203.05251	3.3
204.03925	2.7
205.04913	4.4
215.03287	6.3
217.04982	9.1
219.02888	6.4
221.04451	66.7
227.03471	3.6
233.04431	21.8
234.04695	2.5
245.04414	14.6
251.05557	6.4
263.05551	14.0
271.02652	2.4
274.97418	6.9
279.49213	2.4
281.06528	14.2
292.98444	5.1
299.02069	5.1
299.07590	21.5
316.10861	7.7
316.14063	4.4
317.12125	100.0
317.93970	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	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.55185	0.4
69.03423	0.8
71.43996	0.4
72.08148	1.1
79.05493	0.5
81.07053	1.6
83.08621	0.5
85.02909	1.0
86.09698	1.3
95.04990	0.4
96.08118	0.4
97.02910	0.5
97.05257	0.5
98.06049	0.7
98.97585	1.2
109.06531	1.4
116.98618	0.5
119.08575	0.4
119.90806	0.3
126.09159	0.9
137.02406	0.4
139.06314	1.0
152.07033	0.4
154.08630	100.0
155.08969	2.7
155.18752	0.4
162.87238	0.3
185.16492	0.8
213.15964	0.5
274.97409	0.7
293.09018	0.4
299.10202	0.5
303.36652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
56.58701	0.4
60.58128	0.4
67.05486	0.8
69.03430	0.6
70.06586	0.6
72.08145	1.8
79.05492	1.0
80.31496	0.4
81.03397	0.7
81.07045	1.6
83.08640	0.8
85.02901	1.6
86.09702	2.4
91.05464	0.7
93.07042	0.4
95.04972	0.6
98.06056	0.9
98.09672	0.7
98.97594	1.4
106.05105	0.5
108.08107	1.0
109.06519	1.5
110.06022	0.8
111.06863	0.5
119.08559	0.5
126.09152	0.8
135.04454	0.4
139.06311	0.9
154.08629	100.0
155.09026	2.9
161.78932	0.4
167.46480	0.4
173.10786	0.6
185.16534	1.1
213.15936	0.7
247.17256	0.4
274.97455	0.7
316.17514	0.9
317.15451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1755
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
55.05501	0.8
63.06840	0.3
65.03939	0.3
67.05497	0.8
68.05013	0.8
69.03421	0.6
70.06582	0.8
70.81053	0.4
72.08141	0.9
73.06545	0.7
80.04998	1.7
81.07058	0.6
82.04208	1.8
82.06577	1.3
83.04971	1.6
84.08164	0.5
85.02878	0.6
86.09695	1.5
86.39159	0.3
87.04456	1.5
91.05487	0.4
92.05018	0.3
93.05783	6.7
93.06332	0.5
94.06564	11.9
95.07336	0.4
95.44611	0.2
96.04520	0.4
98.06065	1.1
98.97574	1.0
100.07602	0.5
102.05544	0.9
106.06549	1.1
108.08127	1.8
109.06496	0.6
110.06034	1.2
111.06827	6.6
112.07636	1.5
115.46268	0.3
116.07101	0.9
116.98611	0.6
118.06524	0.4
120.08052	0.4
124.07599	0.8
126.09167	0.4
128.07074	0.5
136.07574	5.3
137.08365	2.0
138.09137	18.0
139.03915	0.8
139.09570	0.5
148.24872	0.3
154.08621	4.2
155.06779	3.4
155.07907	0.4
155.08153	0.5
155.09407	5.8
163.97949	0.3
171.15004	0.4
172.09682	33.8
173.09973	0.7
173.12900	0.5
185.04199	2.3
203.05272	1.1
214.37090	0.3
226.14386	1.2
264.91669	0.3
270.12387	0.4
272.14999	0.9
274.97446	0.7
278.31754	0.3
292.94901	0.4
292.98508	0.4
298.16406	0.6
316.14520	4.3
316.17538	100.0
317.12085	33.1
317.15182	1.4
317.18130	4.7
319.76910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01879	0.4
55.05511	5.7
56.05036	4.0
57.03442	0.5
57.07084	2.1
58.02959	0.5
60.04525	100.0
61.04864	0.7
67.05502	7.8
68.05035	0.6
69.07068	4.8
70.06586	0.9
71.08636	1.1
71.21146	0.6
72.04505	2.1
73.02925	0.5
74.06068	2.2
79.05500	3.0
80.04988	0.7
81.03407	0.4
81.07060	6.5
82.06590	1.5
83.08624	3.8
86.06081	1.2
87.04468	0.9
90.05566	1.2
91.05480	2.4
93.07034	3.4
94.06596	0.8
95.04995	0.5
95.08605	7.0
96.08150	0.8
97.06520	0.8
97.10171	1.7
98.06051	0.5
100.07604	0.6
102.05556	0.4
105.07052	1.3
107.08600	1.7
109.10148	2.6
111.11746	0.5
112.07595	0.6
113.94825	0.3
115.62786	0.3
116.07101	0.4
119.08580	0.9
121.10172	1.8
123.11723	1.1
126.01410	0.4
133.10179	0.7
135.11650	1.0
137.13248	0.6
147.11754	0.4
151.07510	1.2
207.64137	0.4
209.16928	0.4
250.25320	1.0
262.25293	1.3
263.23547	0.4
268.26364	0.7
280.26352	11.4
281.26767	0.7
298.27390	12.9
299.27628	0.8
299.52072	0.4
316.28452	48.9
317.28665	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	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60296	0.3
51.86494	0.3
52.39793	0.4
53.03957	0.4
55.01866	0.8
55.05512	3.7
56.05038	4.1
57.03442	0.8
57.07088	2.1
58.02969	0.4
60.04525	100.0
61.04849	0.7
63.56886	0.4
65.03954	0.5
67.05504	8.2
69.07068	5.0
69.08669	2.5
70.06596	1.0
70.55824	0.3
70.82463	0.3
71.08639	0.7
72.04535	1.6
73.02929	0.5
74.06076	2.0
79.05497	3.7
80.05024	0.9
81.07057	6.5
82.06590	1.1
83.04987	0.5
83.08617	3.3
86.06087	0.6
87.04491	0.8
90.05536	1.9
91.05473	2.3
93.07051	3.5
94.06567	0.9
95.04948	0.7
95.08602	7.8
96.08129	0.7
97.06541	0.6
97.10168	1.7
98.06076	0.4
100.07604	0.4
105.07045	1.5
107.08595	2.3
109.10160	3.2
111.11695	0.5
112.03398	0.3
112.07571	0.6
116.07133	0.4
119.08578	1.1
121.10126	1.5
122.09684	0.4
123.08009	0.4
123.11719	0.8
133.10147	1.1
135.11719	0.9
137.13257	0.4
146.29504	0.3
147.11676	0.5
149.13297	0.5
151.07562	0.4
207.21217	0.4
245.22739	0.4
250.25302	1.1
251.23750	0.4
262.25333	1.0
268.26352	0.7
274.93588	0.4
280.26343	11.4
281.26898	0.7
298.27414	13.3
299.27734	1.1
311.22232	0.4
316.28455	47.9
317.28815	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	316.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.07076	12.4
58.07406	0.3
59.02419	0.3
60.04523	7.7
67.05493	0.6
68.05013	0.4
69.07056	0.8
70.06590	13.3
71.08630	6.7
71.20271	0.3
72.04499	0.3
79.05480	0.5
81.07040	0.7
83.08595	0.5
85.10177	4.1
86.06035	0.4
88.07629	21.5
89.07939	0.5
93.07059	0.6
95.08582	0.5
98.97565	0.7
102.09161	0.5
105.03369	0.3
105.07022	0.3
106.03735	0.3
106.08662	28.6
107.09050	0.4
116.98577	0.4
117.00513	0.2
121.30403	0.2
131.15062	0.3
135.61342	0.3
146.05943	0.4
148.03938	0.4
149.05954	0.6
150.06270	1.1
158.05948	0.5
172.07599	0.4
200.07098	0.4
210.09108	0.3
212.10645	0.3
227.57527	0.3
254.15384	1.1
272.16476	4.4
280.26245	0.9
298.27286	0.9
298.30957	0.8
316.19308	3.9
316.32065	100.0
317.28763	0.6
317.32422	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	317.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53672	2.6
57.03015	2.1
67.92572	2.8
69.03474	2.3
70.06590	3.4
72.08144	3.8
84.04491	2.6
84.08138	4.1
84.57791	2.6
85.02891	5.9
86.09722	6.5
98.22727	8.3
98.97568	7.5
113.60736	3.1
119.01857	2.7
121.06530	6.5
129.10255	5.1
136.06189	3.6
137.02319	2.7
138.05501	32.6
139.03978	2.9
153.01831	8.3
154.02151	2.9
155.02240	5.0
155.03380	3.4
156.06569	14.7
177.00926	8.9
186.56448	2.8
203.02501	16.3
217.03967	5.5
219.02025	3.0
221.58995	2.5
241.99957	2.6
245.03552	3.6
259.07916	3.6
275.04617	8.1
275.97113	4.2
280.00574	2.7
292.98230	3.8
293.05771	6.0
293.98508	2.6
317.02527	4.4
317.06302	100.0
317.12076	90.6
318.06384	2.8
318.12338	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	317.0636
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
50.99310	2.0
52.44313	2.0
56.45065	2.3
56.96566	2.9
65.83527	2.3
69.03430	2.4
69.88683	2.9
69.89001	4.8
70.06593	3.8
72.08170	4.3
81.10139	2.3
84.08126	3.8
85.02911	3.5
85.47616	2.1
86.09710	5.6
86.88604	2.4
97.02863	2.6
98.96979	2.3
98.97546	10.5
99.04477	2.5
101.00890	2.1
109.02934	2.3
111.04459	3.5
116.98694	2.3
119.01880	3.2
121.06515	4.0
123.04389	2.2
127.03942	2.7
136.06197	4.0
138.05510	23.8
139.03954	3.0
153.01854	8.9
154.02151	3.8
155.02196	3.4
156.06578	14.7
156.10240	2.7
157.13458	2.2
177.00972	3.4
179.12837	2.4
190.14337	2.3
203.02524	9.4
214.96376	2.7
217.03900	2.4
219.02017	2.7
259.07892	3.4
274.97229	6.3
275.04556	3.5
275.97113	3.1
317.06305	100.0
317.12134	83.2
318.06573	2.5
330.09039	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	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.34060	0.1
54.46093	0.1
58.87517	0.1
65.03915	0.5
68.99760	0.3
69.27504	0.7
77.68105	0.2
81.03387	0.6
91.05470	0.2
91.11858	0.1
92.02615	2.9
93.02870	0.2
93.03397	2.5
94.04157	0.1
95.04954	0.3
111.00792	0.4
119.08508	0.2
121.02855	1.9
121.06490	0.4
122.03639	0.2
126.03122	1.0
133.02815	0.2
137.02304	0.5
139.03896	0.7
140.15227	0.2
145.06429	0.2
149.02298	0.3
150.03094	0.2
151.03912	1.3
151.88753	0.1
152.14325	0.2
153.01813	15.6
154.02171	0.4
155.04842	0.3
161.05981	0.2
163.03906	0.5
165.01804	1.2
166.02621	0.3
173.05911	0.4
175.07538	0.1
177.05457	0.4
179.03319	0.3
183.02856	0.3
183.04378	0.3
187.03909	0.1
190.06148	0.2
193.12218	0.4
200.04683	0.7
201.05434	1.6
203.03333	1.1
204.03821	0.2
217.04965	2.4
218.05753	1.1
219.02847	0.4
228.04153	3.2
229.04932	4.6
230.05321	0.3
231.02881	0.9
232.03421	0.2
239.03384	0.2
243.06494	0.4
245.04453	3.2
246.05225	3.0
256.03641	0.5
257.04428	3.1
258.04941	0.3
260.03094	0.4
261.07596	0.4
267.15881	0.3
271.05997	0.5
272.19998	0.5
273.03888	3.1
273.20444	0.2
274.04678	6.4
275.04907	0.3
278.01248	0.2
284.03094	0.8
285.03897	4.9
286.04639	0.2
287.02048	0.2
288.06448	0.3
299.12589	0.1
301.03342	0.4
302.04178	19.8
303.04510	1.1
316.22632	0.3
317.06516	100.0
318.06870	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	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.14708	0.1
51.58931	0.1
53.05334	0.2
55.05503	0.4
56.05006	0.2
56.06838	0.1
57.07048	0.2
67.05498	1.0
68.99754	0.2
69.03404	0.4
69.07045	0.3
70.06571	0.6
70.81355	0.2
79.05470	0.2
81.07050	1.2
85.02884	0.2
86.06072	1.4
86.09711	1.2
87.04473	1.2
87.10017	0.2
91.05479	0.3
93.07016	0.3
95.08604	0.3
98.05498	0.2
98.06059	2.8
99.06371	0.4
105.07012	0.3
107.08546	0.2
121.02831	0.3
123.11663	0.2
124.01551	0.9
124.07602	0.8
125.07903	0.3
126.03083	0.2
133.10165	0.4
134.10457	0.2
134.54193	0.2
139.03856	0.2
146.05981	0.2
149.02377	0.2
150.03128	2.4
151.03821	0.2
151.11183	1.0
152.01054	1.1
152.11465	0.5
153.01826	5.5
154.02168	0.3
157.13380	0.4
166.02617	0.3
167.03377	0.7
168.13803	0.7
168.84854	0.2
170.02089	0.6
177.01859	0.3
189.12575	0.2
200.04646	0.7
202.17407	0.2
203.03444	1.1
217.04974	2.1
218.05737	0.9
224.04388	0.2
228.04167	2.5
229.04953	0.5
236.16467	0.9
237.16724	0.7
245.04388	0.5
246.05171	0.3
250.18111	0.4
256.03717	0.5
257.04401	0.3
272.18585	4.9
273.03952	0.4
273.18900	3.5
274.04718	11.7
274.18948	0.2
275.05069	0.5
282.20691	0.4
285.03909	1.4
299.13794	0.3
301.03418	1.7
302.04202	43.9
303.04596	2.3
316.21231	1.5
317.06549	100.0
317.21201	1.6
318.03348	0.4
318.06912	5.3
318.34570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33258	0.4
55.80434	0.4
56.20359	0.4
57.83198	0.4
60.88589	0.4
67.05503	0.6
69.03412	0.6
69.15918	2.8
72.08150	0.5
73.41090	0.4
85.02891	0.8
93.05775	0.6
93.27402	0.4
94.06571	1.2
97.02890	0.6
111.06844	0.4
112.07159	0.6
131.85509	0.5
138.09134	0.8
139.03868	0.4
139.09476	0.6
155.06789	11.5
155.08900	0.9
172.09726	1.4
173.10031	1.9
185.04207	9.3
200.41269	0.3
203.05223	4.1
203.06688	0.4
317.12115	100.0
317.15536	11.3
317.18228	5.2
318.12445	4.7
318.15622	0.8
318.18747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60614	0.9
72.08124	0.7
98.97595	2.0
115.05327	0.4
116.98640	0.9
117.67637	0.4
121.02895	0.8
138.05502	0.6
139.43045	0.5
151.90820	0.4
155.06825	2.0
174.01312	0.5
185.04340	0.8
203.05295	0.6
259.64508	0.5
271.02625	0.6
274.97525	1.2
299.02194	0.9
317.12082	100.0
318.12360	4.6
337.71390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68617	0.9
55.01865	2.3
55.05509	3.4
65.03946	1.5
65.86794	0.9
67.05498	4.9
68.99773	1.3
69.03432	1.5
69.07049	4.8
70.32385	2.2
70.59836	1.1
71.04989	2.4
79.05518	6.7
81.03413	1.8
81.07047	5.6
83.01349	2.0
83.04978	5.6
83.08640	2.1
85.02891	1.8
86.09720	1.9
91.05469	10.5
93.07054	6.5
95.04970	2.8
95.08601	2.8
97.06531	1.2
98.22762	1.1
98.97571	1.1
99.04454	2.8
99.08094	1.8
103.05495	1.1
105.07036	5.2
107.04953	3.6
107.08598	2.4
109.06506	2.2
109.10161	2.3
111.04436	3.5
111.08101	1.5
117.07008	2.4
119.04938	2.3
119.08569	10.5
121.06507	3.3
121.10143	3.2
123.04444	3.1
125.02325	1.2
127.03903	24.6
129.06992	4.1
131.04947	1.3
131.08569	7.1
133.06499	3.4
135.08012	2.0
135.11713	1.4
137.02335	3.4
137.05951	3.5
137.09621	2.9
139.03894	22.1
139.04961	1.1
141.05537	1.1
143.03381	4.3
143.08684	1.0
145.06487	1.4
146.07225	1.2
147.04408	2.8
147.08052	7.1
148.08806	1.4
149.05960	2.0
149.09592	1.4
151.07538	2.1
151.11185	3.0
153.05478	2.0
155.03386	95.5
155.10757	1.1
156.03705	2.2
157.06407	1.5
159.08015	2.9
161.05962	3.5
161.09537	1.2
163.03941	2.7
163.07570	3.8
163.11163	7.7
165.05524	5.1
165.09096	3.4
167.03406	1.7
167.06990	1.2
169.01299	1.0
169.04948	4.0
173.05977	1.1
175.07574	4.7
177.05441	1.4
177.09106	3.6
179.03383	1.3
179.07051	8.4
179.10635	1.9
183.02882	4.8
189.09134	2.8
191.10675	15.4
193.08609	4.1
195.10164	2.2
203.07056	2.2
207.10179	9.2
209.11679	2.7
217.08640	1.5
219.10214	1.2
221.08055	4.9
225.11169	5.8
235.09639	9.0
237.11063	1.9
253.10704	100.0
254.11153	4.6
263.12811	1.1
271.11749	36.8
272.12228	1.2
281.10178	7.0
289.17929	1.8
299.11316	5.7
299.16437	1.6
299.19684	0.9
317.06451	3.7
317.15826	8.7
317.21460	1.9
329.54333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01869	1.4
55.05508	0.8
57.03437	1.6
59.66068	0.5
60.04533	0.5
61.02922	3.0
67.05509	0.8
68.05027	8.9
68.34292	0.4
69.03427	6.6
69.24625	0.4
71.04988	1.2
72.08152	1.8
73.02914	1.2
79.05505	0.6
81.03406	2.8
81.07051	0.9
85.02901	18.5
85.06554	0.5
86.09690	1.0
87.04459	1.1
91.03942	1.1
91.05476	0.8
93.07040	0.6
95.08629	1.2
97.02899	5.6
99.04447	0.8
99.29467	0.4
100.39972	0.5
105.07009	0.6
107.05004	0.4
107.08572	0.5
109.02873	1.9
109.07637	26.7
111.08105	1.3
114.09158	1.3
121.06441	0.4
121.73283	0.4
123.04452	0.5
127.03902	4.2
137.07092	100.0
138.07452	2.2
139.03899	3.3
145.04955	4.1
147.04408	5.3
149.06061	0.5
151.03857	0.6
155.08144	66.2
156.06526	1.2
156.08508	1.5
159.11331	2.2
159.12494	0.5
161.05894	0.5
165.05441	0.7
165.85765	0.4
168.99071	0.4
174.11258	0.7
179.03400	0.7
187.10832	0.7
189.05443	0.6
189.58313	0.4
204.10141	0.8
227.07047	0.5
233.08046	0.6
274.97452	0.5
299.06027	0.4
299.09036	2.5
317.06284	1.4
317.09979	1.0
317.13135	1.4
317.15842	0.6
317.18680	5.6
318.19229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01869	1.4
55.05508	0.8
57.03437	1.6
59.66068	0.5
60.04533	0.5
61.02922	3.0
67.05509	0.8
68.05027	8.9
68.34292	0.4
69.03427	6.6
69.24625	0.4
71.04988	1.2
72.08152	1.8
73.02914	1.2
79.05505	0.6
81.03406	2.8
81.07051	0.9
85.02901	18.5
85.06554	0.5
86.09690	1.0
87.04459	1.1
91.03942	1.1
91.05476	0.8
93.07040	0.6
95.08629	1.2
97.02899	5.6
99.04447	0.8
99.29467	0.4
100.39972	0.5
105.07009	0.6
107.05004	0.4
107.08572	0.5
109.02873	1.9
109.07637	26.7
111.08105	1.3
114.09158	1.3
121.06441	0.4
121.73283	0.4
123.04452	0.5
127.03902	4.2
137.07092	100.0
138.07452	2.2
139.03899	3.3
145.04955	4.1
147.04408	5.3
149.06061	0.5
151.03857	0.6
155.08144	66.2
156.06526	1.2
156.08508	1.5
159.11331	2.2
159.12494	0.5
161.05894	0.5
165.05441	0.7
165.85765	0.4
168.99071	0.4
174.11258	0.7
179.03400	0.7
187.10832	0.7
189.05443	0.6
189.58313	0.4
204.10141	0.8
227.07047	0.5
233.08046	0.6
274.97452	0.5
299.06027	0.4
299.09036	2.5
317.06284	1.4
317.09979	1.0
317.13135	1.4
317.15842	0.6
317.18680	5.6
318.19229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1596
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
55.01875	1.0
55.05508	2.0
64.79670	0.6
65.03947	0.6
67.05504	2.9
69.03423	1.2
69.07092	0.7
69.09682	4.2
71.04992	0.8
73.00700	0.6
79.05486	4.7
81.07051	3.1
83.04978	2.0
91.05479	3.6
93.07043	1.7
95.04973	2.8
95.08563	0.8
98.23426	1.5
98.97641	0.6
99.04433	0.8
105.07029	4.5
107.04942	7.2
107.08591	1.1
109.06523	1.6
109.10151	8.3
111.04446	1.4
117.07008	0.8
119.08581	2.8
121.06510	1.5
123.04443	1.0
128.06245	1.7
129.07034	1.8
133.06480	1.0
133.10129	3.9
137.02313	3.2
137.05974	1.2
137.09602	11.4
139.03899	2.1
143.08533	3.8
145.10175	1.0
146.07253	1.2
147.08054	4.6
149.05977	1.2
151.03827	0.9
151.07509	1.7
153.01845	2.4
156.06488	1.2
161.09618	26.5
162.09981	0.7
163.07634	1.4
163.11252	0.9
165.01816	0.7
165.09106	17.1
165.17284	0.7
179.07123	0.7
179.10747	1.7
189.09079	3.1
196.10330	0.8
197.08092	1.3
200.04619	1.5
207.10162	6.4
225.11253	2.2
228.04149	6.1
229.04889	1.9
245.04439	2.1
256.03683	1.0
257.04425	1.7
273.03812	0.9
274.04691	5.9
285.03967	2.3
299.14822	0.7
301.00140	1.3
301.03445	18.1
302.04193	38.4
303.04538	2.3
317.06543	100.0
318.06931	6.3
318.19461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1959
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03945	0.7
55.01849	0.4
57.03445	0.6
57.07068	0.6
61.02920	1.5
67.05516	3.2
67.05807	0.5
69.03423	3.2
69.07054	0.9
69.32999	1.9
69.33401	0.9
70.13171	0.4
73.02907	1.0
75.23099	0.4
79.05499	4.1
81.03415	1.0
81.07053	100.0
82.07381	2.4
85.02403	1.0
85.02902	16.0
88.63660	0.4
90.64845	0.4
91.03957	0.9
95.08600	9.6
97.02900	2.8
98.23572	0.7
99.04432	0.9
103.03951	0.5
109.02898	2.0
127.03908	2.8
137.13249	54.3
138.13606	2.1
145.04942	6.1
163.06032	1.9
180.07278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01868	0.5
55.05510	0.5
57.03423	1.0
57.07075	0.6
57.55769	0.4
61.02930	1.5
67.05503	2.9
69.03432	3.0
69.07065	0.9
69.17330	2.6
71.05006	0.4
71.30411	0.4
73.02928	0.8
77.06618	0.4
79.05490	4.1
81.03387	0.6
81.07056	100.0
82.07381	2.2
85.02905	20.3
87.16592	0.5
91.03951	1.0
95.08607	8.4
97.02894	3.6
99.04443	0.7
104.30479	0.4
109.02882	1.5
109.10146	0.8
127.03915	3.6
130.28072	0.4
137.13251	61.0
138.13580	1.9
145.04965	7.5
163.06009	2.6
188.98523	0.5
251.20648	0.4
263.64957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.79722	1.2
53.03939	1.4
55.01866	2.6
55.05517	6.2
56.52179	1.1
57.03442	4.5
57.07074	5.9
65.03947	1.8
67.05505	26.0
69.03429	2.3
69.07065	8.8
69.26426	7.3
70.35391	1.2
71.08618	1.2
72.87882	1.2
79.05486	5.1
80.94839	2.0
81.02956	2.4
81.03419	27.8
81.03896	1.7
81.07061	16.3
83.01334	2.2
83.04991	3.8
83.08601	2.9
83.41295	1.3
85.57359	1.2
88.07611	1.8
91.05481	5.8
93.07061	6.8
95.04973	40.6
95.08613	11.2
97.06525	1.4
98.22833	4.6
98.23526	2.6
98.97600	3.2
99.08060	1.9
105.07014	5.5
107.04937	3.6
107.08599	7.5
109.06516	3.9
109.10165	15.9
117.06998	4.3
119.08596	6.0
121.06516	7.2
121.10141	4.1
123.04440	5.3
123.08064	7.0
123.11696	15.1
125.06001	3.5
131.08524	3.7
133.06499	2.0
133.10104	2.7
135.08069	5.3
135.11684	2.2
137.05995	6.5
137.09625	5.4
137.13240	3.6
143.08578	2.3
145.06461	2.7
145.10103	2.2
147.08017	2.9
149.09641	3.6
151.07558	11.2
153.05444	8.7
155.07083	3.9
157.10170	2.2
159.08025	2.2
159.11641	1.7
161.06017	3.1
161.09596	1.9
161.13229	2.7
161.54620	1.2
163.07550	11.3
165.12762	3.5
168.31799	1.7
168.51849	1.5
175.07565	7.7
175.11159	1.9
177.09099	17.3
177.12842	1.7
177.16359	1.7
178.00742	1.3
179.07094	1.7
185.09822	1.5
187.07500	1.7
189.09154	4.4
191.07030	22.7
191.10661	2.2
193.08630	1.5
197.13411	1.3
203.10681	1.7
204.07907	3.6
205.08609	3.2
205.15892	6.8
215.10664	3.2
224.42973	1.3
245.02979	1.3
253.19662	1.6
263.88541	1.3
270.93875	1.8
271.20593	3.0
288.92075	1.6
289.21725	1.5
299.19931	10.7
317.21121	100.0
317.32501	5.5
318.20898	6.1
318.24637	6.7
318.30103	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	317.2477
Annotation	Urushiol III
Peak:m/z	Relative Intensity
51.02383	0.1
53.03941	0.2
55.01857	0.4
55.05508	6.1
56.05862	0.1
57.07071	2.0
63.29605	0.1
64.76592	0.1
65.03925	0.2
65.98586	0.1
67.05501	5.1
68.99787	1.9
69.07064	8.8
69.26186	0.3
69.26587	0.2
70.07388	0.2
71.08623	0.5
77.03914	0.1
79.05470	0.5
81.07050	5.1
82.07391	0.1
83.08614	5.2
84.08930	0.1
85.10166	0.3
91.05453	0.5
93.07044	0.6
95.04966	2.3
95.08602	4.7
97.10164	4.5
97.10809	0.1
98.23077	0.4
103.05451	0.4
104.05755	0.1
105.04559	0.1
105.07019	0.1
107.04950	1.2
107.08605	0.3
109.06522	0.3
109.10148	1.8
111.04433	0.3
111.11708	1.6
117.07007	0.8
119.04952	0.2
121.06505	2.0
121.10079	0.1
122.75051	0.1
123.04420	100.0
123.11650	0.7
124.04749	2.6
125.05968	0.2
125.13248	0.7
130.10672	0.1
131.04927	0.2
131.08569	0.1
135.07028	0.2
135.08040	2.2
137.05968	3.5
137.13223	0.3
138.06325	0.1
139.14874	0.1
145.06479	1.1
147.08031	0.1
148.05183	0.2
149.05966	24.6
150.06297	0.8
151.07516	1.0
162.06781	0.2
163.07529	35.8
164.07971	1.3
165.09102	0.5
173.09541	0.1
177.09096	3.4
178.09421	0.1
179.10684	0.4
191.10674	0.6
193.12228	0.3
193.19479	1.2
205.12239	0.5
207.13786	0.4
219.13791	0.4
221.15367	0.8
233.15326	0.3
235.16885	0.9
247.16879	0.3
249.18509	0.1
261.18436	0.2
274.89484	0.1
299.23697	0.2
317.24710	38.0
318.25070	3.4
336.83322	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	318.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88003	0.7
56.22890	0.7
56.96564	0.9
61.02920	0.8
67.05462	0.7
69.03407	2.3
69.58195	0.7
69.58530	3.0
73.02901	2.0
75.87037	0.8
81.03397	1.7
84.04530	4.6
85.02904	9.1
91.04019	0.8
95.01331	40.1
97.02892	6.5
97.65894	0.7
98.97562	3.6
109.02895	1.2
110.02419	4.6
116.98660	1.1
120.13427	0.7
121.02889	1.6
121.06506	2.1
125.02352	15.4
127.03915	0.8
128.00201	0.9
134.99736	0.7
138.05499	43.1
139.03911	6.9
139.05795	1.0
145.04977	0.9
146.01314	1.0
153.46512	0.7
156.06552	100.0
157.04959	18.9
157.06279	1.0
157.06931	1.9
157.52602	0.7
164.02301	0.8
171.03378	0.8
180.06540	1.4
193.65552	0.8
197.68864	0.8
218.06932	1.1
258.06467	1.0
265.10321	0.8
268.50476	0.7
276.07663	3.8
294.94299	1.6
301.11584	0.8
318.12344	6.6
319.13596	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	318.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01868	2.7
57.03427	5.2
61.02929	10.3
62.56754	1.1
62.96756	1.3
65.03924	2.6
69.03436	19.1
70.06599	57.3
70.57961	1.5
71.05009	2.5
73.02914	4.2
81.03412	6.8
81.99518	1.2
82.06590	1.8
85.02911	83.7
86.09706	2.0
87.04482	2.3
91.03953	5.3
91.05479	2.4
93.07037	4.0
95.04960	2.7
97.02896	20.9
99.04426	3.5
103.05461	1.8
109.02873	5.0
112.07606	2.3
113.08350	1.7
121.02878	66.6
121.06512	59.9
122.03211	2.6
127.03923	17.2
128.03447	1.6
130.06514	5.0
132.04453	2.4
136.82124	1.2
138.05498	13.5
138.09103	2.8
139.03906	100.0
140.04236	3.5
140.07071	4.8
144.62393	1.4
145.04967	31.0
145.06174	2.4
145.06511	1.7
154.04999	4.3
156.06557	15.6
156.10176	5.8
157.07649	2.8
158.05995	3.9
159.08020	1.8
159.09262	1.9
163.05995	7.0
163.80220	1.3
169.06680	2.1
174.11264	15.6
175.07333	1.9
175.08760	6.8
179.07025	1.9
180.08737	2.0
187.07552	12.5
191.06985	1.4
201.09204	1.6
202.07065	3.4
203.08189	3.5
205.08562	6.1
221.09195	13.4
228.08682	3.4
229.08614	4.4
246.09756	3.9
247.09659	4.5
265.10703	3.1
276.97437	1.3
283.10892	1.5
300.14133	1.4
301.12357	2.9
318.11707	10.6
318.14871	5.0
318.19086	11.4
319.13348	5.5
322.47275	1.2
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
54.87986	0.5
55.05511	0.7
57.03422	1.8
61.02913	1.2
69.03425	4.5
69.07062	0.8
70.06590	1.0
71.30648	0.5
73.02892	0.5
81.03404	2.0
82.06554	1.7
83.07354	5.7
85.02904	12.2
86.09701	0.7
91.03963	0.7
91.05476	1.0
93.07037	2.2
95.04986	1.1
95.07377	1.1
95.08590	1.4
96.04479	3.3
96.08118	2.6
97.02885	4.3
97.05273	1.4
97.08927	0.7
98.97592	1.1
99.04475	1.0
100.07611	1.0
103.05467	0.8
105.04486	0.5
109.02882	1.5
109.06479	0.8
110.06041	6.5
110.09666	3.4
111.08098	1.0
113.08352	3.0
114.09150	1.0
117.07087	0.6
121.05612	1.1
121.06502	20.5
122.85505	0.6
125.08346	1.0
126.09141	6.7
127.03915	2.0
138.05516	2.3
138.09131	18.5
139.07530	3.0
140.10706	2.2
145.04990	2.7
155.91086	0.5
156.06630	4.7
156.10201	100.0
157.10861	2.7
158.12590	0.6
168.10191	1.5
173.42741	0.5
174.11258	42.0
175.11627	1.3
176.94565	0.6
180.10191	1.0
187.07526	0.9
198.11284	1.0
205.08563	0.6
247.09874	0.7
265.10693	0.8
274.16324	1.1
294.94125	0.8
296.14401	0.7
300.17972	0.6
318.11575	7.5
318.15762	6.5
318.19110	46.7
319.15808	0.8
319.19495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01865	3.0
57.03424	5.3
61.02927	10.7
69.03427	19.3
70.56339	2.2
73.02905	5.0
77.71772	1.1
81.03425	7.6
85.02908	100.0
86.03217	2.2
86.09717	1.9
87.04464	3.1
91.03954	7.4
91.05485	2.7
93.07034	3.6
95.05005	1.4
97.02899	23.4
99.04458	3.4
103.05477	1.9
109.02898	6.8
113.08360	2.7
118.92332	1.3
121.06506	86.6
122.06867	1.5
123.04441	2.0
127.03929	19.7
138.05438	1.7
139.03906	4.4
143.84995	1.7
145.04953	40.8
145.06372	2.2
151.07573	1.4
156.06569	5.5
156.10170	1.6
159.08057	4.0
163.06075	6.9
174.11281	14.2
175.07538	2.6
179.06934	2.8
180.08633	4.0
187.07567	16.5
205.08609	10.2
229.08603	6.3
235.09770	1.5
247.09666	5.7
265.10638	4.5
275.01862	2.0
280.90680	1.4
296.58316	1.2
302.12463	1.5
308.30142	1.3
318.12213	2.9
318.18954	13.8
318.29892	1.9
319.08032	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87863	1.5
50.98614	1.5
55.01856	2.7
55.05511	2.1
57.03437	5.6
61.02930	11.7
62.34249	1.8
65.03945	1.9
67.05510	2.4
69.03428	15.4
69.07107	2.3
70.06596	64.8
70.73249	3.2
71.04978	2.2
71.06913	1.7
72.08158	5.0
73.02917	4.2
74.38130	1.5
76.61356	1.8
76.74917	1.6
79.91517	1.5
81.03424	5.9
84.04521	2.6
85.02908	100.0
86.03272	1.7
86.09731	1.7
87.04469	2.5
91.03976	6.0
91.05519	1.8
93.07049	6.4
95.04977	4.6
97.02900	26.6
98.90549	1.7
98.97566	3.0
99.04468	3.9
103.05489	2.1
105.07043	3.5
109.02873	11.2
110.09668	3.7
113.08429	2.7
116.98572	2.3
120.03345	2.1
121.02869	54.0
121.06509	69.6
122.06897	2.8
127.03921	21.0
128.07082	2.4
130.06512	4.2
138.05499	17.1
138.09157	11.7
139.03906	81.0
139.04987	4.0
140.07065	6.6
141.05049	1.8
141.06908	1.8
145.04956	37.0
145.06160	3.1
145.06544	2.3
154.05000	6.1
155.06941	1.7
156.06512	17.4
156.10229	8.9
158.06027	6.9
159.08075	3.4
163.06004	6.3
174.11275	16.7
175.07387	1.8
175.08765	8.4
179.06937	2.0
180.08687	4.7
182.08209	2.8
187.07506	16.3
201.12389	2.0
202.07243	2.6
203.08165	4.7
205.08589	13.2
221.09201	16.7
222.62190	1.8
228.08597	1.6
229.08595	3.9
235.09595	1.9
246.09717	3.9
247.09764	5.6
265.10776	3.5
283.16217	2.0
300.13788	2.5
301.12466	2.7
313.02420	2.3
318.11966	24.4
318.18713	13.6
319.13614	8.4
319.18973	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	318.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55116	0.3
55.05497	0.4
57.97181	0.3
60.33917	0.3
65.03967	0.3
69.03400	0.4
69.56443	1.4
73.02934	0.3
73.06547	0.9
73.32471	0.3
81.07036	0.4
82.06577	3.8
83.07353	0.4
85.02913	2.4
89.18195	0.3
91.05503	0.5
93.07024	0.6
94.06573	0.4
95.04945	0.5
95.07343	1.6
96.08135	2.4
97.02885	0.8
97.08878	0.6
98.06075	0.4
98.97580	0.8
99.06822	0.5
100.07610	0.4
102.16600	0.3
113.08383	13.5
114.09176	0.8
121.06509	6.9
126.09126	0.9
127.03885	0.4
137.16519	0.4
138.05487	0.8
138.09125	1.2
139.07539	0.6
139.09924	1.2
140.10710	2.8
145.04964	0.5
149.05966	0.5
151.03922	0.4
151.07571	0.7
156.06544	3.1
156.10202	6.2
157.11000	5.3
172.94029	0.4
174.11258	100.0
175.11629	3.2
190.05727	0.3
210.51813	0.3
246.09886	0.3
268.15582	0.5
274.16522	1.1
277.12885	1.0
300.18002	1.3
302.12576	0.7
318.12094	5.3
318.19101	92.6
319.12305	0.7
319.15527	0.8
319.19339	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	318.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
54.03488	0.6
55.05286	0.5
55.05513	4.5
55.88914	0.4
57.07071	0.8
64.74401	0.4
64.93843	0.3
67.05507	5.6
68.05012	0.6
69.07072	3.0
69.88084	1.0
70.06583	0.8
71.08619	0.4
79.05492	6.4
81.05792	1.5
81.07063	5.1
83.01347	1.6
83.08615	1.1
88.07654	0.5
89.06027	0.5
91.05476	1.8
93.07045	1.3
94.06593	1.0
95.04983	1.4
95.08595	3.7
96.08129	6.7
96.35271	0.4
97.10216	0.5
98.23383	0.7
105.07008	1.1
106.06550	1.3
107.04966	1.7
107.08614	0.8
109.05255	1.1
109.06527	0.9
109.10155	1.2
110.06059	0.6
117.07004	0.8
119.08624	0.7
121.06517	1.5
121.10172	0.7
122.06023	1.4
123.04441	1.8
123.06815	3.4
124.07594	56.3
125.05986	1.6
125.07925	1.2
126.05521	1.1
129.06993	0.7
131.08534	0.6
133.06480	0.5
135.08080	1.0
136.07571	0.7
137.05988	9.2
138.05496	0.8
139.06313	2.1
140.07056	5.1
147.08067	1.3
149.09631	0.9
150.05446	0.4
151.06297	1.1
151.07512	0.8
152.07069	100.0
153.05460	2.0
153.07420	3.1
154.75864	0.4
159.08104	0.7
161.05940	2.2
161.09601	0.5
163.07535	5.7
164.07083	0.7
166.08609	0.9
175.07544	2.4
177.09100	7.3
178.08690	1.5
179.07021	0.5
189.09180	1.3
191.10759	0.5
191.64423	0.4
192.10147	3.4
199.11185	0.4
203.10654	0.6
205.12306	0.5
206.11714	0.6
217.12253	1.2
229.27632	0.4
256.26245	0.7
273.22107	0.9
283.20511	0.7
301.21521	2.2
318.24277	31.7
318.30261	1.5
319.24625	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	319.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08200	0.8
56.96564	9.2
64.01265	0.7
67.35405	0.7
71.95266	0.8
88.36576	0.8
98.97582	100.0
99.97903	2.6
100.97235	0.9
100.97970	1.8
102.96842	2.8
116.98625	54.2
117.98974	1.8
118.98251	0.9
120.97945	1.5
134.99663	15.8
141.96080	0.7
153.00694	1.4
163.54367	1.0
172.94304	1.7
179.00696	1.6
190.95395	2.5
214.95338	1.2
216.98691	3.5
232.96397	3.6
234.99788	5.1
240.98735	4.1
252.96931	0.9
254.93262	1.6
256.96442	4.5
258.99771	47.7
259.99933	6.6
260.99564	1.5
272.94406	3.2
274.97516	39.0
275.97772	3.4
276.97635	6.3
277.00800	53.4
277.03885	1.9
277.97760	1.5
278.00980	8.6
278.96793	5.8
279.00580	1.7
282.01480	1.3
290.95306	1.4
292.98547	16.6
294.98416	2.5
295.05331	1.0
295.95874	3.2
296.97809	2.6
297.99042	1.3
300.02203	1.3
313.96899	1.0
314.52478	0.8
314.95340	1.5
316.98819	1.1
318.98499	1.8
336.95465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.045
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01866	0.4
55.05526	0.2
65.03931	0.3
67.01868	0.3
67.05503	0.3
68.99789	3.5
69.03420	0.5
69.43539	0.5
79.01872	0.3
79.05490	0.3
81.03411	0.4
81.07044	0.2
91.05489	0.2
93.03412	0.4
95.08606	0.2
97.02895	0.3
98.22620	0.1
103.05454	0.2
105.03471	0.1
105.07037	0.2
107.01297	0.3
107.04960	0.1
109.02875	2.1
111.00800	4.7
111.04443	0.8
115.05515	0.2
121.02858	0.6
121.06522	0.5
123.04410	0.2
125.02360	0.8
126.03116	0.5
127.03944	0.8
133.02791	0.3
133.06480	0.5
135.08058	0.2
137.02328	4.4
137.05974	1.5
139.03960	0.8
142.56593	0.1
143.03317	0.2
143.04945	0.2
147.04456	0.3
149.02364	0.4
149.06012	0.1
151.03929	0.3
153.01822	22.4
153.05415	0.5
153.09106	0.2
154.02167	0.7
161.02290	0.3
161.05988	0.7
163.03909	0.2
163.07529	0.5
165.01842	6.3
166.02614	1.3
167.03271	0.2
171.04420	0.6
173.06087	0.2
175.03885	0.5
177.05447	0.8
177.09102	0.3
179.03378	2.6
181.08632	0.5
183.02901	1.8
189.01852	0.3
189.05444	1.8
193.01332	0.7
193.04945	0.3
194.02075	0.2
195.02898	1.4
199.03879	0.9
199.09613	0.2
203.03410	1.5
207.02939	1.0
208.03651	0.3
209.04463	0.2
216.04250	0.2
217.04955	7.6
218.05208	0.3
219.02902	0.5
221.04443	0.8
227.03374	1.0
229.05045	0.7
231.02936	0.6
232.03679	0.4
233.04453	0.2
235.02376	0.4
235.06009	0.6
239.01917	0.4
244.03688	0.6
245.04448	9.0
246.04861	0.6
255.02890	1.4
263.05466	1.4
272.03052	0.3
273.03928	8.8
274.04391	0.5
283.02365	0.3
290.04160	2.1
291.04877	0.4
301.03516	1.6
301.21729	0.2
302.03818	0.2
319.04459	100.0
320.04791	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	319.0789
Annotation	Flustramine C
Peak:m/z	Relative Intensity
70.06600	18.9
85.02923	8.0
91.19195	5.2
109.02890	15.3
113.20438	5.7
116.07063	11.8
117.32140	5.7
136.60590	5.5
141.05502	12.1
144.10245	7.3
157.04860	7.2
175.11801	6.3
221.99313	8.4
245.58110	6.5
261.14008	6.5
319.07465	100.0
319.16150	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	319.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19735	0.3
56.96566	1.2
61.51007	0.3
69.03414	0.4
70.06602	0.6
70.17557	1.0
85.02895	0.7
98.22672	0.4
98.97610	2.6
109.02865	0.6
116.98624	1.0
123.04426	0.5
134.99683	0.5
139.08623	0.4
141.05452	0.6
149.63684	0.3
156.06622	0.8
157.04825	0.6
157.06871	0.5
157.09737	0.5
174.99100	0.8
177.00760	0.3
185.04323	0.5
193.00134	0.4
197.02895	0.3
202.44861	0.3
204.41083	0.4
222.05461	0.4
254.94347	0.4
255.05347	0.4
258.99817	0.6
272.95322	0.7
277.00891	0.5
295.06015	0.6
301.06161	0.6
319.10001	100.0
320.10349	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	319.1002
Annotation	Chlorpromazine
Peak:m/z	Relative Intensity
52.35806	0.4
52.92473	0.3
56.96560	1.0
64.71041	0.3
70.06591	0.4
71.43154	0.5
98.97577	1.7
109.02889	0.5
116.98611	1.1
125.13659	0.4
133.35435	0.3
134.99724	0.5
139.08655	0.5
141.05463	0.5
150.92247	0.3
156.06595	0.7
157.04840	0.6
157.09682	0.5
174.99097	0.4
212.85304	0.4
252.48123	0.4
258.99792	0.8
277.00815	0.7
319.10019	100.0
320.10388	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	319.227
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.23435	0.6
55.01617	1.3
55.01872	19.3
55.05511	5.9
57.03426	1.8
57.07066	3.2
59.04990	0.8
60.04541	0.8
67.05507	5.9
69.07072	4.4
69.77087	1.5
69.77423	1.2
71.08640	0.8
74.06090	1.1
79.05480	3.7
81.07052	6.4
83.01332	0.9
83.04977	2.9
83.08603	1.9
85.06538	2.1
86.10558	0.6
88.07637	4.1
89.07957	0.9
91.05473	2.5
93.07021	3.2
94.45644	0.7
94.70150	0.7
95.04995	0.8
95.08596	5.2
97.06542	7.8
107.04967	1.2
107.08597	1.6
109.06531	3.0
109.10175	1.4
113.09605	1.0
118.08742	0.7
121.06519	1.2
125.05979	5.8
129.57832	0.7
135.08003	1.8
137.05974	100.0
138.06371	2.0
151.07545	4.8
153.05484	0.8
161.05988	1.1
163.07545	18.9
175.07492	3.5
177.09131	7.6
189.09151	5.1
191.10632	1.1
193.12242	0.8
201.61537	0.7
203.10728	1.2
217.12207	0.8
221.15369	1.0
227.86362	0.6
231.13802	14.1
249.14868	26.0
250.15091	1.7
270.27725	1.0
271.28232	2.9
277.17990	1.1
301.21429	1.3
318.29904	3.8
319.22626	42.3
319.30304	11.4
320.22949	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
55.05501	1.8
56.05032	1.1
57.07066	1.3
58.06589	0.8
60.04512	0.9
67.05495	2.7
69.07050	0.8
69.22931	2.9
70.06570	0.8
71.04987	1.0
74.06063	0.7
79.05486	1.6
79.53518	0.5
81.07052	4.3
83.08603	1.5
88.07622	5.1
89.07971	1.1
91.05494	2.6
93.07030	0.8
95.04927	0.7
95.08595	4.5
98.97575	0.7
107.08557	0.5
109.06522	2.6
109.10156	1.2
118.08636	0.9
122.08186	0.7
125.05979	0.8
135.11620	0.5
137.05969	100.0
138.06308	2.4
139.46248	0.6
140.05951	0.5
147.07988	0.5
151.07541	1.2
163.07574	2.7
177.09100	2.8
177.16379	0.7
191.10751	0.6
237.77226	0.5
256.26199	0.6
257.26672	1.3
270.27893	1.4
271.28259	3.2
275.23657	0.6
301.21567	0.5
318.29910	3.2
319.18811	1.3
319.22537	15.7
319.30307	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	319.2269
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
55.01619	0.8
55.01876	14.3
55.05514	6.7
56.02212	0.6
57.03429	1.3
57.07064	1.8
58.47766	0.6
66.95264	0.5
66.95650	0.6
67.05511	6.9
69.07082	3.6
69.25946	1.4
69.26340	2.8
71.04975	0.8
79.05499	3.7
81.07057	5.2
81.89199	0.5
83.04990	3.9
83.08629	2.1
91.05515	1.1
93.07059	3.3
95.08601	4.4
95.12917	0.6
97.06520	8.5
107.04950	2.3
107.08603	2.2
109.06525	1.5
109.10164	1.1
121.06498	1.1
121.10172	1.1
123.04440	1.8
125.06004	5.3
131.08475	0.6
135.08084	0.8
137.05975	100.0
138.06390	2.6
151.07507	4.5
153.05443	0.8
161.06046	0.7
161.38452	0.6
162.06865	0.6
163.07541	23.8
165.09070	0.7
175.07550	2.9
177.09103	8.9
177.10564	0.9
189.09096	4.8
190.09627	0.6
191.10648	0.7
203.10689	0.9
217.19038	0.6
221.15352	3.4
231.13803	9.4
236.43141	0.6
249.14861	40.1
250.15227	2.2
277.18036	1.9
301.21686	0.9
319.22668	60.0
320.22946	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	319.2633
Annotation	(plusmn)-CP 47,497
Peak:m/z	Relative Intensity
50.29991	0.3
51.65522	0.3
55.05260	0.6
55.05512	7.8
56.73072	0.3
57.07079	3.0
67.05510	1.6
68.99777	0.4
69.07072	5.0
69.21690	0.7
69.22085	1.8
71.08636	1.9
83.08633	2.1
84.78162	0.3
85.10188	0.7
85.93008	0.3
95.04984	2.2
97.10146	0.7
106.87885	0.3
109.06482	0.3
111.04442	1.2
123.04432	100.0
124.04746	2.0
137.05974	2.9
140.11650	0.3
151.07532	0.6
165.09126	0.4
168.11882	0.3
169.55353	0.3
263.51956	0.3
319.26337	18.3
320.26712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.4
55.05518	1.0
56.61493	1.0
57.03447	1.1
58.39406	0.8
61.02927	1.3
67.05501	4.2
69.22342	0.9
71.05003	2.9
79.05487	20.2
81.03394	1.3
81.07062	2.5
85.02900	3.0
91.05483	23.1
93.07040	55.5
95.04991	2.2
95.08594	1.1
95.14799	1.0
96.91615	0.9
97.06497	0.9
103.05504	1.0
105.07001	2.5
107.04947	20.2
107.08592	21.0
109.10112	1.6
111.04421	1.0
111.08057	3.0
113.41039	1.0
115.05446	1.0
117.07012	24.7
119.06103	0.9
119.08585	3.8
121.06502	20.9
125.09636	3.8
135.08051	86.3
136.08356	2.5
137.05952	3.0
137.09616	3.6
139.07541	2.3
145.06458	7.0
153.09105	23.7
163.07541	56.0
164.07936	2.5
171.10139	1.5
181.08591	100.0
182.08971	4.0
199.09650	64.5
200.10092	2.4
229.81966	1.2
233.60875	1.2
267.08545	4.7
285.09613	5.5
303.10754	2.8
320.04895	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	320.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01869	1.3
57.03421	1.3
57.55651	0.9
61.02916	5.3
67.48889	0.9
69.03423	7.3
69.54826	3.6
71.29540	1.0
73.02909	1.8
81.03423	8.7
82.22108	0.8
85.02905	35.9
87.04456	1.1
91.03954	3.6
97.02902	8.3
99.04458	1.7
109.02879	87.5
110.03194	1.8
116.47236	1.0
119.55446	1.0
120.22874	1.0
121.50652	1.0
127.03913	6.5
133.02895	0.9
141.05466	100.0
142.05772	2.0
145.04950	11.7
160.72038	1.0
177.05484	1.8
180.08687	4.5
207.06554	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	320.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51471	0.2
55.05515	0.5
56.05010	0.3
56.19463	0.3
67.05500	0.6
67.81127	0.2
69.07064	1.1
69.40572	1.0
70.06601	0.3
72.04485	0.3
74.06075	1.0
79.05489	0.8
81.07066	2.3
91.05467	0.6
93.07052	4.7
94.07374	0.3
95.08600	1.1
98.97581	0.5
100.07592	0.5
105.07068	0.6
107.08591	1.6
108.08128	0.4
109.10161	0.6
119.08588	0.9
121.10115	0.5
124.07588	1.0
133.10097	0.6
134.09625	0.5
135.11691	2.1
138.09142	0.4
140.10741	0.6
146.09634	0.7
147.10425	0.6
147.11650	0.3
148.11201	0.5
151.09875	0.3
152.10707	1.5
154.12260	0.8
161.13290	0.5
162.12791	12.6
163.13065	0.4
164.10704	1.2
166.12262	0.4
176.14317	0.5
178.12225	1.3
179.12985	0.3
180.13875	1.8
188.14334	0.5
190.12268	0.8
191.13211	0.3
192.13863	0.9
193.14464	0.3
206.15405	100.0
207.15771	4.6
208.16971	3.1
218.51401	0.2
220.17085	0.3
222.18533	32.0
223.18840	1.4
250.18037	4.9
320.25824	78.9
320.85797	0.3
321.26175	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	321.0947
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
58.99650	3.9
60.07999	4.2
60.61829	3.7
65.14443	5.2
69.62754	15.2
70.06577	4.8
111.05591	8.8
119.01845	4.2
123.05595	4.6
141.06612	18.3
158.13361	4.5
158.96062	4.5
159.07594	11.0
187.69189	4.9
189.98087	5.5
247.03130	4.5
320.98007	5.5
321.05798	9.8
321.09494	100.0
322.05460	5.6
322.09567	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	321.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.1
53.03942	0.2
55.01873	0.6
55.05510	0.3
57.03427	0.2
58.08047	0.1
58.82471	0.1
61.02922	0.2
63.02360	0.2
65.03940	2.8
67.01842	0.1
67.05492	0.1
67.33548	0.1
68.99783	0.6
69.03426	2.0
69.07060	0.1
70.03720	0.1
70.18300	0.1
71.01363	0.4
71.05000	0.3
72.08154	0.1
73.02899	0.1
76.49408	0.1
77.03897	0.1
79.05505	0.2
81.03418	2.2
81.07065	0.2
83.04991	0.6
84.08122	0.1
85.02908	1.6
87.00834	0.9
87.04460	0.1
89.03898	0.1
91.05479	100.0
92.05812	2.9
93.07028	0.1
94.06559	0.1
97.02901	0.7
99.04446	0.6
103.03969	0.1
103.05449	0.3
105.03413	0.3
105.07040	1.1
107.04922	0.1
107.08600	0.1
109.02876	1.9
110.03270	0.1
111.04437	0.5
113.02370	0.1
115.05458	0.6
117.07018	3.6
118.06554	0.3
118.07269	0.1
119.04961	0.6
119.08556	0.3
121.06546	0.1
122.06014	0.5
124.07404	0.1
125.02368	0.1
126.03111	0.1
127.03916	1.1
128.06213	1.7
129.01826	0.4
129.07004	2.7
130.06497	0.3
130.07390	0.1
130.08649	0.2
131.04915	0.2
131.08551	0.6
132.08092	0.4
132.08948	0.1
133.06459	0.5
136.07605	0.2
139.03900	0.2
140.07050	0.4
141.06995	0.5
143.08563	2.1
144.05733	0.1
144.08047	0.2
145.06485	1.9
146.06003	0.8
146.06985	0.1
147.02901	0.2
147.04340	0.1
147.07990	0.5
150.05527	0.1
152.06169	0.1
153.01875	0.1
153.06982	0.9
155.04919	0.7
155.06081	0.4
155.08524	0.1
157.06487	0.4
159.04353	0.1
159.08054	0.3
161.06012	0.1
162.05518	0.6
163.06268	0.1
164.07080	0.1
164.10736	0.1
169.06467	0.5
171.08047	2.3
172.09740	0.1
173.04512	0.1
173.05963	1.2
174.06346	0.1
175.07547	1.0
177.05540	0.1
181.01285	0.2
181.06485	1.2
182.09665	0.1
183.02884	0.1
187.07532	0.2
188.07056	0.9
189.03931	0.1
189.09099	0.1
199.07533	2.6
200.07867	0.1
215.07179	0.1
217.08591	1.8
218.09024	0.1
225.05518	0.1
235.09665	0.1
242.11842	0.3
258.11267	0.2
259.09579	0.1
259.14413	1.0
259.17120	0.1
285.12143	0.1
298.19318	0.1
303.08710	0.1
303.13434	1.1
303.16940	0.1
304.13733	0.1
321.09793	0.2
321.14481	0.1
321.17993	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79620	0.2
53.03934	0.3
55.01865	0.7
55.05508	0.3
61.02934	0.5
65.03944	2.9
67.05499	0.7
68.99784	0.5
69.03429	2.0
69.07072	2.7
69.48567	0.9
71.01355	0.4
71.04984	0.3
79.05511	0.3
81.03421	2.3
81.07072	0.4
83.04989	0.9
85.02915	1.8
87.00840	0.6
91.05484	100.0
92.05820	2.3
93.07043	0.2
94.06570	2.7
95.04981	0.7
97.02894	0.7
98.06018	0.2
99.04482	0.3
105.03393	0.3
105.07028	0.9
107.07334	2.8
109.02893	1.5
110.06089	0.3
111.04433	0.8
112.07614	1.5
115.05464	0.5
117.07021	3.6
119.04973	0.6
120.04482	1.0
122.06032	8.4
123.04435	0.3
123.06346	0.2
124.07608	0.3
127.03895	1.2
128.06232	1.7
129.01852	0.4
129.07001	2.5
131.08574	0.7
133.06442	0.4
134.06003	0.3
136.07549	0.3
140.07069	11.3
141.06966	0.4
142.08644	0.7
143.08548	1.7
145.06505	1.8
147.08037	0.8
153.01845	0.8
153.06963	1.2
155.04927	0.7
155.06059	0.4
157.06465	0.3
159.08025	0.2
162.05507	16.8
163.06317	2.5
164.07071	3.8
170.69408	0.2
171.08038	1.7
173.04584	0.3
173.06023	1.3
173.07260	0.2
175.07550	1.1
180.06561	0.5
181.06502	1.0
187.07455	0.4
191.13477	0.2
199.07567	2.8
216.10143	0.4
217.08598	1.5
240.10210	0.4
258.11246	4.5
272.99759	0.3
282.83875	0.2
285.12311	2.7
286.10748	0.7
303.13397	29.8
304.13687	1.9
321.09671	0.4
321.14462	1.8
321.24246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1545
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.03941	1.0
55.05512	5.5
57.03435	2.1
61.02922	0.7
65.03938	0.8
66.34167	0.6
67.01816	0.5
67.05505	17.7
68.60559	0.5
69.03413	1.1
69.07076	3.6
69.41176	1.3
69.41569	1.3
71.04980	2.9
71.87502	0.6
79.05509	0.9
81.03430	1.3
81.07046	2.5
85.02901	2.4
85.06555	3.4
87.04470	0.9
91.05479	0.9
93.07043	4.1
94.46056	0.6
95.05010	0.8
95.08608	100.0
96.08942	2.8
97.02866	1.0
98.22662	0.7
99.04437	3.9
102.93841	0.5
113.09624	1.7
123.08073	54.5
124.08411	1.3
139.03894	2.3
141.09103	77.2
142.09435	2.4
153.01817	2.2
153.05516	1.4
159.10158	1.9
160.07576	0.7
176.88943	0.6
177.05470	0.7
177.63068	0.6
190.61920	0.6
219.06487	0.7
303.13345	1.2
321.12888	1.0
322.21198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32538	0.6
65.20853	0.9
67.05508	0.9
69.21302	3.5
79.05507	1.2
81.03446	0.6
81.07057	1.6
90.18714	0.5
91.05484	2.6
93.07056	1.2
95.04966	0.7
95.08630	0.8
105.07028	1.1
107.08601	0.7
115.05465	2.4
117.07011	4.6
118.06543	53.1
119.07316	2.8
126.01062	1.3
130.06534	0.8
132.08119	0.9
134.09651	100.0
135.10014	3.5
142.06534	5.3
143.07323	5.3
144.06941	1.2
144.08081	23.3
145.08516	0.7
146.06004	99.8
147.06348	3.3
155.05916	0.8
160.07574	0.9
170.06001	7.9
174.09142	1.4
188.07063	96.7
189.07436	5.0
192.10165	2.4
206.15443	1.3
207.15753	1.2
222.18539	0.8
223.18851	0.7
277.14795	1.0
321.15985	17.0
321.26685	1.1
322.16241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98664	0.9
69.07065	1.4
88.21236	0.9
93.07013	1.1
95.04986	1.0
95.08561	1.0
98.22700	2.3
98.36672	0.9
107.08569	1.5
109.10173	1.6
123.66370	0.8
144.08113	2.3
151.07559	1.0
158.35793	0.9
164.44264	1.1
168.57384	0.9
178.33482	0.9
184.70833	0.9
190.35023	0.9
223.18791	0.9
241.41351	1.1
272.20172	1.0
321.16705	100.0
321.26132	8.7
322.17096	6.9
322.23566	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	321.1697
Annotation	alpha-Zearalenol
Peak:m/z	Relative Intensity
61.02916	2.7
69.03448	3.8
69.07066	3.3
69.11301	4.9
69.11723	7.8
71.08627	2.6
79.05475	2.5
81.07022	2.0
85.02919	2.9
91.05511	3.7
93.07039	3.3
95.08592	2.4
97.02886	10.7
103.03956	2.2
105.07005	3.8
107.04973	11.6
109.06523	3.2
110.67569	2.2
112.10723	1.9
121.06490	17.7
123.08080	4.3
131.04922	2.0
135.08049	8.5
137.05949	5.0
145.06468	5.1
147.04391	2.6
147.08031	5.3
148.05206	2.7
149.05975	3.1
151.07538	12.4
159.08029	3.1
160.05193	2.3
161.05983	7.0
163.07582	11.5
171.07983	1.7
174.06741	6.4
175.07570	29.2
176.04701	3.0
177.09145	3.0
177.12756	6.4
189.05560	2.5
191.06949	2.5
191.14372	4.0
207.13803	100.0
208.14119	3.9
219.13797	5.3
231.13797	69.0
233.15419	13.3
246.12515	5.1
257.15384	8.4
258.15665	2.1
259.13434	8.7
261.14856	25.2
273.14871	2.6
285.14804	6.8
291.15921	7.6
303.15939	15.4
321.13232	3.3
321.16891	27.7
321.24985	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05265	0.4
55.05512	6.7
57.03442	1.6
57.07085	1.5
59.04998	0.7
66.38855	0.3
67.05506	4.3
69.07066	2.8
71.05004	0.5
71.08629	31.9
72.08949	0.5
75.36971	0.2
76.29460	0.3
79.05500	1.5
80.94855	0.9
81.07053	6.1
82.07439	0.3
83.01329	0.9
83.08617	4.5
85.06541	0.8
91.05476	0.7
93.07053	0.5
95.04989	0.5
95.08593	4.6
97.10172	1.5
99.08093	18.1
100.68710	0.3
107.04945	0.9
107.08604	0.9
109.06495	0.9
109.10167	3.7
110.03725	0.3
121.06479	1.2
123.04359	0.6
123.11717	1.4
123.85204	0.3
124.04721	0.4
125.05987	13.6
126.06344	0.4
127.11186	1.3
135.08054	0.4
137.05974	37.7
137.13257	0.4
138.06828	2.5
139.07101	1.7
143.17929	0.3
148.63333	0.3
149.09532	0.5
151.07523	1.2
159.08023	0.3
163.07547	3.4
164.07780	0.3
177.09111	6.7
179.18015	0.6
191.10646	1.1
197.19026	0.9
303.23215	1.2
321.24225	100.0
322.24576	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	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03946	0.3
55.05511	6.8
57.03437	1.5
57.07079	1.1
59.05001	0.8
60.91466	0.1
65.03949	0.2
65.42543	0.1
67.05504	4.9
67.05863	0.3
69.07064	2.5
71.04996	0.4
71.08630	31.5
72.08970	0.6
77.03911	0.1
79.05488	1.5
80.94859	0.5
81.07056	5.6
83.01324	0.8
83.08617	4.2
85.06550	0.5
85.10181	0.1
91.05453	0.6
93.07048	0.6
95.04967	0.2
95.08604	4.7
96.21609	0.1
97.06532	0.2
97.10167	1.6
99.08093	17.1
100.08421	0.2
104.99255	0.2
105.07014	0.3
107.04953	1.6
107.08601	0.5
109.06500	1.2
109.10159	3.6
110.03686	0.5
111.11750	0.2
116.87812	0.1
117.07009	0.2
119.08561	0.2
121.06495	0.9
121.10198	0.2
123.04402	0.3
123.11694	1.4
125.05988	14.3
126.06254	0.3
127.11191	1.2
131.08536	0.2
135.05521	0.1
135.08055	0.3
137.05975	34.5
137.13216	0.2
138.06281	0.8
139.07550	0.2
141.12769	0.2
149.09625	0.5
151.07509	0.8
159.08015	0.2
162.06773	0.2
163.07538	3.5
164.07835	0.2
164.62241	0.1
177.09106	5.4
178.09492	0.3
179.17958	0.5
191.10670	0.7
197.18982	0.9
221.15303	0.2
251.16437	0.1
303.23215	0.7
321.24225	100.0
322.24564	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	321.2425
Annotation	20-HETE
Peak:m/z	Relative Intensity
50.31210	0.5
53.03952	0.5
55.05513	12.0
57.07075	2.9
67.05498	2.0
69.07069	13.6
70.06581	0.7
71.08638	1.1
72.03483	0.5
72.45768	0.5
79.05472	1.7
81.07060	3.1
83.08610	3.9
85.10183	0.6
89.06033	0.8
90.06367	0.7
93.06985	1.0
95.08608	1.8
97.06531	0.8
97.10157	2.0
107.04982	1.0
109.06517	1.5
109.10166	0.7
111.11737	0.7
121.06516	0.9
123.04431	4.7
125.05987	17.6
126.06347	1.2
130.42513	0.8
135.04391	0.8
137.05975	21.1
137.07021	1.0
138.06517	0.8
141.05452	2.0
149.09702	0.6
151.07521	0.7
153.05464	100.0
154.05791	4.1
159.08105	0.6
163.07545	3.6
177.09099	5.5
205.78616	0.5
303.23132	4.0
321.17981	1.9
321.24136	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	321.2426
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.28497	0.9
53.03951	0.9
55.05515	6.5
57.03415	1.7
57.07075	37.6
63.16431	0.7
66.77645	0.6
67.05505	5.7
69.07071	6.2
69.31295	3.0
71.08611	0.8
73.06533	0.8
79.05489	1.4
80.25919	0.8
80.94847	1.8
81.07059	5.1
83.08617	1.0
85.06057	1.4
85.06544	21.3
88.23532	0.7
91.05495	0.7
93.07066	1.0
95.08598	6.1
97.10170	2.0
97.21920	0.7
97.27232	0.7
101.52016	0.7
107.04958	1.3
109.10152	3.2
110.03713	0.8
113.09649	1.4
121.06501	0.9
123.11654	1.4
125.05994	12.9
135.70659	0.7
137.05972	21.8
138.06664	2.0
139.07106	1.1
145.06476	0.8
151.07605	1.1
163.03867	0.8
163.07538	1.8
177.09102	3.2
179.18089	0.8
302.65201	0.7
303.23239	1.1
321.24207	100.0
322.24512	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	321.2426
Annotation	19S-HETE
Peak:m/z	Relative Intensity
52.60646	0.4
55.05515	5.3
57.07069	2.5
59.04973	0.5
65.03928	0.6
67.00062	0.4
67.05498	3.9
69.07061	2.5
71.04991	0.5
71.08630	18.1
71.38241	0.4
79.05488	0.9
80.94853	0.7
81.07050	3.8
83.08624	3.2
85.06551	0.8
85.10175	0.7
89.06007	2.4
93.07035	0.5
93.30133	0.4
95.08609	2.7
97.10192	0.7
99.08096	9.6
107.04933	1.2
109.06535	0.7
109.10164	2.2
110.03673	0.9
119.08556	0.5
121.06530	0.7
123.04457	2.5
123.11717	1.1
125.05993	7.8
127.11226	0.5
133.08615	0.6
137.05974	23.3
138.06798	3.6
139.07076	2.5
145.06660	0.4
149.05974	0.8
151.07518	1.2
151.09634	1.3
163.07529	3.7
173.09897	0.4
177.09123	4.9
191.10675	1.2
209.66399	0.4
305.26840	0.6
321.24228	100.0
322.24551	7.4
322.28000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22443	0.1
56.96550	0.2
60.42452	0.1
61.58652	0.1
63.11107	0.1
66.28201	0.1
82.99860	0.2
98.97578	2.3
101.00861	0.4
102.00965	0.1
116.98610	1.3
119.01927	0.7
122.57124	0.1
122.97783	0.3
123.98620	0.2
134.99683	0.5
140.98853	0.4
141.99745	0.1
158.99867	1.2
164.98842	0.2
177.00949	10.7
178.01030	0.9
182.83606	0.1
182.99815	1.8
184.00002	0.2
186.35547	0.1
196.94386	0.2
201.00922	7.6
202.01025	0.7
202.93504	0.3
214.95641	0.3
216.98758	0.1
218.03593	0.8
219.02000	100.0
220.02112	9.8
221.02315	0.7
222.02054	0.1
224.02615	0.2
232.96799	0.1
233.03812	0.1
234.55692	0.1
234.99803	0.2
236.99551	0.3
237.03061	0.3
237.97151	0.1
238.95554	1.9
239.95442	0.1
240.98862	0.2
242.03606	4.9
243.03746	0.4
256.96609	7.2
257.96695	0.9
258.99805	1.8
260.00098	0.3
260.04681	0.8
261.02899	1.3
261.97165	0.2
262.03204	0.1
262.95673	0.4
272.94574	0.1
274.94254	0.4
274.97672	1.6
275.04761	0.2
275.97760	0.2
276.04630	0.7
277.00790	1.7
277.04031	0.2
279.98193	1.3
280.96552	1.8
281.96619	0.3
282.99814	0.3
284.00134	0.2
297.99478	0.6
298.18774	0.6
298.97668	37.2
299.18716	0.2
299.97787	3.8
300.97751	0.3
301.00986	0.3
303.98224	0.4
316.19730	0.1
316.98596	0.3
321.99277	5.3
322.99484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03429	1.2
61.02919	1.7
69.03430	4.7
71.04987	0.7
73.02925	0.7
76.07642	0.6
81.03411	1.5
85.02406	0.7
85.02901	10.3
87.04441	1.3
91.03961	0.6
97.02908	3.0
98.97543	0.6
99.04447	0.8
109.02879	1.7
115.05470	1.2
125.09647	2.1
127.03896	2.3
142.06509	6.8
143.10670	0.6
145.02844	1.6
145.04984	1.5
147.14902	0.4
149.02428	0.4
160.07576	100.0
161.07956	3.6
166.78072	0.4
177.05466	2.8
189.89835	0.4
224.30736	0.5
234.11259	1.1
306.16849	0.7
322.10153	0.6
322.12906	11.8
322.16351	1.6
323.12897	0.9
323.19519	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	322.1286
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
55.01873	1.1
55.31961	0.7
57.03426	3.0
61.02918	3.4
63.17048	0.7
64.15274	0.7
67.11818	0.6
69.03436	9.6
71.04974	1.0
72.08149	1.2
73.02919	2.4
79.05518	1.0
81.03411	2.6
85.02908	11.2
87.04476	3.1
97.02915	4.8
99.04466	1.6
109.02898	2.0
115.05441	2.9
117.07030	1.2
118.06635	1.1
125.05981	1.4
127.03922	2.5
130.06500	3.8
132.08083	7.1
139.03900	2.8
142.03275	1.9
142.05402	1.4
142.06528	28.9
143.07288	8.0
144.08081	13.0
145.02859	0.8
155.05997	1.0
158.05997	3.9
159.06721	1.8
160.07579	83.8
161.07945	2.6
177.05515	2.3
185.04022	0.8
202.08539	1.3
203.06975	1.0
215.06953	0.8
217.08710	0.9
233.08270	0.8
234.11194	0.7
245.08157	1.1
261.07785	1.0
270.57825	0.8
306.86447	0.7
317.21628	0.7
322.12851	100.0
323.07367	1.6
323.13156	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	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.7
55.05508	3.8
57.03428	2.3
67.05496	7.6
69.03432	3.8
69.07063	2.6
69.45963	2.4
69.46378	4.7
71.05020	1.5
79.05488	9.5
81.03413	1.9
81.07059	12.0
83.04980	1.5
85.02905	4.6
91.05476	19.9
93.07037	10.5
95.01327	6.1
95.04960	4.1
95.08611	15.1
97.06527	7.5
98.97560	2.5
101.02390	5.5
103.35739	1.3
105.07012	2.1
107.04961	3.3
107.08547	1.3
109.06510	7.4
109.10152	11.0
112.08633	1.9
116.10751	4.7
117.07039	2.6
119.08583	44.1
121.06512	3.1
123.04419	1.8
123.08134	1.5
125.05946	2.8
130.08604	1.4
135.08031	3.2
137.05977	2.9
137.09618	34.5
138.09927	2.9
139.03871	3.6
141.05449	1.9
146.06050	2.4
147.06326	1.8
147.08035	9.3
149.05940	2.5
151.03912	1.5
155.07152	1.6
155.10689	4.0
163.07578	3.8
165.09111	14.8
173.04449	1.3
177.05486	1.7
179.06978	1.7
181.08621	3.3
183.10204	9.1
188.07216	2.0
189.07361	1.9
191.07021	2.6
193.08553	8.5
197.04475	4.3
201.11217	100.0
202.11565	5.2
209.08052	3.0
211.09674	12.1
227.09096	2.4
232.13316	1.7
237.07501	2.2
255.08624	52.8
256.08963	4.2
258.99796	2.2
260.14755	4.5
273.09619	13.7
290.12271	1.7
304.12122	1.5
304.19092	3.8
322.14944	1.3
322.19989	3.6
323.11139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.01873	5.6
55.05515	4.1
56.96572	1.9
57.03431	6.5
67.05506	6.5
69.03432	4.9
69.07083	4.7
69.33396	7.3
71.04974	1.4
79.05500	19.8
81.03397	1.7
81.07056	30.5
83.08588	1.6
85.02911	7.2
90.13593	1.4
91.05485	10.0
93.07043	8.3
95.01340	8.7
95.04974	7.4
95.08611	5.5
97.06531	13.8
98.23489	3.4
98.97574	2.2
99.04427	1.6
105.07044	4.4
107.04964	5.3
109.06519	19.6
109.10162	4.1
111.04420	1.4
111.08101	1.8
113.02376	2.6
116.98637	2.9
117.07014	3.6
119.04955	3.5
119.08591	9.2
121.06503	2.2
122.09586	1.5
123.08047	3.0
125.05952	2.6
129.07040	1.6
131.08623	3.0
133.06497	2.1
135.08046	3.3
137.05989	6.3
137.09641	5.2
139.03925	7.7
141.01863	2.9
147.08078	6.5
149.05994	2.1
155.07065	2.8
163.07541	5.4
165.09123	19.0
167.07100	4.3
175.07594	2.7
181.08641	3.4
183.10155	3.2
191.07076	2.9
193.08617	17.1
197.04443	6.3
199.09645	6.8
201.03868	1.6
201.11241	3.9
209.08174	8.1
209.09790	1.4
211.09691	11.6
227.09181	4.7
232.10303	1.7
237.07684	5.4
255.08629	100.0
256.08960	4.3
273.09698	4.7
277.00671	2.3
287.92929	1.4
290.12466	7.0
322.11002	2.1
322.20297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19662	1.1
55.01871	4.7
55.05509	3.6
58.20820	1.3
59.04961	1.4
67.05505	23.6
69.03416	7.9
69.07085	1.9
69.66142	5.2
71.04991	4.5
79.05486	2.9
81.07049	2.6
83.08626	2.3
87.00842	1.7
91.05480	21.7
93.07039	22.9
95.04954	1.6
95.08606	65.9
96.08935	1.7
98.23384	2.4
98.97569	1.5
99.04465	2.9
101.02386	2.8
105.07021	1.5
109.10154	36.7
113.06002	2.4
119.08576	52.9
121.26215	1.2
123.08074	1.4
132.35445	1.3
137.09613	83.9
138.09982	2.1
147.08072	5.9
155.10663	30.7
165.09114	46.8
166.09515	2.1
173.11719	23.0
173.13092	2.2
183.10165	51.1
184.10529	3.6
201.11217	100.0
202.11580	3.0
258.99591	1.3
269.10172	23.5
287.11270	16.5
305.12360	8.1
319.80585	1.5
322.09738	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	322.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.03424	0.8
61.02924	1.0
69.03429	2.3
70.06598	0.5
71.04993	0.6
79.05505	3.3
81.03426	1.5
81.07047	3.1
83.04970	3.3
83.08604	1.4
85.02908	6.8
87.04491	0.6
91.05475	2.4
95.04953	0.7
95.08642	0.6
97.02887	1.6
97.10220	0.6
98.97549	0.5
105.07040	1.5
107.08596	49.5
108.08945	1.3
109.02888	1.3
109.06539	0.6
114.22905	0.4
125.06025	1.2
125.09634	100.0
126.09965	2.2
127.03881	1.0
130.06470	0.5
139.03885	0.8
142.06552	1.7
143.06989	0.6
143.10741	0.6
145.04951	0.8
146.06007	1.8
153.01830	0.6
154.02109	0.4
160.07573	15.8
161.07933	0.6
167.07059	0.6
177.00137	0.5
179.79813	0.5
192.23950	0.4
220.88902	0.4
255.08804	0.6
264.23135	0.5
273.09662	0.5
276.05847	0.6
318.19876	0.4
322.08963	1.8
322.12955	2.0
322.16510	1.1
322.21063	0.6
323.11285	1.6
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
56.96563	10.0
60.05659	1.7
60.31599	1.5
67.05503	2.0
69.98588	3.2
69.98958	3.7
70.06591	4.2
72.08152	4.5
78.61840	1.6
97.02891	3.9
98.22853	2.4
98.97585	100.0
99.97914	1.9
103.00691	1.7
111.04430	1.7
116.98627	59.2
119.01918	4.8
121.01651	3.0
126.05514	2.7
134.99655	17.5
139.03922	8.5
143.07013	2.0
144.06581	2.1
151.03938	2.3
153.00645	2.0
161.03003	1.9
175.11969	2.4
177.00923	1.9
180.48169	1.7
180.97882	16.4
184.35292	1.7
198.98911	22.0
203.07129	2.4
205.00429	1.8
215.96492	2.6
217.00125	2.0
219.02008	6.6
220.02208	3.0
221.01608	2.1
228.10783	3.6
240.98825	5.1
249.02777	1.9
256.97430	2.6
257.97739	8.9
258.99756	81.1
259.99933	6.3
261.07770	2.7
264.07184	2.7
269.04364	2.7
277.00821	80.3
278.01114	7.8
278.13693	1.6
282.08228	2.1
287.05508	3.2
299.98920	10.0
300.02032	2.4
300.98352	4.4
301.02316	2.7
305.06689	2.5
322.99072	6.4
341.00134	2.4
341.15674	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	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79339	4.7
70.06604	4.8
94.93004	41.8
112.89603	17.4
143.01900	9.3
161.03023	8.0
161.99516	15.9
186.50705	5.4
248.89626	70.4
323.07468	100.0
324.04590	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	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05527	1.4
57.03443	2.0
61.02923	4.1
67.04057	1.0
68.49518	1.0
68.80665	1.0
69.03428	9.9
69.32285	1.1
70.06602	1.4
71.05000	1.8
72.63403	1.0
73.02902	1.2
79.05502	1.2
81.03421	3.4
81.07055	4.2
83.04984	1.5
85.02906	19.8
85.06544	11.4
87.04485	1.8
91.03981	1.7
97.02908	6.6
98.97572	3.8
109.02857	3.4
109.06523	2.4
111.04481	1.5
116.98645	1.6
123.05553	3.3
127.03934	4.2
127.07544	8.4
132.95844	1.7
139.03979	1.8
143.01001	1.3
143.10585	1.2
145.08585	4.7
161.02103	42.7
161.41043	1.2
162.05508	16.5
177.60754	1.0
182.11339	1.0
185.04211	68.2
186.04645	1.7
193.67325	1.1
198.99002	1.9
203.05289	21.5
240.55299	1.1
258.99741	2.9
265.94980	1.5
271.08044	2.0
282.98990	2.1
294.00021	1.2
305.11514	1.3
320.32025	1.2
322.98715	4.3
323.07346	100.0
323.11096	34.1
324.10635	61.3
340.12939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49258	1.1
53.03952	1.6
54.77596	1.0
55.01881	1.3
57.03442	1.2
58.67482	1.0
59.05040	1.0
61.02937	3.6
62.33393	0.9
69.03429	10.6
69.68625	1.0
71.04998	1.4
71.41521	1.0
73.02920	2.8
79.05505	0.9
81.03426	3.5
81.07071	1.8
85.02907	17.1
85.06564	1.9
87.04461	2.0
87.69305	0.8
91.03963	1.3
92.76290	1.0
97.02908	7.5
99.08112	1.3
109.02905	2.6
111.04447	1.3
123.05585	1.2
127.03951	3.8
127.07569	5.8
129.61707	0.9
130.35811	1.1
133.84790	1.1
143.01050	1.1
145.04982	2.2
145.08669	1.4
161.02107	42.3
162.02495	1.7
162.05510	17.7
171.78168	1.1
179.03127	1.2
185.04218	63.0
186.04626	1.4
203.05280	20.2
206.31432	1.1
258.99976	1.5
266.96066	1.4
271.08182	1.3
322.99063	2.7
323.07462	100.0
323.11166	21.0
324.07675	3.2
324.10657	34.6
331.90485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
56.04932	0.8
57.03432	2.5
61.02927	9.8
64.20087	0.8
69.03435	3.0
70.56728	1.3
71.01353	2.3
73.02908	4.5
81.03423	2.5
83.01344	2.4
85.02899	2.2
91.05479	2.1
97.02894	21.5
103.03937	13.8
105.07054	1.3
109.02870	2.7
111.04463	1.0
115.05412	0.8
117.07035	1.0
119.08567	2.2
121.06538	1.9
123.04384	0.8
124.92731	0.8
127.03946	2.6
128.06258	1.7
129.07024	3.2
131.08627	0.9
133.06505	2.3
135.08037	1.4
137.05959	1.3
139.03905	14.2
141.06921	1.0
143.08600	1.8
145.06491	4.6
147.08032	11.4
150.06245	0.9
151.03879	2.0
153.01840	2.3
153.05559	1.0
155.03423	1.7
157.06519	1.7
157.30725	0.9
159.08090	5.4
160.05208	3.4
161.05963	18.4
161.09657	3.2
163.03995	0.9
163.07515	6.5
171.08069	6.1
173.06010	3.7
174.06767	29.3
174.08278	1.7
175.07539	65.4
176.07893	1.8
177.05490	3.2
179.03358	1.3
179.06992	5.7
181.06386	1.0
184.05272	1.5
185.04436	1.4
185.06003	5.2
187.07520	15.7
188.08157	1.3
189.05441	1.9
189.09099	16.3
189.10631	1.4
190.06242	1.0
190.09361	1.0
191.07008	10.4
199.07541	18.5
200.08015	1.0
201.05469	8.8
202.06088	1.0
203.07027	100.0
204.07327	4.6
209.08160	1.4
213.09132	4.0
215.07022	54.8
216.07587	4.2
217.08595	60.4
218.08931	1.9
219.06631	2.2
221.08096	2.9
227.07027	14.3
228.07637	1.1
229.03772	2.4
229.08601	6.7
231.06615	1.6
231.10126	1.1
233.08072	50.9
234.08394	1.7
237.07501	1.7
241.08545	5.4
243.06575	2.8
245.08095	97.4
246.08482	6.0
247.04829	2.1
255.05437	2.3
257.05759	0.8
257.07965	4.5
259.09692	10.1
261.07605	2.3
263.09125	34.1
264.09509	2.6
269.08002	8.2
275.09131	3.3
287.09100	38.6
288.09552	2.6
293.10342	0.9
301.05966	4.8
305.06592	5.0
305.10214	18.2
306.10461	1.3
323.07312	3.4
323.11270	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	323.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.07075	0.7
67.05500	2.0
69.03419	0.5
69.07064	1.5
69.36561	1.6
71.04981	0.4
72.08172	0.4
79.05516	0.6
81.07051	4.3
85.06550	0.8
88.07614	0.7
91.05489	0.9
93.07034	1.2
95.04963	1.1
95.08601	1.4
97.06526	0.9
97.10174	0.7
98.97591	1.6
98.98478	0.9
102.09204	0.3
103.63142	0.4
105.07055	0.7
105.95825	0.4
107.08588	1.0
109.10181	0.7
111.08073	0.4
116.98621	0.9
119.08572	0.6
121.10133	0.8
123.11696	1.3
132.10222	0.5
133.10135	1.1
135.11676	0.6
151.11263	0.5
153.12660	0.4
155.01031	1.4
161.09647	0.6
186.18468	0.8
187.13246	0.6
187.18860	0.7
225.14853	3.3
231.21527	0.8
258.99789	1.2
275.23996	0.5
277.00864	1.1
305.24847	0.7
322.25937	1.6
323.14648	100.0
323.26074	7.5
324.14899	5.8
324.17996	0.4
324.21591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.05511	1.0
67.05505	0.9
69.07062	1.4
77.03909	0.8
79.05494	3.0
81.03413	0.5
81.05787	1.2
81.07061	1.5
91.05492	1.6
93.07039	0.9
94.06554	0.6
95.04964	1.1
96.08125	8.6
98.67248	0.4
98.97587	0.9
105.07004	0.5
106.06554	1.4
108.08093	0.6
109.10158	0.5
109.50896	0.4
112.20827	0.5
117.03326	0.8
119.08564	0.5
122.06056	0.9
123.04433	0.5
124.07588	28.4
125.07910	1.1
130.08575	0.6
135.04364	0.7
136.07570	56.7
137.07945	2.2
138.09120	1.3
140.07086	1.3
145.02811	1.4
146.06021	0.7
164.07057	100.0
164.26834	0.4
165.07451	4.0
177.05457	3.1
182.08124	81.1
183.08505	2.9
211.09621	0.5
232.13316	0.5
244.12447	0.5
261.14981	1.1
277.00812	0.6
288.12390	0.6
306.13306	0.7
323.05536	1.3
323.14764	0.9
324.18033	0.7
345.20425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01867	4.0
55.05512	21.4
56.05838	0.8
57.03432	1.3
59.04984	0.8
62.06092	1.6
66.47642	0.6
67.05502	13.1
69.03432	4.7
69.07069	14.5
69.68882	1.1
69.69273	1.6
70.06567	0.8
71.04990	1.4
79.05492	12.9
81.03413	2.7
81.07052	13.0
83.04968	2.2
83.08621	9.1
91.05469	7.8
93.07040	9.5
94.07384	0.8
95.04980	5.2
95.08609	6.7
97.02875	4.1
97.06519	1.5
97.09592	1.2
97.10168	15.0
98.22817	0.9
98.97576	3.3
104.99271	0.8
105.07018	7.4
107.04939	4.1
107.08585	9.2
109.02908	0.6
109.06522	1.0
109.10146	2.4
111.08064	1.9
116.98643	1.9
117.07031	3.5
119.04900	1.2
119.08575	6.0
121.06510	1.9
121.10134	2.8
123.08041	3.5
123.11660	1.3
125.09636	16.8
127.82627	0.7
129.07010	1.4
131.08562	3.8
131.92305	0.6
133.06467	2.6
133.10120	2.3
135.08058	3.5
135.11699	1.2
137.09589	1.9
143.08591	1.4
145.10104	3.2
147.08037	2.7
147.11702	2.3
149.09624	1.1
153.09081	2.6
157.10152	1.6
157.12242	1.5
159.08023	0.7
159.11678	1.6
160.83582	0.6
161.09570	2.1
161.13249	1.1
163.11229	1.0
165.09134	1.7
169.12123	0.8
171.10243	1.4
171.11682	1.1
173.11652	0.7
175.11157	1.8
180.97694	0.8
185.13245	0.7
203.12798	7.4
205.12292	1.0
220.66010	0.8
221.11598	0.9
223.13257	10.9
237.14827	1.9
249.14825	0.9
254.44945	0.8
255.17430	1.6
258.99762	2.2
263.22739	0.7
273.18445	5.8
277.00894	2.8
278.00961	0.8
291.19531	100.0
292.19861	6.2
305.21121	18.9
305.23895	0.5
306.21442	2.2
323.08270	1.4
323.22339	3.3
323.25705	1.0
348.37784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03943	5.2
55.01877	18.3
55.05511	45.3
57.03431	8.5
57.07085	4.4
59.04988	2.5
65.03925	2.3
67.05504	92.8
69.03439	10.3
69.07072	32.9
71.04994	5.8
73.14439	2.0
74.73817	2.3
76.20695	1.9
79.05494	66.1
81.03421	8.1
81.07057	100.0
83.01345	6.0
83.04981	33.1
83.08633	13.1
85.02908	4.3
85.06549	8.0
88.07510	2.1
91.05480	63.5
92.05830	2.7
93.06454	3.9
93.07047	75.0
94.07393	3.6
95.04975	21.4
95.08605	51.8
97.02876	2.2
97.06533	13.3
97.10184	8.9
98.97584	9.3
99.08101	3.4
105.04504	4.0
105.07029	55.5
106.07411	2.5
107.04969	13.7
107.08595	57.8
109.06525	16.4
109.10155	60.6
110.10482	3.9
111.04459	9.2
111.08099	15.3
116.98579	5.4
117.07027	11.3
119.08601	28.3
119.24277	2.2
121.06508	22.5
121.10151	23.1
123.04411	4.6
123.08070	8.3
123.11712	13.1
125.05987	5.2
125.09631	4.9
128.06210	3.0
129.07005	8.1
131.04927	2.1
131.08565	27.7
133.06471	21.4
133.10127	98.5
134.10484	5.2
135.08090	11.9
135.11716	11.2
137.05991	4.9
137.09651	5.9
139.07538	12.9
141.06940	2.2
142.07822	2.5
143.08554	10.8
145.10126	15.7
147.08040	14.9
147.11676	11.3
149.09607	16.9
149.13293	4.1
151.11188	91.1
151.12433	4.3
152.11526	2.9
155.08598	2.2
157.10155	6.8
159.08040	5.5
159.11667	8.6
161.09595	17.6
161.13254	9.2
163.11156	6.8
165.09126	4.6
167.10690	2.8
171.11726	9.3
173.13234	3.2
175.11220	9.7
177.09114	15.7
177.12840	2.2
179.10689	12.0
179.14191	2.8
181.08633	4.3
181.10117	3.0
181.12263	4.2
183.13797	28.6
185.13304	4.3
189.12759	6.1
199.11227	2.9
203.14253	4.8
207.13811	2.9
211.13286	4.5
217.12265	2.4
223.13292	4.7
227.17984	4.4
229.14279	4.1
235.13309	3.7
245.19034	19.7
255.17407	5.5
257.50467	2.4
258.99954	3.7
263.20102	17.5
273.18466	48.9
277.00827	5.0
291.19543	96.1
292.19913	5.1
305.21075	20.1
323.08344	4.9
323.22113	42.2
324.22501	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	16.1
55.05505	9.9
57.07068	3.2
59.04995	3.1
67.05501	60.6
69.03424	5.0
69.07059	17.4
69.75241	2.5
70.72245	2.3
71.04982	9.2
75.33299	3.3
76.05704	2.3
79.05492	18.2
81.07052	48.1
83.04987	14.0
83.08603	4.9
85.06540	9.4
90.27247	2.2
91.05481	41.2
93.07038	22.4
95.04977	7.3
95.08593	11.1
97.06514	2.9
98.97581	28.2
99.04452	3.2
105.07032	44.6
107.04959	6.7
107.08589	48.7
109.06537	7.1
109.10149	98.2
109.10896	4.9
113.05978	6.0
116.98611	20.0
117.07005	3.0
119.08588	8.7
121.06512	7.8
121.10118	3.9
123.11701	11.6
127.07558	5.1
131.08559	6.8
133.10126	100.0
134.10432	4.5
134.99652	6.6
135.08075	12.2
138.98840	3.0
145.10051	2.8
151.11183	70.6
151.53473	2.8
161.09631	4.7
164.92039	3.8
169.12257	22.1
179.10718	4.2
198.98853	3.2
215.12755	3.7
258.99741	18.6
273.18454	19.6
277.00912	21.0
282.96759	2.9
291.19540	31.7
323.18381	3.6
323.21936	3.3
323.25598	4.6
324.28625	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	323.2219
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03944	1.4
55.01867	3.8
55.05518	4.4
57.03440	25.0
57.07063	1.6
65.03937	0.8
67.05508	25.3
69.03448	1.0
69.07064	3.5
70.06599	1.2
71.04978	2.5
79.05490	10.6
79.83801	0.9
81.03445	1.0
81.07060	11.9
83.08627	1.6
85.06547	31.1
85.07057	1.8
91.05481	8.5
93.07052	8.0
95.04974	42.1
95.08617	7.1
97.06531	1.4
98.22670	1.7
98.97597	7.0
99.08096	0.9
105.07021	6.2
106.03540	0.8
107.04951	2.6
107.08605	7.9
109.06525	26.6
109.10141	2.2
111.04469	1.5
111.08093	1.3
113.06010	100.0
114.06354	1.9
116.98611	3.0
117.07016	4.8
119.08566	3.5
121.06515	2.6
121.10149	3.2
121.29464	0.7
123.08079	1.7
128.06154	0.8
129.06976	2.5
131.08588	6.2
133.10136	2.3
134.99651	1.6
135.02686	0.8
135.08051	21.6
135.11685	2.7
136.08424	1.1
143.08565	2.6
145.10136	4.5
147.08043	3.2
147.11671	1.4
149.09610	3.4
149.13251	1.1
157.10146	3.6
159.08038	1.4
159.11673	2.6
161.09636	3.5
163.11205	1.7
165.12729	2.2
171.11662	1.7
173.13327	1.8
175.11116	2.0
177.12773	2.0
183.11703	1.6
195.13799	1.0
196.33876	0.9
199.14919	0.9
201.12894	1.0
212.75888	0.8
217.15884	7.7
219.13812	1.0
245.18842	0.9
255.17433	1.3
258.99863	4.9
273.18512	16.3
274.18896	1.1
277.00821	5.7
286.09460	0.9
287.20383	0.8
291.19559	37.4
292.19861	1.6
300.02454	1.0
305.21173	5.4
323.08362	1.5
323.22211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03939	3.6
55.01868	14.5
55.05510	37.4
57.03428	8.9
57.07062	5.0
59.04996	3.4
65.03939	2.0
66.73207	1.9
67.05504	82.0
67.05867	4.1
69.03428	10.9
69.07065	19.4
70.06601	2.0
71.04974	6.7
71.57053	1.7
76.46001	2.1
79.05492	53.6
81.03406	5.3
81.07056	100.0
83.01335	3.0
83.04983	25.6
83.08607	14.3
85.06551	11.2
85.52800	2.4
91.05476	60.8
93.07042	60.5
94.07338	2.5
95.04964	17.5
95.08603	35.1
97.02875	3.0
97.06534	9.3
97.10136	5.0
98.97547	10.4
99.08109	2.2
105.06351	3.7
105.07025	58.3
107.04948	16.9
107.08591	59.7
109.06522	15.6
109.10155	60.5
111.04433	6.6
111.08068	8.4
116.98608	4.5
117.07018	14.6
119.08575	23.0
121.06504	15.9
121.10148	19.0
123.04432	5.1
123.08054	8.9
123.11678	16.5
125.06012	4.0
125.09647	4.7
126.87086	2.2
128.06221	3.4
129.06973	6.9
131.08559	19.2
133.06500	16.0
133.10124	98.6
134.10492	4.5
135.08025	8.1
135.11685	12.2
137.05948	4.3
137.09529	4.1
139.07553	7.9
143.08563	7.2
145.06490	2.1
145.10124	15.1
147.08022	9.9
147.11656	8.6
148.97295	2.7
149.09621	18.6
149.13167	3.8
151.11176	95.3
152.11473	2.7
155.08569	2.7
157.10083	5.4
159.08058	4.6
159.11676	5.8
161.09613	13.2
161.13272	6.0
163.11179	5.3
165.09103	2.6
171.11667	7.6
173.13260	2.4
175.11177	4.8
177.09117	17.4
177.12779	3.1
179.10678	12.4
181.08502	2.7
181.12141	3.4
183.13812	31.8
185.13220	3.2
187.11214	2.8
189.12692	4.4
193.12292	2.1
199.11172	2.1
203.14317	3.8
207.13879	2.3
211.13200	2.4
213.12726	3.0
217.12282	4.0
227.17841	5.8
229.14365	6.1
237.16368	3.0
245.18988	17.0
255.17435	6.4
258.99774	6.7
259.04709	2.1
263.20053	18.5
273.18475	39.3
277.00827	6.1
277.21515	4.0
291.19534	61.3
291.57266	2.2
305.21094	27.0
306.26785	2.1
323.08423	5.5
323.22113	38.5
324.22507	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	324.1054
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
50.12417	0.5
53.58591	0.6
56.64206	0.5
67.05503	3.3
69.28087	1.1
69.28499	1.9
75.85409	0.5
80.80383	0.6
81.07025	1.2
85.02897	3.3
85.92607	0.6
97.02892	0.9
98.22717	1.3
99.08074	0.7
106.30624	0.6
109.10163	10.2
111.20403	0.5
117.03412	1.4
127.11198	3.4
130.05081	0.8
137.02490	0.5
145.02844	2.5
145.04872	0.9
152.14401	0.8
177.05482	4.3
195.11261	0.8
271.08014	0.9
324.10526	100.0
325.10464	3.0
325.21118	1.3
325.24649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1058
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
54.70414	0.5
55.01887	0.8
56.96541	0.7
61.02921	1.0
64.95838	0.7
66.95110	0.5
67.05491	0.9
67.17773	0.6
69.03422	2.5
70.03763	0.7
71.05003	0.8
71.14010	0.5
71.22676	0.5
78.82092	0.5
79.05513	0.8
81.07058	5.2
83.01360	0.5
83.04983	2.0
85.02908	5.4
85.06552	10.2
91.52908	0.5
93.07030	0.7
95.04995	1.3
97.02879	1.7
98.97603	0.6
99.08120	1.5
109.02883	0.7
109.06519	2.2
109.10138	0.6
111.04430	2.3
116.98640	1.0
119.08595	0.5
120.08092	0.9
122.12779	0.6
127.03922	1.7
127.07565	15.2
127.11187	0.9
129.05531	0.8
131.08168	0.6
137.02333	1.3
145.04970	1.1
145.08606	5.7
149.05966	1.2
156.53127	0.6
161.02129	2.2
162.02458	2.3
162.05513	33.9
163.03926	0.7
163.05856	1.1
166.08617	0.7
175.03893	0.6
177.05493	1.6
185.04233	5.1
186.04536	3.3
193.04951	1.3
196.17004	0.8
203.05246	1.3
204.05750	1.2
207.06564	2.1
225.07695	0.7
253.07150	1.2
271.08121	5.8
277.01007	0.7
301.06232	0.9
307.13086	0.7
324.07837	6.3
324.10632	100.0
325.02554	0.9
325.07550	1.3
325.10995	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	324.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	11.5
70.98097	1.5
71.32645	2.3
71.95248	1.9
77.21809	1.5
81.07047	2.3
94.66840	1.6
95.08605	2.2
97.96815	5.2
98.97572	6.5
110.97565	5.1
111.11813	1.9
115.97852	2.6
116.98631	5.5
128.98602	6.4
131.43823	1.7
143.00233	3.5
146.99603	4.4
154.45357	1.6
166.15895	1.9
167.00238	3.1
171.03302	2.8
181.01805	2.1
181.42732	1.7
185.01228	3.9
185.04840	4.0
189.04425	3.0
195.06866	2.3
198.05644	3.8
199.02774	5.5
203.05923	2.4
204.06699	2.9
213.04422	4.1
213.08034	12.5
216.06691	2.8
217.03822	3.0
217.07393	3.2
225.07965	2.7
231.09023	8.3
232.09721	1.9
239.09529	8.1
242.08269	5.5
243.08884	2.9
251.09445	11.0
257.10614	61.7
258.10931	4.1
269.10599	80.6
269.68930	2.0
270.10904	3.2
275.11646	30.9
280.12140	5.7
283.12125	38.1
287.11658	41.2
292.12119	6.8
301.13217	100.0
302.13553	4.4
319.14197	3.5
324.14743	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	324.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65559	1.2
55.05508	2.8
57.03436	3.3
61.02924	2.6
67.05500	2.4
69.03424	6.7
69.07061	3.1
69.54620	4.9
71.04980	2.9
71.08619	3.4
73.02904	1.6
79.05487	3.9
80.06449	1.1
81.03416	2.1
81.07053	36.4
85.02905	29.0
85.06537	22.1
87.04469	1.8
91.03945	1.9
97.02896	7.2
97.06518	3.6
98.97591	2.4
99.08096	12.1
103.03928	1.2
104.50168	1.1
109.02875	2.1
109.06515	31.8
111.04379	1.4
115.07571	10.7
116.98636	1.7
117.09119	4.2
120.10181	1.1
123.32276	1.0
127.03911	4.8
127.07555	89.1
128.07893	1.8
129.16940	1.3
129.30540	1.2
130.34244	1.2
131.48083	1.3
145.04951	7.3
145.08594	100.0
146.08896	1.7
157.10068	1.2
163.03857	1.3
163.06087	1.9
177.05473	1.6
214.33510	1.1
253.10674	1.4
265.12186	1.7
271.08243	1.3
283.13324	8.2
285.30942	1.1
301.14279	8.9
324.10516	15.1
325.14465	8.2
343.15387	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	324.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75578	0.4
56.96564	0.7
57.03447	0.9
57.07066	0.7
58.95304	0.5
61.02933	0.7
67.05503	2.5
69.03429	2.3
69.07063	1.3
69.64351	1.0
69.64729	1.4
73.15405	0.4
79.05497	2.5
81.03407	0.7
81.07056	12.9
81.07508	1.0
81.88974	0.4
85.02908	6.5
85.06544	100.0
86.06878	1.5
87.11347	0.5
92.44343	0.4
93.53593	0.4
97.02888	1.5
97.06517	0.5
99.08098	1.6
105.07012	0.6
109.06528	6.0
115.07585	1.5
115.50014	0.5
124.63059	0.5
127.03932	1.3
127.07552	28.0
143.27875	0.4
145.04956	1.1
145.08597	29.0
146.08957	0.6
162.05495	5.8
162.11340	0.5
199.02907	0.4
225.11429	0.5
237.04320	1.3
238.04832	0.5
243.12254	0.7
255.05251	2.6
257.07242	0.5
283.04907	2.0
301.05972	4.7
319.06924	1.3
324.07278	0.9
324.10608	9.2
324.14209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80227	0.5
57.03418	0.8
62.76260	0.4
65.52637	0.5
67.05505	2.9
67.90080	0.4
69.03427	1.3
69.07071	0.7
70.14959	1.1
79.05505	2.5
79.97264	0.5
80.89684	0.4
81.03404	0.8
81.07056	15.6
83.16276	0.5
85.02907	5.9
85.06541	100.0
86.06895	1.5
97.02884	1.8
99.08092	1.2
109.06518	5.1
115.07589	1.9
127.03874	0.9
127.07551	26.0
145.04977	0.9
145.08595	27.5
146.08902	0.5
159.57675	0.5
162.05527	1.6
173.11462	0.5
211.80046	0.5
237.04605	0.5
265.96747	0.5
301.06000	1.8
324.10840	2.5
333.85742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1959
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03955	0.4
55.01889	0.3
55.05500	0.8
67.05503	0.6
69.71080	0.9
77.03917	0.6
79.05493	15.9
80.05827	0.4
81.07061	0.5
83.08640	0.3
84.05655	0.3
86.48389	0.2
91.05468	0.7
91.62302	0.2
93.07047	1.9
95.04991	1.4
95.08638	0.4
97.10153	0.4
98.23385	0.5
98.97564	0.6
103.05467	33.0
104.05779	1.3
105.04513	0.6
105.07021	2.9
107.04953	18.4
107.08593	0.5
108.05286	0.3
109.06583	0.2
109.25639	0.2
111.63687	0.2
116.98656	0.3
118.06544	4.9
118.07312	0.4
119.08577	0.4
121.06507	1.6
123.08088	0.3
128.98621	0.3
131.04926	11.8
132.05215	0.4
132.08089	1.4
133.08865	0.9
133.10052	0.2
134.09636	0.5
145.10118	0.2
146.09657	1.8
147.10445	0.3
149.06007	0.9
159.08099	0.3
160.11223	0.7
176.14345	44.3
177.14694	2.1
189.15047	0.4
190.08408	0.3
193.12166	0.4
213.08083	0.4
218.11687	0.3
231.09244	0.3
233.14200	0.5
251.09618	0.4
257.10568	1.5
263.16440	0.8
269.10504	2.1
271.16843	0.3
275.11630	0.7
280.13342	0.5
283.12216	1.1
287.11630	0.8
292.12079	0.3
294.14865	0.3
301.13208	2.7
307.18979	0.3
307.79254	0.3
324.19562	100.0
325.13998	0.4
325.16260	0.3
325.19876	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	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.10784	5.0
54.41692	4.4
65.25520	4.1
65.41586	4.4
65.68174	3.6
69.07063	8.8
69.26122	9.3
69.26520	16.9
71.72117	4.8
79.05496	9.0
81.07035	6.6
84.19813	4.4
86.09703	100.0
91.05466	7.0
93.07022	9.6
98.97572	22.6
100.77061	4.1
105.07022	14.8
116.98634	11.9
119.08625	4.8
128.10716	5.8
132.10210	28.7
133.10129	21.9
134.99635	9.1
147.11693	10.5
151.11171	43.6
158.85086	4.6
193.12128	6.5
259.99948	11.3
260.20084	8.3
278.01056	12.2
278.18658	4.9
278.21109	30.9
282.72314	4.3
306.20627	9.2
324.21661	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	325.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41147	0.5
53.74944	0.4
62.69816	0.5
69.10133	1.1
69.10538	1.4
81.60030	0.4
85.02907	0.4
85.03831	0.4
88.72630	0.4
96.25569	0.4
122.08035	0.4
127.25744	0.4
162.02901	1.1
185.04268	1.3
247.17459	0.5
291.79050	0.6
325.08929	100.0
326.09219	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	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01853	1.5
57.03432	6.2
58.49992	1.0
59.20736	1.0
61.02929	7.8
64.37755	1.0
67.05511	1.4
68.05008	1.0
69.03433	17.4
69.76280	1.8
69.76604	1.5
71.05004	2.5
71.55323	0.9
73.02902	3.8
79.05518	1.5
81.03429	6.6
81.07056	2.4
82.06564	1.3
84.04506	7.6
84.08131	2.1
85.02907	100.0
86.03300	1.1
86.06054	2.6
87.04455	1.9
91.03951	4.6
93.07014	3.8
97.02894	17.5
98.22745	2.0
99.04456	4.0
102.05531	4.1
105.16577	1.0
107.08572	2.4
108.08124	28.5
109.02872	9.1
109.10211	1.4
110.09666	3.9
122.09737	1.6
127.03926	18.8
130.05003	48.7
135.11690	4.2
139.03905	3.0
145.04970	24.8
147.09163	2.4
149.69414	1.1
150.12781	7.0
151.13620	2.3
152.14345	59.3
154.15887	2.0
163.06018	7.2
178.15881	1.4
191.08188	3.0
193.08374	2.2
196.16969	13.9
264.15976	9.8
281.18588	65.5
282.18927	3.1
308.18591	2.1
325.12753	19.5
325.21225	51.5
325.24615	2.6
326.12817	1.2
326.21500	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01615	1.0
55.01868	13.4
56.32203	0.6
57.03434	10.2
61.02917	5.6
61.89001	0.7
64.88979	0.6
69.03427	44.3
70.03716	0.8
70.29981	0.6
70.37148	1.0
70.37468	1.0
71.01340	1.1
71.04993	2.4
73.02916	6.2
81.03418	4.7
83.01328	1.3
85.02901	100.0
86.03236	1.2
87.04477	1.5
91.03960	1.0
97.02891	33.7
98.23505	1.0
99.04461	7.6
101.02377	8.0
107.68813	0.6
109.02882	6.1
115.03928	3.8
127.03909	75.7
128.04308	1.3
133.04988	1.0
141.45518	0.6
145.04948	45.9
146.05276	1.1
163.05974	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
54.67529	1.2
55.01860	2.5
57.03423	4.8
59.54714	1.7
61.02924	9.3
63.83537	1.3
67.99655	1.6
69.03431	16.3
71.04967	1.9
73.02901	3.9
81.03412	6.8
85.02903	100.0
87.04479	1.8
91.03941	4.1
97.02901	16.0
99.04459	2.6
105.07034	1.4
109.02866	6.5
127.03905	22.5
128.96231	1.4
142.38820	1.2
145.04965	25.8
147.09186	8.6
147.92955	1.2
155.03439	2.1
163.06055	5.9
179.06941	2.6
181.05009	1.9
191.08159	6.9
206.12242	1.2
243.00233	1.2
277.24503	1.2
281.14954	3.7
289.14270	1.6
307.11954	1.4
325.12881	41.2
326.13013	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1387
Annotation	Ile-Abu-OH
Peak:m/z	Relative Intensity
50.58765	0.4
55.05515	0.5
57.07068	0.5
69.07074	0.7
69.58649	0.9
69.59041	0.7
81.07059	0.8
83.08613	0.4
95.08588	0.8
98.23480	0.7
98.97579	0.7
169.04976	0.9
173.98535	0.5
196.98180	3.3
272.12863	0.5
279.84650	0.4
281.17535	0.8
310.11429	0.8
325.13846	100.0
325.27173	1.1
326.14212	6.6
343.15030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03954	1.6
55.01883	1.6
57.03233	0.3
57.03440	3.0
59.04995	0.4
61.02922	0.9
69.03432	15.7
69.97676	0.8
71.01349	0.8
71.04993	5.2
73.02937	0.7
75.04450	0.5
80.22025	0.3
81.03420	17.1
81.07075	0.4
82.03710	0.4
85.02926	0.7
88.02283	0.3
91.05437	0.7
93.07030	0.4
99.04454	6.6
107.08562	0.3
108.08116	1.9
116.04977	0.4
117.05501	2.1
118.06547	4.6
120.08031	0.3
122.09647	1.0
135.11710	0.5
145.07617	6.6
146.07904	0.3
147.09172	7.5
150.12750	1.8
151.13564	0.7
152.14351	0.8
162.07904	1.3
163.08623	0.8
173.07111	11.9
174.07309	0.5
175.08653	6.2
176.08957	0.4
191.08153	100.0
192.08499	3.1
203.08220	0.5
205.09724	0.5
213.10254	0.5
215.11780	0.5
233.09210	1.2
238.92673	0.3
275.02899	0.4
282.13879	0.6
282.17010	11.9
289.11890	2.3
307.12872	36.7
308.13187	2.7
325.13928	32.4
326.14310	2.0
326.19589	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	2.3
55.01804	2.0
57.03373	2.4
59.99710	0.4
61.02878	0.9
61.53283	0.5
65.07998	0.4
68.23640	0.4
69.03362	14.5
69.03760	1.0
70.03719	0.5
71.01321	0.9
71.04919	4.5
73.02873	0.9
75.04426	0.5
81.03419	17.3
81.03860	0.9
81.83366	0.4
85.02901	3.2
89.20171	0.4
91.05431	1.0
97.02843	0.5
99.04459	6.8
116.04918	0.7
117.05437	1.4
118.06541	4.6
120.02458	0.5
127.03866	0.7
145.04927	0.9
145.07607	7.0
146.07922	0.7
147.05489	0.5
147.09161	7.4
162.07802	1.5
163.07346	0.6
163.08623	1.0
173.07109	11.8
175.07277	0.7
175.08669	6.5
179.07002	0.8
191.08147	100.0
192.08495	3.3
203.08173	0.9
205.09686	0.5
213.10281	0.6
215.11681	0.4
221.74146	0.5
231.11345	0.5
233.09288	1.1
288.28452	0.4
289.11813	2.0
307.12878	37.1
308.13129	2.2
312.70480	0.4
325.13943	33.4
326.14136	2.2
335.29636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	33.4
55.05518	87.5
56.91064	12.6
57.03437	30.3
67.05505	61.0
69.07073	32.5
71.04969	15.6
79.05493	92.3
81.07072	73.9
83.04980	35.0
83.08616	45.5
85.02919	14.6
88.17725	12.2
91.05486	46.0
93.07034	63.5
95.04972	36.6
95.08623	53.8
97.06505	29.6
97.10170	69.7
105.07032	48.1
107.04996	18.1
107.08572	65.4
109.06518	20.6
109.10155	69.6
111.04442	18.4
117.07056	18.0
119.08572	54.7
121.06512	24.1
121.10117	21.4
123.08084	46.7
125.09639	42.2
127.44279	13.7
131.08545	15.5
135.08052	29.2
135.11646	24.7
137.09616	20.7
142.35272	14.5
145.10155	44.1
147.08034	14.8
151.07613	21.7
153.09087	14.1
163.11201	51.2
173.09697	26.3
181.12204	22.0
189.11211	20.7
191.10672	20.6
209.11710	28.1
227.12781	41.2
235.16898	16.0
239.16383	27.0
261.18521	19.6
263.16516	100.0
269.10815	25.3
271.16885	21.9
281.17380	21.6
289.17950	56.4
307.19049	53.1
325.13940	73.7
325.21658	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	325.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05514	1.5
57.03187	0.5
57.03440	6.9
57.07047	0.5
59.04995	2.1
61.02928	1.1
69.03422	2.0
69.07051	0.8
70.86324	0.8
71.04987	4.7
71.08637	7.8
79.05495	4.7
81.03413	0.8
81.07062	21.8
83.04972	1.0
83.08639	0.9
85.02415	0.8
85.02908	8.0
85.06538	3.2
89.06017	0.9
93.07047	0.8
97.02895	1.8
99.04448	0.7
99.08098	22.5
109.02882	0.7
109.05779	1.1
109.06525	23.8
110.06895	0.8
110.23187	0.4
117.09134	100.0
118.09475	1.8
127.03897	1.3
127.07560	47.6
128.07892	1.4
129.09119	2.2
145.05031	0.8
145.08598	1.2
147.10133	0.6
151.11143	0.6
163.09653	9.4
164.77068	0.5
325.08896	1.7
325.12686	3.3
326.12286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.09462	0.7
59.05000	0.9
60.51865	0.6
67.05515	0.9
69.03423	2.8
69.07063	1.9
71.05003	0.9
79.05494	0.9
79.19608	0.7
81.03419	1.4
81.07047	2.7
82.06586	0.7
83.04986	0.9
85.02921	1.7
87.76612	0.7
91.05485	0.8
93.07048	1.9
95.08606	1.7
100.11245	1.0
101.70764	0.7
105.07024	0.8
107.08598	2.0
109.10189	1.6
110.06046	1.6
116.07063	1.0
119.08547	0.9
121.10166	1.3
124.33946	0.7
135.11656	1.6
137.05949	0.8
139.07544	1.2
163.07497	1.3
179.14304	0.9
180.13914	0.8
230.74417	0.7
325.16202	100.0
326.16351	5.7
326.19696	1.8
326.22971	0.8
326.28195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
59.04991	1.5
64.97969	0.5
67.05495	2.3
69.03445	0.8
69.07067	9.8
71.04982	1.2
79.05491	4.2
81.03416	0.7
81.07056	4.4
84.04495	2.2
85.02877	0.9
85.06540	1.0
91.05485	1.9
93.07021	2.4
95.04960	0.9
95.08598	4.6
97.06548	1.2
99.08122	0.6
102.05563	0.8
105.07024	1.8
107.08590	5.9
109.06488	0.7
109.10159	2.6
111.08023	0.6
111.11726	2.7
116.56711	0.5
117.09100	0.8
119.08555	1.4
121.10159	1.5
123.11707	0.7
130.05009	0.9
133.02856	1.5
135.11708	3.4
137.05919	1.0
137.13237	0.8
139.11179	1.9
148.06100	1.4
149.13251	4.5
151.14812	1.7
153.12730	2.0
161.13307	1.6
179.14279	1.5
181.61781	0.5
201.05501	1.5
233.05884	0.8
280.19070	1.4
289.18033	0.6
313.93466	0.6
325.16202	100.0
326.16522	5.8
326.19754	1.4
326.26886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.03412	0.5
59.04991	0.9
67.05505	1.7
69.03428	1.0
69.07061	1.7
70.06579	0.9
70.10748	0.6
70.11088	0.8
71.04990	1.8
72.05308	0.4
72.87592	0.4
76.17290	0.3
79.05489	1.4
81.03416	0.7
81.07055	3.0
83.08624	0.6
83.99786	0.4
84.04487	0.6
85.02898	0.6
91.05495	1.2
93.07057	2.0
95.04965	0.6
95.08597	2.4
97.06561	0.5
97.95533	0.4
102.05525	0.6
105.07046	1.4
107.08595	3.1
107.96949	0.4
109.06532	0.8
109.10145	0.9
111.08037	0.6
111.11705	0.5
113.09641	1.1
114.09992	0.8
116.07095	1.4
119.08592	0.9
121.10142	0.9
130.05013	0.5
133.10139	0.5
135.04330	0.4
135.08081	0.7
135.11665	1.9
135.76949	0.4
137.05934	0.7
137.13242	0.6
145.10153	0.8
148.06087	0.5
149.13286	0.9
151.14786	0.6
161.13271	1.2
163.07460	0.6
167.14241	0.5
173.09546	0.5
179.14343	0.9
187.11188	0.8
228.12350	0.6
236.57799	0.4
307.15262	1.3
325.16211	100.0
326.16635	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	325.2009
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.03943	4.6
55.01871	37.4
55.05510	33.3
57.01263	2.6
57.03439	29.1
57.07085	3.4
59.04981	3.5
63.55045	2.3
65.03928	3.2
67.05164	3.9
67.05505	72.0
69.03435	4.0
69.07066	23.5
69.74409	5.4
69.74815	8.8
70.16182	2.5
71.01338	2.5
71.04991	4.1
79.05492	68.2
81.03424	12.5
81.07055	77.6
83.04977	39.6
83.08622	7.6
85.06577	5.6
91.05479	73.1
91.06062	4.1
92.05791	2.9
93.07045	51.7
95.04971	74.0
95.08605	43.1
97.02900	8.5
97.06551	12.5
97.10168	8.8
98.07307	10.5
98.97596	4.1
103.05481	5.0
105.04483	4.6
105.07033	53.1
106.07370	2.9
107.04955	95.8
107.08591	24.7
107.91383	2.4
108.05763	6.1
109.06522	43.2
109.10152	20.4
109.85296	2.6
110.07286	3.1
111.04395	11.9
111.08086	6.0
112.05241	14.9
113.06025	6.7
115.05441	5.5
117.07022	37.2
119.04930	6.2
119.08589	38.7
120.05706	2.8
121.06500	21.9
121.10133	13.7
122.07302	31.8
123.04437	11.2
123.08078	9.4
125.05985	6.0
125.09663	3.2
128.06233	6.8
129.07007	16.3
131.08571	31.1
133.06499	29.7
133.10149	14.6
135.08026	21.2
135.11705	9.6
136.08755	3.5
137.09613	16.9
141.07001	8.0
143.08562	11.4
145.06485	20.6
145.10127	19.5
147.08038	39.3
147.11690	6.4
148.08670	3.1
149.09590	4.5
151.07494	6.5
151.11154	3.8
151.92699	3.3
155.08580	7.2
157.10173	6.1
159.08067	5.9
159.11697	10.3
159.99603	2.7
161.09639	25.5
161.13266	6.6
161.37663	2.4
162.10361	4.7
163.11151	12.9
165.09119	8.2
169.10138	4.6
171.11682	11.0
173.13272	11.5
175.11165	7.1
187.11139	4.4
187.14862	12.4
189.12743	7.0
197.13341	6.1
203.14360	4.1
205.15880	11.3
215.14314	15.8
216.15018	2.9
217.15970	2.6
233.15356	100.0
234.15875	7.1
251.16428	25.9
262.19241	3.9
273.18542	7.1
290.18671	23.6
291.19476	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	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01862	0.8
55.05518	0.8
56.05012	0.6
56.41529	0.6
57.03428	2.0
60.42590	0.5
67.05521	0.9
68.05013	1.2
69.03431	7.0
69.07065	2.1
70.06578	1.0
71.04980	3.2
75.62970	0.7
79.05482	2.0
80.05019	1.7
81.03419	7.4
81.07056	1.3
82.06573	1.0
83.08626	0.8
84.04504	9.9
84.08130	0.8
85.02902	17.3
86.06063	6.6
87.04470	1.2
91.05472	1.4
93.07037	4.8
94.06572	0.6
95.01324	1.7
95.43810	0.6
96.04497	1.1
96.08126	1.0
98.06063	1.9
98.09686	0.6
98.88971	0.6
99.04452	3.2
102.05539	7.9
107.08578	2.5
108.08117	39.8
109.02831	0.8
109.08472	0.9
109.10142	0.7
110.09663	3.9
112.03918	1.0
113.65706	0.6
114.05507	1.1
117.05499	0.8
118.06522	1.6
119.08622	1.0
122.09663	3.6
123.10455	1.1
124.11210	1.4
129.02458	0.6
130.05000	73.6
130.44139	0.6
131.05345	1.5
134.09648	1.4
135.11700	4.2
136.11151	1.3
138.09125	0.8
142.05048	0.9
145.04927	0.6
145.07594	2.6
147.06606	0.6
147.09183	3.8
150.11710	1.0
150.12801	12.0
151.13519	2.3
152.14342	90.8
153.14713	2.9
154.15927	3.3
173.07143	3.6
175.08687	2.7
178.15921	2.3
186.47528	0.6
190.15947	0.9
191.08147	44.5
192.08478	2.7
192.13776	0.7
193.38693	0.6
196.16968	31.0
197.17337	1.9
235.17999	3.3
236.16533	0.8
246.14914	0.7
261.19632	1.2
264.15936	13.4
264.18567	1.1
265.16190	0.9
266.17578	0.7
270.51926	0.6
281.18588	63.1
282.16486	1.6
282.19437	3.0
283.20035	1.3
289.11908	0.9
307.12863	15.0
307.20236	1.3
308.13300	1.2
308.18613	3.9
325.09122	1.4
325.13831	15.2
325.21194	100.0
326.15845	1.1
326.22061	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.1
57.07072	5.1
67.05497	5.1
69.07073	9.3
69.99694	1.5
70.00017	2.9
70.06603	1.4
72.08156	100.0
79.05483	3.5
81.07056	9.6
83.08615	11.9
88.07590	1.3
89.10791	2.4
91.63794	1.2
93.07050	4.8
95.08593	7.9
97.06531	2.3
97.10175	3.5
98.06053	2.0
98.23337	1.3
98.97571	3.8
99.08063	1.5
107.08602	2.2
109.10165	2.8
110.36169	1.2
111.08081	1.6
116.98618	3.4
119.08579	1.3
121.10143	5.2
123.11662	1.8
135.11697	2.8
135.19818	1.1
137.13304	1.8
139.11234	1.9
149.02351	2.5
149.99826	1.3
157.79642	1.2
164.36409	1.3
193.04947	4.4
234.80884	1.5
308.29459	59.6
309.29883	5.0
325.26453	11.3
325.32135	85.0
325.76279	4.2
326.32440	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	326.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01870	1.7
57.03431	1.1
61.02920	1.2
68.99799	0.6
69.03435	10.5
69.68950	0.7
69.69334	0.7
70.06592	0.8
71.04997	1.0
73.02924	1.5
81.03426	5.2
85.02910	26.7
86.03226	0.4
87.00834	12.1
97.02902	7.9
98.22775	0.7
98.98473	100.0
99.04458	3.5
104.09414	0.4
105.01874	23.7
108.01615	0.3
109.02892	6.7
116.99523	2.1
117.01884	0.6
127.03927	17.5
128.04236	0.5
129.01859	0.6
129.05363	0.3
145.04974	9.3
147.02913	0.4
159.02879	2.7
165.05270	0.5
174.99236	14.5
185.06667	0.5
186.52708	0.3
189.03989	1.0
189.78864	0.3
211.04663	0.4
211.14462	0.4
213.03995	0.7
221.06598	1.1
223.08099	0.6
231.04991	5.6
231.07042	0.6
231.10750	0.5
239.07690	2.6
249.06055	4.3
251.00070	2.3
257.08627	0.9
265.16580	0.4
267.07220	2.4
285.08182	3.6
303.06219	0.6
326.16666	0.6
327.10693	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	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01875	0.8
55.05510	28.6
57.03437	1.5
57.76188	0.5
59.04998	1.0
60.48740	0.5
61.02924	1.5
67.49049	0.5
69.03435	4.1
69.07060	1.6
70.03770	0.7
70.68949	0.9
71.05001	1.9
73.06563	3.3
81.03432	2.7
82.03740	1.2
83.08618	76.8
84.08948	1.8
85.02889	5.3
97.02892	0.6
98.98463	100.0
99.04456	1.1
99.22101	0.7
111.08067	8.6
112.08414	0.9
113.89772	0.6
116.99485	1.7
119.06874	0.9
129.09109	57.2
130.09436	2.2
137.05945	0.7
145.04939	0.7
147.09218	0.7
147.10158	6.6
148.09439	0.8
148.10512	0.6
165.05440	2.4
173.07053	0.6
174.07402	2.2
174.99213	13.8
191.08136	8.4
192.08487	14.1
193.08568	0.9
250.99988	2.7
263.06863	0.8
266.55594	0.7
273.68735	0.6
295.09686	1.1
308.13187	5.7
326.14182	7.0
327.10382	1.2
327.14127	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	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05511	12.0
56.14788	0.4
57.03439	0.5
57.79200	0.3
61.02924	0.8
63.70338	0.3
65.53103	0.3
67.05510	0.7
69.03426	1.4
69.07075	3.0
69.40488	1.9
70.06580	1.2
71.04985	0.9
73.02905	1.0
73.06557	1.2
73.57100	0.3
77.01585	0.5
81.03412	0.8
81.07056	1.5
83.08620	36.4
84.08114	0.5
84.08941	0.7
85.02904	5.9
85.40288	0.4
86.09694	0.7
87.04446	0.5
87.08115	0.4
91.03970	0.5
93.07042	0.8
95.04979	0.5
96.29242	0.3
97.02901	1.3
97.06578	0.3
98.98466	100.0
99.08113	0.8
101.02387	1.2
101.09653	2.4
102.17894	0.4
109.02892	0.5
109.71043	0.4
111.04445	0.7
111.08076	6.9
116.99515	1.7
127.03908	1.1
127.57982	0.5
129.01831	0.8
129.09116	55.3
130.09454	1.2
131.03410	0.5
145.04953	0.7
147.02907	0.9
147.10158	14.2
174.99225	13.6
182.11789	0.6
191.05522	0.7
193.03355	0.6
209.08136	0.6
220.29178	0.4
250.99989	2.8
255.08569	1.1
326.12677	0.8
326.16290	0.5
326.28183	0.7
327.10580	0.9
327.13980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01870	1.4
55.05523	3.4
57.03439	3.0
59.04985	0.6
61.02673	0.6
61.02926	6.0
69.03429	9.4
69.07057	0.7
71.04979	1.7
73.02919	3.0
76.44969	0.4
76.78751	0.5
81.03423	3.9
83.08620	13.7
85.02902	60.3
86.03234	0.8
87.04478	1.5
91.03954	3.9
97.02895	14.0
98.23512	1.1
98.98465	100.0
99.04462	2.9
100.02283	0.4
101.09655	9.8
104.89930	0.5
109.02888	4.6
115.03941	0.9
116.99506	1.4
119.10689	1.1
127.03912	15.4
145.04958	26.6
146.05301	0.5
147.10170	3.7
163.06023	7.3
174.99217	14.9
207.28682	0.5
250.99998	2.9
265.08420	0.4
309.15121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42880	0.3
53.34337	0.3
55.05513	11.0
57.03434	0.6
60.04627	0.3
61.02929	0.5
69.03432	1.0
69.07053	0.6
69.25681	1.4
73.06548	0.9
75.83485	0.3
77.01591	0.4
81.03419	0.7
82.30581	0.3
83.08620	30.7
84.08966	0.6
85.02905	4.3
85.83102	0.3
97.02899	1.0
97.74976	0.3
98.22683	0.6
98.98466	100.0
101.09654	3.4
101.45734	0.3
108.59116	0.3
111.08083	2.5
116.99500	1.8
123.93888	0.3
127.03905	0.6
129.09117	46.2
130.09457	1.1
133.64790	0.3
145.04977	0.4
147.10155	11.0
171.42378	0.3
174.99220	15.8
221.95695	0.3
223.24159	0.4
251.00015	3.0
326.16046	0.4
327.13675	0.4
349.16531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
56.05041	0.7
57.03432	0.7
67.05498	1.9
68.05032	2.6
69.03439	0.5
69.07072	1.5
69.47765	2.2
70.06635	0.6
70.62236	0.6
71.04986	1.0
79.05497	2.7
80.05019	2.0
81.07066	1.9
82.06587	1.1
83.05026	0.5
83.08632	0.9
84.04508	8.7
85.02909	10.1
89.06029	1.0
91.05495	2.3
93.07032	6.4
93.61991	0.5
94.06530	0.7
95.08616	1.3
96.04464	1.0
97.06544	0.8
98.98467	84.0
100.11263	1.6
102.05562	1.3
103.05461	1.1
105.07005	2.7
107.08604	3.3
108.08118	25.5
109.08946	1.1
109.10182	0.7
110.09665	1.3
111.04492	0.5
113.02416	0.6
114.05544	5.9
114.21180	0.5
116.07088	1.3
116.99509	1.9
119.07837	0.5
119.08555	2.7
121.06500	0.6
121.10181	1.0
122.09666	12.5
123.10432	2.3
130.05017	0.9
131.03400	0.7
131.04961	1.5
133.06485	1.5
133.08627	1.1
133.10118	3.4
134.09650	0.9
135.08032	0.8
135.11682	6.5
136.11218	3.7
137.05981	6.0
142.05025	1.3
145.06494	0.7
148.11171	1.1
150.12778	24.7
151.07486	0.6
151.13583	9.0
151.14775	1.0
152.14340	9.3
156.13834	0.5
160.06038	1.6
161.13245	2.6
162.09229	0.5
163.07509	4.0
174.99226	12.9
175.00758	0.6
177.11281	0.7
177.12764	0.7
178.15884	0.9
180.09988	0.6
190.15854	0.7
197.00645	0.6
203.07050	0.5
208.13368	1.6
210.07593	1.4
236.16400	1.5
238.10786	1.5
251.00069	2.4
252.12331	2.1
256.15482	1.3
264.16071	0.9
280.15634	0.7
282.17001	100.0
283.17261	6.9
283.20050	0.8
308.18658	1.6
326.19611	92.2
326.27866	2.2
327.10483	19.8
327.19833	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	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
57.03419	0.6
67.05492	1.0
67.17392	0.5
68.05016	0.8
69.07066	1.0
69.73769	2.3
79.05482	2.5
80.05020	2.7
81.03413	1.4
81.07043	2.4
82.06570	0.9
84.04501	6.9
84.04957	0.9
85.02906	9.4
91.05454	0.9
93.07052	5.6
94.06550	1.3
95.08582	1.2
98.02387	1.2
98.98454	5.9
102.05531	1.8
105.07011	1.1
107.08574	2.2
108.08118	21.9
110.09683	1.9
111.67042	0.6
114.05526	2.4
119.08525	0.9
121.10103	0.8
122.09668	10.2
123.10449	1.2
130.04996	0.7
131.03441	0.8
133.10120	0.9
135.11693	4.8
136.11229	3.3
138.05499	0.6
140.97136	0.5
142.04993	0.9
150.12778	25.8
151.13568	9.2
152.14355	8.8
161.13271	0.7
164.14488	0.6
174.99168	0.7
190.15884	1.1
208.13322	2.1
210.07668	1.7
228.08711	1.0
236.16492	1.7
238.10744	1.3
252.12271	1.6
264.15887	0.8
282.17001	100.0
283.17389	7.6
284.18628	2.3
326.19614	77.5
327.19962	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	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
56.05029	0.4
57.03414	0.4
60.08159	0.5
64.32841	0.3
66.38487	0.2
66.96035	0.3
67.05482	1.2
68.05009	1.0
69.07069	1.5
70.49120	0.3
79.05493	2.8
80.05016	1.8
81.03411	1.8
81.07065	2.2
81.67466	0.3
82.06586	0.5
83.08624	0.6
84.04018	0.5
84.04507	6.5
84.08142	0.5
85.02409	0.6
85.02902	10.2
91.05448	1.2
93.07040	6.5
94.06561	0.9
95.06064	0.3
95.08604	1.2
96.08107	0.5
98.02394	1.0
98.06060	0.6
98.98467	27.7
102.05516	1.0
103.03923	0.3
105.07019	1.0
106.06525	0.3
107.08587	2.9
108.08116	23.5
109.08891	1.1
109.10121	0.6
110.09688	2.3
113.02347	0.4
114.05553	1.7
119.08588	0.6
121.10147	0.6
122.09667	12.0
122.10558	0.6
123.10493	2.6
123.11735	0.3
124.11257	0.5
126.02440	0.3
127.03243	0.7
131.03406	0.8
133.10091	0.7
134.06044	0.6
134.09636	0.7
135.11693	5.5
136.11201	3.6
142.04994	0.8
147.72997	0.3
148.11240	0.3
150.12781	25.7
151.02971	0.3
151.13586	8.8
152.07050	0.4
152.14352	9.4
153.12753	0.3
153.15097	0.3
160.06032	0.4
161.10715	0.5
161.13361	0.4
162.09232	0.3
164.28229	0.4
166.12260	0.5
174.99214	4.3
178.15907	0.6
179.14339	0.4
180.06599	0.5
180.10143	0.4
182.11823	0.3
190.15903	0.9
194.11819	0.4
196.17003	0.5
208.09598	0.7
208.13324	1.6
210.07603	2.3
218.15460	0.5
222.11316	0.4
223.08955	0.6
224.09229	0.4
226.10603	0.3
228.12309	1.0
231.52823	0.3
236.16457	1.8
238.10774	1.0
250.99883	0.5
252.12312	2.1
253.13042	0.5
264.15945	0.8
268.80994	0.3
280.15469	0.8
282.16992	100.0
283.17322	6.4
284.18579	2.5
326.19611	73.6
327.10587	0.5
327.14136	1.6
327.19965	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	326.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32807	0.4
55.35544	0.4
57.03434	0.4
59.05008	1.3
67.05515	1.0
69.03425	0.8
69.07063	0.5
70.43855	0.4
71.04996	1.0
73.06552	2.8
77.01603	0.5
79.05486	0.5
81.03436	0.7
81.07070	0.6
84.04523	0.5
85.02909	1.4
87.04468	18.0
89.06031	100.0
90.06361	1.2
91.05475	0.6
91.07600	0.5
93.07030	0.9
95.04987	0.6
98.98467	73.6
100.11269	0.6
105.07033	0.8
107.07100	1.4
108.08102	0.9
109.02833	0.4
109.10165	0.5
111.04446	0.4
114.05535	0.7
116.07117	0.5
116.99513	1.3
117.09165	1.0
119.08573	0.5
122.09696	0.7
123.04433	1.3
127.17526	0.3
129.05479	0.6
130.08649	0.6
131.07048	4.0
133.08604	37.4
134.08904	1.1
135.11664	0.7
137.05942	0.5
140.01151	0.4
147.11723	0.5
149.43803	0.4
150.12807	0.8
156.13838	0.4
161.11772	0.5
161.62035	0.4
174.99226	9.9
175.09615	2.6
177.11224	18.9
177.12779	0.9
178.11545	0.8
179.12782	0.5
179.14276	0.6
191.05516	1.2
195.09875	1.0
196.13104	0.4
210.60057	0.4
219.12190	0.6
221.13838	0.9
223.09422	0.7
223.15402	0.8
235.13304	1.1
241.10484	0.7
251.00003	1.5
265.16385	1.1
282.17032	3.3
282.20264	0.5
283.11603	0.7
283.17380	1.1
309.09341	1.1
309.16599	0.9
326.15897	1.2
326.19516	3.5
326.22998	0.7
327.10199	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	326.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.5
57.07061	1.6
58.29261	1.8
67.05463	1.4
69.89248	1.9
69.89553	2.9
80.94843	2.9
83.56363	1.5
88.07614	8.3
95.04982	1.9
98.98470	100.0
99.64748	1.6
102.45805	1.5
116.99490	3.4
123.04385	3.4
136.92130	1.3
138.38045	1.6
141.05440	6.0
148.88795	1.5
166.63023	1.6
169.04979	23.1
174.99222	15.8
196.85826	1.3
219.54622	1.6
234.50256	1.5
250.99957	2.7
281.17465	16.2
326.14148	44.7
326.34189	6.8
326.37802	5.0
327.14288	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.6
70.06593	0.9
71.44995	0.8
76.52330	0.8
91.72533	0.8
98.97594	6.6
98.98466	100.0
112.36081	0.9
116.98648	3.1
116.99448	0.9
130.09859	0.9
166.07227	7.3
172.94324	7.6
174.99216	15.7
180.55037	1.0
190.95367	3.5
198.12436	2.1
214.95358	10.2
216.98619	1.0
221.15681	0.8
232.96452	18.3
233.96809	1.8
234.99817	1.1
250.29184	0.9
250.97516	7.5
251.00012	2.7
323.25360	0.9
328.03668	1.1
345.03595	3.0
346.04855	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	327.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84558	0.7
55.62775	0.7
59.03210	0.7
67.05486	0.7
68.21494	0.6
69.54903	2.2
75.41399	0.6
79.05489	0.7
85.06554	0.7
87.04472	1.8
89.05475	0.7
89.06032	13.3
90.06358	1.8
95.04973	1.1
98.98466	91.2
99.48197	0.8
104.91234	0.6
116.99548	1.6
123.04446	0.7
127.00039	2.9
133.08591	4.1
134.08943	1.1
137.05960	0.7
157.63536	0.7
174.99225	12.7
177.11215	2.0
179.10423	4.4
195.09933	3.9
223.09436	10.5
227.40495	0.8
235.13316	1.6
241.10481	8.1
251.00052	1.7
259.10263	1.2
283.11621	7.3
309.17020	1.2
326.19916	0.7
327.10458	100.0
328.10840	4.8
345.91754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03951	0.2
55.01862	0.8
60.28316	0.2
65.03935	0.2
66.04720	0.3
66.94061	0.2
67.05490	0.3
69.03445	0.3
69.75377	0.6
76.24844	0.3
77.03933	0.5
79.05492	2.2
81.07061	1.1
83.06302	0.2
85.97530	0.3
91.05482	3.9
93.07024	0.4
94.04189	2.5
95.04969	0.9
97.02950	0.3
98.98463	42.8
103.05463	15.8
104.05801	0.6
105.04527	0.6
105.07022	8.1
107.04950	3.1
108.05752	0.3
109.06509	2.2
115.05469	1.3
116.99496	0.8
117.07025	2.6
119.04958	1.9
120.05733	0.3
121.06503	6.3
122.03645	6.6
123.04369	0.3
123.08074	1.4
128.06216	1.0
129.07002	0.9
131.04924	19.9
132.05170	0.6
133.06483	33.0
134.06819	0.7
135.08052	11.1
136.05222	0.5
137.05969	100.0
138.06310	2.7
141.95927	0.3
143.04942	1.0
143.08511	0.6
144.05698	0.4
145.06476	7.8
145.07579	0.5
147.04414	2.7
147.08034	2.2
148.05249	0.2
149.05991	1.6
151.07538	12.7
152.07890	0.3
153.06944	0.3
155.06062	0.6
157.06468	2.5
159.08070	0.4
160.05215	0.6
161.06006	0.3
162.06778	0.7
163.07535	50.5
164.07892	1.5
165.09192	0.4
171.08029	1.5
173.06023	0.4
174.06772	0.3
174.99214	7.5
175.07542	3.3
177.09096	1.6
179.08586	0.3
187.07555	1.7
189.09148	2.0
194.07201	0.3
195.07901	0.2
202.07814	0.8
203.10635	2.2
207.08083	0.6
217.10201	0.8
220.08849	0.7
233.09619	0.3
235.11157	2.3
237.09128	0.3
245.09605	1.3
247.07562	0.3
248.08386	0.6
251.00084	1.1
263.10669	4.1
264.11176	0.4
295.13260	12.6
296.13638	0.9
312.13623	0.5
314.13812	0.3
325.14352	0.4
326.14948	0.3
327.15887	13.7
328.16061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Confluentin
Peak:m/z	Relative Intensity
55.05513	9.5
57.07064	1.7
65.03946	1.0
67.05504	27.2
68.05842	0.7
69.06709	0.7
69.07068	11.1
69.96104	0.9
72.99924	0.4
77.03931	0.3
78.32949	0.3
79.05485	3.0
81.07054	19.6
82.07371	0.7
82.21202	0.4
83.08621	6.0
91.05468	3.0
93.07047	3.0
93.56321	0.4
95.05002	0.4
95.08603	54.4
96.08940	1.6
97.10181	1.8
97.49262	0.4
98.98465	13.3
105.07018	1.7
107.04952	1.6
107.08611	0.7
109.06415	0.4
109.10156	17.3
110.10498	0.6
111.11735	0.4
115.05441	0.9
117.07012	0.9
117.85231	0.4
119.08582	1.5
121.06520	0.9
121.10169	0.7
123.11676	3.4
129.06998	1.2
131.04927	1.0
131.08620	0.7
133.10078	2.0
135.08075	1.0
137.05972	13.8
139.07506	1.0
141.07014	1.1
143.08594	0.5
144.05705	1.0
145.06487	1.5
147.04457	0.4
147.08011	0.6
147.11636	0.6
148.05167	0.5
149.09727	0.5
151.07553	3.3
151.14819	1.1
155.08571	1.6
157.06468	0.8
157.10187	0.5
158.07301	0.5
158.32382	0.4
159.08058	1.5
160.05231	3.0
160.08809	0.7
161.05977	3.9
162.06731	1.3
163.07533	13.6
164.07886	0.8
165.16380	8.8
169.06448	0.4
169.10112	0.9
170.07249	0.6
171.04367	0.4
171.08043	0.5
172.05182	0.9
173.05948	1.8
173.09573	0.5
174.06776	4.4
174.99149	2.0
175.07541	38.0
175.14729	0.5
176.07941	1.9
177.09102	3.5
183.08049	0.6
184.08873	0.7
185.09610	1.5
186.06819	0.8
187.07536	34.1
188.08299	13.7
189.09105	10.8
189.16351	4.3
190.09570	0.6
191.10571	0.7
197.09567	0.9
198.10263	0.6
199.07645	0.9
199.11055	0.8
200.08328	3.6
201.09096	8.0
202.09840	2.3
203.10657	6.8
213.09114	1.2
214.09888	4.6
215.10667	37.9
216.11423	27.5
217.12201	12.6
218.12685	0.6
227.10680	0.7
228.11505	1.5
229.12231	47.3
230.12885	9.2
231.13786	7.3
232.14268	0.4
233.15363	1.0
243.13794	4.8
244.14294	0.5
245.15361	12.2
246.15776	0.9
247.16789	0.7
250.54434	0.4
257.15408	2.4
259.16913	2.9
271.16901	0.7
285.18365	0.6
327.23175	100.0
328.23529	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	328.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80569	0.2
56.82843	0.2
58.05664	0.2
62.61305	0.2
65.03941	0.8
67.05489	0.3
69.03433	1.0
70.11200	0.6
79.05484	0.8
81.03379	0.3
81.07054	1.3
83.04986	0.3
85.02917	0.6
91.05480	10.1
92.05840	0.3
93.07040	2.5
93.60069	0.2
95.04953	0.3
95.08610	0.8
97.02855	0.2
98.98465	51.7
100.98884	0.3
105.07031	0.7
107.08590	0.8
111.08057	0.3
116.99520	0.9
119.04939	25.1
120.05276	0.8
121.06559	0.3
121.09269	0.3
121.10140	5.7
121.54999	0.2
123.11714	0.9
125.05978	0.3
127.03922	0.3
131.08589	0.5
133.07564	0.2
136.07571	0.7
138.05263	0.2
139.11179	0.3
147.04402	100.0
148.04727	3.2
149.09604	1.3
167.03410	1.0
167.10678	0.9
168.54495	0.2
174.99231	5.3
175.99582	0.6
176.98907	1.9
251.00137	0.3
252.99712	1.0
329.00262	0.3
329.09741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43810	0.4
53.03955	0.3
55.01867	0.3
57.03431	1.3
59.04999	15.5
61.02919	0.8
69.03426	1.0
69.07060	0.4
69.59788	1.2
70.06586	0.5
72.08141	1.0
73.06553	29.2
80.00731	0.3
81.03416	0.9
83.08625	0.7
85.02904	3.7
86.09701	1.5
91.05481	0.4
97.02895	0.4
98.98464	100.0
100.98880	0.5
109.02913	0.4
109.04726	0.3
116.07078	1.5
116.99506	2.0
117.09127	3.4
119.04966	0.4
120.04433	0.4
120.08065	0.3
127.03950	0.4
131.04913	0.5
131.10687	3.2
133.02834	0.3
138.03136	0.3
140.01086	0.3
145.04910	0.7
147.04446	0.5
148.03952	0.5
149.11723	20.5
150.12105	0.4
151.03928	0.8
159.04489	0.3
165.05475	0.4
166.08647	0.5
169.09686	0.4
174.99211	9.7
175.99606	1.0
176.98914	4.0
177.01839	0.9
177.05486	0.8
179.03502	0.3
181.04979	2.3
185.16508	0.6
187.03889	0.8
191.03349	0.8
193.05002	0.7
195.02856	0.7
197.04498	0.8
199.40685	0.3
204.04283	0.5
205.04967	1.3
209.04497	1.4
212.07712	0.3
219.06451	0.4
221.04451	1.1
233.04472	1.3
243.07285	0.3
245.04404	0.4
247.06047	1.1
250.99994	1.5
251.05574	0.9
252.00410	0.5
252.99608	1.9
263.05530	2.3
275.05530	1.5
285.08524	1.5
293.06366	0.6
328.10291	0.3
328.13971	1.1
328.21066	0.6
329.06146	1.4
329.12027	2.8
329.15720	2.7
329.19226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05511	4.7
56.05040	0.4
57.03432	1.5
57.07059	1.2
67.05496	3.4
68.05027	7.1
69.03429	0.7
69.07065	5.4
70.06590	1.3
71.00994	0.7
71.01351	7.2
71.04993	1.2
71.08627	0.8
71.15217	0.4
79.05483	3.3
80.05009	0.4
81.03412	0.6
81.07054	5.8
82.64179	0.4
83.04976	1.5
83.08622	2.8
84.04497	1.1
85.02920	0.5
85.06512	0.6
85.10187	0.4
86.06063	22.0
90.01611	0.3
91.05477	0.9
93.07041	4.4
94.06583	0.5
95.04936	0.8
95.08604	5.1
97.06535	1.8
98.98460	100.0
99.08109	0.5
100.98891	0.9
105.07038	1.3
107.08595	4.0
108.08099	0.9
108.08992	0.4
109.02893	0.4
109.06495	2.3
109.10149	3.1
111.08070	1.3
112.07607	0.5
114.05515	1.0
116.07092	0.7
116.99508	2.1
119.08578	1.1
120.08065	0.4
121.10167	2.2
123.08059	0.6
124.07569	1.1
125.09653	1.1
130.04977	3.2
132.06557	33.0
133.10107	0.6
135.11678	3.0
137.05936	0.9
137.09612	0.7
137.13219	1.0
138.09097	1.7
139.03854	0.5
139.11171	0.6
142.08720	0.4
143.04008	0.4
144.06552	1.3
147.04341	0.5
148.11206	1.9
150.12720	0.4
151.11194	1.1
151.14844	1.2
152.07034	0.4
153.12733	7.4
153.13884	0.7
155.14163	0.5
158.08110	5.2
161.13257	1.4
166.12262	3.4
167.03442	0.8
170.06677	0.5
170.08098	7.1
171.08467	0.4
174.99220	10.9
175.99600	1.2
176.98895	4.4
179.14307	2.0
183.08951	0.5
184.13319	0.5
194.11742	0.8
197.15359	17.2
198.15675	0.8
204.08911	0.4
212.12801	92.4
213.13152	3.4
238.18025	1.6
250.09250	0.4
251.00017	1.2
252.00243	0.7
252.99670	2.0
254.17488	0.4
266.17542	0.7
275.06879	0.5
282.20502	0.9
284.18521	4.4
296.10168	0.4
310.20090	19.2
311.20450	0.8
328.12915	1.6
328.21164	54.3
329.21439	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	328.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26552	0.3
55.05506	1.3
57.07070	0.6
62.74201	0.3
67.05493	0.9
68.05025	1.4
69.03449	1.9
69.07072	4.6
70.06589	4.7
71.44392	0.4
72.08154	0.7
73.02929	0.5
74.02472	0.5
75.04475	0.5
79.05498	1.2
80.05022	1.0
81.07042	2.3
82.20488	0.3
83.08625	2.4
85.02903	0.7
86.06059	1.7
87.04462	2.4
88.03999	0.7
91.05485	0.9
93.07040	2.3
94.06567	0.4
94.57557	0.3
95.04958	0.6
95.08619	1.6
96.08154	0.5
98.09676	0.4
98.98467	100.0
100.98891	0.9
104.07117	0.5
105.07034	1.0
107.08607	1.3
108.08115	14.8
109.08942	0.6
109.10145	0.5
109.84760	0.3
110.09679	1.0
111.08080	1.1
112.07613	1.1
114.05532	0.6
116.07120	0.3
116.99518	1.8
119.08592	0.8
122.09660	6.2
123.10422	0.9
123.11729	0.4
124.07609	0.5
125.13239	0.4
132.06551	1.9
133.10091	0.5
135.11693	1.2
136.07602	0.4
136.11209	2.3
137.13205	0.6
138.05515	0.5
140.07060	1.6
142.08624	0.6
144.06587	0.4
148.07642	0.5
149.06145	0.3
149.11690	0.5
150.11571	0.7
150.12782	13.8
151.13574	5.6
152.14336	3.7
153.12741	0.6
161.13286	0.4
163.07466	0.3
164.14336	0.8
167.03407	1.2
169.13417	1.0
174.99216	10.7
175.99579	0.5
176.98883	3.9
178.15915	0.5
194.07971	0.5
195.02693	0.3
195.16235	0.4
197.12909	1.0
197.15337	0.5
202.10733	1.3
209.04309	0.4
210.14885	10.4
211.15213	0.4
212.09167	1.5
212.16545	0.4
224.08942	2.3
230.11353	0.4
230.13838	0.6
243.89822	0.3
251.00037	0.9
252.99670	1.6
254.13887	0.6
254.17519	1.1
266.17545	0.7
282.16968	0.5
284.18570	46.6
285.18884	2.7
286.20166	1.1
296.18503	0.6
310.20313	0.6
328.13803	10.9
328.21191	54.0
329.15652	8.8
329.21439	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13419	2.2
52.27678	2.4
53.03930	2.9
55.01880	2.8
55.05510	25.2
57.03434	5.9
60.19994	2.4
67.05505	53.3
67.05857	3.2
69.03423	4.5
69.07070	46.4
69.94019	7.9
70.03840	2.4
71.04976	7.9
79.05493	36.4
80.05817	2.8
81.03394	7.3
81.07055	91.8
82.07368	2.5
83.04971	10.1
83.08622	15.1
85.06530	7.0
91.05484	31.0
91.83969	2.6
93.07044	38.0
95.04957	14.6
95.08598	34.5
97.06528	11.8
97.10133	4.3
97.13170	3.1
98.09671	4.3
98.98467	100.0
105.07046	31.2
107.04949	4.7
107.08595	29.8
109.06509	9.4
109.10168	15.8
111.08076	6.5
112.64919	2.4
114.31141	2.7
115.51066	2.7
117.07018	7.4
119.08585	29.9
121.10125	17.0
123.08067	9.0
123.11703	6.8
125.09586	2.5
131.08575	14.1
133.10135	26.4
135.11705	26.0
137.09627	7.4
143.08517	4.0
145.10094	10.4
147.11716	19.0
149.09622	4.7
149.13252	9.8
151.11226	3.8
152.14330	2.6
155.08566	2.4
159.11674	12.5
161.13289	2.8
163.11151	7.5
163.14877	4.0
165.12753	3.4
173.13164	4.7
174.99252	10.5
176.98891	4.5
177.12692	4.3
181.12210	20.9
195.13844	16.9
199.13347	3.5
233.39249	3.0
235.17093	2.5
237.14775	2.6
238.94910	2.7
239.17831	2.7
257.19052	3.6
260.48004	2.6
275.20007	34.9
293.21045	8.1
328.18790	32.0
329.29428	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21622	0.6
55.05511	4.5
57.03437	0.8
57.24635	0.5
65.03956	0.7
67.05503	8.9
67.66476	0.6
69.03416	0.8
69.07076	2.9
79.05492	9.4
81.07054	5.7
82.62336	0.6
83.05028	0.7
83.08616	2.3
91.05478	4.9
93.07043	9.1
95.04968	2.7
95.08601	4.2
97.10185	2.0
98.23516	1.4
98.98465	100.0
100.98869	0.7
104.99266	2.2
105.07005	4.2
107.08576	3.2
109.10147	4.1
111.08083	1.5
116.99499	2.6
117.07034	1.0
119.08569	3.0
121.10132	5.8
125.09634	1.1
129.06982	0.6
131.08551	1.8
133.10150	2.1
137.09593	1.9
140.01083	1.6
145.10106	0.7
147.11716	1.5
149.13304	0.7
155.10612	0.9
159.11720	1.2
172.94318	0.7
173.11740	3.5
174.99203	10.0
175.99536	0.6
176.98897	3.9
189.11192	1.0
190.95425	0.6
193.12111	0.7
208.96384	0.6
232.96465	0.9
247.00333	0.7
250.99976	0.7
252.99731	1.9
257.19077	0.8
275.20059	2.2
293.21082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	21.6
55.05510	14.4
57.07069	1.9
67.05503	10.6
69.03430	1.7
69.07071	6.7
71.04976	1.7
72.08167	4.0
79.05494	8.1
81.03424	2.4
81.07067	11.4
83.04981	2.9
83.08606	2.1
85.10154	1.3
91.05485	5.5
93.07037	7.6
95.04977	3.2
95.08617	8.1
97.06568	1.1
97.10168	4.5
98.23512	2.9
98.98470	100.0
101.91821	1.0
104.99283	3.3
105.07053	3.3
107.04964	3.7
107.08596	3.5
109.06519	1.4
109.10141	5.7
116.99503	1.9
117.07042	1.5
119.08592	3.4
121.06496	1.5
121.10193	3.0
123.08071	2.1
125.09632	32.8
126.09948	1.3
127.60637	1.0
131.08514	2.5
133.10155	3.5
135.08055	2.5
135.11646	1.4
137.09627	4.0
138.13608	1.0
139.11212	1.5
140.01065	1.3
145.10138	1.8
149.06091	1.1
149.09587	1.3
151.11191	5.4
159.11722	1.8
163.11185	1.8
163.14824	1.5
163.57112	1.1
167.10701	2.4
169.12260	1.2
172.94350	1.4
174.99214	10.1
176.98923	4.1
177.12775	4.2
191.14334	1.9
195.13870	1.3
203.89363	1.0
209.11801	1.3
212.78265	1.1
227.34903	1.0
247.00629	1.1
252.99870	1.1
257.19019	2.2
275.19986	7.7
284.53149	1.1
293.21143	8.4
311.31363	4.3
318.35052	1.1
328.31665	2.7
328.34540	3.2
329.17215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20516	0.6
55.01869	1.6
55.05510	10.5
62.66201	0.5
63.90691	0.5
66.28642	0.7
67.05505	4.6
69.03419	1.2
69.07059	6.3
69.20219	1.2
69.20626	1.8
77.01584	0.6
79.05489	6.1
81.07050	3.8
82.13137	0.5
83.04954	1.3
83.08617	8.1
91.05470	2.2
93.07054	2.5
95.08619	2.9
97.10168	15.2
98.22657	1.1
98.98464	100.0
100.98901	0.7
104.99300	1.4
105.07010	3.2
107.08589	16.2
109.10130	1.4
111.08093	0.8
116.99500	1.6
117.40941	0.5
119.08618	0.9
121.10107	0.8
125.09628	12.7
133.10139	2.2
134.13718	0.6
135.08066	1.0
140.01059	0.9
145.10085	1.3
147.11658	0.8
149.09612	1.2
153.09125	1.3
159.11717	0.7
163.11221	0.7
171.10135	1.8
172.94418	0.8
174.99229	9.9
175.99544	1.0
176.98943	4.5
189.11206	22.3
190.11546	0.8
190.95428	1.1
227.96835	0.7
232.96524	1.9
247.00337	0.9
250.97566	1.0
250.99940	1.0
252.99785	1.9
257.19028	1.8
257.50073	0.5
269.21051	3.4
275.17026	1.0
275.20062	18.2
276.20462	0.9
293.21042	2.2
318.48309	0.7
328.28564	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03424	0.8
57.07062	0.6
59.53247	0.6
61.53838	0.6
67.05502	6.3
69.03433	1.0
69.07061	1.8
71.43799	0.6
79.05497	6.0
81.03430	0.7
81.07060	4.6
83.08661	1.1
91.05492	3.7
93.07047	5.0
95.04977	1.9
95.08595	3.3
97.06545	0.8
97.10189	1.3
98.98466	100.0
100.98896	0.9
104.99274	2.2
105.07014	2.7
107.08598	3.1
109.06506	0.7
109.10146	3.9
116.99484	1.8
117.07018	1.2
119.08560	2.4
121.10137	2.5
125.09602	0.7
131.08566	1.0
133.10141	1.7
135.11673	0.6
137.09633	1.8
140.01059	1.0
145.10139	0.6
147.11722	0.9
159.11771	0.6
172.94350	1.1
173.11772	2.0
174.99219	10.8
175.71970	0.5
176.98946	4.5
189.11215	0.6
190.95412	1.2
197.58859	0.5
232.96440	1.3
247.00308	0.6
250.97556	1.0
250.99968	1.1
252.99791	1.3
275.20078	1.7
293.21347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01871	7.6
55.05515	10.4
57.07076	4.2
65.03944	1.8
67.05511	28.3
69.03426	2.3
69.07078	9.7
69.85746	1.1
69.86098	4.0
71.04996	4.6
71.08609	1.1
79.05494	11.7
81.03433	3.2
81.07069	23.2
83.04990	4.2
83.08618	6.8
85.06552	3.6
85.10196	1.9
91.05480	15.5
91.82828	1.2
93.07048	13.4
95.04974	6.0
95.08612	14.0
97.02914	1.4
97.06561	2.3
97.10165	2.4
98.23409	1.7
98.98472	100.0
100.07642	1.8
104.99294	4.2
105.07050	16.2
107.04963	3.0
107.08601	17.9
108.08971	1.1
109.06538	4.3
109.10163	31.5
111.08052	1.9
113.06020	1.7
116.99487	3.0
119.08576	5.5
121.06532	2.3
121.10162	5.2
123.08083	4.2
123.11704	3.9
125.09630	2.1
131.08597	3.8
133.10139	35.2
135.08066	1.2
135.11697	3.2
137.09621	4.6
142.26918	1.0
145.10110	3.5
147.11676	3.8
149.09630	2.0
149.13251	1.9
151.11188	27.1
155.08603	1.2
157.31761	1.3
159.11743	1.8
161.13240	1.5
163.11208	4.4
165.09142	2.0
169.12297	8.6
172.66510	1.2
173.13365	1.7
174.99249	10.4
176.98973	2.6
177.12759	1.4
179.10703	2.7
179.14450	1.2
209.09831	1.2
215.12781	3.5
239.18071	1.6
247.00381	2.7
247.20544	3.4
252.99710	1.4
257.18997	3.8
265.21649	1.5
269.24829	1.5
275.20099	22.4
276.20438	1.6
293.21124	17.6
294.21060	1.4
303.65067	1.4
310.30939	6.6
328.28677	2.4
328.32065	5.6
328.35776	9.7
334.46143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.2
57.03438	9.1
65.27386	2.4
68.51352	2.5
69.03438	7.9
69.12045	2.5
69.69517	8.7
73.02900	3.3
79.05492	4.1
85.02908	26.7
86.35243	3.3
87.04510	2.7
89.35616	2.6
91.05492	3.9
95.04951	2.7
98.98474	12.4
103.03941	9.2
103.05463	5.6
107.04994	3.7
115.05460	3.5
117.03410	2.8
119.04944	8.7
121.02890	4.4
125.06007	4.9
131.04927	19.9
133.02881	18.6
133.06485	2.9
138.03140	9.4
145.02841	5.3
147.04358	15.4
149.02354	4.1
150.03114	17.6
151.03897	11.6
152.00983	2.9
153.05504	13.7
159.04416	29.2
161.06041	3.6
162.03157	14.8
163.03903	7.1
165.05458	12.6
166.02608	9.8
167.03336	3.7
171.04431	4.3
173.02353	4.3
175.03920	20.8
176.04703	14.1
177.01830	42.6
177.05440	17.3
178.02611	9.9
179.03374	22.0
179.06976	5.7
180.00539	6.6
181.04953	95.5
187.03848	18.5
189.05421	4.5
190.02615	5.9
191.03389	54.6
191.07022	8.3
192.04181	4.9
193.01347	3.6
193.04987	32.5
194.02141	11.2
195.01166	4.8
195.02885	40.3
197.04428	38.5
199.03841	4.2
201.05382	3.2
202.02557	7.0
203.03352	4.7
204.04153	13.7
205.04953	48.6
206.02087	7.4
207.02858	7.7
207.06558	8.9
209.04437	75.8
211.02415	4.7
215.03389	15.0
216.04153	6.5
217.04968	7.4
219.03038	15.4
219.06462	31.9
220.03595	5.5
221.04442	49.4
223.02341	16.0
223.06000	8.7
229.04959	4.5
231.06522	4.1
232.03723	7.4
233.04417	57.3
235.06041	15.8
237.03949	5.4
242.01884	3.2
243.02968	6.4
245.04468	17.9
247.05995	66.1
249.04010	5.4
251.05495	58.6
255.04863	2.9
257.04602	12.7
261.44397	2.9
263.02692	5.0
263.05508	100.0
275.05508	57.1
281.06467	8.7
293.06573	37.0
311.07565	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	329.0866
Annotation	BERGENIN
Peak:m/z	Relative Intensity
53.01225	3.1
55.01862	4.0
56.41874	2.8
57.03428	10.2
61.02925	4.7
65.03938	3.3
69.03429	10.1
69.71014	9.9
74.36681	2.9
77.03951	4.9
78.24292	2.7
79.05488	5.5
85.02891	22.1
88.24718	2.6
91.05493	6.6
95.04957	3.3
97.02900	3.6
98.98461	4.8
103.03960	8.6
103.05458	5.5
105.03328	4.3
107.04948	5.1
115.05447	4.4
118.72946	3.0
119.04955	12.4
123.04430	3.2
125.05988	5.8
131.04903	26.9
133.02841	27.9
137.02319	3.4
138.03146	7.8
138.60916	3.0
145.02863	5.2
146.03610	4.4
147.04410	16.6
149.02330	3.9
149.05942	4.0
150.03084	23.9
151.03896	24.8
153.05479	10.9
159.04390	38.4
161.02272	3.9
161.05948	4.8
162.03108	15.0
163.03922	12.5
164.04634	5.7
165.05463	13.6
166.02618	13.7
167.03394	5.9
171.04375	4.2
173.02267	3.9
174.03152	4.0
175.03902	19.0
176.04622	15.4
177.01805	48.2
177.05415	19.1
178.02579	15.8
179.03374	35.2
180.00575	12.6
181.04926	100.0
182.02075	3.0
182.05165	3.9
183.99658	2.8
186.03101	4.5
187.03883	20.9
190.02631	8.5
191.03372	57.7
191.07068	7.9
192.04112	6.4
193.01369	6.9
193.04935	38.4
193.08908	3.2
194.02107	11.2
195.02855	43.8
197.04399	36.1
199.03886	4.0
201.05374	4.0
202.02654	7.3
203.03416	8.4
204.04185	12.0
205.04941	64.8
206.02135	7.0
207.02885	7.9
207.06589	10.9
208.03572	4.6
209.04449	68.4
211.02356	6.9
215.03374	13.4
216.04137	7.3
217.04965	10.4
218.02182	6.0
219.02913	11.8
219.06447	25.8
221.04471	47.2
223.02379	12.7
223.06036	6.2
225.03923	4.1
229.04976	7.2
230.02081	6.4
231.06587	3.8
232.03615	7.9
233.04399	54.9
235.06017	12.7
237.03915	5.8
243.02942	4.4
245.04492	14.6
247.05992	51.4
249.03922	7.9
251.05478	48.8
255.04970	3.6
257.04471	8.0
263.05502	76.0
263.08157	5.8
264.05954	5.4
275.05463	54.5
281.06659	7.3
293.06512	30.1
311.07611	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	329.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03430	1.1
60.67521	0.4
65.00790	0.5
69.03418	1.4
70.72015	0.7
79.05487	1.0
85.02905	3.4
91.05486	0.6
95.05005	0.5
97.02898	0.5
98.98466	75.3
103.03949	0.7
105.03410	0.6
107.04955	0.6
110.03573	0.5
112.02804	0.5
115.05429	0.5
116.99500	1.0
119.04959	0.8
120.08070	0.7
125.05963	0.6
131.04913	1.9
131.59453	0.4
133.02817	2.6
138.03136	0.5
143.04976	0.5
147.04393	1.9
149.02361	0.7
149.05989	0.6
150.03098	2.4
151.03883	1.2
153.05467	1.4
159.04402	3.4
162.03075	1.2
163.03917	1.4
165.01837	0.4
165.05441	1.1
166.02647	1.0
167.03465	0.7
167.06914	0.8
173.06009	0.5
174.99222	6.5
175.03897	2.3
176.04662	1.4
176.98930	2.9
177.01826	5.2
177.05511	2.3
178.02504	1.0
179.03433	1.9
180.00520	1.2
181.04948	10.7
182.05377	0.6
187.03905	2.3
188.04500	0.7
189.05516	0.5
191.03372	5.6
191.07002	1.0
192.04042	0.8
193.04961	3.2
194.01971	0.9
195.02869	3.6
197.04469	4.4
202.02657	0.5
203.03357	0.7
204.04160	1.4
205.04974	5.7
207.02890	1.3
207.06645	0.6
209.04463	8.2
214.02585	0.5
215.03386	1.7
217.05058	1.1
219.02954	1.5
219.06540	3.6
220.03513	0.5
221.04404	5.7
223.02400	1.7
223.05994	0.8
229.04961	0.7
232.03723	1.3
233.04445	6.4
235.05998	1.0
237.03903	0.9
245.04468	1.3
247.05998	5.2
249.04037	0.6
251.05470	6.0
252.05830	0.5
252.99742	1.7
257.04407	0.9
263.05530	9.0
264.05939	0.7
275.05441	5.5
281.06592	1.5
283.12494	0.5
293.06396	3.3
311.07532	0.9
329.12057	100.0
330.12369	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	329.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90363	0.9
52.57498	0.8
55.05493	0.7
63.68455	0.7
67.05497	1.5
69.03423	2.1
71.05000	6.3
79.05495	9.7
81.07050	3.9
83.04967	0.8
86.81818	0.7
89.47798	0.8
91.05479	8.7
93.07050	2.1
95.04974	2.5
95.08654	0.8
97.06526	2.0
98.98468	100.0
99.04441	8.0
103.05537	0.8
105.04507	1.2
105.07036	16.1
107.04957	13.2
107.08614	3.2
109.06508	1.6
109.10176	2.1
113.06007	2.0
116.99504	1.4
117.07059	2.6
119.08580	20.9
121.06503	4.3
125.06017	1.7
128.06239	3.2
129.07008	2.7
131.08556	1.3
132.05687	1.2
133.09180	1.5
133.10130	21.6
135.08089	0.8
137.09639	4.4
143.08557	9.0
145.06548	1.2
145.10139	2.8
146.07307	4.2
147.08064	18.1
161.09616	63.7
162.09966	2.7
163.07574	0.7
163.11180	1.0
165.09117	7.2
171.08051	1.8
174.06766	1.2
174.99229	9.1
176.98911	5.1
179.10655	8.9
189.09105	13.7
204.62712	0.8
207.10168	29.8
208.10507	2.8
222.72955	0.9
225.11211	4.5
252.99771	1.9
293.10098	1.0
311.11353	2.5
329.12259	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	329.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
54.64887	0.3
55.01871	0.6
55.05509	0.9
57.03437	1.0
61.02912	0.4
65.03936	0.4
65.93993	0.3
67.05505	1.3
69.03435	1.9
69.03751	0.3
69.07056	1.5
71.04996	1.3
77.01588	0.5
77.03862	0.3
79.05492	9.1
81.03421	0.5
81.07051	2.5
82.43440	0.3
83.04979	0.7
85.02905	1.2
86.06059	0.4
91.05479	11.0
93.07050	4.9
95.04973	1.3
95.08632	1.4
97.02924	0.6
97.06528	0.6
98.98466	100.0
99.04453	1.2
100.98870	0.8
103.05479	0.6
105.07027	35.8
106.07364	1.1
107.04936	1.5
107.08591	12.9
108.08945	0.5
109.02827	0.3
109.06513	4.4
109.10149	1.2
111.04431	0.8
113.05998	0.5
116.99487	1.6
117.07000	2.1
119.04948	0.7
119.08581	33.2
120.08937	0.8
121.06491	0.3
121.10123	1.8
123.08091	1.9
125.05991	0.3
128.06169	0.4
129.07004	0.6
131.04916	0.3
131.08528	1.3
132.06593	0.4
133.06514	2.8
133.10126	44.2
134.10509	1.9
135.08089	0.8
135.11685	0.6
137.05966	1.7
137.09634	2.3
143.08545	1.2
145.10124	1.2
146.07249	0.7
147.04401	0.7
147.08081	2.0
148.02126	0.7
149.02484	1.0
150.03145	0.4
150.09131	1.1
151.03906	0.5
151.07535	10.9
151.11151	0.4
153.05408	0.5
159.04494	0.5
161.05988	0.4
161.09612	16.2
162.09906	0.8
163.07570	1.2
163.11162	3.6
165.09123	2.3
166.03177	0.6
167.03514	2.4
168.10214	0.4
174.99229	11.2
175.03946	0.4
176.04744	0.3
176.98921	4.5
177.01797	0.9
178.02687	0.3
179.03415	0.9
179.10667	30.2
180.11035	1.5
181.04985	2.0
187.04019	0.3
189.09099	8.4
190.09444	0.5
191.03410	1.0
193.04950	0.5
195.02922	0.9
197.04465	0.8
198.11342	0.3
205.04938	1.3
207.10161	6.2
209.04451	1.4
214.14169	0.3
219.06470	0.4
221.04341	0.7
221.55638	0.3
225.11221	1.5
233.04433	1.0
247.05945	1.1
250.99954	0.6
251.05522	0.9
252.99733	1.7
263.05551	1.7
275.05399	0.9
285.18704	0.6
293.06461	0.7
329.11893	2.9
329.15686	3.2
329.21298	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
67.05503	0.3
69.03397	0.5
69.07065	0.8
70.64288	0.3
79.05495	0.8
81.07051	0.9
85.02901	1.3
91.05487	1.3
93.07045	1.1
95.08584	0.4
97.02899	0.5
98.98466	100.0
100.98896	1.0
101.07653	0.3
105.07022	1.9
107.08609	1.1
109.10136	0.3
116.99493	2.0
119.08584	1.5
121.10159	1.3
127.03917	0.4
131.08592	0.4
132.06580	0.6
133.02896	0.3
133.10109	1.9
136.03954	2.3
137.05952	0.4
149.09651	0.3
151.07585	0.7
153.05499	0.3
161.09656	0.7
163.03978	0.3
167.03368	0.6
167.10541	0.4
168.06537	0.8
171.02904	0.4
174.99219	10.7
176.98915	5.2
177.01778	0.3
179.10689	1.3
181.04971	0.9
189.09123	0.3
191.03429	0.3
195.02827	0.3
205.05028	0.3
207.10365	0.3
208.05223	0.4
209.04510	0.4
233.04503	0.3
245.73372	0.3
251.00029	1.0
252.99712	1.7
263.05383	0.5
279.06418	0.6
285.08337	0.4
285.18393	0.3
311.09171	1.2
312.21307	0.3
315.08850	0.3
329.12143	5.0
329.15671	70.9
330.12234	0.4
330.15997	3.4
340.19891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	1.1
61.48684	0.6
72.04510	2.6
88.07613	1.2
89.61331	0.7
91.53001	0.7
96.20441	0.8
98.98470	56.0
104.99289	1.7
128.23332	0.7
140.01060	0.9
152.79089	0.7
169.34474	0.7
174.99229	4.9
176.98933	2.7
222.89946	1.0
233.43741	0.7
240.90912	1.5
264.90985	1.1
305.92276	1.6
306.91919	2.7
310.31039	1.9
311.31329	2.2
329.20865	100.0
330.21234	7.7
330.33615	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	330.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01867	1.3
55.05498	0.7
57.03436	2.6
61.02925	5.3
67.05500	1.4
69.03429	11.6
69.07072	3.3
70.06591	0.9
71.04986	3.4
73.02909	2.0
73.06565	0.7
73.90681	0.4
79.05484	0.9
80.05013	1.5
81.03417	5.7
81.07052	3.7
83.01338	0.5
83.08619	0.9
85.02902	33.0
86.09696	2.2
87.04466	1.9
91.03961	2.0
91.05469	1.2
93.07054	0.7
95.04926	0.4
95.08614	1.4
97.02892	9.6
97.06557	2.0
98.98466	49.0
99.04438	2.1
100.98886	1.1
103.03939	0.3
105.06998	0.8
107.08586	0.7
108.04463	3.0
109.02876	4.3
109.10148	0.9
116.07076	1.5
116.99494	1.0
121.10117	0.5
123.11706	4.6
126.05482	0.5
127.03912	7.6
133.10098	0.8
135.11789	0.4
136.03935	100.0
137.04303	2.3
137.05995	0.6
137.09673	0.4
145.04970	5.7
148.03912	0.7
150.05486	1.2
151.11151	2.7
153.12711	1.3
158.93420	0.4
160.03889	0.6
168.06561	48.3
169.06914	1.5
169.12195	2.2
174.99231	3.3
175.99565	0.6
176.98953	3.3
178.04980	1.3
178.08618	1.0
183.45654	0.4
199.18018	0.4
205.07108	0.5
208.05205	2.6
210.07654	0.6
214.04982	1.0
216.06525	0.5
236.04543	0.7
252.99803	0.6
254.05705	1.0
269.07996	1.9
272.06796	0.5
280.07925	0.6
287.09399	0.6
294.09720	1.6
312.21561	2.0
315.08554	4.0
330.11160	6.4
330.15997	1.9
330.19171	0.4
330.22681	0.7
331.04382	1.3
331.08090	0.7
331.13058	1.2
351.82581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.9
59.96439	2.0
61.02921	4.4
69.03427	5.5
69.58123	7.3
73.02899	1.8
81.07047	3.9
83.01344	4.0
85.02905	12.8
91.05486	4.5
97.02850	3.7
98.22683	3.6
98.98466	100.0
100.98875	2.1
103.03943	8.8
105.07031	3.6
116.99529	1.6
117.06972	1.7
121.06493	15.3
131.04907	2.9
133.06487	4.8
135.04436	3.2
137.05991	4.1
145.06487	2.7
147.04420	4.0
149.05963	15.5
151.11176	2.2
159.05540	2.2
160.05128	2.6
161.05994	18.7
163.03931	7.3
163.07523	4.5
165.05414	14.1
169.06395	2.6
169.12231	2.2
174.99261	4.4
175.03873	17.6
175.07582	4.6
176.04311	3.3
176.98911	6.2
177.05481	6.7
179.03365	10.2
179.06960	2.2
181.04987	14.7
182.66745	1.8
189.05464	41.6
191.03363	2.8
191.07082	4.3
193.04979	39.6
201.05414	6.4
203.07028	6.5
205.04965	45.4
206.05405	2.3
207.02907	10.2
207.06499	4.1
209.04395	2.3
213.05487	5.5
217.04970	26.7
219.06470	4.6
229.04947	4.4
231.06473	11.8
233.04192	2.0
235.06009	65.6
236.06331	2.2
241.04837	3.2
247.05962	19.9
259.05966	14.3
265.07086	5.9
277.07104	20.8
295.08047	14.0
303.88403	2.0
313.09146	29.0
314.09402	1.9
330.16168	2.5
331.08197	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	330.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61432	0.6
53.03949	1.9
55.01877	1.5
57.03439	13.2
59.04997	2.0
61.02927	12.8
61.22302	0.5
62.06096	3.9
62.06356	0.7
69.03427	14.0
69.07076	0.7
70.06593	3.1
71.01358	1.4
71.04993	5.4
73.02917	27.5
81.03431	2.2
83.04980	1.0
84.04460	0.7
84.08152	3.3
85.02905	33.0
85.06561	0.7
87.04466	8.8
89.25157	0.6
91.03950	1.6
97.02892	17.2
98.98466	100.0
99.04449	1.3
100.11283	1.6
100.98904	1.6
103.04005	0.8
105.05508	22.0
105.06213	1.4
109.02872	3.4
110.07162	1.3
110.09646	0.8
115.03932	20.6
116.99525	1.8
119.01935	1.1
122.05972	0.9
127.03923	10.6
129.10214	0.9
130.08691	1.3
133.04965	35.2
145.04958	14.7
150.05521	5.7
150.09122	1.1
151.04814	1.3
151.06013	24.0
152.07034	0.7
161.02991	1.6
163.06018	20.8
168.06538	3.8
168.10161	2.0
174.99222	5.4
175.99629	0.7
176.98923	8.4
184.07605	0.9
202.08670	0.9
210.04787	0.8
223.06027	0.8
241.06969	2.2
246.04971	0.6
248.09238	0.8
259.08176	2.6
264.06009	0.8
271.18811	0.7
295.10281	9.3
312.10797	1.0
330.05756	1.8
330.11926	2.1
330.20248	0.8
331.09940	2.5
331.13367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
50.23733	0.7
50.60330	0.7
53.03941	2.7
55.05499	1.3
57.03436	1.4
65.03946	1.3
67.05494	3.4
69.03431	11.3
69.07076	0.9
69.12904	2.6
69.13324	1.9
73.02913	1.7
75.19631	0.8
77.03936	0.8
78.48936	0.7
79.05506	3.6
81.07058	6.7
83.04970	3.7
85.02902	5.4
87.04475	1.8
91.05473	8.6
93.07050	10.0
95.04967	5.1
97.02901	3.9
98.06070	1.3
98.98465	100.0
100.98910	1.8
105.07017	7.7
107.04971	0.7
107.08599	3.0
108.08118	1.3
109.02883	15.6
109.06514	4.8
109.10172	0.9
110.06046	1.0
111.04748	0.7
115.03918	4.9
115.05392	1.1
116.99495	2.3
117.07032	2.3
119.04870	0.9
119.08585	12.0
121.06505	9.9
121.10164	2.1
123.06828	0.8
127.03963	1.0
128.06204	1.5
129.07024	3.4
130.07802	0.9
131.08566	12.2
133.04974	5.5
133.10094	3.8
134.07236	1.0
135.04445	1.3
135.08073	4.7
135.20734	0.7
136.07567	1.3
141.07037	1.3
142.07758	1.0
143.08563	5.6
144.08170	1.3
144.09282	5.3
145.04971	1.2
145.06494	4.3
145.10135	6.7
146.09651	0.9
147.08044	2.3
148.07571	2.3
149.09612	10.0
152.07092	1.8
153.06976	1.6
155.08542	3.9
157.10130	2.1
158.07253	2.1
158.10933	6.0
159.08086	9.3
159.11690	22.9
159.71326	0.9
161.09665	2.4
168.09375	3.3
169.10091	1.3
170.10884	2.8
171.08034	5.7
172.07536	1.4
172.08847	11.8
173.09637	13.3
173.13249	16.4
174.13603	0.9
174.99191	4.3
175.07561	2.9
175.99478	1.6
176.98894	6.2
178.07721	1.0
180.06557	7.7
181.06384	1.3
183.11693	5.8
185.09668	1.3
185.13278	1.0
186.10396	22.3
187.07576	2.2
187.11177	50.6
188.11478	2.5
189.09164	1.5
193.10086	1.8
194.08066	4.1
196.08804	6.2
198.07428	0.8
199.07584	1.2
200.10835	1.4
201.12732	35.5
202.13106	2.5
211.11183	10.2
214.09898	3.1
228.10248	2.8
229.12236	67.0
230.12617	4.0
247.13368	0.9
252.99792	1.0
256.13525	1.1
256.16977	1.4
272.16489	4.5
274.10791	2.5
284.16461	9.8
302.17426	3.8
307.97745	1.3
312.15979	1.2
330.16992	82.7
331.08194	3.4
331.11731	1.1
331.17340	6.6
331.20984	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86587	1.9
53.03947	2.2
55.01877	6.1
55.05508	21.2
57.03432	12.9
57.07071	8.9
67.05501	66.4
69.03429	2.5
69.07068	21.3
69.56239	8.7
71.05005	3.7
71.08623	5.6
72.08131	2.7
73.62906	2.3
75.88466	2.2
77.46441	1.9
79.05498	18.5
79.67780	2.1
81.03391	3.2
81.07053	47.4
81.07510	3.7
81.78892	2.2
83.04974	11.3
83.08636	11.7
85.06538	2.2
87.04443	3.1
88.07636	3.0
88.97494	2.0
91.05482	15.7
93.07039	33.8
95.04965	8.0
95.08606	20.1
97.06531	6.2
97.10160	4.0
98.22755	4.8
98.98466	100.0
99.08103	3.1
101.06039	2.8
105.07035	9.2
107.08611	13.1
109.06535	3.7
109.10155	39.1
111.08095	6.2
111.11672	2.4
116.99525	2.9
117.07029	3.9
119.08583	9.9
121.10137	10.7
123.08035	2.3
123.11736	4.0
125.09647	5.0
126.99786	2.0
129.07054	2.1
131.08575	6.2
133.10117	10.4
135.11702	9.0
137.09579	4.0
139.11150	10.2
140.01128	2.2
140.10678	3.6
140.14334	3.0
141.12769	2.7
147.11678	3.8
149.13284	10.5
151.11230	2.6
153.28471	2.1
155.10687	8.5
157.10083	2.3
159.11665	6.3
161.13237	4.7
163.11145	2.5
165.86736	2.1
173.11736	55.4
174.99211	5.6
176.98962	8.4
177.12810	3.5
189.11246	3.0
195.13809	17.3
200.67188	2.3
211.13341	4.8
240.13872	2.2
256.26413	2.8
259.20782	3.3
268.30121	2.5
277.21640	26.0
295.22647	12.2
330.29929	19.4
330.33456	11.6
331.18793	6.9
331.30328	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56606	1.9
53.03936	3.5
55.01869	8.8
55.05513	41.7
57.03438	19.4
57.07082	13.1
59.04995	3.5
65.03907	2.7
67.05505	100.0
67.05867	4.8
69.03426	7.2
69.07066	38.7
69.93870	4.4
70.06582	8.7
71.04974	7.7
71.08620	9.5
79.05491	36.7
81.03403	8.3
81.07059	98.8
83.04974	13.3
83.08622	28.2
85.06546	5.4
85.10172	2.8
87.04470	11.7
88.07628	9.4
91.05486	27.2
93.07040	41.1
95.04974	15.3
95.08604	41.7
97.06527	9.9
97.10184	13.1
98.23450	4.1
98.98470	92.3
99.08083	3.7
101.06018	36.2
102.09150	4.8
104.99232	5.2
105.07028	17.2
107.08612	23.2
109.06509	5.1
109.10162	51.0
111.08094	12.3
111.11707	4.2
117.06982	4.6
119.08605	20.6
121.06615	2.4
121.10182	14.4
123.08066	4.9
123.11695	21.0
125.09690	12.8
129.06976	4.2
131.08569	3.6
133.10124	14.4
135.08089	4.1
135.11690	7.2
136.24698	2.4
137.09596	8.0
137.13239	2.7
139.11189	14.7
141.12743	3.2
142.07756	2.7
145.10216	2.8
147.11699	10.6
149.13261	8.0
153.09125	4.3
153.12758	5.8
155.10652	28.7
160.23064	2.5
161.13234	8.4
163.14810	2.4
165.12810	3.6
173.11749	49.2
173.13191	2.9
174.99239	4.7
175.11082	3.7
175.14879	5.4
176.98903	5.5
179.14360	3.2
189.11211	8.5
193.12225	7.7
209.74716	2.7
211.13263	9.7
221.15428	2.9
226.10670	2.5
231.21085	5.5
241.19376	4.9
242.98033	2.4
249.22240	2.7
256.26352	17.4
259.20587	6.6
277.21628	49.9
294.24347	4.8
295.22665	38.6
330.30038	49.1
330.33829	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01872	4.6
55.05514	36.6
57.07074	1.5
57.87829	1.4
67.05509	16.2
67.66763	1.2
69.03436	5.5
69.07069	5.8
69.10226	7.3
69.10625	1.8
71.08627	5.8
79.05499	9.8
79.29404	1.6
81.03432	2.2
81.07051	13.6
83.04995	3.5
83.08626	27.2
85.06545	1.8
87.04452	2.0
91.05496	3.9
93.07030	7.1
95.08609	3.3
97.10174	63.7
97.36593	1.2
98.22682	2.3
98.98472	61.3
99.08102	5.3
104.99262	3.2
105.07041	2.1
107.08603	17.2
109.06516	2.0
109.10179	4.3
111.08120	2.6
116.99506	1.4
117.07021	1.6
121.10145	1.8
124.00986	1.2
125.09632	53.7
126.33381	1.3
133.10144	1.6
135.08060	3.1
135.11693	1.6
143.10632	2.2
147.11720	2.1
151.11194	4.0
153.09131	4.3
161.13271	2.0
166.90331	1.1
171.10181	9.7
171.11487	1.9
174.99257	4.1
176.98953	5.6
179.14354	1.4
189.11223	100.0
190.11618	2.7
226.40086	1.5
241.19484	2.9
248.96585	1.6
259.20593	2.8
262.19916	1.4
277.21634	47.7
278.21945	4.2
295.22665	13.7
330.19516	4.8
330.30057	2.7
330.33670	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	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01876	2.9
55.05509	20.6
57.03442	6.8
57.07077	8.3
61.83287	1.7
65.03935	1.5
67.05505	45.4
67.24203	1.5
69.03447	2.6
69.07070	18.3
70.14627	4.0
71.04996	4.1
71.08634	3.5
79.05494	23.3
81.03432	4.2
81.07060	38.0
83.04979	10.4
83.08629	14.1
83.17725	1.5
84.04511	2.3
85.06542	2.9
87.04488	3.5
88.07640	3.8
91.05480	18.5
92.34731	1.6
93.07047	27.3
95.04947	8.4
95.08600	21.3
97.06577	4.1
97.10184	6.3
98.98472	100.0
99.08102	4.3
100.11289	3.1
100.98946	1.6
101.06023	6.0
104.99274	4.8
105.07037	10.1
107.08587	10.7
109.10152	15.5
111.08114	2.9
112.67997	1.6
116.98576	2.6
116.99478	3.0
117.07026	3.3
119.08585	8.4
121.10131	9.7
123.11712	4.5
125.09637	4.3
129.07065	1.6
131.08562	4.4
133.10165	9.8
135.11696	8.9
137.09604	3.7
139.11174	15.3
145.10115	3.1
147.11710	5.6
149.13344	7.6
151.11179	5.3
155.10661	2.7
157.10069	2.5
159.11752	4.7
161.13293	4.9
163.14899	2.3
165.12717	2.2
173.11784	9.7
174.99219	5.4
175.11127	1.7
176.98935	7.5
177.12744	1.9
179.14323	2.6
185.13316	1.9
189.11255	2.6
193.12251	3.0
195.13776	11.8
207.13940	2.0
211.13271	3.4
241.19460	1.9
256.26471	2.0
259.20718	1.9
268.29944	3.2
277.21677	22.9
295.22723	15.4
330.29987	12.7
330.33710	11.9
348.03726	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	3,5,7-Trihydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
50.74183	0.3
67.05531	0.3
69.21147	0.6
69.21542	1.6
81.07056	0.4
83.05034	0.3
85.02916	0.6
91.05489	0.5
93.07065	0.4
98.98465	34.2
100.98916	0.6
105.07052	0.3
106.60368	0.3
107.08589	1.0
109.10157	0.4
109.74985	0.3
111.08090	0.5
112.83212	0.3
116.99527	0.9
123.11707	0.7
137.06003	0.4
151.07541	0.4
151.11194	0.7
163.07755	0.3
167.03389	0.6
169.12241	1.3
173.54480	0.3
174.99216	1.4
176.98912	3.6
215.07033	0.3
231.06606	0.4
232.07413	0.3
241.04898	0.4
242.05721	0.8
245.04453	23.6
246.04811	1.0
252.99706	0.6
261.45163	0.3
273.03928	15.2
274.04214	1.2
285.07907	0.3
287.05392	0.6
288.06277	33.8
289.06577	2.2
301.03305	1.8
302.03702	0.3
316.05765	100.0
317.06067	6.4
331.08096	98.2
332.08475	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69983	1.4
55.01866	3.5
56.28477	1.3
57.03431	3.7
58.03728	1.2
59.92212	1.1
61.02931	2.4
63.78055	1.4
65.03934	2.4
69.03409	3.5
69.57141	5.4
70.03741	1.2
71.00186	1.2
73.51105	1.2
75.27173	1.3
79.05482	3.3
81.03403	2.9
81.07038	2.0
85.02901	13.1
86.03227	2.0
87.03314	1.5
91.05493	3.2
93.03397	2.8
95.04941	1.3
98.98471	100.0
100.98875	2.8
103.03960	2.8
103.05414	1.7
111.04421	2.0
116.99415	1.3
119.04898	4.1
123.04383	1.8
123.09132	3.7
125.05981	3.6
131.04956	6.3
132.05283	1.8
133.02863	8.0
133.05501	2.3
134.03200	2.0
135.03357	2.4
135.04367	2.5
138.03137	1.6
147.04422	6.8
148.04735	1.9
149.04936	2.4
150.03110	5.1
151.03932	8.4
152.03799	1.4
153.04395	2.3
153.05473	1.9
155.05978	1.8
159.04434	9.5
160.04810	2.9
161.04984	4.1
162.03067	3.7
163.03850	4.5
165.05473	3.0
166.02502	2.0
168.03023	1.5
169.04965	8.5
169.08553	2.9
169.09854	2.4
174.99257	3.8
175.03999	6.9
176.04611	3.3
176.98920	6.1
177.01865	8.7
177.04245	2.1
177.05573	2.6
178.02283	5.5
178.05397	2.4
179.02080	9.1
179.05937	3.6
180.03601	2.3
181.05046	26.7
182.01027	1.8
182.05376	8.4
183.05476	20.7
187.03894	6.3
189.04362	3.0
190.02692	1.9
191.03403	8.7
191.07082	2.2
192.03758	5.9
193.03777	8.4
193.05016	12.1
194.05247	2.9
195.02823	5.3
195.05492	8.4
196.02992	5.3
197.03416	7.3
198.04787	5.4
199.04990	9.0
202.02711	1.5
205.05025	12.2
206.05020	6.1
207.02695	2.5
207.05313	10.2
208.02902	2.6
209.04428	8.6
209.07080	2.8
210.04762	8.2
211.04723	18.3
214.02617	1.8
215.03438	2.7
216.03926	2.9
217.04103	2.4
218.04924	1.6
219.03134	1.6
219.06477	4.5
220.12112	1.4
221.04416	6.1
221.07072	8.0
222.04713	4.3
223.02602	2.4
223.04950	13.6
225.02827	4.3
225.06602	3.8
229.04784	2.4
232.02856	2.1
233.04552	8.9
234.04601	4.2
235.04773	14.6
237.06578	5.0
239.04466	2.1
242.79277	1.5
245.04512	2.7
247.06120	18.5
248.06187	3.8
249.06551	17.8
250.06758	1.7
251.05389	6.2
252.05785	3.8
252.99800	1.6
253.05977	17.0
254.99519	1.4
257.04501	3.2
259.05441	4.7
263.05615	8.8
264.05789	4.4
265.05984	31.4
269.47125	1.7
275.05493	5.3
277.06024	26.1
278.06168	1.4
283.06985	5.2
285.04031	4.2
293.06482	2.6
295.07123	13.0
313.08160	7.1
331.04611	1.5
331.08282	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	331.1024
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01867	5.1
57.03428	5.3
58.59267	1.6
61.02906	2.9
65.03931	1.6
68.99785	2.7
69.03425	4.9
70.02052	3.5
74.69119	1.4
77.03941	1.7
79.05479	4.0
85.02904	19.9
86.03204	2.0
91.05482	4.8
95.04961	2.7
97.02885	3.8
98.98466	100.0
103.03951	7.5
103.05465	2.9
105.07014	2.7
107.04993	1.8
109.02884	6.7
109.23656	1.4
119.04941	5.5
121.02898	3.2
123.04418	6.9
125.05997	5.9
127.03912	5.4
131.04874	3.4
133.02808	8.5
133.06516	2.2
134.03140	2.7
135.03441	3.6
135.04401	17.5
137.05995	2.1
138.03151	1.7
139.03850	2.4
140.07008	2.5
145.06470	1.8
145.65472	1.6
147.04396	10.5
149.02386	1.7
149.04922	2.4
150.03139	4.4
151.03030	1.6
151.03929	19.4
152.03587	1.8
152.26512	1.5
153.01871	2.1
153.04555	1.6
153.05492	14.8
159.04398	6.6
160.04816	3.6
161.02338	1.8
161.04840	2.7
161.06004	5.4
162.03047	2.5
162.49260	1.5
163.03885	12.4
164.04341	1.8
165.05464	8.4
165.63751	1.6
167.03305	1.9
169.03638	2.6
169.04974	23.5
174.99181	5.6
175.03877	10.1
176.04446	2.7
176.98950	11.2
177.01794	6.9
177.05502	3.5
178.02324	5.6
178.05455	3.4
179.02338	6.1
179.05885	2.4
180.03105	2.8
181.04997	43.7
182.05359	7.9
183.05518	15.7
187.03922	7.9
188.04271	2.4
189.02034	1.6
189.05489	7.1
190.04990	4.3
191.03384	8.5
192.03702	2.9
193.05051	56.5
194.05214	6.2
195.02895	3.7
195.05453	3.9
196.02919	2.0
197.03363	6.6
198.04837	3.5
199.05060	7.7
204.03984	1.9
205.04974	16.4
206.05093	7.1
207.02939	2.1
207.05208	3.7
207.06839	14.5
209.04605	10.7
210.04773	6.0
211.05969	29.5
216.04057	1.9
217.04712	2.9
218.05521	1.4
219.02873	2.1
219.06723	8.2
220.06775	2.4
221.04346	6.8
221.07031	7.3
222.04729	3.8
223.02846	2.4
223.04785	10.7
225.02942	3.2
229.04973	12.0
231.06537	1.9
233.04448	8.1
234.04553	3.4
235.06134	47.3
236.06439	2.7
237.06506	4.2
241.05023	3.4
247.06056	52.5
248.06276	6.5
249.06552	14.9
251.05392	4.9
252.05772	3.8
253.06036	17.1
259.06046	22.2
260.05695	1.8
263.05484	5.6
265.06024	21.1
266.06580	1.5
275.05426	5.4
277.06400	19.7
283.07120	3.9
293.06323	2.3
295.07312	14.1
313.08316	4.9
336.34253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05513	0.7
58.23404	0.4
58.99585	0.7
65.03956	0.5
67.05513	2.4
68.05018	0.6
69.03432	0.4
69.07068	5.9
69.78598	1.5
76.02242	1.0
77.03941	0.4
79.05484	1.3
80.05009	0.8
81.07056	3.5
83.06095	0.9
84.04504	0.7
87.02692	0.9
87.04433	1.0
89.03870	0.5
91.05466	0.6
93.03396	0.7
94.06570	16.8
95.04972	3.1
95.06900	0.7
95.08594	0.9
96.04510	0.6
97.06515	0.9
98.06046	0.6
98.23418	0.6
98.98469	31.5
99.08070	0.6
100.98954	0.7
106.00918	0.4
108.08112	1.6
110.06038	3.8
112.03926	0.4
112.07611	2.9
116.04986	2.2
116.99459	0.6
118.06570	0.5
120.04424	0.4
122.06034	34.5
123.04413	1.9
123.06361	0.9
129.06587	2.2
134.05980	0.6
135.72289	0.5
140.07063	51.7
141.07845	2.2
142.08643	1.2
144.04443	7.0
146.06013	25.4
148.03920	0.5
148.06467	0.7
148.07578	8.6
151.04007	0.4
156.08398	1.4
157.06822	0.9
162.05502	3.1
163.07510	0.5
164.06998	0.6
172.03935	22.9
173.04341	0.8
174.05508	2.0
174.09445	1.0
174.99234	1.1
176.98872	3.4
185.38881	0.5
190.04991	100.0
191.05357	3.7
192.06544	10.1
192.10132	0.6
210.11243	0.7
233.05957	0.5
242.11931	0.5
254.99599	0.6
258.05597	0.5
270.11276	0.5
285.04092	0.5
285.12354	0.5
286.10715	1.8
313.11859	4.2
315.04889	1.6
331.08176	5.5
331.13144	16.4
332.13428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
55.05757	0.5
57.37475	0.4
58.99559	0.6
65.03943	0.6
67.05509	2.7
68.05000	1.2
69.07067	5.8
69.57780	1.4
75.91296	0.4
76.02193	1.2
77.03894	0.4
79.05451	1.9
80.04996	1.4
81.07066	3.3
83.06079	1.0
84.04472	0.5
85.02892	0.9
86.99043	0.5
87.02679	1.0
89.03953	0.5
91.05434	0.6
93.05802	0.7
94.06564	19.6
95.04962	2.5
95.06810	0.5
95.08567	0.5
96.04454	0.5
97.06507	0.8
98.98464	32.9
100.98846	0.9
105.06998	0.5
106.06501	0.6
108.08098	1.9
108.51611	0.4
110.06029	4.4
112.07610	3.8
116.04981	3.4
118.06496	0.8
120.08070	0.7
122.06025	36.9
123.04382	1.2
123.06350	0.8
124.07581	0.5
129.06564	2.0
134.05974	1.2
140.07057	47.2
141.07880	2.5
142.08615	1.4
144.04443	9.4
146.06007	24.2
147.06619	0.7
148.07559	8.3
151.03932	0.5
154.08707	0.6
156.08418	1.0
157.06715	0.7
162.05482	4.5
163.06294	0.5
164.07053	0.6
172.03934	25.1
174.05463	2.1
174.09497	0.8
174.99220	1.3
176.98912	3.5
179.03461	0.5
187.14412	0.5
190.04985	100.0
191.05347	4.2
192.06548	9.6
233.05794	0.8
242.11613	0.9
243.10202	0.6
247.46223	0.4
252.99878	0.7
286.10675	2.1
307.97916	1.3
313.11823	4.5
315.04950	1.1
331.08298	3.1
331.13419	22.7
332.13696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39489	0.4
57.03436	0.9
57.07049	0.6
61.02927	0.5
67.05511	1.0
69.03425	1.2
69.15231	0.6
69.15646	1.6
71.04993	0.7
79.05503	0.9
81.03417	0.6
81.07058	1.2
83.04968	0.5
85.02914	4.0
91.05482	1.1
93.07041	1.2
95.08607	1.4
97.02914	1.5
98.98469	49.4
99.04459	0.6
100.98867	1.2
105.07039	1.5
107.08591	1.3
109.02859	0.5
109.06523	0.8
109.10170	1.1
116.66682	0.5
116.99484	0.5
122.99249	0.4
123.08084	1.1
123.11732	0.6
124.48243	0.4
127.03887	1.0
133.10139	1.5
135.11684	0.7
136.90456	0.4
137.05980	0.4
145.05067	0.4
151.03952	0.5
151.07445	0.8
151.11189	1.9
153.12796	0.6
163.03876	0.6
169.08369	9.7
169.09802	0.9
169.12236	5.8
174.99246	2.4
176.98904	4.1
185.04222	7.5
203.05278	4.4
252.99825	0.7
254.99460	0.5
286.01440	0.4
307.97763	0.5
331.13617	100.0
332.14090	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	331.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01874	1.3
55.05507	3.7
57.03440	1.2
57.07072	0.5
65.03945	0.4
67.05506	3.4
69.03425	4.4
69.07082	1.8
69.31505	1.3
69.31908	0.7
69.53040	0.3
71.04994	4.6
77.03913	0.7
78.04616	0.3
79.05491	9.6
81.03416	1.0
81.07055	23.9
82.07395	0.6
83.04988	2.5
85.06541	1.1
91.05476	5.4
93.07040	22.6
94.07381	0.5
95.04978	2.5
95.08602	2.3
97.06523	2.4
98.97820	0.7
98.98465	13.6
99.04458	6.2
101.06024	0.6
105.07027	30.2
106.07342	1.0
106.74986	0.3
107.04977	1.0
107.08591	25.7
108.08928	0.8
109.06526	3.4
109.10120	0.4
109.48735	0.3
111.08047	0.9
113.06012	1.0
115.05389	0.4
117.07010	2.9
119.08573	9.3
121.06499	11.9
121.10143	24.4
122.06759	0.4
122.10474	0.9
123.08068	0.8
127.07583	2.0
129.06940	0.4
130.07782	1.9
131.08566	1.4
133.10175	0.6
135.08066	4.3
135.11687	10.5
139.07510	1.1
139.11223	0.4
143.08537	1.1
145.10117	31.0
146.10457	1.1
147.08099	0.5
147.11674	2.7
149.05930	0.8
149.09624	2.1
151.07565	0.9
153.12772	0.5
155.08508	0.3
158.07164	0.4
163.11172	100.0
164.11505	3.6
167.10657	0.7
169.08594	1.1
173.09631	3.4
176.98882	0.7
181.12230	10.8
182.12610	0.6
191.10658	32.3
192.10934	1.6
209.11716	45.4
210.12073	2.2
227.12776	10.2
227.14992	0.7
228.13181	0.6
241.95299	0.3
252.15375	0.4
331.11453	0.4
337.67227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11777	0.2
57.03426	0.4
61.02920	0.7
69.03437	1.9
69.04567	0.2
70.49049	0.3
73.02924	0.3
78.03436	0.3
79.05458	0.3
80.05036	0.4
80.75300	0.2
81.03422	0.8
81.04532	0.8
82.06589	0.4
83.00431	0.2
83.06110	3.0
85.02903	4.9
87.04439	0.3
89.44054	0.2
91.03944	0.4
92.04996	1.2
93.04538	0.2
95.06094	0.9
96.04488	0.9
97.02889	1.9
98.22798	0.2
98.98463	10.1
108.06860	0.6
109.02850	0.5
110.06034	0.7
117.85925	0.2
117.91138	0.3
119.06062	3.8
121.07597	1.3
123.05557	3.6
123.08128	0.3
123.09185	6.2
127.03912	0.8
136.06334	0.3
145.04987	0.8
151.08661	100.0
152.08130	0.2
152.09038	2.9
169.09723	23.9
170.10091	0.9
174.99150	0.3
176.98950	0.9
252.99788	0.3
331.08200	0.6
331.14319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
63.02056	0.9
65.03956	1.2
69.03441	1.3
69.23863	5.6
71.48663	0.9
79.05504	2.0
81.07051	3.3
91.05476	26.9
94.04192	2.6
95.04970	6.7
98.98467	49.8
100.98918	1.6
103.05506	2.8
105.07035	5.0
107.04964	5.6
109.06521	3.2
109.10202	1.3
111.04520	0.9
115.05489	3.8
117.07032	2.0
119.04942	16.5
119.08589	1.3
121.06460	4.9
122.03622	5.1
123.04425	1.0
123.08090	1.2
128.06236	4.5
129.07014	13.3
131.04930	4.5
131.08618	1.3
133.06511	2.9
135.08078	4.6
136.05186	2.9
137.05975	76.7
138.06296	2.2
143.04897	1.2
145.06505	3.2
146.03630	1.6
148.05223	1.1
149.05983	11.7
150.06769	2.5
151.03937	3.6
151.07538	100.0
152.06229	3.6
152.07907	3.4
153.06995	1.9
154.07755	1.0
155.06062	1.4
157.06470	9.5
161.05942	11.2
161.09616	2.5
163.07547	18.9
165.06979	11.1
165.09056	4.8
166.07751	2.4
167.08549	15.7
169.06502	1.5
172.08846	1.1
174.06770	6.3
175.07510	4.4
176.98955	5.3
177.07048	2.3
177.09084	2.8
178.07791	6.2
179.08572	1.4
181.06519	2.9
181.10123	1.5
182.07294	4.8
183.08054	1.1
184.08786	1.0
189.09099	34.4
190.09496	1.9
191.10612	1.3
192.09435	1.3
193.06540	8.1
193.08286	1.2
193.10083	7.6
194.07236	2.7
195.08041	24.4
196.08664	2.1
197.05995	4.1
197.09607	2.1
199.11116	1.3
202.07791	1.0
203.08624	1.5
206.07373	1.2
207.08339	1.7
207.10219	4.4
209.06009	2.2
209.09610	4.0
210.06801	7.8
211.07541	4.3
212.08369	5.5
220.08701	1.6
221.06096	8.5
221.09615	11.1
222.06688	1.1
223.07550	11.1
224.08377	3.2
225.05522	1.9
225.09067	8.6
227.07059	3.5
227.10648	27.7
228.10979	2.5
235.07672	1.8
237.09059	2.7
238.06281	4.5
238.09793	1.7
239.07001	2.3
240.07780	2.6
241.08560	2.1
241.12160	2.2
249.09070	6.6
250.09677	1.0
252.07793	3.3
253.08606	14.0
253.12251	16.4
254.09059	1.6
255.06396	1.8
255.07039	1.7
255.10147	32.9
256.10507	2.5
267.10330	5.3
269.08109	3.7
269.11841	3.2
270.08740	1.9
272.10437	3.3
281.11670	7.1
284.10635	1.5
285.11215	19.0
286.11218	1.3
287.12759	56.3
288.13126	3.9
298.12009	1.1
299.12668	1.7
301.14276	1.8
307.97824	1.5
310.25650	1.0
313.14371	16.6
314.14670	1.6
331.11700	3.9
331.15491	5.8
331.20657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11670	0.9
61.11904	0.9
67.99744	1.0
75.19266	0.9
79.05487	2.7
81.07047	2.4
91.05477	25.4
93.07003	1.2
94.04173	3.1
95.04968	5.4
95.08649	1.2
97.37775	1.1
98.98463	98.4
100.98878	2.5
103.05441	5.7
105.07026	4.2
107.04971	7.2
109.06525	2.9
111.04430	1.2
115.05405	1.3
116.99514	1.4
117.07024	2.1
119.04944	20.4
120.08096	1.5
121.06493	7.9
122.03645	6.0
128.06232	3.7
129.06990	13.9
131.04936	5.4
131.08585	2.1
133.06519	2.3
134.03670	1.1
135.04477	1.2
135.08044	5.6
136.05214	3.0
137.05969	78.6
138.06284	2.0
139.07590	1.3
141.07008	1.3
143.04900	1.4
145.06473	3.9
146.03491	1.1
147.04410	1.4
147.08046	1.6
149.05969	14.1
151.03897	3.8
151.07535	100.0
152.06219	3.8
152.07898	2.7
153.06973	1.6
157.06493	11.7
161.05986	11.6
161.09645	3.1
163.07533	18.8
165.06953	10.8
165.09088	4.9
166.07761	3.1
167.07123	2.3
167.08519	16.3
168.05661	1.5
169.06442	1.8
174.06752	5.6
174.99225	4.4
175.07556	3.2
176.98857	8.6
177.06990	3.0
177.09120	2.1
178.07784	6.2
179.08536	2.2
180.37561	0.9
181.05099	1.2
181.06465	6.1
181.10175	1.5
182.07248	3.4
183.08060	2.2
184.08748	1.8
189.09064	31.1
189.10571	1.9
190.09453	2.1
192.09381	1.4
193.06502	7.9
193.10130	7.1
194.07272	2.4
195.08044	21.8
196.08574	2.2
197.05991	4.4
197.09633	1.7
198.06671	1.1
199.07570	1.4
202.07834	1.5
203.08566	2.7
205.06499	2.3
206.07219	1.7
207.08249	1.6
207.10161	6.0
209.05942	2.3
209.09564	6.0
210.06798	8.4
210.10457	1.1
211.07509	4.8
212.08319	4.5
213.09297	1.2
221.06004	7.5
221.09566	11.7
222.06717	1.3
222.10184	1.3
223.07510	9.1
224.08223	5.0
225.09071	10.2
226.06375	1.1
227.07014	3.3
227.10648	27.8
228.11057	1.3
234.06764	1.2
235.07527	2.2
237.09071	2.6
238.06242	4.3
238.10031	1.4
239.07047	2.5
239.10591	1.1
240.07820	3.8
241.08612	2.5
241.12215	1.9
242.09102	1.4
249.09074	6.2
251.06989	1.3
252.07762	2.6
253.08583	14.9
253.12230	15.1
254.12602	1.3
255.06392	1.4
255.07047	1.5
255.10141	29.8
256.10635	2.6
267.10220	5.7
269.08124	3.4
269.11533	2.8
270.09091	1.9
272.10376	3.5
273.07416	1.1
281.11679	7.2
284.10574	1.6
285.11234	18.0
286.11423	1.9
287.12738	52.6
288.13174	2.9
298.12170	1.5
299.12869	1.2
301.14395	2.0
307.97797	2.0
313.14325	14.0
328.68793	1.1
331.08383	2.5
331.11783	8.4
331.15411	6.7
331.18866	1.3
338.04495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93573	0.4
52.31694	0.4
55.01878	0.5
55.05508	0.9
60.04551	0.4
67.05483	1.2
69.03413	0.7
69.07076	1.1
70.06587	1.9
71.04993	0.9
72.08150	1.0
72.98354	0.5
75.72240	0.5
79.05486	1.1
81.03403	0.6
81.07063	1.4
83.04986	0.6
83.08586	0.6
84.08891	0.4
85.02900	1.5
86.06050	0.5
86.09728	0.7
87.04482	0.5
93.07054	0.8
94.06562	1.5
95.04945	0.6
95.08623	0.4
95.93809	0.5
97.02875	0.5
98.06034	0.5
98.98468	79.0
99.04472	0.6
100.98895	1.8
101.59374	0.5
105.07078	0.6
107.08622	0.7
108.08121	0.6
109.02924	0.6
116.07090	1.5
116.38323	0.5
116.99500	1.0
122.06052	2.2
123.08034	0.8
124.07574	0.9
133.06477	0.9
135.08020	0.5
137.05962	0.9
140.07069	4.9
144.04468	0.9
146.05991	1.6
148.07489	0.6
149.06018	1.1
151.07564	0.7
151.11183	0.6
156.06981	0.4
168.59943	0.5
169.12192	0.5
172.03944	1.9
174.99232	4.6
176.98914	5.9
177.05423	0.9
179.03419	0.6
181.04953	0.6
189.09131	0.7
190.04987	7.7
192.06624	0.7
203.05278	0.5
252.99730	1.5
254.99376	0.8
259.05933	0.8
287.13901	0.7
288.17953	0.7
289.11871	0.4
313.11847	1.2
314.19794	0.7
315.04095	0.5
331.04288	1.6
331.17255	100.0
332.13931	0.5
332.17575	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	331.1751
Annotation	Boschniaside
Peak:m/z	Relative Intensity
53.03944	1.5
55.01867	1.3
55.05518	1.6
57.03432	2.6
57.07061	2.3
61.02930	3.0
67.05494	4.3
69.03430	8.0
69.07066	9.8
70.06579	2.1
70.52610	0.5
71.04995	8.2
71.69398	0.6
73.02915	1.5
73.06543	3.2
79.05492	2.0
81.03416	4.2
81.07059	11.9
83.08630	0.7
83.47530	0.6
85.02901	23.3
85.08096	0.6
86.03249	1.0
86.09702	0.9
87.04465	1.8
91.03957	1.2
91.05492	2.0
93.07037	2.0
95.04957	2.1
95.08614	2.9
97.02901	6.3
97.06528	9.1
98.06051	1.1
98.98466	100.0
99.04453	2.3
100.98872	3.1
105.07037	2.2
107.08604	2.5
109.02869	3.3
109.06503	1.8
109.10150	6.2
111.08044	0.9
113.06001	0.7
116.07077	0.8
116.99513	2.9
121.06526	0.8
121.10210	0.8
123.08089	0.9
123.11713	24.4
124.12048	1.2
127.03912	7.9
131.08582	0.9
133.10124	2.0
135.08073	1.2
136.03967	5.2
137.04289	6.1
137.05977	2.7
140.01085	0.7
145.04965	5.0
147.54607	0.7
149.06090	0.8
151.11183	12.8
153.12698	4.1
158.11794	0.8
163.07495	0.8
165.72273	0.8
168.06624	2.7
168.10239	1.2
169.06935	3.9
169.08148	0.7
169.12241	12.8
173.13245	1.0
174.99197	5.2
176.98914	10.0
179.03424	1.0
183.08067	1.0
194.11771	1.8
252.99748	2.4
254.99467	0.9
267.11127	1.2
313.21887	1.1
316.09027	1.3
331.04932	4.3
331.08237	1.6
331.12128	4.0
331.17358	3.6
332.22241	5.9
352.99271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2244
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
55.05505	1.6
61.35904	1.3
68.34679	1.3
69.56776	5.5
74.30766	1.2
98.97561	2.1
98.98464	36.9
104.99270	1.5
116.98576	1.7
137.05951	3.7
174.99208	2.4
176.98930	2.0
179.32971	1.5
188.52069	1.4
257.42908	1.4
331.22433	100.0
331.33987	2.6
332.22781	5.2
332.33078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.227
Annotation	methyl phomopsenoate
Peak:m/z	Relative Intensity
51.05399	1.7
55.05515	9.8
56.05025	3.0
57.07087	11.3
62.16339	1.7
62.36842	1.7
67.05508	20.5
69.07069	10.8
71.04990	2.8
71.08631	4.1
74.06075	5.6
79.05492	11.6
81.07064	13.5
83.08614	5.5
88.07633	18.3
89.07980	6.1
90.08253	1.5
91.05482	13.8
91.66717	1.6
93.07039	13.2
95.04964	2.6
95.08604	18.2
97.10209	1.9
98.97638	4.1
98.98470	100.0
99.04463	7.6
104.99284	6.9
105.07056	5.4
107.04961	3.1
107.08620	5.2
109.06520	3.3
109.10168	6.4
115.05447	2.4
116.37290	1.5
116.98678	3.1
117.07030	5.7
119.08568	4.8
120.47816	1.5
121.06510	5.8
121.10165	4.5
123.08112	2.7
124.05196	2.1
125.05982	2.0
128.06224	3.8
129.06999	7.3
131.08543	9.0
133.06503	2.9
135.08073	3.2
135.11728	2.8
137.06000	11.6
139.07545	29.6
141.07013	4.2
143.08566	5.1
145.06500	6.4
145.10126	3.9
147.08054	6.2
149.05981	1.9
150.06816	1.9
151.07552	19.1
153.05460	6.0
153.06999	1.7
155.07307	1.9
155.08572	7.2
157.06531	3.3
157.10075	2.1
158.07291	8.0
159.08049	11.1
159.11687	1.8
161.05946	8.6
161.09631	5.1
163.07526	4.4
165.09113	3.8
167.07047	82.4
168.07358	2.2
169.10185	6.0
169.49117	1.5
171.08035	2.5
171.11784	2.0
172.08865	3.5
173.06035	2.9
173.09630	11.5
174.06624	2.3
174.99202	4.0
175.07559	22.3
176.08301	3.3
176.98924	9.2
177.09134	11.0
177.16444	6.1
178.06209	2.0
179.07045	2.1
181.08612	2.6
182.53152	1.6
183.08040	3.9
183.11710	6.7
185.09622	3.9
186.06776	3.5
187.07523	8.0
187.11235	5.2
188.08315	4.2
189.09109	14.1
189.12743	2.8
191.06953	8.0
191.10704	6.5
192.07765	2.9
193.08592	18.1
194.08954	2.5
197.09662	3.4
197.13348	2.2
199.07481	3.7
199.11217	2.0
200.08305	3.4
201.09123	26.9
201.12828	4.8
203.10748	3.5
204.41919	1.9
205.08624	20.3
205.12259	6.1
207.10144	11.5
211.11205	2.7
213.09134	5.0
214.09923	5.3
215.10701	16.9
216.11090	1.6
217.08670	1.8
217.12238	5.9
219.10197	8.7
227.10695	3.0
227.14401	2.1
228.11452	5.1
229.12216	15.8
231.13849	3.4
233.11755	21.4
235.13196	2.2
241.12256	1.8
243.11513	2.4
243.13779	10.2
247.13312	4.9
249.14786	2.5
253.19467	3.2
261.14868	6.4
262.52097	1.7
262.98056	1.8
263.16479	2.0
271.20581	7.6
271.28314	5.0
278.78772	1.8
281.19025	4.5
284.91605	2.2
285.22137	9.2
296.15845	1.8
299.20053	15.0
303.23190	17.0
313.21643	34.4
314.22009	2.4
331.04474	2.0
331.22705	78.6
331.30322	32.6
331.33905	2.4
332.23071	7.3
332.31387	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	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05518	10.8
56.05855	1.4
57.03437	7.2
57.07077	100.0
58.06588	2.3
59.62865	1.4
61.33949	1.5
67.05505	24.6
68.02023	1.3
69.07068	15.3
70.06604	3.3
71.08633	72.2
72.73560	1.2
75.04469	4.0
79.05489	2.0
79.36926	1.8
81.07055	36.7
83.08617	28.3
84.59583	1.6
85.09692	2.9
85.10182	40.6
88.07625	5.8
91.05481	3.9
93.07037	2.1
95.08605	53.5
95.09224	2.9
96.08916	1.7
97.10162	12.8
98.98466	23.4
99.11723	3.0
106.08643	4.3
109.10147	26.7
111.11723	4.1
113.44585	1.6
114.63924	1.5
123.11713	11.8
125.13282	3.6
137.13249	6.1
151.14848	2.4
162.93486	1.7
165.16357	2.4
176.98972	1.5
221.22676	2.2
239.23682	27.0
240.24043	1.6
257.24771	7.0
274.77200	1.5
298.27585	1.3
313.27371	72.8
313.33035	3.6
314.27707	6.4
318.47992	1.5
331.19025	2.0
331.33997	49.6
332.33490	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	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05511	12.6
57.03444	6.9
57.07078	100.0
58.07404	1.5
67.05507	24.6
68.62115	0.7
68.73992	0.6
69.07072	19.1
70.06618	1.9
71.05017	0.6
71.08633	72.2
72.08952	1.2
73.06560	0.6
75.04488	4.8
79.05486	1.6
81.07059	35.2
82.07370	1.2
83.08624	27.5
84.08959	1.0
85.06572	1.0
85.10186	41.8
86.10532	1.2
88.07633	1.4
89.06042	1.5
91.05479	1.5
93.07055	2.1
95.08608	53.1
96.08952	1.5
97.10168	12.2
97.10737	0.9
97.46442	0.6
98.97642	1.1
98.98466	15.2
99.08101	0.8
99.11733	3.4
102.09176	0.8
103.07610	1.5
104.99287	0.9
106.08663	0.7
107.08607	0.8
109.10160	28.4
110.10459	0.9
111.11717	3.8
113.13297	1.5
116.98665	0.7
123.11700	12.7
125.13255	3.0
137.05954	9.7
137.06816	0.9
137.13264	5.5
139.14841	1.6
151.14844	2.7
165.16457	1.6
174.99252	0.9
176.98941	1.9
177.09183	2.2
185.55898	0.6
221.22739	3.2
238.57607	0.6
239.23692	27.1
240.24139	1.6
248.60094	0.7
257.24756	6.8
283.76196	0.6
284.91513	0.9
298.27686	0.8
313.27368	66.9
314.27777	4.3
331.23087	0.9
331.26318	3.5
331.33978	15.7
331.37659	0.9
332.33972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05508	12.2
57.03445	6.7
57.07075	100.0
58.07403	2.7
67.05504	22.8
67.49145	1.0
68.05841	1.2
69.07067	19.1
70.06589	6.9
71.05016	1.0
71.06925	1.7
71.08630	77.5
72.08954	1.1
75.04465	2.8
79.05470	1.3
81.07053	35.4
83.08617	26.1
84.08896	1.3
85.10181	39.5
88.07633	9.4
89.06006	1.1
89.07956	1.6
91.05490	2.3
93.07037	2.2
95.08604	58.4
96.08962	1.9
97.10159	12.7
98.97605	2.7
98.98464	29.4
99.11737	3.1
100.98885	1.4
102.09147	2.3
103.09508	1.7
104.99279	2.1
106.08692	5.5
109.10149	25.1
111.04433	1.1
111.11719	4.4
116.98618	2.5
117.21138	1.2
123.11692	12.7
125.13273	2.5
137.05965	3.7
137.13248	5.4
138.64523	1.0
139.14812	1.0
151.14828	3.4
157.45079	1.0
165.16315	1.1
174.99278	1.1
176.98932	2.8
221.22609	4.0
239.23698	27.4
240.24109	2.0
257.24911	7.1
284.91440	1.7
307.92169	1.8
313.27353	71.3
313.33017	4.5
314.27798	4.4
331.22672	2.1
331.33972	80.6
332.33774	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	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.42440	0.4
61.02919	1.5
62.37644	0.5
69.03427	2.6
69.07065	0.8
71.33851	0.5
72.08199	0.7
73.02929	0.6
79.05487	3.1
81.03412	1.6
81.07050	1.0
84.04520	0.7
85.02902	10.4
86.09687	0.8
91.03947	0.8
93.07056	0.7
94.06558	0.9
95.04962	2.5
95.06875	0.5
95.08640	0.5
97.02884	2.1
98.98469	9.5
99.04433	0.6
99.08060	0.5
105.07016	0.7
107.04953	100.0
108.05280	2.1
108.08097	1.2
109.02869	0.9
117.07000	0.6
122.06018	1.5
123.06356	0.8
127.03912	1.7
135.04413	22.9
135.08060	2.6
140.07126	2.2
141.07393	1.2
143.82532	0.4
144.04460	0.4
144.73259	0.5
145.04955	1.8
146.06018	1.3
147.06389	0.6
149.76855	0.5
152.07004	0.7
153.05467	63.4
153.12720	0.5
154.05820	1.7
160.06128	0.6
172.03873	0.8
173.04475	0.5
173.12836	0.5
174.99043	0.5
176.98923	1.1
177.99304	0.5
184.39578	0.4
190.05009	2.9
191.05333	3.2
191.08081	0.5
223.07616	0.6
234.09865	0.5
240.10190	0.8
269.08060	1.0
282.56067	0.5
286.10767	1.2
314.11520	0.8
316.05289	0.7
332.08301	3.2
332.13602	1.9
332.17096	1.5
333.15186	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	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99580	2.4
67.05499	2.7
69.03423	3.2
69.07057	2.3
70.06596	2.5
71.04989	2.6
72.08162	4.5
74.06094	2.8
76.02219	3.1
77.16127	1.7
79.05493	6.7
80.05838	2.5
81.07062	18.1
82.07397	9.0
83.04982	2.8
83.06091	4.2
84.04514	4.6
85.02925	3.9
86.06076	9.9
86.09693	2.6
87.04485	7.4
93.07050	5.2
93.26550	1.6
94.06561	2.8
95.04983	5.3
98.06053	20.6
98.98473	38.4
104.07154	1.9
106.07365	1.7
107.08607	2.1
108.08139	2.7
111.04407	2.7
112.07635	2.7
113.34863	1.6
118.06562	2.1
119.07307	4.8
121.02876	2.3
121.10178	2.3
122.06043	4.1
123.04434	6.0
124.07574	2.4
126.05529	3.4
129.06578	4.3
130.06538	2.9
135.04414	100.0
135.08025	2.5
136.04771	1.9
136.06168	2.7
139.03903	4.0
140.07111	3.6
141.07466	1.7
146.06056	3.5
148.07637	1.9
149.09625	4.9
151.03877	10.0
153.05460	31.6
153.06630	1.8
156.08476	1.8
165.01791	1.9
167.03387	9.8
171.10118	1.8
173.12880	2.7
176.98886	2.7
179.07022	4.1
180.03828	2.3
181.04980	7.0
183.06593	3.1
190.04996	4.4
191.05412	5.7
193.01349	7.5
218.80231	2.2
223.07588	4.7
227.06953	1.9
234.06059	2.3
234.09885	2.0
240.10242	4.9
252.15944	11.9
269.08014	2.2
273.07584	2.6
286.10773	7.3
288.18048	31.9
303.09097	1.9
314.12067	2.8
314.19635	11.6
315.08673	3.4
332.08203	3.0
332.13400	16.3
332.17136	5.2
332.20233	9.8
333.06152	4.8
333.15247	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	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89948	1.6
52.70741	1.5
55.01873	2.0
57.03432	5.6
59.81152	1.6
61.02932	9.6
69.03436	15.9
69.69486	3.2
69.69846	3.1
71.04985	2.6
72.08116	1.5
73.02914	4.1
81.03403	9.5
85.02905	100.0
87.04462	3.3
91.03961	7.6
97.02892	29.7
97.16236	1.4
98.22776	2.9
98.42495	1.7
98.98473	14.1
99.04450	4.9
103.03914	2.5
107.04954	33.6
108.08109	4.3
109.02869	11.9
123.04446	1.7
127.03911	24.5
131.65050	1.6
135.04427	5.9
145.04962	40.3
152.07054	3.1
153.05475	18.8
154.53017	1.7
162.37354	1.9
163.05998	8.8
170.08136	7.8
173.05946	2.0
176.98924	2.4
180.08658	17.5
182.63622	1.5
183.73366	2.0
209.42845	1.3
214.34143	1.4
219.06493	5.5
297.09625	2.5
332.13556	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03956	0.6
57.03438	1.2
61.02924	1.8
63.73420	0.4
65.03923	0.7
67.05510	3.0
69.03426	6.5
71.16286	0.6
73.02922	1.4
79.05499	1.0
81.03423	2.0
81.07050	0.7
85.02910	7.4
85.42609	0.5
87.04476	1.7
95.64425	0.6
96.08161	0.5
97.02910	3.0
98.98464	3.7
99.04481	0.6
106.06556	4.9
108.08123	100.0
109.02912	1.5
109.08468	2.5
117.31796	0.5
123.06816	4.4
124.07596	13.5
125.02381	0.7
127.03896	2.9
134.06020	9.5
136.07579	13.2
137.08162	0.5
145.04913	0.9
152.07071	65.9
153.01790	1.1
153.07440	1.3
154.08650	1.7
170.08147	7.7
171.02904	2.4
212.60838	0.5
231.07774	0.5
257.45547	0.5
314.12332	36.8
315.12689	1.9
332.13406	68.8
333.13885	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	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
61.02915	2.3
62.23792	0.5
65.03924	0.7
67.05501	2.3
69.03430	7.0
71.04991	1.0
71.45732	0.5
73.02912	2.2
79.05488	0.8
81.03416	3.3
81.07047	0.9
85.02898	9.7
87.04455	2.4
87.39330	0.5
91.03938	0.6
93.05769	1.0
96.08173	0.8
97.02895	3.6
98.98478	3.5
99.04453	1.2
101.02415	0.5
104.10728	2.4
106.06570	4.4
107.01290	0.7
108.08116	100.0
109.02905	2.6
109.08458	1.6
116.98665	0.5
123.06805	4.0
124.07594	15.2
124.40970	0.6
125.02328	1.2
127.03917	3.9
134.06012	11.4
135.27119	0.5
136.07578	14.3
137.04704	0.5
145.04941	1.3
152.07062	71.5
153.01862	3.0
153.07433	2.0
154.08638	1.4
161.03169	0.6
170.08112	14.3
171.02847	5.0
231.86935	0.5
256.45291	0.5
314.12329	39.0
315.12576	1.6
332.13382	74.0
333.13962	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	332.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03433	3.7
59.04978	0.4
60.65911	0.3
61.02899	0.5
69.03410	1.0
69.61274	1.2
69.61601	0.4
71.01333	1.1
73.02897	1.5
74.63017	0.3
80.05003	0.9
85.02888	2.3
87.04408	0.4
97.02883	0.6
98.98466	7.8
107.06041	0.4
115.03938	0.8
121.05127	1.6
133.04936	1.1
146.07146	0.4
152.07034	0.4
156.05534	0.4
158.05928	0.4
159.06682	2.1
165.97731	0.4
173.08243	2.0
176.98888	0.7
183.06676	1.4
185.06992	0.6
200.09309	100.0
201.09668	3.2
212.09415	0.4
242.10562	0.4
255.66869	0.3
258.71295	0.4
292.45007	0.4
332.13519	17.8
333.13943	0.7
333.20544	0.6
335.07104	0.4
341.35104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01867	1.3
55.05505	4.8
56.05027	2.7
57.03429	0.8
57.07065	2.2
60.04500	0.6
61.93629	0.7
67.05502	6.0
68.05015	0.7
69.03429	3.9
69.07079	3.1
70.06596	2.9
71.04988	2.8
72.04545	0.7
72.08140	0.8
75.90453	0.6
79.05491	5.4
80.05017	1.2
81.03409	5.3
81.07056	9.3
82.06604	1.1
83.04984	2.6
83.08612	3.0
84.04510	5.5
84.08142	1.4
85.02901	2.5
85.06553	1.2
86.06062	24.1
86.09704	0.8
87.04463	20.6
87.08109	6.6
88.04011	0.9
91.05496	3.3
93.07053	6.8
94.06577	1.3
95.04951	2.8
95.08606	5.6
96.08110	0.8
97.02884	1.2
97.06534	4.8
97.10187	0.7
98.06056	12.0
98.98466	18.8
99.04404	0.9
99.08089	1.1
100.11246	1.0
102.05519	2.5
104.07104	18.7
105.06998	3.5
107.08604	4.2
108.08118	1.1
109.06506	0.8
109.10126	1.8
110.06065	0.8
111.04458	1.6
111.08059	0.9
112.07593	6.9
117.07025	1.2
118.03925	0.7
119.08578	3.4
121.10142	2.7
122.10455	0.8
123.08070	1.0
123.11604	0.8
124.07610	3.7
125.05983	0.8
126.05521	1.9
126.09132	1.0
131.08589	3.3
133.10143	2.8
135.08084	1.2
135.11673	1.9
137.05989	1.2
138.09166	1.0
138.12773	1.4
139.11104	0.9
140.07069	2.1
140.32278	0.6
142.08624	2.1
145.10095	0.8
147.07959	1.0
147.11670	2.8
148.07523	0.7
149.09613	9.7
149.13274	0.7
151.11191	1.1
152.06995	1.3
153.05418	0.9
153.06752	0.6
156.06540	1.6
157.10114	1.6
158.08130	4.4
158.11781	1.1
165.12714	1.6
166.12263	1.1
167.07062	1.2
167.10648	0.9
169.08652	1.0
175.11230	1.8
176.98898	1.8
177.12790	1.0
179.07063	1.6
181.12212	0.7
182.15395	2.2
184.13309	2.4
193.12228	4.5
195.13876	1.6
206.15341	0.7
207.06496	4.5
210.14905	6.8
211.13315	10.2
212.16420	2.1
216.08791	1.2
224.16411	1.1
228.15990	2.0
234.14867	0.8
250.18050	1.6
252.15976	2.1
260.07550	0.8
260.16373	0.8
270.17032	8.9
271.17520	0.6
273.61841	0.7
278.17575	3.5
286.16397	0.8
288.17996	7.5
296.18390	4.2
300.14362	1.6
314.19598	100.0
315.19934	5.4
328.90134	0.9
332.13431	1.4
332.17096	6.5
332.20642	3.6
332.24292	3.3
333.13965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
54.65303	0.9
68.20576	0.9
70.57901	0.9
70.77407	1.2
71.40200	0.9
77.03964	2.8
77.94901	1.0
81.07050	2.1
87.04483	1.6
89.06039	50.5
90.06360	1.9
91.05483	15.3
93.07050	32.2
93.07606	2.2
95.04977	12.9
95.08611	1.4
98.22692	2.3
98.98471	22.1
100.98875	1.4
103.05461	8.8
105.04526	6.4
107.07101	1.5
119.04966	3.5
119.08600	3.7
121.06514	100.0
122.06857	3.4
132.10207	1.1
133.08612	31.0
136.06200	5.9
137.05992	1.3
147.08064	5.1
149.09598	1.6
165.09122	31.5
166.09512	1.8
175.92120	1.1
176.98955	2.5
177.11192	5.2
209.11752	17.3
213.78937	1.2
227.12839	2.3
234.13557	4.5
315.18036	44.7
316.18298	2.5
318.04019	1.4
332.22153	3.2
333.06125	2.0
333.13339	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	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.9
56.05036	11.7
57.07074	9.8
58.06602	6.0
60.04527	2.5
67.05508	5.7
69.07053	5.1
69.47423	5.1
71.08622	4.6
74.06084	9.9
75.05675	1.2
79.05479	3.1
81.07070	6.6
84.14846	1.0
85.10178	1.8
86.06069	1.9
88.07634	33.5
91.05460	3.6
93.07021	1.7
95.04962	1.6
95.08598	6.2
95.65312	1.1
95.66078	1.2
96.08931	2.1
97.10143	1.5
98.97600	1.3
98.97858	1.2
98.98454	9.5
105.03402	1.4
109.10171	2.8
117.07056	1.3
117.41025	1.3
118.08678	7.0
121.10138	1.3
122.08170	6.0
123.04424	2.4
124.87564	1.2
133.06505	1.2
137.05983	2.8
138.06352	1.2
139.07530	2.5
140.07834	2.6
140.54828	1.1
141.05505	1.7
149.05980	2.7
151.07510	3.2
153.05478	2.5
161.05972	2.3
165.09093	3.9
166.09465	2.4
167.07048	10.5
168.07381	5.5
169.04999	8.8
175.07506	2.7
176.07867	1.6
177.09097	1.7
178.09485	1.6
179.07014	2.0
188.11569	1.3
190.09383	1.9
191.10690	2.0
193.08630	3.8
194.08884	1.3
195.06381	1.3
201.09155	1.4
202.09499	2.9
206.08830	1.3
207.10080	1.7
209.08058	1.2
215.10379	1.6
216.10931	1.7
234.12068	2.0
273.18475	1.6
283.16830	1.4
284.29480	32.7
285.29868	2.1
286.22592	1.9
300.20279	3.1
304.23557	2.9
304.89667	1.5
305.21136	2.5
314.21921	5.8
314.30569	2.1
315.19455	2.6
332.23080	15.9
332.31570	100.0
333.16916	1.5
333.20316	11.8
333.31815	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0606
Annotation	Quercetagetin 3-methyl ether
Peak:m/z	Relative Intensity
50.65329	0.3
60.53867	0.3
61.64540	0.3
67.05489	0.4
67.82421	0.4
68.99780	0.4
69.07048	0.4
70.78561	0.6
71.04975	0.5
77.83796	0.3
79.05438	0.7
80.02610	0.5
81.03375	0.9
81.07011	1.4
83.01301	0.4
85.02897	0.8
91.05461	0.6
93.06999	1.6
95.08572	0.9
97.02883	0.4
97.06507	0.4
98.97844	0.4
98.98471	7.0
100.98850	0.6
105.07006	0.8
107.08582	1.9
108.02061	1.3
109.02885	3.5
109.10113	0.8
111.04417	0.6
124.07550	1.4
126.03105	0.6
135.11659	1.3
137.02278	1.5
137.05103	0.3
137.05994	3.7
138.03035	0.5
143.08513	0.3
146.05936	0.5
147.04424	0.4
147.07967	0.3
149.05942	0.4
151.03824	0.6
153.01836	10.8
153.12750	4.3
163.03830	0.6
163.07515	1.3
165.01816	0.5
166.02544	0.8
167.03394	0.6
167.07028	1.9
171.13765	0.6
175.07640	0.3
176.98882	1.0
177.09070	1.5
179.03391	0.9
188.04527	0.4
190.05028	1.7
191.03404	0.4
191.06949	0.4
195.11958	0.3
196.29184	0.3
205.04971	2.3
206.05779	2.8
207.02879	0.4
208.03697	4.0
208.05739	0.7
210.01654	0.5
216.04117	1.2
217.04935	1.7
218.02095	0.5
219.02879	17.0
220.03447	1.1
231.13747	0.4
232.03633	0.7
233.02240	0.6
233.04451	8.2
234.05205	3.1
243.02936	2.4
244.03665	5.7
245.04427	3.5
247.02380	1.2
247.04767	0.5
261.03995	4.3
262.04642	1.3
272.03146	0.9
273.03879	1.7
289.03442	4.8
290.04175	7.0
290.06796	0.3
299.83093	0.3
300.02563	0.5
301.03448	7.0
301.59631	0.3
315.19495	0.9
318.03668	58.5
319.04047	3.5
333.06018	100.0
334.06409	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	333.0604
Annotation	Laricitrin
Peak:m/z	Relative Intensity
51.91945	0.2
57.82844	0.2
65.03953	0.3
67.05534	0.2
68.99784	1.5
69.03410	0.4
69.21256	0.2
69.26064	0.9
71.46476	0.2
80.02637	0.3
81.03408	0.3
81.07024	0.3
83.01337	0.2
85.02887	0.3
91.05486	0.3
93.03407	0.4
93.07043	0.5
95.04987	0.3
95.08664	0.3
98.73669	0.2
98.98457	2.2
105.07063	0.2
107.08597	0.4
108.02087	0.5
109.02849	1.9
109.10120	0.3
111.00798	2.0
111.04465	0.3
119.08556	0.3
121.02864	0.5
121.06506	0.3
123.04402	0.4
124.07587	0.2
126.03161	0.3
131.08658	0.2
133.10103	0.3
135.11691	0.5
136.01520	0.2
137.02344	1.6
137.05969	1.3
138.03088	0.6
139.02866	0.3
139.03896	3.9
140.04755	0.3
145.10088	0.2
149.02310	0.3
151.03944	0.3
152.01001	0.5
153.01814	12.5
153.12749	0.5
154.02168	0.3
161.05952	0.5
163.03925	0.3
163.07541	0.6
165.01836	3.3
166.02585	0.9
167.03401	2.8
167.07014	0.7
171.04343	0.3
176.99010	0.2
177.09111	1.5
179.03427	1.0
183.02866	0.8
185.05898	0.2
188.04517	0.3
189.05461	0.8
191.10635	0.3
192.04486	0.2
193.01285	0.2
193.04973	1.1
195.02789	0.2
199.03903	0.5
203.03426	0.6
205.04944	0.7
206.05771	0.9
207.02946	0.3
208.03644	1.6
210.01534	0.4
213.05399	0.3
213.12682	0.3
216.04205	1.1
217.04951	5.0
218.05351	0.3
218.61226	0.2
219.02869	6.6
220.03447	0.4
221.04497	0.2
227.03362	0.4
231.02907	0.4
231.13724	0.4
233.04427	3.3
234.01585	0.4
234.05148	0.9
241.05011	0.6
243.02826	1.3
244.03688	3.8
245.04428	7.1
246.04861	0.2
247.02377	0.6
255.02829	0.6
259.03256	0.2
259.05948	1.3
261.03915	2.1
262.04617	0.6
272.03174	0.9
273.03912	5.8
277.07071	2.0
287.05515	1.9
289.03424	4.0
290.04193	2.8
300.02567	0.6
301.03412	10.1
302.03699	0.7
304.05737	1.0
315.05032	0.6
315.19629	0.4
317.03036	0.4
318.03674	16.7
319.03961	0.9
333.06015	100.0
334.06354	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	333.0605
Annotation	Crombenin
Peak:m/z	Relative Intensity
53.03938	0.6
55.01857	0.9
65.03941	4.3
67.01851	0.7
68.99797	2.3
69.03420	0.5
69.27005	1.8
71.04978	0.5
72.08168	0.3
79.01845	0.6
79.05492	0.4
80.32592	0.4
81.03407	2.3
81.07037	0.4
83.04979	0.6
91.05476	0.5
93.03393	1.3
97.02864	0.7
98.98472	5.0
100.98897	0.5
103.46832	0.3
108.02120	0.3
109.02882	4.7
111.04453	4.1
114.95020	0.4
115.05456	0.5
119.01303	1.1
119.04915	0.8
121.02870	19.4
121.03955	2.6
122.03246	0.6
124.01561	1.7
125.02317	0.4
127.03920	0.4
137.02354	1.8
139.03865	0.7
147.00742	1.1
147.04407	4.4
149.02330	1.5
152.01022	3.0
158.03679	0.4
160.05347	0.4
163.04010	0.4
165.01837	22.6
167.03394	100.0
168.03740	2.7
170.02112	2.1
176.98892	0.6
185.04443	1.1
187.03899	0.8
188.07056	0.9
188.17613	0.4
193.01324	92.8
194.01604	2.7
196.49496	0.4
199.03917	0.6
201.05553	0.5
204.10213	1.6
213.01842	0.5
217.04906	0.9
219.06540	0.4
245.04405	5.2
248.39902	0.4
287.05481	4.0
317.18661	0.6
321.57843	0.4
333.06021	39.7
334.06430	2.5
334.21271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94473	3.4
57.26393	2.9
65.17061	3.1
69.03382	3.4
80.30343	3.1
81.03413	6.8
83.05012	2.9
85.02898	4.2
91.05455	5.3
93.07037	7.0
95.04987	3.8
98.97533	5.7
98.98462	100.0
100.98856	6.0
107.04961	6.1
107.08563	3.7
114.09184	4.3
137.05969	11.4
139.03874	6.5
141.01614	3.1
147.04431	16.8
153.01855	4.0
153.05443	3.9
153.12773	4.8
158.04234	2.9
163.03914	3.6
165.05472	7.6
165.09158	5.5
176.98906	14.1
179.06927	4.3
181.04935	4.5
183.10139	10.8
204.10271	8.0
216.62622	3.2
333.09412	61.8
333.15033	18.6
334.21194	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	333.1181
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
56.49763	1.2
61.02903	1.3
65.03944	9.2
67.05484	1.8
68.99782	4.3
69.03434	3.9
69.82401	4.2
81.03415	2.7
81.61230	1.2
83.04967	6.1
85.02898	9.4
90.96439	1.3
93.03396	6.7
97.02934	2.7
98.22746	2.7
98.98482	9.7
104.88808	1.3
108.08115	2.1
109.02889	1.7
109.08464	2.7
111.04451	45.8
121.03979	4.7
127.03874	2.4
137.02348	2.1
137.05956	4.1
139.03902	99.4
153.07414	1.7
155.03395	2.4
171.06529	100.0
172.06836	2.9
172.09708	1.9
176.98940	2.3
250.80333	1.4
333.11337	1.6
333.15237	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	333.118
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.03945	1.7
55.01875	2.4
55.05509	1.2
57.03444	3.8
61.02931	4.8
65.03939	10.7
67.05490	0.8
68.99793	2.2
69.03431	12.2
70.74022	1.3
71.04995	1.6
73.02921	1.8
79.05473	0.8
81.03423	5.7
82.06596	2.0
83.04993	4.9
85.02907	42.8
86.03251	0.8
87.04476	0.7
91.03924	1.0
93.03412	7.0
96.02187	0.7
97.02894	11.2
98.97533	0.7
98.98454	8.7
99.04465	1.6
100.98883	0.8
101.02351	0.7
107.04969	1.1
109.02881	5.5
109.08422	0.6
110.73036	0.9
111.04446	41.5
121.04000	6.3
126.03114	0.9
127.03918	7.5
137.02380	0.9
139.03902	100.0
140.04243	2.8
141.01799	1.2
141.05484	1.0
145.04939	5.0
153.06610	4.7
156.04184	4.6
163.03906	0.9
169.04956	1.9
171.06526	95.6
172.06934	3.7
172.08147	0.6
176.98814	0.8
183.06514	1.7
202.63420	0.7
207.06488	1.9
222.05357	0.9
237.07503	1.1
261.07556	0.9
333.07889	1.6
333.11462	1.0
333.15222	3.9
353.48834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.6
65.03933	0.9
66.37774	0.3
67.05506	0.4
68.99756	0.3
69.03417	1.2
69.57079	0.4
69.57455	0.5
73.02891	0.3
81.03423	0.5
82.06583	0.5
83.04971	0.6
85.02901	3.8
93.03361	0.5
97.02899	1.4
98.97546	0.6
98.98459	9.3
99.04418	0.5
100.98896	1.0
107.04964	0.4
108.08093	1.0
109.02879	0.6
109.08450	0.6
111.04430	4.2
115.20300	0.3
122.03659	1.0
122.84335	0.3
127.03923	1.2
128.84874	0.3
137.02345	0.9
137.05971	15.6
137.54294	0.3
139.03893	7.5
145.04903	0.6
152.06979	0.3
153.06493	0.8
155.03395	0.8
156.04131	0.4
171.06512	7.2
171.09932	0.4
172.06781	0.4
176.98943	1.0
185.04103	0.4
214.02264	0.4
280.12576	0.7
298.13623	0.7
315.12711	0.4
333.11780	5.2
333.15164	100.0
334.15521	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	333.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05504	0.7
81.07074	0.6
84.08108	0.5
85.02884	0.9
86.03250	0.7
91.05441	1.0
95.04983	0.6
98.98466	17.9
100.98905	0.7
107.04980	4.7
108.05278	4.6
112.11246	0.7
114.09176	2.6
119.04903	2.8
135.04379	2.3
136.04733	2.7
137.05986	1.0
137.07973	0.5
139.03909	0.7
147.04398	15.5
151.03891	0.6
153.01811	0.9
153.05453	2.1
153.09096	0.8
154.05836	3.1
163.03882	0.6
165.05455	0.6
171.09927	2.1
171.14951	1.0
176.98888	2.0
188.17615	4.6
201.44945	0.5
204.10205	6.7
317.18445	2.4
333.15164	100.0
334.15540	5.4
334.21274	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38075	0.4
56.96514	29.3
57.07038	0.6
57.88459	0.4
68.23432	0.4
69.07039	0.5
71.95201	3.1
72.95987	1.2
72.96380	0.3
74.97559	0.6
79.05426	0.6
81.06990	0.5
84.95981	1.4
84.96436	0.4
86.97488	0.4
88.07603	0.6
92.98575	0.4
97.45816	0.4
97.96796	8.0
97.99127	0.5
98.97527	1.7
98.98410	1.7
99.98268	0.4
105.00184	1.8
105.07004	0.5
110.97573	16.3
111.98360	0.5
115.97839	3.5
116.98539	0.7
123.01114	1.6
124.99079	0.5
128.98605	18.5
129.02191	0.4
129.99345	0.7
131.00050	0.8
133.98813	1.4
134.18504	0.5
137.02661	1.4
138.99355	0.5
140.98427	0.9
141.02182	0.6
143.00157	2.4
146.99649	9.1
148.00250	0.4
149.01204	0.4
151.00636	0.4
151.04240	0.8
152.00102	1.6
153.02188	0.5
154.99962	0.8
155.03720	0.9
157.01704	0.6
161.01170	2.7
165.00648	1.0
165.05730	0.7
165.12614	0.8
166.99997	0.5
167.03746	0.6
169.01668	1.0
170.01205	1.1
171.03218	1.7
174.99031	0.5
175.02730	1.2
175.04199	0.5
176.03516	1.2
177.02039	0.5
177.04430	0.5
177.05937	0.5
179.02118	0.5
181.05263	0.5
185.04788	1.4
189.00575	0.6
189.04311	2.1
189.05771	0.4
190.05104	2.0
193.03836	0.5
195.06918	0.6
199.06348	0.6
203.05829	2.0
205.05200	0.5
205.07304	0.5
207.06854	0.5
208.06154	1.1
209.04849	0.6
209.06657	0.4
209.08482	0.6
211.06377	0.5
217.07402	0.7
221.04962	0.5
221.08566	0.5
222.07651	0.4
223.10210	0.5
225.08098	0.9
226.08771	1.1
227.09496	1.2
231.08865	0.5
235.06371	0.6
240.10379	0.5
241.11017	1.6
243.09067	0.7
245.08453	1.1
245.10660	0.9
247.10225	0.4
252.10381	1.0
259.12082	1.1
261.07736	0.5
263.09531	5.3
264.10187	1.4
265.11133	2.0
270.11325	0.6
277.11093	1.3
281.10504	1.1
282.11340	0.7
283.11893	0.5
285.11716	0.7
289.11102	0.9
291.12418	0.9
303.12604	3.3
313.14685	1.1
315.16293	72.3
316.16577	4.5
321.13553	0.7
331.15808	3.3
332.31622	1.2
333.17337	100.0
334.17715	7.1
334.27133	0.5
349.16812	0.5
351.18411	16.1
352.18713	1.2
356.18979	19.0
357.19086	2.0
359.18790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.01865	10.0
55.05512	20.2
57.03432	15.9
57.07072	12.9
59.04995	4.7
61.02913	10.3
67.05493	10.7
67.78583	4.0
69.03427	21.4
69.07057	19.1
71.04984	38.0
73.02924	4.6
76.06916	3.0
79.05478	17.8
81.03411	8.6
81.07059	37.8
83.04971	12.9
83.08615	7.6
85.02899	72.4
86.03217	3.6
91.05486	26.8
93.07047	60.3
95.04962	8.8
95.08610	33.0
97.02898	20.7
97.06519	16.3
98.98463	77.0
99.04457	6.0
100.98901	6.9
101.02332	3.3
103.03934	3.7
104.35638	3.5
105.07042	28.2
107.04971	4.3
107.08583	57.5
108.08956	3.6
109.02871	5.3
109.06544	12.9
109.10141	28.6
111.04448	20.6
111.08032	3.8
115.03878	6.2
117.07027	10.2
119.04939	4.6
119.08591	36.9
121.06499	6.9
121.10144	6.5
123.04436	5.0
123.08038	6.5
125.06009	3.9
125.13277	3.4
127.03907	10.2
129.07031	5.1
130.07762	3.5
131.08603	15.0
133.04970	7.2
133.10167	5.0
135.08018	3.6
135.11684	50.2
136.12015	4.1
137.05971	28.2
137.13257	7.1
139.03882	6.5
143.08534	11.5
145.04985	8.8
145.06416	5.1
145.10161	17.9
147.04414	15.4
147.08037	26.4
147.11690	6.6
149.09625	3.2
151.07512	4.6
153.01909	5.0
153.05449	13.3
153.12738	100.0
154.04976	5.9
154.13153	3.4
155.08505	4.1
159.08023	9.0
159.11708	5.4
161.09647	3.7
161.13274	3.8
163.03902	4.9
163.06137	3.7
163.07552	10.5
163.11230	3.5
165.05489	3.8
165.12776	24.1
167.07062	4.8
171.08066	8.4
171.11665	4.3
171.13745	6.8
173.09654	17.2
173.13274	5.1
175.07484	5.9
175.11163	3.4
176.98946	10.7
177.05415	3.6
177.09111	22.2
177.12787	8.6
179.10806	4.0
183.07918	3.0
183.11758	6.1
189.09105	5.1
189.12717	8.6
191.10602	8.7
193.08571	6.5
201.08986	2.9
204.10168	6.7
207.13826	5.4
219.13870	4.4
231.13771	9.0
243.13727	5.4
261.14896	8.0
261.57858	3.4
272.03162	4.9
279.15976	8.8
297.16925	8.6
300.02591	12.1
315.17828	19.1
318.03668	17.2
333.00595	5.6
333.06097	29.9
333.20322	8.4
334.06693	3.5
334.21136	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	333.1905
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03940	1.0
53.20580	1.0
54.43040	1.0
55.01872	1.5
55.05511	2.3
57.03432	1.6
61.02915	2.0
67.01853	1.3
67.05505	5.1
69.03423	4.8
69.07083	5.4
69.16734	3.0
69.17149	3.1
71.04994	1.6
73.02904	1.4
79.05481	6.3
81.03419	2.6
81.07053	7.7
83.04984	1.9
85.02905	24.7
91.03976	1.4
91.05468	7.6
93.07043	54.3
93.19119	1.2
95.08609	27.2
97.02897	6.5
97.06547	2.2
98.98463	13.3
99.04448	2.4
100.98882	1.4
105.04470	1.3
105.07034	3.5
107.04901	1.4
107.08593	89.5
108.08950	1.6
109.02892	2.0
109.06522	1.9
109.10184	5.0
119.04910	1.3
119.08543	1.5
121.10148	1.4
123.04408	1.1
127.03928	5.0
129.07080	1.5
131.08591	2.8
135.11694	100.0
136.12064	2.1
137.05984	9.8
137.64876	1.1
143.08543	1.0
145.05003	5.2
147.04474	1.3
149.05988	2.6
149.09637	3.5
151.03954	1.3
151.07550	1.8
153.01854	10.4
153.12743	80.4
154.13077	2.5
163.06146	2.5
163.07544	3.0
167.07033	2.3
167.10678	1.9
171.02965	2.3
171.13812	27.2
175.03862	2.5
176.99054	1.3
177.09100	6.5
179.03433	4.0
179.07056	1.5
195.10190	4.4
207.06570	3.7
213.11136	2.9
231.13760	1.2
269.19012	1.3
273.26727	1.2
315.19525	3.3
333.06094	1.3
333.09698	2.7
333.20599	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	333.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
55.05508	16.4
57.03424	12.1
57.07067	16.5
59.04988	8.8
61.02920	4.8
63.70978	2.5
66.78461	2.6
67.05492	12.8
69.03417	15.4
69.07066	22.7
71.01340	3.5
71.04993	19.0
71.46091	3.2
73.02914	8.0
79.05481	10.9
81.03431	6.8
81.07052	28.5
83.04969	2.8
83.08606	6.5
85.02901	47.1
85.06531	24.9
87.04462	8.3
88.74286	2.4
90.04206	3.0
91.05503	12.2
93.07043	29.7
95.04962	7.2
95.08591	23.1
97.02877	8.4
97.06549	4.1
97.10150	4.7
98.98451	39.7
100.98836	2.8
103.03922	4.0
105.07019	19.9
106.48154	2.6
107.08595	32.5
109.02866	6.5
109.06494	6.3
109.10155	14.9
111.08083	3.7
115.03945	4.0
117.07017	4.6
119.08596	20.8
121.06492	2.7
121.10159	3.2
123.08040	4.6
125.13304	3.4
127.03915	9.5
129.06966	3.8
131.08569	7.8
133.04982	10.9
133.06485	3.1
133.10071	3.7
135.11685	30.5
137.05974	5.8
137.13252	11.5
143.08553	6.0
145.04947	5.0
145.10080	9.1
147.08054	9.2
147.11684	4.8
149.09581	3.7
151.03865	3.0
153.01825	12.1
153.12738	40.0
154.13091	3.7
155.14293	4.0
159.11649	3.6
165.12747	30.9
167.06998	4.2
173.09592	9.6
176.98982	3.8
177.12733	7.5
189.12766	5.2
191.10541	2.9
217.04843	4.0
219.02875	18.5
219.13718	3.3
231.13799	3.0
233.04456	7.2
234.05237	3.7
240.08801	3.1
241.09807	3.4
243.13927	4.0
244.03677	7.7
245.04504	3.3
261.03995	4.2
261.14938	4.0
279.15817	6.0
283.10846	4.6
289.03433	4.8
290.04160	4.9
301.03271	4.7
301.11240	3.3
315.18066	9.5
318.03699	70.5
333.06039	100.0
333.14108	5.1
334.06256	8.4
334.23734	4.9
353.23871	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.34006	1.0
53.03951	1.1
55.01868	1.5
55.05511	3.7
57.03450	2.4
59.04997	2.9
60.99323	1.1
61.02924	4.0
62.93746	0.9
67.05495	3.7
69.03431	11.1
69.07077	5.3
69.64658	2.8
69.65006	2.3
71.04991	30.8
73.02930	1.8
73.06546	5.2
79.05492	8.8
81.03414	3.3
81.07057	34.6
83.05026	1.6
83.08607	2.0
85.02905	48.2
85.06539	2.9
87.04488	1.4
91.03944	1.9
91.05495	2.7
92.16666	1.0
93.07043	21.9
95.08622	4.2
95.41495	1.1
97.02896	10.0
97.06531	4.2
98.23442	1.2
98.98468	16.1
99.04476	1.8
105.07038	2.1
107.08600	18.4
109.02881	4.0
109.06519	1.8
109.10184	6.6
116.32703	1.3
121.06561	1.2
123.11722	12.0
127.03933	7.5
127.11221	4.0
129.06946	1.2
135.11693	39.0
137.05933	1.9
141.12738	54.6
145.04941	6.3
145.22749	1.3
147.04462	2.0
151.08643	1.4
151.11188	1.3
153.05457	1.8
153.12743	100.0
154.13087	3.0
171.13802	66.1
172.14159	2.6
176.98991	2.8
179.07014	5.8
207.06522	13.8
221.04459	2.1
241.82832	1.2
297.16953	1.6
324.60916	1.2
333.05954	1.6
333.09628	2.5
334.21017	1.9
341.15875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01864	7.2
55.05511	12.1
55.52311	2.4
57.03429	7.2
57.07069	6.8
59.04989	4.3
67.05505	7.3
69.03421	11.2
69.07063	13.9
71.04999	21.5
71.61419	2.3
73.02923	4.7
79.05480	9.2
80.92314	2.6
81.03405	8.2
81.07063	23.2
83.01331	4.2
83.08633	3.0
85.02904	40.8
88.14968	2.2
91.05472	14.0
93.03414	6.6
93.07046	21.8
95.04973	4.3
95.08606	11.3
97.02883	8.9
97.06538	5.2
98.98473	39.4
99.04487	2.9
100.98857	4.0
105.07019	18.7
106.88369	2.5
107.04949	4.0
107.08602	25.3
109.02888	10.4
109.06493	13.9
109.10160	10.0
111.04398	3.4
111.08108	4.2
114.37359	2.7
115.03929	3.0
115.05445	3.0
117.07057	4.7
119.04951	4.9
119.08594	17.0
121.02866	4.1
121.10146	2.7
123.08116	2.7
123.11766	3.1
127.03893	4.5
129.07013	3.6
131.04970	2.7
131.08580	9.0
133.05011	4.9
135.11699	22.1
137.05984	7.8
137.13272	3.6
141.12677	3.1
143.08578	4.7
145.04944	4.4
145.10126	10.4
147.04401	9.9
147.08057	11.5
147.11708	3.1
148.07578	6.1
149.09691	3.5
153.01897	3.1
153.05472	4.7
153.12741	66.9
155.08606	4.7
159.08058	7.4
161.06039	3.4
161.09560	4.8
161.13289	3.9
163.03899	4.7
163.07813	2.7
165.05472	14.2
165.12772	22.4
171.08063	4.4
171.13855	3.1
173.09621	13.6
173.13237	5.4
175.03944	8.0
175.07503	4.6
176.98940	6.8
177.05499	10.5
177.12715	9.1
183.08014	3.1
183.11621	3.8
185.05933	3.2
189.05415	2.7
189.12730	7.3
191.10634	3.7
192.04156	3.5
192.10149	7.1
193.04970	9.3
193.08607	3.2
199.07529	3.4
201.12871	3.6
203.03439	2.6
205.04951	15.0
207.13808	3.3
217.08441	3.0
219.13811	4.6
221.04456	100.0
222.04837	3.6
231.06544	6.8
231.13759	5.9
243.13623	3.3
245.08046	15.9
261.14859	6.7
269.15405	3.0
279.15967	6.3
287.16400	4.6
297.16980	8.4
312.07666	2.9
315.15649	7.7
315.18216	9.3
333.05832	3.4
333.17456	16.7
334.21277	6.2
342.77255	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	333.1908
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.05498	1.1
59.05000	2.9
67.05505	2.2
69.03438	1.4
69.07072	3.0
69.60918	3.7
69.78358	1.0
70.50384	1.1
71.04996	16.3
73.06561	5.6
79.05490	5.8
81.07061	22.4
83.08607	1.1
85.02926	3.0
87.29090	1.2
91.05481	2.5
93.07049	14.6
95.08613	3.8
97.06511	2.0
98.98448	3.3
105.07094	1.1
107.08604	12.2
109.10143	2.6
124.20292	1.0
135.10652	1.3
135.11696	26.2
138.20813	0.9
149.52972	1.0
153.01830	5.7
153.12746	100.0
154.13101	4.2
188.67841	1.1
194.87787	1.2
206.05775	2.1
208.03679	1.4
219.02872	8.0
233.04532	2.6
244.03674	2.8
245.04340	1.8
261.04068	1.6
284.28445	1.0
290.04166	3.0
301.03458	3.4
301.62485	1.0
301.66135	1.0
315.13419	1.7
318.03662	27.0
319.03940	2.8
333.06042	51.6
334.06387	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	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54025	2.5
55.01866	5.0
55.05504	7.1
57.03430	6.9
57.07062	5.3
61.02917	3.5
65.03934	6.4
67.05501	5.4
67.58519	2.6
69.03429	15.3
69.07060	11.9
69.14278	2.4
70.06622	3.0
71.04990	15.7
73.02908	4.7
75.53207	2.7
79.05485	7.3
81.03398	8.3
81.07051	20.1
84.08111	2.4
85.02903	36.8
87.04484	4.1
89.58418	2.8
91.05482	14.8
93.07043	22.2
95.04969	5.8
95.08624	12.8
96.04472	2.5
97.02863	9.2
97.06530	8.0
98.98466	70.5
100.98872	5.8
105.07035	14.9
107.04918	4.1
107.08585	19.2
109.02896	5.4
109.06488	7.7
109.10144	12.3
111.04449	6.9
112.11265	3.1
114.09149	11.2
115.03886	3.5
117.06975	5.5
118.17931	2.4
119.04959	17.9
119.08607	16.6
120.08087	3.6
121.02861	10.3
127.03890	4.9
129.06932	3.4
131.08542	5.3
133.04980	5.6
133.10129	4.0
135.11685	23.7
137.05933	4.6
137.13223	8.1
139.03899	3.0
141.12791	3.6
143.11835	3.4
145.04921	4.5
145.10123	8.2
146.19780	2.7
147.00795	3.1
147.04402	100.0
147.08054	7.2
147.11617	3.1
151.11153	4.3
153.01782	5.3
153.05486	4.2
153.09126	3.4
153.12730	39.4
155.08475	3.1
161.09589	2.9
163.03844	6.4
165.01854	12.6
165.05513	4.7
165.12714	20.2
167.03407	62.9
169.10126	2.7
171.14911	8.7
173.09570	6.0
176.98920	12.7
177.12663	3.4
179.10587	2.7
181.04962	5.4
188.17621	12.7
189.12762	3.4
191.10680	3.9
193.01315	38.0
204.10170	47.4
217.04810	2.8
219.13812	5.1
221.04533	2.8
245.04503	3.5
261.14883	4.6
263.68359	3.3
279.16003	6.4
287.05417	5.3
297.17191	4.9
315.18085	8.8
317.15283	2.5
317.18527	18.4
333.06033	45.9
333.09756	3.2
333.14230	2.9
334.06323	6.6
334.12906	3.2
334.21237	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.05505	3.2
59.04988	3.2
69.07047	3.1
70.77879	2.4
71.04991	19.8
73.06541	4.9
79.05491	6.2
81.03411	1.4
81.07057	30.3
82.90625	1.0
85.02889	3.0
85.61880	1.1
91.05471	2.0
93.07043	17.1
94.03228	1.1
95.08593	3.6
95.83733	1.0
97.06527	1.3
97.24992	1.5
97.77697	1.1
98.98461	7.5
107.08589	14.2
109.02860	3.5
109.10153	3.4
117.04343	1.1
128.94109	1.2
135.11687	29.2
136.11995	1.7
137.05939	2.3
153.01830	5.0
153.12738	100.0
154.13037	2.4
160.60768	1.0
167.07001	2.4
176.14339	1.6
176.98956	1.5
177.09105	1.3
206.05623	1.4
208.03635	1.9
211.35010	1.1
216.04208	1.2
219.02844	8.6
233.04419	3.4
234.05165	1.6
243.02936	1.8
244.03658	2.8
245.04437	1.8
261.03906	2.5
285.12347	1.9
289.03360	3.0
290.04211	3.5
301.03448	3.1
318.03674	29.7
319.04150	3.0
333.06024	51.3
333.14444	2.0
333.21527	3.0
334.06403	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47688	1.5
57.07073	2.6
58.06577	2.3
69.42997	3.0
69.43420	5.0
70.06612	1.7
74.06060	1.7
80.94821	2.4
83.69131	1.4
87.04409	2.2
88.07622	14.1
98.23437	2.8
98.98460	13.4
105.06946	1.7
132.10231	1.7
162.11256	1.5
193.05072	1.5
242.24696	8.5
245.99588	1.5
286.27356	2.6
333.16650	15.8
333.20319	100.0
333.31778	3.2
334.20758	7.4
334.29507	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03511	0.3
56.05018	0.5
57.07065	0.7
58.03515	0.3
58.06596	1.1
60.04500	0.4
70.07098	0.3
70.72671	0.5
74.06074	0.7
83.40726	0.3
86.06053	0.7
88.07632	3.8
98.98444	1.2
132.10184	0.7
143.81570	0.3
160.34560	0.3
160.54655	0.3
162.11168	0.5
182.18806	0.3
192.82069	0.3
237.37268	0.3
242.24785	4.7
286.27289	1.6
305.10016	0.4
315.19211	0.8
333.20331	100.0
334.20682	7.5
334.29471	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70436	0.8
81.94523	0.5
151.30768	0.5
195.09885	0.8
197.56169	0.5
206.76370	0.4
333.20352	100.0
334.20728	6.5
334.29367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62844	0.4
57.07049	0.4
71.60104	0.5
72.04497	0.5
78.45733	0.4
82.53298	0.3
93.07094	0.6
98.23550	0.5
98.98451	0.8
102.46771	0.3
123.04429	0.6
137.35268	0.4
165.12756	0.7
180.78766	0.4
263.12506	0.7
303.31500	0.4
333.20337	100.0
334.20697	8.2
334.27106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14326	0.2
67.64589	0.2
69.94360	0.9
71.78265	0.3
79.95426	0.2
83.62392	0.3
88.07625	0.7
103.91113	0.3
162.16528	0.3
195.09894	1.7
242.24820	0.9
333.20328	100.0
334.20663	6.9
334.29373	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04275	1.1
57.07070	1.6
67.05483	1.6
68.84155	1.2
69.07086	1.3
70.06590	2.5
72.04516	4.4
76.91264	1.3
80.94859	1.5
81.07055	3.9
88.07616	2.7
89.07995	1.5
93.07062	3.0
95.04953	1.8
95.08588	2.6
98.97552	2.7
98.98478	6.9
106.08662	1.5
106.80449	1.6
109.06476	1.3
111.04445	1.7
121.06537	1.5
123.04487	1.8
133.55301	1.3
135.64815	1.4
137.05966	2.5
139.07512	2.0
151.07526	3.5
165.12802	6.0
167.07043	6.3
177.09102	1.8
191.10643	2.1
236.20016	1.4
332.34311	12.9
333.16940	4.7
333.20370	100.0
333.24054	5.5
333.34729	10.3
334.20645	6.4
334.27417	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	PGB3
Peak:m/z	Relative Intensity
55.05505	1.0
56.96567	1.3
67.05510	3.2
69.07055	1.5
72.04521	1.2
76.48493	1.0
79.05499	1.2
81.07056	2.4
91.05484	1.9
93.07031	2.6
95.08604	2.8
98.98463	5.8
99.09305	0.9
107.08603	1.4
109.06525	1.5
109.10153	1.1
119.08574	1.3
165.12778	1.3
195.09883	5.1
236.20070	1.1
287.97632	1.2
315.16064	1.7
315.19318	15.5
316.19888	1.2
333.17145	4.6
333.20361	100.0
333.23819	3.7
334.20529	6.6
334.27142	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.9
57.07071	3.6
57.27061	0.9
58.07412	1.0
67.05503	2.5
69.03416	1.0
69.07065	2.6
69.69330	3.5
70.06598	4.2
71.06927	1.9
71.08630	2.3
72.04510	9.1
79.05508	2.9
81.07060	3.9
88.07638	2.7
89.07985	1.9
91.05489	1.7
93.07067	4.7
95.04977	2.4
95.08619	3.9
97.06516	0.9
98.22788	1.3
98.97570	1.4
98.98475	5.7
98.99022	0.9
99.04395	1.1
99.08128	1.2
101.11129	0.8
103.10889	1.0
105.07017	1.8
106.08691	1.8
107.08614	3.5
109.06557	3.8
113.50765	0.9
114.09241	2.2
114.17430	1.0
116.98643	1.3
121.06542	2.7
121.10157	1.7
131.08572	1.4
133.10152	3.0
135.08038	1.5
142.12262	1.0
159.11659	1.5
165.12759	13.0
168.06677	1.2
177.12794	2.3
191.14388	1.2
196.06223	0.9
204.10367	0.9
212.16475	1.4
220.17047	1.5
236.20059	6.1
245.61917	1.0
261.22220	1.5
288.00720	1.0
289.21695	3.2
316.26480	1.4
323.67947	1.0
332.34360	20.2
333.16861	3.6
333.20428	100.0
333.24310	19.0
333.34665	18.9
334.20724	7.3
334.24432	0.6
334.27417	9.9
349.40872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.6
57.07075	2.7
58.31505	1.1
67.05506	3.0
69.07059	2.1
69.47930	4.8
79.05486	1.6
81.07086	2.6
83.08586	1.5
91.05473	3.2
93.83440	1.1
95.08593	1.4
98.22880	3.5
98.23554	2.2
98.97573	2.6
98.98483	6.8
105.07027	1.1
109.10178	1.8
115.76387	1.4
116.98602	2.4
123.04384	1.9
124.07601	6.3
125.06027	1.7
129.06989	2.5
133.06480	1.7
133.10205	1.2
137.05931	1.5
139.07532	3.6
140.07074	1.2
143.08531	4.0
147.04359	1.8
147.08092	2.1
151.07552	3.0
152.07088	9.0
153.05472	5.3
159.08012	1.3
161.05977	2.3
165.09119	11.0
167.07050	7.7
171.08032	1.8
174.06831	1.4
175.07585	3.5
177.09131	1.4
185.13963	1.2
189.09071	5.8
191.10672	2.8
193.08572	1.6
203.10690	3.5
207.10188	4.6
217.12163	1.4
233.11613	1.4
246.93529	1.1
253.24989	1.4
286.91312	1.6
287.23669	3.4
301.21622	1.5
314.24802	1.2
315.19318	33.9
315.23135	8.2
316.19467	2.3
316.22821	2.0
332.34406	1.9
333.14410	4.2
333.16125	4.3
333.16815	4.1
333.20364	100.0
333.23999	5.7
334.20267	8.1
334.24414	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	333.206
Annotation	capsiconiate
Peak:m/z	Relative Intensity
50.15247	0.5
55.01869	1.0
55.05525	1.4
64.25972	0.5
65.03938	0.7
67.05500	5.9
69.03428	1.4
69.07067	1.4
69.49088	1.8
71.04991	1.6
71.23854	0.5
75.12665	0.4
79.05495	8.4
81.07053	12.6
83.01343	5.0
83.04961	0.8
85.02901	1.6
85.06535	0.6
91.05469	5.1
93.07047	7.7
95.04980	1.6
95.08595	5.6
97.02888	0.8
97.06541	0.8
98.23474	1.0
98.98464	4.5
105.07015	1.4
107.04946	2.1
107.08595	4.2
109.06526	4.0
109.10149	4.4
111.04443	0.7
111.08038	0.9
115.05434	0.5
117.07001	2.0
118.16417	0.6
119.04919	0.9
119.08525	1.3
121.06504	4.3
121.10139	2.0
125.05984	2.0
129.06963	1.0
131.08568	3.2
133.10153	0.5
135.08029	3.3
135.11699	3.2
137.05971	100.0
138.06305	3.5
139.07448	0.6
145.06485	1.3
145.09999	0.7
147.04419	1.0
147.08041	0.7
147.11633	0.7
148.05176	0.9
149.05977	4.3
149.09610	5.8
149.13237	0.9
151.07553	4.6
152.07829	0.5
152.33229	0.6
153.05495	0.8
153.12766	2.5
159.08070	2.1
159.11700	0.7
161.05972	1.4
162.06744	2.2
163.07535	44.9
164.07890	2.2
165.05484	5.3
165.09189	0.6
171.13765	1.8
173.09578	0.8
173.13235	2.9
174.06712	0.8
175.07533	5.4
176.08206	0.6
177.05588	8.3
177.09100	88.3
178.09407	3.6
187.07593	2.9
188.07967	0.5
189.09088	3.5
191.06944	0.8
191.10657	21.4
192.10965	1.0
193.08640	0.9
201.09064	2.4
203.10674	5.1
205.12260	2.6
215.10677	8.1
217.12218	7.3
219.10175	1.6
219.13626	0.5
227.10660	1.1
229.12212	7.2
230.12479	0.7
231.13786	4.9
237.11183	1.1
241.12186	1.2
255.10101	0.8
256.35962	0.5
283.97470	0.7
287.12665	1.9
297.15668	0.7
297.18530	9.6
298.18738	0.7
315.19550	31.0
316.19766	2.4
333.05902	0.9
333.20599	15.4
334.20944	2.0
342.56094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	Ptilodene
Peak:m/z	Relative Intensity
55.01866	1.1
55.05498	1.9
57.03442	1.0
62.46781	0.8
65.03929	1.0
65.97707	0.7
67.05502	8.6
69.03416	1.2
69.07061	1.9
69.39215	3.0
71.04973	1.9
79.05495	9.6
81.07053	12.7
82.07378	0.8
83.01352	6.9
83.04980	1.1
85.02943	1.0
91.05473	7.7
93.07048	8.0
95.04963	2.4
95.08601	5.9
97.06554	1.4
97.38029	0.7
98.98459	10.3
100.11255	1.6
100.98908	1.2
105.07051	3.7
107.04966	1.6
107.08575	4.6
108.15595	0.7
109.06522	4.2
109.10139	0.8
111.04435	1.6
117.07005	2.8
119.04910	0.9
119.08578	2.1
121.06528	4.3
121.10148	3.1
122.06798	0.7
123.04401	0.8
123.08070	1.4
125.05998	2.4
129.06963	1.2
131.08562	4.4
133.06514	0.7
133.10100	1.4
135.08066	4.0
135.11658	0.7
137.05972	100.0
138.06306	3.3
140.00169	0.6
141.11415	0.7
143.08528	0.8
145.06438	1.6
145.10117	2.0
147.04427	0.9
147.11694	1.2
149.05998	0.7
149.09637	6.2
151.07521	4.5
152.49231	0.6
153.05479	0.7
159.08029	2.0
159.11655	0.8
161.06000	2.1
161.09663	0.8
162.06732	2.3
163.07539	44.0
163.11186	2.8
164.07976	1.0
164.11508	1.2
165.11838	1.2
171.34259	0.6
173.09619	0.7
173.13287	3.1
174.06726	0.9
175.07547	5.4
176.08401	0.9
176.99010	1.8
177.09103	81.5
178.09430	3.9
187.07553	3.1
187.11107	1.1
189.09090	4.2
191.10667	18.1
191.14264	1.2
192.10973	1.3
201.09126	2.1
203.10667	4.6
205.12213	3.2
210.14922	1.0
211.65376	0.7
215.10674	6.5
217.12238	5.8
219.10164	1.2
219.44949	0.7
224.20282	0.7
227.10794	0.8
229.12166	5.1
231.13728	4.5
261.20767	0.7
269.19104	0.7
287.20004	1.3
297.18454	8.7
315.19522	27.0
316.19897	2.1
333.16992	1.2
333.20587	16.4
334.20963	2.3
346.21832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10069	1.1
52.20319	1.2
55.01868	3.4
55.05512	9.3
57.03428	1.6
57.07065	3.6
65.03929	2.5
67.01843	1.4
67.05502	31.8
68.99800	2.4
69.07068	15.4
69.44131	3.5
69.44538	1.7
71.08627	1.6
79.05493	6.7
81.07056	28.1
83.08609	5.9
91.05476	5.6
93.03403	3.0
93.07033	6.2
95.04961	11.0
95.08611	34.8
97.10149	2.5
98.23471	2.2
98.97591	1.8
98.98486	6.8
105.03404	2.0
105.04534	1.3
105.07018	5.9
107.04955	4.1
107.08601	3.4
109.10168	10.3
111.04372	1.3
115.05428	4.8
117.07027	2.7
119.04925	3.3
119.08562	3.0
121.10136	4.0
123.04424	20.3
123.11713	2.7
125.04689	1.5
125.05971	3.1
126.03136	6.4
128.06221	2.1
129.07007	5.3
131.04892	2.1
131.08565	2.7
133.06506	4.8
133.10095	2.2
135.04388	1.3
135.08061	1.6
135.11711	1.4
137.05994	2.2
137.13225	2.4
138.05443	1.5
139.03894	8.7
140.07030	5.3
141.05460	23.3
141.06641	1.3
141.06963	1.1
143.04944	1.1
143.08557	3.6
145.06473	2.5
145.10159	1.8
147.04388	5.3
147.08052	5.6
149.02347	2.2
149.05989	1.7
149.13313	1.6
151.07526	8.6
151.14813	1.4
153.05446	9.5
153.06786	1.9
154.02568	3.8
157.06435	2.4
157.10124	3.8
159.04442	1.8
159.08070	2.3
161.02371	1.5
161.05975	10.8
161.09589	2.4
163.03941	6.2
163.07503	2.5
163.14888	1.7
165.05507	3.4
165.09134	2.5
167.03378	3.2
167.07112	1.8
167.08501	1.5
168.04152	4.2
168.06458	6.6
169.04964	100.0
170.05299	2.5
171.08063	3.5
171.11687	2.5
173.06000	3.0
174.06735	1.4
175.03867	2.9
175.07498	9.0
175.11194	1.7
177.05510	5.5
179.07042	11.8
181.04999	1.4
181.06471	1.3
181.10191	1.3
183.06523	3.0
184.06613	1.2
185.05913	1.3
185.09598	4.1
189.05444	2.0
189.09108	2.1
191.07042	3.7
193.04956	5.2
193.08588	23.4
194.08929	1.5
195.06519	8.5
199.07550	3.9
199.11250	2.2
201.09163	1.6
201.16331	3.5
203.06964	9.3
203.10655	3.0
205.08580	6.8
207.10155	5.0
209.08070	6.5
213.09126	2.8
215.10667	1.5
217.08492	5.4
217.12178	2.6
219.10089	2.0
221.08032	3.2
227.10596	1.3
227.17937	2.0
229.15863	1.4
231.10236	6.3
235.09532	3.4
245.11560	1.8
245.19002	3.4
251.12749	1.2
255.17348	5.8
265.15918	1.3
273.18518	7.5
283.16904	3.9
287.19992	4.3
301.18042	5.3
305.21112	19.9
306.21213	1.8
315.19516	16.7
316.19571	1.5
333.16614	3.5
333.20514	16.4
333.24069	2.5
333.32092	1.9
334.23752	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	333.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01810	1.6
55.05508	14.4
55.35784	1.7
57.06808	3.5
57.07076	31.9
57.55556	1.6
59.04998	23.9
61.20129	2.1
63.07583	1.8
63.40227	1.8
67.05498	17.3
69.07066	8.1
69.40069	9.1
71.08629	29.2
72.04523	2.5
79.05488	6.5
81.07059	18.6
83.01344	5.8
83.08619	6.2
85.02923	2.1
85.10189	23.5
86.87589	1.8
87.93483	1.8
89.06030	20.7
91.05005	1.7
91.05476	9.7
93.07068	12.8
95.04971	4.4
95.08611	16.8
97.10178	2.5
98.98467	4.4
105.07053	3.5
107.08591	5.1
109.06501	4.9
109.10168	5.6
111.04420	3.3
117.07045	3.0
117.09137	6.2
119.08591	4.6
121.06520	27.0
121.10106	2.6
123.04404	2.7
123.11697	2.3
124.05213	6.1
125.06039	2.2
131.08617	2.5
133.08635	3.7
135.08034	2.9
137.05983	31.2
137.06989	3.0
139.07542	35.9
143.08580	2.3
147.08073	3.6
149.05983	2.4
151.09642	14.0
152.04674	3.7
153.05464	6.5
159.08096	4.5
161.06042	3.7
161.13319	3.1
163.07549	17.2
165.12791	6.4
167.07037	100.0
168.07405	2.9
175.07562	8.3
177.09097	17.3
179.07042	1.9
189.09093	4.9
191.10757	2.2
193.08603	4.3
203.10658	6.3
205.12241	3.7
207.10094	12.7
217.12241	3.9
219.13675	2.5
221.11624	4.3
237.14911	3.9
273.22015	5.4
277.25314	5.3
283.20541	3.4
299.77780	2.0
301.21649	25.3
305.24701	19.3
333.16705	2.6
333.24203	20.8
334.24091	3.8
334.27521	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2425
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
55.05508	2.4
57.07080	2.7
67.05511	3.5
68.99795	0.7
69.07062	2.8
70.42896	0.6
71.08621	1.5
71.36691	0.6
71.43984	0.6
79.05490	1.8
81.07062	3.4
81.32843	0.5
83.04987	0.8
83.08617	1.9
85.02905	9.0
91.05491	1.0
93.07041	2.0
95.04966	1.2
95.08612	3.8
97.06557	0.6
98.97596	0.9
98.98474	1.9
105.07012	1.3
107.08608	1.6
107.96692	0.6
109.10152	1.5
111.04441	2.0
114.62846	0.5
116.98630	0.8
119.08581	1.2
121.06467	1.0
121.10169	1.2
123.04438	2.2
124.05212	5.8
125.06016	1.1
137.05971	21.4
138.06758	1.0
143.73000	0.5
149.05956	1.4
151.07474	1.6
163.07536	0.9
165.09108	0.9
169.04961	2.5
179.07097	1.6
193.12241	0.8
207.13757	1.0
221.15385	1.3
235.16969	1.9
244.00702	0.6
248.75650	0.5
249.15016	0.6
249.18462	1.4
291.23175	25.8
292.23557	1.9
333.24234	100.0
334.24496	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	333.2636
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
51.70161	2.4
55.01889	3.5
55.05513	19.0
56.26080	2.2
57.03440	3.1
57.07077	6.5
67.05504	63.8
69.07072	29.7
70.06595	4.1
71.04988	6.1
73.25220	2.5
79.05498	22.3
81.03384	2.7
81.07057	80.4
83.08618	13.5
85.06527	4.3
88.07625	4.4
91.05490	9.5
93.07047	24.4
95.05003	2.7
95.08611	85.2
97.06530	7.4
97.10180	9.9
98.23513	5.6
98.97567	2.8
98.97771	2.9
98.98456	34.9
99.08099	3.0
105.07050	10.9
107.08591	19.2
109.10155	38.3
111.08097	5.4
111.11710	2.8
113.24605	2.5
117.07049	3.0
119.08594	11.9
121.10168	19.1
123.08128	4.6
123.11688	17.6
130.54344	2.9
131.08614	6.9
133.10138	6.8
135.11681	10.9
137.13278	9.0
145.10121	7.8
147.11716	7.8
149.13263	6.5
151.11176	2.8
151.14835	3.7
159.11731	3.7
161.13274	8.9
165.12737	3.1
173.13258	4.7
176.98918	5.8
177.16354	2.8
179.14293	4.3
187.14804	5.9
201.16486	2.8
209.15344	3.8
223.16972	3.5
228.23219	5.8
243.21133	10.8
246.81369	2.8
251.63356	2.7
261.22147	23.4
274.72479	2.4
279.23187	100.0
280.23392	5.8
297.24152	11.1
333.27777	5.3
334.27960	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2791
Annotation	cis-4,10,13,16-Docosatetraenoic Acid
Peak:m/z	Relative Intensity
53.03947	0.4
55.05512	14.2
56.05849	0.2
57.07075	2.2
65.03931	0.2
67.05505	0.5
69.07069	9.0
70.61805	0.2
71.08636	1.2
79.05492	1.1
81.07054	1.9
83.08617	3.7
85.10174	0.3
91.05472	1.3
93.07006	0.1
94.04183	0.2
95.04977	0.3
95.08623	0.2
97.10165	1.6
105.07021	0.2
107.04951	1.1
107.08592	0.2
109.05843	0.2
109.06523	2.4
110.03700	0.2
111.11758	0.2
111.69298	0.1
118.95559	0.1
119.04952	0.3
119.08627	0.1
121.06516	0.2
123.04394	0.2
125.05996	3.8
129.06996	0.4
133.06473	0.2
133.10129	0.1
135.05545	0.2
137.05977	100.0
138.06305	3.1
139.07558	1.1
143.08554	0.3
147.08051	0.3
151.07552	1.3
153.05498	0.2
159.08095	0.2
161.05963	0.2
161.09610	0.3
163.07574	0.2
167.07036	2.1
175.07617	0.7
175.11128	0.1
176.31313	0.1
177.09070	0.4
189.09126	0.5
191.10739	0.2
193.08591	0.4
200.71127	0.1
203.10706	0.2
207.10135	0.8
217.12126	0.2
221.11755	0.2
231.13713	0.2
287.23618	0.2
301.21701	0.4
315.23117	0.7
333.24371	1.0
333.27850	14.7
334.28214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	0.5
83.08594	0.4
98.97594	1.3
98.98478	0.4
120.90720	0.4
126.09122	1.2
127.07519	0.6
135.07855	0.4
137.04977	0.4
137.06004	0.7
154.08606	1.4
155.07013	1.1
162.23782	0.4
168.04045	0.4
172.03720	1.3
172.09677	3.0
293.09192	1.0
334.08945	100.0
335.09338	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	334.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15001	0.4
58.06599	2.8
65.03941	0.5
65.79229	0.3
67.66755	0.3
69.46278	0.3
70.79600	0.4
70.79951	0.5
72.04525	1.7
72.08147	4.2
81.07059	0.5
84.08157	2.3
86.01728	0.3
91.05475	4.2
95.11355	0.3
98.98460	0.6
100.07617	0.4
112.11221	3.0
114.08362	0.6
114.09166	11.6
119.04939	18.2
120.05278	0.5
129.13908	0.5
131.11768	1.1
132.65837	0.3
143.11794	2.1
147.04402	100.0
148.04749	3.5
155.11803	1.0
170.16522	1.1
171.14931	8.3
188.17580	18.4
189.17867	0.4
192.82999	0.3
204.10190	55.6
205.10542	2.3
213.15958	0.6
248.42421	0.3
257.23398	0.3
316.20190	1.0
317.18585	18.2
318.18811	1.2
334.21246	61.4
335.21579	4.8
340.87247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49469	0.4
54.65591	0.4
55.05497	1.1
56.05040	2.6
67.05510	5.5
69.03391	1.6
69.07046	0.6
70.04140	0.5
70.06593	5.1
70.67088	0.8
71.04952	0.8
76.32185	0.4
78.22160	0.5
81.07060	9.6
83.08598	1.3
84.04463	0.7
85.06494	0.8
85.82890	0.4
86.06067	17.2
87.04472	13.8
91.05480	4.1
95.08604	2.5
96.08098	1.6
98.06054	29.8
99.06383	0.8
104.07052	0.6
105.07009	1.1
107.08556	1.3
109.10157	3.2
112.07561	2.0
119.08535	0.9
123.11666	1.7
124.07590	10.1
125.07867	0.5
133.10136	6.4
137.09595	1.5
143.94798	0.6
151.11168	12.6
152.11487	0.6
155.10628	2.2
162.60904	0.5
168.13857	7.6
186.14922	2.6
187.17300	0.4
208.16902	0.7
236.16444	19.3
237.16682	0.9
251.90746	0.4
272.18561	100.0
273.18860	5.8
298.19839	0.5
316.21179	28.7
317.21497	2.0
334.22235	18.6
335.22641	1.0
335.29749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.4
56.05013	1.2
57.07067	1.6
65.03928	1.2
67.05511	10.5
69.07075	2.7
69.78021	2.6
77.77689	1.0
79.05489	2.6
80.94839	2.3
81.07066	7.1
83.08610	1.5
84.04510	2.2
91.05470	2.7
93.07050	2.4
94.06570	3.3
95.04965	6.3
95.08087	1.0
95.08597	6.8
98.23454	1.2
98.97544	1.5
105.03375	1.6
105.07034	1.2
107.08543	1.1
109.10136	2.8
110.06055	2.5
119.04972	1.4
122.06068	6.6
123.04436	25.2
124.03927	3.8
124.04771	1.4
125.04737	15.5
129.09857	1.1
138.03134	1.3
138.05502	19.9
139.06274	4.8
140.07062	78.3
141.07379	2.2
147.04475	2.4
150.05432	1.7
151.03952	1.3
151.07570	1.2
152.03421	5.2
152.06966	1.4
153.04269	2.3
153.05403	10.2
154.04932	2.0
164.07088	2.0
167.05774	1.9
168.06563	100.0
169.06856	2.3
177.09059	1.2
179.07082	3.5
182.08183	1.4
251.15402	1.1
306.24356	1.4
317.21182	3.5
334.23779	62.2
335.21429	11.6
335.25714	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2377
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
51.24545	0.2
51.39568	0.2
51.68075	0.2
55.05487	0.2
69.30337	1.3
81.07044	0.5
91.05461	0.7
93.07039	0.3
96.74602	0.3
98.54511	0.2
106.06546	1.5
107.07348	0.3
109.10153	0.2
117.05762	0.7
118.06544	3.5
120.08060	0.3
130.06528	0.3
131.07306	0.8
132.08073	1.5
133.08875	0.4
134.09651	0.6
144.08063	0.3
146.09642	3.1
151.09930	0.5
160.11214	1.7
162.09137	7.6
162.12729	0.2
163.09564	0.3
172.11226	0.4
174.12729	0.4
176.10687	2.8
177.11470	0.6
190.12256	9.4
191.12462	0.3
194.11780	0.4
204.06168	0.2
204.13852	1.2
220.16937	0.3
235.72594	0.3
236.20038	0.3
244.20587	1.1
272.20078	10.3
273.20377	0.7
290.20996	1.9
316.22565	0.5
334.23734	100.0
335.24033	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	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05509	7.8
57.03437	5.4
57.07066	5.4
59.91734	0.9
65.46030	1.0
67.05158	1.8
67.05505	24.0
69.07074	10.3
71.05006	1.9
71.08627	10.1
71.11160	0.9
72.04519	72.8
79.05497	12.2
81.07062	25.1
83.08611	1.9
85.06544	3.7
88.07588	1.5
91.05489	8.5
93.07045	19.9
93.90667	0.9
95.04416	1.8
95.04977	18.8
95.08608	27.1
97.06551	4.6
99.08098	7.1
100.07604	3.2
105.04520	1.2
105.07032	8.0
107.08591	12.9
109.06528	23.9
109.10159	9.6
111.08120	1.2
114.09167	19.4
117.07056	2.2
119.08579	8.1
121.06503	3.0
121.10151	5.1
123.08024	2.7
123.11690	2.2
128.10707	6.1
131.08566	7.1
133.10127	8.2
135.08081	2.5
135.11676	2.7
137.09584	2.1
140.10658	2.1
142.12312	4.8
145.10123	4.5
147.11671	4.0
149.09564	1.1
149.13231	4.6
151.11235	1.0
154.12245	1.1
156.13843	2.6
159.11751	3.2
161.13300	1.4
163.14850	2.3
165.12756	100.0
166.13101	3.8
173.13263	7.5
175.11177	3.7
175.14815	1.3
179.14287	1.1
180.13808	1.9
182.15382	14.2
183.11664	1.1
184.13370	2.3
184.16914	1.5
191.14372	7.8
194.15372	1.4
201.12738	5.7
212.16470	12.6
215.14452	1.2
220.16974	13.1
229.19542	2.8
235.19606	0.9
236.20105	39.3
237.20393	2.3
253.19633	1.6
261.22144	2.6
271.20572	6.8
278.21088	1.5
289.21634	8.0
299.75769	1.2
316.26385	8.1
334.27396	66.3
335.21884	12.1
335.25903	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
58.94337	0.4
69.03419	1.4
70.35416	0.9
79.10880	0.5
81.03419	0.5
85.02908	1.2
88.47334	0.5
97.02807	0.6
173.00615	1.1
173.02112	22.3
174.02473	0.7
184.07587	0.5
185.04199	7.4
289.11990	0.8
335.07361	100.0
336.07657	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
69.78879	6.0
69.79264	5.2
84.08163	2.7
109.99741	2.7
121.86401	2.6
131.01845	3.5
158.99657	3.1
183.60902	2.9
219.01950	5.5
275.09818	4.0
293.10648	3.1
330.08691	4.3
335.07361	100.0
335.13300	5.2
336.07654	7.8
337.65015	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	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.94471	4.1
51.89785	4.5
84.08120	11.7
85.46622	5.9
88.69764	4.5
88.71121	4.2
104.20168	4.9
130.08694	8.0
236.93169	5.3
272.02762	4.9
335.07144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78983	3.3
56.69022	3.2
56.96557	3.7
67.05483	3.8
68.01142	3.6
69.78882	7.1
69.79285	6.8
70.06582	6.3
81.03433	4.5
85.02897	8.2
85.06544	7.2
95.04975	5.4
97.02914	9.6
98.23460	4.0
98.97574	5.4
98.98494	11.4
101.00885	21.9
108.08080	4.8
109.08491	4.9
113.00944	7.0
119.01917	24.2
123.05574	24.6
127.03953	4.7
131.01927	13.1
131.05490	5.4
133.03444	4.5
143.01906	72.1
145.03459	8.6
152.07137	4.4
153.01834	8.5
155.01927	22.3
156.06613	7.1
157.03539	6.7
159.05058	5.3
161.02980	66.1
171.05060	4.2
173.02983	16.0
173.06644	19.2
173.12683	3.8
185.06642	27.0
187.60728	4.3
191.07649	9.2
191.94766	4.6
203.04039	4.2
203.07683	12.1
215.07626	9.7
217.05629	7.0
221.05064	12.5
223.04915	14.1
234.99023	5.8
235.06638	15.1
251.30594	3.9
253.07681	7.5
270.91495	5.0
275.09821	31.6
289.09659	20.3
293.10855	76.7
307.10721	26.4
312.07697	5.3
329.97690	4.3
335.07507	100.0
335.11621	78.9
336.07639	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	335.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.1
69.56221	5.3
81.03384	1.2
82.99866	3.9
85.02901	5.0
86.57172	1.1
95.92417	1.4
97.02937	1.5
98.97591	7.0
101.00880	24.1
103.02534	1.2
108.08132	1.2
113.00866	6.8
113.04542	1.3
115.02416	4.2
116.98616	2.9
119.01917	39.2
127.02404	2.3
129.03970	2.1
131.01915	19.8
131.05551	10.8
133.03462	4.8
134.99620	1.5
137.00829	2.3
137.02998	3.0
137.05899	2.0
138.06326	1.9
143.01901	100.0
144.01997	5.9
145.03479	6.7
147.01376	1.9
147.05026	3.4
149.02948	2.6
149.06580	8.6
153.01810	2.8
155.01892	28.5
155.03238	2.3
155.05521	4.6
156.02673	2.8
157.03470	3.0
158.06601	5.0
159.05034	3.5
161.02962	99.1
162.03101	6.0
167.05553	2.1
171.05006	2.7
171.63303	1.2
173.02992	26.1
173.06592	32.3
174.06746	1.6
174.69896	1.1
175.04465	1.9
176.07628	1.7
176.97412	2.4
177.06078	2.6
185.02951	3.0
185.06586	34.5
187.08153	5.5
191.07663	8.2
194.98473	1.9
197.06668	2.9
199.08142	2.0
203.03999	8.8
203.07649	16.2
209.06602	2.4
212.52881	1.3
213.06209	1.2
215.07663	13.8
219.01883	2.4
220.02718	1.7
221.05066	21.6
222.05165	2.1
227.07645	3.0
233.08691	4.0
238.03748	1.6
246.91953	1.6
257.08762	5.7
258.06729	1.7
270.06631	2.1
270.91968	3.7
274.97513	1.6
275.09744	36.1
276.09991	4.1
282.06464	1.7
288.92621	3.0
292.98459	1.4
293.10806	91.4
294.11063	6.7
300.07764	2.5
312.07773	21.8
312.11224	1.9
313.08023	2.9
316.12335	1.8
335.07785	2.9
335.11850	59.8
336.11887	7.0
355.69925	1.4
355.75174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.3
57.03432	11.1
57.29126	4.1
67.05507	42.0
69.07077	7.9
69.35043	8.8
69.35435	13.8
79.05486	18.5
81.07038	38.2
81.13779	4.4
83.08624	5.9
91.05468	13.4
93.07044	22.1
95.08606	33.7
98.22749	8.9
102.37809	4.4
105.07040	9.1
107.08614	12.3
109.10140	10.3
119.08588	9.4
121.10158	10.1
123.04381	4.5
134.53101	4.4
135.08035	11.3
137.05986	4.7
140.07123	8.1
141.07349	5.7
168.06615	13.6
169.06970	10.0
170.19438	4.1
176.88086	4.3
269.33630	5.2
277.03217	3.9
282.33539	4.6
288.92203	6.4
303.32242	4.9
317.21277	8.4
317.24786	15.6
321.65680	5.3
335.21906	100.0
335.25687	36.7
336.21808	13.3
336.25797	5.1
345.30945	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78687	0.3
67.05481	0.4
68.64552	0.3
69.94647	0.6
69.94998	0.8
79.66764	0.4
80.94839	0.4
88.07617	0.8
95.08624	0.5
98.23318	0.5
106.09196	0.3
108.73083	0.3
139.61113	0.4
153.35851	0.3
195.09930	0.9
243.25130	0.4
288.92154	0.4
335.21909	100.0
336.22162	6.7
336.25208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	0.9
58.06585	0.9
64.55325	0.8
67.05490	1.0
68.11792	0.8
69.07099	1.1
86.06084	1.0
88.07621	5.2
88.08067	0.8
89.07977	1.3
95.08616	1.0
106.28700	0.9
110.08500	1.0
111.29749	0.8
132.10214	1.0
242.24631	1.3
243.25113	3.8
287.27716	1.7
288.92331	1.1
335.21915	100.0
335.29825	18.7
336.22202	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	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
58.91235	0.6
62.00129	0.6
62.20442	0.6
69.75388	1.2
69.75764	1.8
335.21927	100.0
336.22327	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	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
51.64310	0.3
53.81943	0.3
53.89248	0.3
55.05499	0.7
57.03424	1.6
58.00723	0.4
61.45800	0.3
67.05500	5.1
67.22578	0.3
69.07046	0.9
69.25202	0.9
69.25615	1.2
72.04511	0.7
72.40321	0.4
79.05499	2.2
81.07045	4.5
83.08635	0.6
85.06501	0.4
86.96101	0.3
91.05466	1.3
93.07017	2.5
93.16685	0.4
95.04976	0.5
95.08604	3.5
98.23533	0.6
101.98544	0.4
105.07030	0.4
107.08574	1.5
109.06512	0.4
109.10165	1.8
114.09092	0.4
117.07002	0.3
119.08583	1.0
119.43256	0.4
121.10137	1.0
123.11716	0.5
128.41722	0.4
131.08574	0.7
133.10097	0.5
135.11705	1.0
137.05948	1.0
145.10069	0.4
149.13205	0.6
163.07578	0.4
165.12720	0.8
166.13045	0.5
173.13268	0.4
181.39839	0.4
221.11528	0.8
233.11789	0.6
235.13013	0.7
243.21072	0.5
261.22223	0.5
317.21204	2.3
335.21924	100.0
335.25677	7.5
336.22226	6.5
336.26239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2216
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
53.03941	0.4
53.23269	0.4
55.01868	1.0
55.05510	3.4
57.03438	12.7
57.07073	1.9
58.06592	0.7
61.49824	0.3
62.16750	0.4
65.03941	0.7
67.05505	8.2
69.07073	2.3
69.58437	0.4
69.58787	1.4
71.04983	1.3
71.08626	0.7
74.06073	1.1
79.05492	3.8
81.07054	6.0
83.01349	1.3
83.04951	0.7
83.08624	1.4
85.06539	9.0
86.06074	0.6
88.07626	4.6
88.76313	0.4
89.07964	1.1
91.05470	2.9
91.94392	0.3
93.07037	4.9
95.04961	8.9
95.08102	0.5
95.08615	5.7
97.06519	3.4
97.10174	0.5
99.08134	0.5
104.07103	0.5
105.07011	1.9
107.04951	1.5
107.08598	1.7
109.06516	10.9
109.10153	1.7
111.08055	2.5
113.06005	12.8
114.99678	0.4
118.25417	0.5
119.08565	1.7
121.06482	1.3
121.10129	2.7
123.08055	2.2
125.05988	6.4
132.10188	0.8
133.10165	0.5
135.08055	0.7
135.11732	0.6
137.05974	57.7
138.06349	2.1
141.09087	1.0
145.10129	0.4
149.09596	0.9
149.13260	0.5
151.03934	0.8
151.07515	1.5
161.05989	0.4
163.07542	10.4
163.75894	0.3
173.13252	0.4
175.07567	0.9
175.14812	1.1
177.09102	13.6
179.10579	0.4
189.09059	1.2
191.10609	2.6
193.15936	1.0
199.85243	0.4
203.10667	1.4
208.96680	0.4
215.10721	0.5
229.12265	0.6
231.13828	0.7
242.24805	1.3
243.25145	3.9
245.15324	0.6
249.14943	0.7
280.13879	0.4
280.69107	0.4
287.27686	1.5
299.19983	0.7
317.21094	100.0
318.21463	8.9
334.29517	1.6
335.18137	0.9
335.22125	14.6
335.29831	17.3
336.22589	1.2
336.30066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.3
55.05507	13.4
57.07080	16.6
65.03930	3.6
67.05503	25.4
69.07067	13.2
69.08136	5.4
69.08541	6.7
71.08627	9.5
79.05491	11.2
81.07063	22.9
83.04947	2.1
83.08618	6.5
85.10174	4.6
87.26817	2.1
89.06005	6.1
91.05475	5.6
93.03413	4.3
93.07037	9.4
95.04958	11.5
95.08601	18.9
97.10217	4.8
105.07026	4.7
107.04945	5.8
107.08604	4.3
107.99499	1.8
108.80523	1.8
109.10169	5.2
111.04424	4.1
117.06941	2.5
119.08582	2.0
121.06521	4.7
121.10148	4.7
123.04438	28.7
123.11684	3.4
125.05976	5.5
126.03142	6.0
131.04941	1.9
131.08569	3.7
133.06500	2.3
135.04440	5.4
135.08086	4.9
135.11696	3.6
137.06003	3.5
139.03908	37.3
141.05438	22.3
145.06572	2.3
147.11615	2.6
149.02321	11.2
149.05980	7.7
149.13235	2.2
151.09627	3.4
153.05463	18.8
153.09084	3.9
154.02618	3.0
159.04390	3.5
159.08046	1.9
161.05971	5.1
162.03163	2.9
163.03896	37.6
163.07558	5.3
165.05469	2.4
167.03395	16.2
167.07062	7.0
169.04970	100.0
170.05342	1.8
173.06027	2.9
177.05498	16.2
177.09109	2.1
179.07050	3.1
181.04921	3.3
187.07564	3.3
191.07016	6.6
193.08560	5.4
195.06532	6.2
205.08658	6.5
205.19531	3.9
209.08162	2.3
219.10114	4.1
247.20557	5.0
275.20050	8.4
289.21808	2.7
303.19498	17.5
307.22665	31.3
317.21106	11.4
335.12192	2.0
335.22137	16.0
335.25848	8.4
335.29483	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	335.2216
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
55.01873	1.8
55.05509	8.4
56.81094	0.7
57.07077	12.4
61.02908	0.9
65.03949	2.7
67.05505	9.7
68.99784	1.9
69.07063	8.1
69.47182	2.7
69.47588	1.6
69.83651	0.8
71.08630	8.2
79.05493	4.8
81.07050	7.4
83.04974	1.5
83.08630	4.3
85.02889	1.4
85.10191	1.8
91.05479	4.5
93.03401	3.3
93.07018	3.9
95.04963	11.4
95.08613	7.7
97.10159	2.9
98.23389	2.0
103.05480	2.5
105.03369	1.1
105.07027	3.5
107.04951	5.6
107.08603	2.1
109.10168	1.9
110.03693	0.8
111.04441	3.6
113.02361	0.9
115.05444	2.0
117.07025	2.2
119.04941	1.7
119.08601	1.2
121.02872	1.3
121.06500	3.3
121.10143	1.6
123.04424	20.7
123.11712	1.2
125.05986	4.9
126.03131	6.3
129.06989	1.4
131.04930	3.1
131.08540	2.6
133.06474	2.3
135.04410	6.3
135.08067	3.4
137.05983	2.0
139.03897	35.7
139.07472	1.0
140.04285	1.0
141.05464	23.2
145.06458	2.2
147.04425	3.0
147.08011	1.2
149.02342	11.1
149.05978	6.4
149.09608	2.0
151.03888	1.4
153.05475	16.9
153.09119	2.4
154.02632	2.6
155.14273	1.7
159.04382	4.2
159.08064	1.5
161.02330	1.0
161.05983	3.8
162.03101	2.7
163.03903	38.1
163.07552	5.4
164.04353	0.8
165.05473	1.8
166.02567	1.1
167.03413	16.0
167.07030	5.5
168.04176	1.5
169.04959	100.0
170.05313	2.9
173.05981	2.0
173.09627	1.1
175.07558	2.1
177.01637	0.9
177.05464	18.4
177.09174	2.8
179.07024	6.5
180.04123	1.0
180.07446	0.9
181.04915	4.1
183.06450	2.1
187.07526	1.8
189.09090	1.7
191.07066	6.2
193.08621	7.8
195.06546	9.8
201.09157	1.7
205.08627	4.2
205.19530	1.9
207.10190	2.1
209.08044	2.4
219.10130	2.2
219.21014	0.9
221.11664	0.9
223.09679	1.1
229.19507	1.1
233.11649	1.0
247.20685	5.0
257.19052	1.6
261.22208	0.8
275.20062	12.7
279.23343	1.7
285.18512	1.8
289.21609	4.3
299.19839	1.1
303.19522	20.4
304.19867	1.2
307.22662	42.8
308.22983	3.1
317.21039	14.8
318.21820	1.2
329.92267	0.9
335.22141	13.3
335.25967	1.2
336.22467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03937	0.5
55.01868	1.9
55.05508	6.7
55.39028	0.5
57.06813	0.9
57.07071	9.9
65.03925	0.9
67.05505	9.0
68.99786	1.7
69.03423	0.7
69.07063	6.6
70.62603	0.7
71.08627	7.8
79.05492	4.2
81.07054	8.2
83.01326	1.0
83.04998	0.9
83.08625	3.5
85.02921	0.8
85.10191	2.5
91.05475	2.6
93.03378	1.7
93.07026	2.0
95.04964	8.5
95.08604	6.7
97.10175	1.9
103.05456	2.2
105.03405	0.9
105.04495	0.5
105.07022	1.4
107.04948	5.2
107.08570	0.7
109.10151	2.0
111.04453	2.8
111.11708	1.0
115.05482	1.1
117.07011	1.9
119.04912	1.2
119.08546	1.1
121.02836	1.1
121.06488	3.1
121.10133	2.1
123.04430	19.1
123.11694	0.9
125.02412	0.6
125.05981	4.3
126.03125	4.6
129.06996	0.9
131.04941	2.1
131.08553	1.9
133.02849	0.6
133.06494	2.0
133.10136	0.8
135.04417	4.8
135.08063	2.8
135.11702	1.0
137.05948	1.6
137.13318	0.9
139.03897	32.5
139.07542	1.1
140.04309	1.0
141.05458	19.8
141.12753	0.6
142.05679	0.5
145.06535	2.7
145.10170	0.8
147.04408	2.0
147.08043	1.1
149.02338	8.8
149.05972	4.9
149.09612	1.8
151.03908	0.9
151.05031	0.7
153.05466	14.5
153.09096	3.1
154.02597	3.7
155.14291	1.8
159.04364	2.8
159.08046	1.3
159.11705	0.8
161.02272	0.7
161.05975	4.1
162.03188	1.0
163.03902	32.6
163.07582	4.5
164.04263	1.2
165.05431	1.5
165.09120	1.0
166.02707	1.0
167.03398	14.9
167.07025	5.6
167.10654	0.7
168.04100	1.1
169.04955	100.0
170.05305	3.8
173.05898	3.1
173.09697	0.8
175.07541	1.6
177.05458	16.3
177.09076	3.5
178.05963	0.6
179.07013	8.1
180.04190	1.0
181.04939	3.1
183.06555	2.2
187.07539	2.1
189.09076	1.3
191.07021	7.3
191.10634	1.4
193.08586	8.5
194.05807	0.7
195.06529	9.3
201.09088	1.3
203.10680	1.1
205.08598	4.3
205.19501	1.5
207.10115	1.4
209.08073	1.8
215.10634	0.7
219.10187	2.2
219.21039	0.8
221.11685	0.9
223.09612	0.9
229.19485	1.3
233.11707	1.2
235.13310	0.6
236.89404	0.5
247.13252	0.8
247.20575	4.4
248.20528	0.6
257.18927	0.8
261.22131	1.7
266.16873	0.5
275.20078	11.2
279.23209	1.1
285.18439	1.5
289.21576	5.5
303.19525	20.8
304.19855	1.6
307.22656	36.1
308.22931	2.9
317.21082	12.4
318.21313	1.5
335.22119	15.2
336.22522	1.0
342.58032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2218
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
52.89025	1.1
53.03943	1.5
53.73249	1.1
55.01876	4.1
55.05514	12.8
57.03447	6.5
57.07076	3.1
65.03951	2.2
67.05505	39.4
68.99794	1.4
69.07078	10.1
69.28497	4.6
71.04987	2.8
71.08631	57.3
72.04530	1.5
79.05499	15.6
81.07060	41.5
83.04948	1.2
83.08625	9.4
91.05472	5.8
93.07041	13.6
94.37622	1.0
95.04979	4.3
95.08607	44.3
96.95795	1.3
97.06525	4.0
97.10139	2.6
98.98460	2.0
99.08094	58.0
103.05490	3.1
105.07037	6.0
107.04978	8.4
107.08601	6.2
108.02089	2.7
109.06548	2.4
109.10149	22.3
110.03643	1.7
110.10513	1.3
111.04450	2.0
113.09665	1.2
117.07005	2.1
119.08593	3.8
121.06515	6.9
121.10148	4.1
123.04434	12.9
123.11713	5.1
125.06001	12.4
127.11238	2.3
131.08571	2.3
133.06488	2.1
133.10123	3.0
135.08080	4.8
135.11705	2.1
137.05978	20.4
141.05463	18.9
141.12756	2.0
145.06499	1.4
145.10060	1.2
147.04442	2.2
148.05228	1.3
148.29433	1.1
149.05989	3.5
149.13286	3.9
151.03906	100.0
151.07550	3.2
151.14844	1.6
151.57149	1.0
152.04207	2.5
153.05487	15.9
159.08180	1.7
161.06023	5.3
162.06770	3.8
163.07549	39.1
163.08882	2.2
164.07874	2.0
165.12804	1.9
165.16447	3.4
166.13062	1.4
174.06783	4.0
175.07585	9.6
175.11249	5.3
175.14870	2.1
177.05478	3.2
177.09090	3.7
179.07019	7.7
187.07571	12.5
188.08228	2.4
189.09038	2.1
191.10666	6.5
193.08542	1.5
193.16014	1.5
201.09160	5.1
203.10683	42.4
204.11151	1.8
215.10602	5.3
219.13826	12.0
229.12296	2.9
237.20459	1.6
293.69760	1.3
299.19989	7.2
303.19785	1.3
317.21204	7.5
335.22162	79.3
335.25861	18.1
336.22366	4.9
336.25909	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2218
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
53.03933	0.3
55.01859	0.7
55.05511	8.2
57.03427	0.5
57.07073	2.8
58.78952	0.2
67.05504	7.0
68.99794	5.2
69.07066	11.5
69.53852	0.5
69.54241	0.4
71.04973	0.7
71.08630	1.9
79.05494	3.4
80.94858	0.3
81.03416	1.0
81.07057	6.1
83.04974	0.3
83.08618	5.8
85.02897	0.4
85.06538	0.6
85.10179	0.8
87.00847	0.4
89.06019	0.8
91.05485	0.6
93.07043	4.7
95.04971	0.3
95.08604	6.1
96.08846	0.2
97.06530	1.6
97.10166	3.8
99.04454	0.7
99.08086	0.4
105.07025	0.4
107.08591	2.8
109.02886	1.0
109.10153	5.1
111.00798	8.5
111.04456	0.5
111.08083	1.1
111.11707	1.5
113.09647	0.5
121.06522	0.3
121.10140	4.6
123.11722	1.1
125.05986	1.2
125.09637	0.6
125.57064	0.2
127.03911	100.0
128.04236	2.0
133.10114	0.3
135.11702	2.9
137.05977	0.3
137.09647	0.3
137.13272	0.4
139.11157	0.5
149.13260	1.1
151.09615	1.4
153.01816	0.3
153.05411	1.1
153.09070	0.4
153.12967	0.2
163.07555	0.2
169.04955	0.8
179.07002	0.3
181.04903	0.4
191.17932	3.2
192.18297	0.3
193.08649	0.6
200.94014	0.2
205.08604	0.3
207.21223	0.3
209.18979	2.1
219.10214	0.3
223.09602	0.3
225.22124	0.4
233.19069	0.2
235.13177	0.2
237.11189	0.5
251.12756	0.5
251.20050	1.3
265.14383	0.8
275.20139	0.5
279.15915	0.6
293.21121	0.3
308.64581	0.2
317.21161	1.8
319.28400	0.5
335.22162	8.0
335.25815	1.3
336.22610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Phomactin A
Peak:m/z	Relative Intensity
51.49286	0.2
51.76546	0.2
53.03931	0.7
55.01859	1.2
55.05510	11.5
57.03435	0.6
57.07079	1.4
62.19453	0.3
65.03917	0.4
66.10120	0.3
67.01558	0.2
67.01855	1.5
67.05164	0.4
67.05502	6.8
69.03426	2.0
69.07066	8.8
69.21631	1.1
71.04992	1.9
71.08630	10.2
77.03943	0.4
79.05492	8.3
81.07056	9.7
83.01338	0.5
83.04968	0.4
83.08615	7.6
85.06538	0.4
85.10120	0.2
91.05474	2.4
93.07045	3.8
95.04961	2.4
95.08602	7.9
97.02890	0.3
97.06533	1.4
97.10164	2.2
98.23111	1.1
99.08091	9.6
104.19093	0.3
105.04541	0.5
105.07049	1.8
107.04948	3.4
107.08594	2.5
109.06538	2.0
109.10142	2.4
111.04417	1.4
111.08087	0.3
115.05474	0.5
117.07015	0.8
119.05012	0.3
119.08584	1.1
121.06485	2.6
121.10146	2.6
123.04429	4.6
123.06345	0.3
123.08056	0.7
123.11695	0.8
125.02352	0.8
125.05987	11.1
125.09629	0.4
127.11185	1.0
129.06995	0.7
131.08539	1.2
133.06493	1.0
133.10117	0.6
135.04407	8.1
135.08017	1.0
135.11633	1.5
137.05971	19.1
137.13257	0.3
138.06351	0.4
139.03958	0.4
139.07628	0.3
139.14767	1.3
141.05475	0.6
141.12723	0.8
142.07788	0.3
143.08508	0.4
145.06474	1.1
145.10127	1.0
147.04387	0.4
147.08066	0.6
147.11652	0.3
149.05962	1.1
149.09619	0.9
149.13245	0.5
151.03902	1.0
151.07483	1.4
153.05458	100.0
154.05800	2.9
157.10208	0.3
159.08086	1.2
159.11702	0.3
161.05968	2.7
161.09608	0.8
163.03897	0.7
163.07526	3.6
164.04657	0.5
165.05464	2.0
165.09079	0.3
165.16443	0.4
167.07056	1.7
168.06593	0.5
169.04926	1.2
173.05986	0.6
173.09576	0.5
173.13292	0.3
175.07536	1.4
175.11203	0.8
177.05463	5.0
177.09091	2.2
177.16382	1.1
179.07022	4.8
183.11685	0.3
187.07533	2.8
187.11171	0.6
189.09029	0.4
189.12865	0.3
191.07027	2.2
191.10674	1.8
191.14322	0.3
191.17917	1.7
192.18277	0.3
193.08604	2.1
195.17459	1.5
201.09117	1.0
201.12740	1.1
203.10641	2.1
205.08644	2.2
205.12372	0.3
206.09167	0.3
208.88602	0.2
209.19008	1.4
211.11096	0.3
215.10728	0.8
215.20953	0.3
217.12355	0.3
219.10138	1.4
219.13641	1.2
229.12180	0.6
233.11588	0.3
237.18472	0.5
247.13199	0.7
265.14380	1.2
271.20645	0.5
289.21506	0.6
299.20111	1.9
307.22595	1.3
317.21078	5.5
317.24713	0.4
318.21451	0.3
335.22141	55.5
336.22443	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	1.3
54.14777	0.9
55.01872	1.9
55.05262	1.3
55.05512	18.0
57.03438	18.9
57.07070	2.8
59.45213	0.9
65.03941	2.5
66.95782	1.0
67.05504	74.7
68.05828	1.8
69.06714	1.2
69.07069	19.8
69.71523	3.5
71.04956	1.4
74.56964	0.9
77.03964	1.3
79.05493	36.5
80.08800	1.0
81.07055	68.2
82.07392	1.9
83.08630	6.7
85.06520	2.8
91.05478	19.3
93.07047	39.9
94.07336	1.3
95.04968	6.0
95.08604	56.1
96.08949	1.4
97.06512	2.1
97.10167	2.9
98.98446	1.1
99.08060	1.3
105.04504	1.2
105.07027	12.3
107.08589	20.3
109.06507	2.1
109.10155	20.7
117.07005	3.0
119.08579	10.7
121.10135	19.4
123.08040	2.2
123.11694	7.1
129.06937	1.4
131.08583	7.6
133.10129	7.4
135.11682	12.3
137.13252	2.4
140.07001	1.7
145.10129	5.6
147.11639	4.3
149.13251	6.3
159.11691	4.6
161.13260	4.1
163.07520	1.0
163.14824	4.4
165.12718	1.5
173.13333	4.9
175.14816	2.0
186.36232	1.0
187.14824	2.0
237.14601	5.0
243.21106	4.2
261.22113	7.9
292.71259	1.0
317.21085	2.3
317.24649	1.6
335.21844	34.9
335.25772	100.0
336.22220	4.1
336.26096	7.8
356.91782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.01864	2.4
55.05267	1.2
55.05508	14.4
57.07073	56.1
59.05002	1.8
61.02924	2.0
62.60140	1.1
65.03923	2.8
67.05161	2.0
67.05500	33.2
69.07061	10.0
69.11607	6.6
71.04980	2.1
71.08628	25.0
72.08159	7.1
73.08480	1.7
74.68410	1.2
79.05481	15.2
81.03417	1.2
81.07056	28.3
81.31030	1.0
83.04978	5.9
83.08611	11.3
83.49794	1.2
85.10176	18.0
91.05473	13.5
93.07034	16.3
95.04960	14.6
95.08599	33.8
96.69093	1.3
97.06551	2.4
97.10171	5.6
97.37473	1.1
98.06069	5.8
98.23256	5.4
103.05469	4.1
105.07018	8.6
107.04934	5.9
107.08591	8.0
109.06531	2.4
109.10159	16.3
111.04453	8.5
115.05457	2.1
117.07001	11.5
119.08579	5.0
121.06481	11.6
121.10121	10.3
123.04407	1.1
123.08025	1.6
123.11678	4.1
125.05985	3.8
125.09577	1.2
127.03944	3.1
129.07030	1.4
131.04898	1.6
131.08554	11.9
133.06473	4.2
133.10132	3.5
134.07249	1.4
135.08035	18.2
135.11705	5.9
137.09656	1.7
139.03893	41.7
139.07521	2.0
145.06474	4.4
145.10129	4.7
147.08051	4.4
149.05971	5.9
149.09581	7.8
149.13197	2.0
150.06664	1.2
151.07516	2.8
151.14799	1.1
153.05450	3.7
153.09102	17.8
159.08017	1.9
159.11710	3.2
161.09717	1.9
162.06706	2.3
163.07541	15.7
163.11195	2.6
165.09119	4.0
165.16336	2.0
167.10664	4.7
169.15872	4.6
173.09665	1.5
173.13205	2.0
175.07578	1.4
177.09116	16.0
183.17462	4.6
191.10628	6.2
232.40630	1.0
233.22617	6.7
237.18542	1.4
247.24141	2.2
257.22610	5.2
275.23660	19.6
276.24039	2.1
285.21985	2.0
289.25253	3.6
303.23163	45.5
304.23502	3.2
307.26312	3.2
317.24713	15.8
318.25165	2.6
335.25775	100.0
335.31351	13.2
336.26022	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	335.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05265	2.1
55.05506	3.8
57.07074	66.9
58.07410	2.2
69.07040	4.8
69.15730	10.5
71.08264	2.7
71.08629	33.6
79.05473	2.1
83.08610	1.9
85.10181	18.8
89.46722	1.8
107.04944	5.6
110.03577	1.9
111.04441	18.1
123.04419	4.9
124.04747	2.0
125.05112	3.2
125.05988	40.4
139.03894	90.4
149.05898	2.2
163.07501	3.2
305.82758	1.6
335.25745	12.1
335.29379	100.0
336.26068	1.9
336.29620	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	336.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71173	1.4
52.08453	1.8
55.05503	7.6
55.08204	1.5
57.03427	8.1
57.07074	2.3
67.05503	44.4
67.56721	1.7
69.07059	4.5
69.26356	8.3
71.04998	16.3
79.05493	12.3
81.07056	77.5
83.04971	1.8
83.08618	5.9
85.06551	12.8
90.93780	1.7
91.05484	13.6
92.98077	1.4
93.07056	12.4
95.08601	6.0
97.06549	4.2
97.10206	1.5
98.97604	1.8
99.08092	3.1
105.07034	4.7
107.08598	8.3
109.06457	1.4
109.10160	6.4
111.08061	2.5
117.06985	2.1
121.10125	2.7
123.11690	15.1
131.08583	3.1
133.10136	12.7
135.11693	3.2
143.89330	1.5
149.13228	9.6
151.11140	6.9
159.11694	12.3
161.13228	3.2
169.12238	2.7
177.12723	20.1
179.14282	13.7
187.13286	12.9
195.13789	4.0
243.15910	100.0
244.16246	3.6
251.16367	4.5
269.17453	72.5
270.17786	4.4
301.20093	6.0
336.25607	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13015	2.7
55.05515	9.1
57.03431	11.7
67.05503	56.4
69.07071	9.2
70.49062	2.7
71.04996	15.5
77.09833	3.1
79.05497	13.3
81.07054	100.0
82.07402	3.4
83.08607	8.0
85.06557	15.0
91.05009	2.8
91.05486	18.0
93.07030	25.0
95.08585	9.3
97.06535	7.0
97.10180	3.5
99.08076	3.3
105.07024	8.6
107.08579	15.9
109.10138	8.3
117.06996	7.2
121.10150	3.6
123.11710	17.1
131.08553	4.5
133.10126	17.1
135.11678	7.7
149.13243	12.9
151.11176	6.6
159.11682	28.0
161.13264	6.2
169.12325	4.3
177.11331	3.6
177.12759	38.5
179.14297	12.2
187.13271	9.3
195.13806	9.6
214.35468	3.3
243.15906	99.3
244.16202	6.7
251.16438	9.5
269.17462	90.4
270.17929	3.5
301.20065	12.3
318.24142	7.0
336.25146	9.2
336.29449	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	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
61.02920	3.3
62.06083	2.7
64.95190	0.7
68.19578	0.8
69.03431	7.2
70.90560	0.8
71.43373	1.2
81.03403	2.5
81.07037	1.6
85.02892	10.4
85.06513	1.0
88.18184	0.8
93.07024	1.9
95.08604	1.8
97.02857	3.5
109.02878	2.1
120.01112	1.2
127.03946	2.3
127.63909	0.9
139.03871	1.1
141.09064	2.4
145.04906	1.1
157.02600	10.5
175.03662	36.6
176.03978	1.1
176.07066	2.2
176.12767	4.6
185.04208	45.0
186.04543	1.2
199.09517	1.4
203.05260	35.0
205.04962	1.2
206.15968	1.0
259.06009	1.2
319.07846	2.1
337.08911	100.0
338.09229	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	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
69.86647	1.2
85.02910	0.4
87.53668	0.4
98.22754	0.4
101.76225	0.3
133.96799	0.3
139.97681	0.3
173.15082	0.3
175.03658	6.8
185.04207	9.9
214.95567	0.3
234.12302	0.5
258.24774	0.4
281.77435	0.4
301.06815	0.4
308.68610	0.3
337.08920	100.0
338.09238	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	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.01859	0.8
58.93356	0.5
60.31250	0.5
61.02927	0.6
69.28468	2.5
70.47241	0.6
79.05505	2.5
91.05456	1.7
93.07040	7.3
95.04970	0.7
95.08599	0.6
97.06509	1.4
105.07072	0.6
107.08601	2.7
115.05476	0.6
116.78958	0.5
117.07006	1.7
118.31645	0.5
121.06519	1.2
125.09615	1.0
126.76746	0.5
135.08035	6.3
136.50500	0.5
137.05997	0.5
139.07559	3.7
140.07118	0.6
153.09094	3.8
155.07039	0.5
157.08586	2.0
163.07549	3.8
167.05930	0.5
175.03661	100.0
176.03998	2.7
181.08591	5.5
185.04218	13.0
186.04543	0.6
193.04733	1.4
199.09648	11.7
216.06326	0.9
217.10760	2.1
245.61549	0.5
285.09747	0.9
303.10739	0.7
319.08237	0.8
319.12753	0.7
337.08923	34.5
338.09164	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
60.05647	1.8
68.83595	1.7
70.06586	16.7
72.08163	3.0
82.47636	1.7
84.08163	1.7
89.13029	1.8
93.18984	1.6
101.00846	1.6
112.08741	1.8
114.10281	2.2
116.07046	3.2
130.09734	2.9
158.09187	1.8
175.11911	4.3
177.12878	1.6
217.01906	3.2
225.47540	1.5
242.10414	2.0
284.52567	1.7
319.12796	2.3
337.08853	100.0
337.17194	19.4
338.09253	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	337.1748
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
55.05510	4.7
57.03436	3.3
57.07064	0.9
67.05505	10.5
69.07064	6.6
69.30029	1.4
71.08631	0.5
77.23174	0.3
79.05493	2.6
81.07056	9.7
83.04997	0.4
83.08611	2.9
91.05480	1.4
93.07047	2.5
95.08601	7.1
97.06516	0.4
97.10171	1.2
98.23442	0.6
100.80413	0.3
105.07020	1.6
107.08585	1.4
109.10153	2.4
111.08025	0.4
119.08573	1.1
121.10125	0.9
123.11724	1.8
127.57365	0.3
128.05504	0.3
133.10132	1.2
135.11650	0.7
137.13232	0.5
145.84412	0.3
147.11661	0.7
161.13202	0.5
163.07356	0.3
163.14787	0.5
173.05522	0.5
175.14810	0.6
179.28944	0.3
212.75574	0.3
245.22491	0.4
263.23764	0.8
267.71078	0.3
337.17484	100.0
337.27243	15.7
338.17807	8.5
338.27545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46317	0.1
53.00310	0.2
53.03936	0.3
54.84273	0.1
55.01869	1.1
55.05511	6.0
57.03433	1.2
57.07073	1.5
59.04986	0.4
61.66168	0.2
65.03925	0.9
66.92581	0.1
67.05503	11.6
68.05826	0.3
68.99794	0.4
69.03439	0.2
69.07069	5.0
70.69009	0.2
71.04983	0.5
71.08630	27.8
72.08969	0.6
77.03928	0.4
79.05492	2.9
81.03424	0.6
81.07056	10.3
82.07384	0.2
83.08620	5.8
85.06532	0.4
85.10174	0.4
91.05482	1.0
92.05760	0.2
93.07046	1.5
95.04967	5.6
95.08606	7.0
96.08926	0.3
97.06537	0.4
97.10165	1.9
98.22805	0.2
99.08092	18.3
100.08437	0.5
103.05474	0.6
104.89074	0.2
105.03420	0.3
105.04538	0.2
105.07028	1.2
107.04954	2.5
107.08613	0.8
109.02877	3.9
109.06516	1.0
109.10152	3.3
110.03657	0.4
110.10540	0.2
111.04452	0.5
111.11730	0.5
115.05415	0.5
115.11304	0.2
117.07013	0.5
119.04988	0.3
119.08582	0.6
121.06519	2.3
121.10160	0.9
122.03635	0.2
123.04428	100.0
123.11700	1.1
123.21595	0.2
124.04762	3.3
125.05991	2.2
125.13270	0.4
126.03132	1.9
127.11181	1.7
127.14664	0.2
128.06192	0.2
129.07008	0.7
131.04956	0.3
131.08612	0.3
133.06493	1.0
133.10120	0.3
135.04407	1.1
135.08052	1.0
135.11713	0.2
137.05977	14.8
137.13255	0.5
138.03140	0.3
138.06305	0.5
139.03880	2.2
139.14877	0.4
140.04689	0.2
141.05481	1.9
141.12740	0.3
143.04907	0.2
145.06519	0.8
145.10100	0.2
147.04405	2.3
147.08035	1.0
148.05222	0.3
149.05977	29.3
150.06323	1.2
151.07576	0.5
151.14841	0.6
153.05469	7.5
154.05783	0.3
157.06476	1.5
160.05208	1.0
161.05980	7.3
161.09608	0.9
162.06346	0.3
163.07542	18.3
163.14845	0.3
164.07892	0.7
165.16394	0.7
167.07028	0.4
171.08090	0.4
173.09612	0.8
174.06755	0.4
175.07539	14.1
176.07845	0.9
177.09106	1.5
177.16357	0.9
179.07111	0.4
179.17928	0.3
185.09589	0.6
189.09099	14.0
189.12769	0.7
190.09482	0.6
191.10600	0.7
193.08641	1.0
195.17430	1.8
197.19005	1.0
199.11224	0.2
203.10667	5.2
204.10963	0.4
205.12241	0.6
207.10124	0.2
217.12233	1.7
218.12567	0.3
219.13823	0.6
227.28699	0.1
231.13763	0.5
245.15385	0.3
259.16843	0.2
269.18930	0.3
270.21518	0.2
271.50909	0.1
287.20038	8.9
288.20355	0.7
301.21597	0.8
305.21100	8.1
306.21436	0.6
319.22641	1.0
337.23737	23.9
337.27423	3.2
338.24072	2.1
338.27802	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	337.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.03456	1.2
57.07074	1.6
67.05506	6.6
68.99820	1.2
69.07065	1.9
69.28723	4.5
81.07046	1.7
85.02904	1.3
91.05486	1.0
95.04959	7.3
95.08608	1.3
98.03683	1.4
101.87982	0.9
105.03403	1.3
113.06076	1.1
115.04635	0.9
119.04919	1.1
123.04432	21.8
123.05286	1.8
126.03119	8.7
133.06502	1.3
139.03868	2.3
140.04604	0.9
141.05466	27.7
147.04454	2.2
153.05498	1.3
154.02632	5.8
161.05969	1.0
168.04124	1.4
169.04961	100.0
170.05321	3.0
179.07039	3.1
193.08592	5.0
287.20230	1.5
337.23676	13.9
337.32666	1.5
359.74481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	Cervicol
Peak:m/z	Relative Intensity
50.95950	0.6
55.05506	2.5
57.03453	0.7
57.07071	1.5
60.01478	0.7
63.39206	0.7
65.65938	0.8
67.05498	7.0
69.07067	1.4
69.40477	1.7
69.40884	2.2
79.05491	0.9
81.07056	2.0
83.01310	1.1
91.05450	0.9
94.78419	0.7
95.04952	6.8
95.08602	0.9
97.70493	0.7
98.03677	0.7
105.07054	0.7
113.23522	0.7
123.04431	22.2
125.06019	0.7
126.03129	7.9
133.06462	0.9
139.03885	1.8
141.05453	27.9
142.05795	0.9
147.04398	1.5
147.07996	1.1
153.05466	2.3
154.02585	4.5
161.06013	0.8
168.04184	1.9
169.04956	100.0
170.05296	3.6
179.07010	2.6
189.09097	0.9
193.08578	4.4
337.23856	10.6
338.23972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	Topsentolide B3
Peak:m/z	Relative Intensity
55.05502	3.3
67.05502	9.5
67.60206	0.8
69.07047	2.7
69.80536	2.6
71.04978	1.2
74.89686	1.0
79.05497	4.0
81.07050	10.7
83.01329	2.2
83.08588	1.2
85.06537	2.4
91.05460	3.0
93.07024	3.5
95.04951	1.0
95.08603	12.1
97.81296	0.8
98.22711	0.9
98.97572	1.0
105.07026	1.1
107.08553	1.2
109.06502	3.1
109.10146	3.0
121.06513	1.4
121.10116	2.4
125.05971	2.6
131.08487	0.8
135.08101	1.2
137.05971	100.0
138.06310	3.0
145.06407	0.9
145.10121	1.4
149.09589	1.3
151.07500	4.4
163.07526	15.2
175.07587	1.1
177.09097	25.2
188.23489	0.9
188.51596	1.0
191.10666	9.1
192.91869	0.8
203.10550	1.0
205.12263	2.6
301.21664	3.1
305.07822	1.3
314.16254	1.3
319.19019	0.8
319.22647	18.9
320.22668	1.2
337.10681	2.3
337.23795	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	Topsentolide B2
Peak:m/z	Relative Intensity
53.03940	0.7
55.01859	1.0
55.05513	11.4
55.05782	0.7
57.03180	0.5
57.03440	4.8
57.07076	2.2
59.04997	0.5
65.03936	1.2
67.05505	23.8
68.05835	0.5
69.03422	0.5
69.07069	14.3
69.11723	0.3
69.63524	1.1
71.04964	0.7
71.08631	20.8
71.15691	0.3
73.06570	0.3
79.05040	0.5
79.05493	7.7
80.94863	0.3
81.07057	28.2
82.07391	0.5
83.01343	0.5
83.04975	0.8
83.08620	8.3
85.06534	0.7
85.10175	0.6
91.05479	4.2
93.07037	5.8
93.13406	0.3
94.07346	0.4
95.04976	1.8
95.08608	16.6
96.08972	0.7
96.92228	0.4
97.06512	1.6
97.10174	3.9
99.07449	0.7
99.08096	12.8
100.08409	0.3
104.99265	0.7
105.07027	2.5
107.08586	3.8
109.06521	4.9
109.10152	7.8
111.08061	0.5
111.11723	0.7
117.06992	0.6
119.04892	0.4
119.08595	2.3
121.06482	0.9
121.10162	3.0
123.04417	4.1
123.08086	0.6
123.11706	2.3
125.05980	2.6
125.09624	0.6
127.11183	0.7
128.06255	0.4
129.06989	0.4
131.08554	0.7
133.06522	0.3
133.10130	1.9
135.08046	0.3
135.11694	1.6
137.05978	100.0
137.13283	0.9
138.06317	3.3
139.11203	0.3
141.05434	2.5
143.08600	0.8
145.06480	0.8
145.07628	0.3
145.10048	0.3
147.07994	0.7
147.11691	1.0
149.13228	0.8
151.07568	1.7
151.11200	0.5
151.14822	0.6
153.05469	6.7
154.05917	0.5
155.68602	0.3
157.06490	0.4
157.10190	0.3
159.08037	0.4
161.06009	0.7
161.09589	0.4
161.13268	0.7
163.07544	13.0
163.14841	1.0
164.07997	0.4
165.77264	0.3
171.08009	2.0
174.06767	0.4
175.07526	3.1
175.11189	0.3
175.14810	0.9
177.09111	5.8
177.16409	1.1
185.09627	2.0
187.11105	0.6
189.09084	7.6
190.09468	0.6
193.08624	0.6
195.17468	2.6
197.18942	0.6
199.11191	0.8
203.10666	6.5
205.12262	0.5
217.12216	1.9
219.13925	0.4
231.13753	1.4
245.22578	0.4
249.14763	0.7
263.23755	0.8
265.00723	0.3
283.20547	1.2
291.23303	0.7
292.51349	0.3
301.21609	7.7
302.21954	0.8
314.88632	0.3
319.18845	0.6
319.22659	7.4
319.25961	0.3
320.22964	0.8
337.10278	0.5
337.23657	23.7
337.27408	29.5
338.24326	2.2
338.27258	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01877	1.1
55.05513	24.5
55.93615	0.6
57.03440	17.6
57.07072	4.6
59.05000	0.6
65.03940	1.4
67.05505	57.8
68.05834	1.0
69.07066	28.8
71.04980	2.2
71.08630	2.4
75.37904	0.5
79.05492	13.1
81.07057	56.1
82.07383	1.7
83.04980	1.2
83.08621	17.3
85.06542	1.8
85.10165	1.4
89.06005	0.7
90.60016	0.5
91.05480	9.8
93.07045	15.4
95.04997	1.0
95.08607	46.3
96.08927	0.8
97.06535	3.1
97.10163	8.4
98.23459	1.9
98.70238	0.6
99.08093	1.8
101.06044	0.6
104.99278	1.2
105.04504	0.9
105.07030	6.8
107.08591	8.4
109.06528	1.0
109.10153	21.0
110.10453	0.6
111.08084	2.0
111.11717	1.9
113.09628	0.7
117.07027	0.8
119.08591	6.1
121.10150	7.3
122.53150	0.5
123.04469	0.6
123.08055	0.9
123.11700	8.9
125.09560	0.9
131.08585	0.8
133.10126	5.6
135.11679	4.3
137.06006	0.6
137.09637	0.7
137.13243	4.5
147.11696	4.9
149.13260	3.3
151.11256	0.7
151.14842	1.4
153.12717	0.7
161.13242	3.6
163.14818	2.5
165.16368	0.8
175.14864	1.6
177.16414	1.1
181.16016	0.6
189.16302	1.3
193.32788	0.6
203.17740	0.5
223.47035	0.6
245.22644	3.6
263.23700	5.4
296.15305	0.5
319.26410	0.7
337.27362	100.0
338.23938	0.9
338.27744	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03944	1.4
54.67435	1.4
55.01854	2.6
55.05512	25.8
55.84897	1.4
57.03443	18.2
57.07066	4.9
63.01847	1.7
65.03934	1.9
66.90431	1.2
67.05505	56.1
69.07071	34.6
69.11226	9.2
71.05008	1.8
71.08621	2.9
71.81556	1.4
79.05491	17.9
80.94857	1.8
81.07057	53.7
82.07392	1.6
83.04978	1.7
83.08622	18.3
85.10173	1.5
91.05473	11.2
93.07053	17.2
93.08004	1.7
95.04961	2.1
95.08601	49.2
96.92208	3.0
97.06512	3.0
97.10167	7.3
104.99274	2.9
105.07026	6.1
107.08584	6.9
109.10165	15.0
111.08063	2.7
119.08572	5.3
121.10108	7.6
121.86157	1.5
123.04405	1.7
123.11714	8.2
132.03226	1.6
133.10135	5.2
135.11655	2.7
137.06001	3.4
137.09592	1.9
137.13239	2.9
147.11720	2.5
149.13231	2.9
153.05466	1.4
203.66443	1.6
263.23715	2.8
309.31723	1.6
337.10400	6.5
337.23633	8.0
337.27362	100.0
338.27707	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	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.57872	0.7
53.03939	0.9
54.58865	0.6
55.01879	1.8
55.05515	26.5
57.03439	16.4
57.07068	4.9
58.45964	0.6
59.04994	0.7
63.28842	0.7
65.03937	2.4
67.05506	57.7
68.05828	1.1
69.07069	34.3
69.07447	1.8
70.06594	0.9
70.07412	0.9
70.51372	1.5
71.04997	1.5
71.08625	3.0
79.05497	15.1
80.94798	1.1
81.07058	55.7
82.07391	1.8
83.04992	2.4
83.08620	15.0
85.06536	2.3
88.07643	1.5
91.05479	8.7
93.07054	12.4
95.05002	0.8
95.08605	40.5
96.08905	1.5
96.92237	1.6
97.06561	3.6
97.10171	8.6
98.97583	0.7
99.08081	2.1
100.08449	0.8
102.09174	1.4
103.27380	0.7
104.99284	1.7
105.07024	6.8
107.08596	6.9
109.10159	13.6
111.08076	2.6
111.11716	1.9
119.08576	5.8
119.32058	0.8
121.10138	6.8
123.08054	1.4
123.11707	7.8
125.09637	1.3
133.10139	5.4
135.11676	4.4
137.13179	1.5
147.11674	3.4
149.13240	2.6
151.03888	1.6
151.14841	1.2
153.04500	1.0
161.13248	3.3
163.14786	1.5
165.16310	0.9
175.14815	2.0
177.16377	0.8
189.16397	1.1
194.02737	0.9
218.71750	0.9
245.22722	1.6
263.23642	2.4
337.10440	1.7
337.27341	100.0
338.27667	8.6
338.34082	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	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.23685	0.4
51.69028	0.3
53.03947	1.1
55.01871	1.3
55.05511	28.3
55.90152	0.3
56.05851	0.5
57.03436	18.8
57.07073	5.0
59.04984	0.4
65.03927	1.9
67.05503	63.1
68.05849	1.0
69.03420	0.5
69.07066	33.4
70.07400	0.7
71.05000	1.3
71.08630	2.7
79.05490	16.3
81.07056	61.5
82.07384	1.7
83.04984	1.4
83.08617	18.9
84.08988	0.6
85.06542	1.6
85.10186	0.8
86.83609	0.3
91.05475	10.4
92.05782	0.4
93.07047	15.7
94.07339	0.4
95.04980	1.1
95.08603	53.9
96.08958	1.6
97.06524	3.4
97.10166	9.5
99.08068	1.8
104.99259	0.7
105.04576	0.8
105.07032	7.2
107.08591	8.7
109.06506	1.2
109.10155	21.1
110.10513	0.7
111.08092	2.3
111.11714	2.5
113.09622	0.6
117.07007	0.4
119.08573	6.2
121.10141	8.1
123.08098	1.0
123.11706	8.6
125.09635	1.6
125.13244	0.5
127.11121	0.5
133.10133	6.5
135.11693	4.5
136.59929	0.4
137.05978	0.5
137.09604	1.3
137.13258	3.7
139.11159	0.5
147.11681	4.1
149.13240	3.1
151.11186	0.9
151.14851	1.7
153.12701	0.4
161.13268	3.6
163.14806	2.3
165.12804	0.6
165.16423	0.8
173.03224	0.3
175.14836	2.6
177.16412	0.8
179.14388	0.4
179.17949	0.5
181.15866	0.5
189.16367	0.9
207.17406	0.4
241.96750	0.4
245.22656	3.1
263.23691	5.6
283.54617	0.5
319.26147	0.6
324.13678	0.4
337.27350	100.0
338.27740	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	337.2737
Annotation	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol
Peak:m/z	Relative Intensity
55.05510	17.1
57.07071	3.7
67.05505	46.2
69.06725	2.8
69.07061	40.7
71.05016	3.0
73.39787	2.7
79.05500	18.8
81.07058	60.1
83.04967	3.1
83.08615	11.2
84.81253	2.6
85.34891	2.4
91.05488	12.3
93.07035	23.8
95.04958	3.1
95.08021	5.5
95.08604	84.8
96.08940	3.0
96.92229	6.3
97.10172	4.0
98.22723	7.9
98.97583	6.8
105.07026	12.9
106.83961	2.7
107.08590	25.4
109.10167	34.1
111.08041	3.2
116.98648	4.5
117.07040	3.3
119.08581	10.5
121.10153	18.7
123.08063	13.7
123.11700	10.2
131.08609	4.9
133.10152	10.1
135.08041	48.5
135.11690	10.6
137.09645	8.2
137.68263	2.7
141.09085	3.3
145.10138	5.2
147.11670	8.9
149.09639	6.2
149.13260	10.2
159.11676	7.5
161.09630	6.4
161.13220	5.4
163.14809	8.7
168.24490	2.7
175.11200	8.7
175.14803	4.5
177.12798	5.2
189.47931	2.8
191.14288	3.2
233.18987	3.2
273.25745	7.5
283.24188	7.9
301.25229	100.0
302.25647	8.5
319.22586	5.2
319.26273	61.8
320.26343	5.5
337.22900	8.8
337.27429	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	337.2739
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.06106	0.2
51.02366	0.3
51.73527	0.2
53.03945	1.3
55.01865	1.2
55.05510	31.9
56.05837	0.6
57.03436	20.7
57.07072	4.2
57.58976	0.2
58.03787	0.4
59.05000	0.5
62.20468	0.3
63.29058	0.3
64.51088	0.2
65.03947	1.8
67.05502	65.4
68.05836	1.4
69.03432	0.5
69.07066	38.8
70.07396	0.7
70.69449	0.4
71.04993	2.0
71.08629	2.2
73.03997	0.2
73.06561	0.4
77.03915	0.4
79.05490	16.9
80.05824	0.3
80.94870	0.2
81.07054	60.5
82.07414	1.6
82.63175	0.2
83.04983	1.8
83.08617	17.9
84.08960	0.2
85.06525	1.7
85.10172	0.9
91.05479	10.6
93.07043	17.1
94.07379	0.4
95.04968	1.9
95.08603	44.7
96.08946	1.2
96.92239	0.3
97.06528	3.7
97.10160	8.7
98.97581	0.4
99.08085	1.6
101.06016	0.3
104.99298	0.4
105.04523	0.4
105.07023	7.6
107.08588	8.3
109.06513	1.1
109.10152	17.1
110.10503	0.4
111.08064	1.8
111.11716	1.7
113.09649	0.5
119.08574	6.6
120.08912	0.2
121.10144	7.2
123.08066	1.0
123.11699	7.0
125.09595	1.1
127.11179	0.4
128.83240	0.3
131.08551	0.4
133.10121	6.3
135.11678	3.9
137.09583	1.1
137.13251	2.8
139.11180	0.6
147.11688	3.7
149.13274	1.9
151.11191	0.7
151.14833	1.2
153.12791	0.6
161.13245	2.7
163.14835	1.8
165.12769	0.5
165.16328	0.5
169.04961	0.3
175.14832	2.0
177.16394	0.6
179.14291	0.6
179.18008	0.3
181.15753	0.3
189.16360	0.8
193.15846	0.4
203.17867	0.4
207.17404	0.4
221.19102	0.3
235.86650	0.3
240.99608	0.2
245.22717	1.4
258.53848	0.3
259.36316	0.2
263.23703	3.2
264.24054	0.3
280.53430	0.2
337.27341	100.0
338.27682	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	338.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.07059	2.4
57.12904	0.8
58.06589	1.2
61.02633	1.4
61.02927	21.3
61.08866	0.7
67.05506	37.6
69.70467	2.7
71.01349	17.5
71.04996	1.4
71.81628	0.8
81.07022	1.0
84.04501	4.3
85.02900	2.4
85.06541	22.3
85.79912	0.9
88.33131	0.8
95.04949	8.1
98.23476	1.6
98.97600	1.3
100.11266	1.6
103.03940	100.0
104.04257	2.4
113.02370	24.8
113.06007	34.9
118.59681	0.8
120.08108	1.1
131.03398	30.0
131.07039	12.8
139.54599	0.9
140.10719	2.6
149.04448	2.4
154.12256	4.0
159.52115	0.8
163.06018	90.5
164.06422	1.6
168.10207	2.4
171.14885	1.8
200.27547	0.9
243.08647	7.2
257.10226	5.2
271.08286	1.9
274.97626	1.8
275.11215	6.1
281.18588	2.1
289.09183	2.4
303.10751	14.1
304.11133	1.2
328.91440	0.9
338.24380	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	338.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.05500	1.6
57.03426	0.7
67.05503	6.0
68.68453	0.7
69.03418	0.9
69.07066	15.2
69.69016	2.5
71.63757	0.6
72.15514	0.6
73.06552	2.1
79.05486	1.3
81.07049	11.3
81.44950	0.6
85.02902	7.4
90.92993	0.6
91.05485	0.9
93.07050	3.6
95.08604	100.0
96.08932	2.5
96.35531	0.7
97.06512	3.8
99.04472	0.8
99.08094	3.2
103.03943	0.8
107.08597	1.1
113.09630	4.8
115.07571	14.9
117.07037	0.9
123.08064	31.9
127.03938	0.7
135.08064	1.8
139.07523	0.9
141.09099	56.3
142.09462	2.2
151.96483	0.7
153.09090	2.0
153.10240	1.4
159.10165	35.6
160.10553	1.3
163.07552	1.1
166.07637	0.6
168.14331	0.6
181.08612	1.0
182.13841	0.7
195.11508	0.6
199.09700	3.7
217.10655	0.8
290.93149	0.7
333.16980	0.7
338.12134	1.6
338.19730	1.5
356.11792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68525	1.0
55.05515	4.5
55.67521	1.0
57.03437	2.7
60.34401	0.9
61.02949	1.1
67.05508	12.2
68.80830	1.0
69.07079	9.8
70.75590	1.0
71.04998	2.0
81.03461	1.0
81.07070	3.2
85.02905	8.8
85.06557	3.7
93.07047	4.7
95.08606	97.3
96.08932	2.9
97.02905	1.8
99.04472	3.8
113.09657	2.7
113.38919	1.3
115.07578	1.3
123.08073	59.1
124.08394	2.2
135.08023	1.2
141.09103	100.0
142.09474	2.1
159.10164	9.4
199.09637	2.0
288.87137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50654	4.8
55.01894	6.2
55.05513	71.6
55.80579	4.6
57.03461	5.2
62.08282	5.2
63.63698	5.5
67.05503	28.4
69.03430	12.5
69.07066	16.8
69.26623	11.2
69.27030	19.8
74.15617	5.1
79.05500	34.5
81.07053	27.0
83.04995	6.4
83.08618	38.0
87.23236	4.7
90.52976	4.6
91.05478	42.3
93.07039	27.4
95.04987	5.3
95.08624	5.5
96.37301	4.4
97.10172	100.0
98.23512	9.2
98.61803	5.3
98.97581	41.0
105.07021	9.4
107.04954	8.5
107.08594	35.4
116.98612	29.8
117.07030	23.8
119.08570	45.1
119.09187	4.4
119.30858	5.9
121.06524	8.0
124.72952	5.5
125.09643	83.7
131.08566	5.7
133.06442	6.2
134.99660	10.8
135.08038	29.1
140.70226	4.8
143.08565	7.7
145.06506	18.9
147.08060	12.2
153.09122	18.2
159.08064	17.2
161.09633	11.1
163.07507	8.5
165.72420	5.4
173.09669	5.3
189.11331	9.9
198.98955	9.3
203.12776	97.2
218.21745	5.5
253.15791	8.1
256.96390	14.6
271.16956	61.9
271.56622	5.1
274.97421	70.3
289.17902	13.1
292.98572	34.6
293.80420	5.8
297.99240	8.9
303.19476	69.6
304.19772	8.9
338.26926	11.3
338.96820	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
69.03423	2.7
71.43987	1.2
77.50620	1.2
81.03394	1.7
81.07040	1.9
85.02895	5.4
86.09669	1.4
95.04991	1.4
97.02869	1.6
97.06525	2.7
98.97568	6.3
108.08118	1.3
108.41348	1.2
116.94894	1.2
116.98608	2.1
125.05994	4.0
131.40791	1.5
132.95898	1.3
134.99724	1.8
143.03018	1.2
143.07030	3.4
143.61737	1.1
161.08116	7.3
177.01630	9.2
177.06578	10.9
185.04208	64.4
186.04463	1.6
274.97507	4.3
292.98499	3.8
298.45609	1.2
303.10519	2.2
321.05823	8.1
321.09131	1.4
339.06879	100.0
339.11215	5.2
339.15613	2.7
340.06546	2.7
340.10410	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	339.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	0.9
69.03432	0.6
69.41153	1.8
69.41545	1.5
79.05487	0.6
81.07036	1.7
83.79369	0.6
87.04450	1.9
91.05486	0.8
93.07048	1.2
95.08648	0.7
97.04758	1.3
98.97584	5.1
105.07012	1.4
107.08578	0.8
116.98592	2.2
117.07024	0.8
127.00018	3.0
127.05746	3.1
133.10094	0.9
137.05104	0.7
137.05988	4.6
139.03844	0.7
145.02914	0.7
145.10158	1.0
151.07567	0.7
159.07991	0.8
161.05966	1.1
169.06871	0.9
169.57672	0.6
177.05505	1.7
177.09196	0.8
177.14653	2.1
187.07910	6.9
189.05435	0.7
191.10400	4.9
195.15582	1.3
196.45338	0.7
198.98886	0.8
205.09045	1.0
211.08098	1.1
229.09109	1.2
235.09386	11.8
251.12540	0.7
253.10434	6.2
256.96460	1.2
271.10281	1.0
274.97510	6.1
292.98605	1.7
295.11511	13.7
339.10501	100.0
339.19733	20.4
340.10736	6.6
340.20145	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.1
51.02384	0.2
53.03944	0.5
55.01863	0.2
55.05508	0.2
57.03433	0.6
61.02921	0.2
62.01600	0.1
63.02366	0.2
65.03937	3.1
66.04287	0.0
67.05521	0.1
68.99773	0.2
69.03424	3.2
70.03735	0.0
71.01374	0.1
71.04991	1.0
71.45445	0.0
73.02908	0.1
79.05504	0.2
81.03414	5.3
82.03757	0.1
83.04982	0.4
85.02901	2.6
87.00830	1.0
87.04501	0.1
91.05474	100.0
92.05802	3.0
95.05004	0.0
95.08599	0.1
97.02261	0.1
97.02890	0.8
99.04447	1.7
103.03835	0.1
103.05439	0.1
105.01856	0.3
105.07034	0.2
107.04952	0.2
109.02870	3.4
110.03239	0.1
111.04434	0.5
113.02313	0.1
115.03921	0.1
115.05437	0.1
117.07029	0.3
119.04984	0.1
125.02339	0.1
125.05951	0.1
127.03906	6.0
128.04236	0.1
128.06221	0.2
129.01854	0.2
129.05475	0.4
129.06953	0.4
131.04910	0.1
131.08545	0.1
132.07986	0.1
133.06474	0.1
139.03874	0.1
141.06975	0.1
143.03430	0.1
143.08556	0.3
144.06551	0.0
145.04964	0.1
145.06416	0.3
151.07559	0.0
153.06941	0.2
155.04851	0.1
155.06053	0.1
157.06502	0.1
159.07996	0.1
164.10632	0.1
171.08017	0.3
173.04596	0.0
173.05991	0.1
175.07545	0.1
177.05402	0.1
179.07021	0.0
181.06447	0.1
187.07588	0.0
189.09183	0.1
191.03506	0.0
199.07539	0.4
201.03899	0.1
213.03912	0.1
215.05504	0.1
217.08607	0.4
219.02887	0.1
231.04994	0.5
257.11652	0.1
303.12247	0.1
321.09680	0.1
321.13239	0.1
339.14203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1544
Annotation	Aziridyl benzoquinone
Peak:m/z	Relative Intensity
55.05510	10.1
57.03436	6.1
57.07074	5.5
61.53247	0.7
67.05500	9.2
68.05830	0.8
69.06709	1.1
69.07064	14.9
70.06596	0.7
71.04980	1.1
71.08619	2.2
77.16399	0.7
79.05472	3.4
81.07055	9.4
82.07378	1.0
83.04928	0.8
83.08612	8.7
85.06541	0.8
85.10162	0.9
88.85223	0.7
90.20000	0.7
91.05480	1.6
93.02579	0.7
93.07040	4.6
95.08604	8.2
96.08961	1.3
97.10162	4.6
100.90745	0.8
107.08617	3.3
109.10166	3.7
109.14985	0.9
111.11713	1.2
121.10130	3.9
123.11724	1.1
128.69987	0.6
135.11673	2.5
135.27463	0.7
139.03914	1.5
142.93845	1.8
147.94708	0.8
149.13260	1.6
150.03265	0.7
157.50459	0.8
163.92644	0.6
207.09303	0.8
247.24451	1.1
265.25183	1.0
294.44403	0.8
338.27557	1.7
339.15396	100.0
339.28912	30.5
340.15674	7.5
340.29388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1907
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
55.05508	0.7
56.96562	0.3
57.07078	0.4
59.62626	0.4
61.74748	0.4
62.98261	6.4
64.48926	0.4
67.05495	1.3
69.75412	0.9
79.05492	0.7
81.07046	1.2
83.55417	0.3
88.95180	0.3
91.05489	0.9
93.07048	1.4
95.08611	1.1
98.97591	2.4
105.07005	0.6
105.78201	0.3
107.08617	0.8
109.06498	0.4
109.10174	0.6
116.98611	1.0
119.08611	0.4
121.10102	0.3
124.86562	0.3
134.99637	0.5
135.11655	0.5
145.10120	0.5
147.11638	0.4
217.08144	1.0
228.42825	0.4
232.96196	0.5
247.20560	1.1
256.96304	0.6
274.97525	3.1
292.98520	1.5
294.18497	0.6
297.99149	0.5
299.18591	0.8
315.18109	0.6
317.19489	2.5
321.17984	6.8
335.20605	1.0
339.19061	100.0
340.19266	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	339.2895
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03936	1.5
55.01873	0.6
55.05512	27.4
56.05841	0.4
57.03187	0.7
57.03441	10.8
57.06818	0.7
57.07078	9.5
62.16251	0.4
65.03918	0.5
67.05166	0.9
67.05505	15.9
69.07068	34.0
69.48136	0.8
69.48524	1.0
70.07404	0.7
71.04998	0.9
71.08628	5.0
79.05491	7.1
80.05808	0.4
81.07059	18.8
82.07379	0.5
83.05006	0.6
83.08125	1.0
83.08620	19.4
84.08918	0.5
85.06528	1.2
85.10194	2.3
91.05474	1.5
93.07045	9.5
95.08606	18.4
95.09219	0.9
96.08917	0.7
96.68349	0.4
97.06549	3.1
97.10171	10.7
99.08126	1.0
105.07000	0.8
107.08589	6.5
109.06570	0.4
109.10146	7.8
111.08076	1.4
111.11698	3.0
119.08529	0.6
121.10145	8.0
123.11709	2.4
125.09640	0.8
135.11682	5.1
137.13257	1.0
139.11147	0.8
149.13251	2.6
151.14810	0.8
153.12769	0.6
159.11656	0.5
163.14836	1.3
167.14163	0.5
169.03052	0.6
177.16403	0.7
177.74756	0.5
204.00621	0.4
204.30814	0.4
247.24194	1.5
265.25317	2.7
339.28931	100.0
340.29248	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	340.048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.1
56.94293	1.8
72.93797	5.6
79.05488	2.0
81.07063	7.7
85.02892	2.3
90.94868	2.0
91.05464	3.9
93.07050	2.0
100.93900	1.6
109.06526	3.7
119.08586	4.9
128.96350	3.1
135.08109	2.1
137.05986	6.7
137.08417	2.1
138.98412	3.8
143.10683	1.9
144.92915	1.5
150.98434	2.2
154.97913	3.0
160.07573	6.2
164.99960	3.1
166.12274	3.6
166.97932	5.2
168.99480	6.5
170.97470	3.4
172.98932	2.3
178.08702	1.8
178.97905	2.1
180.99548	5.3
182.97450	2.0
183.01022	3.0
184.98996	6.5
187.00563	4.1
188.98459	2.0
189.02249	1.8
192.99583	2.6
194.97412	2.5
195.00957	2.2
196.99030	4.3
198.96927	1.8
199.00485	14.5
200.98442	3.1
202.97954	3.1
202.99825	1.8
204.99478	2.0
207.01093	7.1
208.07915	1.8
208.98956	3.3
209.02586	6.1
211.00574	2.4
212.98506	4.7
215.00024	2.0
217.01570	9.3
220.99045	2.1
223.00534	6.0
224.98445	3.2
225.02054	7.4
226.99983	8.6
227.03680	3.5
235.00493	8.4
236.98503	1.9
237.02116	4.7
239.00002	4.1
243.03133	1.9
244.55774	1.7
245.01047	7.6
247.33640	1.7
247.36221	1.6
253.01582	22.1
255.03160	2.8
263.00064	5.6
271.02634	64.0
272.02921	2.5
281.00989	17.5
296.14944	6.1
299.02094	100.0
300.02328	5.9
317.03180	32.8
318.03339	2.3
322.03772	2.3
323.12549	3.2
340.04730	3.0
340.10330	2.4
340.13669	24.0
340.17636	9.1
341.11816	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	340.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35828	0.5
62.43088	0.7
65.13624	0.6
70.54767	0.7
70.55106	1.2
94.87977	0.6
95.72423	0.5
97.02883	0.6
110.07113	0.8
113.11942	0.7
127.89334	0.7
139.03879	2.4
141.71696	0.6
143.94244	0.6
178.04756	0.8
181.96518	0.8
279.96503	1.0
280.30225	0.8
298.05795	0.9
305.06555	0.7
340.10046	100.0
341.10297	5.3
359.02173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20643	3.1
55.05502	7.4
56.22224	4.3
56.85364	3.2
57.03433	14.6
60.05642	5.5
60.93916	3.8
61.02918	4.2
62.06086	5.8
67.05508	7.6
69.03443	27.6
69.07090	4.3
69.76913	11.7
70.06583	8.8
71.01360	56.5
71.04991	10.6
73.02887	4.0
79.05494	8.9
81.03422	7.3
83.01332	4.7
83.04986	59.4
84.08138	15.6
85.02404	7.1
85.02905	100.0
86.09721	9.3
87.04473	8.0
95.04961	10.5
97.02885	13.6
97.06555	20.2
98.22803	4.0
99.04444	12.0
107.04951	4.7
109.02910	7.9
110.07184	11.9
111.04438	39.1
113.02396	10.1
113.05952	8.3
115.03923	4.9
116.07114	13.9
117.01888	22.2
125.05988	9.8
127.03970	8.0
129.05469	5.4
130.08685	7.1
132.04816	3.5
141.01839	6.1
143.03412	9.4
143.07010	20.9
156.07700	9.7
157.04959	44.8
160.09668	6.2
161.04492	17.1
163.13654	3.3
171.06520	91.7
172.06900	3.6
175.06018	31.4
178.05281	10.2
178.10735	11.3
179.03421	3.7
189.07544	24.4
193.10811	5.7
230.08809	5.2
243.97159	3.5
248.03990	4.3
287.07669	4.9
340.09424	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51176	1.1
53.03935	4.0
55.01876	5.3
56.43211	1.0
57.03447	6.3
61.02915	4.7
65.27628	1.1
68.99789	1.8
69.03429	39.0
69.09121	4.9
69.09525	2.6
71.04988	4.2
73.02923	5.7
81.03418	20.1
85.02905	100.0
86.03234	1.5
87.00830	47.5
91.03957	2.0
97.02892	33.1
98.27383	1.0
99.04443	11.9
105.01869	77.8
108.04488	2.4
109.02185	2.1
109.02883	28.8
115.03931	1.4
126.05463	1.3
127.03918	69.5
128.04272	1.5
129.01845	3.3
145.04962	36.6
147.02820	1.5
158.36522	1.0
159.02892	11.7
169.52631	1.0
177.03984	1.1
177.87920	1.1
189.03932	4.4
195.63246	1.2
213.04083	2.5
228.23610	1.1
231.04996	25.7
232.05411	1.6
249.06070	10.1
341.12396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44918	1.1
53.03939	4.6
55.01867	6.3
57.03431	5.0
61.02935	6.5
68.80811	1.1
68.99814	1.3
69.03067	2.0
69.03432	34.8
70.19764	1.1
71.04996	3.2
73.02913	6.0
81.03416	22.1
85.02905	100.0
86.03217	2.2
87.00831	50.9
97.02895	31.9
99.04459	10.5
105.01869	86.9
108.04488	3.2
109.02875	25.9
117.01849	2.0
126.05563	1.4
127.03915	74.9
128.04277	1.4
129.01854	2.7
145.04958	37.9
147.02888	2.2
159.02881	14.6
171.02902	1.3
189.03963	4.0
198.95096	1.1
213.03831	2.8
231.04990	23.8
249.06020	7.5
305.12393	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.0
66.29619	0.8
66.98321	0.9
69.03440	1.7
69.07071	5.2
70.24629	1.0
70.24959	2.0
81.03419	1.2
83.08625	1.7
85.02905	7.3
89.82587	0.8
97.02921	2.0
97.10172	77.3
98.10498	1.0
100.11244	1.6
112.68199	0.8
125.09628	19.7
126.92683	0.9
127.03923	1.3
137.06032	1.9
143.10678	100.0
144.11026	3.2
145.04944	1.0
161.11740	14.2
170.60593	0.9
178.04953	1.1
179.03366	1.4
323.12845	1.3
340.26108	2.0
341.15808	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	340.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05509	22.6
61.02925	0.9
69.03421	2.7
69.07066	6.8
69.46930	2.5
81.06628	0.8
82.46420	0.7
83.08619	1.7
85.02906	8.1
91.03923	0.9
91.05478	8.1
92.05798	4.4
92.86019	0.8
97.02879	2.6
97.10169	83.6
98.10495	1.4
100.11256	0.9
101.54612	0.8
107.08555	0.8
125.09634	15.8
126.09980	0.8
127.03903	1.1
129.06946	1.0
137.05960	5.9
143.10670	100.0
144.11017	2.8
145.04933	1.0
161.05930	1.0
161.11720	15.3
174.06798	1.1
175.07507	1.1
178.04991	11.4
183.70804	0.8
187.07507	3.0
189.09079	1.4
214.87479	0.8
217.08595	1.9
219.10219	1.1
239.44966	0.7
245.05888	0.7
271.09613	1.4
279.10031	1.2
291.10028	1.6
307.28873	0.8
311.12775	1.8
323.12827	2.0
341.15680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
55.05510	20.0
59.04977	1.1
67.05502	3.4
69.03426	3.9
69.07057	3.2
71.04968	0.7
75.57618	0.5
79.05489	2.8
81.07061	4.3
83.04986	1.0
83.08622	18.1
85.02913	5.4
85.06534	1.1
87.04425	0.7
97.02908	1.3
97.10171	43.0
98.10500	1.4
100.45577	0.6
107.08585	5.5
109.98964	0.7
122.03671	0.8
125.09631	55.8
126.09972	2.2
129.06981	0.9
137.05992	6.3
143.10672	100.0
144.11012	2.4
144.21205	0.6
161.11737	13.6
163.07474	0.7
174.06769	0.7
175.07474	0.7
178.05026	0.7
178.08698	0.8
187.07478	3.1
203.08478	0.8
211.07681	1.0
217.08614	1.4
219.08139	0.9
248.08344	1.8
271.09698	2.6
291.10229	3.1
296.12061	0.7
311.12717	1.3
322.11188	1.7
323.12573	2.7
340.12186	2.2
341.13568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18923	0.4
73.94812	0.4
77.52470	0.4
79.05489	1.8
80.39843	0.4
91.05473	0.7
95.04984	0.6
103.05486	0.8
105.07030	15.6
107.08596	0.8
119.08621	1.2
133.06494	16.8
134.07320	4.0
135.08081	7.3
147.60960	0.4
151.07550	4.3
176.10756	0.6
178.12265	100.0
179.12610	4.8
206.25407	0.5
228.86513	0.6
291.01721	0.5
293.65967	0.4
295.17450	0.7
341.19342	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59900	11.8
55.05513	19.0
67.05499	50.8
69.07068	24.8
71.04993	13.7
71.43243	13.8
79.05482	25.9
81.07055	43.2
82.07367	13.4
83.04996	14.0
91.05492	17.3
91.38986	12.4
93.07045	32.5
95.05019	11.4
95.08616	54.7
96.08903	16.3
105.07023	28.9
107.08575	28.2
109.10166	38.5
119.08568	21.9
121.10168	37.1
122.10454	14.7
122.26479	11.0
123.08096	17.0
123.11762	11.8
133.10161	31.0
147.11681	19.9
151.11182	31.9
237.25829	12.2
248.20872	17.8
275.97589	17.9
283.17099	20.8
284.17383	100.0
291.19748	22.4
291.23044	16.5
322.27518	73.4
340.23352	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67483	17.0
64.15128	15.9
67.05515	36.3
71.08601	16.6
77.05930	17.3
81.07066	45.8
83.17697	19.9
87.04473	21.2
91.05491	27.6
93.07037	23.6
95.08592	20.6
98.97577	40.4
105.07042	30.7
106.10738	23.1
106.71558	16.9
107.08595	41.9
109.10165	61.5
122.34157	16.6
123.32793	17.4
133.10152	78.3
140.68889	18.1
146.53833	18.5
151.11174	43.7
193.04898	27.4
225.15858	23.6
273.18390	24.6
275.97754	22.7
284.17542	23.2
291.19583	26.2
293.97998	24.4
339.77737	100.0
340.28226	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	10.8
69.48767	1.0
69.49104	3.0
73.04764	1.0
82.84268	0.7
87.20706	0.9
98.97582	91.0
101.00854	1.2
116.98623	40.9
119.01899	1.0
120.94106	0.7
129.29735	0.7
132.96600	0.8
134.99652	10.7
138.95662	0.8
149.58994	0.7
156.96591	2.7
174.97650	16.3
177.00931	5.4
178.01128	1.3
190.95589	1.3
192.98708	10.0
196.94417	3.7
198.97621	4.0
201.00980	3.8
212.92291	1.1
214.92220	1.7
214.95592	15.0
215.95744	1.6
216.98712	49.7
217.98894	2.4
219.01987	39.6
219.03700	2.4
219.95982	0.7
220.01830	4.3
221.01836	1.0
232.96677	18.7
233.96780	1.0
234.99753	57.6
235.99887	4.1
236.99863	0.9
237.97107	6.3
238.95412	1.5
239.95740	1.3
240.98660	2.2
243.01912	1.6
250.97763	6.3
251.97710	1.6
253.00932	1.2
255.98283	4.0
256.96661	24.8
257.96701	4.7
258.99771	27.4
259.99979	1.6
261.00107	1.2
261.02625	8.8
262.04507	1.4
263.02963	2.6
272.94342	1.8
273.99219	0.8
274.94565	1.7
274.97723	37.9
275.97971	4.3
276.98026	1.1
277.00806	27.4
279.00769	1.4
280.96509	1.7
284.00302	1.0
292.98798	4.4
298.18820	0.8
298.97684	83.9
299.97870	11.8
300.98087	1.0
316.98804	100.0
317.92929	2.8
317.98846	11.4
318.92917	1.1
318.98987	1.3
334.99802	1.9
335.93854	4.2
340.00220	2.0
340.95053	1.1
340.98734	34.0
341.98843	3.6
358.99884	59.4
360.00009	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	341.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52980	21.7
54.05799	17.0
59.34109	21.7
91.08238	22.8
102.54063	19.6
114.17489	19.6
180.13940	21.7
190.07706	17.5
219.07233	20.0
318.23233	19.8
341.06393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09632	17.7
69.45358	19.9
71.18211	17.4
98.04081	17.8
132.07085	20.7
143.07089	24.3
180.08815	100.0
292.93118	20.2
341.06348	84.2
342.11542	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
65.03941	1.9
69.03416	1.5
69.75948	0.8
70.51052	1.9
71.04997	2.1
79.05499	2.5
81.03426	1.0
81.07040	1.2
82.44629	0.8
84.44543	0.9
85.02888	1.7
91.05472	22.1
92.05808	7.5
93.06149	2.7
93.07011	1.2
94.04179	3.5
94.69137	1.1
95.04969	1.9
98.23312	1.1
105.07032	1.0
106.71031	0.8
107.04961	1.0
109.02888	1.5
109.06506	3.7
111.04448	1.5
115.05420	2.0
117.07002	1.0
119.04913	1.3
121.06448	1.0
122.03649	10.1
125.05981	1.1
127.03896	1.4
128.06235	3.3
129.07011	10.5
129.37256	0.9
131.04927	3.5
131.08559	2.7
131.42560	0.9
133.02849	3.6
137.05971	100.0
138.06360	2.1
139.05441	1.0
143.08508	1.5
144.05682	4.7
145.06444	2.6
146.07292	1.3
149.06036	2.3
151.03870	2.9
151.07516	5.7
153.05476	1.6
156.05750	1.0
157.06490	7.1
158.07248	2.0
159.04456	1.1
160.05209	2.2
161.05983	1.4
163.07567	2.4
165.05458	2.1
167.57661	1.0
171.08064	1.3
172.05200	7.9
173.05923	1.6
174.06758	15.4
175.07532	9.6
176.08244	1.6
177.05486	2.9
179.03485	1.2
179.06992	2.5
184.05205	1.2
187.07527	50.3
188.08084	3.0
189.09093	21.2
190.07657	1.2
191.07021	1.1
191.08606	4.4
192.09438	1.3
196.05266	1.9
199.07536	7.1
202.07802	4.7
203.08519	12.7
205.06508	2.6
205.08469	1.7
207.08031	1.6
208.08838	2.8
211.07529	10.3
213.05267	1.4
217.08588	27.7
218.07149	1.2
219.08034	11.2
220.08806	6.6
221.05971	1.2
221.09738	1.0
225.09100	1.7
227.06873	5.7
231.08011	14.9
232.08687	4.6
233.05919	1.8
233.09560	2.5
234.06619	1.5
235.07550	2.7
236.08405	5.3
237.09113	3.4
239.07007	3.9
240.07895	5.0
247.07542	10.3
248.08287	17.7
249.05429	1.0
249.09006	4.1
250.09851	1.4
251.10649	8.3
253.08635	3.5
255.06444	3.3
256.07175	2.4
259.07556	6.0
260.08270	3.7
261.05508	1.0
261.09116	4.4
262.09668	1.5
263.07019	2.1
263.10660	15.5
264.07730	5.1
265.08551	5.8
268.07266	2.3
269.08240	0.9
270.08853	7.6
271.09634	20.0
272.09988	1.1
275.07004	1.4
276.07797	9.4
277.08548	5.4
278.05841	1.0
278.08917	1.5
279.10129	18.0
280.10822	2.6
281.08148	4.3
281.11612	1.1
282.08463	1.1
283.09579	4.6
290.09549	1.1
291.10138	37.1
292.10681	3.8
293.08038	7.5
293.11255	1.6
295.09674	1.1
296.10416	12.9
297.11008	3.1
308.10382	4.6
309.10919	1.4
311.12769	24.2
312.12897	1.3
313.14429	1.3
315.87186	1.0
323.12744	40.8
323.18530	2.4
324.12991	2.7
341.13834	15.0
341.19467	3.2
342.14334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
60.17743	0.9
65.03933	2.2
67.05511	1.1
69.03436	0.9
70.81836	1.0
71.04986	1.6
79.05502	2.2
81.03430	1.4
81.07037	1.9
85.02898	1.2
85.16020	0.7
90.88635	0.7
91.05476	18.3
92.05830	7.2
93.06150	1.2
93.07050	1.0
94.04185	3.4
95.04961	1.3
97.29269	0.7
103.04347	0.6
103.05469	1.4
105.04382	0.6
105.07017	0.9
107.04961	1.9
109.06521	2.8
111.04449	0.8
115.05424	1.3
117.07011	0.9
119.04961	2.1
122.03655	8.8
123.04440	1.0
125.05983	1.4
128.06212	3.5
129.07008	9.5
131.04910	2.4
131.08546	2.1
133.02878	2.8
135.04434	1.1
137.05978	100.0
138.06326	2.2
143.08566	1.5
144.05688	6.3
145.06497	1.5
146.07222	1.8
149.05977	1.8
151.03906	2.4
151.07536	5.0
153.05489	1.4
155.06027	1.0
156.05757	1.0
157.06496	8.5
158.07292	1.8
158.31480	0.8
159.04401	1.1
160.05197	3.6
161.05980	1.7
161.09569	1.0
163.07542	1.9
165.05486	3.4
165.06804	0.8
168.05684	1.0
171.08076	1.7
172.05191	8.1
173.05978	1.0
174.06764	18.0
175.07518	11.5
177.05490	3.0
177.09091	1.7
179.03442	0.8
179.07021	2.4
179.08516	1.4
187.07541	52.6
188.07925	3.7
189.07227	2.0
189.09100	21.7
190.07793	1.6
190.09406	1.1
191.07118	1.1
191.08545	5.3
192.09207	1.5
196.05212	2.6
197.05943	0.8
199.07559	5.7
202.06201	1.1
202.07840	3.0
203.08572	12.1
205.06488	2.7
205.08482	1.2
206.07240	0.9
207.08093	1.2
208.08842	1.9
211.07573	7.7
213.05363	1.5
217.08597	34.2
218.07115	1.5
218.08948	2.0
219.08040	11.0
220.08852	6.0
221.05927	1.3
221.09569	1.6
225.09084	2.0
227.07036	6.0
228.07877	1.8
230.07394	1.1
231.08064	13.7
232.08755	3.6
233.05914	1.8
233.09633	2.7
234.06754	1.0
235.07555	2.1
236.08246	4.2
237.09108	3.4
239.06982	5.2
240.07755	5.7
241.05084	0.9
241.08563	0.8
245.09668	1.1
247.07547	9.2
248.08311	17.9
249.09094	4.1
250.06238	1.5
251.06763	1.2
251.10699	7.6
253.08540	4.0
255.06616	4.2
256.07275	3.5
259.07492	5.4
260.08255	2.7
261.05627	1.0
261.09140	4.8
262.09839	1.3
263.07727	1.3
263.10699	15.1
264.07800	4.7
264.10846	1.0
265.08615	6.8
268.07312	1.6
270.08862	6.8
271.09650	17.5
272.09991	1.0
273.09122	0.9
276.07813	9.3
277.08554	5.7
278.05890	0.9
279.10144	16.3
280.10791	3.3
281.08151	4.0
282.08902	0.8
283.09665	4.8
291.10156	35.8
292.10800	5.7
293.08063	6.8
293.11319	1.3
295.13727	1.0
296.10428	11.6
297.11148	2.5
303.39420	0.9
307.09573	1.3
308.10358	6.3
309.11185	2.0
311.12766	22.6
312.13049	1.2
313.14435	1.0
323.12781	39.7
324.13000	3.6
341.13766	15.5
341.19342	1.9
342.14447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1934
Annotation	Lys His Gly
Peak:m/z	Relative Intensity
51.78916	0.5
56.84193	0.4
57.83632	0.4
63.34713	0.4
69.25138	2.2
82.73241	0.4
130.41855	0.4
181.79895	0.4
302.33795	0.5
341.19330	100.0
342.19736	5.7
358.25787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
98.23443	0.7
120.47291	0.3
128.41673	0.3
213.32191	0.3
232.89682	0.3
247.11722	0.3
307.09409	0.3
309.16870	0.3
341.19327	100.0
342.19708	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	341.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49704	0.3
55.05508	0.5
60.91512	0.3
62.97931	0.5
62.98259	9.4
67.05500	1.5
69.07059	1.0
69.59035	1.3
73.59804	0.3
79.05479	1.0
81.07066	2.1
86.67111	0.3
91.05469	0.6
93.07043	1.3
95.04958	0.6
95.08604	1.6
105.07043	0.7
107.08578	0.9
109.10186	0.9
115.84015	0.3
119.08576	0.8
121.10170	0.6
133.10083	0.6
135.11685	1.0
147.11674	0.4
149.13283	0.8
151.11197	0.4
153.12790	0.5
159.11664	0.4
181.12300	0.4
191.85561	0.3
217.08206	0.4
237.51152	0.3
264.29233	0.3
296.25790	0.8
301.20074	1.2
303.83182	0.3
319.21127	3.5
323.19589	9.8
324.19867	1.0
337.22208	3.3
341.20636	100.0
342.20917	8.0
342.37677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01878	1.7
55.05511	10.5
57.03447	1.2
57.07081	5.8
58.50754	1.0
65.03952	1.3
67.05508	16.0
67.05832	2.0
69.03432	8.1
69.07072	7.2
71.04973	2.7
71.08631	13.8
79.05495	13.9
81.07057	19.7
83.04980	4.1
83.08646	1.4
85.06560	3.6
91.05470	11.9
93.07045	23.5
95.04953	10.8
95.08601	14.1
96.05750	3.1
97.02888	15.6
97.06546	6.0
97.10177	1.7
98.97584	1.9
99.08097	9.1
105.07032	6.8
107.04939	2.4
107.08615	6.4
108.72948	1.2
109.06524	7.8
109.10155	4.2
111.04443	20.4
111.08105	1.6
113.06013	4.1
116.98679	1.2
119.08562	6.5
121.06504	13.3
121.10129	15.9
123.04438	5.7
123.08114	5.4
123.11758	2.4
124.05225	3.4
125.05977	2.4
128.84224	1.2
131.08565	15.2
133.10138	3.1
135.08063	4.3
135.11746	1.1
137.05939	2.8
137.09615	3.1
139.11205	2.9
143.08569	1.5
145.10117	1.2
147.08072	2.0
149.02328	4.0
149.09613	16.3
161.09604	1.3
161.13309	4.1
163.11212	3.1
165.12776	10.5
167.10704	4.9
168.11391	1.3
171.08177	1.3
171.11699	1.8
173.13286	1.1
179.14230	2.1
181.12231	100.0
182.12607	4.2
189.12727	1.9
191.14392	2.0
193.04982	1.7
199.11079	1.3
203.14404	1.7
207.13852	3.1
213.12767	2.4
225.14923	1.1
240.34508	1.1
252.97264	1.0
253.14438	2.4
263.16397	1.2
277.21695	1.5
305.21039	12.8
306.21588	1.5
307.22702	3.5
323.22214	4.4
324.22800	2.1
341.06555	1.7
341.10196	2.0
341.23355	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67722	0.4
55.01855	0.5
56.96563	0.5
69.03402	0.7
70.56402	0.5
79.84688	0.4
81.03425	0.5
81.07047	1.2
85.02892	1.8
85.06573	0.6
99.08076	2.8
109.06487	0.8
116.98557	0.5
117.09109	2.4
120.08073	0.6
127.03931	0.6
127.07545	1.5
145.04895	0.5
145.08594	0.7
150.11481	0.4
163.09657	1.9
174.28607	0.4
180.06316	100.0
181.04785	2.0
181.06650	2.5
183.63773	0.4
185.04211	1.1
193.10896	0.5
210.13522	0.6
229.03828	0.6
276.61261	0.5
301.05911	0.7
332.31180	0.4
342.11621	37.6
343.09958	0.9
343.13586	0.8
345.28568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35096	0.8
53.03936	1.4
55.05518	1.0
57.03439	6.1
61.02925	1.8
69.03425	3.2
69.15530	3.7
69.15953	1.9
71.04997	1.6
71.08639	5.4
73.02910	1.0
79.05479	2.8
81.03426	1.6
81.07053	12.4
85.02907	12.5
85.06551	2.3
97.02884	3.8
99.08094	20.9
101.05992	0.9
109.02860	1.1
109.06516	18.3
117.09132	100.0
118.09474	1.9
121.10762	0.8
125.57637	0.9
126.25853	0.8
127.03928	1.4
127.07556	45.7
128.07890	1.0
145.04987	2.9
145.08592	1.5
163.09648	26.6
166.78941	0.9
181.04956	3.9
197.28046	1.0
343.13556	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	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01873	1.1
55.05511	6.3
57.03432	2.0
57.07078	9.5
61.02918	1.3
65.03940	3.9
67.05512	3.9
67.84001	0.8
69.03112	1.2
69.03436	12.2
70.02253	1.5
70.02581	1.6
70.06583	1.2
71.05022	1.1
73.02911	1.3
79.05510	0.8
81.03419	17.1
82.04203	1.7
83.08627	2.4
85.02910	22.1
89.06036	25.1
91.05462	1.3
93.03429	0.8
95.04967	3.6
97.02426	0.8
97.02910	8.0
97.06521	1.3
99.04462	2.6
101.09668	12.0
107.07075	26.8
107.08604	0.9
109.02876	6.5
110.03638	2.1
111.04473	1.7
119.08588	0.7
123.04432	2.7
125.02410	1.1
125.05982	1.3
127.03917	4.8
129.03432	0.7
137.05980	1.1
138.03130	0.8
140.04692	10.9
145.04951	3.2
145.12206	0.9
153.05466	4.2
155.07031	3.0
163.13303	83.7
164.13649	2.4
171.06572	5.6
181.04961	100.0
199.06047	4.9
202.53363	0.7
204.12827	0.7
282.08881	1.0
292.10620	0.8
324.12827	1.1
325.09198	20.4
343.04184	1.1
343.10049	1.4
343.17282	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.8
55.05520	9.1
57.03433	8.9
57.07081	10.5
58.06612	2.7
60.41356	1.8
63.49226	1.6
67.05166	2.4
67.05507	41.6
69.03428	4.1
69.07072	16.2
71.04995	9.5
71.08628	2.4
71.43242	1.7
79.05498	17.2
81.03419	3.6
81.07063	30.5
83.04995	8.5
83.08633	5.4
85.06540	6.2
85.10184	3.5
91.05489	31.2
93.07046	21.7
95.04987	14.7
95.08596	12.1
97.06533	54.0
98.97598	2.3
99.04459	3.5
99.08083	3.4
103.70811	1.6
105.07030	34.7
107.04952	4.7
107.08594	28.3
109.06517	11.1
109.10157	54.0
111.08067	12.7
113.06007	7.4
116.98563	2.2
117.07017	4.1
119.08569	7.2
121.06517	5.3
121.10113	3.6
123.04428	1.8
123.08066	4.7
123.11695	8.8
127.07574	4.1
131.08583	5.9
133.06499	3.6
133.10130	56.4
134.10457	2.2
135.08086	3.8
145.10147	2.4
147.08041	3.8
149.09627	2.3
151.07582	2.1
151.11185	31.6
153.09090	2.0
161.09618	3.4
163.07555	1.8
169.12247	6.0
179.10617	2.3
183.17459	3.5
193.12277	2.5
201.12794	1.6
221.11595	1.8
233.15367	2.4
240.23219	100.0
243.17346	1.9
249.14833	2.3
261.18509	5.0
271.16943	4.8
278.96722	3.0
289.17917	11.6
307.19095	10.8
342.28796	9.2
343.11612	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
54.18929	2.5
55.01878	10.9
55.05512	24.0
57.03430	13.1
59.05020	4.3
67.05505	19.5
69.07060	8.0
69.25197	16.8
71.04996	7.1
71.50450	2.6
79.05479	22.8
81.03412	11.7
81.07051	34.9
83.01347	11.3
83.04973	23.0
83.08626	24.3
83.38703	2.9
85.02888	6.1
85.06540	2.8
91.05477	16.0
93.07049	23.3
95.04975	7.6
95.08594	7.8
97.02893	3.8
97.06535	9.5
97.10166	9.0
99.04450	4.2
99.08089	5.2
105.07024	10.9
107.04962	10.9
107.08575	18.9
109.06504	8.2
109.10133	7.9
111.04446	25.7
111.08106	7.5
117.07027	4.6
119.08576	14.2
121.06520	5.8
121.10150	12.3
123.08067	12.1
125.09621	8.7
131.08534	8.2
135.08081	4.5
135.11665	18.4
137.18489	3.5
139.56284	3.4
145.10135	23.1
147.08067	4.0
149.09648	3.7
153.12753	11.9
155.08652	4.8
159.08041	4.4
163.11174	42.9
173.09622	8.8
181.12177	16.7
189.11148	3.8
191.10655	23.9
209.11725	77.5
210.12082	5.8
214.18001	19.5
227.12767	100.0
228.13048	3.8
239.11317	3.1
244.15556	3.6
271.17035	6.8
289.17938	21.9
307.19009	43.8
320.62613	3.1
342.19604	39.8
342.23605	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.5
56.57029	0.6
57.07073	0.8
59.04995	1.1
61.02940	3.6
62.06097	1.1
67.05501	9.1
68.05035	9.4
69.07061	2.0
71.04992	88.8
71.08626	5.7
71.43577	0.7
71.98148	0.7
72.08150	1.1
79.05492	12.5
81.03413	0.9
81.07058	11.9
83.04977	4.2
83.08640	1.0
84.04519	0.8
84.08151	1.1
86.06067	29.0
91.05495	1.9
93.07057	3.6
95.04973	1.0
95.08605	21.1
96.08119	2.4
97.06541	1.1
98.06065	0.8
98.09679	3.9
98.97614	0.7
99.08100	2.0
99.59415	0.8
101.06020	4.1
105.07027	6.4
107.08592	18.5
108.08163	1.1
108.08904	0.9
109.06484	0.9
109.10173	8.1
111.04446	3.5
113.09643	100.0
114.05544	0.9
114.10001	2.4
116.09959	1.3
116.10724	12.4
119.08578	7.3
121.10143	2.2
122.09657	1.5
124.07599	1.0
129.05452	1.4
130.04990	4.4
132.06563	42.8
133.10123	5.5
134.10472	0.7
142.08624	1.6
143.10669	2.1
149.13261	14.0
151.14803	6.8
152.14400	0.7
154.08667	0.8
154.15875	2.1
155.07008	1.3
160.06146	0.8
161.13248	19.2
162.13623	1.7
163.14838	5.3
164.10765	1.0
166.15916	1.8
167.80060	0.7
173.08076	1.7
174.07625	3.3
178.15912	1.3
179.14307	8.9
181.05063	0.7
182.15413	0.9
195.17490	1.6
196.16980	6.3
208.13307	1.4
212.12802	24.6
213.13123	1.1
214.18001	73.0
215.18347	3.8
226.14366	10.7
244.15433	8.5
288.25839	0.8
307.19397	0.8
310.20117	7.2
321.63297	0.9
324.21674	15.9
324.25275	1.2
325.22110	1.4
342.19025	5.1
342.23276	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02437	0.8
50.02668	0.6
53.03941	0.9
55.05507	2.5
56.82644	0.6
60.10461	0.6
61.02927	3.9
63.21677	0.6
65.03916	0.8
67.05511	11.6
68.05030	12.9
69.07068	1.2
69.26074	1.6
69.26484	2.2
70.58414	0.7
71.04995	87.1
72.05312	0.9
73.06564	1.0
79.05497	14.6
81.03413	1.2
81.07057	13.7
86.06068	44.4
87.06366	1.2
91.05479	2.9
93.07043	4.4
95.08607	25.0
96.08938	0.7
105.07028	6.6
107.08598	24.2
109.06527	0.8
109.10161	12.1
109.51271	0.7
112.72713	0.7
113.09647	100.0
114.05536	2.0
114.09990	2.7
119.08574	9.7
120.28442	0.8
121.10150	2.1
123.08028	1.1
130.04993	3.3
131.08682	0.7
132.06569	68.6
133.06920	0.9
133.10143	6.7
135.11697	1.7
147.11659	1.9
149.13251	22.8
150.13683	0.9
151.11201	1.4
151.14830	9.7
160.06084	2.1
161.13255	26.2
162.13608	0.9
163.14833	2.1
167.14287	0.8
174.07622	9.2
179.14313	14.1
181.04958	0.8
193.15869	0.9
195.17477	0.8
210.50764	0.7
212.12807	15.6
276.90829	0.7
310.20117	29.8
311.20337	1.8
324.21704	17.9
325.22101	1.5
342.23041	3.2
342.26660	0.9
343.17111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
57.03434	1.4
59.04995	3.2
61.02929	4.7
64.87495	1.1
67.05505	14.5
68.05027	12.9
69.07070	2.8
69.69402	3.2
71.04993	79.6
72.05331	1.3
73.06544	1.5
79.05495	14.4
81.03419	1.8
81.07053	17.7
81.07503	1.2
83.08627	1.0
86.06067	40.5
91.05501	3.5
93.07043	5.7
95.04961	1.4
95.08606	27.2
95.09219	1.5
105.07027	7.7
107.08595	26.0
108.08994	1.2
109.06503	2.0
109.10160	11.6
113.09645	100.0
114.05570	1.7
114.09975	2.0
119.08584	9.9
121.10174	2.7
123.08121	1.4
130.04999	4.0
132.06566	76.8
133.06850	1.2
133.10107	5.6
135.11700	2.6
137.02051	1.0
137.06006	1.4
147.11617	1.0
149.13257	26.0
151.14825	11.9
151.58026	0.8
160.06082	3.3
161.05984	4.6
161.11908	1.3
161.13254	27.4
162.13577	1.2
163.07550	1.5
163.14844	3.6
166.12341	0.9
167.14320	1.2
174.07608	5.5
175.07556	1.3
179.14294	15.8
180.14528	1.0
195.17383	1.3
201.08969	0.8
212.12782	12.4
235.07600	1.1
265.08582	1.6
293.11743	1.0
297.06354	1.0
299.12863	1.3
310.20096	24.0
310.23434	1.8
311.12836	3.1
311.20416	1.9
324.21677	18.6
325.22177	2.0
342.22910	7.0
343.15472	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	27.2
55.70655	11.3
57.03418	20.4
57.07064	9.4
57.17834	8.7
66.14401	9.4
67.05489	31.6
69.03413	14.1
79.05497	23.4
81.07054	24.8
83.04952	16.0
83.62139	9.4
91.05470	19.7
93.07032	35.9
95.04951	29.2
95.08596	14.8
97.06537	20.2
97.10120	17.3
98.22723	27.4
105.07035	14.2
107.08591	36.8
109.10158	27.4
111.08064	27.8
119.08546	16.5
121.10144	11.5
125.09582	14.8
133.10123	15.7
139.07491	11.3
153.09125	51.2
173.11711	15.1
189.11156	15.1
240.23251	100.0
247.12784	10.6
289.18045	12.5
299.12317	22.9
307.18973	46.0
308.19119	14.6
342.29108	12.4
343.11887	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	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.9
57.07072	68.8
61.90599	4.5
67.05493	17.5
69.07073	7.9
69.15803	19.5
69.16199	6.8
71.08621	7.4
79.05500	13.0
81.03436	5.0
81.07073	22.9
88.49778	4.9
89.06030	16.0
91.05478	13.2
93.07040	23.1
95.04992	14.5
95.08621	10.6
98.97605	15.0
105.06990	10.3
107.08582	8.0
116.98638	6.1
119.08551	10.5
121.06499	53.1
131.08597	4.7
133.08585	12.6
133.10124	9.4
135.11658	8.0
145.10159	5.2
151.07358	4.8
160.04993	4.8
165.09138	27.3
181.12262	5.3
227.12758	100.0
230.24779	13.8
240.23300	9.6
242.76756	5.0
249.08112	5.9
275.19955	8.5
281.00827	4.4
289.21573	4.5
295.96008	7.3
310.59863	4.4
342.37338	24.2
343.12811	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
53.57660	1.9
55.01865	9.8
55.05508	52.1
57.03432	2.4
57.07079	2.7
57.62946	1.8
59.05002	3.7
60.04523	3.6
67.05508	31.2
67.84610	1.9
69.03426	9.3
69.07067	58.8
71.04994	3.2
71.43216	2.0
79.05489	36.3
80.75073	1.6
81.07053	29.0
83.04973	6.2
83.08619	34.0
85.06528	2.9
91.05475	16.2
93.07047	29.4
95.04971	7.7
95.08604	19.6
97.06530	11.8
97.10166	84.0
98.97614	2.0
105.07014	24.2
107.04984	4.9
107.08591	92.6
108.08904	2.4
109.06533	3.5
109.10158	5.9
111.08078	4.4
116.98618	4.2
117.07040	6.9
119.08590	14.8
121.06506	3.7
121.10147	8.0
123.08025	2.4
124.11220	2.0
125.09629	75.2
126.09959	2.1
131.08586	8.3
133.10121	14.5
135.08063	19.4
135.11708	5.9
143.08505	4.1
145.10123	18.4
147.11676	6.9
149.09653	12.1
149.13187	2.8
151.07516	2.7
153.09081	14.4
157.12250	6.0
159.11708	6.6
161.13194	4.0
163.11169	7.4
171.10271	2.3
171.11679	3.2
173.13268	5.1
177.12708	3.1
189.12662	2.2
199.82700	2.0
201.12711	2.3
203.12767	100.0
204.13097	4.6
205.12183	3.4
221.15234	2.2
239.17935	6.0
257.19058	16.4
275.20068	55.2
276.20389	2.5
280.68073	2.2
289.21555	22.2
295.96008	1.9
299.15872	9.6
307.22604	20.2
312.99387	2.0
343.12039	3.0
343.18774	24.4
343.22723	5.2
364.20084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.7
55.05504	16.5
57.07076	12.2
62.06093	2.2
67.05503	25.1
69.03398	1.6
69.07047	8.7
69.40034	7.8
71.08637	5.9
72.04523	1.6
79.05503	8.5
81.03402	2.4
81.07062	22.5
83.04985	5.1
83.08612	6.6
85.06538	4.1
90.09204	1.6
91.05478	17.2
92.03758	1.6
93.07052	14.0
95.04969	4.5
95.08602	13.7
97.06541	2.8
97.10172	3.3
98.22724	3.2
99.95337	1.6
105.07029	12.2
106.78657	1.6
107.04992	3.1
107.08587	14.2
107.24443	1.5
109.06502	3.2
109.10163	19.6
111.04395	2.0
111.08076	2.0
117.07033	2.4
119.08585	6.5
121.10152	4.5
123.04424	1.8
123.08105	4.3
123.11695	6.0
125.09599	8.0
131.08633	2.5
133.10146	30.6
135.11687	5.3
137.09621	6.1
145.10129	4.8
147.11656	1.8
149.09610	4.1
151.11176	28.9
156.17450	2.0
159.11757	2.2
163.11197	2.9
165.09108	1.7
165.74066	1.5
174.18556	3.4
179.10692	5.1
183.13797	10.3
193.12535	1.6
195.14030	1.7
203.27367	1.5
230.24684	4.2
239.17749	2.3
240.23047	2.5
247.20505	3.5
257.18933	3.4
275.20108	15.0
286.31149	2.1
293.21030	6.8
298.54459	2.0
307.22778	6.1
342.27036	4.5
342.37296	100.0
343.11768	2.9
343.37527	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	342.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
57.07076	7.8
58.06600	1.1
62.06089	2.7
62.98223	0.3
67.05502	0.6
69.07070	0.6
71.08630	4.2
71.20879	0.3
72.08154	1.5
81.07029	0.7
85.10168	0.9
95.08573	0.7
105.03332	0.4
114.09171	0.7
115.09492	0.4
123.04447	0.5
129.80502	0.3
131.11781	0.5
156.17471	1.8
163.07585	0.4
170.18877	0.3
174.18539	5.2
177.09047	0.4
202.21680	0.4
212.23610	1.4
230.24779	4.0
266.45285	0.3
277.04913	0.2
324.36243	1.1
342.37289	100.0
343.22690	0.5
343.33450	0.5
343.37631	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	343.07
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	11.3
62.16679	0.7
69.54916	1.6
69.55325	2.4
70.06608	0.9
84.96030	1.6
85.02901	1.2
107.06001	0.8
118.09525	0.8
127.03172	0.9
137.02347	1.3
139.00659	1.0
141.54628	0.7
147.04405	2.1
151.00673	1.2
153.02234	1.7
155.00220	1.4
157.01662	1.0
165.02252	4.6
165.05531	1.6
167.03816	0.9
169.01733	2.0
170.99490	0.8
171.03291	3.6
175.00545	1.0
175.02765	0.9
177.02267	1.0
181.01685	2.6
181.04951	2.1
183.03308	10.6
185.04865	2.6
187.02782	1.7
189.02217	1.3
191.03735	1.1
193.01714	3.8
193.05301	1.8
195.03314	1.5
199.02744	2.1
201.04346	10.4
207.03227	1.4
209.04866	2.9
211.02742	13.5
211.06276	3.9
219.03294	7.2
219.05305	1.7
221.04889	2.1
223.02669	1.2
225.04346	1.4
227.05904	2.6
229.03827	55.4
230.04243	2.4
237.04327	26.0
237.06668	1.5
238.04778	1.1
239.05916	5.8
247.02484	1.8
247.04903	19.6
248.05246	1.5
255.05406	45.4
256.05759	2.2
257.07117	1.2
257.09750	0.8
265.03833	4.5
273.06467	8.2
283.04819	19.3
284.05392	1.1
300.17258	1.4
301.05927	100.0
302.06238	6.5
319.06970	19.0
320.03479	1.1
321.02805	1.7
324.07520	2.3
343.09924	3.2
343.13629	21.4
358.23849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62417	5.6
53.03935	7.0
53.41124	6.5
55.05506	6.8
55.33754	5.1
57.03421	16.7
58.99589	6.8
59.05001	7.1
65.72482	6.1
67.05503	11.9
68.05015	6.4
69.03409	8.8
70.06585	39.3
71.44307	6.6
79.05481	15.5
80.05014	6.7
81.03424	16.9
81.07050	44.4
84.90398	6.6
85.02898	13.6
86.06067	6.0
91.05488	12.0
95.04964	12.6
97.06496	6.9
99.08115	10.2
100.11272	5.9
101.29937	5.1
105.07029	8.8
107.08590	9.0
116.01666	34.8
119.08591	6.5
121.06511	6.4
122.81019	5.4
124.11189	7.2
132.06540	7.5
137.05992	14.0
140.04691	10.9
142.03250	48.4
144.01138	9.4
145.10074	6.7
151.07541	6.0
161.05998	7.4
162.02229	34.4
167.07059	7.6
170.02733	19.6
170.11752	45.1
181.04950	100.0
181.06422	10.2
181.08571	9.5
181.12236	5.6
189.09123	8.5
193.44318	5.8
213.07956	26.6
215.05850	13.3
229.07477	8.8
231.09015	25.2
233.06873	8.1
257.07129	7.0
267.83307	6.7
275.07983	28.5
325.09274	11.3
343.04364	30.6
343.07907	72.7
343.11975	18.2
343.17093	73.2
344.20752	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	343.1003
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
57.83829	0.4
60.81926	0.4
64.51279	0.5
65.03940	0.8
67.05480	1.3
69.03412	1.9
70.51395	1.0
73.02934	0.5
79.05470	0.5
81.03417	4.7
81.07026	0.6
82.04189	0.8
85.02892	2.1
86.45103	0.5
93.03360	0.5
95.04954	0.8
97.02863	1.0
97.06484	0.5
99.04444	1.0
109.02859	1.7
110.03664	0.7
110.51097	0.5
127.03917	0.5
127.60446	0.6
131.04924	0.6
137.05959	1.7
140.04692	3.0
153.05421	1.3
155.07030	1.3
161.05951	0.7
163.07513	1.4
171.06511	1.0
181.04953	25.2
182.05231	1.1
185.04237	3.3
199.05934	1.4
203.05536	1.1
245.07980	0.8
325.08981	4.3
343.09897	100.0
343.17017	3.7
344.10202	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	343.1024
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03945	1.9
55.01871	0.7
55.05511	0.4
56.10626	0.3
57.03424	1.1
65.03937	4.6
67.05502	1.8
69.03069	0.5
69.03426	7.2
69.61755	1.2
71.01334	0.3
71.04980	0.9
73.02892	0.5
77.03913	0.3
79.05467	0.4
81.03416	18.2
82.03748	0.5
82.04195	1.5
85.02397	0.6
85.02898	7.9
85.43642	0.3
93.03410	1.5
95.04967	2.8
97.02886	2.9
97.06522	1.3
99.04456	2.0
100.11237	0.9
101.14825	0.3
105.04498	0.5
108.02106	0.5
109.02877	7.4
110.03680	2.1
111.04441	0.7
121.63510	0.4
123.04402	1.9
125.02353	0.9
125.05978	1.0
127.03912	2.2
137.05962	0.3
138.03082	1.1
140.04677	11.7
141.04964	0.6
142.02617	0.9
153.05432	3.5
155.07022	4.9
161.05988	0.4
171.06531	3.9
173.08093	0.4
181.04944	100.0
182.05298	3.4
184.03738	0.5
199.06030	5.2
238.18463	0.4
259.66028	0.3
274.65588	0.3
283.08096	0.6
307.99878	0.3
325.09174	18.8
326.09439	0.8
343.09985	1.8
343.30481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84737	0.3
53.03944	1.7
55.05513	0.5
57.03429	1.5
57.07078	0.7
65.03947	3.6
67.05500	2.5
69.03429	7.1
69.07079	0.4
71.04969	0.9
71.19166	0.6
73.02906	0.7
74.08646	0.3
79.05521	0.5
81.03419	19.1
81.07052	0.8
82.04198	1.6
85.02909	9.2
85.82147	0.4
89.06036	1.6
93.03408	1.3
93.07061	0.5
95.04970	3.7
97.02882	3.1
97.06535	1.2
99.04462	1.7
101.09657	0.7
105.07036	0.4
107.07062	1.6
107.08606	0.7
108.02094	1.2
108.07391	0.5
109.02889	7.3
110.03681	2.2
111.04417	1.0
118.17786	0.4
119.08591	0.4
121.10123	0.4
123.04418	2.1
125.02351	0.7
125.05998	1.6
127.03912	1.8
129.07137	0.4
137.05956	0.8
138.03137	1.7
140.04686	12.5
140.05775	0.6
141.05011	0.4
142.02614	0.9
145.04945	0.8
145.10144	0.6
153.05461	2.7
155.07021	3.8
161.05873	0.8
163.07559	0.8
163.13287	3.5
164.13666	1.9
167.03320	0.5
171.06526	4.2
181.04955	100.0
182.05315	3.2
199.06007	4.3
203.05281	0.5
267.06497	0.7
283.08188	0.5
310.08383	0.6
325.09174	18.8
326.09412	1.0
343.04398	1.3
343.10623	1.4
343.13193	2.0
343.17346	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	343.1235
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
53.03939	2.5
55.01869	12.1
57.03439	9.2
61.02926	5.9
69.03431	36.7
71.04971	3.0
71.09782	1.2
73.02922	5.9
81.03417	5.9
85.02905	100.0
86.03226	2.2
87.04473	1.5
97.02892	31.7
99.04440	8.7
101.02368	6.7
101.55967	1.4
109.02881	9.1
115.03934	3.1
127.03917	67.8
128.04289	2.3
145.04953	45.6
146.05325	2.0
163.06032	10.5
181.04979	2.1
201.86034	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17429	1.4
53.03939	2.3
55.01876	12.8
57.03436	11.3
61.02917	4.2
69.03433	39.5
71.04994	3.1
73.02928	7.3
78.69938	1.4
81.03423	7.1
85.02906	100.0
86.03220	2.0
91.03963	2.1
97.02895	37.8
98.22948	1.8
99.04453	9.5
101.02377	6.2
109.02872	9.1
115.03952	3.7
127.03917	81.4
145.04961	50.9
153.16699	1.5
163.06082	9.1
181.05006	6.9
283.12589	2.4
343.15683	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	343.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.05416	0.9
55.01871	8.8
57.03442	11.0
61.02930	5.1
69.03432	34.1
69.66151	2.9
69.66540	2.2
70.06576	1.3
71.01361	1.3
71.05001	5.4
72.08152	1.5
73.02008	1.0
73.02925	7.1
75.17841	0.9
81.03418	8.5
83.05022	1.2
84.08147	1.5
85.02905	100.0
86.03236	2.8
87.04481	1.5
91.03986	1.3
96.33088	1.0
97.02895	34.3
98.03225	1.2
98.22749	1.8
99.04456	9.2
101.02391	7.5
103.03948	1.3
109.02876	12.5
109.53862	1.0
111.04417	1.2
115.03932	3.7
127.03918	70.6
128.04254	3.1
129.05499	3.8
140.90656	1.0
145.04959	48.5
146.05344	1.9
147.06578	1.6
163.06021	11.3
181.07068	3.2
281.91751	1.0
344.09076	3.1
344.31943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07225	0.4
55.05508	0.6
67.05510	0.4
67.63314	0.5
69.07079	1.0
69.41401	1.2
69.41788	1.0
70.06582	0.7
72.08151	1.7
73.78761	0.4
79.05499	0.8
81.03422	0.9
81.07031	0.9
85.02902	0.8
85.06567	0.5
86.09711	4.3
91.05467	0.6
93.07049	0.8
95.08598	0.5
97.06488	0.4
97.60968	0.4
98.22709	0.8
107.08597	0.9
109.02844	0.6
110.03719	0.5
123.45822	0.4
135.11569	0.4
137.05986	1.0
140.04715	0.5
147.04482	0.4
153.05475	0.7
163.07478	0.5
163.11166	0.7
165.36630	0.4
181.04933	4.1
185.16493	1.6
196.66324	0.5
200.19220	0.4
203.76938	0.4
213.16064	0.6
229.14265	0.6
264.39395	0.5
282.16891	0.7
284.18451	0.5
299.14587	2.1
299.23502	0.5
300.18176	0.6
325.16205	11.0
343.17282	100.0
344.17447	5.6
344.20883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03951	2.5
55.01870	3.5
55.05510	8.9
57.03434	5.4
57.07068	7.8
59.05005	3.8
64.67589	1.5
65.03957	2.6
67.05505	17.6
69.03422	6.3
69.07066	5.3
71.04993	16.3
77.03917	2.1
79.05091	2.2
79.05499	19.0
81.03417	3.6
81.06699	1.6
81.07063	18.3
83.04977	4.2
83.87297	1.5
85.06534	4.6
85.63210	1.9
91.05464	18.1
93.06453	2.7
93.07045	47.9
95.04970	33.5
95.08025	3.5
95.08609	52.8
95.09221	2.9
97.06544	8.0
98.22676	2.7
105.03443	2.0
105.04478	1.9
105.07035	49.1
107.04956	3.7
107.08595	32.4
109.06534	8.6
109.10177	3.8
113.62930	1.9
115.05433	5.2
117.07011	18.5
119.08572	15.9
121.06500	8.8
121.10149	11.3
123.08072	17.1
129.07037	2.2
130.07779	9.6
131.08546	3.5
133.06487	4.5
133.10141	11.1
135.08064	18.1
135.11696	11.2
137.05952	2.6
137.09630	4.2
143.08588	10.2
145.06531	2.6
145.10121	57.5
147.08067	10.0
147.11697	3.2
149.09621	6.8
151.07539	32.7
153.09105	3.9
157.10092	4.7
159.08112	2.3
159.11693	4.2
161.09639	6.6
161.13324	2.7
163.07510	2.6
163.09776	2.4
163.11172	52.0
165.09132	12.4
169.10162	2.3
171.11673	2.0
173.09671	3.0
173.13310	3.5
175.11243	2.6
177.09108	3.5
179.07045	4.4
181.10120	2.7
187.11206	3.6
189.09061	2.3
189.12720	7.1
191.14244	2.9
197.13344	2.6
203.14313	8.3
207.13728	3.3
209.15427	4.1
215.14311	2.6
221.15353	26.5
222.15652	2.5
240.23268	5.3
241.15991	2.5
263.16510	7.4
286.19315	5.6
287.16443	3.5
287.20184	3.5
307.20731	2.0
313.07013	2.0
325.21619	10.8
328.00616	1.8
343.11728	4.9
343.19022	4.6
343.22653	100.0
343.26016	4.6
344.22964	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01862	4.4
55.05517	18.1
57.03434	10.2
57.07074	11.0
59.04995	5.1
64.05447	2.0
65.03930	2.1
67.05499	26.0
69.03436	14.0
69.07057	6.5
69.73809	5.7
70.06575	3.7
71.04997	18.7
77.03908	3.2
79.05487	22.3
81.07053	27.1
83.04975	5.5
85.06538	4.8
87.04462	15.5
88.07611	2.6
91.05481	34.2
93.07041	70.7
95.04969	59.1
95.05537	4.4
95.08604	79.3
95.09219	4.5
96.08952	2.2
97.06522	13.4
102.09168	3.5
103.05457	3.3
105.06352	5.0
105.07029	70.6
105.07735	4.7
107.04967	3.8
107.08595	51.2
107.09290	1.7
109.06503	19.6
109.10113	3.1
115.05455	6.8
117.07030	26.7
119.05989	2.2
119.08571	27.1
121.06535	12.4
121.10126	16.4
123.08073	24.5
128.06238	2.8
128.71924	2.1
129.07007	3.0
130.07774	18.6
131.08601	11.1
133.06480	6.9
133.10115	14.4
134.07393	2.1
135.08047	23.4
135.11681	15.8
137.09647	5.5
142.07796	4.1
143.08557	9.2
145.06491	4.3
145.10114	76.8
147.08025	12.4
147.11703	3.8
149.09621	7.1
151.07527	45.2
153.09137	2.9
155.08524	4.2
157.10118	9.4
159.08095	3.6
159.11687	7.8
161.09634	6.6
163.11188	57.6
165.09100	13.1
169.10101	3.3
171.11681	5.5
173.09631	4.9
173.13339	3.0
175.11232	4.2
176.95409	2.0
177.09094	6.0
179.07138	3.5
181.10178	3.7
181.12198	3.2
183.11703	3.0
187.11198	5.2
189.12796	9.8
191.14325	3.2
197.13243	4.7
203.14362	9.7
207.13817	7.4
209.13396	2.4
209.15341	5.4
215.14311	3.0
217.12302	3.6
221.15355	29.2
240.23184	7.6
263.16409	8.8
269.15314	3.6
284.29620	4.1
286.19211	5.2
307.20621	3.2
325.21542	12.1
343.22647	100.0
344.22937	8.1
344.31573	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03924	3.2
53.39396	1.9
55.01858	2.8
55.05507	10.3
55.05718	1.9
57.03419	5.7
57.07055	3.6
59.04996	5.7
67.05504	15.1
69.03419	7.7
69.07046	6.7
71.04993	14.0
79.05489	13.7
81.07044	16.6
83.04974	6.4
83.08582	3.3
85.06538	2.8
89.05992	2.4
91.05487	17.4
93.06468	2.0
93.07042	44.9
95.04965	41.0
95.08599	49.0
97.06519	13.8
105.07021	46.6
106.07352	2.2
106.61102	2.0
107.04928	3.5
107.08585	41.2
109.06509	11.0
109.10135	4.1
115.05448	4.9
117.07030	17.8
119.08556	16.7
121.06499	10.9
121.10166	14.3
123.08064	15.0
129.06990	4.0
130.07758	10.5
131.08549	6.6
133.06548	3.1
133.10112	14.0
133.35086	2.1
135.08060	21.1
135.11699	10.8
137.05920	3.2
137.09581	2.5
142.07793	2.1
143.08540	8.6
145.10114	61.0
147.08038	8.3
147.11726	2.6
149.09564	5.7
151.07539	38.4
153.09116	3.1
157.10141	8.0
157.99353	2.1
159.11673	5.6
161.09570	4.9
161.13231	3.6
163.11182	59.5
164.11571	3.2
165.09062	11.1
169.10152	3.1
171.11659	4.4
173.09615	3.5
173.13306	3.3
175.11107	3.7
177.09079	5.8
179.07054	3.8
181.12238	3.4
183.11612	3.5
187.11226	5.3
189.12712	7.2
197.13219	3.5
198.34991	2.2
199.14851	2.7
201.18971	2.3
203.14331	8.1
207.13786	6.7
208.14488	2.2
209.15367	3.5
217.12225	3.0
221.15356	26.3
227.14326	3.1
233.15356	3.1
240.23209	5.9
241.15813	3.2
245.15413	2.3
259.17004	2.5
263.16412	8.3
269.15332	4.3
274.18994	2.2
286.19464	2.8
287.16464	3.1
303.88293	2.4
307.20462	2.6
325.21750	12.9
343.18961	3.5
343.22635	100.0
344.22916	8.4
347.17746	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92272	0.4
57.03426	0.8
61.02922	1.4
65.03941	0.4
69.03431	3.0
70.68698	0.4
70.69034	0.6
73.02916	0.6
81.03416	1.4
85.02901	17.6
87.04473	0.5
89.06030	1.0
91.03943	0.7
91.05470	4.1
95.04964	0.7
97.02897	3.5
99.04429	0.4
102.07990	0.4
104.22926	0.4
109.02872	1.3
117.09142	0.5
119.04941	19.0
123.04446	2.0
126.16649	0.4
127.03938	2.6
133.08623	0.5
145.04922	3.7
147.04401	100.0
148.04745	3.7
165.05470	53.2
166.05827	1.7
180.08641	1.7
182.08116	0.9
327.20093	0.6
344.13434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
54.67656	0.3
55.01863	0.4
57.03424	0.8
57.11682	0.3
60.04506	0.3
61.02926	1.5
69.03418	3.6
71.04976	0.5
71.44908	0.4
73.02915	0.6
75.88490	0.2
79.94485	0.3
81.03408	1.2
85.02898	15.8
86.03230	0.4
87.04474	0.7
89.06026	4.4
91.03947	0.8
91.05472	3.4
95.04955	0.5
97.02888	2.9
99.04449	0.6
109.02870	1.1
109.89967	0.3
119.04932	14.9
120.05208	0.5
123.04408	2.3
127.03902	2.5
133.08575	2.6
145.04951	3.5
147.04395	100.0
148.04736	4.6
163.05907	0.3
165.05464	58.7
166.05795	2.0
177.11221	0.8
180.08624	1.9
181.04965	0.4
182.05258	0.5
182.08131	0.8
185.60435	0.3
193.04941	1.3
217.04984	0.6
219.06487	0.4
235.23380	0.3
247.79050	0.3
309.09790	0.5
327.20032	1.9
344.13577	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	15.3
61.02919	1.8
62.06087	16.5
66.91962	1.1
67.05479	1.3
68.98884	1.0
69.03426	1.9
69.07042	1.2
71.43821	1.3
79.05482	1.5
81.03451	1.5
81.07041	1.0
85.02479	1.1
85.02897	6.6
87.04490	1.1
89.06028	2.4
91.05479	2.1
93.07039	1.4
96.08215	1.2
107.04925	1.5
114.85664	1.2
121.02866	100.0
122.03207	3.5
127.03907	2.4
137.05981	7.5
139.03941	1.7
143.04926	2.0
143.74788	1.0
145.04970	1.4
147.04398	1.6
164.06984	1.2
165.05504	3.3
165.12784	2.0
166.05765	1.1
175.07521	2.7
179.07042	2.5
181.08617	1.3
182.08125	91.6
183.08455	3.2
192.10286	1.1
196.09645	1.4
200.06905	1.0
225.08824	1.2
290.14719	2.2
299.12662	1.2
344.11154	2.1
344.18509	17.1
344.24567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2224
Annotation	Polysignine
Peak:m/z	Relative Intensity
50.26582	0.6
55.05495	1.3
58.84858	0.6
64.49456	0.7
67.05515	1.0
69.07069	1.7
69.33913	1.8
69.34319	1.6
77.32066	0.6
79.05492	5.1
80.04994	2.1
81.07035	1.7
89.06010	0.9
91.05480	3.7
93.07034	3.7
95.08598	2.2
96.08066	0.6
97.06550	0.8
103.05477	8.6
104.99223	0.7
105.07043	3.0
107.04955	5.5
107.08578	2.0
108.08124	18.9
109.08951	0.6
109.10133	0.8
119.08569	1.4
120.08089	2.8
122.09676	10.4
123.10460	2.2
130.06561	3.0
131.04921	7.1
132.08093	3.6
133.10080	0.9
135.11705	1.4
136.11203	4.5
148.11252	0.7
149.06027	0.7
150.12785	23.8
151.13565	8.2
152.14348	4.3
159.77126	0.6
166.08676	1.0
180.10194	4.0
200.14320	0.7
228.10213	5.7
229.10887	0.7
246.11284	2.2
254.18980	3.1
270.14859	2.3
273.18497	1.0
291.19662	0.8
298.18054	0.9
300.19589	95.2
301.19955	6.7
344.22211	100.0
345.13507	2.0
345.22485	7.7
347.19464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2221
Annotation	Polysignine
Peak:m/z	Relative Intensity
54.22039	0.3
54.94958	0.3
55.05498	0.8
56.34018	0.3
67.05482	0.9
69.07038	1.0
69.47416	0.9
79.05498	3.7
80.04992	1.1
81.07056	1.7
91.05478	4.2
92.05797	0.3
93.05772	0.4
93.07035	3.5
94.06560	0.8
95.04958	0.5
95.08595	2.0
96.08086	0.4
103.05464	9.9
105.07014	2.8
107.04956	5.9
107.08583	1.2
108.08118	17.8
109.08887	0.9
109.10133	0.9
110.09653	1.4
119.08556	0.7
120.08109	3.5
121.06473	0.5
121.10136	0.4
122.05991	0.4
122.09663	10.1
122.10548	0.5
123.10477	1.9
123.11692	0.3
126.87019	0.3
129.06987	0.8
130.06505	3.0
131.04930	6.2
132.08070	2.7
133.10123	0.7
134.09628	0.8
135.11664	1.4
136.11201	4.3
137.13196	0.8
145.89973	0.3
148.11250	0.4
149.05956	0.6
150.12779	24.1
151.13576	8.3
152.14371	4.0
161.13193	0.5
164.14351	0.5
166.08649	0.9
170.09612	0.6
172.03854	0.3
172.11116	0.4
180.10179	5.1
184.11211	0.4
200.14304	1.1
209.14059	0.5
212.14317	0.6
226.15831	0.8
228.10185	2.7
230.11766	0.8
244.13344	0.6
246.11264	1.1
246.14938	0.9
254.19043	3.9
256.13370	0.9
258.14804	0.6
270.14856	2.4
272.20126	0.5
298.17941	1.2
300.19571	100.0
301.19913	8.2
302.21179	1.4
344.22189	88.0
345.13467	0.9
345.22546	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.4
55.05502	20.3
57.03421	20.5
65.99429	5.5
67.05506	54.3
67.10992	5.6
69.03436	11.1
69.07070	86.9
69.41519	26.6
71.04977	38.4
79.05479	62.6
81.03414	18.9
81.07050	70.4
83.04985	11.7
83.08607	13.0
89.06013	11.6
91.05476	35.1
93.07037	50.6
95.04995	38.7
95.05504	7.8
95.08599	26.5
97.06526	100.0
98.23449	13.8
99.08068	6.9
104.99263	21.5
105.07027	31.7
105.15443	6.1
107.04933	11.6
107.08581	18.4
109.06516	15.3
109.10155	15.4
111.08058	6.6
115.07586	55.9
117.07008	18.8
119.08593	23.9
121.06505	9.2
121.10134	16.0
129.07021	9.4
131.08568	21.7
133.06538	5.8
133.10129	14.4
135.08026	10.0
135.11647	12.8
145.10115	18.4
147.11690	7.3
149.09586	8.6
149.13249	6.6
159.11699	11.0
161.09503	10.0
177.12750	13.6
187.11217	10.1
195.13753	11.8
217.15863	6.6
223.13232	12.9
239.16518	6.9
262.98230	20.6
271.17010	8.6
273.18546	10.8
291.19333	7.0
314.07355	39.9
344.12054	40.2
345.15961	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47891	4.7
55.05511	59.8
57.03434	14.1
57.38866	4.9
67.05511	28.5
67.85850	4.4
69.03429	7.9
69.07068	13.9
71.05011	4.9
79.05495	80.7
81.03416	19.1
81.07065	20.0
82.55489	5.6
83.08615	31.5
91.05487	18.9
93.07047	100.0
95.04959	15.6
95.08607	25.5
97.06538	7.4
97.10168	66.4
104.99323	6.2
105.04480	7.3
105.07037	16.0
107.08591	18.9
109.06510	6.1
109.10131	7.3
117.07077	6.3
119.08588	8.8
121.10133	36.4
121.10854	4.5
123.08072	31.6
125.09624	54.5
133.08565	5.3
135.08044	7.2
137.09613	6.1
141.09106	19.2
189.11211	85.9
203.81320	4.8
221.15361	18.6
223.13272	17.2
254.14270	10.9
273.18546	7.5
291.19550	21.6
309.20523	36.1
343.99203	5.0
344.20541	10.5
345.13147	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01869	8.2
55.05507	11.9
57.03440	15.3
63.56855	2.0
65.03928	2.9
67.05500	44.0
67.05859	2.2
69.03429	6.2
69.07069	61.4
71.04988	23.2
73.02916	5.4
79.05492	43.8
81.03407	17.0
81.07053	43.7
83.04983	10.0
83.08623	8.9
85.06524	3.3
89.06020	2.6
91.05474	30.3
92.86546	2.2
93.07040	36.4
95.04971	27.6
95.08601	22.2
97.06530	100.0
99.08084	5.2
104.99281	5.9
105.07031	30.3
107.04939	8.4
107.08583	17.6
109.06540	13.7
109.10148	16.9
115.07567	46.2
117.07021	12.2
119.08602	19.0
121.06494	6.6
121.10136	13.0
123.08057	4.4
123.11700	4.7
125.09651	4.0
129.07016	5.9
131.08582	20.0
133.06511	3.1
133.10135	19.6
135.08044	7.2
135.11720	10.7
143.08554	6.4
145.10132	14.1
147.08026	2.8
147.11673	4.4
149.09592	6.3
149.13263	6.6
151.11186	6.9
157.10124	5.3
159.11696	8.4
161.13261	3.3
163.11160	2.8
169.10164	3.5
171.11716	6.1
173.13275	3.3
175.11195	2.5
177.12790	8.1
181.12201	2.4
185.13240	4.0
195.13808	6.9
210.68228	2.6
223.13402	3.0
246.35466	2.4
262.98166	4.0
273.18558	11.1
291.19547	8.7
344.14587	13.0
344.18649	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03510	2.7
53.03934	5.2
55.01875	6.7
55.05513	35.0
56.52249	2.6
57.03433	6.6
59.05008	6.0
61.17849	2.8
65.03928	5.2
67.05503	100.0
69.03424	7.9
69.07076	20.8
70.05161	5.4
70.05502	3.5
71.01340	6.6
71.05003	17.5
79.05493	61.3
81.03403	14.1
81.07056	48.5
83.04975	11.6
83.08630	15.3
85.06538	3.1
87.04485	3.4
89.06028	6.7
91.05488	43.6
93.07046	49.3
95.04965	26.8
95.08607	39.8
97.02871	3.0
97.06545	7.3
97.10149	17.9
103.05423	3.0
104.99268	28.8
105.04510	3.5
105.07021	20.9
107.08591	29.1
109.06561	6.1
109.10159	27.9
117.06982	5.7
119.08579	15.7
121.10146	14.4
123.08063	11.7
123.11652	3.1
125.09612	14.9
131.08556	6.3
133.08623	3.2
133.10126	9.0
135.08017	4.6
135.11694	3.2
137.09618	9.9
139.11136	3.6
141.77257	3.3
142.05772	3.6
145.10196	3.3
149.09650	7.3
155.10730	3.0
173.11754	8.9
180.60612	2.9
189.11195	13.5
213.16290	3.4
262.98120	26.4
275.20071	8.4
344.31461	3.5
361.22092	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19840	12.0
55.05527	13.7
67.05507	13.7
69.07072	15.1
70.59300	23.8
76.48076	13.0
81.07047	21.6
83.04942	19.4
89.06023	26.6
95.08613	19.4
100.35092	13.4
104.99259	100.0
119.20040	16.2
201.45216	13.0
231.50064	13.7
262.98117	93.9
326.34650	13.6
345.20346	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	344.316
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
55.01878	0.5
55.05511	8.2
57.07076	5.3
60.04532	1.7
62.06089	100.0
63.05766	0.3
63.06414	0.4
67.05506	4.1
69.07066	9.9
69.21601	0.7
69.22007	1.1
70.02955	9.3
70.03326	0.6
71.08636	2.8
77.36564	0.3
79.05497	2.6
81.07054	4.1
83.08617	7.5
85.10161	1.6
86.06048	0.6
87.04472	0.9
88.03458	0.7
88.03995	14.5
88.09093	0.3
89.06020	0.6
91.05471	0.4
93.07047	3.7
95.08613	3.7
95.59311	0.3
97.06522	1.7
97.10176	4.8
98.06064	0.6
99.04472	0.6
104.99285	1.2
107.08595	2.1
107.46968	0.3
109.10162	1.7
111.08044	0.5
111.11731	1.2
112.07692	0.5
115.41589	0.3
121.10147	3.9
125.13226	0.4
133.08662	0.5
135.11690	2.2
142.17392	0.4
149.13222	0.8
151.07506	0.5
151.51665	0.3
151.88321	0.3
208.68547	0.3
247.24228	1.2
250.67712	0.4
262.98264	0.8
265.25146	0.4
282.27917	0.6
284.29550	0.8
308.29492	3.4
309.27737	3.8
310.28326	0.5
326.30515	68.7
327.30899	5.1
344.31586	26.1
345.31818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1156
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
55.05503	0.9
56.12651	0.7
60.04512	1.6
60.26994	0.7
69.03423	2.1
69.07059	1.7
69.24389	1.7
69.24796	2.5
72.08150	2.1
73.02888	0.7
79.05490	0.8
81.03394	1.5
81.07045	0.8
85.02917	1.6
86.09679	1.0
89.06028	8.5
90.06359	2.8
91.05473	2.2
93.07029	1.4
97.02882	2.0
104.07076	0.7
105.06991	1.0
106.53876	0.7
107.04929	1.5
119.08573	0.9
123.08118	0.7
124.07551	1.8
127.03924	1.2
131.04916	1.2
131.08575	6.4
133.08620	4.9
134.08923	3.4
135.04407	1.4
137.05954	4.6
137.09586	0.9
138.09158	0.8
140.45503	0.8
147.04425	1.1
148.04732	2.1
149.05942	0.9
151.03896	10.9
165.05554	1.3
167.06975	1.0
177.11203	1.7
178.11539	1.5
183.02919	0.9
183.06529	5.7
183.10161	0.8
184.09769	1.5
207.32346	0.7
227.05205	1.2
241.10622	1.0
259.11572	1.2
271.04288	1.5
285.10965	1.2
301.12589	15.4
302.12900	1.6
310.12839	1.0
313.08975	2.9
328.20651	4.0
328.24091	0.8
345.11523	100.0
346.03687	1.9
346.12024	5.8
346.25919	1.3
364.04974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
59.73203	0.5
69.03416	0.8
69.07057	1.0
70.69695	1.0
81.07049	0.7
85.02918	0.9
86.09696	0.7
93.07021	0.8
94.06567	0.7
95.04954	1.0
95.08607	1.0
105.06978	0.6
111.01769	0.6
119.08528	1.0
121.02842	1.4
122.03206	0.8
122.06030	0.8
128.07106	0.8
131.08551	3.2
137.05957	7.8
140.07008	1.1
147.08025	0.8
149.05908	0.6
149.09624	3.9
151.07428	0.7
167.07007	0.7
172.03932	1.3
183.08475	0.9
204.06573	2.5
259.11557	2.1
267.28262	0.6
271.04370	1.1
276.65558	0.6
301.12595	14.5
302.12357	0.7
345.11530	100.0
346.11884	6.1
358.95218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1181
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
53.03949	0.5
55.01867	0.9
55.05510	0.4
56.13861	0.4
56.96545	0.5
57.03428	1.2
60.04531	0.6
60.26686	0.4
61.02921	1.4
65.03944	1.1
67.05494	1.5
69.03423	4.5
70.06579	0.5
71.04969	0.4
72.08140	0.9
73.02911	0.6
76.11646	0.5
79.05482	0.5
81.03413	1.7
85.02906	21.2
86.03255	0.7
86.09700	1.5
93.07041	1.5
95.04942	1.9
97.02877	3.9
99.04440	0.6
103.05449	0.7
105.07021	0.6
108.02122	2.0
109.02892	2.3
109.06542	0.5
111.04433	1.5
119.08539	1.0
121.04000	1.2
121.06512	3.2
123.04427	0.6
127.03877	2.7
137.05972	1.0
145.04974	1.7
149.05963	2.6
151.03906	100.0
152.04245	3.4
154.02591	1.5
158.72751	0.4
183.06538	16.9
193.05084	0.9
214.11766	0.5
313.09265	1.5
330.18069	0.4
331.10327	0.5
345.11026	1.5
345.15100	6.9
346.03812	1.2
346.25897	0.7
364.04770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
51.49646	2.4
65.03949	6.1
69.21851	8.7
69.22248	4.8
77.64575	2.9
79.05502	2.9
81.07056	2.8
85.06490	2.5
93.03399	3.4
96.02098	4.2
100.55019	2.3
102.01744	2.4
104.29731	2.7
104.99279	11.4
107.01299	4.1
107.04803	2.6
111.04438	24.2
112.21959	2.3
121.06429	3.6
129.07004	2.6
139.03896	15.5
144.05679	2.9
145.06514	4.5
157.06538	4.9
159.08029	7.5
160.08829	4.9
161.06006	5.1
161.09575	3.1
163.67137	2.5
165.06958	4.4
167.03432	5.5
167.08543	2.8
168.05748	5.0
169.06508	5.6
178.07733	6.7
179.08470	6.3
181.06497	7.4
183.08032	7.1
185.06012	5.9
185.09578	3.1
187.07558	4.5
188.08316	10.3
189.09145	4.2
195.08029	5.8
196.05206	3.1
196.08881	4.9
198.06816	22.6
199.07440	4.2
200.08333	3.0
207.07971	7.0
208.08803	4.1
209.05983	6.1
209.09657	3.0
210.06697	3.3
211.07527	10.9
211.11169	7.2
212.08302	4.0
213.05472	8.0
213.09052	5.7
223.07545	9.0
224.04756	3.2
224.08316	6.0
224.37239	2.8
225.09084	4.4
226.06198	8.8
227.07021	4.7
228.07816	4.6
235.07506	3.8
236.08278	2.8
238.06192	2.9
238.09840	10.1
239.07043	21.3
239.10602	16.9
240.07802	11.4
241.04869	3.9
241.08553	11.9
243.06583	12.4
249.09109	6.2
251.06857	3.0
252.07703	4.5
253.05086	4.1
253.08569	11.7
253.12219	2.9
255.06491	3.8
256.07303	15.3
257.07678	2.8
258.09021	3.6
262.98218	9.4
267.06830	5.6
267.10147	30.0
268.07272	20.5
268.10336	4.3
269.08081	22.9
270.08557	4.5
271.09586	5.3
271.13220	4.8
281.08035	4.9
284.06894	6.2
284.10477	7.8
285.11029	5.0
286.08432	5.0
295.09561	8.4
296.10400	12.3
297.10745	3.0
299.09180	100.0
299.12698	15.0
300.09540	4.7
313.10730	20.7
327.12265	81.0
328.12720	4.5
345.13318	53.8
346.13876	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	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44775	0.3
57.56272	0.3
67.05495	0.4
67.18230	0.3
67.40856	0.3
69.59193	0.9
79.05500	0.7
85.02924	0.5
91.05481	0.8
95.08653	0.4
99.04413	0.3
100.83595	0.3
105.03384	0.3
105.07074	0.6
107.04952	0.8
109.06481	0.4
119.08555	0.5
121.06516	0.5
121.10121	0.6
124.05205	0.9
137.05954	0.6
139.07539	1.9
146.08865	0.3
149.05984	0.5
163.07515	0.4
165.05447	0.7
165.09100	0.5
183.06514	4.3
183.09938	1.6
185.04243	0.5
203.05295	0.5
243.10855	0.5
252.67104	0.3
269.08774	0.3
297.02078	0.3
345.15186	100.0
346.15530	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	345.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56855	0.3
52.64687	0.3
55.05521	0.4
67.05476	0.4
70.69267	0.5
81.07059	0.6
85.02904	0.5
91.05480	1.0
93.07070	0.6
95.08607	0.5
96.78555	0.3
97.02891	1.9
97.06512	0.3
105.07035	0.6
107.08607	0.7
109.02840	0.4
109.10108	0.5
119.01900	0.4
119.08558	0.6
121.10143	0.8
135.11693	0.4
137.05960	3.2
149.05980	0.4
159.11745	0.4
161.05997	0.3
163.07541	0.9
165.09094	1.3
167.03235	0.4
175.07489	0.6
183.10028	1.1
185.04242	0.8
198.21420	0.3
201.16333	0.5
203.05219	0.7
219.17404	0.6
243.10825	1.0
275.74048	0.4
315.19577	1.7
345.15189	100.0
346.15558	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	345.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47177	0.4
69.47505	1.5
72.85812	0.4
80.32030	0.4
85.02914	0.8
104.99296	0.5
117.93205	0.3
121.65569	0.3
133.02831	0.7
137.05977	2.1
165.05489	0.4
165.08870	1.6
177.01804	0.4
181.04930	0.9
183.06541	0.9
183.09879	1.7
191.03394	0.9
191.06961	0.4
193.04985	0.6
197.04427	0.8
203.05263	2.5
203.06912	0.4
205.05038	0.4
209.04475	0.9
214.41380	0.4
219.06676	0.5
221.04521	0.5
233.04454	0.5
247.06081	0.6
251.05592	0.7
263.05518	0.9
275.05460	0.6
278.73120	0.4
287.11316	0.5
293.06525	0.8
301.36288	0.3
327.14169	1.4
345.15195	100.0
346.15454	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	345.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05047	0.4
54.78191	0.4
55.01859	0.4
55.05499	0.6
67.05499	1.2
69.03423	1.4
69.07066	2.9
70.10541	1.2
71.04994	0.8
75.64041	0.3
79.05482	0.5
81.07062	4.4
83.04968	0.7
83.08636	0.5
85.02901	1.7
85.06528	0.9
86.06091	0.6
86.09718	0.4
87.84436	0.4
91.05494	0.6
93.07013	0.8
94.06568	1.6
95.04971	0.9
95.08611	1.4
97.02889	0.5
97.06506	0.6
99.04485	0.6
99.08092	2.0
105.07076	0.9
107.08609	0.6
109.06506	1.2
109.10133	0.8
111.08088	0.6
116.05013	0.7
119.08607	0.8
121.06554	0.5
121.10139	1.6
122.06012	2.3
123.08080	0.8
123.11678	1.1
125.09638	1.7
127.07551	0.5
132.06531	0.5
133.10149	0.4
139.11191	1.5
140.07043	2.9
142.08620	0.7
144.04446	1.1
145.04892	0.5
146.06044	1.0
147.11664	0.5
147.34421	0.4
154.08589	0.8
162.05548	1.1
165.12698	0.9
172.03946	5.0
174.05533	0.4
183.10034	2.0
183.13800	20.7
184.14131	1.2
185.04245	1.0
190.05026	0.6
198.11308	0.6
199.11646	1.4
203.05289	2.8
204.06560	9.7
206.08171	1.5
214.33316	0.5
216.12289	0.6
217.12637	1.1
243.10765	0.5
248.08681	0.4
253.14473	0.6
302.15900	0.6
302.19678	0.5
345.15195	100.0
346.15472	5.2
358.70755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19535	0.4
52.86384	0.4
55.05501	0.5
57.32198	0.4
60.04527	5.1
67.05505	0.8
69.07044	0.4
72.04475	0.3
79.05516	0.9
81.07050	1.7
91.05490	1.3
93.07039	1.0
95.04934	0.5
95.08597	1.1
97.10176	0.5
103.05460	0.4
103.64822	0.4
105.07022	0.6
107.08597	0.8
109.10140	0.5
113.21465	0.4
117.07015	0.5
119.08586	0.5
121.10143	0.8
131.08572	0.6
133.06505	0.5
133.10088	0.6
135.08083	0.7
137.05978	3.4
143.03134	0.5
147.11700	0.5
149.05934	0.5
151.07530	0.4
163.07593	2.4
164.07997	0.5
165.10294	0.6
183.09935	4.5
185.04234	1.9
203.05264	8.8
217.34605	0.4
272.94507	0.4
328.24951	0.6
336.33463	0.4
345.15204	100.0
346.15536	5.9
346.25848	5.5
364.62988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01864	0.6
57.03426	1.1
57.61119	0.4
61.02920	2.4
67.54310	0.4
69.03426	4.6
69.22408	1.7
69.22815	0.9
71.01347	0.4
71.05000	0.6
76.30148	0.4
79.05480	0.5
81.03410	1.7
83.06081	0.7
85.02904	13.2
87.04453	0.9
87.91887	0.5
91.03921	0.6
91.05466	0.9
93.04531	3.4
93.07061	0.6
94.04200	0.9
95.05043	0.5
95.06094	5.0
97.02908	3.8
99.04453	0.5
103.05446	1.5
105.07070	0.5
109.02851	1.3
109.07631	1.0
111.05596	0.8
118.05262	1.1
122.03634	1.6
123.05550	20.2
124.06388	2.1
124.65257	0.5
127.03910	2.1
131.04921	1.7
133.06500	2.3
133.07614	5.4
134.08400	1.3
135.05466	0.7
135.08018	1.3
135.09113	0.6
137.05968	15.1
137.07071	2.8
137.10748	1.0
139.08647	0.6
141.06584	1.3
145.04945	1.3
149.06023	0.5
150.07898	1.6
151.07542	0.9
163.07541	5.2
165.10237	100.0
166.10603	3.2
167.10666	1.4
170.55241	0.4
183.11295	100.0
184.11679	2.8
200.07951	0.4
295.13229	0.5
329.06778	0.6
345.09613	0.8
345.16721	2.9
345.20688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22121	0.5
56.52020	0.5
59.65049	0.6
60.04512	0.9
67.05508	0.9
69.07081	0.6
79.05492	1.6
81.07048	1.4
84.37270	0.5
91.05462	2.5
94.04196	3.9
95.04975	1.1
97.06512	0.8
103.05459	9.1
104.05820	0.6
105.07021	6.0
107.04925	1.4
109.06570	1.2
115.05440	1.1
117.07012	1.1
120.31682	0.5
121.06512	2.7
122.03643	9.4
128.06148	0.8
129.06973	0.8
131.04919	11.7
133.05437	0.6
133.06487	21.6
135.08047	7.1
137.05969	100.0
138.06313	3.6
143.08559	1.0
145.06487	2.4
147.08057	1.5
149.05988	1.4
151.07538	5.7
157.06422	0.8
163.07538	31.2
164.07872	2.3
165.09109	0.7
165.12782	0.8
171.08043	1.2
175.07579	1.8
177.09041	0.8
187.07590	0.6
189.09120	2.0
203.10667	1.7
235.11212	0.8
248.08051	0.6
263.10693	1.3
295.10132	0.6
295.13214	3.2
327.15884	1.8
343.19833	0.7
346.21088	5.4
346.25504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
67.05495	0.9
70.67857	1.1
70.68176	0.9
75.87412	0.8
77.73273	0.8
79.05494	2.6
81.07065	1.3
91.05456	4.0
93.07034	2.2
94.04188	1.5
95.05045	0.8
95.08619	1.2
98.23348	1.0
103.05455	8.1
105.07037	1.5
107.04958	1.6
107.08585	1.1
108.08137	1.1
109.06536	1.0
110.46638	0.8
115.05461	1.2
117.07014	3.0
119.04961	1.5
119.08571	1.0
121.06506	3.2
122.03635	2.9
123.08080	2.1
128.06204	1.3
131.04924	18.1
132.05333	0.9
133.06413	0.9
135.08046	1.2
137.05969	44.9
137.09520	0.9
138.06291	0.9
143.08540	2.0
145.06517	1.3
147.08084	1.1
149.05943	1.5
149.09654	0.9
151.07518	11.5
161.05995	1.6
161.09624	2.6
162.06772	1.6
163.07539	37.0
164.07904	1.7
165.09132	1.4
175.07518	4.5
177.09103	100.0
178.09451	4.8
195.10201	7.6
203.10631	1.0
204.06534	1.0
207.10254	1.2
213.05438	2.2
221.11720	6.4
229.04877	1.2
256.07211	0.9
259.06323	0.9
269.04413	1.0
272.06778	1.4
278.23312	0.9
284.06805	3.8
287.05490	1.0
299.12735	2.2
300.06238	1.5
300.19550	0.9
301.06982	2.4
301.19901	3.7
314.04190	2.8
315.04837	1.0
327.05374	0.9
329.06525	17.2
330.07288	9.6
345.09677	41.6
345.18991	1.2
345.22488	5.4
346.10110	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	345.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98701	0.9
54.00597	0.7
55.01878	1.9
57.03438	1.4
61.02922	2.4
65.03947	0.9
69.03434	5.0
69.50779	2.0
69.51166	1.8
69.72406	0.8
72.08143	1.0
79.05492	2.0
81.03410	2.4
81.07066	1.2
83.34727	0.8
85.02899	14.2
86.09711	1.4
87.29071	0.8
91.05478	3.1
93.04524	3.3
93.07018	1.8
94.04185	1.8
95.04954	1.3
95.06079	6.0
97.02897	4.7
98.22746	1.5
103.05479	6.5
105.07046	3.8
107.04980	1.5
107.08601	1.1
109.02872	2.1
109.06515	1.5
111.05627	0.8
115.05518	1.1
118.05324	1.6
119.59130	0.8
121.06518	1.7
122.02856	1.1
122.03650	6.2
123.04651	0.8
123.05545	19.0
124.06342	1.9
127.03927	1.8
131.04948	6.5
131.08517	1.0
131.38000	0.7
133.06497	10.5
133.07619	4.0
135.05463	0.9
135.08063	4.1
137.05988	64.0
137.07010	2.5
137.10898	0.8
138.06326	2.5
139.08621	1.3
145.05002	1.7
145.06465	1.7
147.08061	1.0
150.07895	1.2
151.07547	3.1
158.11819	2.1
161.09518	0.8
163.07555	22.0
165.10236	100.0
166.10591	3.3
167.10670	1.0
175.07553	1.0
183.11293	91.0
184.11612	4.1
189.09111	1.6
203.10571	1.1
263.10764	1.2
285.11380	0.8
295.13165	1.2
329.06421	1.4
345.09695	3.3
345.16891	2.2
345.20956	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	345.2429
Annotation	Sargachromanol B
Peak:m/z	Relative Intensity
54.93452	0.7
55.05515	5.9
57.07061	2.5
67.05508	8.1
69.07056	5.3
69.57496	2.1
70.06570	2.3
71.04973	1.1
71.08626	1.6
79.05495	4.2
81.07061	9.6
83.01329	1.9
83.08601	3.8
88.07635	9.7
89.07971	0.9
91.05480	4.3
93.07045	2.7
95.08613	10.0
96.67517	0.8
97.10180	2.7
98.23000	2.7
104.99276	26.1
105.07030	3.1
106.08649	2.1
106.92041	0.8
107.08629	1.3
109.06526	1.6
109.10174	4.2
117.07021	2.3
119.08563	2.1
121.06495	4.7
121.10145	1.8
123.08025	2.2
123.11691	2.4
125.06026	0.9
128.06274	1.0
129.07037	5.7
131.08585	5.9
135.08043	2.7
137.05980	100.0
138.06721	2.8
139.07513	0.9
141.06999	1.2
143.08569	1.6
145.06470	2.0
145.10133	2.8
147.08067	4.6
149.05975	1.3
149.09651	2.9
151.07559	17.6
153.05528	1.7
153.09119	4.0
155.08582	1.3
157.06467	1.1
157.10072	1.6
158.07231	1.1
159.08049	7.5
161.09648	4.5
162.06741	1.1
163.07559	21.1
163.11212	2.8
163.92589	0.8
165.09105	2.5
167.07053	1.6
167.97218	0.8
171.08037	1.4
171.11740	1.1
173.09674	2.1
174.06752	1.1
175.07559	4.6
175.11198	1.9
176.08318	1.0
177.09117	54.8
178.09555	2.5
179.07065	0.8
179.10654	1.3
181.08624	12.2
183.46088	0.8
185.09613	2.2
187.07530	2.7
187.11250	2.7
189.09106	6.1
189.12697	1.7
191.10670	28.2
192.11041	1.9
193.12242	2.6
197.09662	1.2
197.13277	1.2
198.98766	1.2
199.11182	1.2
201.09138	1.9
201.12721	4.1
203.10698	3.1
205.08592	2.4
205.12238	2.4
207.10216	7.0
207.13783	9.4
215.10641	3.1
215.14279	1.1
217.12238	3.6
219.10118	5.5
219.13818	1.1
221.11710	9.5
221.15334	1.8
229.12202	2.0
233.11682	2.6
235.13036	1.1
243.13838	1.1
247.13327	3.0
253.19562	1.1
262.98169	20.4
281.18918	4.4
284.26669	1.6
285.22101	6.6
298.30963	1.7
303.23193	72.1
304.23523	5.8
313.21609	5.4
317.24789	0.9
327.23245	5.0
342.87238	1.1
345.20697	1.4
345.24234	41.0
345.27505	1.5
345.31894	4.4
346.23907	1.9
346.27209	3.6
346.33185	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	345.2426
Annotation	Sargachromanol B
Peak:m/z	Relative Intensity
55.01908	0.5
55.05512	2.5
57.07072	1.5
65.28570	0.4
67.05506	3.4
69.07063	2.2
69.65649	1.2
79.05483	0.9
81.07052	4.0
83.01364	2.2
83.08605	1.1
88.00439	0.5
88.07624	0.6
89.06458	0.4
91.05478	1.2
95.08600	4.0
97.10159	1.2
98.23225	1.3
100.55257	0.5
104.99262	1.4
105.07029	0.6
107.08577	0.7
109.06505	1.8
109.10167	2.2
117.07018	0.6
121.06504	1.8
123.11707	1.3
125.06023	0.8
131.08559	1.2
135.08009	1.3
137.05977	100.0
138.06303	2.6
145.06528	1.1
145.10155	0.9
147.08035	0.8
149.09636	3.5
151.07561	6.3
159.08080	2.0
159.11685	0.4
161.09653	0.8
162.06757	1.2
163.07536	19.8
163.11148	0.7
164.07973	0.5
165.09151	0.8
173.09642	1.1
173.13272	1.1
175.07597	1.1
177.09108	51.9
178.09435	2.9
179.07072	0.8
179.10718	0.6
182.92433	0.5
184.64703	0.5
187.11186	1.1
189.09094	1.6
191.10672	14.2
193.12273	1.8
201.09091	1.2
201.12735	3.0
205.12360	0.8
207.13797	7.7
208.14235	0.6
215.10693	2.0
215.14299	1.3
219.10190	2.0
221.15396	1.5
229.12215	0.8
233.11752	1.8
257.22705	0.9
262.98157	1.3
285.22052	3.0
301.21600	0.9
303.23181	72.6
304.23462	6.0
313.13037	0.5
323.11719	0.7
327.23154	5.4
334.11685	0.7
341.12711	1.8
345.24268	5.4
346.32947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65759	9.3
58.88564	12.3
60.39464	9.7
69.03442	13.2
69.46018	50.0
73.81711	10.8
85.02905	34.5
110.71878	10.0
127.28561	10.7
133.02869	24.8
147.83968	11.0
159.04369	22.2
175.03984	18.1
176.04622	16.3
177.01816	38.4
177.05309	13.1
178.02429	12.1
179.03442	20.3
181.04971	91.4
191.03447	41.1
193.04987	43.6
195.02930	37.1
197.04488	25.4
204.04094	15.5
205.04904	28.5
209.04506	100.0
210.04669	11.6
219.06541	24.5
221.04462	53.3
233.04399	53.8
235.06073	14.8
237.03877	14.1
245.04474	14.6
247.05969	52.3
251.05542	69.4
263.05536	85.7
275.05472	69.6
281.06577	18.7
293.06586	58.8
311.07614	43.0
329.08710	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01865	2.4
57.03442	6.2
60.04528	45.9
61.02925	11.3
63.56802	1.1
67.05497	4.7
69.03429	17.0
69.83687	2.4
69.84312	1.1
71.04984	3.6
72.04506	2.1
73.02898	3.7
79.05490	6.2
80.05054	1.6
81.03412	10.3
81.07057	6.6
82.10297	1.3
84.04472	1.4
85.02903	100.0
86.03231	1.4
86.09689	1.3
87.04451	2.0
91.03996	5.7
91.04588	1.1
91.05465	6.7
93.07034	5.5
95.08612	4.0
97.02892	28.5
99.04438	5.0
99.08080	1.7
103.05472	10.3
105.07014	3.3
107.04944	4.5
107.08577	1.9
109.02876	8.2
115.03886	1.6
117.07005	2.4
119.08560	1.7
121.06503	80.8
121.10154	2.6
122.06837	3.3
125.07122	1.7
127.03907	25.6
131.04926	4.0
131.08542	2.4
133.10146	1.9
137.05931	1.6
139.07556	2.5
145.03827	2.5
145.04955	45.1
145.10155	1.5
147.04399	1.8
149.05971	11.2
154.61839	1.2
163.06029	9.8
167.06981	14.6
167.08199	2.8
180.08698	1.7
181.06587	1.5
184.09647	2.0
190.47823	1.5
202.02689	1.7
239.06908	1.4
245.04434	2.8
301.03387	10.6
308.06488	1.2
310.24127	1.8
310.29718	1.2
317.10376	1.3
328.24780	6.8
329.12347	1.8
346.25858	43.4
347.03897	8.4
347.26218	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	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73972	0.3
57.03434	0.8
61.02916	0.8
63.60336	0.3
67.05513	0.3
67.14177	0.4
68.99746	0.3
69.03417	1.0
70.45856	0.8
73.02877	0.4
74.17595	0.4
85.02912	4.4
93.07062	0.5
97.02888	1.1
103.05486	0.4
107.04943	1.0
118.55783	0.3
121.06516	4.8
125.05996	23.2
126.06291	0.6
127.03912	0.9
131.04977	0.5
133.02872	0.5
138.05507	0.7
139.03937	0.8
145.05006	1.0
149.05977	3.8
159.04420	0.7
166.04985	0.7
167.07039	100.0
168.07388	4.0
177.01834	0.9
180.06589	0.4
180.08618	0.5
181.04958	1.8
184.05994	0.6
187.03847	0.7
191.03340	1.1
194.00627	0.4
195.02927	0.7
197.04478	1.0
205.04973	1.1
208.06047	0.7
209.04477	1.7
221.04367	1.0
233.04416	1.0
245.04373	0.4
247.06013	0.9
251.05554	2.1
263.05469	1.8
275.05405	1.4
280.02124	0.4
293.06567	1.1
311.07584	0.7
329.08566	0.8
346.11429	0.7
346.15375	1.1
347.12964	1.5
347.16754	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	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01874	1.4
55.05515	2.5
59.25435	0.7
60.04531	2.0
67.05508	2.1
69.03432	2.3
69.07061	1.1
70.77545	0.9
71.05000	2.2
73.97672	0.8
79.05494	8.0
81.07055	6.1
91.05476	7.6
93.07040	1.9
95.04971	5.0
95.08649	1.1
97.02962	0.8
97.06533	3.2
99.04465	6.9
100.11261	2.9
105.07044	10.3
106.10345	0.8
107.04987	4.7
107.08592	1.7
109.06516	2.4
109.10168	3.2
111.04449	3.4
117.07022	3.2
119.08595	6.8
121.06480	2.1
125.06007	4.9
128.06226	4.6
129.07021	2.0
130.07771	1.3
131.08563	1.7
133.06569	1.2
133.10129	12.4
137.09631	5.4
143.08569	23.5
144.08992	1.1
145.10121	9.8
146.07291	2.5
147.08047	9.1
154.12267	1.0
161.09625	100.0
162.09988	3.1
165.09106	10.7
168.72510	1.0
171.08066	3.4
174.06841	1.4
179.10666	2.7
181.04971	1.4
189.09109	33.8
190.09496	1.5
207.10176	64.6
208.10609	2.8
225.11208	4.6
265.10632	1.1
291.86417	0.9
310.11783	0.9
346.23621	1.2
347.22125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45622	0.2
57.03427	0.6
60.00272	0.3
60.04533	1.6
61.02930	0.7
63.87906	0.3
69.03432	1.6
70.71581	0.5
73.02900	0.5
79.24525	0.3
80.84658	0.3
81.03420	0.6
85.02901	3.5
87.04465	0.6
89.83982	0.3
90.64022	0.3
91.03919	0.4
91.05491	4.3
93.07042	0.4
95.08573	0.3
97.02888	1.3
105.07001	0.4
107.04924	1.8
115.05472	0.5
116.06243	1.4
119.08578	0.7
121.10224	0.3
127.03896	0.6
129.06993	1.1
131.08566	100.0
132.08913	3.9
145.10147	0.4
149.09621	4.4
167.08182	0.6
177.05484	0.8
185.09315	0.7
197.09613	0.3
207.92976	0.3
257.11588	0.5
301.03473	0.4
315.30881	0.3
346.25827	1.7
347.19559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01377	0.5
55.01861	1.4
55.05500	1.8
55.40316	0.6
57.03411	1.4
60.04523	3.4
61.02908	0.9
67.05494	0.9
69.03426	4.6
71.04984	0.9
77.03928	0.6
79.05485	2.2
81.03406	1.4
81.07073	1.0
85.02901	12.1
91.03936	0.7
91.05470	2.9
93.07047	8.2
94.37624	0.6
95.04974	1.4
95.08568	0.9
97.02887	3.4
105.07022	3.2
107.04951	21.2
107.08577	2.6
109.02882	0.9
109.06572	0.6
116.12518	0.6
119.08595	0.9
121.06500	6.6
121.10132	9.9
127.03935	2.8
131.08597	4.3
133.10046	0.7
134.07300	1.0
137.05890	1.4
137.09647	1.4
139.03940	0.6
145.04955	4.9
148.35310	0.6
149.09615	100.0
150.09906	4.8
163.05995	0.8
163.07527	0.8
167.10667	1.4
173.09560	1.0
180.08638	3.0
185.09674	1.2
191.70705	0.7
207.87660	0.6
215.10751	0.7
311.14871	30.9
312.15305	1.7
328.24893	0.7
342.30286	0.6
346.21893	0.9
346.25586	2.9
347.07700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	31.1
57.07063	18.1
67.05498	100.0
69.07065	41.3
71.13450	16.3
79.05479	43.3
81.07052	60.2
83.04969	28.8
83.08621	23.5
91.05486	58.5
93.07041	55.9
95.04986	22.3
95.08603	64.2
97.10184	25.4
104.99268	37.6
105.07019	18.4
107.08589	32.7
109.10181	30.7
112.22079	12.8
113.09626	15.6
119.08569	15.4
121.10153	46.3
125.09601	35.1
133.10100	25.8
135.11681	19.4
137.05949	19.3
140.40785	14.6
141.25708	16.2
145.10109	20.7
149.09642	23.7
167.10637	19.6
248.82286	13.8
262.98663	16.1
275.20038	17.2
293.21124	38.2
346.29700	22.8
347.48532	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64538	2.7
54.36026	3.0
55.01874	4.1
55.05507	24.9
57.03446	6.5
59.05014	3.4
64.32047	3.2
66.11868	3.1
67.05510	69.1
69.07072	23.4
69.25172	11.4
79.05494	32.5
81.03381	3.1
81.07060	59.2
82.07374	3.8
83.00056	3.1
83.04991	3.7
83.08627	19.9
84.08929	3.6
85.06562	4.5
91.05486	19.3
91.28970	2.7
93.07053	28.6
95.04964	6.0
95.08614	28.9
97.06530	7.3
97.09631	4.2
97.10163	20.9
105.07023	17.5
107.04989	3.8
107.08606	50.0
109.06531	8.1
109.10168	68.7
111.08123	3.8
117.07003	7.1
119.08572	19.1
121.10159	13.0
125.09589	11.1
128.97176	2.8
131.08594	9.9
133.10133	22.0
135.08092	3.6
135.11728	8.8
137.09595	7.2
143.08536	3.4
145.10127	6.8
147.11688	5.3
149.09618	9.7
149.13283	18.9
155.10677	40.0
155.63600	3.1
156.35591	3.7
159.11678	11.6
161.13263	4.7
163.11148	5.1
164.56085	2.8
171.10193	3.5
173.11740	100.0
173.13242	6.0
174.12047	3.0
177.12738	7.1
189.09715	3.6
189.11179	19.2
195.13852	39.6
198.58498	3.0
213.14877	22.7
215.80437	2.8
216.74887	3.2
236.27765	3.3
239.17960	3.1
257.18964	11.3
275.20074	63.2
276.20468	6.7
293.21121	15.8
299.57971	2.7
309.45529	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0975
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.88785	1.4
53.97919	1.4
57.03451	2.8
69.03426	2.6
70.06593	4.9
72.08145	1.8
77.13696	1.6
79.05484	2.8
81.03423	1.8
85.02900	12.1
86.09697	1.6
86.31954	1.2
86.68698	1.6
97.02885	4.3
100.49497	1.3
101.00903	4.6
107.04953	2.1
113.03483	1.8
119.01923	3.3
121.02866	2.8
123.04433	26.4
125.05981	3.5
127.03987	2.0
133.02769	1.9
136.06181	14.3
138.03102	5.4
139.03873	6.0
143.01894	20.1
145.04900	3.0
147.04413	2.1
147.07640	1.3
149.02341	1.6
150.03122	6.9
151.03891	8.7
153.01820	7.7
153.05453	4.0
159.04387	2.5
161.02998	17.1
162.03116	2.7
165.05537	2.0
166.02609	5.5
166.04979	3.8
167.03362	3.1
167.05379	3.4
167.07004	4.3
168.07368	4.7
169.04962	17.1
175.11848	1.9
176.04724	1.8
177.01875	10.5
177.05424	2.4
179.03381	2.6
181.04959	47.7
184.06061	2.9
185.04463	1.5
185.06483	2.7
185.09200	6.2
187.03928	1.9
190.02516	1.5
191.03377	5.4
193.04926	1.5
194.02133	8.0
195.02914	14.4
197.04500	4.9
203.03998	6.1
205.04990	5.6
209.04453	100.0
210.04738	4.7
215.03668	2.0
219.06541	3.1
221.04526	2.9
225.03912	2.3
227.05571	2.0
233.04387	10.9
235.06044	2.6
247.06061	5.4
251.05498	4.7
263.05472	4.8
275.05527	5.7
287.09814	4.7
293.06555	2.9
300.98492	1.6
305.10474	2.1
323.01028	1.6
347.07092	2.9
347.12994	7.0
348.07150	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66514	0.4
56.48232	0.4
57.03429	0.5
60.04527	0.7
61.02939	0.6
69.03424	1.2
70.06593	3.5
70.99867	0.5
80.04185	0.4
81.03415	0.8
82.99818	3.1
85.02911	6.1
91.03943	0.5
95.04981	0.5
97.02898	1.4
101.00883	17.1
102.00967	0.8
108.65327	0.4
109.02891	0.5
112.65984	0.5
113.00877	1.1
113.03490	1.4
119.01924	17.8
120.01993	1.0
123.04433	18.8
127.03876	0.8
131.01913	2.4
136.06184	5.4
137.02980	0.8
139.03920	3.9
143.01903	100.0
144.01985	5.6
145.03542	0.5
145.04961	1.3
151.03925	4.9
155.01923	1.5
157.09738	1.1
161.02963	85.8
162.03113	4.6
167.03418	1.7
167.06961	0.6
167.08189	0.6
169.04939	9.0
169.06227	0.8
173.02965	1.1
180.08582	0.5
184.04553	1.2
185.04512	1.3
185.06558	1.5
185.09225	8.2
186.07622	0.6
197.06650	1.0
198.91479	0.5
201.06073	0.6
203.04012	47.9
204.04184	3.8
209.04460	0.8
221.05090	1.3
227.07680	2.1
245.04967	0.5
245.08853	0.5
263.06030	1.1
269.08691	0.5
278.06537	0.6
287.09763	14.2
288.10043	1.6
305.10803	1.0
335.41617	0.5
347.12033	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
61.02942	0.7
65.57909	0.5
69.03422	1.1
69.56439	2.0
73.81407	0.5
75.77786	0.4
85.02894	2.0
97.02879	1.2
98.21530	0.6
98.23387	0.9
103.29263	0.6
116.20957	0.6
143.03172	0.6
151.07489	1.2
167.06787	2.2
185.04228	3.0
185.07840	7.7
203.05255	6.8
262.81699	0.5
265.31021	0.5
285.13065	3.8
301.12564	55.6
302.12878	2.4
347.13116	100.0
348.13492	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	347.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
60.04518	1.3
61.02922	0.8
69.03441	2.2
69.04555	0.4
69.13850	2.0
73.02895	0.6
80.05013	0.5
81.03415	0.9
81.04546	0.4
84.08127	0.8
85.02907	5.5
86.03208	0.5
97.02889	2.0
97.07635	1.8
98.23540	0.9
107.06093	0.6
109.02916	0.6
110.04765	3.3
111.09222	0.5
121.06509	0.8
122.06791	0.6
124.06337	9.0
125.07119	25.0
127.03857	0.9
134.04720	0.5
137.06009	0.4
138.07826	2.0
139.08665	4.4
145.04942	1.4
149.07104	1.4
156.08110	0.3
167.08159	100.0
168.08513	2.7
185.09209	28.4
186.09641	0.8
291.05051	0.5
332.60693	0.4
346.25955	0.5
347.26416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1678
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
66.56756	0.4
70.13346	0.4
72.08175	0.5
85.02898	0.6
93.03422	0.6
111.04440	0.5
125.06002	1.4
136.06174	0.6
137.02298	0.6
151.03909	0.6
151.07538	0.6
169.04991	3.9
189.73677	0.4
206.04466	0.6
210.04686	0.5
210.12595	0.4
242.80795	0.4
301.12747	0.7
305.05164	0.8
327.83896	0.4
347.13107	7.2
347.16757	100.0
348.13275	0.5
348.17151	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	347.1679
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
50.06124	0.3
56.55127	0.3
67.05505	0.3
78.93471	0.3
79.05504	0.4
79.74144	0.3
81.07053	1.3
83.04988	0.6
85.02906	0.8
91.05481	0.8
93.07028	2.1
95.04988	0.5
95.08608	0.5
105.07043	1.3
107.08585	0.6
121.10157	0.8
123.11732	0.4
126.82575	0.3
133.10143	2.4
137.05972	0.3
161.35100	0.3
167.10707	0.6
185.11476	1.5
258.23331	0.3
285.18994	0.4
329.51712	0.4
347.16763	100.0
348.17102	6.4
348.21298	0.4
360.87488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1831
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
55.05492	1.5
56.96579	2.0
67.05511	2.1
105.07075	1.5
107.08612	1.8
109.10119	2.2
121.10153	1.8
137.05800	2.1
183.00931	1.3
194.00597	1.4
195.10002	11.6
245.04840	1.3
273.87228	1.4
329.17279	18.1
330.17661	2.2
347.18307	100.0
348.18695	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	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05057	0.5
57.07071	1.2
58.06585	0.4
70.06596	0.7
71.08615	0.8
71.43317	0.5
74.06068	1.0
78.41560	0.5
78.45572	0.4
79.05477	0.4
79.87312	0.4
81.07041	0.6
88.07632	4.0
95.59281	0.4
98.96602	0.4
104.26214	0.4
104.99285	0.6
118.08646	0.6
123.04420	0.5
127.41967	0.4
137.05980	1.7
193.05084	0.5
235.13133	0.6
249.14662	1.5
265.14099	0.8
269.51160	0.4
298.30988	1.2
299.31329	1.0
346.33194	5.3
347.21921	100.0
347.33334	7.4
348.22266	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60276	0.9
53.03956	1.2
55.01875	1.0
55.05510	7.9
57.07066	4.5
60.57678	0.9
62.68787	0.9
67.01855	9.0
67.05512	7.4
69.07059	7.2
71.08615	2.2
71.20513	1.1
79.05470	3.5
81.07066	5.6
83.01337	16.7
83.08607	2.6
83.20705	0.9
89.06017	1.0
91.05466	2.4
93.03374	1.7
93.07050	2.8
95.04964	2.3
95.08607	4.4
97.06538	2.8
97.10154	1.9
98.23333	1.0
105.03391	1.1
105.07029	1.8
105.15642	0.8
107.04953	1.0
109.06561	1.1
109.10154	2.1
117.07034	1.8
119.08612	1.2
121.06513	2.2
121.10127	2.1
123.04433	9.5
125.06037	5.6
129.06956	1.9
131.08553	2.3
135.04417	1.2
135.08075	1.4
137.05968	2.4
139.03886	3.5
142.07765	0.9
145.06450	3.2
145.10046	1.2
146.07556	0.9
147.04289	1.2
147.08043	2.9
149.06023	2.0
149.09604	2.3
150.96864	1.3
151.03925	6.9
153.05453	18.3
159.08018	2.5
160.71800	0.9
161.05952	2.9
161.09615	1.2
163.07509	1.9
163.11238	1.1
165.05495	9.9
167.03412	2.2
167.07028	1.4
169.04982	2.2
173.06033	1.0
173.09608	1.2
175.07576	7.1
177.05418	2.6
177.09076	3.7
179.06978	5.0
180.04260	1.3
181.04950	100.0
182.05263	2.9
187.07506	2.6
189.05522	1.2
189.09079	4.9
191.06992	5.2
191.10657	1.7
193.04947	1.2
193.08600	2.3
201.09076	3.3
201.12762	1.0
203.10608	1.7
205.08592	8.9
207.06532	1.5
215.10620	1.2
217.08655	2.0
219.10199	1.4
223.01198	1.0
231.10033	1.2
233.11633	0.9
270.22861	0.9
271.20560	2.3
289.21609	15.0
299.20004	3.3
300.88467	1.5
301.21500	3.6
317.20938	2.3
319.22635	8.1
329.21127	8.5
347.22031	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	347.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03934	0.5
55.01618	0.7
55.01871	11.8
55.05512	4.1
56.05035	4.6
57.03423	0.9
57.05370	0.5
57.07077	4.7
57.84362	0.5
58.06598	2.8
60.04515	1.2
65.03924	0.4
67.05156	0.8
67.05502	11.3
69.05312	0.5
69.07063	5.6
70.06592	2.1
71.04966	1.0
71.08634	3.8
73.23343	0.3
74.06078	4.8
79.05492	9.1
80.16771	0.4
81.07056	14.5
83.01365	0.7
83.04977	2.6
83.08620	2.1
85.06532	0.8
85.10173	1.4
86.06068	0.7
88.07629	18.9
89.07956	1.9
91.05477	10.1
93.07050	5.0
94.65851	0.4
95.04964	3.7
95.08606	8.0
96.05750	1.1
96.16106	0.5
97.06530	14.1
97.10159	1.0
98.06861	0.6
98.23193	2.5
99.08076	1.3
102.09156	1.7
103.05503	0.5
104.99307	0.5
105.04517	0.6
105.07021	3.7
107.04962	2.8
107.08592	3.2
109.06512	5.8
109.10159	4.0
111.08075	2.1
115.05426	0.6
117.07005	1.3
118.08674	2.5
119.08542	3.7
121.06511	1.9
121.10153	1.8
122.08144	2.2
123.04439	1.4
123.08099	1.4
123.11710	1.0
124.05209	6.1
125.06007	3.1
125.09617	1.9
129.07030	1.0
131.08586	0.9
133.06488	0.9
133.10132	5.2
135.08005	2.1
135.11693	0.9
137.05975	46.2
137.09592	1.0
138.06354	1.3
139.07536	64.0
140.04648	0.9
140.07884	1.2
145.06465	1.4
147.08025	1.5
147.11765	0.6
149.05945	0.6
149.13297	2.2
151.07523	5.6
152.07887	0.8
153.05440	5.8
155.07034	1.6
155.08661	0.5
157.06473	0.7
157.10182	0.6
159.08083	1.1
160.05200	0.9
161.06036	2.2
161.09639	0.5
163.07539	4.4
165.06747	0.8
165.09157	0.5
167.07034	100.0
168.07390	3.2
171.08057	0.8
173.09630	1.6
174.06845	0.6
175.07527	5.5
175.11237	0.6
175.14767	3.5
177.05443	0.9
177.09084	4.0
179.07086	2.4
181.08546	1.2
181.10060	0.5
181.15910	0.6
183.06503	4.0
185.09622	2.5
187.07578	2.0
187.11246	0.9
189.09167	2.6
191.07063	0.9
191.10706	2.4
193.08589	9.9
193.15866	2.9
197.09485	0.5
199.11226	1.0
201.09077	7.3
202.09750	1.4
203.10652	6.2
205.08543	0.4
205.12202	2.1
207.10156	4.2
213.09102	1.1
213.12668	0.9
215.10738	2.4
217.08684	0.6
217.12241	5.0
219.10248	1.0
227.10629	1.7
229.12224	0.8
231.13835	0.9
233.11722	6.8
241.12218	1.8
245.11691	1.8
246.12341	0.6
247.13376	0.8
255.13832	0.5
277.14539	0.4
279.17542	0.8
284.29514	2.7
285.29745	3.4
297.18558	1.7
298.31052	7.0
299.31393	8.3
311.19897	1.6
315.19641	2.1
328.32144	0.5
329.21027	2.4
329.24753	2.7
329.32495	0.7
332.53833	0.5
346.33139	26.0
347.22040	7.1
347.25949	4.6
347.33466	31.2
348.33789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01873	8.6
55.05293	0.4
55.05516	4.4
57.03440	2.4
57.07077	3.0
58.21966	0.4
65.76292	0.4
67.05159	0.6
67.05503	7.8
68.99797	1.1
69.07073	3.5
69.62054	1.5
71.04988	1.0
79.05499	3.0
81.07059	7.5
83.04989	3.0
83.08633	1.8
85.06561	2.9
88.07627	0.8
91.05467	0.9
93.07045	2.2
95.04972	1.6
95.08616	7.2
97.06532	4.7
97.10175	0.7
99.08099	0.8
104.99320	0.5
105.07012	0.7
107.04959	0.7
107.08602	1.7
109.06499	1.0
109.10147	2.1
111.04443	2.1
113.09634	1.8
121.06542	0.8
121.10120	0.6
123.04430	100.0
124.04760	2.7
125.06050	0.7
125.09586	0.4
133.06476	0.4
135.08058	0.5
135.11728	0.6
137.05980	25.7
138.06354	1.1
139.03911	0.9
147.04402	1.4
147.08109	0.6
149.05981	30.3
150.06320	1.1
151.07561	1.6
154.83159	0.5
161.05965	5.6
163.07544	13.6
164.07921	0.9
175.07550	8.5
177.09131	1.7
189.09108	2.7
191.10629	1.1
193.51024	0.4
199.11137	0.4
203.10692	0.7
207.13829	2.7
217.12236	12.3
235.13295	28.0
236.13654	1.5
245.15372	0.4
263.16422	2.6
277.17947	0.8
287.19949	0.6
305.21103	87.4
306.21445	8.3
346.33075	0.8
347.22067	3.5
347.25833	6.9
347.33472	1.0
348.26120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2585
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
55.05509	1.2
57.07073	3.2
58.06611	1.3
67.05504	3.6
69.07072	2.5
69.46759	1.2
69.74967	4.5
73.76955	1.2
79.05482	1.8
81.07065	6.3
83.08628	2.3
88.07632	6.7
89.07939	1.7
91.05521	2.3
94.14969	1.1
95.08597	6.3
101.39085	1.3
104.99304	2.1
105.06950	1.2
105.76115	1.2
109.06514	2.3
109.10172	3.2
123.04475	1.6
125.05987	2.0
137.05983	100.0
138.06319	2.8
147.46069	1.3
151.07553	1.7
163.07590	2.7
163.72731	1.2
177.09126	3.0
224.65651	1.8
285.30209	1.4
299.31381	4.1
305.21118	1.9
329.24823	2.4
347.21902	17.1
347.25876	24.3
347.33429	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	347.2581
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
52.21370	0.9
53.47466	1.1
55.01870	2.6
55.05499	3.7
57.03450	5.0
57.07076	24.4
58.07364	0.9
61.06009	0.9
67.05498	8.2
69.07076	6.0
71.04993	5.5
78.41515	0.9
79.05479	3.3
81.07048	5.2
83.04958	1.4
85.06045	1.8
85.06543	21.8
88.07632	2.1
91.05484	1.8
93.07037	2.3
95.08605	14.3
95.32393	0.9
97.06578	1.0
97.10127	1.4
104.99278	2.7
109.06496	2.0
109.10103	1.5
111.04423	1.6
113.09650	14.4
117.07073	1.0
121.06481	1.3
123.04427	28.2
125.05990	2.2
137.05977	100.0
138.06293	2.6
139.03984	1.0
149.05960	8.8
151.07518	2.6
156.04327	1.1
161.05948	3.0
163.07568	10.0
175.07515	3.4
177.09114	5.9
189.08989	1.2
191.10703	1.8
217.12181	2.4
235.13242	7.6
263.16440	1.1
282.67722	1.1
287.19995	1.2
299.31259	1.3
305.21091	27.2
306.21393	3.1
329.24725	1.2
347.22208	2.1
347.25775	43.5
347.33383	5.1
348.26102	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	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77581	1.2
53.03936	1.7
55.01864	1.9
57.03424	4.2
57.94881	1.3
60.12773	1.1
61.02928	6.0
69.03424	15.9
70.51382	2.0
71.04998	2.5
73.02902	2.5
76.44869	1.3
81.03406	4.9
85.02901	81.7
85.13198	1.1
87.04476	1.8
91.03955	5.6
97.02888	19.5
99.04464	4.2
102.59463	1.1
104.71314	1.2
106.61588	1.2
109.02848	5.8
123.04427	100.0
124.04718	2.1
127.03911	17.5
134.12280	1.2
145.04948	31.4
151.03912	1.6
151.07523	27.7
158.97308	1.3
163.06003	4.7
169.04955	24.6
169.06284	2.2
169.08582	10.1
180.08717	7.4
186.07684	2.3
348.17081	6.1
349.14529	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	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50995	0.5
55.01863	1.3
57.03432	1.8
61.02932	3.3
65.77790	0.7
67.05495	0.9
69.03429	6.6
69.93295	0.6
69.93616	1.3
70.06599	0.9
70.91315	0.7
71.04970	0.8
73.02907	1.3
80.31976	0.6
81.03416	2.3
81.74933	0.6
85.02901	32.8
86.09685	0.9
87.04494	0.9
91.03928	1.3
93.03396	0.7
95.04964	2.4
97.02887	8.5
98.22775	0.9
98.98475	0.9
99.04457	2.1
101.00872	1.4
102.00965	0.9
109.02873	2.8
111.04430	0.8
112.96833	0.5
119.01905	1.2
120.02013	1.1
123.04426	100.0
124.04762	4.0
125.61248	0.6
127.03909	4.6
128.92892	0.6
136.06180	42.3
137.06531	1.0
139.03915	0.9
143.01891	4.8
144.02023	8.4
145.01677	2.1
145.04970	8.0
151.03900	25.3
151.07538	2.3
161.02971	5.6
162.03067	7.1
163.02740	2.3
163.06055	1.0
164.99519	1.2
169.04961	58.8
170.05284	1.5
175.11937	0.8
180.08672	3.4
186.07651	2.4
186.09470	0.6
203.04030	2.1
204.04233	3.5
205.03690	1.0
210.04776	1.8
226.28448	0.6
288.09949	0.9
348.07043	5.4
348.12595	2.0
348.19861	0.6
349.10919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30899	1.2
55.01874	1.5
57.03442	1.7
61.02931	2.6
61.78700	1.3
63.68270	1.1
65.03944	11.0
69.03442	4.5
70.69044	1.5
81.03419	1.9
85.02908	27.2
87.04492	1.4
93.03405	19.6
95.81026	1.2
97.02906	7.2
99.04465	1.4
109.02884	2.4
110.03667	3.9
111.04449	20.1
125.05991	27.2
126.06342	1.3
127.03947	5.4
136.06198	2.8
145.04947	7.7
151.03918	13.9
151.05074	1.7
151.07561	2.0
165.05493	4.7
169.04967	100.0
170.05302	1.6
180.08736	2.9
189.05431	1.2
193.04980	16.6
331.57269	1.3
348.13306	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	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53794	0.7
57.03409	1.0
61.02920	1.1
65.03938	9.2
65.85677	0.7
66.04263	0.8
69.03426	2.8
69.41138	2.9
71.05006	0.8
79.05485	1.1
81.03424	2.1
85.02905	13.2
93.03404	17.8
97.02882	4.1
99.04402	1.1
107.04948	1.3
109.02875	1.5
110.03656	4.4
110.82147	0.8
111.04440	17.8
118.71202	0.7
123.04434	1.7
125.05985	32.7
126.06293	1.0
127.03902	3.2
135.05582	0.8
139.89836	0.7
145.04935	2.9
151.03899	15.5
151.05049	1.4
151.07516	1.5
169.04958	100.0
170.05278	3.4
187.04083	0.9
349.09003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.05511	5.0
57.03440	1.5
60.67300	1.1
61.02925	8.2
67.05516	1.4
67.66209	1.2
69.03423	4.6
69.07056	2.2
70.06595	1.5
70.87113	1.5
71.04989	3.3
72.08146	1.5
72.66077	1.3
79.05486	2.0
79.35578	1.1
81.03419	3.7
81.07064	6.2
83.04993	7.9
83.08615	20.0
85.02900	14.1
85.06561	1.7
87.04489	3.6
93.07050	3.5
95.04976	1.7
97.02898	5.5
105.05507	7.3
105.07053	2.3
107.08587	2.9
109.02844	4.6
109.10169	6.1
110.03679	2.7
113.05989	7.4
118.60025	1.3
123.11731	2.7
127.03928	3.3
127.11185	3.8
131.07014	2.2
133.10112	3.9
135.33148	1.4
136.06203	3.9
137.02332	96.6
138.02660	2.1
145.04987	3.2
151.11197	2.9
169.04958	100.0
169.12173	2.9
170.05299	4.1
348.08389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.9
65.03940	1.2
66.60130	0.6
67.05537	0.6
69.03430	1.6
70.41716	0.9
70.64379	0.5
71.76326	0.5
74.79897	0.5
81.03422	1.4
85.02908	9.9
91.03949	0.9
93.03413	1.6
95.04981	0.7
97.02920	2.8
100.44592	0.5
107.04980	0.7
109.02904	0.6
110.03660	1.0
111.04456	1.9
114.16082	0.5
123.04431	100.0
124.04788	3.5
124.35384	0.6
124.65633	0.6
125.05996	4.9
127.03923	1.5
136.06175	1.6
145.04955	2.7
151.03926	3.0
151.07535	2.4
169.04961	83.4
169.08553	1.4
170.05301	3.5
180.08670	1.9
185.04503	1.0
193.04948	0.9
196.67992	0.6
309.09753	0.6
348.13507	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	348.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79906	1.7
52.72289	1.7
53.02931	1.9
53.03944	1.8
55.05517	4.0
56.05007	2.0
67.05504	4.0
69.03434	13.1
69.23973	7.2
73.54270	1.9
75.52878	1.8
76.24843	2.0
79.05494	7.4
81.07069	4.1
83.04980	34.1
85.58191	1.6
91.05485	13.5
93.07040	14.3
95.04980	3.0
97.02900	4.1
105.07023	10.6
107.04942	2.8
107.08592	29.6
109.02885	14.1
109.06525	6.7
111.04404	2.6
117.07037	5.0
119.08604	10.9
121.06515	15.6
121.10214	3.5
123.08073	3.3
128.06230	2.2
129.07033	3.9
131.08586	14.9
133.10143	6.3
135.08047	45.4
137.05963	2.2
142.07767	1.9
143.08569	7.7
144.09384	5.7
145.06541	5.1
145.10110	9.6
147.08070	4.1
147.42253	1.8
148.07602	3.2
149.09618	11.4
155.08556	4.4
157.10136	1.9
158.10953	8.4
159.08052	13.1
159.11690	27.4
159.12921	2.6
160.08824	3.9
161.09612	5.0
163.07533	51.7
164.07852	2.2
168.09354	2.1
171.08029	5.1
172.08839	14.3
173.09576	16.7
173.13269	30.3
174.13530	2.4
180.06561	6.3
183.11723	7.8
186.10402	24.5
187.07547	2.9
187.11186	64.4
188.11665	4.8
189.09108	3.3
194.08174	7.5
195.08112	1.9
196.08849	5.8
199.07622	2.0
201.12735	58.3
202.13005	2.6
205.12260	3.4
211.11166	11.2
214.09779	2.9
219.13867	6.6
228.10257	2.4
229.12228	92.5
230.12584	5.4
244.37231	1.8
247.13289	38.4
248.13655	2.7
272.16467	3.5
284.16373	6.7
302.17557	2.7
330.16986	100.0
331.17331	9.0
348.18314	2.7
352.93481	1.7
370.60001	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	348.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
51.26342	1.5
52.13791	1.7
53.03944	2.7
55.01875	2.4
55.05505	6.1
57.03428	2.6
59.04979	1.8
61.02911	2.3
61.72242	1.6
64.53935	1.4
65.03938	2.1
67.05503	5.9
69.03435	7.1
69.15739	8.7
71.04990	6.9
73.02910	2.2
79.05491	7.8
81.03413	2.3
81.07056	32.0
83.04971	15.0
85.02908	28.3
91.03945	2.4
91.05476	34.3
93.07047	100.0
94.07378	2.6
95.04954	6.5
95.08617	3.7
97.02890	6.3
99.04488	2.0
105.04558	1.8
105.07031	56.1
105.07738	3.2
107.08602	8.1
109.02902	3.0
109.10178	3.1
117.06982	1.7
119.08575	2.3
123.11729	10.4
127.03936	5.4
131.08543	4.7
133.10130	91.9
134.10477	3.1
141.07013	1.7
145.04964	8.2
151.11148	12.8
168.08125	3.9
209.54402	1.6
253.52702	2.1
348.17120	41.7
348.22498	16.7
348.26599	2.5
349.17294	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	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
64.20348	0.6
67.05501	4.2
69.03423	0.8
69.09129	3.0
77.72763	0.5
79.05486	1.5
81.07058	5.5
82.07390	0.8
85.02911	3.2
91.05466	1.0
93.07042	1.2
95.04972	3.2
95.08608	1.9
97.02917	1.0
100.11213	0.5
105.07033	1.9
107.08602	7.5
109.06515	4.0
109.10157	100.0
110.10508	3.1
121.10138	2.3
121.60163	0.5
122.10485	2.9
123.08057	0.8
123.11706	6.5
124.12051	1.3
127.03904	0.8
133.10141	4.4
151.11182	67.5
152.11543	2.3
153.05486	0.5
166.76300	0.6
168.11024	0.6
169.12242	45.5
170.12570	1.9
197.85973	0.6
275.06061	0.6
276.72797	1.0
312.59048	0.5
331.17865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
58.28711	0.2
61.26471	0.2
66.41632	0.2
66.73986	0.2
67.05505	1.5
69.07061	0.6
69.51642	0.8
69.52013	0.4
74.47146	0.2
79.05492	0.9
81.07061	2.0
83.04971	0.4
91.05476	0.7
93.07048	1.1
94.04053	0.7
95.08598	0.4
95.41864	0.2
97.06537	0.3
105.07035	0.2
107.08611	0.6
117.07050	0.3
119.03539	2.2
131.08548	0.4
135.11592	0.3
136.06187	100.0
137.04735	1.2
137.06667	1.8
139.41762	0.2
149.13303	0.5
159.11678	0.3
163.07463	0.4
173.35501	0.3
174.07797	0.3
187.11177	0.3
201.12697	0.4
202.08846	0.2
229.12283	0.4
247.13412	0.3
286.16635	0.8
304.17639	0.3
330.19339	6.6
331.19568	0.5
348.20300	46.2
349.20630	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	348.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53159	0.2
55.05502	0.4
55.86485	0.2
57.03430	0.3
67.05486	1.0
69.07066	0.6
69.40739	0.7
71.04998	0.2
79.05502	0.5
81.07058	1.9
87.20539	0.2
91.05486	0.5
93.07056	1.3
94.04041	0.8
94.59576	0.2
95.08608	0.5
97.06518	0.2
98.22743	0.3
105.07043	0.4
107.08604	0.5
109.10201	0.2
117.06934	0.2
119.03551	1.8
128.27753	0.2
130.81810	0.2
131.08620	0.2
136.06186	100.0
137.04631	1.4
137.06606	1.9
149.13245	0.3
163.21733	0.2
166.80817	0.2
173.16286	0.2
174.07709	0.3
233.71892	0.2
286.16849	0.9
286.19687	0.2
304.17764	0.3
330.19250	6.3
331.12881	0.2
331.19568	0.5
348.20294	51.0
349.20624	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	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01891	2.9
55.05511	23.8
57.03429	6.7
57.07079	3.6
58.69575	2.0
59.04989	3.2
63.82511	2.2
67.05502	82.8
69.07062	17.0
70.53289	3.5
71.04984	4.8
71.08627	13.3
79.05490	22.7
81.03426	3.4
81.07053	62.6
83.04989	6.3
83.08612	25.7
85.06544	4.6
88.64994	2.4
91.05460	15.2
93.07040	35.8
95.04981	2.7
95.08604	24.0
97.06525	8.9
97.10175	17.4
99.08084	9.7
105.07041	9.5
107.08596	20.9
108.07452	2.0
109.06526	3.3
109.10155	55.8
111.08083	9.0
113.09657	3.1
117.06982	4.1
119.08592	7.2
121.06419	2.6
121.10162	12.8
123.08062	2.7
123.11694	4.8
125.09638	14.5
131.08574	6.0
133.10103	12.0
135.11710	10.0
137.09608	6.7
139.11261	2.4
139.21964	2.0
147.11694	5.1
149.13248	22.3
151.11151	10.2
155.10649	22.3
156.18719	2.5
159.11661	11.5
161.13258	7.1
163.11115	3.4
165.12654	3.8
171.10172	2.4
173.11734	100.0
173.13246	4.8
174.12131	3.4
177.12773	7.6
179.14276	6.5
189.11238	21.8
190.14522	2.5
195.13802	66.6
196.14166	2.9
213.14809	34.2
233.80305	2.0
241.19534	3.9
259.20599	6.4
263.75354	2.6
264.04922	2.6
277.21603	40.7
278.22147	4.4
295.22641	25.7
374.27383	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	349.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
61.02920	0.7
67.05495	1.0
69.03442	2.3
69.07052	1.2
69.62277	1.7
71.04987	2.9
79.05496	1.4
81.03422	0.8
81.07063	6.4
83.04992	0.8
84.04522	0.5
84.08098	0.4
85.02908	8.5
86.03212	0.8
88.41182	0.4
91.05479	0.7
93.07048	0.8
95.08605	0.6
97.02898	1.8
97.06541	0.7
98.23421	0.9
99.07278	0.5
107.08610	2.1
109.02907	0.6
109.10166	1.8
123.11699	3.8
127.03949	1.5
133.10103	0.6
139.11198	1.0
145.04919	0.8
151.07536	3.4
151.11163	3.4
152.07870	3.7
153.01826	0.5
153.09161	0.6
157.12234	1.6
167.03401	1.7
169.08536	0.8
169.12239	8.2
181.05002	1.3
185.04271	0.8
187.03621	2.2
187.13234	3.4
201.05440	0.5
202.08948	0.7
203.07268	0.5
229.05048	0.8
257.04279	0.7
274.55127	0.5
285.04028	2.0
303.05026	0.9
303.13443	0.5
331.04477	1.6
349.08939	100.0
349.12473	3.5
349.18228	4.3
350.09219	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
53.03934	0.5
53.07501	0.4
57.03424	0.9
61.02917	1.0
67.05502	1.0
69.03434	2.0
69.07079	1.1
69.63382	1.4
69.63712	0.4
71.04998	3.2
71.64346	0.4
79.05496	1.5
81.03421	1.1
81.07059	7.9
84.04504	1.2
85.02914	9.5
91.05480	0.6
93.07050	1.2
95.08597	0.9
97.02879	2.1
97.06522	0.7
99.08105	1.0
107.08597	1.9
109.02876	1.1
109.06525	0.7
109.10147	1.7
122.06062	0.7
123.11713	4.7
127.03905	1.9
139.03770	0.6
139.11179	1.4
145.04987	1.2
146.05983	0.5
151.07489	1.6
151.11188	4.7
152.07869	2.4
153.01910	0.5
157.12283	1.5
161.17691	0.4
167.03419	1.9
169.12242	9.9
171.10126	0.5
177.05458	0.5
181.04948	1.2
185.04213	1.7
186.68456	0.5
187.03627	2.5
187.13335	3.6
190.04988	0.7
202.09023	1.2
229.04996	0.7
257.04291	0.8
285.03873	2.9
303.05170	0.7
331.04544	1.5
344.35559	0.4
349.08951	100.0
349.17706	6.3
350.09262	6.8
367.08627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82870	1.4
52.63632	1.2
53.03951	2.2
53.07063	1.3
55.01867	4.4
55.05516	6.7
56.05041	4.3
57.03447	10.4
58.99585	8.6
62.25412	1.4
65.03928	2.1
67.05501	8.6
68.05033	4.0
68.99773	1.4
69.03429	4.4
69.07066	9.1
70.70780	1.4
71.04997	6.2
71.10798	1.5
76.02227	9.0
79.05492	19.7
80.05011	2.7
81.03450	3.4
81.07059	86.0
83.04996	3.7
83.08625	2.4
84.04505	54.1
85.01146	2.5
85.02907	17.6
85.06554	1.7
85.54665	1.4
86.00670	6.1
86.99067	11.3
87.02697	35.6
91.05480	3.4
93.07051	4.1
94.06575	20.6
95.04948	8.1
95.08584	1.8
97.02884	4.4
97.06541	2.9
98.09724	2.9
98.97581	9.8
99.04453	3.7
99.08070	9.3
102.05511	2.6
105.00082	8.7
105.07026	1.6
106.27350	1.6
107.04960	3.0
107.08587	8.2
107.95316	1.8
109.02877	1.7
109.06540	2.2
109.07628	3.4
109.10152	4.4
110.06065	3.9
111.04504	2.5
111.08078	2.4
112.07626	4.9
113.04235	3.4
114.84473	1.9
116.04981	1.9
116.98624	3.8
117.07005	2.3
118.06506	2.1
120.08199	1.6
122.02733	49.2
122.06033	55.8
123.04412	1.9
123.06326	1.5
123.11704	5.6
127.03934	3.9
130.05011	7.7
132.01134	13.8
133.10158	2.6
135.08067	6.1
135.11700	3.3
136.07616	5.2
139.11304	1.8
140.07066	63.2
141.07497	1.7
142.03267	3.2
142.08646	2.5
144.04465	7.9
145.04927	2.6
146.06010	66.5
146.07184	3.4
147.06380	3.5
148.03992	2.7
148.07562	17.4
151.11212	5.7
153.05470	2.9
153.09128	13.7
154.08624	1.7
156.08446	3.9
158.99713	4.1
159.04762	13.6
162.05504	6.1
164.07077	15.4
167.03421	2.6
169.12213	12.5
171.10159	20.0
172.03932	24.8
174.05487	3.6
174.09460	3.6
177.00725	5.0
178.08682	1.5
181.04967	3.2
185.04330	2.0
187.13344	4.7
188.03725	2.2
190.04996	100.0
191.05408	4.0
192.06589	17.2
201.05507	3.7
202.08975	73.4
203.07404	18.1
203.09177	3.2
208.06004	15.0
219.01770	3.1
220.10040	17.8
234.04349	2.6
244.09671	3.4
251.06894	2.0
257.04440	2.9
260.21021	1.7
261.21606	2.3
286.10904	5.6
287.13892	4.5
289.11884	6.2
303.04990	5.1
305.14746	1.6
305.24142	3.3
307.13065	1.7
313.11813	6.5
331.04617	3.5
331.12961	29.6
332.12152	1.6
349.05396	4.6
349.09125	5.5
349.14139	17.9
349.17984	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	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.0
53.40993	3.7
55.05494	17.0
56.96553	13.2
57.03424	15.6
57.66269	4.1
61.93263	4.1
67.05500	48.3
67.47822	4.4
69.07054	20.9
70.61169	8.6
71.04991	5.8
79.05486	61.7
81.07055	100.0
83.08594	6.6
85.06548	5.9
85.31010	3.7
91.05470	42.8
93.07037	35.4
95.04965	13.0
95.08608	38.9
96.70405	4.0
97.06527	9.9
105.07008	38.3
107.04911	7.4
107.08595	21.6
108.56342	4.1
109.06526	32.4
109.10152	14.0
110.97515	4.4
114.22941	4.4
117.07014	21.9
119.08575	36.8
121.10143	16.4
123.08066	6.6
123.11675	6.2
125.51425	4.7
129.07097	6.2
130.01030	4.0
131.08560	27.4
133.10109	29.9
135.08089	5.3
135.11696	10.6
137.09555	4.6
145.10152	22.1
147.11690	19.4
149.09633	8.5
149.13258	6.7
157.10068	9.2
159.11707	25.2
161.09505	4.4
161.13292	5.7
163.11168	8.9
169.10025	5.3
173.13240	7.9
187.14903	3.9
193.61418	4.3
229.19537	5.4
235.12901	9.7
243.09048	8.3
247.20506	7.6
255.09189	4.2
257.18973	15.2
261.10181	4.5
275.20074	63.7
293.21317	5.1
331.15820	26.5
332.16055	5.9
349.17188	51.3
349.19873	45.2
349.23743	60.6
350.17731	5.8
367.17966	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	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.7
56.96564	31.0
57.58173	6.1
58.57905	6.4
67.05505	15.4
69.07071	15.9
70.85255	6.0
74.89307	6.1
79.05479	39.8
81.07057	37.5
83.04993	9.9
83.08617	9.0
90.25407	6.5
91.05483	23.4
93.07042	21.4
93.86623	5.8
95.08607	18.2
102.20826	6.0
105.07021	23.7
107.04966	11.8
107.08593	16.2
109.10162	7.7
117.07035	8.7
119.08589	17.2
121.10150	13.0
123.08102	7.2
125.09578	7.6
131.08527	8.4
133.10146	16.0
145.10100	9.9
145.94452	6.6
147.11638	9.6
149.09697	6.9
150.18257	6.0
155.03752	6.3
159.11674	7.3
195.06947	6.4
198.51357	5.6
199.06546	12.1
209.03540	6.2
213.07988	22.6
217.07402	7.9
229.07491	42.6
229.24339	6.6
231.09044	19.5
243.09061	26.4
247.08565	18.2
252.09229	7.0
275.20007	24.8
307.43680	8.0
331.15613	7.0
349.17346	100.0
349.23889	19.5
350.17841	16.4
367.18011	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.9
55.05516	17.9
56.96564	24.6
57.03440	19.1
57.07094	3.4
62.51044	2.5
64.73122	2.4
67.05510	31.6
69.07068	21.6
69.47454	10.7
71.04988	3.6
79.05493	26.6
81.03443	3.0
81.07052	40.5
83.04989	9.7
83.08635	3.8
91.05482	22.9
93.07037	33.2
95.04973	7.8
95.08605	23.5
97.06535	6.2
105.07014	28.5
107.04935	11.0
107.08575	22.1
109.06525	16.8
109.10179	8.3
110.97562	3.3
111.08110	2.5
117.07030	9.5
119.08559	16.7
121.06490	12.0
121.10141	13.7
123.08083	7.7
129.07028	7.2
131.08575	22.1
133.06474	3.4
133.10104	16.8
135.08076	6.5
135.11702	8.6
137.09644	4.4
143.08580	3.9
145.10081	14.8
147.08081	3.5
147.11649	13.2
149.09637	8.7
149.13225	4.3
151.11180	5.4
157.10109	2.3
159.08064	4.0
159.11711	9.9
161.09610	4.9
161.13272	5.6
163.11165	7.0
171.11751	3.6
173.04829	3.1
173.09595	5.7
173.13275	7.2
177.12746	5.1
181.05342	2.9
183.11693	3.0
185.04967	2.4
187.11235	2.7
195.07138	2.6
199.06461	8.7
201.07965	3.3
207.13838	4.9
211.06413	4.7
213.07948	17.6
215.17906	3.1
217.07437	4.9
219.13826	4.2
225.07921	3.7
229.07471	29.8
231.09094	14.2
239.17966	4.4
243.09094	8.4
247.08524	14.1
247.20547	7.0
252.09138	4.2
257.19003	15.7
261.10126	5.0
275.20065	100.0
276.20422	7.3
293.21173	13.1
331.15808	4.5
349.16943	37.4
349.23578	40.9
350.24078	4.9
367.17963	6.8
372.18292	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.7
56.96557	38.9
57.03429	14.4
67.05499	43.9
69.07066	32.8
69.11728	94.1
75.12518	13.6
79.05495	54.6
79.20049	11.8
81.07049	47.9
91.05457	37.7
92.08392	13.6
93.07047	60.5
95.04984	16.0
95.08595	33.3
97.42800	13.4
98.22736	33.7
105.07026	39.3
107.04964	16.4
107.08597	34.2
119.08570	31.6
131.08531	29.0
133.10208	13.9
135.82813	13.8
145.10135	22.2
145.27397	17.0
147.11705	13.8
157.10236	15.4
159.11708	19.5
195.70410	15.3
226.06775	12.8
232.22095	13.1
255.09146	13.4
257.19095	14.3
267.08963	31.4
269.10574	25.0
275.20108	65.6
285.10059	44.4
327.24216	13.6
349.13940	15.0
349.17206	100.0
349.23907	50.2
367.18073	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	349.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.3
57.03429	2.1
59.05002	3.0
61.02930	24.4
62.05062	1.9
67.05486	5.9
69.03422	8.6
69.07066	5.8
70.04807	5.7
71.04987	5.3
79.05499	5.0
81.03442	3.9
81.07035	12.9
83.04982	29.3
83.08618	100.0
84.08917	2.6
85.02908	13.2
87.04463	13.8
91.05477	5.0
93.07035	5.7
95.04958	6.1
95.08590	3.7
97.02909	4.3
97.06506	2.3
98.22678	2.5
100.11287	4.9
105.05510	33.7
105.07034	6.2
107.08577	6.4
109.06500	3.0
109.10155	26.5
113.06005	42.2
113.06755	4.1
121.10159	2.8
123.08068	3.0
123.11709	11.9
124.07557	3.1
127.03935	2.9
127.11196	21.7
131.07060	5.2
133.10126	6.1
136.06236	2.2
137.02330	8.2
138.02707	8.1
141.32762	2.2
144.06378	2.1
145.04999	2.7
151.11176	12.6
164.10718	2.5
169.04951	7.0
169.12228	7.6
170.05305	7.8
181.05070	2.0
187.13188	3.5
201.37206	1.9
231.13797	2.9
331.12585	2.4
347.13309	2.5
349.05457	5.0
349.14001	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1859
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.03946	3.4
55.05510	26.6
57.03416	4.1
57.07065	6.3
59.05004	18.9
61.02633	5.1
61.02929	61.4
62.68666	3.0
67.05497	15.4
69.03430	27.6
69.07069	20.9
69.59670	5.2
69.60052	5.9
71.04993	23.2
79.05487	6.5
81.03375	3.2
81.07060	67.2
83.04981	24.3
83.08620	88.2
85.02898	32.3
85.06544	27.6
87.04469	42.6
91.05484	7.4
91.34544	3.3
93.07051	22.1
94.30313	2.9
95.04967	10.3
95.08619	17.3
97.02881	7.7
97.06532	3.8
98.22710	4.6
105.05505	95.0
105.07015	8.2
107.08609	20.1
109.06505	4.5
109.10172	28.4
111.08105	4.4
113.06001	62.1
120.08092	3.8
121.10178	14.6
123.08058	5.4
123.11709	100.0
124.11944	3.7
125.09592	4.0
126.42235	2.8
127.03905	10.6
127.11155	3.5
131.07037	38.9
133.10129	19.1
135.11700	3.4
139.11217	5.9
145.04941	6.7
151.11191	60.5
152.11473	3.2
164.07034	3.6
169.12242	27.1
187.13246	3.8
305.21829	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
57.03422	0.5
62.03761	0.4
67.05491	1.7
69.07069	1.0
70.52530	0.9
79.05473	1.2
81.07067	2.7
88.07604	0.5
91.05486	1.7
93.07046	2.0
95.08598	0.8
98.22807	0.6
105.07020	1.8
107.08577	1.2
109.10130	0.8
117.07041	0.6
119.08583	1.4
121.10125	0.5
129.84433	0.4
131.08537	1.3
133.10141	1.5
135.11682	1.0
137.05769	1.4
145.10104	0.5
147.11671	1.0
149.09613	0.5
155.01021	0.5
159.11743	1.1
163.11255	0.4
173.13229	0.6
213.74437	0.4
215.97485	0.4
221.11528	0.4
228.41740	0.4
229.19461	0.4
235.12999	0.5
242.24791	0.4
257.19254	0.5
275.20023	1.3
337.38470	0.4
349.19843	100.0
349.23453	4.2
350.20154	6.8
350.23886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
54.08162	0.3
54.87519	0.3
55.05509	0.5
67.05491	0.8
67.30543	0.3
69.07053	0.7
70.70663	0.3
79.05492	0.8
79.64816	0.3
81.07047	1.1
81.23582	0.3
83.35248	0.3
84.36967	0.3
86.47148	0.3
91.05475	1.2
93.07043	0.8
95.08602	0.7
97.06522	0.4
105.07036	1.1
107.08579	0.8
109.10132	0.4
117.06999	0.4
119.08598	0.5
126.10612	0.4
131.08542	0.4
133.10114	0.9
137.05746	1.2
145.10146	0.7
159.11693	0.5
192.70087	0.3
221.11478	0.5
257.18860	0.6
261.14597	0.7
275.20157	0.7
311.72745	0.3
331.18707	0.7
349.19821	100.0
350.20169	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	349.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.9
55.05492	5.3
56.30762	4.2
56.54770	5.6
57.03444	10.5
57.07085	16.2
64.96423	4.7
65.03970	5.3
67.05507	29.8
69.07075	11.3
70.56356	10.6
71.04996	7.7
71.08643	6.4
79.05501	22.8
80.94861	10.0
81.07063	32.6
85.06535	8.7
91.05492	9.7
93.07049	15.4
95.04939	13.0
95.08629	14.7
97.06543	9.2
104.99321	6.3
105.07028	14.4
107.04976	4.7
107.08592	11.1
109.06501	5.1
109.10142	5.4
111.04439	5.4
119.08572	17.0
121.06534	6.5
123.04436	32.4
126.03168	13.8
126.25212	5.1
131.04938	4.8
133.10152	6.9
135.08093	7.6
135.11678	7.5
139.03891	54.6
141.05490	34.1
142.29980	4.7
145.10139	6.6
147.08073	34.2
148.74640	4.8
149.02332	9.5
151.07556	6.5
153.05476	23.8
155.08569	6.5
159.04404	5.2
161.06035	5.7
163.03893	28.9
163.07523	5.5
163.11070	5.7
166.02554	5.5
167.03430	24.7
167.07028	11.4
169.04964	100.0
169.06276	9.5
173.09622	5.5
177.05518	18.6
179.07069	11.5
183.08015	5.5
191.07002	5.5
191.10654	7.0
193.05157	6.8
195.06630	5.9
201.09113	12.7
203.10678	21.7
205.12215	6.5
210.55698	5.2
215.10765	5.6
219.10204	40.8
223.13293	22.4
229.08540	7.9
233.11723	12.0
235.13341	7.1
247.09584	34.8
251.12836	7.0
261.11316	24.6
279.12289	65.1
317.17441	10.4
321.20645	5.8
348.33868	12.2
349.19946	76.6
349.23447	10.1
349.34241	6.0
350.20190	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	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72264	0.5
55.05498	0.9
57.07073	1.7
67.05499	1.0
69.07064	0.9
69.83603	0.5
70.24229	0.5
71.08615	0.6
76.12696	0.6
79.05512	1.0
81.07059	1.6
88.11284	4.0
89.05994	0.6
89.11589	1.5
91.05489	0.8
93.07026	0.5
95.04990	0.9
95.08642	1.2
105.07055	0.5
107.04961	2.3
108.05273	1.3
111.08035	0.7
119.08566	0.7
131.08604	0.6
133.10129	0.6
137.05980	1.2
139.07494	1.2
141.06404	0.6
152.04639	1.0
153.05470	0.8
167.07037	4.0
195.09926	1.3
235.13007	0.7
236.16489	1.9
237.16841	4.3
292.22699	1.5
293.23047	5.9
322.06247	0.6
349.23489	100.0
350.23810	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95549	1.8
51.02359	2.2
53.03952	15.8
53.08718	1.7
53.08978	1.8
54.79512	1.7
55.01878	17.0
55.05510	24.3
57.03437	18.7
61.41930	1.7
65.03923	1.8
65.78884	1.5
67.05507	71.9
69.03404	2.4
69.07070	60.8
69.29691	9.1
71.04967	4.4
77.03913	2.5
78.98529	1.8
79.05495	53.7
81.03414	32.4
81.07057	85.2
82.07363	2.1
83.04984	15.8
83.08617	13.2
85.06531	5.1
87.04491	1.8
91.05480	74.3
92.05815	2.0
93.07043	65.2
94.07374	2.8
95.00818	2.2
95.01336	26.9
95.04969	25.1
95.08604	62.8
97.06535	27.0
97.10151	5.1
105.04479	2.4
105.07027	100.0
106.07304	2.4
107.04957	44.7
107.08588	27.1
109.03642	2.1
109.06491	8.2
109.10180	13.2
111.08076	2.9
113.09647	2.5
115.05408	2.7
117.07020	25.2
119.08584	50.5
121.06461	7.1
121.10149	12.8
123.04424	4.6
123.08089	9.7
125.09610	1.8
129.06970	5.2
131.07666	2.5
131.08569	33.3
133.06445	2.5
133.10123	60.5
135.08003	7.8
135.11694	13.6
137.09573	3.1
139.07585	2.2
141.06946	7.3
143.08522	5.8
145.06502	8.7
145.10115	24.8
147.11702	22.8
148.12093	2.1
149.09627	12.1
149.13182	8.6
150.13577	1.9
151.11160	4.9
157.10069	5.5
159.07918	2.6
159.11700	24.7
161.09633	2.6
161.13264	8.6
163.11154	9.4
165.09073	4.2
169.10098	5.7
171.11620	6.5
173.13177	5.8
175.11176	2.1
175.14821	2.1
177.12756	13.2
179.12825	2.9
179.14304	34.6
183.11652	3.4
187.11200	10.7
187.14781	2.5
195.13757	3.9
197.13229	6.0
205.12227	3.5
219.13853	2.5
229.19420	2.2
229.29285	1.9
239.17821	2.7
241.14227	2.8
247.20631	3.8
251.12523	3.5
257.18900	8.4
275.20050	82.0
276.20288	7.7
293.20941	3.0
349.19568	18.2
349.23605	65.8
350.19919	3.1
350.23856	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	349.2374
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
51.44451	1.7
51.99479	1.8
53.03947	17.5
53.18813	1.7
55.01871	20.4
55.05517	29.8
57.03432	22.5
65.03926	3.6
67.05505	81.4
68.17586	2.1
69.07069	73.5
69.81535	6.2
69.81903	3.7
71.04979	5.8
77.03894	2.0
79.05495	64.4
80.05845	2.8
81.03416	40.2
81.07056	100.0
83.04990	15.4
83.08624	16.6
85.06537	3.6
91.05481	82.2
93.07043	64.1
95.01334	27.3
95.04974	25.4
95.08604	63.9
96.08944	3.2
97.06511	25.0
97.10184	6.3
99.08102	2.4
105.04525	5.2
105.07027	95.2
106.07335	5.5
107.04955	48.9
107.08591	35.3
108.05256	2.5
109.06530	11.5
109.10170	16.3
111.04390	2.5
111.08103	4.8
115.05420	2.6
117.07008	31.2
119.08576	57.9
121.06514	9.8
121.10139	13.6
123.04423	5.6
123.08053	15.8
123.11666	2.4
125.09618	4.5
126.24382	2.0
129.07021	6.7
131.04922	2.0
131.08565	38.1
131.09468	3.2
133.06491	3.6
133.10121	61.7
134.10457	2.5
135.08080	8.0
135.11659	15.6
137.05948	3.9
137.09604	7.1
139.07536	4.6
141.06967	4.5
143.08540	5.0
145.06477	8.2
145.10123	27.6
147.08086	4.0
147.11685	25.1
149.09613	10.8
149.13289	10.0
151.11220	4.4
155.08580	2.8
157.10152	3.3
157.37961	2.0
159.11690	27.1
161.13257	8.5
163.11186	9.4
165.09134	3.2
167.07065	6.5
169.10115	5.9
171.11880	6.5
173.13261	6.7
175.11142	2.6
175.14822	2.4
177.12721	11.7
179.14307	35.0
183.11668	6.6
187.11200	12.7
193.12277	2.2
195.13788	3.8
197.13249	2.9
201.12724	1.9
205.12247	4.0
219.14017	2.1
239.18130	2.5
239.74251	2.3
241.14400	4.0
247.20604	5.5
257.19031	12.8
266.97638	2.1
275.20050	83.5
276.20447	8.4
293.21243	3.1
317.98264	2.3
349.19846	2.9
349.23721	70.1
349.33923	2.5
350.24109	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	349.237
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
53.03952	0.3
55.01869	0.4
55.05514	2.7
57.03444	0.5
57.07082	0.9
65.03930	0.3
67.01860	0.2
67.05504	2.6
69.03433	0.3
69.07067	2.2
71.04990	0.4
71.08631	9.9
71.45931	0.2
77.03923	0.2
79.05495	4.3
81.03420	0.2
81.07057	9.3
82.07411	0.2
83.01352	0.5
83.04986	0.3
83.08620	2.3
85.06573	0.2
91.05484	2.1
93.07053	2.1
95.04977	1.0
95.08602	2.6
96.05760	1.1
96.08943	0.2
97.06529	0.6
97.10195	0.8
99.08093	10.8
100.08421	0.4
105.04550	0.3
105.07032	0.7
107.04956	1.7
107.08559	0.9
109.06524	1.7
109.10143	0.9
111.08085	2.4
115.05464	0.3
116.06289	0.2
117.06992	0.4
119.04995	0.3
119.06001	0.2
119.08593	0.5
121.06500	2.6
121.10136	1.2
123.04439	0.7
123.08109	0.3
123.11734	0.2
124.05210	6.1
125.06005	1.8
125.09650	0.2
127.11203	0.6
129.07030	0.6
131.08542	0.4
133.06456	0.4
133.10159	0.3
135.04422	0.4
135.08055	1.4
135.11688	0.7
137.05977	6.4
138.06290	0.2
139.07541	50.1
139.14787	0.2
140.04593	0.2
140.07835	1.8
141.12665	0.3
145.06497	0.6
145.10075	0.3
147.08049	0.7
151.07529	1.8
151.14854	0.2
152.04669	1.1
153.05467	3.5
155.07037	1.5
155.08440	0.3
157.06496	0.2
157.10115	0.3
158.07300	0.2
159.08060	0.9
161.05968	1.2
163.07561	1.2
165.05418	0.2
165.06679	0.3
165.09128	0.3
166.06282	0.3
167.07034	100.0
168.07368	3.5
171.08020	0.3
173.05963	0.3
173.09653	0.6
175.07491	1.5
175.11182	0.5
177.05498	0.4
177.09128	1.7
177.16391	1.2
178.17084	0.2
179.07007	0.7
181.08575	0.8
183.06561	0.8
183.07991	0.2
183.11748	0.2
185.09625	0.7
186.06749	0.3
187.07518	2.1
189.09103	0.5
191.07016	0.5
191.10645	2.1
192.07864	0.2
193.08598	5.2
194.08989	0.3
195.17468	3.9
196.83185	0.2
201.09105	5.2
202.09770	0.4
203.10693	1.6
205.08609	1.0
205.12271	1.3
207.10127	2.1
207.11887	0.2
211.11295	0.2
214.09772	0.2
215.10651	1.2
217.12242	1.8
219.10164	2.9
219.13644	0.2
229.12285	0.9
231.13789	0.3
233.11705	1.6
233.15428	0.2
235.13078	0.2
243.13762	0.3
247.13304	0.5
249.14822	0.2
281.19077	0.4
299.20029	1.5
300.20490	0.2
313.21658	2.0
317.21008	0.6
321.24133	0.6
331.22672	2.5
332.22946	0.3
349.23682	5.5
349.27249	0.2
350.23660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
50.58937	0.5
53.03938	1.2
53.25047	0.6
55.01875	1.0
55.05512	7.3
57.03428	1.8
57.07066	1.2
58.23482	0.6
65.03950	0.8
67.05499	6.3
68.74047	0.5
69.03413	1.3
69.07073	4.9
69.39435	0.7
69.39767	2.3
71.04981	1.3
71.08633	18.1
72.08949	0.7
77.03922	0.9
79.05494	7.2
81.07060	17.0
83.01342	5.3
83.04966	1.0
83.08620	4.1
85.06567	1.0
91.05482	6.2
93.06604	0.6
93.07054	6.5
95.04951	4.1
95.08594	5.4
96.05727	1.2
97.06522	2.5
97.10152	1.7
98.23508	0.8
99.08099	13.8
104.99256	0.7
105.07023	2.8
107.04960	2.3
107.08596	2.1
109.06506	3.5
109.10125	2.0
111.04477	0.7
111.08064	2.7
117.07014	1.6
119.08560	2.2
121.06508	13.2
121.10122	2.4
123.04427	2.2
123.08059	1.9
123.11690	0.9
124.05226	7.8
125.06017	5.2
127.11200	1.5
131.08568	1.7
133.10139	1.3
135.08069	1.5
137.05971	14.3
139.03906	1.0
139.07542	56.9
139.14784	0.7
140.07890	1.4
141.12741	1.4
145.06494	1.3
145.10110	1.2
147.08031	1.7
147.11650	1.9
149.06085	0.7
149.07222	0.6
149.09700	0.7
151.07523	2.4
152.04727	1.3
153.05475	7.6
155.07010	1.5
157.10153	1.3
159.08052	2.1
160.26537	0.7
161.05960	2.6
162.06709	1.1
163.07549	6.4
165.09209	0.9
167.07036	100.0
168.07330	4.0
173.09648	0.7
174.06702	0.8
175.07497	3.3
175.11125	1.1
177.05598	1.0
177.09117	2.5
177.16403	1.6
179.07022	1.4
181.08537	0.9
183.06506	0.7
185.09671	0.8
187.07521	7.5
189.09013	1.2
191.06987	1.0
191.10641	6.1
193.08600	6.3
195.17451	3.3
201.09109	3.8
201.12698	0.9
203.10648	7.1
205.08575	0.9
205.12199	0.7
207.10152	3.8
215.10690	1.8
217.12270	1.8
219.10184	3.8
219.13628	0.8
223.16913	1.4
229.12199	2.0
233.11690	1.9
271.20502	0.7
289.21609	0.9
299.20065	2.9
313.21643	0.9
317.21011	1.7
321.24228	35.2
322.24600	2.5
331.22736	4.2
349.23734	5.4
349.27866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.67162	0.7
55.05294	0.9
55.05514	9.6
57.03435	1.3
57.07063	2.7
59.05022	1.3
67.05505	15.4
68.05820	0.7
68.99789	2.0
69.07069	8.8
70.31274	2.1
71.04986	1.3
71.08631	48.4
72.08955	0.8
76.63518	0.6
79.05498	5.2
80.94858	1.1
81.07056	22.7
82.07381	1.0
83.08624	10.2
85.06549	1.8
91.05486	4.8
91.05971	0.8
93.07058	7.0
95.04979	1.1
95.08607	20.5
97.06541	1.6
97.10177	8.5
99.08095	37.8
100.08420	0.9
104.05181	0.8
104.99273	1.2
105.07050	2.4
107.04974	4.4
107.08588	4.0
109.10162	16.0
111.08072	3.0
111.11739	1.9
119.08607	4.5
121.06486	1.7
121.10158	2.3
123.04430	23.5
123.08055	1.2
123.11710	8.2
124.04746	0.8
125.05986	10.6
125.09654	1.4
127.11181	1.5
133.10150	4.7
135.11697	0.9
137.05945	1.7
137.09604	1.7
137.13278	2.1
147.11659	1.9
149.05981	19.6
149.13213	1.3
151.07556	1.8
151.11174	1.6
161.06015	3.8
163.07567	7.0
165.12791	0.9
165.16402	1.1
173.06035	2.2
175.07611	2.0
177.09053	1.1
179.17940	5.0
182.22314	0.7
187.07483	1.0
189.09134	1.5
189.16385	10.7
191.10698	0.7
197.18968	2.8
201.09158	3.3
207.17436	6.4
215.10695	2.0
217.12296	1.5
225.18533	4.1
229.12183	1.0
231.13795	0.7
234.58835	0.8
241.07687	0.7
243.19548	11.8
313.21582	1.5
331.22620	2.0
332.22592	1.0
348.33994	1.0
349.23727	100.0
350.23978	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	349.2373
Annotation	Vitex norditerpenoid 2
Peak:m/z	Relative Intensity
51.75105	0.2
55.05515	6.4
57.03433	0.5
57.07076	1.3
59.04998	0.7
67.05509	3.2
68.99802	0.4
69.07068	3.9
71.04986	0.7
71.08633	16.9
79.05488	0.8
81.07063	4.2
83.08620	4.4
85.06537	0.7
91.05505	0.3
93.07024	0.9
95.04981	0.7
95.08609	3.8
97.10175	2.0
98.22689	0.5
99.08096	10.5
100.08433	0.3
105.06992	0.4
107.04949	0.5
107.08588	0.9
109.10150	2.5
111.04453	3.1
111.11726	0.3
117.07043	0.3
119.08523	0.3
121.06504	0.4
123.04430	34.9
123.11695	1.3
124.04748	1.1
127.11178	0.7
133.10110	0.3
135.08069	0.4
137.06000	2.1
145.20895	0.2
147.04373	0.4
149.05975	7.0
152.29407	0.2
163.07555	10.5
164.07874	0.3
165.05450	0.3
166.54100	0.3
167.07036	0.3
171.72679	0.2
177.09082	1.8
201.70763	0.3
217.78134	0.3
237.14838	0.5
261.57507	0.2
262.92175	0.3
289.21570	0.5
307.22672	100.0
308.19458	0.5
308.23019	9.4
323.15561	0.3
349.23535	9.5
349.27460	2.2
350.23822	0.6
350.27713	0.4
366.33673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01866	4.1
55.05513	14.4
56.96572	1.4
57.03429	12.4
57.07069	2.3
57.76126	1.0
59.04996	1.0
59.82461	0.8
65.03949	2.0
67.05164	1.8
67.05506	28.5
69.03425	0.9
69.07070	15.6
69.07436	1.1
69.19180	1.9
69.19564	2.6
71.04993	2.4
77.03928	1.3
79.05496	21.1
81.07054	35.5
83.04977	7.3
83.08630	5.7
85.06538	1.4
91.05479	21.4
93.06446	1.7
93.07042	32.3
95.04970	7.8
95.08604	18.0
97.06533	5.0
97.10176	1.6
98.98482	2.5
103.05493	1.3
105.04560	1.1
105.07029	25.7
106.07374	1.3
107.04956	9.7
107.07932	1.5
107.08597	20.4
108.48186	0.9
109.06519	11.1
109.10159	7.0
111.08073	1.5
117.07024	8.8
119.08578	14.9
121.06498	9.1
121.10144	10.5
123.08052	5.5
123.11655	2.3
125.09662	1.4
129.07010	2.5
131.08568	15.7
133.06499	3.5
133.10121	18.1
135.08061	5.9
135.11690	8.1
137.09612	3.0
143.08585	4.5
145.06448	2.3
145.10124	14.3
147.08058	4.2
147.11708	9.8
149.09607	7.8
149.13284	4.4
151.11172	5.6
155.01036	3.2
155.08493	1.2
157.10109	3.6
159.08020	2.7
159.11703	9.9
161.09624	3.0
161.13263	3.1
163.11182	8.5
165.12894	1.2
169.10045	1.5
171.11693	3.0
173.09622	2.3
173.13263	5.6
175.11215	3.1
175.14838	1.2
177.12747	3.4
183.11691	3.7
185.13316	1.3
187.11240	3.0
187.14767	1.2
189.12762	1.9
191.14308	3.6
197.13185	1.8
199.14838	1.0
201.12747	2.6
207.13776	3.6
215.14441	1.8
215.17897	1.6
219.13811	2.4
229.19527	2.9
231.17349	1.8
233.15295	1.2
233.18967	1.7
237.14978	1.3
239.17938	4.3
247.20572	3.9
257.18994	17.9
258.19400	1.2
275.20053	100.0
276.20392	7.9
293.21140	9.1
294.21240	1.5
299.21713	1.0
305.99335	1.0
327.06308	1.1
349.07166	2.9
349.19724	20.0
349.23740	46.6
350.20105	1.6
350.23779	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	349.2376
Annotation	Vitex norditerpenoid 2
Peak:m/z	Relative Intensity
52.66090	3.3
55.05501	17.4
57.07075	16.8
63.56581	3.7
65.03941	7.5
65.49986	3.6
66.25723	3.6
67.01867	3.8
67.05507	14.0
69.07079	9.7
69.17669	25.2
71.08629	9.8
79.05489	10.5
81.07058	16.9
83.08627	6.5
89.06034	12.0
90.65403	4.0
91.05485	7.3
93.03411	5.8
93.07052	10.2
93.42310	3.5
95.04969	5.3
95.08631	11.2
97.06571	5.3
97.10108	3.7
103.05447	3.7
105.07068	4.0
109.06551	9.1
117.07045	7.5
119.08591	4.3
121.06496	4.1
125.06060	5.8
131.08583	6.9
135.08080	6.8
137.05968	24.2
139.07558	8.8
140.04716	11.7
145.10196	6.0
147.04478	4.0
147.11728	4.5
149.06058	7.0
149.09692	5.2
151.07529	3.6
151.09682	16.3
153.05470	100.0
155.07053	14.0
159.08112	6.5
163.03912	10.5
163.07513	9.8
163.11179	4.3
167.07054	17.5
168.04179	10.1
173.09630	5.9
177.05489	46.4
177.09134	4.8
181.04974	34.0
181.08591	4.0
181.53004	4.0
183.06528	70.0
191.07031	24.0
205.08600	8.5
219.10193	7.6
254.79749	3.8
261.22150	4.9
289.21600	11.2
297.27512	4.3
303.23203	12.3
317.21173	35.6
318.21661	4.5
321.24136	26.6
322.24280	4.2
331.22690	11.3
349.23581	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05511	17.4
67.05498	7.3
69.07061	18.4
69.21044	6.7
69.21449	16.0
75.76791	2.7
76.32175	2.8
77.06802	3.6
79.05478	3.8
81.07071	8.2
83.08624	8.3
89.64263	3.8
93.07082	4.8
94.11087	2.7
95.08624	8.4
107.08553	4.9
109.06505	8.5
109.10128	4.3
109.98092	2.8
121.10146	3.9
123.04501	3.7
123.08067	64.5
124.08482	4.5
125.06020	7.4
133.10146	4.4
135.08115	3.9
137.05963	12.8
137.09624	3.0
151.09702	3.4
153.05470	33.9
179.14282	7.0
249.75429	4.0
275.20090	4.5
293.21082	15.5
331.26257	7.0
349.18524	6.4
349.27405	100.0
350.27631	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	CP 47,497-C8-homolog C-8-hydroxy metabolite 
Peak:m/z	Relative Intensity
55.01861	0.5
55.05511	6.5
57.07065	1.4
67.05505	6.4
69.07071	6.1
69.55303	1.3
69.55644	0.8
71.04987	0.5
71.08627	1.0
79.05485	2.4
79.88805	0.4
81.07059	6.4
83.01340	1.2
83.08609	3.1
85.02826	0.5
91.05477	2.1
93.07056	0.6
95.04984	1.0
95.08621	4.1
97.10166	1.5
99.08094	0.5
104.99304	0.5
109.06514	3.3
109.07183	0.4
109.07423	0.4
109.10149	1.3
110.89449	0.4
111.04556	0.5
115.87901	0.4
117.06971	0.8
121.06487	1.1
123.04446	2.7
123.08063	0.6
125.05980	2.6
135.08072	0.7
137.05975	100.0
138.06241	3.0
139.07114	0.7
145.06470	0.6
149.05898	0.6
149.09604	0.6
151.07530	6.4
153.05399	0.8
163.07536	15.3
164.07843	0.8
177.09105	20.4
178.09450	0.7
183.06523	1.0
191.10667	2.9
207.10114	1.0
266.21185	0.7
266.97238	0.5
289.21677	0.6
307.22690	2.7
307.25604	0.5
331.26303	9.6
332.26614	0.8
349.18799	0.6
349.19629	0.6
349.23645	1.1
349.27335	16.2
350.27600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04710	0.5
54.76285	0.6
55.05258	0.8
55.05513	12.7
57.03447	1.1
57.06818	0.7
57.07077	10.4
61.72006	0.5
65.03939	0.6
67.01864	0.6
67.05506	10.8
69.06717	0.9
69.07070	14.1
70.62650	0.9
71.04982	0.8
71.08633	19.2
73.06127	0.5
79.05484	3.4
81.07057	13.0
83.01310	0.8
83.08618	6.8
84.74223	0.5
85.06534	4.5
85.10178	0.6
85.59991	0.5
85.60548	0.5
86.96437	0.5
89.06004	0.5
91.05474	2.6
93.07030	1.3
95.04970	1.5
95.08602	8.2
97.06511	0.6
97.10152	4.0
99.08096	10.5
102.01859	0.5
104.99293	0.6
105.07092	0.6
107.04948	2.8
107.08578	0.9
109.06499	3.1
109.10150	3.7
109.53533	0.5
111.04442	2.3
111.11716	1.4
113.09647	1.0
121.06461	1.6
121.10180	0.7
122.86521	0.6
123.04424	31.1
123.11700	0.9
124.04693	0.7
124.05229	0.6
125.06005	10.7
126.06377	0.7
127.11198	0.8
131.08427	0.6
133.06505	0.9
135.08034	1.3
137.05972	100.0
138.06815	9.8
139.07591	7.7
149.05981	6.6
149.09621	1.0
151.07535	5.0
152.07855	0.7
153.05472	0.9
153.08659	0.7
161.05995	0.6
163.07541	20.1
163.35025	0.5
164.07950	0.8
165.09059	0.5
167.07033	13.0
177.09103	19.9
178.09389	0.9
179.10689	0.8
187.07539	0.6
191.10657	5.1
193.08673	1.0
195.17448	0.5
205.12231	1.5
219.10216	1.1
219.21111	0.6
221.06223	0.6
235.16859	0.7
249.18532	0.6
263.20071	1.3
279.19525	1.7
289.21555	1.6
306.56119	0.6
307.22659	83.0
308.23071	6.1
331.22531	1.1
331.26263	9.7
332.26791	0.7
349.23804	3.1
349.27362	55.6
350.23978	0.7
350.27765	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	349.2739
Annotation	6-pentadecyl Salicylic Acid
Peak:m/z	Relative Intensity
55.05511	13.5
57.03422	0.9
57.06826	1.0
57.07077	13.8
62.41529	0.8
65.03919	1.0
67.05502	9.9
69.07065	16.6
71.08631	15.5
79.05494	4.9
81.07052	16.0
83.01311	1.0
83.04971	1.5
83.08622	7.4
85.06548	5.9
85.06978	1.0
85.10197	2.2
89.06029	3.6
91.05479	3.0
93.07042	2.1
95.04973	2.5
95.08608	10.7
97.06505	0.8
97.10164	4.9
99.08099	10.1
100.23843	0.9
107.04951	4.8
107.08527	0.9
109.06503	3.8
109.10136	2.8
111.04441	3.3
111.11718	1.2
113.09636	1.8
117.07031	1.0
119.08585	0.9
121.06508	2.0
121.10133	1.3
123.04429	30.3
123.11678	1.6
124.05283	1.8
125.05986	10.2
133.08615	1.8
135.08040	1.5
137.05977	100.0
138.06825	11.4
139.07593	11.8
149.05975	7.4
149.09628	0.9
151.07506	7.4
153.05388	1.7
161.05965	1.3
163.07533	23.4
167.07039	23.7
175.07477	1.4
177.09114	18.8
187.07623	1.6
191.10664	5.3
193.08617	2.8
195.12216	0.9
207.10176	2.0
219.10112	2.8
233.11717	1.3
275.80209	0.9
279.19568	2.0
289.21588	3.3
300.75922	0.9
307.22662	68.9
308.23026	5.1
321.24283	1.2
331.22644	1.7
331.26273	10.9
349.23666	4.6
349.27371	58.5
350.27625	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	6-pentadecyl Salicylic Acid
Peak:m/z	Relative Intensity
50.64407	0.5
55.05513	5.7
57.03440	1.4
57.07077	40.2
67.05507	6.3
67.89433	0.6
69.07069	11.6
69.83154	2.0
71.05013	0.8
71.08623	0.8
73.73830	0.6
74.73579	0.6
79.05490	1.4
80.94854	1.2
81.07052	9.3
83.01368	0.6
83.08617	5.9
85.06544	20.3
93.07052	1.1
95.08603	9.1
97.10160	1.4
98.22628	0.6
105.07023	0.9
107.04972	1.8
109.10143	3.9
111.04493	0.9
113.09669	2.4
121.06543	0.9
123.04421	4.9
123.11707	1.7
125.05997	16.6
127.11188	1.0
137.05975	23.5
137.13232	1.4
138.06821	3.6
139.07126	1.9
149.05978	0.7
151.07544	0.8
151.11168	0.7
163.07535	2.4
177.09105	1.6
180.10988	0.7
207.20996	0.7
225.22307	0.6
266.97391	0.7
307.22668	14.2
308.22998	1.8
349.27362	100.0
350.23587	1.2
350.27576	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	350.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	2.0
57.03447	1.3
60.05650	2.3
61.02917	2.0
64.02029	1.0
69.03429	3.8
70.06584	4.9
70.65129	1.5
76.29588	0.8
81.03407	8.4
85.02905	20.0
91.03929	1.0
97.02887	5.5
107.01315	6.5
109.02874	16.4
116.07092	1.5
125.02337	7.0
127.03913	39.6
128.04280	1.4
135.00769	1.2
135.04395	1.8
139.03940	2.2
145.04951	4.9
153.01830	31.0
153.05443	12.5
154.02132	1.5
171.02887	100.0
171.06506	7.2
172.03285	2.9
175.11871	9.4
176.12216	3.3
180.08620	1.2
248.08208	1.2
373.75510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88726	0.5
53.03958	0.7
55.01876	0.6
57.03448	0.7
61.02914	1.0
65.47736	0.5
69.03415	1.1
69.08819	1.3
69.09224	2.0
73.28519	0.4
77.99458	0.4
79.05505	4.3
81.03422	0.8
85.02912	5.3
95.04954	0.5
97.02902	1.8
107.04955	16.7
107.05679	0.9
108.05313	0.5
109.02852	0.8
125.05984	2.3
127.03917	0.9
135.04420	11.8
137.43076	0.6
145.04987	1.1
153.05470	100.0
154.05806	3.4
161.18803	0.5
171.06532	40.6
172.06853	1.4
180.08685	1.3
255.69615	0.6
324.91397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
55.05509	5.2
57.03426	1.6
61.02919	1.0
67.05498	9.4
69.03422	2.3
69.60805	1.8
69.61195	1.4
71.04981	3.1
79.05498	16.1
81.03453	1.1
81.07072	6.4
82.07364	1.0
83.04987	2.9
85.02902	3.4
85.06545	8.9
87.04462	2.2
91.05489	2.9
93.07051	10.1
95.04959	2.8
97.02884	3.3
98.23387	1.8
99.04452	9.0
101.02354	1.1
105.06970	1.4
107.04968	7.6
107.08591	24.7
108.08945	1.2
109.06513	1.0
109.10130	1.6
111.04436	6.7
117.07031	10.5
123.04509	1.1
124.02343	1.0
125.09624	5.2
135.08049	23.6
135.09071	1.7
135.11723	3.2
136.08357	1.3
139.03899	24.7
143.10701	2.4
151.03938	1.5
153.05530	1.0
153.09105	46.2
153.12752	2.7
154.09430	1.9
163.03883	1.5
171.10168	100.0
172.10524	3.6
181.05040	2.2
187.46072	0.9
189.48424	0.9
198.46828	0.8
246.94420	1.0
350.20700	1.3
351.10492	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	350.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
55.05517	5.8
57.03439	1.9
61.89723	1.2
62.28316	1.2
65.03951	2.0
67.05511	10.0
69.03429	3.5
69.07086	2.5
71.04995	7.8
79.05494	17.0
81.03417	2.1
81.07050	12.2
82.07391	3.1
83.04982	3.9
84.04489	2.5
85.02908	11.6
85.06557	7.3
86.03270	1.4
87.04465	1.9
91.05486	6.4
93.07053	13.5
95.04961	3.8
95.08592	1.7
97.02889	6.2
97.06539	2.5
98.22803	1.4
99.04459	11.8
103.10133	1.2
105.07063	2.2
107.04939	9.0
107.08592	32.5
108.08947	1.6
109.06509	3.8
109.10153	5.2
110.10483	1.9
111.04454	6.6
117.07039	9.3
122.02692	1.5
123.11689	1.7
124.12061	2.3
125.09618	8.7
127.03909	1.9
135.08052	30.7
135.11697	2.9
139.03896	17.6
140.07056	1.9
143.10719	1.5
145.04942	2.3
151.11194	1.5
152.11575	2.5
153.05446	3.6
153.09105	44.9
153.12778	5.1
154.09471	2.2
154.92601	1.2
157.12263	1.4
158.12518	1.8
169.12224	3.9
170.12569	6.8
171.10164	100.0
172.10544	3.9
188.13680	1.9
190.04974	2.3
303.37817	1.4
304.05331	1.4
326.80963	1.2
350.20926	1.3
351.10641	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75077	0.8
53.03964	0.7
55.01873	1.4
55.05505	3.1
57.03428	1.6
57.07074	3.7
57.31308	0.8
59.04982	1.3
60.05648	2.0
61.02917	2.1
65.03938	0.7
67.05510	6.3
69.03438	4.1
69.07067	3.4
69.36794	3.7
70.06579	1.8
71.04991	17.1
73.02919	1.8
77.03902	0.7
79.05502	6.1
81.03426	1.7
81.07059	23.8
82.07361	0.8
83.04972	2.5
83.08618	2.0
85.02903	16.2
85.06542	9.3
86.03562	3.5
86.09702	2.2
88.39281	0.7
91.03947	0.8
91.05473	4.0
93.07049	23.3
94.07422	0.9
95.04945	1.0
95.08607	15.6
97.02898	15.0
97.06528	2.0
98.23402	1.9
99.04471	0.8
105.07018	1.6
107.04917	1.0
107.08597	22.0
108.08894	1.0
109.02888	1.4
109.06529	1.3
109.10152	3.9
111.04455	2.6
115.03902	0.9
117.07001	0.8
120.08103	2.7
123.11773	0.7
125.09597	1.4
127.03925	3.2
133.04968	0.8
135.11688	28.1
136.12021	1.0
137.13242	8.5
141.06638	0.7
145.04979	6.4
153.09108	100.0
153.12717	12.9
154.09456	4.4
157.13300	0.7
158.11858	0.8
163.06027	2.5
164.07108	1.0
166.08658	1.2
166.39597	0.7
171.10165	40.2
172.10512	1.9
179.05521	1.1
180.08714	1.6
193.09763	0.9
196.69376	0.8
217.09673	1.6
224.38513	0.7
248.13931	29.4
248.16495	1.6
266.14868	1.1
307.20139	1.2
314.39236	0.8
317.78610	0.7
350.24170	1.5
351.10513	0.8
351.22778	2.8
351.44986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71227	1.7
53.03939	1.6
55.05513	10.3
56.96558	2.3
57.03435	3.1
59.05011	2.3
67.05500	8.4
69.03423	6.0
69.07067	3.8
69.84886	4.0
71.04990	8.4
79.05480	6.5
81.03421	2.5
81.07051	22.1
83.04968	4.0
83.08620	11.9
84.96025	2.2
85.02895	22.5
85.06537	3.9
86.09696	1.9
91.05467	6.6
93.07039	42.2
95.05018	1.4
95.08602	31.3
96.08904	2.1
97.02875	6.3
97.06524	22.1
97.96773	1.8
98.97585	9.5
101.09627	3.8
107.08588	60.1
108.08897	2.1
109.06466	1.9
109.10149	39.6
110.10502	3.1
110.97527	2.4
111.08080	3.2
116.98597	4.0
120.08083	3.1
122.06036	2.8
123.11697	18.9
125.05968	2.4
127.03881	4.8
128.98596	3.1
135.11684	100.0
136.12016	5.1
138.67296	1.5
140.07085	4.4
141.12720	4.9
145.04961	3.5
152.07030	2.3
153.12738	55.8
154.05046	2.1
154.13126	2.2
164.14302	3.2
171.09154	2.5
171.13794	59.0
177.00601	1.9
180.06563	6.2
184.36482	1.9
188.13727	3.1
189.10194	2.2
195.62015	1.7
207.03267	2.6
217.09596	2.5
218.05869	2.1
219.01753	3.4
228.08369	1.9
230.10085	1.7
237.02773	4.8
243.10898	2.1
248.14059	2.0
252.12950	1.7
253.15950	1.8
259.10580	2.9
263.83194	1.4
304.13693	18.8
307.20120	4.9
309.06439	4.0
319.13116	1.9
320.13116	6.7
327.07425	16.8
332.12976	2.6
350.14825	2.4
350.19226	2.3
351.07538	3.6
351.14185	1.8
351.22647	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05504	5.1
56.70855	1.1
57.03441	3.9
57.07063	1.7
61.02918	3.4
64.96274	1.1
66.85310	1.2
67.05506	16.3
69.03431	5.8
69.07067	11.5
69.36787	2.4
69.37189	5.0
70.06591	1.5
79.05492	10.5
81.03407	1.6
81.07064	10.3
85.02905	24.5
91.05466	6.2
93.07047	32.8
95.04965	2.3
95.08606	24.4
97.02887	4.2
97.06548	2.0
97.26398	1.2
99.04462	1.6
105.07027	4.3
107.08591	40.6
108.08906	1.7
109.02838	2.7
109.06500	2.1
109.10156	100.0
110.10493	2.8
111.11742	2.2
119.08595	2.7
121.10118	1.5
123.11688	2.4
127.03876	2.1
133.10149	2.4
135.11691	76.3
136.12053	1.8
143.35872	1.3
145.04932	2.6
147.11670	3.7
153.12769	9.8
159.11554	2.0
163.06123	1.7
171.13779	2.3
175.11243	2.0
176.12848	2.2
193.12256	3.8
208.84305	1.2
211.13295	2.1
229.14377	4.6
270.43106	1.2
350.28989	10.2
351.10468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
53.69976	1.3
55.05508	3.3
57.03430	3.4
57.07071	2.9
61.02924	2.4
67.05497	5.0
69.03421	6.4
69.07069	10.0
71.04979	2.6
77.63087	1.4
79.05492	19.9
81.03417	1.9
81.07042	9.4
83.04961	1.6
83.08588	1.8
85.02910	31.3
91.03951	2.5
91.05466	11.2
93.07042	54.7
94.07351	1.6
95.04942	2.5
95.08614	16.4
97.02901	8.3
97.06534	21.0
105.07018	5.2
107.08595	55.2
109.02885	3.1
109.06539	2.0
109.10153	35.4
110.10517	2.8
119.08550	3.1
125.13274	2.7
127.03895	8.3
134.41904	1.4
135.11691	100.0
136.12050	2.5
137.13245	2.3
145.04938	8.1
151.11148	3.4
153.05518	2.7
153.11572	3.0
153.12744	35.0
163.06015	3.3
203.07057	1.7
204.07516	2.1
213.27473	1.6
230.05260	1.6
247.94038	1.5
248.06485	1.7
262.08112	2.0
272.06348	3.4
290.07462	3.3
350.09433	4.0
351.14111	1.9
367.97812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29514	1.8
53.03951	1.8
54.12924	1.8
55.05505	6.3
57.03433	2.5
57.07067	5.2
61.02922	4.5
65.93015	1.8
67.05511	4.6
69.03425	9.4
69.07071	35.6
71.04993	17.1
71.44105	2.1
73.02917	3.8
74.82562	2.2
75.16483	1.8
79.05476	7.6
81.03426	3.4
81.07065	26.1
83.04945	2.3
83.08612	7.0
85.02905	33.5
91.05454	10.0
93.06464	2.8
93.07049	47.3
94.07353	2.8
95.04966	3.0
95.08602	14.9
97.02915	6.6
97.06518	6.6
105.07040	5.6
107.08595	32.0
108.08936	2.0
109.02869	3.8
109.10168	11.4
115.03932	2.0
119.08569	6.0
121.10168	2.0
125.13281	8.3
127.03929	6.7
135.11693	54.5
136.12032	3.3
137.06000	5.5
137.13210	3.3
145.04964	6.5
153.12744	100.0
154.13063	6.5
163.06024	3.0
163.07489	3.4
165.12674	2.7
177.09149	4.5
189.09065	2.9
191.10684	2.0
219.10246	2.1
351.14490	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.5
56.96562	1.3
57.03430	1.6
57.07077	1.7
61.02925	2.1
67.05486	2.2
69.03436	3.9
69.07066	9.6
69.29549	6.0
71.05017	1.5
75.15806	1.0
79.05493	19.9
81.03412	1.6
81.07040	6.1
83.04996	2.6
83.08632	2.0
84.22011	1.0
85.02905	18.9
91.05472	4.7
93.07046	35.6
95.04957	3.0
95.08614	4.1
97.02895	3.1
97.06531	5.1
97.99190	1.1
105.07034	3.1
107.08595	30.2
109.02905	1.9
109.06519	1.5
109.10169	2.5
111.04430	1.1
115.00513	1.0
118.09505	1.1
119.08565	1.7
123.11731	2.0
125.13225	1.2
127.03929	4.0
133.10141	1.6
135.11693	100.0
136.12070	4.1
139.03871	1.7
141.12732	3.6
145.04932	6.8
153.12770	11.4
163.06035	3.1
171.13814	7.8
180.08597	1.3
220.06529	1.6
221.04417	2.1
260.74057	1.2
290.88702	1.4
297.16840	1.3
304.64948	1.2
350.12668	1.3
351.10480	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	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15940	1.2
63.00114	1.1
64.79047	1.1
66.39053	1.0
69.49855	1.2
69.62958	5.0
75.62489	1.0
82.51891	1.0
98.15947	1.1
107.08589	1.6
109.10096	1.3
135.79645	1.0
139.03894	15.4
153.12703	2.9
181.04826	1.3
182.68822	1.0
213.10248	1.4
220.11792	2.2
240.97519	1.2
242.10551	1.4
260.11472	1.5
274.49130	1.2
301.11810	2.4
319.12845	5.1
351.06848	100.0
351.15555	7.6
351.20093	2.4
352.03146	1.2
352.06970	6.8
369.07941	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23434	3.8
57.63744	4.2
57.64734	3.7
61.32336	3.7
63.51532	3.6
69.86135	10.0
76.93237	3.7
123.58533	4.0
176.96323	3.7
193.25293	3.9
235.06606	3.9
283.20111	4.5
333.06808	4.6
351.06870	100.0
351.11160	4.0
351.13068	5.1
352.07346	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	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.5
70.06581	1.2
77.92137	0.7
81.03409	1.0
84.96034	2.1
85.02912	1.8
92.39101	0.7
97.02885	0.9
98.97582	100.0
99.97997	0.7
103.00981	0.7
107.04971	2.2
108.05299	2.3
110.97579	6.9
112.99153	0.9
116.98621	36.7
127.03921	0.8
128.98613	6.9
131.00212	0.9
134.99652	8.3
135.04433	1.3
136.04750	0.8
137.63200	0.7
139.03960	1.9
140.98616	1.3
143.00185	1.2
144.98083	1.3
145.01726	1.6
146.99669	2.1
147.03285	3.5
152.98672	1.3
153.01883	2.4
153.05464	13.4
153.19717	0.8
154.02170	2.6
154.05794	12.8
157.01740	0.9
158.99661	39.5
161.01256	2.4
163.02776	1.2
165.04454	1.1
170.99750	2.0
171.03229	4.9
171.06538	6.5
172.06863	6.4
175.11969	0.9
177.00711	28.1
189.00710	1.7
189.04338	11.4
195.01781	1.7
201.00642	0.8
201.04370	1.2
207.05479	1.5
219.01778	11.0
231.05458	2.3
235.06596	0.8
237.02797	12.2
249.06335	1.2
249.62193	0.9
255.03889	1.0
280.98080	0.9
291.07492	24.0
298.06543	1.7
309.08560	66.4
310.08978	2.8
316.07471	0.8
328.05838	1.0
332.10138	2.1
350.98813	0.9
351.09875	39.4
352.10239	2.4
352.15820	0.9
366.10925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.5
70.06581	1.2
77.92137	0.7
81.03409	1.0
84.96034	2.1
85.02912	1.8
92.39101	0.7
97.02885	0.9
98.97582	100.0
99.97997	0.7
103.00981	0.7
107.04971	2.2
108.05299	2.3
110.97579	6.9
112.99153	0.9
116.98621	36.7
127.03921	0.8
128.98613	6.9
131.00212	0.9
134.99652	8.3
135.04433	1.3
136.04750	0.8
137.63200	0.7
139.03960	1.9
140.98616	1.3
143.00185	1.2
144.98083	1.3
145.01726	1.6
146.99669	2.1
147.03285	3.5
152.98672	1.3
153.01883	2.4
153.05464	13.4
153.19717	0.8
154.02170	2.6
154.05794	12.8
157.01740	0.9
158.99661	39.5
161.01256	2.4
163.02776	1.2
165.04454	1.1
170.99750	2.0
171.03229	4.9
171.06538	6.5
172.06863	6.4
175.11969	0.9
177.00711	28.1
189.00710	1.7
189.04338	11.4
195.01781	1.7
201.00642	0.8
201.04370	1.2
207.05479	1.5
219.01778	11.0
231.05458	2.3
235.06596	0.8
237.02797	12.2
249.06335	1.2
249.62193	0.9
255.03889	1.0
280.98080	0.9
291.07492	24.0
298.06543	1.7
309.08560	66.4
310.08978	2.8
316.07471	0.8
328.05838	1.0
332.10138	2.1
350.98813	0.9
351.09875	39.4
352.10239	2.4
352.15820	0.9
366.10925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49607	0.2
60.04521	0.3
60.36123	0.2
69.86091	0.6
69.86422	0.2
78.46980	0.2
98.22739	0.3
139.03880	3.2
155.07095	0.2
181.05081	0.3
189.05179	0.4
189.70221	0.2
207.90526	0.2
242.10440	0.3
246.07495	0.3
284.04431	0.3
301.11621	0.6
319.12894	1.6
351.07089	3.9
351.10468	100.0
352.06528	0.3
352.10822	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	351.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49371	0.5
62.11905	0.5
69.62201	1.0
69.62556	1.7
137.05974	1.0
139.03902	2.3
151.03964	0.6
155.07014	0.9
174.96881	0.7
185.04214	2.1
189.01576	0.9
189.05299	1.3
280.20938	0.7
351.06747	15.2
351.10495	100.0
352.07068	1.1
352.10800	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	351.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.2
55.01870	0.4
55.05511	0.2
65.03947	1.1
65.54008	0.2
67.01860	0.2
67.05492	0.7
68.99778	1.1
69.36320	0.5
69.36713	0.7
71.89993	0.2
74.32871	0.2
77.03933	0.3
77.58276	0.2
79.05495	0.3
83.04969	1.0
84.04490	0.3
85.02904	0.5
93.03413	0.6
95.04404	0.3
95.04962	2.4
97.02863	0.5
105.04499	0.3
107.04974	0.2
109.02895	0.3
110.03636	0.3
111.04433	3.5
121.02919	0.2
123.04433	5.0
124.02299	0.2
137.79083	0.2
139.03894	100.0
140.04169	2.5
149.02299	0.2
151.03900	6.5
153.05467	0.8
155.07011	1.8
163.03973	0.5
167.07047	0.6
169.04941	0.4
171.06615	0.3
179.03378	0.5
179.07030	1.8
181.04939	4.9
181.06425	0.4
183.06512	3.4
193.04944	0.6
195.06630	0.3
197.30988	0.2
207.06508	0.8
210.18312	0.3
213.07510	0.5
225.07567	0.7
273.07458	0.2
301.06921	0.3
305.10214	2.8
309.52365	0.3
323.10458	0.2
326.87540	0.2
333.09665	3.9
334.10025	0.2
351.10611	0.6
351.18753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07081	0.1
62.37733	0.1
65.03915	0.9
69.53458	0.5
70.06579	0.4
71.89925	0.2
91.05474	11.5
92.05817	0.3
93.07042	0.2
105.14790	0.1
117.55538	0.1
119.04935	29.5
120.05271	0.9
130.06508	0.3
132.08090	0.5
143.52170	0.2
146.05991	0.6
147.04396	100.0
148.04745	3.2
158.56535	0.2
159.09163	2.4
188.07019	0.7
188.08492	0.2
189.09013	0.2
205.09662	0.3
217.08601	0.6
244.22620	0.2
245.80266	0.2
273.15039	0.2
275.31265	0.2
277.10703	0.2
327.58234	0.2
350.29099	0.9
351.13672	0.2
351.17755	0.2
351.29126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.134
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.9
70.06596	0.8
81.07053	0.6
89.28466	0.3
91.05480	9.3
92.05822	0.4
93.07035	1.0
95.08604	0.5
104.75594	0.4
105.06990	0.5
107.08625	0.5
108.32661	0.3
119.04945	21.8
119.08573	0.6
120.04531	0.4
120.05305	0.6
130.06471	0.5
132.08076	0.4
133.10170	0.4
135.11703	0.5
147.04410	100.0
148.04758	3.5
159.09161	2.4
160.09535	0.4
173.24953	0.3
188.07104	0.8
194.15300	0.7
197.71796	0.3
249.15771	0.3
291.20673	0.6
292.19266	0.4
351.24570	2.5
351.28784	0.5
353.34500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	37.1
57.91820	15.0
67.05508	26.3
69.07079	11.8
70.35255	23.8
71.08650	38.9
79.05485	20.1
80.94860	25.3
81.07062	30.8
91.05505	26.3
93.07059	19.4
94.60555	12.5
95.08591	20.5
99.08067	26.9
103.11546	13.9
121.10109	17.3
133.10228	14.6
142.70970	13.4
151.11302	15.1
163.11218	20.0
172.12274	13.2
229.07463	15.9
244.31056	13.2
277.21658	22.3
351.18951	100.0
351.25461	41.5
369.19556	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	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54189	16.8
55.05487	22.8
56.96576	32.1
57.68268	19.4
62.53557	17.2
71.08611	26.7
80.94817	31.6
81.07048	33.7
83.34439	20.2
84.08128	22.8
91.80180	21.8
93.07027	30.6
95.08596	25.6
99.08078	19.1
104.99324	36.1
105.07358	21.8
121.10129	19.9
123.04458	53.5
133.10316	38.2
134.10660	19.1
151.18649	19.4
163.07527	19.3
171.11967	23.6
229.07552	41.6
243.09264	24.2
333.24185	34.3
340.87421	21.1
351.18680	64.1
351.23706	100.0
374.68561	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2014
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.24706	2.2
55.05532	3.0
58.45021	2.1
59.04988	3.5
61.38816	2.0
67.05513	5.4
67.78022	2.2
68.05813	2.3
69.03451	2.8
69.07072	3.9
71.04990	18.9
71.26112	2.7
73.06570	4.1
79.05492	4.5
81.07062	18.2
85.02898	7.4
85.06535	4.9
93.07050	11.7
95.04964	5.0
95.08576	6.4
97.06517	7.9
98.97607	3.6
105.06989	2.9
107.08591	10.1
108.15195	2.6
109.10148	6.6
113.06031	2.5
114.06363	4.4
119.08578	2.5
123.11692	9.7
135.11685	21.3
137.09590	3.2
139.03900	8.9
141.12747	40.8
153.09039	2.2
153.12743	67.2
154.13069	3.0
155.10678	6.1
171.13815	100.0
172.14149	2.5
189.12938	4.2
189.14830	11.2
194.13998	2.4
221.04372	5.4
230.29001	2.7
263.98029	2.5
269.96078	2.4
351.10236	4.4
351.14288	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	351.2014
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03939	1.8
55.01853	3.0
55.05521	2.7
57.03424	2.4
57.07075	3.0
59.04998	3.0
65.29272	1.7
67.05497	9.8
69.03424	5.2
69.07068	11.6
69.57768	4.3
69.58118	3.1
71.04628	1.5
71.04988	29.3
73.06561	5.4
79.05492	8.4
81.03433	2.7
81.07055	33.9
83.08587	3.2
85.02892	16.1
85.06546	9.8
91.05474	6.4
93.07046	33.8
95.08609	16.0
97.02902	3.1
97.05904	2.6
97.06528	48.9
107.08597	26.6
108.08938	1.7
109.10163	25.0
111.08086	10.2
119.08572	6.5
123.04425	4.6
123.11702	13.9
125.09660	2.2
127.03901	2.2
127.11186	12.7
130.99365	1.6
135.11691	41.4
136.06146	1.9
137.06010	1.7
137.09630	11.6
139.03902	73.0
140.04202	2.6
141.12741	45.7
145.04964	2.7
147.04413	2.9
151.03902	5.0
153.12743	94.3
154.13084	8.4
155.10666	36.3
171.13805	100.0
173.11734	33.2
179.07097	2.1
181.04979	5.2
183.06618	4.5
189.13158	3.6
189.14859	70.9
190.15260	3.0
274.75104	1.8
333.09753	4.3
351.14545	2.6
369.05365	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56017	3.3
69.03421	5.0
69.07064	5.1
69.76630	3.4
70.42251	3.6
71.04994	25.4
73.06570	5.3
79.05502	3.7
81.07047	23.4
85.02912	9.6
93.07058	19.5
94.07347	3.9
97.06538	10.8
98.23360	3.5
104.52921	3.8
104.93369	2.9
107.08596	13.0
109.10172	5.7
123.11716	10.6
135.11697	43.4
136.11995	6.5
141.12732	41.3
153.12747	67.4
154.13078	7.0
160.95560	3.1
171.13806	100.0
172.14101	6.0
174.06523	3.7
189.14882	11.4
221.04372	5.1
351.10477	19.0
351.14191	3.9
351.18149	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05505	2.0
57.03451	0.9
63.19313	1.2
65.45780	1.0
65.88460	0.8
66.95309	0.9
67.05513	5.1
67.14066	0.8
69.07063	2.4
69.35464	2.0
69.35852	2.5
70.00791	0.9
71.08635	2.7
79.03431	0.9
79.05489	3.9
81.07061	5.7
91.05480	4.2
93.07057	6.6
95.08598	2.5
99.08069	2.6
105.07027	4.2
107.08590	3.6
109.10195	0.9
119.08572	3.7
121.10140	2.0
131.08580	1.6
133.10124	2.6
135.11674	3.2
145.10150	2.0
147.11694	4.1
150.09206	1.1
151.11270	2.2
161.13292	3.2
163.11223	1.5
165.46275	1.0
171.11664	1.3
185.13307	1.2
194.11722	1.7
219.77203	0.9
241.19507	1.6
259.20609	4.0
267.78149	0.9
277.21545	2.0
333.20374	3.1
333.24197	1.3
351.21414	100.0
351.25226	7.5
352.21667	10.3
352.28323	4.5
368.62378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
69.07069	0.7
74.42957	0.8
107.08607	1.0
119.14162	0.8
136.31433	0.7
137.52322	0.7
177.68649	0.7
190.89444	0.7
273.03925	0.8
286.23465	0.8
306.38156	0.7
309.83710	0.8
333.20328	1.4
351.21411	100.0
352.21658	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2166
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
53.37961	0.4
55.01876	0.5
55.05507	6.6
56.96578	0.4
57.03435	0.7
57.07066	2.0
59.97744	0.4
63.16102	0.4
67.05499	3.5
68.02637	0.9
68.99788	3.1
69.07065	4.5
70.61561	0.5
71.01337	0.4
71.08620	1.6
73.14980	0.4
79.05479	1.5
81.07047	3.3
83.04980	0.7
83.08603	1.5
85.10157	0.4
91.05478	1.0
93.07043	1.4
94.53468	0.4
95.04980	1.0
95.08619	2.1
97.10174	0.7
99.08073	0.7
105.07037	1.4
107.04932	0.7
107.08597	1.0
109.10184	1.2
111.04440	0.8
113.02359	0.7
113.05971	0.5
115.00277	1.4
115.20089	0.5
117.06970	0.4
121.10143	0.4
123.04459	0.5
125.02332	0.8
127.03928	1.2
130.35638	0.4
131.08560	0.6
133.10115	0.6
135.11661	0.7
137.05960	0.5
139.03885	1.7
141.01830	2.8
147.11766	0.5
149.06024	0.5
151.07570	0.5
151.11186	0.6
153.01880	0.8
153.05478	0.6
155.03397	5.2
161.05824	0.4
163.07533	0.5
166.02563	0.5
169.01350	3.5
170.02107	1.4
171.02878	5.1
177.09024	0.5
178.08493	0.4
179.14368	1.1
181.08644	0.7
182.02003	0.5
183.02888	5.7
184.03635	5.2
185.04497	2.3
193.08623	0.5
197.04451	18.2
209.11815	0.6
211.06033	1.1
244.01785	0.4
281.13785	0.5
351.21643	100.0
352.21948	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	351.2168
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
53.03939	1.2
55.01870	2.5
55.05267	1.0
55.05514	15.8
57.03419	1.7
57.07057	1.7
65.03927	2.2
67.05161	1.1
67.05502	17.5
68.05809	0.7
68.99780	1.6
69.03427	0.8
69.06712	1.0
69.07068	13.8
69.53679	2.3
71.01352	0.8
71.04987	1.4
71.08631	15.4
72.08977	0.7
77.03878	0.8
79.05483	5.8
79.52293	0.5
81.03394	0.7
81.06645	0.5
81.07056	12.6
83.01349	1.0
83.04975	2.3
83.08622	8.7
85.02890	1.5
85.06515	0.8
90.31298	0.6
91.05479	5.1
91.53391	0.6
93.03394	1.1
93.07039	3.8
95.04970	10.1
95.08603	12.1
97.06535	1.3
97.10141	2.5
99.08092	13.3
105.03401	1.4
105.07017	3.5
107.04945	2.7
107.08565	3.2
109.02866	0.9
109.06531	1.9
109.10152	4.3
110.03680	0.5
111.04446	4.9
111.08092	1.0
113.02355	2.1
113.05998	1.3
115.05399	0.7
115.11194	1.5
117.07010	1.5
119.04926	1.8
119.08578	1.1
119.25269	0.6
121.02834	0.8
121.06512	1.2
121.10159	1.6
123.03518	1.2
123.04429	25.4
123.08035	1.1
123.11674	2.1
124.04773	0.9
125.02339	2.1
125.05998	1.9
126.03120	8.3
127.03922	3.6
127.11200	1.8
129.05525	0.7
129.07005	2.5
131.08548	3.9
133.02814	0.8
133.06490	1.6
133.10144	1.9
135.04417	1.0
135.08044	0.8
135.11720	0.8
137.05952	6.2
139.03893	21.6
139.07549	0.7
140.04224	0.7
141.05463	31.0
141.12714	1.1
142.05797	0.9
143.08513	1.5
145.06500	0.7
145.10170	0.8
147.04439	2.2
147.08041	2.4
149.02344	2.6
149.06017	0.8
149.09612	2.2
151.03903	1.5
151.05042	1.1
151.07561	1.9
153.01852	4.0
153.05473	8.6
154.02620	4.0
155.03404	8.5
155.07008	0.7
157.06480	1.1
157.10152	1.7
159.08076	1.1
159.11685	0.8
161.02417	0.7
161.05981	2.7
161.13211	0.6
163.03882	3.6
163.07520	1.7
163.11208	1.2
163.14883	1.1
165.05519	3.0
165.09052	0.6
167.03413	4.8
167.07068	2.3
168.04155	1.3
169.04958	100.0
170.05264	3.1
173.09593	0.7
175.03963	1.4
175.07495	3.0
175.11201	2.6
177.05453	3.5
177.09126	2.4
179.03391	1.5
179.07039	4.6
181.04987	1.0
185.05875	0.6
187.07541	1.9
189.09132	1.8
191.07074	1.6
191.10678	1.0
193.04950	1.4
193.08647	2.3
193.12180	2.9
195.06570	1.9
199.07594	0.6
201.09283	0.8
203.07065	1.6
203.10706	5.0
205.08606	1.5
207.10164	5.8
207.13809	1.6
213.09221	0.7
217.08559	0.9
217.12242	3.0
219.10149	6.6
221.08112	0.9
221.11722	1.0
225.14879	2.0
231.10036	1.6
235.13269	5.4
249.11205	0.7
255.17368	1.0
267.21292	0.6
273.18576	1.9
283.17075	1.1
287.20065	1.1
291.19540	1.2
301.17953	0.8
305.21066	2.8
315.19681	1.7
319.18973	5.4
323.22165	33.5
324.22458	2.8
333.20599	7.6
351.21646	97.0
352.22031	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	351.2169
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
51.06665	0.9
53.03959	1.5
55.01870	3.9
55.05515	11.3
57.03431	2.1
57.07078	20.7
59.05005	1.2
65.03928	1.8
66.06712	1.0
67.05508	12.6
69.07067	8.5
69.46727	2.1
69.47113	2.4
71.04987	5.9
71.08647	9.2
72.08151	2.6
76.80509	1.1
79.05489	5.3
81.07053	10.5
83.04980	2.0
83.08624	6.9
84.36678	1.0
85.06544	1.7
91.05490	7.6
92.76707	1.0
93.07040	4.3
95.04972	8.2
95.08609	9.0
97.06549	1.4
97.10175	2.4
97.68652	1.2
99.08112	5.5
102.71303	1.0
103.57719	1.1
105.02726	1.1
105.03423	1.8
105.07020	5.2
107.04919	6.1
107.08599	3.9
109.06548	2.0
109.10169	6.5
111.04439	3.8
115.05444	2.8
117.07060	2.1
119.04935	8.2
119.08556	2.3
121.10137	1.5
123.04431	16.8
123.11729	1.9
125.05999	10.0
126.03127	3.3
127.03895	4.9
127.11198	3.0
131.08571	1.7
133.06485	10.8
135.04431	2.4
135.08017	1.3
135.11632	1.1
137.05986	19.9
139.03882	7.4
141.05466	14.5
147.04387	18.0
147.08011	3.2
149.02399	1.9
149.06000	3.7
149.09694	1.3
151.03929	2.6
151.07555	1.3
153.01884	2.8
153.05466	31.9
154.02573	3.1
155.03368	4.9
155.78273	1.1
157.10152	1.1
159.08131	1.6
161.05977	26.7
161.09622	1.5
163.03957	2.3
163.07498	6.0
165.05449	4.6
165.09029	1.2
165.12675	1.4
167.03368	2.3
167.07043	4.2
168.07327	1.2
169.04964	47.6
169.15877	3.8
170.05359	1.7
175.03789	1.2
175.07561	8.6
175.11058	1.6
177.05434	1.1
177.09161	2.7
179.07047	18.5
189.09052	7.4
193.08601	56.0
194.08969	4.5
203.10681	3.0
205.08656	1.4
207.10222	3.3
219.10036	2.6
225.14879	1.1
231.10043	1.3
231.17484	1.2
235.13309	3.2
259.16965	6.2
273.18481	3.2
291.19550	100.0
292.19925	9.2
299.41626	1.1
305.20920	1.1
309.20596	1.2
319.19122	4.3
323.22202	20.9
324.22394	1.8
333.20602	4.4
335.22205	3.2
351.21628	50.5
351.24838	2.7
351.33710	1.5
352.22189	10.7
352.32220	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	(10)-Gingerol
Peak:m/z	Relative Intensity
55.01866	0.9
55.05506	2.2
57.03432	1.2
57.07082	0.9
65.03927	0.6
67.05500	6.8
67.93278	0.5
68.99802	0.9
69.07054	2.3
69.76554	0.9
69.76923	1.3
71.08631	27.9
75.93061	0.5
79.05487	1.5
81.07050	4.9
83.08643	2.8
93.07034	2.2
95.04961	2.8
95.08595	3.8
96.72022	0.6
97.10164	1.5
98.22744	1.1
99.08094	16.5
99.08729	1.0
107.04958	1.2
107.08595	1.2
109.10143	2.5
118.99471	0.6
121.06493	0.8
123.04429	100.0
124.04756	2.3
127.11263	1.2
133.10231	1.1
135.08084	1.5
135.11597	0.6
137.05986	3.8
147.77267	0.6
149.05983	19.2
161.05988	2.4
163.07542	24.7
164.07907	1.0
175.07518	3.2
177.09082	4.0
183.78217	0.5
189.09055	3.1
195.10139	0.7
203.10658	2.3
217.12320	1.3
221.76633	0.6
264.32904	0.6
315.23166	11.5
333.24237	57.4
334.24539	4.3
351.23740	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93771	4.1
53.03971	4.7
55.01863	5.7
55.05514	20.7
56.96556	4.5
57.03430	18.5
57.07064	8.1
60.78337	4.0
61.64956	4.6
67.05502	48.7
69.07062	16.2
69.30327	10.6
69.30714	8.3
71.08632	67.7
72.04505	7.7
72.08147	16.0
79.05479	31.7
80.94836	10.9
81.03442	4.4
81.07056	52.6
83.04992	13.1
83.08628	6.9
83.27030	4.1
85.06557	6.1
89.43421	4.7
91.05488	26.4
93.07039	56.6
95.04957	15.2
95.08617	41.4
97.06541	12.4
99.08089	39.1
104.99294	6.5
105.07030	17.8
107.04955	7.4
107.08589	26.3
109.06495	14.9
109.10154	18.7
113.09657	5.7
113.97493	4.2
114.09173	4.4
116.07559	4.5
117.07117	4.7
119.08589	21.2
121.10122	23.4
123.08003	5.3
131.08524	6.0
133.10112	11.1
135.11705	32.4
137.09590	5.8
141.09161	4.8
147.08035	4.5
149.13268	12.0
151.11200	17.0
159.11769	5.3
161.13318	18.5
163.11220	7.7
165.12776	48.0
171.11798	4.9
173.13341	4.4
177.12706	6.4
179.14310	86.8
180.14503	6.1
213.30978	4.3
236.20129	7.0
260.68246	4.6
277.21613	36.1
289.21548	15.4
297.99738	5.3
312.14069	4.1
333.24106	5.9
334.27386	23.2
334.31052	8.3
351.21292	12.4
351.25278	100.0
351.33640	14.2
352.24976	5.6
352.28552	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57370	9.2
55.05509	22.1
57.03435	21.9
63.69360	9.3
67.05502	75.4
69.07064	11.0
71.08627	21.6
79.05488	60.1
80.94852	13.1
81.07056	65.8
83.04998	14.4
83.08617	8.9
84.96078	9.4
91.05451	50.1
93.07035	100.0
95.08604	39.5
99.08104	19.0
105.07024	56.0
107.08604	31.9
109.10167	13.6
117.06933	14.6
119.08567	38.3
121.10152	30.6
131.08612	13.3
133.10126	33.6
135.03291	8.9
135.08081	9.7
135.11687	39.7
136.22542	9.2
145.10178	15.1
147.11667	33.4
149.13228	18.0
159.11674	11.0
161.13249	29.3
165.46924	8.9
173.13348	10.5
175.14828	12.7
179.14345	49.3
188.84100	9.3
241.19481	33.0
259.20514	73.5
277.21600	33.8
323.35205	12.2
333.24136	12.3
351.21722	10.8
351.25427	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	5-cis Carbaprostacyclin
Peak:m/z	Relative Intensity
53.03941	1.9
53.85857	1.3
55.01875	1.9
55.05504	13.3
57.03428	15.6
57.07071	3.2
67.05502	44.3
69.07066	11.3
70.14496	2.4
70.14834	1.6
71.04969	1.8
71.08628	48.5
72.08138	1.8
79.05492	28.9
80.94848	2.5
81.03410	5.1
81.07053	41.4
83.04975	10.6
83.08624	11.5
85.06528	2.5
91.05469	22.7
93.07043	45.1
94.07370	1.6
95.04974	11.3
95.08607	29.2
97.06528	10.2
97.10169	3.0
98.22825	2.3
99.08091	32.6
105.07011	15.8
107.04910	6.3
107.08592	25.6
109.06505	4.6
109.10152	11.4
111.08077	1.6
113.09617	2.1
117.06975	3.6
119.08582	15.0
121.06527	1.9
121.10137	21.1
123.11681	1.6
129.06909	1.4
131.08551	4.1
133.10107	8.3
135.11679	31.5
137.09587	3.8
141.09102	4.3
145.10130	3.7
147.11714	3.9
149.13255	9.5
151.11194	20.4
153.12747	2.0
159.11699	4.5
161.13277	9.6
163.11189	3.7
163.14774	2.9
167.10663	3.1
171.11682	2.4
173.13290	1.6
175.14761	2.4
177.12732	4.0
179.14304	100.0
180.14676	3.5
185.13210	2.1
221.15376	2.2
235.16861	6.3
241.19417	2.3
259.20547	5.1
277.21613	41.6
278.21930	2.6
333.24384	1.5
351.21957	2.0
351.25281	46.1
352.25760	2.0
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	(10)-Gingerol
Peak:m/z	Relative Intensity
58.70636	9.0
67.05480	14.8
69.07037	10.2
69.48656	30.0
69.49062	20.0
71.08627	27.7
80.94869	13.6
81.07053	20.9
93.07058	17.0
95.08560	15.1
98.23516	10.3
104.99261	14.4
105.07356	9.2
109.10135	9.1
123.04443	100.0
125.94939	10.3
133.10501	14.8
147.11765	11.9
149.05911	13.4
149.27823	9.9
151.07564	11.2
163.07567	26.2
277.25003	9.3
333.24356	57.6
334.23947	27.7
351.25543	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	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12447	2.2
53.03936	3.5
53.20431	2.6
53.51817	2.1
54.25861	2.1
55.05504	4.5
57.03440	8.8
59.04993	2.3
61.02904	2.9
67.05498	12.0
69.03430	49.7
69.06709	4.9
69.07069	59.3
69.47150	4.5
69.47540	4.1
70.06590	4.8
70.48769	2.4
71.05000	17.4
72.08156	4.8
72.54658	2.0
73.02908	2.7
81.03416	28.8
81.07092	4.1
83.08609	7.5
83.28942	2.8
85.02905	66.9
85.06553	5.7
87.00836	36.3
87.04455	2.8
88.71575	2.5
93.07033	3.2
95.04975	7.5
95.08654	3.6
97.02898	63.7
97.06551	4.5
99.04469	22.0
104.16335	2.0
105.01866	31.6
105.07056	2.2
105.10933	1.9
106.02050	2.2
106.02898	3.2
107.08567	3.6
109.02874	16.1
109.10171	23.8
111.08102	3.0
113.06016	7.1
114.10296	8.2
124.03981	3.5
127.03922	100.0
127.07556	5.2
127.11215	3.8
129.09135	14.7
137.09625	5.8
140.07098	3.4
145.04953	76.3
147.11650	2.9
149.44771	2.1
154.08655	3.0
155.07037	18.1
155.10657	34.4
165.09157	2.8
166.15926	2.4
173.08061	2.5
173.11752	49.9
173.13232	3.9
191.14291	5.4
213.03957	4.1
231.04994	63.2
249.06071	44.0
250.06940	2.5
309.21786	7.9
311.45593	2.2
314.52841	2.2
334.12653	3.6
341.26248	2.8
352.14209	3.4
353.24393	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	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
54.17285	2.2
55.01871	9.2
55.05523	2.9
57.03432	8.5
60.31952	1.9
60.37510	2.3
61.02924	6.9
61.03207	2.4
67.05506	4.0
69.03426	43.8
69.03801	2.9
69.06715	3.8
69.07071	64.0
70.52352	3.2
70.73154	1.9
71.04996	6.3
73.02921	7.2
81.03413	34.0
81.07047	8.0
85.02903	100.0
85.06538	5.8
86.09698	4.1
87.00826	51.3
91.03977	3.5
91.05471	4.2
93.07046	4.7
94.87125	2.5
95.08600	3.6
97.02895	57.7
97.06535	2.8
99.04456	17.1
103.03970	2.6
105.01862	76.2
105.02542	4.8
107.08599	2.6
108.04465	4.8
109.02869	23.1
109.04014	2.3
109.10178	2.8
111.08092	7.6
117.01850	3.3
127.03912	77.8
129.01860	3.9
131.08585	3.6
134.55809	2.3
137.09619	2.2
145.04953	49.0
147.02956	4.6
147.04272	2.1
147.08051	3.5
149.09618	4.0
153.09109	6.9
155.10696	5.0
159.02864	17.5
159.08049	2.7
177.09149	10.9
181.00676	2.6
189.03926	5.2
195.10156	15.5
231.04984	25.8
249.06075	13.7
267.10919	2.2
299.11353	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	352.1617
Annotation	trans-Zeatin riboside
Peak:m/z	Relative Intensity
50.67405	0.6
51.31618	0.6
51.66043	0.5
55.01867	1.3
57.03427	2.4
67.05499	1.1
69.03411	1.7
69.38313	1.0
69.38701	1.4
71.01331	0.8
71.04958	0.6
71.16833	0.5
73.02876	0.8
85.02894	1.9
85.29075	0.5
91.05487	0.7
95.08604	2.5
98.23477	1.1
109.10149	0.8
119.03558	1.0
136.06180	100.0
137.04626	1.2
137.06627	1.5
137.09578	1.2
139.03909	3.2
140.04237	2.6
148.06177	10.3
148.77563	0.5
151.23764	0.6
155.10669	3.1
155.65295	0.6
159.06737	0.9
173.11703	1.1
185.08170	4.0
202.10876	11.7
220.11922	94.8
221.12268	3.9
230.14282	0.8
242.81284	0.6
352.16138	48.6
353.12106	1.6
353.16333	4.4
357.70865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.0
56.05036	42.3
57.07065	2.6
58.06591	0.6
67.05499	2.5
69.07040	0.8
69.47008	2.0
72.08158	1.0
79.05478	0.7
81.07043	2.4
82.06583	1.7
84.04498	2.6
84.08142	32.7
85.02909	2.1
86.09720	4.6
87.47523	0.6
91.05470	0.7
95.08617	1.3
104.66874	0.6
105.07041	1.2
106.06571	2.9
109.10165	2.3
112.11243	0.7
127.08677	100.0
127.11203	2.5
128.09001	1.7
133.06508	0.9
137.09583	0.7
137.13242	1.3
141.06589	3.2
155.10718	0.8
155.11804	4.1
155.13098	0.9
155.14307	8.1
169.13365	45.7
170.13689	1.6
173.15369	3.1
178.09593	0.6
191.10675	1.7
220.04620	0.6
246.12379	35.2
247.12746	2.0
288.17062	86.8
289.17340	5.7
352.16711	2.7
353.15726	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	352.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27248	1.3
55.05527	1.9
63.16306	1.6
69.03403	2.2
69.07062	6.6
69.37157	6.3
71.05006	1.6
71.08635	49.0
81.07062	3.6
85.02903	3.1
94.65368	1.4
95.08619	1.4
98.97594	1.4
99.08097	100.0
100.08430	2.4
129.12750	16.3
150.49815	1.3
155.14276	1.9
159.67578	1.4
159.88092	1.4
168.93202	1.4
173.15376	45.4
249.11069	3.8
297.76944	1.5
352.24857	5.0
352.28915	1.6
353.12097	12.4
353.15750	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	352.2847
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.05298	0.2
55.05512	1.9
56.05028	1.9
57.07066	0.2
57.68744	0.2
57.83899	0.1
60.04526	0.2
62.06076	0.5
63.28646	0.1
67.05505	1.6
69.07068	3.2
69.26784	0.5
69.27197	0.2
71.04990	0.2
72.04495	0.1
74.06077	5.8
78.98354	0.2
79.05489	2.1
80.05004	0.1
81.07059	3.7
82.06596	0.3
83.08612	0.6
91.05495	0.9
93.07040	3.7
95.04985	0.3
95.08605	3.2
97.10134	0.4
98.22677	0.3
99.08084	0.4
100.07602	0.4
105.07035	1.9
107.08596	3.7
108.08099	0.2
109.06571	0.2
109.10137	0.9
110.09673	0.2
116.63795	0.2
117.06940	0.2
119.07729	0.3
119.08573	2.9
121.10153	1.8
122.09683	0.2
123.08124	0.2
123.11699	0.4
124.07614	0.6
124.11224	0.2
126.09131	0.3
128.10707	0.8
131.08495	0.2
133.10123	2.6
135.08028	0.3
135.11665	1.5
137.13271	0.6
138.09149	0.4
140.07043	0.3
142.12251	1.9
145.10130	0.4
147.11688	1.6
149.13258	1.4
150.09160	0.2
152.10710	0.9
154.12250	0.3
159.11729	0.2
161.13243	3.1
162.12717	0.9
163.14803	0.9
164.10689	0.2
166.12306	0.4
168.10179	0.2
168.13829	0.2
173.13249	0.3
175.14839	1.1
176.15137	0.2
178.12257	0.5
180.13841	0.7
182.11754	0.3
189.16304	0.3
200.12816	0.2
203.18060	0.2
205.19539	0.9
206.15401	11.4
207.15764	0.6
208.16969	3.8
209.17365	0.3
215.18134	0.2
217.19498	1.1
219.21095	0.2
222.18530	6.7
223.18860	0.4
224.16519	0.2
224.20071	1.1
231.20949	0.3
250.18062	0.5
282.20648	1.1
302.24789	0.2
320.25888	1.3
334.27170	0.7
352.28442	100.0
353.23383	0.4
353.28790	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	353.0633
Annotation	Daphnoretin
Peak:m/z	Relative Intensity
59.80866	6.1
59.81184	5.9
62.03583	5.3
64.03194	6.0
75.39329	5.6
75.79790	5.3
77.48193	5.2
85.02890	7.1
91.05513	9.9
91.15336	5.8
93.07038	5.7
95.08607	10.1
98.97614	7.1
118.25233	5.1
177.05450	5.6
207.52994	5.6
214.58345	6.3
221.99763	5.2
259.03561	5.9
353.06311	100.0
353.11935	16.4
353.15759	25.8
353.19965	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	353.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54723	0.9
55.31135	0.9
56.96540	1.2
69.74156	1.3
69.74474	2.1
76.65585	1.0
80.54423	1.0
85.02905	1.2
94.45127	1.1
98.23418	1.3
98.97570	3.4
113.06028	2.6
116.98631	1.5
125.94016	1.0
146.06029	3.4
163.01788	1.4
175.09624	1.1
185.04144	3.6
185.72652	1.1
188.07071	1.5
191.03223	2.8
192.06497	2.4
200.67235	1.1
207.06575	1.0
249.07646	1.6
286.43030	1.1
353.08313	100.0
353.12189	36.3
353.17569	3.4
354.08603	7.3
354.12268	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
63.28874	0.4
63.91700	0.4
69.99877	0.7
70.00205	0.6
84.77899	0.4
85.02864	0.5
108.71382	0.5
111.89935	0.4
146.06024	1.3
185.04225	6.2
188.06960	0.5
190.00835	0.5
190.02306	2.3
191.03152	4.7
192.06520	0.4
202.00420	0.4
238.60815	0.4
353.08426	100.0
354.08740	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	353.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11343	0.8
61.02927	1.1
65.35488	0.8
69.03429	0.9
69.64464	2.3
81.03418	0.9
85.02910	3.7
90.46628	0.9
97.02873	2.3
98.23334	1.9
99.26360	0.8
111.04436	1.0
113.06046	1.2
114.76766	1.0
115.05408	1.1
123.04274	0.8
128.05064	1.1
146.06010	45.0
147.04378	1.8
148.25732	0.9
160.07611	2.2
163.87569	0.9
170.06035	1.2
172.36874	0.9
173.76770	1.0
174.05487	12.6
177.05432	2.2
184.07721	0.9
185.04210	39.0
186.04501	1.4
188.07062	17.7
191.03178	6.3
192.06535	19.6
203.07033	2.2
207.06654	1.3
212.07059	2.8
216.06544	1.6
231.06543	2.5
234.07658	3.1
249.07538	5.1
293.15027	1.3
317.11066	1.1
335.12372	1.3
353.08423	100.0
354.08466	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50803	0.4
69.03413	0.8
71.43981	0.6
75.80610	0.4
81.07059	2.1
82.07324	0.5
82.07964	0.4
85.02872	1.6
85.45110	0.5
93.07043	0.5
95.08576	1.2
95.85759	0.4
101.91301	0.4
109.10136	0.7
113.09631	1.1
113.89056	0.5
115.98686	0.5
137.13234	1.7
138.13512	0.6
155.10632	0.7
157.99736	0.5
159.00534	21.3
160.00870	0.5
161.13588	0.5
185.04210	6.1
185.43236	0.4
191.03172	1.7
191.16460	0.6
194.48375	0.5
223.33089	0.5
321.05798	100.0
322.06155	6.6
353.08417	48.0
353.15698	3.1
354.08859	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	353.0846
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
50.93082	1.7
53.91240	1.6
56.96548	2.1
60.66301	1.7
69.29691	5.4
69.30097	3.8
122.91344	1.7
151.56084	1.8
159.24724	1.9
190.98642	2.7
232.99756	3.3
245.05060	2.0
353.08456	100.0
354.08929	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	353.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13004	0.3
56.77129	0.3
59.82832	0.3
65.03941	1.8
66.04720	0.3
69.22623	1.2
73.88749	0.3
77.03928	0.4
79.05499	1.8
86.56947	0.3
91.05476	53.7
92.05782	1.4
103.92396	0.3
107.00468	1.1
108.01268	6.3
134.55678	0.3
152.06104	0.3
154.07889	0.3
155.08530	0.3
183.03586	8.2
184.04315	1.9
185.05138	4.3
188.66211	0.3
193.37245	0.3
201.04646	0.3
202.05429	0.8
206.46199	0.3
219.05670	0.3
250.09052	0.3
261.08264	7.8
262.09027	11.0
263.09384	0.8
265.83035	0.3
293.07208	0.9
294.08020	5.6
353.14505	100.0
354.14804	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	353.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.3
68.48364	0.3
69.07073	0.4
69.19862	1.8
71.74778	0.3
72.56105	0.3
79.05508	0.3
81.07059	0.3
98.22714	0.6
99.23714	0.3
106.86553	0.3
124.39722	0.3
127.03907	0.7
139.03894	1.1
155.03368	0.8
163.03949	0.3
179.07043	0.4
185.04196	0.4
191.10622	1.3
196.39050	0.3
203.05244	2.6
217.88789	0.3
265.27518	0.3
317.17468	1.1
353.15686	100.0
354.16034	7.0
371.86829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77724	0.3
68.95725	0.4
69.26073	1.9
70.06578	1.1
70.99950	0.4
72.08134	0.5
83.05005	1.1
85.02898	1.8
90.01177	0.4
91.11860	0.4
98.22688	0.9
105.01879	0.9
105.07046	0.4
109.02892	0.5
114.10295	0.9
127.03910	1.1
135.01093	0.4
138.39268	0.4
145.04913	0.5
152.14276	0.4
175.10928	7.6
191.10526	0.5
201.03697	19.8
202.04126	0.5
203.05310	1.2
239.15875	0.4
251.66731	0.4
257.63586	0.4
353.15698	100.0
354.16013	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	353.157
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35396	2.4
65.54276	2.5
71.45042	3.8
75.95755	2.7
76.18883	2.8
81.58015	2.1
95.08600	2.5
137.55554	2.1
142.55956	2.2
185.04228	33.1
191.10451	9.7
198.54448	2.7
226.96332	2.5
280.33051	2.6
282.09338	2.6
353.11032	5.5
353.15692	100.0
353.19019	3.8
353.22968	7.6
354.16055	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	353.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.11723	2.0
102.35856	2.1
127.00057	5.2
128.29779	2.0
186.04196	2.2
208.41505	2.1
228.01973	2.4
233.14151	2.4
249.14702	14.5
279.31506	2.2
309.16675	6.8
335.23102	3.7
353.11984	6.9
353.15741	100.0
353.23636	7.3
354.16071	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	353.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46265	0.3
57.03903	0.4
69.69931	0.7
69.70258	0.5
80.66682	0.3
85.02901	0.8
105.01891	0.6
121.75471	0.4
127.03925	0.5
165.59856	0.4
201.03667	1.7
282.10861	0.9
283.11517	1.2
353.15704	100.0
354.16019	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	353.17
Annotation	Ile-lle-OH
Peak:m/z	Relative Intensity
55.05517	0.4
57.07066	0.6
58.12930	0.4
65.90170	0.4
67.05527	0.5
69.07015	0.5
69.71093	1.6
73.48192	0.4
75.69244	0.4
95.08627	0.6
115.08665	0.9
123.04434	0.6
131.29399	0.5
141.05424	0.7
149.78955	0.5
158.74980	0.4
160.28186	0.4
169.04958	2.4
196.98224	3.6
309.20599	1.1
353.17001	100.0
354.17404	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78511	0.4
55.05505	0.6
55.94013	0.5
69.34154	2.1
90.06194	0.4
93.32361	0.4
98.97548	0.8
110.85459	0.4
146.06776	0.5
208.04195	0.5
295.60025	0.5
353.22968	100.0
354.23264	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	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65277	0.9
77.32478	0.9
90.40540	0.9
109.08651	1.0
157.79279	0.9
165.07005	1.2
169.75522	0.9
194.07320	2.0
222.06819	1.1
237.09047	3.1
239.06668	1.1
265.08493	2.2
267.06604	1.1
282.08951	1.3
293.08072	2.0
313.15823	0.9
325.10959	1.3
353.10074	11.1
353.22961	100.0
354.10461	2.0
354.23334	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	353.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80883	0.5
55.02991	0.7
55.05510	0.9
58.97985	0.5
67.05491	0.8
69.03447	0.9
69.07068	1.2
69.25768	0.6
70.06593	24.3
71.06905	0.5
72.05613	0.7
72.08157	21.9
79.05505	0.5
80.04985	0.5
81.04550	1.1
81.07052	2.4
82.06582	0.5
83.74368	0.5
95.08613	2.2
97.02856	0.6
97.06624	0.6
97.07652	12.5
97.08283	0.6
98.09691	1.7
107.08588	0.9
108.08089	0.7
109.10202	0.6
111.11717	1.0
112.08727	12.8
112.09451	1.1
114.10291	100.0
115.09911	0.7
115.10630	1.7
122.07150	2.7
123.07939	4.6
134.09694	1.4
137.13261	1.7
139.03874	4.7
140.04237	2.4
140.06337	0.5
141.04416	2.2
152.14330	5.4
155.14291	1.3
156.11166	0.7
157.12231	1.7
173.15445	1.0
174.12741	0.6
178.57446	0.5
198.18527	2.5
206.19046	2.8
211.19153	6.0
232.20549	3.4
249.23232	1.0
250.21692	0.7
258.19720	0.6
265.23868	31.9
266.24200	1.9
274.22729	1.0
291.25360	4.3
293.16159	1.2
309.26443	7.8
335.10095	0.7
348.50220	0.6
353.12762	4.2
353.16855	1.1
353.24670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.88157	1.8
53.41223	1.6
55.05508	22.1
57.03445	10.0
57.07078	17.0
65.03961	2.8
67.05505	95.6
69.07065	24.3
69.71057	7.0
71.08628	34.0
72.08152	4.0
79.03633	1.7
79.05040	3.8
79.05493	47.5
81.07056	100.0
83.04977	2.2
83.08642	12.3
85.06532	3.6
87.04475	11.7
88.07629	2.2
89.06042	3.8
91.05482	23.6
93.07044	61.8
95.04928	4.6
95.08606	85.6
96.10456	1.8
97.06515	1.8
97.10181	6.2
97.39584	1.6
98.97585	1.9
99.08096	26.1
105.07031	22.5
107.07927	3.4
107.08593	45.1
109.06459	1.8
109.10160	38.6
111.08073	4.4
111.11779	2.5
112.69436	1.7
113.09643	2.0
116.93183	1.6
117.07048	8.9
119.08585	18.8
121.06480	4.2
121.10150	31.9
123.11710	20.6
125.09611	3.4
130.58969	1.7
131.08574	22.1
133.10114	11.5
135.08057	3.0
135.11696	28.2
137.13255	7.4
145.10095	13.1
147.08073	6.1
147.11685	20.1
149.09639	3.6
149.13251	16.4
151.11118	2.6
151.14760	2.4
153.12674	2.9
159.11703	14.9
161.09584	3.1
161.13283	9.8
163.11183	2.6
163.14830	14.5
165.12730	5.9
173.13252	12.2
173.71626	2.1
175.14755	3.2
177.12694	2.2
177.16423	4.1
179.14282	2.9
187.14821	9.9
201.16435	2.2
207.10175	5.0
233.22606	5.1
235.13283	3.4
243.21114	22.6
244.21298	2.4
253.14311	3.2
261.22134	86.7
262.22498	6.7
279.23199	16.6
280.23401	2.2
335.25781	7.4
337.23703	3.7
353.22568	3.4
353.26859	54.0
354.26932	5.7
354.33615	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01876	0.6
55.05509	13.4
57.03433	3.2
57.07077	5.1
59.04998	0.5
60.24979	0.5
65.03941	1.5
67.05502	84.6
68.05829	1.4
69.07069	11.7
71.04977	2.2
71.08638	1.5
71.43389	0.5
75.04469	1.5
75.98102	0.5
77.03898	1.0
79.05491	44.7
80.05826	1.0
81.07053	93.0
82.07384	2.5
83.04987	1.4
83.08616	7.2
85.06519	2.4
85.10171	0.6
91.05477	22.6
92.05812	1.0
93.07042	63.9
94.07381	1.5
94.72324	0.5
95.04968	4.3
95.08603	71.6
96.08932	2.4
97.06506	3.1
97.10162	3.3
98.97581	0.7
99.08110	2.5
102.94381	0.5
105.04511	1.5
105.07025	18.9
105.07741	1.1
106.07410	0.6
107.08591	39.4
108.08946	1.2
109.06541	1.5
109.10152	35.5
110.10447	1.0
111.08077	1.6
111.11707	0.6
113.09647	1.7
117.07019	10.2
118.07323	0.7
119.08582	15.5
120.08880	0.6
121.10139	35.4
122.10473	1.2
123.08074	1.3
123.11700	20.0
124.12092	0.6
125.09669	1.2
129.06995	0.9
131.08562	21.5
131.31985	0.5
132.08990	0.5
133.09187	0.8
133.10135	13.2
134.10434	1.3
135.11685	26.7
136.11983	0.6
137.09607	1.8
137.13263	7.2
139.11154	1.1
145.10124	17.0
147.11678	10.4
149.13252	20.2
150.13580	1.1
151.11162	1.5
151.14804	2.5
153.12733	1.6
159.11684	13.6
160.12062	0.8
161.13255	10.2
163.11151	1.4
163.14807	12.2
164.15160	0.6
165.12717	2.4
165.16422	0.9
167.14250	0.6
173.13248	17.0
175.14861	3.5
177.12785	1.5
177.16370	5.0
179.14314	1.4
187.14815	8.7
189.16347	0.9
191.14307	1.4
201.16368	2.8
205.15903	1.5
215.17978	1.4
217.19572	0.6
219.17410	1.8
226.59489	0.5
233.19043	0.5
233.22632	4.4
243.18585	1.1
243.21086	22.8
244.21436	1.8
250.82512	0.6
261.22122	100.0
262.22464	10.0
263.23764	1.1
279.23193	3.7
317.24811	0.9
335.25793	8.3
336.26102	0.8
353.23059	2.8
353.26849	33.6
354.27316	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.6
56.26513	2.4
56.52170	2.6
57.07053	2.9
63.58962	2.9
65.03934	3.2
67.05506	52.1
68.65887	2.6
69.07062	10.8
70.06584	9.2
71.13612	2.8
73.65186	2.5
78.16528	2.9
79.05492	35.8
81.06570	3.6
81.07055	60.9
83.08610	4.8
85.01637	2.5
85.06522	4.0
88.07632	15.3
91.05479	18.0
93.07055	43.1
93.84878	3.1
95.04973	4.9
95.08603	46.3
96.08876	3.1
97.06494	2.7
98.97591	3.6
99.08093	3.3
102.09171	3.5
105.07021	13.5
106.08656	8.7
107.08576	26.2
109.10164	17.9
117.07042	3.2
119.08560	8.9
121.10132	21.1
123.11687	9.4
131.08586	13.0
133.10139	5.6
135.11710	13.9
137.13280	2.7
145.10130	9.1
147.11693	6.6
149.13255	14.7
159.11710	7.2
161.13242	5.0
163.14821	10.4
173.13261	10.9
187.14758	6.6
233.22624	5.1
239.09081	5.8
243.21165	13.7
261.22159	54.5
262.22461	3.5
283.27487	3.1
336.32568	5.9
353.26688	4.6
354.33658	100.0
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
51.15604	2.3
55.05515	21.4
57.03438	4.8
57.07072	9.7
67.05161	5.2
67.05504	78.7
67.27172	2.5
68.61903	2.6
69.07079	21.6
69.08709	13.4
69.09109	4.1
71.08636	25.7
72.04504	5.2
72.08157	28.2
73.08496	3.4
79.05492	42.0
80.94862	3.0
81.07060	99.2
83.08618	9.4
85.06516	3.5
91.05477	20.6
93.07041	64.1
95.04952	4.3
95.08609	74.0
96.08974	3.7
97.06529	7.1
98.23516	6.0
98.97585	4.1
99.08100	16.1
99.55950	2.5
101.09467	2.5
105.07047	19.0
107.08582	38.7
109.06526	8.1
109.10165	35.1
111.08109	4.7
117.07011	9.4
119.08588	12.7
121.10140	36.3
123.11687	22.8
131.08559	19.3
131.57692	2.6
133.10147	14.2
135.11700	24.8
137.09613	2.5
137.13251	7.1
145.10103	17.2
147.11690	8.7
149.13269	21.0
159.11685	10.2
161.13242	10.6
161.90073	2.5
163.14822	10.2
165.12753	9.7
173.13269	11.2
175.14882	6.6
177.16399	7.0
187.14825	8.0
233.22609	4.5
238.21678	4.5
243.21033	18.5
261.22144	88.6
262.22549	7.5
279.23251	5.1
291.23160	29.7
309.24219	6.0
335.25882	6.0
336.28995	47.5
336.32596	6.7
353.26843	100.0
353.32156	9.7
353.35736	7.7
354.27182	8.9
354.33575	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
52.81280	3.2
55.05508	10.5
57.03439	9.8
57.07063	3.8
63.76190	3.8
67.05157	7.1
67.05500	97.7
69.07066	12.4
71.04987	4.6
79.05486	48.9
81.06570	4.8
81.07050	100.0
83.08632	8.4
85.06527	4.4
91.05466	16.8
93.07042	53.9
95.08604	77.1
97.10175	5.3
99.08083	4.2
105.07021	18.2
107.08592	31.3
109.10143	34.0
110.28023	3.5
117.07041	8.1
119.08587	15.5
121.10133	33.3
123.11699	25.1
131.08556	18.7
133.10143	12.7
135.11694	30.1
137.13251	9.0
145.10156	18.2
145.66292	3.4
147.11688	11.9
149.13257	14.2
155.17690	4.0
159.11665	18.2
161.13283	6.9
161.36676	3.7
163.14839	9.6
173.13261	12.4
177.16383	5.6
187.14868	9.4
193.07668	3.4
243.18977	3.6
243.20923	21.7
261.22104	96.7
262.22577	6.2
279.23148	6.6
335.25739	22.6
336.22507	16.4
351.26288	3.2
353.26770	30.0
354.26205	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.85768	1.4
53.43167	1.2
53.49250	1.2
53.82085	1.2
55.05508	16.4
57.03437	6.8
57.07080	4.3
58.58524	1.3
65.03945	3.4
67.05502	90.2
69.07066	17.4
69.16224	7.1
70.06576	1.8
71.04987	2.8
71.08645	3.4
72.08150	36.6
75.66051	1.3
77.03919	2.0
79.05489	41.9
81.07053	100.0
83.04966	2.0
83.08611	9.9
85.06541	3.1
91.05477	19.3
93.07042	51.6
94.07339	1.3
95.04952	3.6
95.08604	75.0
96.08926	2.1
97.06533	5.1
97.10176	4.8
98.22769	3.9
98.23483	3.7
98.97606	1.4
99.08138	1.9
105.07034	11.9
106.08654	1.4
107.08588	36.5
109.06525	2.4
109.10153	37.8
109.10891	2.5
111.08075	2.2
117.07030	8.0
119.08576	12.6
121.10137	30.5
123.11704	22.9
123.12527	2.0
130.07852	1.2
131.08551	16.4
132.08945	1.4
133.10112	14.5
135.11694	25.8
137.13235	6.8
145.10130	12.0
146.23953	1.3
147.11673	8.4
149.09625	1.4
149.13223	17.4
151.14801	2.9
159.11691	13.7
161.13248	8.2
163.14842	13.1
165.12759	2.3
173.13272	14.6
174.13724	1.4
175.14813	3.3
177.16391	4.5
179.14420	1.9
186.70506	1.5
187.14815	7.3
201.16423	2.1
233.22751	3.5
243.21065	20.8
244.21426	1.8
261.22122	97.0
262.22458	7.1
263.23752	1.8
279.23141	7.4
291.23245	2.3
317.24600	1.7
335.25677	14.1
336.26199	1.9
336.32602	17.2
353.26877	36.2
353.31912	2.5
353.35327	33.3
354.27216	3.9
354.33289	9.8
369.06787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.5
57.03423	3.6
57.07078	6.6
62.34605	1.9
65.03953	4.9
65.33090	2.3
67.05505	100.0
69.07056	15.8
69.53899	4.9
69.54285	5.0
71.04993	3.3
71.08625	3.1
75.04522	3.2
79.05493	51.0
81.07054	97.7
82.07406	3.1
83.08638	11.4
83.64413	2.2
85.06544	2.7
91.05478	23.1
93.07047	62.0
93.07610	4.4
94.07400	3.3
95.04987	5.7
95.08607	77.3
96.36148	2.0
97.06533	3.1
97.10190	3.5
98.23447	4.1
98.97576	2.8
99.08107	5.3
105.07018	18.8
107.08589	41.0
109.06566	2.2
109.10167	32.4
117.07007	13.5
118.48545	1.9
118.92701	2.2
119.08580	14.3
121.10139	33.4
123.11722	13.4
123.42416	2.1
131.08580	25.4
133.10100	11.6
135.11685	29.8
137.13293	7.4
145.10106	13.4
147.11647	12.4
149.13258	16.1
151.14798	4.1
154.08820	2.3
159.11739	12.0
161.13271	9.4
163.14793	10.9
173.13239	15.8
177.16367	4.1
179.14391	3.7
187.14822	12.2
191.14372	4.5
201.16461	3.4
233.22708	7.0
243.21085	27.5
244.21590	3.4
261.22125	79.5
262.22537	5.6
319.22681	4.1
335.25696	11.6
353.26834	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	354.1184
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
57.03440	0.7
69.03419	1.2
69.48320	1.0
71.04996	0.5
76.42503	0.5
81.03448	0.5
85.02907	4.5
97.02896	3.4
98.22738	0.9
103.03946	0.9
103.32748	0.5
109.02858	0.8
113.05991	1.4
118.06544	1.6
127.03925	0.8
128.04977	2.1
130.06532	1.6
131.07051	0.5
132.04442	1.9
132.08096	1.1
133.84494	0.6
145.05215	1.1
146.06009	100.0
147.06346	3.1
157.08664	0.8
158.06006	0.9
159.06790	0.9
160.07573	3.0
168.08080	0.8
170.06032	3.6
174.05516	26.6
175.05847	1.5
184.07570	2.3
188.07074	42.5
189.07365	2.5
192.06558	46.3
193.06934	2.2
196.07591	2.6
198.09210	0.5
204.06557	0.5
212.07040	5.7
216.06575	5.5
224.07028	1.3
234.07625	6.7
235.07986	0.5
240.06589	1.3
254.08234	1.2
258.07608	1.7
270.07578	2.7
300.08582	0.7
355.13629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.97334	0.5
57.03431	0.6
61.02905	0.6
69.03419	1.1
70.36533	0.8
73.02961	0.5
81.03429	0.8
85.02906	5.7
92.72737	0.5
96.58353	0.5
97.02888	4.5
99.04434	0.5
103.03929	1.1
109.02923	1.3
117.05798	0.6
118.06534	2.8
127.03923	0.8
128.04987	2.6
130.06506	3.0
132.04469	1.7
132.08115	1.8
142.06590	0.8
145.05190	1.5
146.06009	100.0
147.06371	3.6
156.08086	0.7
158.05986	1.4
159.06790	1.8
160.07584	6.0
168.08142	1.0
170.06003	4.3
174.05527	25.1
175.05742	1.1
176.07127	0.7
184.07617	3.5
188.07068	62.1
189.07426	3.4
192.06558	48.8
193.06863	3.0
196.07584	3.3
198.09113	0.8
204.06573	1.4
204.24455	0.5
205.26279	0.6
212.07054	9.3
215.06987	0.9
216.06554	8.6
217.06973	0.6
224.07118	1.3
234.07622	14.9
235.07912	0.7
240.06570	2.0
242.08211	1.7
254.08124	3.0
258.07684	4.3
270.07599	6.1
272.09283	0.6
282.07599	1.2
288.08862	0.6
300.08701	2.1
307.85022	0.5
354.07645	0.8
354.11865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
56.39875	0.5
56.85974	0.5
61.02922	1.0
65.36552	0.5
69.03423	2.3
69.07061	1.2
69.58326	1.5
69.58714	0.9
71.04958	0.5
73.02911	0.6
81.03436	1.2
85.02910	6.4
88.31854	0.5
91.05506	1.3
95.04961	0.6
97.02888	7.5
97.04869	0.5
103.03944	1.4
104.85753	0.5
106.06620	0.5
109.02891	2.2
111.08057	1.2
115.07558	1.8
118.06537	3.7
122.06062	1.2
124.85755	0.5
127.03922	1.7
128.04991	1.7
129.09114	0.9
130.06564	3.3
132.04442	1.0
132.08090	2.6
137.02348	0.6
139.07475	0.7
144.08119	0.5
145.05161	2.4
146.06007	100.0
147.06345	3.4
156.08104	0.6
157.08598	2.0
158.06033	1.2
159.06749	1.5
160.07561	4.5
160.56091	0.5
163.03882	0.8
164.07048	2.3
170.06026	4.2
174.05510	58.2
175.05865	3.2
175.09641	1.3
176.07004	0.7
184.07620	3.7
186.05513	0.9
188.07071	53.3
189.07443	2.9
192.06552	59.2
193.07043	2.5
193.08511	1.0
196.07558	2.8
196.16966	1.2
197.17340	1.4
204.06590	1.6
205.04988	0.8
212.07065	8.0
213.07330	1.0
216.06540	7.7
224.07098	1.4
226.08630	0.7
234.07602	11.6
235.06050	0.8
240.06505	2.1
242.08168	1.0
254.08127	2.0
255.08429	0.7
256.94839	0.5
258.07596	4.4
259.05988	0.7
270.07626	5.3
282.07648	1.6
289.07205	1.0
300.08685	1.6
336.10559	1.0
354.11865	17.3
354.16147	1.0
355.13467	3.2
355.18320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	2.1
60.05635	2.5
69.03448	2.0
69.77010	4.5
70.06596	9.8
77.24241	2.0
77.30949	1.8
84.04501	3.2
84.08139	55.1
85.02898	4.4
85.04025	4.3
99.22610	1.7
112.14606	2.0
113.03464	1.8
116.07069	18.4
130.08636	100.0
131.04529	9.1
145.06018	2.1
150.92073	1.8
153.06558	2.0
155.08189	5.2
181.06073	5.5
193.02823	3.6
256.09183	2.5
322.06815	2.4
350.10956	2.2
354.08408	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	354.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25425	1.5
56.97018	1.4
67.05489	2.8
79.05497	1.5
89.68398	1.4
91.11521	1.4
94.06567	7.2
95.08709	1.4
108.08077	2.1
118.06561	3.3
122.06037	12.9
124.07601	5.5
130.06534	95.2
131.06886	2.2
131.17514	1.5
132.08069	3.3
134.06007	41.6
135.09177	3.0
136.07555	12.8
139.85762	1.5
140.07069	2.7
144.08124	1.9
146.05994	6.8
148.06136	1.5
149.07106	4.4
150.05504	100.0
151.05811	2.6
152.07068	84.2
153.07439	3.1
154.06587	1.9
154.08658	3.5
157.07596	5.3
157.12402	1.9
158.08382	7.0
159.09195	14.4
161.05922	2.3
161.07074	5.8
162.07872	4.5
163.08672	44.7
164.06969	1.8
164.09113	2.8
169.07660	2.4
175.08661	2.2
179.08215	3.6
180.08127	2.7
181.09778	9.9
188.07094	4.1
193.08578	1.6
205.09636	4.1
207.07745	14.3
219.07596	3.4
221.10815	3.6
225.06573	3.0
225.08696	41.4
226.09081	2.3
232.09944	1.8
237.08736	4.0
247.12332	1.9
248.09433	2.7
249.10210	23.3
250.10524	2.9
263.11823	11.8
267.11252	17.6
275.11795	31.4
279.11264	10.4
280.11960	3.7
281.12845	65.0
282.13315	3.5
292.14444	25.1
293.12738	25.9
310.15485	42.9
311.15704	4.4
354.10175	3.5
354.14453	55.1
355.14108	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	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
57.03423	3.4
61.02923	0.5
67.05508	1.4
67.50876	0.4
69.03416	0.7
69.07055	0.5
69.99397	1.1
71.04992	6.3
71.15544	0.3
73.02907	4.4
79.05479	0.4
81.03406	0.8
85.02901	4.3
85.06532	4.7
87.04417	0.4
93.07038	1.2
95.04961	4.1
95.08545	0.5
97.02888	1.6
97.06522	1.0
101.02374	17.4
109.02857	0.8
111.08073	2.1
113.05998	100.0
114.06315	2.2
115.07558	0.5
127.03906	0.7
130.06537	0.5
131.07031	36.9
132.04498	0.4
132.07361	0.5
139.07547	4.8
145.05003	0.6
146.06000	29.4
147.06331	1.2
154.05009	0.5
157.08591	10.0
160.07596	0.9
169.95209	0.4
170.06055	0.8
174.05484	7.8
175.05843	0.4
175.09651	8.7
175.11108	0.7
184.07596	1.1
188.07053	14.0
188.08691	0.9
189.07347	1.1
192.06525	13.7
193.04895	0.7
193.06818	0.8
196.07455	0.4
204.82597	0.4
212.07077	1.5
216.06563	1.6
234.07588	2.3
258.07642	0.7
270.07510	0.9
355.10028	0.8
355.13748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
54.34331	1.4
55.01868	5.9
55.05516	3.5
57.03434	6.4
59.04618	1.4
61.02919	5.6
69.03433	35.4
69.07071	18.4
69.59264	4.8
71.04981	4.3
73.02930	4.8
73.06551	1.8
81.03416	19.4
81.07046	4.1
85.02904	100.0
86.03239	2.1
87.00833	48.0
91.05508	1.3
93.07053	2.4
97.02898	27.8
97.06533	2.1
97.10174	3.6
99.04443	12.8
105.01865	76.5
105.07062	2.4
107.08582	2.1
108.04521	2.0
109.02877	28.4
109.10175	1.5
111.11757	1.8
114.10320	1.9
115.03938	1.6
115.07554	7.9
119.07858	1.3
119.08615	5.9
121.10185	2.4
127.03914	65.8
129.01807	2.6
129.09161	2.2
133.10156	3.8
135.08170	1.4
135.11740	2.0
139.11201	5.5
143.07031	12.5
145.04958	31.7
146.05391	2.1
147.02823	1.8
152.14412	1.4
157.08549	8.7
157.12244	12.0
159.02905	9.0
175.09673	5.7
175.13322	1.6
175.14859	4.2
177.04250	4.0
189.03941	2.6
192.06561	14.9
193.08363	20.5
193.15906	2.5
200.03981	1.5
201.03760	3.8
209.11554	1.4
213.03952	3.9
231.04961	18.5
243.04926	1.6
249.06038	4.8
300.60077	1.5
354.15976	9.6
355.13541	13.7
355.17282	29.9
355.21567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01869	3.9
55.05511	1.8
57.03428	7.2
58.54963	1.3
60.30146	1.2
61.02929	5.0
61.55381	1.6
68.94724	1.4
68.99786	1.3
69.03431	32.7
69.07071	13.0
69.30817	4.6
70.03754	2.2
70.07401	2.8
71.04987	4.5
71.08634	6.7
72.08126	1.2
73.02922	5.7
74.08595	1.2
81.03413	14.2
81.07062	2.0
82.03706	1.6
85.02905	89.3
85.06539	1.8
86.03241	5.4
87.00829	49.2
87.03313	2.2
95.08627	1.6
97.02896	39.2
98.03289	2.2
99.03321	1.5
99.04462	8.9
103.03915	1.5
105.01867	100.0
106.02219	2.8
107.02297	5.4
108.04456	2.1
109.02877	18.0
109.10300	1.6
114.10216	1.8
117.01848	1.8
119.08573	1.5
121.40762	1.2
125.05980	1.7
127.03915	66.8
128.04276	3.6
129.01854	2.2
129.04388	3.2
132.35081	1.3
145.04951	39.6
146.05315	4.0
147.02895	2.7
147.05479	2.7
152.14365	1.4
156.14661	1.7
159.02898	7.6
168.06799	1.7
177.05675	1.2
189.03955	2.7
212.48238	1.4
213.04004	2.5
231.04974	25.2
231.07053	2.1
232.05179	1.6
233.05412	3.0
249.06035	25.1
250.06067	1.5
251.06534	2.4
270.12872	1.4
273.11670	2.3
355.13751	3.6
355.19342	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	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59950	6.7
60.76534	5.8
65.85327	5.7
66.92979	5.8
83.08567	6.6
103.07516	5.6
123.04488	14.0
133.10178	6.1
137.06059	7.2
141.05466	16.8
146.46628	5.5
169.04977	76.3
214.63647	6.3
309.20456	54.2
354.17325	100.0
354.40866	10.3
355.28195	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.7
57.03416	0.8
63.90289	0.6
63.95565	0.7
65.03922	0.7
67.05507	11.2
68.27170	0.6
69.07066	5.7
69.63821	1.4
69.64215	1.5
70.06592	12.3
71.08617	0.7
77.15013	0.6
77.15474	0.8
79.05488	3.2
81.07058	9.8
83.08602	1.6
83.96907	0.6
85.75210	0.7
88.07629	15.0
90.08262	0.6
91.05523	1.1
93.07049	2.2
95.08602	6.1
98.23506	0.8
98.97583	2.0
102.09163	4.0
105.06989	0.8
106.08661	8.6
107.08584	1.0
109.10151	2.7
116.79037	0.6
116.98569	1.0
119.08537	1.1
123.11643	0.8
133.10118	1.0
135.11725	0.8
177.69939	0.7
180.20091	0.7
198.98848	1.0
232.35841	0.7
290.94858	1.4
318.51797	0.8
336.16281	4.4
336.28888	1.1
336.32611	4.9
354.17249	5.8
354.26367	2.9
354.33652	100.0
355.18472	2.3
355.33823	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	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74575	0.4
52.47325	0.4
55.01867	0.8
55.05507	1.7
57.07069	1.1
61.23940	0.4
63.69757	0.4
66.19051	0.4
66.90540	0.4
67.05502	1.3
69.07084	0.9
69.40110	1.9
70.06588	0.5
72.04527	1.4
74.06089	1.1
79.05506	1.3
81.07065	2.0
82.06583	1.0
83.08627	0.9
84.04505	1.2
87.65803	0.4
88.07620	0.6
91.05470	0.5
93.07040	1.6
94.06570	1.4
95.04972	0.4
95.08603	1.6
96.08115	0.5
97.06562	0.4
100.07615	0.8
100.11251	1.1
105.07029	0.9
107.08580	1.1
108.08118	1.2
109.10154	1.4
112.07633	1.1
119.08626	0.7
121.10111	0.9
122.09680	1.6
124.07606	5.7
133.10193	0.7
135.11739	0.5
136.11249	2.2
138.09171	1.9
139.09918	1.8
140.10713	1.0
142.12210	2.0
150.12804	0.6
152.10699	4.0
153.11455	0.7
154.12267	2.5
156.13835	2.8
166.12274	6.1
167.13112	0.5
168.13818	0.9
171.12167	0.4
182.15363	0.5
184.13295	2.1
236.16501	0.9
242.17451	0.5
246.10249	0.4
246.18454	0.5
250.18031	1.2
261.27673	0.5
264.19601	1.9
266.17603	2.1
280.19019	2.5
281.18695	1.5
292.22720	0.9
308.22183	2.5
310.23755	100.0
311.24139	7.4
312.25400	1.0
354.26379	84.2
355.16745	0.6
355.26703	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	354.2793
Annotation	trans-Cyclosuffrobuxinine
Peak:m/z	Relative Intensity
51.98975	1.1
55.05520	2.3
63.60035	1.1
67.05505	7.0
69.03406	1.6
69.07065	3.0
69.10202	8.7
79.05498	9.8
81.07053	8.5
84.82668	1.2
89.57622	1.1
91.05481	15.1
92.72289	1.1
93.07040	12.9
95.04980	2.5
95.08613	19.4
97.29688	1.3
98.97610	1.7
105.07036	27.5
107.04977	1.3
107.08595	16.6
109.06536	2.1
109.10179	6.1
115.05474	1.9
117.07012	6.8
119.08585	24.0
120.08923	1.8
121.10136	9.3
123.08029	3.1
123.11679	1.6
125.09644	2.1
129.07014	2.9
130.07814	1.4
131.08585	11.6
133.10135	8.1
135.08060	26.8
135.11688	4.6
136.11241	1.2
137.09604	6.9
137.13277	1.5
143.08556	4.7
145.10156	13.1
147.11691	5.5
149.09631	6.6
149.13335	1.6
151.11188	5.0
155.08543	2.6
157.10114	4.9
159.11729	6.5
161.09662	2.6
161.13286	4.4
163.11133	2.6
163.14880	1.4
169.10162	2.1
172.05193	1.2
173.13246	6.6
175.11163	2.4
175.14821	10.3
177.12741	1.8
177.16434	1.5
181.10100	1.8
183.11630	2.1
185.13251	3.5
187.14883	6.1
189.16383	1.6
195.11958	1.5
199.14796	3.0
211.14732	1.7
229.15944	2.7
239.14253	1.6
305.22748	3.4
323.23660	13.5
325.25269	5.3
354.27927	100.0
355.12112	2.0
355.17200	2.1
355.28226	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	354.9416
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93506	30.2
69.93871	32.8
98.22838	29.9
98.97565	19.6
114.89308	15.5
137.79797	16.8
196.86868	55.0
212.84230	100.0
225.88469	15.0
313.05954	25.2
331.06888	24.5
372.69113	15.1
373.08710	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	4.7
58.30814	1.5
69.03431	2.0
70.06607	2.5
81.03423	2.5
82.99865	1.8
83.97685	2.0
85.02908	3.9
97.02913	6.3
98.97607	7.7
101.00880	35.7
109.02893	3.5
113.00909	6.3
113.38264	1.5
115.02480	2.6
116.98631	3.5
119.01923	55.9
120.02034	4.0
123.28654	1.5
127.02467	5.4
130.09773	2.1
131.01915	21.1
137.03038	5.9
137.23311	1.5
140.09361	2.0
141.03346	2.3
143.01915	23.6
145.03465	15.5
147.04427	2.7
149.02966	1.8
153.01869	2.5
155.01886	15.2
156.96645	3.8
157.03477	9.0
158.06729	2.4
159.01471	2.2
161.02956	60.2
162.03123	2.7
166.02942	1.9
167.01950	4.2
169.03502	2.1
170.06068	3.3
171.04501	5.3
171.15996	1.5
173.02977	19.6
173.04216	1.6
174.03104	1.5
174.97664	14.6
175.11998	1.6
179.02003	3.4
185.02916	23.5
185.04167	2.9
187.04648	5.1
188.07097	2.2
189.05531	5.1
192.04047	6.2
192.98833	6.2
193.04791	3.1
197.02948	25.0
198.98849	2.4
203.04080	12.7
211.01009	7.1
213.06502	1.7
215.04070	5.2
216.98888	5.0
219.00253	2.1
219.02075	1.9
221.05150	4.0
223.04590	3.8
224.00798	2.8
227.04150	3.6
235.00871	2.7
235.04401	17.6
241.03423	2.3
242.01900	9.5
245.05106	29.8
246.05309	3.4
247.04614	4.4
253.02034	4.9
253.05695	10.8
259.04514	2.1
263.06277	6.4
265.05524	1.6
268.04791	1.8
271.04767	3.9
278.03125	6.4
283.06934	3.4
287.04269	2.5
289.05780	3.2
295.06067	5.1
296.04266	6.6
301.07849	3.1
312.07690	1.8
313.05725	14.9
313.08069	16.2
313.93622	1.7
314.04770	21.7
314.08450	4.4
315.05457	2.3
331.07007	21.4
332.06622	5.0
337.06705	2.5
350.33807	1.6
355.09201	100.0
356.09503	11.4
373.08987	28.5
374.09229	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	355.1
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95957	0.4
67.75159	0.4
70.51272	0.7
93.89378	0.4
97.16296	0.3
98.23328	0.4
116.58051	0.4
164.07156	0.6
177.01663	1.4
182.08250	0.4
185.04176	1.8
192.03928	11.0
193.04729	5.4
221.17238	0.4
302.27185	0.4
324.08185	1.9
325.08841	1.0
355.09991	100.0
356.10284	5.8
377.21411	0.4
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	Isobiflorin
Peak:m/z	Relative Intensity
57.03442	1.0
61.02937	0.8
68.99792	0.5
69.07043	0.8
69.56863	1.1
69.57243	2.0
73.02906	0.6
74.02414	1.0
79.01852	2.5
81.03396	1.1
85.02887	1.9
86.09710	4.2
91.05459	1.3
93.03346	0.9
97.02908	0.8
109.02873	1.1
124.52325	0.6
130.08614	2.2
132.10207	4.5
133.06366	0.6
135.04366	0.6
147.08115	0.7
149.05972	2.5
151.03966	0.7
163.03900	1.5
165.01805	1.3
165.05450	4.5
174.70738	0.6
175.07513	0.9
175.79732	0.6
176.09174	1.0
177.05446	3.1
177.59187	0.5
178.06267	4.8
181.04953	3.8
187.03836	1.2
189.05406	2.3
192.03996	0.7
193.04959	5.1
193.08627	2.5
199.03877	0.7
203.07057	0.9
205.04959	82.8
206.05721	41.2
207.06453	2.9
211.05960	1.6
217.04961	15.4
219.06517	15.3
220.06784	1.4
227.06880	0.7
229.04909	1.8
230.05806	5.1
231.06538	9.0
233.04445	5.7
233.07977	0.8
235.06003	100.0
236.06425	5.1
243.02863	2.9
243.06508	1.6
244.07179	0.7
245.04413	1.6
245.08093	21.3
246.08556	1.1
247.06041	6.2
248.06436	0.7
249.07602	2.7
255.06445	1.4
259.06027	25.4
260.06335	1.4
261.03976	3.1
265.07098	3.8
271.06100	2.0
271.64862	0.7
273.07590	8.9
277.07040	2.6
279.05008	0.7
289.07059	22.2
301.07059	13.3
302.07382	1.1
319.04279	0.9
319.08099	25.5
320.08521	2.1
337.09171	31.6
338.09433	2.2
355.10193	78.6
355.13657	3.5
356.10544	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	355.1025
Annotation	Biflorin
Peak:m/z	Relative Intensity
55.01843	1.0
57.03406	1.1
60.47085	0.6
61.02909	1.1
69.36156	2.9
85.02873	2.8
94.05269	0.7
97.02892	1.1
103.03908	1.3
104.61590	0.7
107.04954	0.9
114.10231	1.5
131.04897	0.8
148.08545	0.7
151.03889	1.9
157.12297	1.0
161.05991	3.3
167.03444	1.3
168.34866	0.7
177.05365	1.7
189.05461	16.0
192.04123	1.4
193.04956	6.5
195.02853	1.1
199.07469	0.9
201.05576	1.2
203.07022	6.5
205.04958	100.0
206.05627	9.5
213.05396	0.9
215.07001	1.5
217.04961	13.2
217.08607	2.0
219.02890	0.7
219.06494	1.3
227.07005	3.9
229.04993	3.5
230.05748	1.3
231.02864	2.4
231.06525	21.2
232.06804	1.1
235.06001	74.6
236.06410	3.2
243.06471	2.0
245.04384	0.8
245.08119	10.8
255.06512	4.3
257.04230	0.8
259.06012	38.0
260.06326	2.0
271.06000	12.5
272.06210	0.9
273.07635	1.9
283.06018	13.5
284.06613	0.8
289.07037	22.0
290.07401	1.0
301.07086	15.3
302.07126	1.1
319.08118	15.1
320.08411	1.1
337.09116	8.4
338.09753	1.0
355.10165	4.9
355.13687	51.3
355.16891	1.9
356.13968	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	355.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62986	1.1
73.41347	0.4
76.18852	0.5
85.02894	1.7
85.25981	0.4
86.09702	0.8
142.85367	0.5
151.03949	0.5
161.05962	0.9
189.05444	5.1
189.57979	0.5
193.04938	1.4
203.07056	2.5
205.04961	29.9
206.05630	3.3
217.04901	4.2
227.07069	1.3
229.04936	1.2
231.02957	1.0
231.06519	6.9
235.06009	21.5
236.06372	0.8
243.06706	0.6
245.08173	2.4
255.06560	1.7
259.05988	9.4
260.06403	0.7
271.05969	3.5
273.07596	0.6
283.06067	3.4
289.07043	6.2
301.07053	5.4
319.08185	4.3
337.09265	2.3
355.13641	100.0
356.14011	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	355.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70162	2.6
53.05879	3.4
55.01871	4.6
55.05505	7.8
55.50287	3.1
56.48058	3.3
62.54650	3.4
67.05509	4.2
69.07075	6.7
71.05018	2.9
79.05492	19.1
91.05492	17.0
93.07053	12.7
95.04984	9.3
97.06538	10.3
98.97570	4.3
99.04464	7.7
103.05504	3.4
105.07027	55.1
107.04961	8.6
107.08605	14.3
109.06553	4.3
115.05453	4.2
115.46638	3.1
117.07014	8.2
117.33239	2.9
119.08654	3.5
121.06503	34.3
125.06000	7.1
130.07829	5.0
131.08563	9.8
133.06511	22.3
133.10188	3.9
136.06061	2.7
136.90646	2.8
137.05998	10.9
143.07080	5.7
144.09331	3.3
145.06458	16.7
145.10132	51.7
154.07777	4.5
155.08574	7.1
158.07278	13.9
159.08032	16.0
159.11700	21.1
161.09593	5.6
169.10193	9.4
172.08800	8.7
173.09628	100.0
174.09981	6.8
187.11194	50.5
197.09633	12.1
201.05505	15.8
205.12236	18.2
215.10683	59.0
216.11090	4.4
233.11717	27.8
234.06770	5.6
235.07623	3.3
262.06311	6.4
277.08609	7.3
292.07092	3.8
305.08154	11.6
325.10764	6.1
337.10712	15.8
355.11661	7.2
355.17410	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	355.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79125	0.8
53.03955	0.9
53.80524	1.0
55.01868	2.0
55.05518	6.1
56.96563	7.5
57.03432	2.0
57.07072	2.7
59.05007	1.0
65.03917	1.7
67.05502	9.6
69.07063	6.1
70.06580	4.7
71.04990	1.7
71.08629	36.8
71.43478	1.0
74.06074	1.0
79.05486	9.3
80.66154	0.9
81.07055	20.1
83.04968	1.3
83.08603	3.3
85.02898	1.9
85.06532	2.7
88.07622	9.8
91.05465	4.6
93.07045	6.1
95.04984	2.9
95.08607	12.6
97.06532	2.3
97.10122	1.3
97.96815	1.8
98.97606	1.7
99.04455	1.3
99.07451	1.8
99.08092	29.3
102.09174	1.8
104.54029	0.8
105.07027	4.7
106.08680	4.7
107.04958	11.7
107.08578	4.2
109.06541	1.7
109.10156	4.5
110.97567	3.8
111.04433	1.5
113.02381	1.5
113.06001	3.0
115.03909	1.9
115.05389	1.5
117.07008	3.4
119.08580	2.5
121.06487	2.0
121.10151	5.4
123.04441	1.6
123.08060	1.8
125.02354	1.4
125.05963	1.7
125.09604	1.0
125.97254	1.1
126.10813	0.9
127.03893	5.7
127.11186	2.9
128.98651	4.4
129.06976	1.3
131.08589	1.4
133.06464	1.4
133.10101	2.2
135.08054	1.5
137.05971	2.0
137.09593	2.0
139.03865	5.3
141.01823	8.1
141.05391	2.3
143.00261	1.0
143.08516	1.0
145.06465	2.1
145.10136	1.2
146.99590	1.6
147.08052	1.5
149.09566	1.3
150.58205	0.8
151.03891	3.1
153.05495	3.0
155.03386	5.9
157.04936	2.7
159.11679	1.1
161.09612	1.8
163.07521	2.3
163.14789	1.5
165.05478	1.7
167.03442	1.1
169.03618	1.9
169.04956	20.9
173.05978	1.4
177.09048	1.1
177.16408	3.4
179.06976	1.1
181.15875	4.2
187.14832	1.1
189.09108	1.3
189.16406	1.1
193.15903	1.5
195.13878	1.3
195.17397	4.6
203.10759	1.3
203.14273	1.5
205.08559	4.1
205.15903	2.0
221.11736	3.2
221.15372	4.1
223.16928	3.3
239.12772	1.7
311.22232	3.1
315.16278	13.8
319.19125	7.1
331.15625	1.1
333.17361	23.5
336.32440	1.6
337.20096	100.0
338.20267	8.2
341.63080	1.0
351.18387	5.7
354.33640	36.8
355.18869	54.5
355.33929	16.1
356.18945	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	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05513	0.5
69.81880	0.8
69.82271	0.8
73.63920	0.3
76.89841	0.4
82.76681	0.3
83.08610	0.4
91.19280	0.3
93.07039	0.6
97.02866	0.5
98.22778	0.6
116.14900	0.4
119.74145	0.4
137.05978	4.5
151.07484	0.9
182.15407	0.8
193.12215	1.5
201.03716	2.8
203.05249	8.1
210.14972	0.8
235.13823	0.4
335.33142	0.4
337.21341	0.4
355.17261	100.0
356.17551	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	355.173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74928	0.9
67.05494	1.2
69.03448	1.3
69.07063	2.4
71.45709	1.0
79.05473	1.1
81.07053	1.3
85.02895	2.4
98.97592	1.9
107.04944	1.2
125.05978	1.5
137.05975	48.1
137.78499	1.0
138.06328	1.8
161.05962	1.0
163.07468	1.8
177.09016	1.7
187.11124	1.0
193.12212	23.7
194.12509	1.5
201.03720	1.3
201.05482	2.6
263.06970	1.1
294.66422	1.0
307.57541	1.1
319.22806	1.7
323.08890	1.2
355.17258	100.0
356.13956	1.1
356.17474	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	355.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
53.26555	0.2
55.01865	0.4
57.03426	0.3
61.02921	0.6
66.04717	0.3
67.01864	0.7
67.05495	0.3
69.03434	1.5
69.07066	7.0
69.55836	0.2
70.07390	0.2
71.44261	0.2
73.02923	0.2
77.03926	0.3
79.05496	2.7
81.03420	0.7
81.07057	1.2
85.02901	5.3
91.05497	0.7
94.04195	0.5
95.04948	0.8
97.02890	1.1
99.04460	0.3
103.05486	0.2
105.03398	0.2
105.04500	0.3
107.04953	4.1
109.02891	0.4
109.06520	2.3
110.03653	0.2
115.05492	0.2
119.04956	0.4
121.06468	0.2
122.03642	0.3
122.33795	0.2
123.04443	0.4
125.05992	2.9
126.06261	0.2
127.03912	0.8
133.06496	0.2
135.05527	0.8
137.05972	100.0
138.06296	3.2
145.04922	0.5
146.47798	0.2
147.04425	0.2
147.08032	0.3
149.05971	0.3
151.07547	1.9
155.07047	0.3
161.05981	0.7
162.06746	0.2
162.95137	0.2
173.06003	0.3
175.04001	0.2
175.07520	0.4
179.07034	0.5
180.07787	0.2
186.03136	0.3
193.12234	71.9
194.12572	3.4
201.05441	2.3
201.09084	0.2
203.07074	0.2
203.10597	0.4
205.12274	0.7
206.07175	0.2
217.12193	0.8
229.12254	0.4
234.06708	0.4
235.13231	0.3
249.09079	0.2
259.13260	0.5
262.06400	0.2
277.08810	0.3
305.08054	0.5
319.15378	0.2
325.10651	0.2
337.10663	0.4
355.11755	0.5
355.17172	3.0
364.91867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
53.26555	0.2
55.01865	0.4
57.03426	0.3
61.02921	0.6
66.04717	0.3
67.01864	0.7
67.05495	0.3
69.03434	1.5
69.07066	7.0
69.55836	0.2
70.07390	0.2
71.44261	0.2
73.02923	0.2
77.03926	0.3
79.05496	2.7
81.03420	0.7
81.07057	1.2
85.02901	5.3
91.05497	0.7
94.04195	0.5
95.04948	0.8
97.02890	1.1
99.04460	0.3
103.05486	0.2
105.03398	0.2
105.04500	0.3
107.04953	4.1
109.02891	0.4
109.06520	2.3
110.03653	0.2
115.05492	0.2
119.04956	0.4
121.06468	0.2
122.03642	0.3
122.33795	0.2
123.04443	0.4
125.05992	2.9
126.06261	0.2
127.03912	0.8
133.06496	0.2
135.05527	0.8
137.05972	100.0
138.06296	3.2
145.04922	0.5
146.47798	0.2
147.04425	0.2
147.08032	0.3
149.05971	0.3
151.07547	1.9
155.07047	0.3
161.05981	0.7
162.06746	0.2
162.95137	0.2
173.06003	0.3
175.04001	0.2
175.07520	0.4
179.07034	0.5
180.07787	0.2
186.03136	0.3
193.12234	71.9
194.12572	3.4
201.05441	2.3
201.09084	0.2
203.07074	0.2
203.10597	0.4
205.12274	0.7
206.07175	0.2
217.12193	0.8
229.12254	0.4
234.06708	0.4
235.13231	0.3
249.09079	0.2
259.13260	0.5
262.06400	0.2
277.08810	0.3
305.08054	0.5
319.15378	0.2
325.10651	0.2
337.10663	0.4
355.11755	0.5
355.17172	3.0
364.91867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01865	1.0
55.05513	4.9
55.78179	0.5
56.96553	0.8
57.03428	1.9
57.07061	1.8
67.01852	0.7
67.05502	7.3
68.99782	1.7
69.07087	2.8
69.59316	2.1
69.88852	0.5
71.04983	1.1
71.08628	38.8
72.08955	1.0
79.05487	7.4
81.03432	0.7
81.07055	15.2
83.04978	1.5
83.08625	3.3
85.02898	1.7
85.06525	1.2
88.07623	1.3
91.05481	3.3
93.03373	0.5
93.07042	4.9
95.04970	2.3
95.08602	11.5
95.87806	0.5
96.09000	0.6
97.06526	1.3
97.10158	1.5
97.96766	0.6
98.97576	0.6
99.04435	1.4
99.08089	27.1
100.08414	0.6
102.09215	0.5
103.05466	0.8
105.04500	0.6
105.07016	2.3
107.04948	12.3
107.08579	4.2
109.02824	0.7
109.06508	1.7
109.10174	3.1
110.97574	0.6
111.04440	2.0
111.08096	0.6
113.02357	2.1
113.05991	2.5
115.03922	1.7
115.05451	1.1
117.07036	3.0
119.08564	2.5
121.02869	1.1
121.06508	1.4
121.10132	3.3
123.04414	1.9
123.08057	2.3
123.11698	1.0
125.02377	1.3
125.06006	1.2
125.09593	1.6
127.03912	5.6
127.11213	2.9
128.06268	0.5
128.98587	0.7
129.06996	1.2
131.04900	0.8
131.08546	1.4
133.06476	3.1
133.10121	1.6
135.08025	2.1
135.11696	1.2
137.05945	2.1
137.09621	1.1
139.03893	5.1
139.11035	0.7
141.01816	8.3
141.05437	2.0
141.09096	0.5
141.12726	0.9
143.03416	1.1
143.08527	0.9
145.06496	2.6
145.10077	1.1
147.08054	1.3
147.11668	0.7
149.09595	1.6
151.03903	2.9
151.11057	0.5
153.05467	3.4
154.02625	0.8
155.03398	5.0
157.04970	1.6
161.06042	0.8
161.09645	1.5
163.03955	0.7
163.07510	1.2
163.11211	0.7
163.14819	0.9
165.05545	0.7
167.03412	1.4
167.14311	0.6
169.04959	19.8
170.05211	0.9
171.08008	0.9
173.06030	1.8
175.07631	0.6
177.09106	1.7
177.16385	2.3
179.07021	0.8
179.10686	0.8
181.05081	0.9
181.15878	5.1
185.04428	0.7
185.09669	0.6
187.07556	0.6
189.05505	0.5
189.08882	0.6
191.07028	0.7
193.08571	1.2
193.12209	0.5
193.15898	1.0
195.13829	1.1
195.17465	5.7
203.10654	2.1
203.14319	1.9
205.08522	4.0
205.15874	2.0
221.11781	3.0
221.15364	5.3
223.16937	3.7
239.12708	2.8
243.10332	0.6
287.16418	0.6
293.21188	1.5
301.17963	1.3
308.12720	0.5
309.20544	0.6
311.22189	3.9
315.16321	2.3
319.18982	6.6
333.17316	3.2
337.20065	100.0
338.20438	8.0
354.33725	2.5
355.18600	12.7
355.33810	3.6
356.18658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38511	0.4
51.43711	0.4
70.06590	0.6
93.76598	0.5
99.00140	0.4
104.99087	0.3
117.16333	0.5
137.05986	0.7
186.11963	0.4
250.15744	0.4
287.07080	0.5
355.28186	100.0
356.24231	0.5
356.28580	8.4
356.35117	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	355.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
65.53113	0.8
69.07028	1.1
69.57449	0.7
69.57809	3.2
73.10298	0.7
109.08129	0.8
138.06754	1.4
139.07025	0.7
146.93130	0.7
184.99518	0.7
355.17316	2.2
355.28183	100.0
356.28564	8.9
356.35101	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61677	2.0
55.05511	28.6
57.03442	7.3
57.07076	38.9
67.05505	72.0
69.07069	36.2
69.64400	6.7
70.06596	6.2
71.04996	2.9
71.08631	10.3
77.03938	2.9
79.05494	23.9
81.07057	100.0
82.07411	2.1
82.70617	1.9
83.08624	27.2
85.06540	3.4
85.10179	5.6
88.07661	5.0
89.06047	16.1
91.05479	22.4
93.07056	39.6
93.42207	1.9
95.04980	6.5
95.08609	75.9
97.06535	9.1
97.10182	17.6
98.97595	5.8
99.08083	4.8
105.07032	8.4
106.08694	3.5
107.08591	22.8
109.10151	40.6
111.08109	3.3
111.11754	6.8
113.09673	4.4
119.08577	11.5
121.06511	50.9
121.10133	24.4
122.00661	2.4
123.11717	16.6
133.08615	6.7
133.10139	18.8
135.11679	14.8
137.13254	6.8
139.07536	3.6
147.08063	2.4
147.11673	10.4
149.13255	12.7
151.14787	9.8
155.14357	2.7
160.92529	2.1
161.13277	12.5
163.14798	13.9
165.09129	22.3
165.16447	7.1
167.14247	2.3
169.10141	2.4
175.14867	12.1
178.46590	2.1
179.17981	4.0
189.16338	3.3
227.12785	69.3
245.22630	47.3
246.23044	4.5
263.20901	3.7
263.23691	54.8
264.24075	3.9
290.94775	2.4
337.27362	24.0
338.27911	2.3
338.34314	5.6
354.47455	2.3
355.28436	4.9
355.33896	3.3
356.35211	63.4
356.39636	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	355.2843
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
53.03939	1.8
55.05514	39.6
57.03441	7.6
57.07077	21.9
59.14550	1.5
62.31941	1.6
65.03954	2.0
67.05505	80.2
68.05832	2.4
69.07072	42.9
69.76900	6.0
70.06597	8.9
71.04993	2.4
71.08630	7.1
78.23346	1.7
79.05492	25.2
80.11473	1.8
81.07059	100.0
82.07388	2.5
83.04966	2.2
83.08619	29.9
85.06542	5.5
85.10181	4.9
88.07616	11.3
89.06061	2.1
91.05489	18.1
93.07046	33.6
95.04969	2.1
95.08606	84.0
96.08969	2.1
97.06547	8.8
97.10157	17.7
98.97598	3.5
99.08076	2.8
102.09196	3.7
105.07021	14.8
106.08678	5.3
107.08595	19.5
109.10155	44.2
111.08110	2.1
111.11727	7.4
119.08574	14.7
121.06524	3.3
121.10140	25.4
123.11704	24.6
125.13269	3.1
129.05510	2.1
133.10136	21.6
135.11737	11.8
137.09599	2.6
137.13272	12.1
139.11250	2.0
141.12775	3.1
147.11664	11.9
149.13258	13.3
151.11139	2.4
151.14861	6.5
161.13260	12.0
163.14830	12.6
165.12843	1.9
165.16367	9.8
167.14250	2.5
175.14845	13.8
177.16368	3.1
179.17911	5.3
189.16359	5.4
203.17999	3.1
227.12845	5.5
245.22650	49.7
246.22937	3.2
263.23694	50.1
264.24081	3.4
265.25589	2.2
277.48273	1.8
337.27417	37.5
338.33954	4.3
355.15628	2.1
355.28412	6.4
355.33878	3.3
356.35217	76.6
356.39694	3.6
361.24091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10852	2.5
55.05516	34.4
57.03435	6.5
57.07077	12.4
58.96685	2.4
64.59891	2.7
67.05173	5.2
67.05505	71.7
69.07066	36.4
69.74898	7.7
70.06573	7.5
71.05006	4.3
71.08614	7.8
79.05488	22.3
81.07056	88.8
82.07375	4.0
83.04967	3.3
83.08628	27.9
84.92450	2.5
85.10152	5.5
88.07637	15.2
88.45601	2.9
91.05452	17.4
93.07035	25.2
95.08025	4.8
95.08608	76.8
97.06495	7.8
97.10159	12.0
98.97574	11.5
105.07007	10.0
105.85184	2.6
106.08668	8.1
107.08588	11.7
109.10152	36.9
111.11710	4.6
113.09658	3.7
115.68786	2.6
116.98625	7.3
119.08598	14.2
121.10146	25.8
123.11722	17.5
133.10139	10.7
134.99640	3.4
135.11693	11.5
137.05923	3.7
137.13246	8.6
141.12735	2.8
147.11693	9.6
149.13263	12.4
151.07527	3.2
161.05986	2.9
161.13243	9.3
163.07520	5.4
163.14832	11.8
165.16481	6.3
175.07518	7.9
175.14803	7.0
177.09056	3.2
180.98013	3.5
187.07489	4.3
189.09135	4.8
189.16409	3.5
198.99069	3.0
206.46764	2.7
217.19307	2.9
231.13750	6.4
245.22653	39.7
246.23047	3.1
249.13188	3.0
263.23715	42.5
264.23865	3.2
272.93753	3.6
290.94745	10.1
337.10242	4.1
337.27332	27.9
337.31137	3.4
337.32913	4.4
354.33600	3.5
355.19070	2.9
355.26331	13.8
355.33969	100.0
356.34317	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	356.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86855	0.8
57.03440	16.2
58.31509	0.9
61.02940	1.0
69.03427	3.7
69.67838	2.6
71.04982	1.0
73.02918	1.3
81.03414	3.3
85.02907	12.0
87.00833	3.6
95.08605	2.4
97.02868	4.6
98.22813	1.5
99.03815	1.6
99.04454	26.2
99.05083	1.8
100.04838	1.3
105.01874	7.4
109.02871	2.7
113.09668	1.9
117.05495	14.1
118.05898	1.0
127.03918	8.1
131.07039	100.0
132.07372	2.7
137.11266	0.9
145.04941	3.4
145.05977	0.9
146.79671	1.0
159.06537	14.6
159.08969	1.0
159.10187	2.5
177.07584	22.2
180.08580	1.3
194.10236	1.8
195.06218	1.3
200.88531	0.9
213.58815	0.9
231.04993	2.8
271.77594	1.0
274.97537	0.9
356.09793	1.1
356.13657	2.1
357.11514	7.5
357.15274	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62805	0.7
55.01862	0.8
55.05520	1.5
57.03439	6.6
57.07075	2.1
57.57104	0.8
58.52381	0.7
59.05013	0.8
59.64305	0.7
61.02922	1.7
67.05502	3.9
69.03414	3.7
69.37162	2.4
69.37569	1.2
71.04990	2.3
73.02908	0.8
76.98838	0.7
79.05498	1.3
81.03410	1.5
81.07056	1.4
83.50148	0.7
85.02908	15.2
85.06534	1.4
85.10189	6.7
86.09715	1.2
88.63574	0.7
93.07037	0.9
95.08608	50.1
96.08938	1.0
97.02889	4.0
98.22694	0.7
99.04440	0.9
105.03387	3.1
106.03717	3.1
109.02866	1.3
112.11272	0.8
113.09648	71.0
114.10003	1.5
119.08567	0.8
123.08063	8.8
127.03912	3.0
131.10684	100.0
132.11046	3.2
137.02353	0.8
141.09109	5.3
145.05009	1.4
146.16568	1.2
159.10201	1.6
161.05690	0.9
177.11232	32.3
177.12796	1.8
178.11621	0.9
180.07253	1.3
193.04907	0.9
207.06358	0.8
356.17447	9.8
357.11627	0.9
357.15219	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	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
57.07075	56.0
64.69162	0.7
69.16795	2.0
69.17200	2.1
71.08592	0.9
77.03931	1.6
84.47324	0.7
88.62325	0.6
89.06026	23.6
90.06310	0.8
91.05479	5.7
93.07041	13.9
95.04979	5.3
103.05446	4.3
105.04503	2.2
113.13276	1.6
119.04898	0.9
121.06502	61.2
121.88078	0.7
122.06840	1.9
133.08624	9.6
139.07529	2.8
147.08037	1.4
154.26404	0.7
162.90379	0.7
165.09116	29.4
166.09471	1.4
183.10170	1.1
209.11707	2.4
218.10660	0.7
227.12767	100.0
228.13094	5.6
356.35147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
66.79112	0.7
69.03436	3.5
69.07072	1.5
69.51396	1.5
69.51743	1.1
77.60419	0.5
79.05480	0.5
81.03419	2.3
85.02908	3.3
87.00825	1.9
91.05478	15.2
93.07064	0.8
97.02892	4.7
98.23389	1.1
98.34147	0.5
99.04466	1.6
103.64525	0.6
105.01875	1.1
109.02876	0.6
127.00008	0.6
127.03906	4.1
133.06575	0.6
145.04961	2.5
161.05927	0.8
168.26530	0.5
185.04219	5.3
195.09920	27.1
196.10243	1.6
203.05309	1.9
223.46266	0.6
227.05399	1.0
231.04980	2.0
239.07326	0.5
243.04828	1.0
245.06300	2.8
246.06851	0.6
270.00082	0.6
271.04321	1.8
271.11520	2.5
285.72815	0.7
287.03799	4.0
289.05283	8.1
295.11734	0.6
305.55185	0.6
313.12534	21.1
314.13150	1.4
314.19485	1.0
357.11530	100.0
357.15289	37.3
357.18875	6.4
358.11896	7.6
358.15637	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04215	0.6
60.09859	0.4
69.30860	1.6
73.02911	1.1
75.23022	0.4
86.09707	0.5
89.05561	0.6
89.06026	3.1
100.55715	0.4
105.11480	0.5
105.89352	0.4
122.84326	0.4
124.08054	0.4
133.08611	2.4
137.05916	0.7
177.11214	1.2
182.25555	0.4
199.12656	0.5
203.05263	7.1
291.43073	0.4
299.14655	1.7
357.18817	100.0
358.19113	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	357.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99623	0.4
66.20741	0.4
70.71333	0.4
91.05531	0.4
93.07035	0.6
107.03282	0.3
107.08629	0.4
114.99501	0.3
115.23975	0.4
137.06007	0.4
229.05978	0.3
314.17374	0.5
339.17978	0.4
357.18829	100.0
358.19186	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24485	0.5
69.24895	1.2
79.05483	0.3
79.35764	0.3
81.07063	0.4
93.06995	0.4
95.08632	0.4
102.56670	0.3
139.83273	0.3
153.75111	0.3
183.23898	0.3
213.13206	0.4
224.40704	0.3
241.88683	0.4
273.54724	0.3
295.09607	0.3
306.79709	0.3
327.12268	0.6
329.13824	0.5
357.18823	100.0
358.19220	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	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00444	0.4
58.70844	0.3
59.06204	0.4
70.79431	0.4
98.22681	0.4
137.05963	0.4
185.22934	0.4
188.00111	0.4
197.06253	0.4
199.35471	0.4
259.16397	0.4
260.85916	0.4
264.27701	0.4
283.15219	0.5
339.17624	0.5
357.18817	100.0
358.19141	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04215	0.6
60.09859	0.4
69.30860	1.6
73.02911	1.1
75.23022	0.4
86.09707	0.5
89.05561	0.6
89.06026	3.1
100.55715	0.4
105.11480	0.5
105.89352	0.4
122.84326	0.4
124.08054	0.4
133.08611	2.4
137.05916	0.7
177.11214	1.2
182.25555	0.4
199.12656	0.5
203.05263	7.1
291.43073	0.4
299.14655	1.7
357.18817	100.0
358.19113	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	357.2425
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
55.05513	15.5
56.05835	1.2
57.07072	6.6
59.76023	1.0
66.75876	0.9
67.05501	5.6
68.99789	1.6
69.07056	11.0
69.51053	3.6
70.06587	9.0
71.08618	3.3
74.36227	1.1
75.93443	1.2
79.05476	1.4
80.94854	1.3
81.07064	5.8
83.08627	6.9
88.07626	10.1
91.05491	2.4
93.07030	2.6
94.94920	0.9
95.04971	1.7
95.08601	3.5
97.10165	2.3
98.23328	2.5
102.09206	1.8
105.07027	3.4
106.08669	4.4
107.04944	2.0
107.08542	1.2
115.05457	1.3
117.06984	1.3
119.08578	1.6
121.06495	4.2
123.04413	7.6
129.06999	2.3
133.06435	1.5
134.14508	1.2
135.08018	1.2
145.06543	1.8
145.15707	1.0
147.04457	6.6
149.05969	17.8
150.06264	1.1
160.05176	3.1
161.05969	22.2
161.09744	1.0
163.07532	6.3
168.02277	1.1
171.08084	1.3
173.06003	11.6
175.03886	1.0
175.07536	17.8
177.05458	18.8
184.11693	1.1
186.06737	2.4
187.07565	3.6
189.05533	5.8
189.09116	6.1
190.06157	1.5
191.07022	3.1
198.06755	1.8
199.07574	7.7
200.08211	1.7
201.09140	8.7
203.07036	2.6
203.10648	3.8
213.09091	5.9
215.10674	1.5
227.10783	2.0
266.07892	1.2
329.24750	2.8
339.23087	3.3
339.34393	2.8
340.35696	2.1
356.35175	7.1
357.24207	100.0
357.35529	47.3
358.24551	11.3
358.32257	1.6
358.36755	26.9
360.35440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34587	1.6
53.03919	1.8
55.05517	8.8
56.05832	2.1
57.07083	11.5
58.65347	1.8
67.05158	3.4
67.05505	47.4
69.07075	12.4
69.21619	6.8
69.22014	4.1
69.72373	2.0
70.06609	10.9
71.06916	2.1
71.08631	3.5
72.04535	2.8
79.05490	7.6
79.50129	1.8
80.94875	2.3
81.07059	59.2
83.01350	2.6
83.08616	4.6
88.07639	14.9
89.06015	2.5
89.07990	1.8
89.44196	2.0
91.05480	5.1
93.07036	7.5
95.08609	49.4
102.09164	3.7
106.08664	6.9
107.08556	3.2
109.06534	2.2
109.10148	11.0
114.58808	2.0
121.06512	10.3
121.10114	2.7
122.06825	3.6
123.11713	7.7
127.05777	2.3
130.04977	2.1
137.05975	91.0
137.13261	7.6
138.06346	2.5
149.09602	2.9
151.07562	1.9
151.14815	4.6
155.36465	1.9
162.06670	1.9
163.07550	22.3
165.09073	5.9
166.09422	3.2
175.07570	1.9
177.09117	47.8
191.10609	17.9
205.12274	5.1
210.20299	1.7
212.47298	1.7
219.13747	3.3
227.12816	5.6
228.13165	7.6
258.28079	2.0
265.94107	2.0
311.20453	3.1
335.15591	2.0
339.34454	6.7
356.35153	17.9
356.39032	4.8
357.14725	12.5
357.23914	3.5
357.28290	25.3
357.35532	100.0
357.39020	4.2
358.36429	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	357.2996
Annotation	Monoolein
Peak:m/z	Relative Intensity
53.03950	3.1
54.45278	1.5
55.05260	3.0
55.05511	43.4
56.05846	3.0
57.03433	6.0
57.07079	26.0
59.05011	2.4
62.16806	1.7
62.65908	1.7
67.05501	41.4
69.07069	66.5
70.06600	10.0
71.08630	16.7
75.04465	3.2
79.05492	30.9
81.07053	49.9
83.04987	3.7
83.08615	42.6
84.08891	1.8
85.06520	2.4
85.10184	8.7
88.07624	12.6
89.07961	2.9
91.05491	6.3
93.07043	34.6
95.04965	2.2
95.08605	49.0
95.09212	2.9
95.73415	1.6
96.08946	2.6
97.06541	15.4
97.10169	26.0
98.22723	5.1
101.06017	1.7
102.09162	3.4
103.03924	3.2
105.06966	1.7
106.08647	4.6
107.08588	23.6
109.10148	24.6
111.08064	6.3
111.11728	8.6
121.10143	46.6
123.11731	10.4
125.09639	2.8
125.13333	1.7
135.10652	2.4
135.11688	37.9
137.13213	4.0
139.11159	2.9
149.13246	18.1
151.14821	6.1
153.12750	3.7
163.14810	8.3
165.16380	5.6
177.16423	4.8
187.31194	1.9
191.17975	4.0
205.19650	1.8
208.30229	1.7
247.24237	38.5
248.24695	4.4
255.09045	2.3
265.25290	53.1
266.25714	4.2
283.26331	3.3
317.13098	2.3
335.20377	3.5
339.28964	39.0
339.33435	3.0
340.29236	2.8
357.26102	3.1
357.30344	5.9
357.35535	100.0
358.36200	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	3.3
55.05513	59.6
56.05864	2.6
57.03429	9.6
57.07075	39.4
67.05502	65.8
69.07067	89.2
69.25849	11.3
70.06593	17.2
70.07390	2.4
70.43689	2.2
71.05020	2.6
71.08632	23.9
75.04476	4.9
79.05495	34.1
81.07056	79.5
82.07376	2.4
83.04977	5.0
83.08622	58.3
85.06528	4.3
85.10167	11.4
87.04457	4.2
88.07626	21.9
91.05447	3.3
91.66465	2.9
93.07051	47.2
95.08604	82.0
96.08960	2.2
96.33897	2.6
97.06540	25.3
97.09598	3.5
97.10170	43.6
99.08060	3.2
102.09180	4.7
105.07024	3.6
106.08667	11.3
107.08588	36.1
108.61692	2.1
109.10162	43.7
111.08055	10.7
111.11715	11.5
113.09634	2.6
121.10136	71.4
122.10468	3.2
123.11683	16.5
125.09589	4.3
125.13268	6.5
129.05533	2.4
133.10182	2.6
135.11688	62.7
136.28520	2.4
137.13263	6.4
139.11226	5.5
143.14268	4.3
145.10118	3.0
147.11635	2.9
149.13272	27.3
151.14825	9.4
153.12732	3.8
155.14172	3.0
163.14839	13.1
165.16368	11.6
167.14354	5.2
177.16403	6.8
185.15376	2.8
191.17950	3.1
203.97035	2.1
205.19563	3.1
244.59164	2.6
247.24205	68.9
248.24515	4.4
265.25262	74.3
266.25604	7.0
283.26385	5.4
339.28928	60.4
339.34561	4.9
340.29178	6.1
340.35638	5.1
357.25931	3.6
357.30914	5.6
357.35544	80.1
358.36765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41209	0.5
63.76410	0.6
64.92620	0.5
69.03403	0.6
70.50643	0.8
70.50979	0.8
77.03948	0.5
79.05475	1.0
85.02914	1.7
90.39833	0.5
91.42031	0.4
95.04958	1.3
105.04462	0.8
135.04413	100.0
136.04764	2.5
178.08691	0.6
196.09686	45.9
197.10074	1.4
358.15543	1.3
358.21591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11614	0.7
57.03428	0.8
59.05011	7.3
69.03430	1.3
70.06581	1.9
71.20309	0.9
72.08145	1.1
73.06538	0.8
77.06035	1.4
81.07060	0.9
85.02890	1.1
86.09716	2.4
87.04466	31.9
89.06030	58.8
90.06337	1.0
95.08639	1.0
99.04455	0.9
103.03941	100.0
103.07562	3.7
104.04285	1.2
107.07056	2.0
107.08607	0.8
109.23097	0.9
115.21374	0.8
119.07054	2.4
121.08612	2.2
131.07033	9.2
133.08606	35.8
137.06023	1.0
147.06522	14.9
152.14316	0.8
153.01883	1.7
163.09657	4.3
175.09634	4.7
177.11206	10.2
191.09119	7.7
197.11543	0.8
205.21948	0.7
207.02652	0.7
207.12248	7.5
209.13748	1.4
219.12317	1.4
221.13881	2.1
235.11765	7.9
236.12001	1.1
276.77341	0.8
279.14554	1.0
283.17560	1.5
287.10925	1.0
295.17453	4.3
297.15399	0.9
313.18597	3.4
314.19641	8.2
323.17105	4.6
341.18076	24.4
342.18375	1.3
358.11771	1.1
358.15488	12.5
358.22372	6.0
359.07257	1.6
359.12885	2.8
359.16827	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	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88845	1.7
55.05517	2.5
59.04996	22.1
65.03944	5.0
67.05505	70.1
68.05857	2.1
69.07058	3.5
69.64640	3.7
69.65044	3.6
69.85151	1.7
71.04997	8.9
73.06568	2.7
77.00539	1.9
79.05479	5.3
81.07056	8.4
84.18747	2.0
85.06549	15.6
91.05479	5.1
93.07021	5.5
95.04968	100.0
95.08605	5.5
98.71160	2.0
99.08099	28.7
105.07059	4.3
107.08646	4.7
109.06526	18.0
119.08565	4.6
121.10146	3.7
123.08105	2.5
126.66167	1.9
127.07551	42.8
127.08431	3.7
129.07037	2.1
131.08592	5.0
133.10089	2.6
135.08057	6.7
135.11787	1.9
143.08545	2.8
145.10136	6.4
149.09630	3.5
157.10272	2.3
161.09631	2.9
161.13249	2.0
163.11183	2.9
167.00363	1.9
175.11183	2.3
217.15891	3.9
222.22610	2.0
258.81494	2.1
273.18475	15.1
275.34433	2.2
291.19547	41.7
292.19833	2.6
300.47260	2.0
305.21155	6.4
323.22083	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	358.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	8.0
57.53440	1.3
60.33633	1.2
69.15914	5.5
69.16317	3.8
73.37091	1.2
98.97574	66.0
101.62706	1.3
116.98614	36.6
129.50139	1.4
134.99637	7.2
138.50461	1.5
156.96577	2.2
174.97604	15.3
177.00868	3.9
178.01019	2.1
179.35037	1.4
190.95419	2.2
192.98701	7.2
198.97717	5.5
203.02519	2.3
210.95901	1.7
214.95648	6.9
216.98680	42.2
217.98975	2.2
219.02029	4.2
232.96609	14.8
233.96782	1.8
234.99739	50.5
235.99899	2.5
236.99802	1.3
240.99060	1.6
247.96451	1.4
250.93663	2.7
250.97632	7.4
251.94957	1.5
256.96674	23.7
257.96701	1.8
258.99728	19.8
260.00085	2.4
261.00159	2.8
261.03009	4.1
262.03253	2.7
263.02823	4.5
268.94717	3.4
274.94696	2.0
274.97711	37.1
275.97687	3.3
276.04675	2.8
277.00812	17.4
278.00858	2.3
279.00986	2.4
280.96692	2.9
282.99969	1.7
284.99875	8.5
292.94989	5.6
292.98761	4.6
293.95593	5.2
294.05917	2.4
298.97733	59.7
299.97873	10.1
301.01019	1.5
303.00934	10.9
310.92590	1.3
316.95023	19.5
316.98773	85.0
317.02081	2.9
317.95651	1.8
317.99026	8.8
334.96057	15.9
334.99820	2.6
335.95892	1.9
340.00153	1.7
340.98801	46.5
341.98972	3.4
358.99811	100.0
359.03488	7.8
360.00031	11.4
376.96915	3.9
377.00885	6.1
382.01239	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02083	0.4
55.01868	0.4
63.20006	0.4
63.34294	0.4
69.03431	0.5
69.44201	1.8
70.06592	0.7
72.08115	0.4
73.72586	0.4
85.02907	1.7
86.09689	0.5
97.02905	0.8
106.90834	0.4
127.03928	1.6
128.00255	0.5
137.02357	0.9
137.05928	0.5
145.04906	0.8
153.01843	1.5
153.05272	0.5
154.77727	0.5
155.08229	0.4
158.06035	0.4
167.03468	0.4
167.08131	0.5
179.06853	0.9
183.73651	0.4
185.04152	0.8
197.07838	6.6
239.25613	0.3
281.56885	0.4
282.12418	0.5
300.13397	1.1
323.88272	0.4
359.13107	100.0
359.17068	10.2
360.13599	6.1
360.17374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37975	0.3
59.86030	0.4
69.03438	0.5
69.48460	1.7
71.01078	0.4
75.85497	0.4
79.46901	0.3
85.02914	0.8
87.44779	0.4
98.22775	0.8
127.03894	0.5
132.85760	0.4
151.04021	0.3
153.01805	0.7
173.08122	0.4
179.06819	1.5
182.02934	0.3
185.04227	0.7
197.07852	7.4
203.05185	0.7
203.11852	0.4
359.13092	100.0
359.16248	4.8
360.13385	6.0
360.17282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07352	0.6
61.32175	0.6
63.85566	0.6
69.03433	1.6
70.06588	1.7
72.08151	1.6
73.02911	2.2
85.02910	4.2
86.09703	3.0
90.84612	0.7
91.81841	0.6
95.40509	0.7
97.02921	1.8
109.02919	0.6
115.05447	0.6
115.07629	1.0
117.07014	2.7
117.28563	0.8
125.05997	2.0
127.03915	1.8
137.06006	1.4
145.04987	1.5
145.06490	2.7
151.03909	5.8
153.01811	0.8
163.03888	0.8
163.07564	3.2
165.06845	0.7
173.09602	0.7
177.99054	0.7
179.06944	1.2
197.07979	10.8
198.11305	0.8
203.05353	1.5
225.09047	0.7
231.10172	0.6
253.08687	0.8
285.11130	1.1
301.12640	4.0
315.13995	0.9
359.13049	100.0
359.16907	32.2
360.13373	7.1
360.17166	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1337
Annotation	Junipediol B 8-glucoside
Peak:m/z	Relative Intensity
55.01871	4.9
57.03439	5.5
61.02919	4.9
62.92450	1.7
66.00901	1.3
69.03439	14.2
70.06595	2.8
70.30010	3.6
73.02917	5.4
81.03422	3.7
81.07091	2.1
81.57030	1.5
85.02901	39.5
91.05442	2.3
91.11588	1.6
97.02882	12.5
98.22720	2.1
98.97575	2.1
99.04443	2.8
101.19154	1.5
102.29143	1.6
103.03954	9.0
105.07049	2.2
109.02892	4.4
115.08697	1.6
117.35549	1.6
121.50759	1.5
123.08031	1.4
127.03927	22.6
128.06186	2.4
129.07066	2.3
133.06538	2.3
135.08078	2.0
137.05969	28.3
145.04953	19.7
147.08073	4.8
151.07539	18.4
156.58916	1.7
159.08054	2.5
160.05281	1.8
161.05977	100.0
162.06259	3.3
163.06018	4.9
163.07555	4.8
167.03383	2.6
171.08107	2.6
173.06096	2.2
174.06752	10.1
175.07555	41.6
175.11884	1.7
176.07874	2.5
179.07021	39.2
180.07352	2.4
181.08583	4.4
185.06036	3.4
185.28165	1.6
187.07530	4.1
189.09117	8.3
191.07065	3.3
193.08635	2.6
197.08069	16.3
199.07545	7.8
201.05440	3.9
203.07034	88.0
204.07423	3.7
215.07019	19.4
217.08597	27.5
218.08820	1.8
221.08098	23.1
227.07043	8.5
229.08673	3.4
233.08083	16.9
236.75221	1.7
241.08539	1.8
243.06512	2.0
245.08115	39.6
246.08519	3.2
257.60168	1.4
258.28564	1.4
259.09763	3.5
263.09134	35.6
263.11835	2.6
269.08127	4.4
272.28931	1.5
279.84195	1.4
287.09143	18.4
288.09290	1.9
305.10223	5.1
341.97784	1.7
359.13074	22.3
359.17468	1.6
359.19492	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1338
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
55.01864	3.2
61.78193	1.8
69.03440	3.9
69.82691	4.9
72.08148	3.5
73.02916	26.3
85.02907	7.8
86.09721	2.9
87.04469	7.3
91.05494	3.3
97.02986	1.8
115.00069	1.9
125.05997	28.3
127.03893	3.4
137.05988	3.6
141.05522	2.1
149.06013	2.1
150.00743	1.8
151.03912	95.6
151.04974	5.9
151.07510	5.1
152.04309	2.2
163.07600	1.8
179.07024	22.3
197.08093	100.0
198.08478	1.8
203.05281	3.7
301.12561	5.6
359.12869	3.5
359.16776	51.3
359.20966	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	359.1338
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
69.79004	6.2
73.02924	26.2
74.77522	1.6
83.06108	1.9
84.03782	1.8
85.02900	6.8
87.04460	2.5
96.83109	1.9
116.02023	1.7
125.06001	32.1
137.06940	1.8
141.05281	1.8
149.05931	2.5
151.03911	90.2
151.04961	4.0
151.07559	2.1
179.07034	20.7
191.78777	1.8
197.08084	100.0
198.08408	2.6
204.68057	2.0
359.16647	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	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47272	1.1
53.48544	1.0
53.68143	1.1
55.01861	1.3
69.73352	1.1
69.73692	3.7
79.05480	2.1
81.07049	3.3
83.04993	1.7
87.04467	2.8
91.05467	2.3
93.07037	2.1
95.04925	1.1
95.08598	1.2
105.07018	1.8
107.04897	1.7
107.08591	1.9
109.06498	1.8
115.05469	1.8
116.86602	1.0
119.04932	1.0
120.05192	1.1
121.06495	3.1
122.03631	2.5
137.05971	30.7
137.09569	1.7
143.04918	4.0
146.03625	3.3
147.04443	1.1
149.05986	3.0
151.03880	1.4
161.05995	19.5
165.06998	18.1
167.07022	2.8
167.08516	2.2
175.07600	5.6
179.07045	2.5
179.08543	4.8
181.06494	4.1
182.07240	7.2
188.04672	9.5
191.07018	4.0
193.06471	16.2
194.07155	1.5
194.81348	1.2
195.08067	2.5
196.08868	2.0
197.09573	5.6
199.07602	1.3
202.15849	3.2
203.07005	17.3
205.08757	1.2
206.07233	1.3
207.08035	3.7
209.05954	2.3
210.06764	15.2
211.07439	3.7
221.05966	29.4
221.09518	1.8
222.06532	2.5
223.07619	1.8
224.08307	9.0
225.09085	36.1
226.09404	1.7
227.07065	4.4
234.06721	2.7
235.07513	5.1
237.05528	2.1
237.08911	1.3
238.06216	12.4
239.06918	2.2
239.10590	5.0
249.09122	5.4
251.07057	2.9
252.07771	7.6
253.08572	52.3
254.09138	5.1
255.06551	4.3
257.11798	1.8
263.06964	1.4
267.10175	17.9
268.10471	2.2
269.08115	1.3
270.08804	7.2
274.21570	5.7
277.08569	12.9
278.09140	3.1
280.07230	2.5
285.11197	96.2
286.11536	9.6
294.08850	3.4
295.09656	11.2
299.12778	2.6
309.11191	18.5
310.11362	1.5
312.09906	1.7
325.19714	1.1
327.12244	100.0
328.12494	7.3
341.19415	5.3
359.14761	3.3
359.20322	7.1
359.24283	1.2
360.25266	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	359.1491
Annotation	Polystachyne B
Peak:m/z	Relative Intensity
55.01867	2.4
65.03942	8.1
67.05508	1.6
67.07814	0.9
69.07064	1.4
69.70303	3.5
69.70672	1.0
79.05513	1.7
81.03418	1.5
81.07058	1.1
82.04189	1.4
85.02892	1.2
88.71185	1.0
91.05482	2.0
93.03399	2.2
95.01281	1.0
95.04955	2.2
95.08604	1.1
105.07026	1.9
107.04959	6.8
110.03687	7.0
111.04475	5.5
119.04903	1.0
121.02873	17.4
121.03862	1.6
121.06527	1.9
125.05988	10.2
128.06287	1.4
129.07024	1.1
131.04971	1.7
135.04456	1.2
135.08087	2.7
144.05742	2.6
145.06479	3.3
147.08057	1.6
149.02342	6.4
151.03818	1.4
152.06210	2.4
153.05486	12.0
153.06758	1.9
155.08614	1.2
159.08101	3.5
161.06033	2.5
161.09598	3.9
162.06819	2.1
165.07071	5.5
165.08430	1.0
166.07777	1.5
167.07062	3.4
167.08582	3.9
169.06467	2.3
171.06543	1.3
171.07967	1.2
177.05498	0.9
177.07100	1.7
177.09081	1.1
178.07803	3.6
179.08548	2.5
181.04965	9.5
181.06511	5.8
182.07292	4.7
183.07983	2.0
183.98952	1.1
184.05252	1.5
186.06696	1.1
187.07501	1.6
188.08302	1.2
192.09262	1.4
193.06451	2.7
193.10254	1.1
194.07249	3.7
195.08064	8.1
196.08714	1.4
197.06006	4.6
197.09610	4.0
198.06601	1.6
199.07584	1.3
202.07819	2.2
203.08572	1.6
205.06375	1.5
206.07289	2.9
207.08112	5.2
209.06003	3.0
209.09583	3.0
210.06796	9.3
210.10355	2.6
211.07623	8.2
211.11220	1.5
212.04826	1.0
212.08302	7.0
213.09241	1.3
219.08112	2.1
220.08775	2.1
221.06064	1.9
221.09579	7.1
222.06789	3.3
222.10310	2.3
223.07559	13.6
223.11118	1.9
224.08298	8.5
225.05496	4.2
225.09056	9.4
226.06291	2.3
227.07048	7.8
227.10669	3.1
234.06799	1.2
235.07555	4.1
236.08203	2.0
237.05502	2.5
237.09123	10.2
238.06186	7.2
238.09810	10.8
239.07011	10.0
239.10663	3.7
240.07816	25.9
241.08583	6.6
248.08315	1.7
249.05339	1.7
249.09138	7.2
249.11406	1.6
250.09750	1.3
251.07059	6.9
251.10649	2.3
252.07834	6.1
252.11191	1.3
253.08621	47.8
253.12238	14.6
254.09251	6.3
254.12741	2.0
255.06569	7.4
255.10210	11.6
256.11060	1.3
257.08029	5.9
265.08710	5.8
266.05975	2.2
266.09433	8.3
267.06537	2.4
267.10098	5.6
268.07278	5.8
269.08112	10.5
270.08823	7.0
271.09576	1.2
271.13226	2.9
277.08655	1.8
278.09232	1.6
279.07028	1.2
279.10114	2.5
281.08142	9.7
281.11743	16.3
282.08920	3.5
282.12143	2.4
283.06229	2.8
283.09644	19.9
283.12769	2.3
284.10349	6.8
285.07620	1.5
285.11102	4.4
285.14600	2.3
294.08820	2.4
295.09616	4.7
297.07629	3.0
297.11206	3.8
298.08377	4.6
298.11984	4.3
299.09076	2.6
299.12720	19.2
300.10025	10.2
300.13068	2.0
301.10486	1.9
303.15878	2.1
309.11224	13.2
310.11917	5.0
311.09216	1.4
313.10699	55.4
313.14377	32.0
314.11057	4.2
314.14706	2.6
326.11465	2.8
327.12259	91.0
328.12772	12.2
328.76520	1.4
331.15390	19.5
332.15860	1.6
341.13834	34.3
342.14084	3.6
359.14905	100.0
359.19595	3.1
360.15201	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	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66791	0.5
53.03941	0.9
53.77186	0.5
55.01865	1.1
57.03424	1.5
59.04994	0.7
61.02927	2.5
64.23026	0.5
67.05492	1.1
69.03431	6.7
70.23573	0.8
70.23923	0.8
71.04993	0.9
73.02914	1.2
79.05508	1.2
81.03419	2.2
81.07049	1.1
85.02908	27.8
85.06531	0.5
87.04452	0.8
91.03954	1.3
91.05475	4.3
93.07053	7.0
95.04997	2.5
97.02896	6.7
99.04437	1.2
103.05457	0.7
103.36113	0.6
105.07030	5.1
107.08598	19.4
108.08904	0.5
109.02872	3.1
109.06514	1.3
109.10138	1.7
113.05933	0.5
115.19838	0.4
119.04990	0.5
119.08602	2.8
121.06482	2.2
123.04426	2.3
127.03907	6.0
131.08540	0.7
133.10133	20.3
134.10457	0.6
135.11699	20.7
136.12048	0.8
137.06017	1.3
137.09593	1.2
145.05000	3.6
151.11197	2.0
158.49199	0.5
161.09621	11.4
163.07552	1.2
177.06850	0.6
179.10670	39.1
180.11005	1.5
191.07001	2.5
197.11728	100.0
198.12039	4.6
208.09749	3.1
254.83679	0.5
307.28925	0.4
324.68863	0.6
359.16763	1.3
360.10458	0.6
360.14529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.66791	0.5
53.03941	0.9
53.77186	0.5
55.01865	1.1
57.03424	1.5
59.04994	0.7
61.02927	2.5
64.23026	0.5
67.05492	1.1
69.03431	6.7
70.23573	0.8
70.23923	0.8
71.04993	0.9
73.02914	1.2
79.05508	1.2
81.03419	2.2
81.07049	1.1
85.02908	27.8
85.06531	0.5
87.04452	0.8
91.03954	1.3
91.05475	4.3
93.07053	7.0
95.04997	2.5
97.02896	6.7
99.04437	1.2
103.05457	0.7
103.36113	0.6
105.07030	5.1
107.08598	19.4
108.08904	0.5
109.02872	3.1
109.06514	1.3
109.10138	1.7
113.05933	0.5
115.19838	0.4
119.04990	0.5
119.08602	2.8
121.06482	2.2
123.04426	2.3
127.03907	6.0
131.08540	0.7
133.10133	20.3
134.10457	0.6
135.11699	20.7
136.12048	0.8
137.06017	1.3
137.09593	1.2
145.05000	3.6
151.11197	2.0
158.49199	0.5
161.09621	11.4
163.07552	1.2
177.06850	0.6
179.10670	39.1
180.11005	1.5
191.07001	2.5
197.11728	100.0
198.12039	4.6
208.09749	3.1
254.83679	0.5
307.28925	0.4
324.68863	0.6
359.16763	1.3
360.10458	0.6
360.14529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2216
Annotation	4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dienyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
55.05510	3.3
57.07077	2.8
67.05500	2.0
68.99787	0.6
69.07067	4.4
71.08624	0.8
73.23935	0.5
79.05495	1.1
81.07058	2.3
83.08617	1.9
85.10191	0.6
87.07253	0.5
93.07032	0.7
95.08601	1.7
98.23269	2.7
107.08555	0.7
109.10205	0.8
121.10109	0.5
123.04459	1.2
129.15973	0.5
137.06053	0.6
139.03902	6.0
149.05991	0.7
151.03906	0.7
153.01819	29.0
154.02231	0.7
155.44177	0.6
163.03923	1.8
165.01848	1.0
171.02829	0.6
177.05435	1.0
179.03371	9.5
191.03386	2.8
191.07068	1.2
192.04189	8.1
193.04955	3.5
205.04953	35.3
206.05472	2.4
219.06566	3.8
219.10078	0.6
233.08124	1.9
239.45584	0.5
247.09665	1.8
261.11157	2.5
275.12772	3.5
289.14276	4.2
290.14523	0.6
292.41110	0.6
303.15900	5.0
317.17490	4.6
328.05179	0.5
359.22150	100.0
360.22485	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	359.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.6
55.05511	6.9
57.07075	1.1
57.38429	0.5
67.05507	9.0
69.07070	9.9
70.84953	1.0
71.08629	0.6
79.05488	2.5
81.07059	7.2
83.01343	0.6
83.08625	3.4
86.60854	0.5
91.05484	1.1
95.08609	3.8
97.10166	2.0
107.04990	0.6
109.06511	2.8
109.10145	0.7
111.11707	1.2
111.93671	0.6
121.06541	0.7
125.06021	1.7
137.05977	100.0
138.06300	3.0
149.09602	1.0
151.07541	4.6
159.02544	0.5
163.07529	8.7
177.09114	13.0
177.10571	1.1
191.10689	2.0
244.65276	0.6
252.07123	0.6
309.29895	0.6
359.21979	7.8
359.29404	6.1
359.36926	2.6
360.22482	1.2
360.29831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2946
Annotation	Bufanolide
Peak:m/z	Relative Intensity
53.03941	0.1
54.41167	0.1
54.46340	0.1
55.01868	0.2
55.05264	0.2
55.05510	2.8
57.07071	0.8
65.03926	0.4
67.05157	0.2
67.05499	1.6
68.99770	0.1
69.06718	0.2
69.07068	2.9
70.10251	0.2
70.10608	0.3
71.08613	0.4
79.01811	0.1
79.05495	1.0
81.07052	3.0
83.01334	1.7
83.08620	2.4
85.02315	0.1
91.05479	2.0
93.07041	0.2
94.04174	0.2
95.04974	0.2
95.08607	1.4
96.89655	0.1
97.10167	1.7
105.07022	0.2
107.04934	0.3
107.08597	0.3
109.06509	3.2
109.10156	0.7
111.11714	0.6
112.15834	0.1
117.06990	0.3
119.04939	0.3
121.06492	0.9
123.04360	0.2
123.11684	0.2
125.05988	0.4
125.13274	0.2
131.08543	0.4
135.08066	0.9
137.05971	100.0
138.06302	3.4
143.23102	0.1
145.06468	0.6
148.05214	0.2
149.06082	0.1
149.09618	1.4
151.07544	1.5
159.08060	0.4
162.06764	0.4
163.07535	16.7
164.07860	0.6
165.09091	0.2
173.09665	0.1
176.08418	0.1
177.09099	23.9
178.09413	0.9
179.10672	0.4
183.42661	0.1
191.10689	1.5
192.06546	0.1
193.12305	0.1
205.12302	0.1
207.13664	0.1
233.71800	0.1
263.20059	0.2
277.21487	0.2
290.41785	0.1
310.58252	0.1
359.29425	23.4
360.25430	0.2
360.29736	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	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94744	0.3
54.00596	0.3
55.05511	0.5
57.03445	0.7
61.02923	0.8
65.03939	0.5
68.05022	0.3
69.03122	0.3
69.03408	1.7
69.07067	2.0
69.76658	1.3
70.06592	0.4
71.05001	0.5
73.39117	0.3
75.35995	0.3
77.02017	0.3
78.09845	0.3
79.05492	0.9
81.03432	0.9
83.08624	0.5
85.02901	4.4
86.06082	0.7
86.09697	0.7
87.04491	0.4
91.03963	0.6
91.05502	0.4
93.07058	0.6
95.04956	0.9
95.18145	0.3
97.02898	1.5
104.18147	0.3
105.07047	0.6
107.08593	0.5
109.02885	0.5
111.08086	0.6
119.08542	0.4
121.02850	2.4
121.03989	0.3
121.10106	0.5
127.03899	1.1
133.02827	2.1
133.10107	0.5
135.04407	2.5
135.11671	0.7
145.04987	0.9
145.10133	1.6
149.02339	100.0
150.02658	3.7
158.08171	1.4
163.03902	69.1
163.11177	2.7
164.04263	3.2
167.03430	1.0
180.08626	1.1
181.04953	35.0
182.05292	0.8
197.11621	0.4
198.12013	0.6
230.13872	1.0
274.58975	0.4
294.49701	0.3
324.14987	0.3
328.21133	0.4
360.15884	1.2
360.23798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83803	0.7
53.93316	0.7
55.01867	1.1
57.03419	2.0
57.51672	0.7
68.99803	1.2
69.03423	1.6
69.09760	1.9
69.10168	2.7
70.06583	2.7
79.05489	1.4
81.07057	1.2
83.01332	0.8
85.02886	2.0
91.05471	1.6
93.07053	1.0
95.04955	1.9
95.08614	0.6
97.02859	0.7
103.05445	2.2
105.07042	1.8
107.04967	4.4
107.08540	0.7
115.74454	0.7
116.73203	0.7
117.07017	2.3
119.04955	1.5
121.06486	2.7
123.04438	18.8
127.03902	1.3
131.04944	4.6
133.06525	0.6
135.04430	1.8
135.08054	8.5
136.07523	1.9
137.05972	2.1
138.06714	1.2
139.07547	24.3
145.04977	1.4
145.06509	2.1
147.04413	6.5
148.05118	1.5
149.05992	2.6
151.03926	1.0
161.05991	1.3
163.03920	1.5
163.07547	16.8
164.07869	0.9
165.05475	2.4
173.06024	5.8
175.07628	0.9
179.07011	3.9
181.08594	100.0
182.08911	4.0
185.05962	1.0
186.20779	0.7
187.07530	0.8
190.08604	9.6
191.07036	52.5
192.07335	2.4
192.96513	0.7
203.07074	2.8
208.09692	91.2
209.09955	4.9
220.09703	1.7
325.10657	4.5
342.13190	3.4
343.11639	1.6
360.14410	30.0
361.14798	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	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.8
56.27963	1.2
57.03428	8.2
61.02923	4.6
69.03432	32.7
71.01347	1.1
72.26569	1.1
73.02924	5.7
76.48578	1.1
81.03409	2.9
85.02905	100.0
86.03222	1.6
91.03949	1.5
95.06081	12.0
97.02898	36.9
99.04460	8.6
101.02346	5.7
109.02892	3.8
112.43395	1.1
115.03940	2.8
127.03918	74.4
128.04262	2.0
145.04959	59.4
146.05315	1.9
163.06027	19.0
180.08665	4.3
199.38608	1.1
248.14810	1.3
269.77777	1.4
302.17172	1.2
316.18723	5.4
324.26297	1.3
370.88257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01865	1.6
57.03446	3.3
61.02920	3.0
67.05497	0.8
69.03429	10.8
69.70911	2.3
71.04991	1.5
73.02900	1.5
79.05492	0.8
81.03416	3.3
85.02905	45.2
91.03954	1.8
91.05489	0.9
95.04968	34.5
96.05288	0.8
97.02895	10.1
99.04437	1.8
107.04977	1.1
109.02856	3.4
115.03911	0.7
121.02901	4.6
127.03921	9.6
130.89424	0.7
137.05995	0.9
139.03897	73.5
140.04219	1.4
145.04953	11.4
163.06042	2.4
163.07523	30.6
164.07990	0.7
180.08580	1.2
181.08594	100.0
182.08957	5.6
238.37433	0.6
325.12692	2.2
343.13837	2.0
360.25516	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	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
57.30888	0.3
69.03417	0.3
69.36193	0.6
69.36604	0.8
79.05474	0.3
85.02894	1.0
97.02878	0.4
103.05441	0.4
105.07021	0.6
107.04948	3.3
117.07063	0.3
121.06528	0.8
123.04415	0.4
124.05227	0.3
127.03843	0.3
135.08052	5.3
138.06763	1.1
139.07536	22.4
140.07843	0.7
143.58160	0.3
145.04863	0.5
148.05190	1.1
156.20645	0.3
163.07549	3.7
164.07863	0.3
181.08588	100.0
182.08952	4.6
189.93285	0.2
191.07025	0.7
206.59679	0.3
208.09700	0.8
221.97926	0.2
284.13074	0.3
360.14154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.2
63.62599	0.4
64.84326	0.4
66.94944	0.4
68.85661	0.5
68.99775	0.7
69.03413	0.8
69.49162	1.7
70.06581	0.6
79.05482	0.9
83.01347	0.6
85.02889	1.3
91.05479	0.7
93.07030	0.6
95.04942	1.1
95.08603	0.5
103.05466	0.7
105.07014	0.7
107.04945	5.0
107.79679	0.5
117.07012	2.3
119.04941	1.5
121.06522	2.4
123.04424	11.6
131.04913	1.0
135.04391	1.0
135.08052	6.3
136.07576	0.9
136.59657	0.5
137.05919	1.0
138.06731	1.0
139.03944	0.7
139.07532	22.2
140.07877	0.8
145.06500	1.7
147.04401	3.8
148.05180	1.0
149.05948	1.9
151.03947	1.1
157.06401	0.6
158.37332	0.4
161.06020	0.6
163.07533	9.6
164.07916	0.6
165.05441	2.3
167.07080	0.4
173.05998	3.4
175.07692	0.5
179.07048	3.0
181.08591	100.0
182.08931	3.9
185.06067	0.6
189.05412	0.5
190.08629	6.1
191.07021	30.0
192.07370	1.6
203.07011	1.4
206.77582	0.5
208.09682	54.1
209.09995	2.8
220.09612	1.4
325.10632	2.5
342.13443	2.6
343.11639	1.1
360.14410	18.7
361.14783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.5
56.96563	0.9
57.03429	1.0
60.04520	1.2
61.02909	3.0
67.05514	0.7
69.03429	8.0
71.04979	1.1
71.20689	0.7
71.21056	0.6
73.02917	1.7
79.05480	1.1
81.03410	2.1
82.89252	0.8
85.02906	34.5
86.03210	0.9
87.04470	1.3
89.65984	0.7
91.03954	0.9
91.05479	12.8
93.07027	0.7
95.08508	0.7
96.57965	0.7
97.02895	9.0
98.97559	0.9
99.04446	1.0
102.01659	0.7
105.07029	1.2
106.23302	0.9
107.04944	2.3
107.46997	0.7
109.02882	2.5
119.08556	1.2
121.10037	0.9
123.04424	2.3
127.03913	10.5
135.04417	39.9
135.08029	1.3
136.04727	1.1
137.05978	0.9
138.07858	1.7
139.03935	0.7
139.07523	2.4
145.04955	14.6
145.06340	1.0
147.04364	1.5
149.06007	0.9
153.10252	0.8
161.05969	0.8
163.06036	3.3
163.07527	27.4
164.07951	1.1
165.02486	0.7
165.09111	1.1
180.08675	2.0
181.08580	100.0
182.08931	3.9
191.06996	3.1
198.12038	1.1
199.06439	4.6
199.10779	8.3
208.09746	4.5
212.02716	0.7
217.07358	4.0
241.07524	1.6
322.49484	0.8
325.12747	1.4
342.22955	1.0
360.05530	5.1
360.10208	1.5
360.14581	2.3
361.12100	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	360.2172
Annotation	Comosivine
Peak:m/z	Relative Intensity
55.05507	0.9
55.83146	0.6
57.03411	1.0
59.04974	0.8
62.41062	0.6
62.70341	0.6
62.86416	0.6
67.05489	1.2
68.04999	1.6
69.03406	0.8
69.07041	1.4
69.87646	1.6
71.04978	0.7
80.04992	1.9
81.07028	1.9
82.06567	1.0
83.08607	0.6
85.02883	1.1
86.06033	1.2
89.47105	0.6
91.05486	4.5
93.07049	4.4
94.07379	0.7
95.04971	7.5
95.08580	2.2
96.08098	1.3
97.02879	0.7
98.06037	1.4
103.05441	1.3
105.06990	1.7
107.04954	4.7
107.08551	2.9
108.08122	14.0
109.06490	1.0
110.09638	1.8
119.04183	1.1
119.04951	15.7
119.08521	1.1
121.06532	3.4
121.10115	1.1
122.09665	7.7
123.04432	29.9
123.10445	1.2
123.11750	0.8
124.04754	0.7
124.11230	1.0
127.03857	0.7
130.07767	0.8
132.06520	1.4
133.10129	1.8
134.09612	0.7
135.11656	2.4
136.07600	1.5
136.11206	1.7
138.05472	0.7
145.10115	4.2
146.05980	1.3
147.03291	1.3
147.04407	14.0
148.07600	2.1
150.12778	16.2
151.13623	5.2
152.14351	45.7
153.05489	0.7
153.14676	1.3
163.07504	1.0
163.11160	3.4
165.05504	9.7
166.05841	0.9
166.08617	0.6
180.10165	2.2
181.08540	2.0
181.12181	1.5
181.24753	0.6
186.11299	2.2
192.13911	0.8
196.16978	1.8
219.13333	0.6
244.09721	2.7
262.10724	2.4
270.18567	1.2
284.18613	1.7
316.19070	100.0
317.19440	8.1
345.06155	0.8
360.21686	90.6
361.09241	1.8
361.21960	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.2
55.05508	49.8
57.03440	11.8
59.05003	28.5
62.67602	2.0
65.03928	5.2
66.56578	2.1
67.05505	100.0
67.05869	4.9
69.03435	11.0
69.07068	94.0
70.04215	3.2
71.01350	7.4
71.04993	73.1
73.02919	7.3
73.06580	2.6
77.03874	2.9
77.80100	2.1
79.05492	78.8
81.03417	18.7
81.07056	64.6
83.04980	9.2
83.08623	24.7
84.02122	9.0
84.12276	2.4
85.02898	4.3
85.06548	9.2
86.30330	2.1
87.08123	5.1
88.24031	2.6
91.05479	47.7
93.06458	3.6
93.07046	65.6
93.07610	4.6
95.04967	30.8
95.08606	31.6
97.06532	64.4
97.10168	37.4
97.76601	2.4
98.06885	3.0
98.23438	5.5
99.04469	2.5
103.05502	3.0
105.04534	4.0
105.07041	28.7
107.04973	9.0
107.08592	48.6
109.06522	14.1
109.10164	34.7
111.08064	7.0
113.05962	4.1
115.07577	40.4
117.07029	9.8
117.80132	2.4
119.08585	20.5
121.06557	4.2
121.10138	40.7
123.08058	7.5
123.11729	4.9
125.09631	26.3
129.07004	3.2
131.07024	4.2
131.08597	11.3
133.06512	3.9
133.10138	18.4
135.08084	6.0
135.11763	6.7
137.09631	6.2
140.32426	2.3
141.07115	2.3
142.07822	2.4
143.08543	3.4
145.10130	10.7
147.11710	7.7
149.09642	7.9
149.13261	4.8
151.11206	2.6
153.12755	24.3
155.10677	6.9
157.10173	3.0
159.11714	7.7
161.13316	6.3
163.11246	4.2
171.10225	3.1
171.11632	2.9
173.11737	49.1
173.13219	3.3
175.11203	2.7
177.12752	3.8
187.11154	2.9
189.11195	24.7
194.12985	17.6
195.13773	3.8
223.13263	6.7
237.14857	3.9
257.19110	3.1
273.18604	4.7
275.20029	32.5
291.19519	3.0
293.21262	2.3
349.66278	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01871	8.4
55.05510	66.0
57.03433	7.5
59.05000	26.7
59.90742	3.4
65.03944	4.1
67.05505	81.4
69.03445	7.8
69.07070	83.6
71.04992	100.0
73.06538	7.9
78.55305	3.3
79.05487	83.2
81.03414	12.2
81.07058	50.1
83.04985	8.0
83.08614	33.7
85.06544	8.8
87.08140	3.0
91.05476	36.9
93.07035	72.5
95.04961	18.1
95.08598	34.8
96.10217	2.9
97.06524	39.7
97.10173	53.0
97.10768	6.0
99.08108	5.8
105.07022	28.4
105.74418	3.0
107.04931	7.4
107.08594	54.2
109.06519	18.7
109.10149	46.3
111.08077	10.2
113.06008	5.1
115.07561	7.4
117.07030	9.3
119.08582	23.5
121.06514	4.3
121.10151	56.9
123.04456	5.1
123.08102	6.0
123.11680	5.4
125.09641	38.7
127.07567	3.9
131.08588	13.1
133.10123	17.4
135.08054	11.3
135.11708	7.1
137.09622	9.0
143.08517	4.4
145.10132	10.0
147.08058	4.0
147.11617	6.1
148.45761	3.3
149.09590	10.0
149.13293	4.6
153.09013	4.0
153.12730	51.4
155.10696	12.7
159.11627	5.4
161.13300	4.7
163.11212	9.0
171.11731	5.0
173.11748	92.8
173.13249	6.3
177.12825	8.7
189.11235	32.1
223.13283	6.8
227.16405	10.5
237.14763	3.7
257.18839	4.6
273.18521	8.8
275.20065	45.6
293.20865	5.1
307.22745	5.6
360.24814	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69180	32.2
67.05508	73.1
69.07060	38.5
71.04985	100.0
75.50127	34.7
79.05492	63.7
81.07059	58.0
91.05495	32.5
93.07112	34.1
95.08646	35.0
104.99284	54.7
105.06968	40.0
121.10114	61.7
141.10265	38.8
173.11758	99.7
223.35617	32.7
275.20114	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	32.1
59.04996	8.1
61.65855	3.8
67.05504	59.2
69.07072	33.4
71.04991	69.0
79.05492	69.1
81.03431	5.4
81.07047	35.3
81.59489	3.9
83.08629	23.2
84.37290	4.0
85.06545	6.0
87.08109	4.1
91.05486	23.3
93.07047	73.6
95.08616	28.4
97.06543	13.9
97.10137	28.4
105.07007	20.5
105.40456	4.0
107.08595	46.6
109.10151	50.1
117.07017	3.7
119.08585	15.8
121.10148	73.4
123.11736	6.3
124.76235	3.6
125.09609	21.2
131.08516	4.9
131.34193	4.5
133.10129	9.6
135.08080	5.1
136.29138	4.0
137.09644	6.3
145.10132	7.7
147.11691	7.1
149.09604	7.9
153.12727	56.5
155.10658	27.1
161.13182	5.5
171.10135	4.4
173.11722	100.0
174.12071	4.5
189.11232	35.4
227.16426	4.0
257.19067	8.7
275.20032	59.1
276.20334	4.5
293.21198	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	360.2898
Annotation	Methyl homodaphniphyllate
Peak:m/z	Relative Intensity
53.91240	0.9
55.01855	1.2
55.05507	12.8
57.07080	2.1
65.23225	0.8
67.05504	3.2
68.54745	0.8
68.99788	2.7
69.07072	10.4
69.48203	0.8
69.58178	1.7
69.58540	3.1
70.06590	22.6
77.51339	0.9
77.64845	0.8
79.05502	1.5
81.07059	3.4
83.08184	0.9
83.08611	4.9
91.05468	1.1
93.07055	1.1
95.08593	5.0
97.10155	2.1
98.97587	1.0
104.99265	2.6
107.04974	2.6
109.06519	1.1
109.10116	2.0
117.07005	1.1
119.08565	1.7
121.06499	2.8
123.04448	4.7
135.08067	4.6
137.05986	8.9
145.06496	1.4
147.04370	2.3
147.08075	2.4
149.05969	19.7
149.09624	2.5
151.07581	2.4
157.06419	4.7
159.08057	6.4
161.05971	5.2
161.09689	1.0
163.07539	30.1
164.07977	1.1
175.07527	14.9
177.09097	28.1
185.09602	1.0
189.09125	3.7
191.10683	3.1
199.11211	1.7
203.10637	3.7
217.12144	2.0
273.14810	1.1
278.95465	1.6
301.21756	2.0
342.27875	5.0
343.26205	13.1
344.26675	1.5
360.28958	100.0
361.23618	2.6
361.29379	9.4
377.59442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2898
Annotation	Methyl homodaphniphyllate
Peak:m/z	Relative Intensity
53.03933	0.4
55.01868	0.8
55.05509	11.4
55.36456	0.3
57.03428	0.4
57.07063	1.7
65.03934	0.4
67.05499	4.7
69.03419	0.6
69.06715	0.6
69.07063	7.9
69.56123	1.5
70.06588	7.1
71.08614	0.7
71.37805	0.3
76.13132	0.3
77.12573	0.4
78.58934	0.3
79.05481	1.1
80.94871	0.6
81.07054	5.0
83.08616	3.0
91.04971	0.4
91.05464	2.8
93.07038	1.0
95.04955	3.4
95.08591	3.5
97.10162	1.8
98.22750	0.8
98.97430	0.3
104.99252	1.2
105.07031	0.5
107.04914	1.8
107.08559	0.6
109.06509	0.5
109.10114	1.8
115.05431	0.4
115.07619	0.4
117.07018	1.1
119.08586	1.6
120.96600	0.3
121.06499	1.9
121.10120	0.4
123.04412	2.7
123.11678	1.2
129.07002	1.9
131.04959	0.3
131.08565	1.6
133.06476	1.5
135.04398	2.8
135.08043	1.4
137.05975	11.4
138.06317	0.6
145.06468	1.2
145.10129	0.5
147.04420	4.3
147.08041	5.9
149.05978	8.8
149.09602	0.4
151.07526	2.4
157.06496	3.8
159.07999	3.2
160.05191	5.5
161.05989	3.1
161.09619	0.9
163.07523	9.1
165.09117	0.8
174.09137	0.7
175.07536	53.0
176.07867	2.2
177.09099	13.3
178.09407	0.7
185.09584	0.7
189.09131	2.4
191.10637	1.4
199.11232	0.4
203.10655	1.8
205.12219	0.7
217.12227	2.2
231.13777	0.5
234.99498	0.4
259.17072	0.5
272.76520	0.3
278.95538	0.5
301.21478	0.8
306.89966	0.3
331.26291	0.3
342.27905	1.6
343.26288	11.1
344.26599	1.1
360.28925	100.0
361.29294	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	360.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05289	1.0
55.05511	9.3
57.07059	2.2
59.94983	0.7
60.38669	0.7
62.24908	0.7
66.27488	0.7
67.05502	5.4
69.07053	2.0
70.06592	40.7
71.04971	1.0
71.08633	5.2
72.08154	100.0
73.08482	1.3
79.00647	0.7
79.05486	2.7
81.07053	5.7
83.08633	1.3
85.06564	1.4
91.05481	2.2
93.07041	3.0
95.04965	5.0
95.08609	5.9
97.06539	1.9
98.06058	22.3
99.08094	2.6
103.76952	0.8
104.99269	3.6
105.07043	3.0
105.87578	0.8
107.08588	3.8
109.06508	7.6
109.10151	2.4
112.00549	1.0
114.09171	1.0
115.11180	0.9
119.08575	2.7
121.06576	1.2
121.10136	1.8
123.08061	1.0
126.09145	2.2
131.08569	1.9
133.10133	3.3
137.09584	1.1
140.10748	5.3
140.33069	0.8
145.10188	1.0
149.09590	0.9
149.13278	1.2
153.05504	1.6
154.12250	2.2
163.11250	0.9
165.12750	31.5
168.13814	2.0
173.11789	1.3
173.13206	1.8
175.11264	2.1
179.07097	2.0
191.14264	1.3
193.08643	2.4
201.12828	1.2
208.17012	5.9
210.18369	0.9
215.14415	0.8
219.83772	0.8
221.70299	0.8
229.19511	1.7
238.17979	4.5
239.18250	1.0
246.18472	4.2
262.21661	16.5
263.22110	1.5
271.20535	1.4
289.21729	1.4
337.20218	1.0
342.27820	4.0
360.28934	40.4
361.19635	1.8
361.23685	2.8
361.29117	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	361.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	1.6
71.44386	1.0
72.08131	0.9
79.40799	0.9
83.96056	0.8
85.02907	2.9
86.09725	1.1
88.81104	0.8
98.98475	1.3
123.50957	0.9
127.03880	1.7
137.05994	1.4
141.97079	0.9
156.38092	0.9
163.43736	0.9
172.10858	1.0
181.04913	1.2
185.04283	2.7
199.05768	100.0
200.06107	2.9
202.20016	0.9
259.07806	1.8
275.11105	1.3
286.31247	0.9
317.12082	9.5
361.11008	62.3
361.14685	11.7
361.20749	3.1
362.11319	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	361.113
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.03944	1.7
53.20108	1.3
55.01862	2.3
56.37134	1.8
56.80970	1.4
57.03437	2.1
69.03436	4.7
73.02933	1.5
77.03945	1.9
79.05495	6.6
81.03417	2.6
83.71597	1.4
85.02905	22.0
86.03258	1.9
91.03938	1.9
91.05483	3.2
93.07028	2.5
95.04990	9.5
96.66446	1.4
97.02882	5.5
98.03237	1.3
98.98483	1.9
103.03918	2.5
107.04952	3.7
110.03680	1.6
119.04935	3.1
121.06477	3.6
123.04420	6.3
125.02361	3.3
125.06031	2.5
127.03923	5.7
128.04314	2.3
131.04959	5.4
137.05981	37.3
138.03163	7.2
140.04680	26.8
145.04947	7.7
147.04393	2.6
147.08105	1.7
148.04375	1.5
149.02293	1.9
149.06039	1.4
150.03145	2.3
151.03807	1.9
153.05492	6.5
155.06998	13.4
159.04460	7.3
163.06084	1.7
165.05464	13.0
166.02646	7.2
167.07056	14.3
168.87810	1.8
175.03854	2.5
176.04642	1.8
177.01717	3.1
177.05501	4.1
179.03348	2.0
180.08640	1.5
181.04948	100.0
182.05315	2.9
183.06544	10.9
187.03899	4.5
190.02676	2.2
191.03363	8.8
193.04994	3.7
194.02187	3.7
195.02913	9.5
197.04387	2.2
199.06017	20.6
199.09566	7.5
204.04295	1.8
205.05013	8.9
207.02971	2.8
207.06454	2.6
209.04460	64.4
210.04707	2.5
211.06093	5.0
215.03398	3.8
219.06587	4.4
221.04463	2.0
233.04448	26.6
235.06023	2.8
237.04190	2.6
241.07106	2.9
245.04588	1.9
247.06003	10.1
251.05414	2.9
255.05296	2.8
263.05515	12.0
265.07068	3.9
275.05499	15.4
277.07043	3.7
293.06595	4.0
301.05887	2.7
307.90970	1.5
361.14859	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	361.113
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.03940	2.7
55.01862	2.4
61.02946	1.5
65.03947	1.7
67.05505	1.5
69.03426	2.2
75.99992	1.0
76.55646	1.1
77.03923	2.6
79.05492	7.9
81.03410	2.7
81.07050	2.3
85.02923	5.9
91.05479	5.0
93.07043	12.2
95.04965	25.2
97.02882	2.3
105.04511	3.5
107.04979	1.8
110.03656	1.3
110.52366	1.1
111.04452	1.8
111.08056	1.5
121.06508	18.9
123.04433	16.6
123.08078	6.9
125.02348	5.9
127.03951	1.9
137.05972	32.5
139.07538	13.8
140.04684	95.7
141.05095	1.1
145.05011	1.6
145.06448	1.3
149.05968	8.4
151.07564	3.1
153.05371	1.5
155.07031	36.6
163.07590	1.8
167.07037	100.0
168.07362	3.6
173.08095	1.5
181.04964	8.8
181.08633	1.9
185.08029	1.7
199.06015	61.1
199.09645	30.0
200.06252	2.2
200.09995	1.3
299.08203	1.1
361.14600	2.2
384.72708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1129
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
52.03151	0.6
53.03940	1.0
53.50414	0.5
55.01868	1.1
56.40269	0.4
60.41323	0.5
61.02917	1.2
65.03944	4.5
67.05497	2.6
67.95440	0.5
68.99780	0.7
69.03429	1.6
69.50869	1.6
72.08128	0.5
79.01903	0.5
79.05505	1.0
81.03445	0.5
85.02916	4.3
91.05463	0.7
93.03403	2.5
95.04968	36.1
96.05315	0.6
97.02888	1.9
98.98441	1.2
107.01321	1.5
107.04927	0.7
109.02882	0.7
109.06516	0.9
110.03633	1.7
111.04430	5.0
119.08630	0.6
121.02834	1.0
123.04424	17.1
123.05271	1.2
125.02352	9.2
125.06024	3.9
127.03958	0.9
131.03758	0.5
137.02330	0.5
137.05981	10.7
138.03059	0.8
139.03886	6.5
140.04681	100.0
141.05505	6.8
145.05000	0.9
149.02376	2.1
151.03952	1.2
152.07735	0.6
153.05470	7.9
154.05827	0.6
155.07027	41.4
156.07394	1.4
163.07530	0.7
165.05461	1.6
165.09116	1.2
166.02646	1.1
167.07056	1.4
171.06474	1.3
181.04948	24.8
182.05292	1.0
183.06509	7.0
183.10106	0.7
187.82397	0.6
195.35817	0.6
198.28795	0.5
199.06012	94.1
200.06296	3.4
226.90050	0.5
325.57031	0.6
352.09259	0.6
361.14404	5.8
361.18295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1131
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
51.22060	0.6
53.03956	1.2
55.01864	2.1
57.03434	0.8
65.03945	3.4
67.05500	2.1
67.22741	0.7
69.03429	4.1
69.13801	2.6
69.14205	1.8
75.53755	0.6
77.03924	1.2
79.53962	0.7
81.03417	0.8
85.02912	7.3
86.03217	2.2
91.05430	0.7
93.03410	1.1
94.18698	0.7
95.04971	24.0
97.02882	3.7
98.03210	1.0
98.97600	0.8
105.04536	3.3
109.06495	1.7
110.03673	1.0
111.04444	2.2
121.02866	1.7
123.04437	22.0
125.02340	7.4
127.03894	2.9
128.04218	1.8
137.05975	17.2
139.03923	1.4
140.04681	100.0
141.04979	2.4
145.04973	2.4
146.05353	1.7
153.05449	1.7
155.07027	41.3
156.07288	0.8
163.05928	0.7
165.05482	27.0
166.02652	1.2
167.03412	2.2
167.07082	4.0
173.08107	3.2
181.04971	10.8
183.06538	17.2
199.06004	75.0
199.09514	2.3
200.06349	2.0
205.04955	0.9
249.60280	0.7
303.93381	0.7
361.11002	1.6
361.14798	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	361.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32932	0.9
51.02383	1.0
53.03937	2.3
55.01871	2.2
56.11736	0.8
57.03427	0.9
61.02940	1.5
65.03939	0.9
65.24719	0.8
66.18481	0.8
67.05497	2.6
69.03411	1.7
69.56726	2.7
69.57104	1.6
77.03943	1.8
79.05496	7.8
81.03425	4.8
81.07037	2.2
85.02911	5.9
86.20410	0.8
91.05466	4.0
93.06517	1.4
93.07048	13.5
95.04971	20.0
97.02855	2.4
98.23421	1.2
105.04520	2.6
107.04957	1.7
111.04440	1.0
121.06512	20.6
122.03703	1.4
123.04443	14.8
123.08086	7.2
125.02361	6.0
137.05986	32.8
137.07019	2.0
139.07553	14.3
140.04683	67.4
141.05086	1.9
145.04927	1.9
149.02303	1.3
149.05989	7.6
151.07564	1.9
153.93196	1.0
155.07030	31.5
163.07446	1.1
167.07045	100.0
168.07368	4.0
173.08147	1.6
177.09169	1.1
181.04968	7.9
181.08583	2.2
185.08020	2.1
199.06024	47.7
199.09656	29.7
200.06375	1.4
200.10143	1.2
311.46548	1.1
311.51364	0.8
361.14252	1.2
373.62408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.63369	0.5
53.97395	0.4
55.01873	1.5
55.05531	0.7
67.05499	1.2
69.03430	1.3
69.62447	2.3
77.03934	0.8
79.05500	8.4
81.03420	2.2
81.07035	1.9
85.02900	3.8
86.81269	0.6
91.05492	4.5
93.07053	14.8
95.04979	4.7
95.08613	0.7
97.02905	1.8
97.06538	1.2
98.22700	0.5
103.05464	1.0
105.04496	0.9
105.07020	0.6
107.04964	1.4
109.06488	0.6
111.04491	0.8
111.08092	1.0
121.06517	20.4
122.06831	0.6
123.04441	1.4
123.08070	7.1
125.02365	0.8
137.05995	12.1
139.07553	16.5
140.04700	3.7
149.05977	8.9
151.07582	0.9
155.07036	1.9
167.07047	100.0
168.07390	4.5
181.05019	0.9
181.08626	0.7
183.06564	0.9
185.08130	1.7
199.06013	4.3
199.09674	28.2
200.09921	0.9
339.05353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70242	0.4
69.46359	1.6
89.06021	0.9
91.05473	0.8
93.07020	0.8
104.99252	0.6
121.06506	1.5
122.06879	0.8
135.06459	0.4
137.05995	0.4
143.17358	0.5
151.07564	1.4
249.10936	1.0
272.10883	0.4
361.23495	100.0
362.23825	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	361.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	19.8
55.05506	6.2
57.03412	0.8
57.07051	0.6
65.03927	1.0
67.05502	13.9
69.03422	0.7
69.07069	6.0
69.72804	1.1
69.73191	1.6
71.04984	0.8
71.08654	0.6
75.66020	0.6
79.05486	9.2
81.07057	11.3
83.04978	2.3
83.08611	2.6
83.52656	0.8
85.06538	0.8
91.05468	2.9
93.07040	9.1
95.04951	1.5
95.08612	13.5
97.06527	17.8
97.10125	0.8
98.23232	1.7
99.08055	0.7
104.99271	1.6
105.07002	1.3
107.04951	5.0
107.08591	5.1
109.06521	1.4
109.10146	8.6
110.10457	0.7
111.08049	1.6
115.05418	0.8
117.06997	1.6
119.08624	1.1
121.06505	1.7
121.10112	3.6
123.04443	0.8
123.08041	1.0
125.05946	1.0
125.09612	1.5
131.08528	1.2
133.06503	0.9
133.10072	0.7
135.08035	2.2
135.11678	1.7
137.05974	100.0
138.06320	2.1
139.07533	7.1
144.05580	0.7
145.10124	1.3
149.05952	2.6
149.09612	1.2
151.07579	3.0
152.63507	0.6
153.05476	1.6
155.87601	0.5
160.05174	0.8
161.05968	2.7
163.07536	16.0
163.14801	0.9
165.05475	3.6
167.07059	1.8
174.06721	0.7
175.07532	10.4
176.04695	0.6
177.05476	17.8
177.09074	5.4
177.16321	0.7
179.07063	6.1
183.06578	1.9
187.07581	3.0
187.14803	1.3
189.09109	5.1
191.07014	9.7
191.10657	1.2
192.07347	0.6
193.08577	4.3
195.06529	19.4
196.06898	0.7
196.94255	0.6
201.09126	1.2
203.06979	3.6
203.10696	1.2
213.09090	1.2
214.09813	0.6
215.10655	0.8
217.12219	0.8
223.16966	2.2
227.10689	2.6
229.12271	3.6
235.09628	0.8
240.11226	0.8
245.15326	6.1
255.13814	22.4
256.14093	1.9
273.14832	31.5
274.15186	2.3
278.95483	0.8
291.15884	15.2
292.16232	1.5
319.22595	1.7
343.22540	1.3
361.23709	35.4
362.23868	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	361.2372
Annotation	Chimonanthidine
Peak:m/z	Relative Intensity
54.20861	0.6
55.01866	2.3
55.05504	2.5
57.07076	4.9
65.03922	1.1
67.05510	4.6
68.99802	1.2
69.03397	0.7
69.07072	3.9
71.08624	1.1
74.09715	4.1
78.16610	0.6
79.05479	2.8
81.07050	6.1
83.08618	1.8
88.07624	1.3
90.08826	0.6
91.05475	2.6
93.07037	1.6
95.04942	1.3
95.08611	4.8
97.06542	1.1
97.10133	1.4
103.05447	0.7
104.99274	3.8
105.07031	4.3
107.04969	3.9
107.08624	0.8
109.02937	0.7
109.06546	1.0
109.10149	1.9
110.03645	2.0
115.05457	3.1
117.07000	1.6
119.04944	6.0
119.08547	1.1
121.10143	1.0
123.04376	1.1
123.11691	0.8
125.05995	11.6
129.07083	0.7
131.04912	1.6
133.06497	8.7
137.05916	0.9
137.09618	0.7
143.04939	1.0
145.06456	2.3
147.04402	16.6
147.08047	1.2
149.02386	0.9
149.05943	2.6
151.07550	1.2
153.05461	42.7
154.05801	1.0
157.10085	0.7
159.04393	7.6
159.08014	0.8
160.05127	1.0
161.05978	36.4
162.06395	0.8
163.07588	3.1
165.05531	1.7
165.12733	3.2
167.07069	1.4
173.05963	3.9
173.09779	0.8
175.07523	5.2
177.05492	3.0
177.09154	1.2
178.06187	1.5
179.07028	54.6
180.07321	2.0
185.09557	1.2
187.07529	1.5
189.09132	1.3
191.06990	4.4
191.10587	0.8
192.07761	1.3
193.04912	2.4
193.08597	100.0
194.08922	4.8
195.06502	7.2
203.06927	1.0
203.10632	1.8
205.08588	8.1
206.09259	0.7
207.10133	4.6
215.10596	0.7
217.08632	1.1
217.12242	1.0
219.10231	4.6
221.08067	7.2
221.11664	0.8
221.15610	0.6
223.13254	1.0
233.11707	0.9
235.09641	28.2
236.09967	1.8
249.11206	0.9
251.06407	0.7
264.23233	0.9
265.14273	0.9
269.19113	1.2
273.22125	0.8
278.95364	0.8
285.18466	2.7
287.19992	3.4
294.20560	0.6
301.21561	4.9
304.20346	3.5
317.21146	6.7
318.21744	2.3
319.22653	34.1
320.22916	2.5
343.22733	5.4
347.02631	0.7
361.19751	0.8
361.23685	10.6
361.28873	5.0
361.79007	1.0
362.23724	1.6
362.30643	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2737
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
53.60527	0.5
55.05510	1.6
57.07066	3.0
67.05513	3.2
67.58405	0.5
68.99805	1.3
69.03415	0.7
69.07068	2.4
69.10306	1.2
69.10725	2.2
71.04984	0.7
71.08604	0.7
79.05493	1.3
81.07056	2.8
83.08597	1.2
85.02901	9.4
91.05476	1.0
93.07021	1.5
95.08604	2.7
99.87028	0.5
105.07031	0.5
107.08578	0.6
108.44666	0.4
109.10137	1.1
111.04420	1.5
119.08546	1.0
121.06489	0.8
121.10168	0.5
124.05218	6.3
125.05975	1.7
129.01840	7.1
134.84732	0.5
137.05975	17.7
138.06760	0.8
151.07587	2.0
152.30962	0.5
163.07533	0.5
179.07066	2.1
179.10713	0.7
185.08076	3.7
193.08611	0.7
207.13788	1.3
221.15347	2.1
234.38432	0.5
235.16972	1.9
249.18517	2.9
263.17490	0.5
263.19901	2.8
265.63855	0.7
275.20004	0.6
277.18094	1.4
277.21674	1.1
291.19485	0.8
305.21094	1.1
319.23007	0.9
319.26294	21.0
320.26654	2.0
361.27356	100.0
362.27618	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	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86670	0.5
54.27412	0.4
54.55510	0.4
57.03428	1.2
61.02937	1.0
62.19514	0.4
67.05492	0.9
68.99799	0.7
69.03424	2.6
70.31834	0.8
74.67421	0.4
79.05485	0.6
79.66765	0.4
81.03430	0.6
81.07035	1.2
85.02905	7.2
85.71066	0.4
91.03935	0.4
91.05487	1.0
95.04965	1.8
96.05300	0.8
97.02897	1.8
98.98418	0.5
109.06526	2.4
122.40327	0.4
123.04429	19.2
124.04734	1.5
125.02364	0.6
127.03918	1.4
137.05975	60.2
138.05406	0.9
138.06329	1.6
140.04683	6.0
140.20770	0.4
141.05009	4.6
145.04977	1.7
145.28377	0.5
151.29713	0.4
155.07008	2.8
156.07390	2.4
165.05475	100.0
166.04797	1.2
166.05821	2.9
180.06551	0.8
180.08678	0.8
182.05258	0.5
183.06529	59.2
184.05986	1.5
184.07024	0.8
199.06006	2.7
200.06314	4.3
208.06006	0.8
249.07622	0.5
348.08371	0.5
362.15030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01867	1.6
57.03437	2.5
61.02924	6.3
69.03428	11.1
71.04991	1.3
73.02901	2.2
81.03405	4.6
83.01346	0.7
85.02904	50.9
87.04472	1.0
91.03939	3.3
93.07011	0.8
94.28707	0.6
95.05014	0.7
97.02898	13.2
98.37376	0.6
98.98466	1.1
99.04453	2.4
100.82726	0.6
107.04971	0.7
109.02889	4.3
122.03629	0.9
127.03912	10.4
137.05974	100.0
138.06296	4.3
145.04956	17.0
163.06035	3.1
165.05464	1.9
167.06970	1.5
168.07347	0.9
180.08675	4.8
183.06522	32.4
184.06853	0.8
200.06357	1.1
200.09196	2.0
203.06963	1.3
249.07582	0.8
363.06635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27228	0.8
55.01873	0.7
57.03428	0.9
60.04527	3.5
61.02929	1.3
62.62715	0.7
63.24684	0.7
67.84193	0.7
69.03434	4.9
70.94974	0.9
73.02903	1.2
79.05492	4.3
81.03415	1.8
82.57371	0.7
85.02409	1.6
85.02904	23.3
91.05468	4.9
93.07037	3.0
95.04954	2.5
97.02863	3.5
99.04450	1.2
105.03371	2.2
107.04961	6.6
109.02867	2.1
109.06508	3.0
116.17190	0.7
119.06058	0.9
119.08592	2.6
121.06499	2.4
123.04419	4.0
124.05212	12.8
124.56816	0.7
127.03907	4.2
133.02821	2.7
137.05949	2.2
137.09618	1.2
139.07538	34.7
145.04974	3.6
147.08041	1.9
149.07104	1.6
155.06989	0.9
163.08676	1.0
164.09056	0.9
165.05478	16.5
165.09114	10.3
166.05891	0.8
174.85498	0.7
180.08597	1.4
183.06523	100.0
183.10005	2.1
184.06837	4.5
198.07672	1.6
210.02087	0.8
212.35776	0.7
221.85014	0.7
256.32883	0.7
293.44385	0.9
344.24243	2.6
362.15607	0.9
362.25159	2.4
363.10391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03425	0.9
59.70361	0.6
60.04543	1.0
61.02910	1.7
69.03424	2.9
69.58360	2.3
79.05492	0.9
81.03404	1.1
81.07023	0.7
85.02903	10.3
85.52585	0.6
85.95038	0.6
91.05480	0.8
97.02888	3.4
98.97591	1.0
105.07030	1.0
107.04931	0.9
109.02840	1.3
123.04430	16.9
127.03913	1.9
132.78307	0.6
133.06470	2.8
137.05974	100.0
138.06271	3.1
145.04977	3.1
161.94727	0.6
165.05469	10.2
165.09135	2.1
180.08681	2.7
183.06523	62.2
184.06831	2.4
278.58197	0.6
327.49799	0.7
362.14886	1.2
363.10709	1.2
374.93771	0.7
386.18451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61825	0.9
55.01862	1.8
57.03438	1.9
59.05002	1.9
60.04527	15.1
60.36461	1.1
61.02914	2.6
67.05500	4.1
67.80538	1.0
69.03434	8.4
71.04992	2.6
71.44850	1.2
73.02911	1.7
79.05498	12.1
81.03418	4.0
81.07078	2.0
83.04989	1.2
85.02905	35.0
91.03943	1.0
91.05481	11.3
93.07061	9.6
94.98956	0.9
95.04987	9.0
95.08611	2.9
97.02892	10.3
97.06506	1.0
99.04446	1.2
103.05463	1.2
105.03396	1.3
105.07027	2.3
107.04962	5.6
107.08607	1.3
109.02881	1.9
109.06522	3.0
109.10155	1.7
116.99334	1.2
119.06059	1.4
119.08588	12.4
121.06535	4.5
121.10111	3.0
123.04428	19.0
123.05267	1.4
124.05229	10.8
127.03901	7.3
133.02866	2.0
137.06001	3.9
137.09616	6.2
139.07539	36.5
145.04984	8.3
147.08054	9.2
149.07153	1.8
155.07048	1.6
155.58826	1.2
156.10341	1.2
163.06007	2.5
163.07410	1.2
165.05473	16.7
165.09114	48.2
166.09404	1.8
166.56464	1.0
180.08696	2.2
183.06529	100.0
184.06897	5.2
193.77910	1.3
198.07631	3.9
257.43842	1.4
273.07599	1.6
309.13174	1.3
327.14404	2.3
344.11270	1.6
344.24365	5.2
362.11819	1.6
362.24698	7.3
363.10532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01860	1.8
55.05514	1.0
56.85559	0.9
57.03437	2.7
59.05003	27.5
60.04531	7.3
61.02925	5.7
67.05505	11.0
69.03431	10.1
69.28082	5.3
71.01376	1.1
71.04988	1.7
73.02908	1.3
79.05042	1.9
79.05494	33.1
81.03411	5.7
81.07050	2.7
85.02908	49.2
91.03960	2.1
91.05482	15.7
93.07039	7.1
95.04969	6.8
95.08596	1.5
97.02887	11.9
98.22733	2.1
99.04475	1.6
105.03397	2.2
105.04499	1.6
105.07043	2.3
107.04958	31.4
107.08595	4.6
109.02876	3.9
109.06523	1.3
109.10153	20.9
111.04485	1.6
115.89560	1.0
117.07005	1.0
119.08591	22.7
120.08898	1.0
121.10154	1.9
123.04445	15.8
125.05997	1.6
127.03914	8.6
135.07993	1.3
137.06021	4.9
137.09628	17.2
138.09901	0.9
145.04961	12.0
147.08018	5.4
147.16138	0.9
153.09155	10.1
153.56880	1.1
163.05997	1.5
163.07555	2.3
165.05463	4.0
165.09120	100.0
166.09431	3.7
166.36438	1.1
180.08661	2.4
183.06535	2.8
183.10162	23.2
183.11694	1.7
184.10367	1.1
193.08603	1.9
302.96753	0.9
327.14319	6.9
344.24170	3.9
362.25186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66619	0.7
53.03931	1.5
55.01872	1.4
55.05494	0.9
55.28456	0.7
57.03424	3.2
58.62374	0.8
59.05000	28.2
60.04529	6.6
61.02924	5.6
63.99414	0.8
67.05504	10.3
68.83245	0.7
69.03425	9.5
70.06571	1.0
70.46167	0.9
70.46481	1.1
71.04982	1.4
73.02921	2.6
79.05491	35.6
79.05952	2.0
80.05811	1.1
81.03425	5.7
81.07055	2.4
85.02904	47.0
87.04438	0.9
91.03947	1.6
91.05479	18.0
93.07056	7.4
95.04974	8.6
95.08601	2.8
97.02887	12.9
98.03294	1.0
99.04460	1.4
105.03384	2.9
105.04496	1.5
105.07037	1.3
107.04949	35.5
107.08591	4.7
109.02869	5.9
109.10162	22.8
117.07018	1.7
119.08572	23.4
120.78998	0.8
121.10146	1.7
123.04429	13.3
127.03917	9.4
135.08034	2.2
137.05991	3.9
137.09612	17.0
145.04942	13.4
147.08014	5.5
153.09097	11.0
163.05954	2.5
163.07440	1.6
165.05418	3.1
165.09113	100.0
166.09430	3.0
180.08722	1.6
183.10175	21.6
193.08606	1.1
203.37558	0.8
219.59268	0.8
273.07306	0.8
291.20114	0.9
309.13235	1.8
326.23126	1.7
327.14365	7.1
344.24319	4.5
362.25375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28655	0.5
69.03427	1.2
69.54956	2.2
72.75919	0.5
79.05497	1.1
81.03406	0.6
81.07029	0.5
85.02903	3.8
96.36322	0.5
97.02894	0.9
105.07030	1.0
107.04924	2.3
108.89864	0.4
109.06519	0.7
112.08495	0.5
123.04400	0.9
124.05224	3.6
125.05986	0.7
133.06479	1.6
137.05972	66.1
138.06335	1.8
139.07545	3.6
140.07841	0.7
141.08017	0.7
145.04991	0.6
163.07474	0.7
165.09108	100.0
166.09442	4.8
181.08575	8.4
182.08939	6.2
183.07526	1.4
183.10222	56.7
184.10509	2.3
189.09087	0.6
191.35919	0.5
198.07597	3.1
201.08900	0.6
207.10094	0.9
231.09952	0.6
273.07745	0.5
291.12186	0.7
291.79321	0.5
309.67148	0.5
344.11151	1.7
362.12195	3.1
373.06046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07071	30.7
90.60295	21.3
93.07051	27.6
98.22720	56.8
130.52875	18.3
151.09691	22.9
163.11192	49.2
209.11717	100.0
211.41162	22.4
297.04364	21.5
345.20416	24.1
362.18314	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84827	0.5
53.03977	0.5
55.05502	1.0
56.96316	0.4
57.07048	0.5
57.32243	0.5
59.51427	0.7
63.14482	0.5
67.05523	2.5
69.03415	0.7
69.07079	1.0
71.05003	1.5
71.43857	0.6
79.05477	2.8
80.05009	0.5
81.07064	3.9
86.06079	0.6
87.04470	29.1
91.05481	1.3
93.07044	9.7
95.08611	1.4
98.06032	0.6
105.07060	2.6
107.08601	5.2
108.08115	1.8
117.07017	0.7
119.08600	2.4
120.08081	0.6
121.10148	1.3
124.11211	0.6
131.08554	1.0
133.10138	1.7
134.09604	0.9
135.11716	4.0
136.06195	1.5
136.11191	1.1
142.08641	0.7
145.10089	0.7
146.04668	0.6
146.09682	1.1
147.10416	1.4
147.11591	0.6
148.11191	0.9
148.49211	0.5
152.57127	0.5
154.08646	0.8
159.11682	0.9
161.13263	1.4
162.12787	48.2
163.13121	2.7
164.14313	0.6
165.68687	0.6
167.07117	0.7
174.07797	0.8
177.12718	0.9
178.15919	3.3
182.11678	0.9
194.11751	1.2
205.12283	0.6
206.11752	1.7
220.13371	1.8
222.14832	1.9
238.18188	0.7
248.16464	90.1
249.16791	5.8
250.18011	4.6
264.19601	49.6
264.22534	1.0
265.20044	3.2
292.19049	5.8
312.10916	0.5
312.18274	3.8
312.21191	0.7
330.19351	0.7
344.20828	0.9
362.22028	9.7
362.26846	100.0
363.17911	0.9
363.22794	0.9
363.27240	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	362.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
57.33669	0.5
67.05463	0.7
69.18515	0.5
69.76070	0.6
69.76408	1.4
77.16613	0.5
79.05476	0.8
81.07028	1.8
83.08630	0.5
87.04465	21.2
91.05428	0.8
93.07042	3.8
95.08591	0.9
98.06029	1.0
105.06998	1.1
107.08631	2.4
108.08081	1.9
119.08574	1.1
122.16360	0.5
129.83160	0.5
131.08519	0.6
134.09589	0.8
135.11679	2.5
136.11211	1.2
146.09641	0.9
147.10368	0.6
148.11188	1.4
158.95284	0.4
162.12775	35.9
163.13083	2.0
164.14301	0.6
176.14413	0.6
178.15880	2.9
194.11734	1.6
196.13234	1.0
206.11736	1.6
220.13307	1.1
222.14871	1.0
234.14822	1.5
248.16446	79.2
248.31047	0.5
249.16786	6.4
250.18013	2.3
255.76917	0.5
260.71143	0.6
264.19592	34.7
265.19934	3.0
276.23236	1.7
292.19055	6.1
312.77478	0.5
345.13263	2.9
362.26868	100.0
363.27173	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	362.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05511	12.3
56.05016	2.2
57.07074	13.2
58.06591	2.0
59.33046	1.7
67.05501	9.3
69.07077	8.5
69.32018	1.7
69.87615	5.7
70.06596	27.8
71.08636	6.9
79.05054	2.0
79.05494	6.6
81.07072	5.0
82.06569	3.1
83.01340	3.1
84.08148	2.3
85.10178	5.2
89.06032	23.4
91.05482	3.4
93.07050	5.2
95.08621	12.9
97.10181	3.1
98.22800	2.5
98.23306	3.2
107.04960	1.7
107.08611	2.1
108.05730	14.8
109.06519	2.2
109.10181	3.5
112.11248	11.3
119.08629	2.2
121.06538	3.9
123.04493	2.1
123.08023	2.0
124.05223	4.7
125.05989	33.5
126.06790	7.1
133.08600	7.4
135.08083	4.3
136.05190	11.0
137.05972	81.2
138.12720	2.8
139.03903	3.5
140.07014	2.2
140.10693	5.1
147.08075	2.3
149.09590	3.1
151.07596	4.9
152.04686	31.1
152.07088	6.1
153.05466	92.0
154.06248	60.4
154.07545	2.6
161.05986	7.7
163.07555	21.3
165.09114	1.9
166.06284	7.4
175.07544	6.4
177.09113	26.1
179.07045	2.9
189.09109	3.0
191.10725	5.0
193.08647	7.1
195.12263	3.9
220.74860	1.7
258.82895	2.0
259.16977	5.6
276.19589	26.4
277.19977	3.7
294.59238	1.7
303.23236	4.8
305.19461	2.8
320.23395	100.0
321.23901	11.7
334.27368	2.0
344.25836	13.6
345.24396	5.6
362.19870	2.9
362.26874	69.7
363.27090	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	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44534	0.2
52.86381	0.2
55.05493	0.5
56.05003	0.2
57.07076	7.3
57.76243	0.2
58.06602	2.2
59.77159	0.2
60.87688	0.2
67.05492	0.4
68.04994	0.3
69.07032	0.3
70.06590	20.4
71.04986	0.6
71.06911	0.4
71.08636	2.8
71.77282	0.2
72.08158	2.5
84.08149	2.5
85.10165	0.8
86.09704	3.5
88.07629	8.8
89.06010	0.8
92.44573	0.2
102.09177	4.8
114.09148	0.7
117.62700	0.2
132.10199	9.8
146.11760	9.3
150.60587	0.3
155.14217	0.3
194.13802	0.3
210.22110	0.3
212.23698	2.7
238.25266	1.1
256.26346	15.6
257.26663	0.9
300.28955	40.8
301.29251	2.9
331.56180	0.2
344.31750	1.1
362.32620	100.0
363.32935	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	362.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
57.06820	0.5
57.07080	7.7
57.07364	0.4
58.06599	2.0
67.05506	0.7
69.07074	0.5
70.06595	20.6
71.04986	1.7
71.06938	0.5
71.08638	3.1
71.18895	0.4
72.08167	1.3
72.55262	0.3
81.07055	0.9
84.08154	1.6
85.10190	1.1
86.09706	1.8
88.07633	14.7
89.06031	0.4
98.09723	0.3
102.09185	9.7
109.10182	0.4
114.09173	0.7
121.79292	0.3
132.10196	4.9
146.11772	4.7
155.10553	0.3
155.14325	0.7
173.11705	0.7
212.23628	1.4
238.25366	0.9
256.26358	34.8
257.26746	1.9
300.28986	21.9
301.29337	1.7
344.31668	2.6
362.32645	100.0
363.32980	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	363.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.2
61.61724	1.1
66.77755	1.2
67.05497	15.0
69.03431	3.6
69.86070	2.2
69.86448	2.2
71.04989	1.6
79.05498	1.0
81.03405	5.7
85.02905	21.0
93.03405	2.4
95.04956	8.5
97.02898	7.3
98.98473	2.3
103.03943	2.0
109.02892	3.9
123.04434	1.3
123.63919	1.1
124.30006	1.3
127.03903	3.7
130.06458	1.3
134.06039	5.3
137.05956	1.3
138.05495	46.8
139.05861	1.8
139.31808	1.0
145.04939	3.4
147.88754	1.3
150.05498	2.1
152.07086	2.7
162.05510	2.7
163.05983	1.2
166.04987	100.0
167.05399	4.0
167.07043	11.9
176.07062	3.6
180.06546	37.4
181.06920	2.0
184.06039	71.9
185.06439	3.1
185.08072	1.0
201.01527	1.3
204.06561	9.0
208.06035	42.4
209.06404	1.8
226.07111	10.7
232.06059	9.9
246.07544	1.5
250.07112	8.3
262.07028	4.0
274.07089	4.3
280.08127	1.2
292.08179	2.3
296.49191	1.1
363.07187	1.7
363.14307	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	363.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.2
55.03698	0.3
56.46753	0.3
66.17907	0.3
67.05482	0.3
69.31710	0.5
69.32114	1.2
72.38107	0.3
76.29504	0.3
79.05483	0.4
81.07014	0.3
87.04472	0.5
89.38042	0.3
91.05476	1.1
97.06528	0.4
105.07043	0.5
112.43006	0.3
115.05430	1.2
117.05756	0.6
117.07008	1.5
118.06538	28.1
119.06886	0.9
125.83566	0.2
130.06548	0.5
132.08081	2.3
133.08923	1.5
134.09630	0.4
139.55042	0.3
142.06522	1.7
143.07280	1.5
144.04395	0.4
144.08084	11.5
145.08398	0.4
146.06003	48.8
146.09610	1.4
147.06345	1.9
147.10406	0.3
155.06033	0.4
160.07608	0.6
160.11201	0.3
162.12805	0.6
163.13109	0.5
170.06026	3.8
173.59569	0.3
176.14337	100.0
176.78047	0.3
177.14680	5.4
188.07063	32.1
189.07368	1.5
216.13986	0.4
231.06761	0.4
234.14847	1.9
247.52951	0.3
248.16353	0.8
249.16901	1.4
264.19586	0.4
265.19754	0.5
301.10736	0.3
320.00418	0.3
345.13345	2.6
346.13605	0.3
363.20654	27.8
363.27228	2.4
364.21072	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	363.2142
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
60.29109	0.8
67.05478	1.7
69.07024	0.8
69.30048	3.8
69.74577	0.7
81.07038	1.3
81.37376	0.8
88.07607	0.9
93.07019	0.8
95.08624	0.9
125.53834	0.9
137.05972	1.9
140.25919	0.9
152.81773	0.8
163.07507	2.3
174.86348	0.9
177.09024	2.0
345.24255	2.8
362.32626	1.6
363.21384	100.0
363.33063	3.2
364.21689	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2143
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
52.36861	0.3
55.01853	0.4
55.05508	1.4
57.03430	0.5
60.21087	0.3
67.05508	0.9
69.07076	0.4
77.18331	0.3
79.05497	1.5
81.07063	0.8
83.08604	0.8
91.05473	0.9
91.66856	0.4
93.07043	0.6
95.08614	0.3
97.10159	0.7
105.07027	0.4
107.08607	0.8
109.10149	0.4
109.58214	0.4
117.07037	1.1
119.08584	1.2
125.09634	1.1
125.15057	0.4
135.08044	0.5
145.06499	1.0
156.34781	0.4
157.10139	0.4
159.08121	0.5
189.11246	1.2
202.05063	0.4
227.12923	0.4
266.07986	0.5
271.16980	1.9
331.18655	0.6
345.20343	1.7
363.21405	100.0
364.21729	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	363.2528
Annotation	Flaccidoxide
Peak:m/z	Relative Intensity
55.05499	5.9
57.07067	3.3
58.50921	2.2
60.12899	1.8
67.05511	5.1
69.07057	5.7
70.69845	3.7
71.08617	3.4
76.64645	1.8
79.05484	4.3
80.94851	2.7
81.07054	6.4
91.38985	1.9
93.07044	3.3
95.08591	5.0
97.06511	1.9
99.54284	2.2
104.99277	6.9
105.07062	2.1
107.04939	2.2
109.06549	2.6
109.10136	3.6
111.09768	2.0
121.06541	2.7
121.20085	2.2
123.04431	5.3
125.05998	9.1
133.06438	2.6
137.05980	100.0
147.04449	6.2
149.05997	7.2
151.07597	2.8
153.05475	45.9
161.05995	7.9
163.07550	18.9
165.05544	2.5
172.18590	2.1
177.05573	3.0
177.09117	41.9
179.07050	23.4
189.05493	10.2
191.10710	4.9
193.08612	23.0
195.06514	9.3
207.06471	3.0
219.10184	3.8
255.57413	2.0
289.21835	3.5
303.23172	35.3
304.23294	2.3
319.22690	14.9
321.24240	27.4
322.24734	3.2
345.23990	2.8
347.22183	3.3
363.21030	3.4
363.25192	37.7
364.24881	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	363.2528
Annotation	Di-n-heptyl phthalate
Peak:m/z	Relative Intensity
53.03933	0.5
55.01852	0.4
55.05510	8.2
56.35137	0.4
57.03430	0.9
57.07064	1.7
57.86463	0.4
58.82889	0.4
59.05001	1.0
61.82469	0.4
65.03912	0.8
67.05164	0.6
67.05502	10.9
69.07066	6.4
71.04998	1.0
71.08628	40.9
71.45582	0.4
72.08951	0.8
75.02962	0.4
79.05499	4.4
81.07057	14.9
82.07384	0.7
83.04977	0.7
83.08614	7.3
85.06537	1.1
91.05479	3.1
93.07053	4.3
95.04966	0.8
95.08605	14.8
95.09217	0.7
96.08934	0.6
97.06504	0.9
97.10170	6.5
99.08090	28.9
100.08412	0.7
103.05479	0.9
104.99269	0.5
105.07040	2.8
107.04947	5.5
107.08601	2.7
109.06538	1.0
109.10150	11.1
111.08054	2.4
111.11704	0.6
119.08566	2.9
121.06525	2.9
121.10146	1.7
123.04378	2.0
123.08073	0.7
123.11707	5.1
124.05200	1.4
125.05988	1.8
125.09621	0.7
127.11211	2.2
128.03426	0.4
131.08583	0.6
133.06453	0.8
133.10123	2.8
135.08040	2.5
135.11661	0.7
137.05969	22.4
137.09598	1.0
137.13225	0.8
138.06264	0.6
139.07533	17.4
140.07877	0.4
147.11694	1.7
149.05983	0.7
149.09668	0.6
149.13266	0.6
151.07565	0.5
151.11186	0.8
161.05989	0.7
161.13211	0.8
162.01558	0.5
163.07538	17.1
163.14838	0.6
164.07924	0.6
165.12766	0.7
165.16423	1.1
167.07057	0.7
175.07596	2.2
177.09099	6.7
177.30653	0.5
179.17943	2.4
179.19321	0.5
185.32426	0.4
187.07487	1.5
189.05409	1.1
189.09071	1.1
189.16380	5.3
191.10786	0.7
197.19005	0.9
201.09171	0.5
203.10637	1.2
207.17435	2.0
215.10649	1.7
217.12350	0.6
225.18520	2.1
229.12265	1.1
231.13835	0.9
235.12958	0.5
243.13910	0.6
243.19550	3.6
245.15414	0.5
327.23233	0.9
345.24268	2.8
363.25269	100.0
364.25510	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	363.253
Annotation	Flaccidoxide
Peak:m/z	Relative Intensity
53.03946	0.2
55.05513	3.6
56.05838	0.2
57.03443	1.0
57.07077	0.9
59.04996	0.6
62.76826	0.2
66.09990	0.2
67.05157	0.2
67.05506	3.0
69.07063	1.8
69.57494	0.7
69.57844	0.3
71.05009	0.6
71.08631	22.4
71.50958	0.2
72.08970	0.5
76.80643	0.1
79.05492	0.6
81.07054	3.8
83.01343	0.4
83.08612	2.6
85.06563	0.4
85.10207	0.2
89.06026	0.2
91.05476	0.3
93.07016	0.2
95.08601	3.4
97.10170	1.3
99.08093	14.8
99.81054	0.2
100.08418	0.4
107.04968	0.8
107.08585	0.4
109.06503	0.3
109.10144	2.6
110.03659	0.3
111.11684	0.2
121.05745	0.2
121.06519	0.7
121.10128	0.3
123.04472	0.3
123.11706	0.9
125.05988	9.8
127.11190	1.2
133.08574	0.2
137.05975	23.9
137.13286	0.3
138.06299	0.5
141.12798	0.2
149.09590	0.3
149.13226	0.2
151.07552	0.6
159.24771	0.2
162.06795	0.2
163.07532	3.2
177.09108	5.0
178.09520	0.3
179.17839	0.3
191.10701	0.5
197.19005	0.7
199.11479	0.2
221.71277	0.2
229.35455	0.2
303.23105	0.6
321.24225	100.0
322.24573	9.5
363.25204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.253
Annotation	16,16-dimethyl-PGA2
Peak:m/z	Relative Intensity
53.03949	0.5
55.05513	6.2
57.03437	1.0
57.07060	1.3
59.04986	1.1
67.05159	0.8
67.05505	8.8
69.07069	4.1
71.04978	0.8
71.08633	30.3
79.05489	3.7
81.07054	12.8
83.01348	2.7
83.08616	5.3
85.06563	1.2
91.05463	3.8
93.07061	5.2
95.04981	0.6
95.08607	11.5
95.24564	0.5
97.06598	1.0
97.10168	3.8
98.23513	1.0
99.08095	22.9
104.99247	1.5
105.07035	1.3
107.04932	1.0
107.08611	3.0
109.06514	0.9
109.10156	9.7
111.08099	1.6
117.07001	1.1
119.08600	2.3
121.06509	16.0
121.10116	1.5
122.06850	0.6
123.11723	4.0
125.05962	2.6
125.09587	0.9
126.77645	0.5
127.11205	2.0
128.49806	0.5
133.10136	2.7
135.08086	2.6
137.05981	35.1
137.09535	1.0
137.13243	0.8
138.06258	0.8
139.07535	9.0
141.12782	1.0
145.06511	0.7
147.11711	1.6
148.05212	0.7
149.05983	1.2
149.13234	0.7
151.07562	1.3
151.11195	0.8
153.05475	0.9
161.06009	1.5
163.07541	16.9
164.07870	0.8
165.16277	0.6
167.07004	0.8
174.06757	0.7
175.07605	2.6
177.09116	7.9
179.17931	1.7
187.07512	1.3
189.09108	1.6
189.16364	4.2
191.10667	0.6
193.08568	0.8
197.19182	0.7
201.09114	1.0
203.10764	1.0
207.17468	2.8
215.10703	1.6
225.18462	1.1
229.12270	1.9
229.27515	0.6
231.13786	0.9
243.19550	3.3
327.23181	2.1
328.23709	1.2
339.12442	0.6
345.24203	7.4
346.24561	0.9
363.25290	100.0
364.25555	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	363.2532
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
50.86662	1.9
55.05510	6.7
56.19999	2.2
57.07084	13.8
59.05000	2.9
64.47856	2.4
65.03931	2.9
67.05516	13.3
69.07063	8.9
69.59469	9.5
71.08632	11.4
79.05496	3.6
81.07056	6.7
82.87890	2.5
83.04966	2.6
83.08619	5.6
85.10162	4.5
89.06037	6.4
91.05470	3.9
92.67611	2.2
93.07059	3.1
95.04979	8.7
95.08606	8.7
95.46350	2.1
97.10143	2.3
97.53524	2.2
98.22725	3.3
105.07034	4.0
107.04935	3.6
111.04445	2.6
119.04939	3.3
121.06487	2.7
121.10105	4.1
123.04434	21.7
123.11641	2.3
125.05977	5.4
126.03158	7.4
131.08589	2.7
133.06511	2.9
135.04410	4.9
139.03886	32.3
141.05476	24.2
147.08011	2.7
149.02370	8.8
149.05989	4.0
151.09680	2.2
153.05475	14.5
154.02632	3.8
161.05977	7.3
162.03156	2.8
163.03900	31.9
163.07510	4.2
167.03426	14.6
167.07010	6.5
168.04050	3.3
169.04964	100.0
170.05299	2.6
177.05508	14.4
177.09026	3.3
179.07063	6.8
181.04987	2.8
186.39381	2.4
191.07043	6.1
193.08638	8.6
195.06552	7.1
205.08627	6.4
233.22694	4.0
275.23615	5.6
303.23108	8.1
317.24692	4.7
331.22699	8.7
335.22116	4.2
335.25833	34.2
336.26172	4.7
345.24234	8.5
363.25250	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	363.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21928	0.4
52.02967	0.4
53.03934	0.5
55.05256	0.6
55.05508	7.6
57.07079	4.1
60.36586	0.5
67.05503	6.9
68.99785	5.3
69.07067	11.2
69.07441	0.8
71.04984	1.0
71.08619	2.9
76.96825	0.5
79.05489	3.4
81.03386	0.6
81.07048	8.2
83.04967	0.6
83.08615	7.3
85.10171	1.1
87.00818	1.1
89.05997	1.7
89.16834	0.5
91.05466	0.7
91.38625	0.4
93.07061	4.0
95.08604	6.9
97.06507	1.5
97.10170	3.9
99.08096	0.7
107.08579	2.6
109.02915	1.1
109.10120	2.7
111.00799	7.2
111.08083	0.8
111.11707	1.1
114.19120	0.4
121.10140	2.6
123.11705	1.7
125.06042	0.5
127.03909	100.0
128.04250	2.6
133.08603	1.3
135.11697	2.3
137.13255	0.9
139.03905	0.4
149.13213	1.4
151.09624	0.7
163.14912	0.8
169.04932	0.6
190.38243	0.5
195.12299	1.0
219.21078	2.0
237.22131	1.7
251.12727	0.7
265.14417	1.1
279.15924	1.6
279.23019	0.7
293.17325	1.0
321.23938	0.8
345.24341	0.8
363.25211	7.4
363.29199	0.4
364.25034	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.253
Annotation	Flaccidoxide
Peak:m/z	Relative Intensity
53.03946	0.6
55.01885	0.9
55.05257	0.5
55.05511	5.9
57.07077	3.0
64.96385	0.3
65.03937	1.0
66.04709	0.3
67.01847	0.8
67.05502	6.0
69.03418	0.9
69.06712	0.3
69.07069	5.3
69.47623	0.7
69.47980	1.5
71.04986	1.0
71.08634	1.3
73.49751	0.3
79.05483	4.1
81.07059	8.8
83.01342	2.5
83.04976	0.8
83.08639	2.3
85.10167	0.6
89.06039	0.5
91.05482	3.8
93.03392	1.2
93.07051	2.4
94.04166	0.7
95.04972	2.6
95.08614	4.6
97.06527	1.2
97.10158	1.1
98.23412	0.8
99.04453	0.8
105.03359	0.4
105.04524	0.6
105.07037	2.0
107.04942	1.7
107.08597	1.1
108.05740	0.5
109.02858	0.5
109.06521	6.2
109.10148	1.7
111.04440	0.7
111.08078	0.4
113.90823	0.3
117.07032	1.7
119.04931	0.6
119.08561	1.3
121.06527	2.3
121.10133	0.9
123.04420	1.3
123.08045	1.3
123.11697	0.7
124.05226	1.9
125.05975	3.9
126.06790	0.8
127.03925	0.7
129.06946	0.6
131.08549	2.2
133.06480	0.8
133.10092	0.6
135.04427	0.8
135.08026	1.1
135.11723	0.4
136.05141	0.7
137.05974	22.6
138.06314	0.9
139.03885	4.0
139.07536	7.1
140.04654	1.5
141.05443	1.1
143.08575	0.8
145.06465	0.9
145.10124	1.5
147.08040	0.8
147.11679	0.4
149.05927	1.0
149.09610	1.5
151.07549	2.7
152.04689	1.8
153.05466	26.5
154.06253	16.8
155.06993	1.8
159.08052	1.2
159.11670	0.8
161.05960	1.0
161.09645	0.7
161.13168	0.3
163.03865	1.5
163.07509	3.6
163.11133	0.7
164.04570	0.4
165.05449	0.6
166.06284	0.3
167.03398	19.5
167.07034	29.5
168.04034	1.5
168.07591	1.4
169.08600	13.8
170.08910	0.4
173.06044	0.5
173.09637	0.8
174.65363	0.3
175.07574	0.5
177.05504	4.1
177.09102	9.7
178.09406	0.5
179.07062	1.2
179.10748	0.5
180.04218	0.6
181.03470	0.7
181.04967	8.8
181.08575	1.1
182.05746	18.1
183.06520	15.4
184.06886	0.5
184.61224	0.3
187.07555	0.7
187.11188	1.0
189.09067	0.5
191.07010	2.8
191.10652	1.7
191.95135	0.4
193.08588	2.0
195.06525	3.1
195.10275	0.4
196.07317	0.8
197.08089	100.0
198.08391	4.2
201.09088	0.4
201.12802	0.6
205.08591	1.8
205.12140	0.6
207.10170	1.1
209.08118	1.2
211.09685	1.0
215.10670	0.4
219.10257	1.5
219.13776	0.5
229.12482	0.4
233.11655	1.3
247.13359	1.0
261.14856	0.8
275.16370	0.6
275.23590	0.6
285.22202	2.6
303.23181	5.3
317.24710	0.6
321.24240	1.3
331.22638	2.7
335.25772	2.3
345.24179	0.8
363.25220	7.9
363.29050	0.8
364.25497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2529
Annotation	Flaccidoxide
Peak:m/z	Relative Intensity
55.05281	0.9
55.05507	4.8
57.07070	2.5
59.04997	1.1
67.05506	3.0
69.07065	3.5
71.08630	21.4
72.02459	0.8
75.92780	0.9
76.37601	0.7
79.05502	1.5
81.07052	3.9
81.79066	0.7
83.08616	2.8
85.10166	1.4
89.06023	4.1
95.08602	3.2
95.47095	0.8
97.10177	1.4
99.08096	12.6
104.99276	2.1
109.10135	2.1
123.04436	2.8
123.11736	1.1
125.05982	11.0
127.11176	1.4
130.02110	0.8
133.08617	2.4
137.05977	25.4
138.06282	1.6
149.05919	1.1
163.07544	5.7
173.36885	0.8
177.09126	5.8
189.05457	2.6
195.12344	1.2
321.24234	100.0
322.24579	10.0
363.24969	2.6
363.29794	1.5
364.24872	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	364.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01864	1.5
56.96558	2.5
57.03431	2.1
61.02907	1.7
69.03432	6.4
69.07068	1.0
71.04989	1.0
73.02906	1.6
77.56982	0.6
81.03426	11.7
83.04988	1.6
85.02908	21.2
90.05572	2.2
91.03940	1.1
95.04966	1.2
97.02887	6.9
98.97588	3.3
99.04464	1.8
107.01328	6.0
107.04939	1.1
109.02881	11.2
110.06083	0.7
111.04429	1.5
116.98656	1.1
123.04453	3.6
125.02331	1.6
126.03138	30.3
127.03188	0.7
127.03944	9.4
128.98619	0.8
133.63205	0.7
135.00758	2.7
135.04422	1.3
137.02364	3.9
139.03908	12.4
140.07050	1.1
141.05472	25.8
142.05809	1.2
145.04968	5.2
152.01082	1.4
153.01845	3.1
154.02141	1.0
157.04929	0.7
158.99754	0.9
159.03264	1.1
163.05969	0.9
164.80580	0.7
167.03403	19.3
167.04819	1.0
167.07039	7.1
168.03807	0.8
168.06593	2.2
177.00777	1.3
180.08629	1.0
185.04445	100.0
186.04787	3.2
200.09274	1.3
202.10759	2.2
203.03481	1.5
203.05267	18.4
217.07069	0.9
219.01785	1.7
220.11821	2.7
234.99657	0.9
237.02884	2.5
238.02953	0.8
254.12740	0.8
305.09039	4.3
311.07712	1.1
323.10129	6.2
329.08670	2.3
364.05588	2.1
364.10553	2.3
364.15994	1.8
365.10574	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01865	0.9
55.05506	0.4
57.03437	0.5
61.02921	0.5
61.97755	0.3
67.05493	0.5
69.03436	0.8
69.07085	0.5
71.04990	0.7
71.41954	0.3
79.05498	0.8
81.03420	100.0
81.07056	0.8
82.03764	2.0
83.04984	0.5
83.67014	0.3
85.02901	3.5
85.06535	0.5
87.00829	0.8
87.04478	0.4
90.74715	0.3
91.05497	0.7
93.07029	0.5
95.04974	0.9
95.08631	0.5
97.02896	1.2
97.06538	0.6
98.06066	1.2
98.97645	0.5
99.04475	0.7
105.01881	0.8
105.07023	0.5
107.08613	0.8
108.04499	0.6
109.02903	1.5
111.04458	0.6
113.06009	0.6
114.05556	0.3
121.10160	0.8
123.04432	2.1
123.08089	0.5
125.09660	0.7
127.03902	1.7
135.04353	0.4
137.09692	0.3
139.11200	0.7
145.04955	1.0
147.04478	0.3
149.09596	0.5
159.02966	0.6
161.05945	0.4
165.31192	0.3
167.07018	1.5
167.10704	2.8
177.05450	0.4
179.07072	0.3
185.04311	0.4
185.08183	0.7
185.11768	1.5
189.03979	0.5
189.05469	0.5
202.14336	0.6
203.12743	0.6
207.06604	0.7
210.14954	0.6
231.05083	0.5
259.07928	1.0
270.69714	0.3
290.30670	0.3
311.07797	0.6
320.20755	0.6
346.22107	0.5
364.16415	0.9
365.05954	0.6
365.11392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
56.96560	1.4
59.65524	0.7
65.03936	0.8
67.02201	0.8
67.05495	1.3
69.03441	1.5
71.43744	0.8
81.03407	1.0
85.02893	2.5
95.04974	0.8
97.02905	1.7
98.97580	21.0
99.04440	1.8
99.97919	3.7
100.97974	0.9
109.02895	0.7
111.04469	1.1
113.78466	0.7
116.98624	5.8
117.98924	0.8
126.03133	1.9
127.03885	0.9
134.99677	1.2
139.03902	100.0
140.04240	4.0
141.05457	2.4
145.04915	1.0
158.99675	7.2
159.99973	3.0
167.03403	44.4
167.07074	2.8
168.03746	2.0
168.67601	0.6
173.11565	0.7
177.00723	5.9
178.01122	3.5
185.04446	78.5
186.04803	3.4
203.05269	10.0
219.01686	4.0
220.02142	3.0
304.08017	1.1
322.08862	1.4
352.12515	1.5
364.13531	3.7
365.10480	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.7
53.49742	0.4
55.01855	0.5
57.03455	0.5
59.04986	0.5
60.09056	0.5
67.05516	0.5
69.03426	1.2
69.07056	0.9
69.27638	2.7
70.06588	0.8
71.04990	0.8
79.05511	0.9
81.03420	100.0
81.07057	2.3
82.03740	2.5
83.04983	0.7
85.02905	5.4
85.06575	0.5
87.00836	1.0
87.04470	0.8
91.05487	0.9
93.07056	0.8
93.99009	0.5
95.04986	2.2
95.08604	0.9
97.02891	2.4
97.06546	2.0
98.06077	0.7
99.04490	0.9
105.01871	0.5
105.07085	1.0
107.08598	6.4
108.04477	0.7
109.02894	1.0
109.06524	1.8
110.07190	0.8
111.04474	0.5
121.10149	1.3
123.04435	4.3
123.08055	1.6
123.11684	0.5
125.09642	1.8
127.03928	1.7
127.07604	0.5
130.05046	0.5
131.08601	0.5
137.05984	0.8
145.04994	1.9
147.04414	0.5
149.09683	1.0
151.04045	0.5
152.04587	0.6
155.10680	1.3
161.05930	0.5
165.05524	0.5
167.07040	31.9
167.10677	3.4
167.48625	0.5
168.07445	1.6
173.49936	0.5
175.11229	0.6
177.05525	1.3
185.11717	5.0
189.03940	0.5
201.07288	0.6
207.06570	0.5
215.14337	0.8
227.09152	0.9
235.12070	0.5
248.07645	0.4
251.30579	0.5
292.84082	0.4
315.18222	1.0
324.40103	0.5
346.22223	0.6
364.13974	2.6
364.21466	1.9
365.06049	1.2
365.21909	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	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05515	0.2
56.77422	0.2
60.71692	0.2
60.90801	0.2
69.03416	0.5
69.07040	0.3
71.41655	0.3
74.00688	0.2
78.04715	1.9
78.75392	0.2
79.05486	0.6
81.03419	17.1
85.02912	1.4
87.61442	0.2
91.05469	0.5
93.07044	0.3
95.04970	0.5
96.05713	0.2
97.02888	0.4
97.06525	0.3
98.05997	0.2
99.04443	0.5
106.04179	1.4
107.08602	0.3
109.02866	0.4
109.06549	0.5
121.10149	0.7
122.03636	0.4
123.04431	5.3
124.05213	1.4
127.03848	0.4
134.03624	0.3
137.05943	0.6
141.05351	0.2
141.38324	0.2
145.04919	0.3
149.09538	0.3
151.03908	0.8
152.04688	1.5
167.07039	100.0
168.07388	4.3
185.08093	0.6
185.11690	0.6
203.05287	0.3
365.06232	0.4
365.10733	1.3
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
53.03946	0.3
56.47479	0.3
61.98197	0.3
62.06077	0.3
63.76425	0.3
69.03405	0.6
69.33183	0.7
69.33567	0.6
78.04700	2.0
79.05483	0.8
81.03429	1.8
81.07035	0.3
85.02891	0.8
89.03944	0.5
91.05453	0.5
95.04978	0.7
97.02862	0.8
98.97560	0.3
106.04164	1.4
107.08609	0.7
112.11255	0.5
114.09138	1.7
117.03371	1.6
117.79643	0.4
122.03655	0.6
123.04431	5.5
124.05208	1.4
131.11736	0.4
134.03621	0.7
137.06006	0.4
145.02847	5.9
149.05957	0.9
151.03873	0.9
152.04643	2.0
155.07045	0.5
167.07031	100.0
168.07388	3.5
170.16638	0.4
171.14896	1.1
177.05466	7.7
185.08083	0.6
185.11783	0.7
188.17554	4.1
202.14366	0.4
220.14914	0.3
227.09174	1.0
234.11298	2.6
239.02362	0.4
347.19604	0.9
364.13672	1.3
364.22281	8.4
365.06161	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	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
57.45147	1.4
60.04524	2.4
60.38327	1.4
65.03959	1.5
67.05500	2.5
69.03429	3.2
69.45995	1.2
69.61295	5.5
71.04984	3.6
72.08143	5.2
78.14371	1.2
79.05492	24.8
81.07065	8.5
83.05005	1.4
85.02921	2.0
91.05483	19.5
93.07040	15.2
95.04958	2.9
95.08630	2.6
97.06516	1.8
99.04483	7.5
105.07031	69.0
106.07371	2.1
107.04936	1.7
107.08598	37.2
109.06513	9.6
111.04411	1.4
114.09174	2.8
117.03391	4.7
117.07043	2.5
119.08586	79.9
120.08917	2.5
121.10166	11.6
123.08058	4.2
123.84853	1.4
125.05993	1.2
131.08595	2.3
133.06485	4.3
133.10129	100.0
134.10448	4.0
135.08023	2.3
135.11678	1.7
137.06012	3.5
137.09607	5.0
143.08537	3.2
145.02859	18.8
145.10141	1.6
146.07222	1.3
147.08067	5.1
149.05989	1.6
149.09563	2.6
151.07561	23.9
152.07872	1.8
161.09628	39.7
162.09998	1.7
163.07513	6.4
163.11174	10.7
165.09102	4.1
167.10701	10.0
171.14864	2.6
177.05463	26.1
179.10670	96.2
180.11021	5.2
185.11722	3.5
188.17595	6.8
189.09102	22.3
205.19913	1.4
207.10146	27.2
225.11234	49.1
226.11560	3.5
234.11240	14.2
250.49767	1.4
297.48077	1.5
329.12405	1.5
347.19644	4.1
360.01163	1.3
364.10736	8.0
364.22421	28.1
364.26816	4.6
365.10898	3.1
365.22534	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	364.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
57.03431	2.6
58.77549	1.6
59.04999	3.3
59.73836	1.5
62.01070	1.7
63.90332	1.6
67.05495	4.2
69.03422	7.3
69.07081	1.8
69.27439	9.7
74.43676	1.6
79.05499	21.3
81.07059	28.7
83.04971	1.8
85.02888	4.7
91.05471	18.3
93.07045	25.8
95.04963	2.1
95.08602	13.2
97.02872	1.7
97.06526	5.2
99.04465	4.6
105.06360	2.9
105.07034	52.5
107.04932	2.4
107.08591	41.9
108.08974	1.6
109.02916	1.7
109.06511	4.8
109.10179	2.6
111.04446	3.4
111.08050	1.8
113.56508	2.1
117.06998	2.3
119.08582	54.0
121.10147	100.0
123.08094	4.5
123.11730	19.7
125.05982	6.4
129.07069	1.8
131.08582	2.6
133.06546	3.8
133.10130	71.5
134.10405	2.0
135.08051	1.9
135.11650	2.3
136.06184	3.6
137.05978	1.7
137.09578	3.3
139.11182	13.5
145.10078	2.2
147.08015	4.2
149.09630	10.1
151.07530	18.0
161.09615	32.2
162.09930	2.3
163.07542	2.8
163.11183	7.2
165.09102	5.2
167.10677	45.8
179.10674	63.3
180.10985	3.4
185.11751	3.3
189.09117	18.8
207.10159	24.3
225.11209	38.2
364.14172	2.3
364.19858	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	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	1.7
57.03439	3.4
60.76176	1.1
61.02930	2.0
62.64941	1.3
64.03840	1.2
67.05510	1.3
69.03429	3.7
69.82993	1.3
69.83321	2.9
73.02908	1.7
75.04488	5.3
79.05493	12.4
81.03404	2.0
81.07056	7.1
83.04999	2.5
85.02914	10.9
87.04474	1.3
90.28893	1.3
91.05457	7.8
93.07047	57.4
94.07346	1.9
95.04979	3.1
95.08617	3.0
97.02897	4.7
99.04449	1.4
105.04513	1.3
105.07043	11.5
107.08594	56.5
108.08940	2.7
109.06514	1.4
111.08039	6.7
117.03345	1.3
119.08613	4.7
121.10144	100.0
122.10494	4.5
123.08078	1.8
123.11730	3.2
125.05975	2.6
125.09643	5.1
127.03889	1.5
131.08575	1.4
133.07616	2.6
133.10152	4.5
139.03928	2.5
139.11169	7.4
145.02853	3.5
145.04984	3.5
149.09622	20.8
161.09680	1.4
167.10686	94.7
168.11064	5.1
177.05475	6.9
179.10684	3.4
188.17610	2.0
205.04997	2.3
207.10066	1.6
225.11238	3.0
234.11206	4.1
271.18942	1.3
295.82495	1.2
311.45706	1.3
347.20093	1.3
364.22293	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	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58822	0.9
55.01852	0.9
55.05517	1.1
57.03435	1.3
57.07083	1.1
59.05002	2.8
61.02924	1.0
67.05500	4.0
69.03440	2.0
69.07066	1.1
70.43113	0.8
70.43447	1.4
76.10974	0.8
79.05482	8.8
81.03416	1.7
81.07054	29.9
85.02890	5.4
91.05473	2.5
93.07046	13.1
95.08606	14.8
97.02897	2.1
97.06536	2.4
105.07018	5.8
107.04960	1.3
107.08592	8.9
109.06507	0.9
119.08561	1.4
121.10142	100.0
122.10467	4.4
123.08104	1.0
123.11702	21.8
124.12068	1.4
125.06007	6.4
127.03941	1.5
131.08556	1.3
133.07570	1.2
136.06186	4.0
139.11180	14.9
140.11523	1.1
149.09604	10.3
167.10674	49.6
168.10994	1.8
185.11766	1.8
204.54739	0.9
261.38940	0.9
296.55093	0.9
364.20166	0.9
369.78482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01869	3.0
55.05515	5.1
55.60302	1.7
56.56688	1.5
57.03418	5.0
60.04500	1.6
61.02927	3.5
67.05495	4.6
69.03421	6.7
69.07055	4.7
69.42309	7.8
73.02895	1.8
79.05045	2.5
79.05492	41.1
81.03419	3.3
81.07057	36.0
82.07398	2.4
83.04986	4.3
85.02906	19.5
85.58970	1.6
91.05479	10.5
93.07044	52.7
95.04965	4.7
95.08607	16.2
97.02895	8.4
97.06517	14.7
98.23441	3.0
99.04454	3.2
105.07034	11.2
106.77735	1.6
107.04951	24.4
107.08595	52.7
109.06503	2.2
111.04427	5.9
111.08078	1.6
113.06026	1.7
114.09145	2.8
117.03403	4.1
119.08581	5.6
121.06506	10.4
121.10146	100.0
122.10447	3.3
123.08052	5.1
123.11722	4.1
125.05996	31.4
125.09586	3.9
127.03853	4.3
128.25412	1.5
131.08546	6.0
139.03914	4.1
139.11180	12.6
141.09056	4.0
145.02856	14.4
145.04990	3.1
149.09621	61.1
149.13258	23.7
150.09932	2.9
161.09657	2.4
167.10674	96.3
167.14412	2.2
168.11002	6.7
171.14951	2.7
174.09166	2.7
177.05464	19.9
185.11748	27.0
186.12080	1.7
188.17599	5.4
234.11258	16.3
268.38327	1.8
347.19431	3.1
364.18228	2.8
364.22327	25.2
364.26584	3.4
365.10672	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.5
63.02366	0.3
69.58934	0.2
70.06600	0.2
70.99726	0.2
72.04517	0.9
72.08150	1.6
84.08134	1.0
89.03908	3.3
93.07032	0.3
100.07597	0.3
105.06987	0.2
106.04148	0.2
107.08585	0.2
112.11235	2.2
113.07132	0.4
114.09167	7.3
115.09518	0.2
117.03374	14.1
118.03703	0.3
127.74157	0.1
129.13940	0.3
131.11798	1.2
134.03598	0.8
135.04433	0.9
137.05994	0.2
138.87645	0.2
143.11798	0.5
144.04449	0.2
145.02841	61.1
146.03159	1.8
149.05977	6.0
155.11769	1.2
158.05991	0.2
162.03117	0.5
163.03865	0.6
170.16557	0.4
171.14908	5.7
172.14368	0.2
176.07092	0.8
177.05463	100.0
178.05797	3.5
186.05435	0.9
188.17574	16.1
189.17888	0.7
190.25252	0.2
213.15958	0.4
214.15508	0.4
218.08095	0.2
219.08942	1.2
219.87392	0.2
233.12885	0.2
234.11240	66.2
235.11568	2.7
261.14886	0.2
346.21222	1.0
347.19522	2.6
348.19946	0.2
364.22278	91.5
365.10428	0.3
365.22614	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	364.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11859	0.4
53.71091	0.6
58.06585	1.7
60.04528	3.9
69.96942	0.5
70.04177	1.4
72.04515	2.1
72.08147	3.7
79.15642	0.4
81.07057	0.8
83.26588	0.5
84.08150	1.2
89.03903	3.2
100.07627	0.8
105.07040	0.4
106.04150	0.6
106.45122	0.5
112.11237	3.0
112.16430	0.4
114.09170	12.3
117.03377	15.0
131.11816	1.2
134.03635	0.7
135.04416	1.0
137.06015	0.5
143.11809	1.4
145.02847	57.4
146.03181	2.3
149.05983	4.7
155.11812	1.5
158.79482	0.5
163.03929	0.6
167.10760	0.6
171.14919	8.0
174.62021	0.5
177.05470	100.0
178.05803	4.6
188.17583	21.0
189.17889	0.8
208.56871	0.5
213.16014	1.1
214.15564	0.6
216.04800	0.5
219.08949	0.8
234.11249	52.1
235.11533	2.9
260.55240	0.5
271.81863	0.5
328.24927	0.5
346.21506	0.9
346.25879	2.1
347.19635	18.0
348.20093	1.1
364.22293	79.4
365.10666	0.5
365.22620	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	364.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
57.48862	0.4
58.06583	1.7
58.39487	0.4
60.04525	18.5
65.03944	0.5
67.05498	1.7
69.03422	0.8
69.07053	0.8
70.36425	0.8
71.04984	0.8
72.04528	2.5
72.08160	2.4
75.92360	0.5
79.05509	2.4
79.09554	0.4
81.07043	3.0
84.08128	0.8
85.02896	1.5
89.03903	3.7
93.07027	1.6
95.04949	0.7
95.08604	1.1
97.02892	0.5
99.04480	2.7
100.07586	1.1
105.07021	1.4
107.04967	1.1
107.08590	2.1
112.11217	2.5
114.09162	5.8
117.03374	15.9
117.07037	0.7
118.01601	0.4
119.08568	0.8
121.06463	0.7
121.10107	1.3
131.08534	1.3
131.11745	0.5
133.10095	0.6
134.03610	0.6
135.04422	0.5
145.02844	61.3
146.03206	1.9
147.11700	0.5
149.05954	5.2
149.09613	3.3
155.11810	0.8
167.10652	1.4
171.14938	6.2
176.07027	0.8
177.05466	100.0
178.05786	3.7
188.17578	15.8
219.08748	0.6
227.90407	0.5
234.11246	59.8
234.54434	0.4
235.11551	2.6
292.22345	0.7
310.23770	0.7
328.24753	2.7
344.08295	0.4
346.21814	0.7
346.25882	16.0
347.19638	2.1
347.26080	0.9
364.22293	85.0
365.22647	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	364.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05510	6.5
57.03433	3.6
57.07074	7.1
59.04996	2.9
61.02912	2.3
67.05501	7.3
69.03426	6.4
69.07063	23.5
69.55621	6.6
71.04987	13.1
73.06554	2.4
79.05495	6.8
81.03428	2.2
81.07061	20.5
83.04977	3.7
83.08624	17.5
85.02906	30.0
91.03934	1.6
91.05473	4.8
93.07047	34.1
95.05003	1.6
95.08596	14.7
97.02898	6.8
97.06525	19.4
97.10210	2.0
98.22682	2.9
99.31601	1.4
105.83125	1.4
106.08886	1.4
107.08597	35.8
109.02921	1.6
109.10155	32.0
111.08079	21.6
111.11736	4.6
119.08567	1.6
121.10148	27.1
123.11702	11.1
125.09634	2.9
127.03899	5.3
132.20215	1.5
135.11678	16.1
145.04979	7.4
149.13255	73.1
150.13618	2.1
153.12738	100.0
154.13077	3.8
163.06021	8.0
167.14319	90.5
168.14632	4.5
287.77158	1.7
365.11328	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90240	1.3
67.05511	1.9
69.09164	4.5
69.09576	4.5
71.04988	8.6
72.77614	1.5
77.23520	1.5
78.09402	1.2
79.05492	4.5
81.07063	12.3
91.05476	2.4
92.32314	1.5
93.07040	11.0
95.08626	1.7
107.08604	9.7
109.10186	3.1
121.10165	2.1
122.88871	1.3
135.11703	13.8
137.06131	1.9
149.13290	4.3
153.12744	100.0
154.13066	2.3
160.08556	1.3
167.10654	2.2
203.05264	1.6
215.74248	1.8
218.46500	1.4
226.25066	1.6
364.22165	1.9
365.10623	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	364.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05500	2.9
57.07074	10.7
61.02898	0.8
67.05502	1.4
69.03427	2.4
69.06708	1.0
69.07069	14.1
69.52260	2.3
79.05495	6.6
81.03407	1.3
81.07046	5.1
83.08608	1.0
85.02913	7.8
87.04476	0.7
90.27649	0.7
91.05470	5.3
93.07046	27.7
93.45543	0.7
94.07356	1.1
95.05003	0.8
95.08589	2.2
97.02901	2.9
97.06512	1.0
98.23417	1.5
105.04485	0.9
105.07027	4.8
107.04951	0.8
107.08599	42.0
109.06530	1.3
109.10145	3.1
111.04465	0.8
111.08089	1.1
119.08553	1.2
121.10149	30.2
123.10892	1.1
123.11720	14.4
127.03899	1.1
133.10112	1.2
134.80342	0.8
139.11156	1.6
149.09610	2.5
149.13260	100.0
150.13565	4.9
161.45807	0.7
167.10701	4.6
167.14325	12.0
243.90912	0.7
294.51544	0.8
317.19467	0.7
348.54941	0.7
365.11581	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	364.2482
Annotation	Cardiopetalidine
Peak:m/z	Relative Intensity
55.01871	1.0
55.05518	3.5
56.05035	2.8
57.07077	6.0
65.03935	1.4
65.32413	0.5
67.05504	2.8
68.99802	0.5
69.07075	3.2
69.50765	1.6
71.08643	2.7
71.32242	0.5
73.21515	0.5
78.45432	0.6
79.05485	1.8
81.07050	1.6
83.01332	0.7
83.08622	2.4
85.10184	1.2
91.80035	0.5
93.03424	5.2
93.07045	1.0
95.04979	2.5
95.08603	1.8
97.10155	0.9
98.22754	1.1
98.98476	0.9
105.03403	5.5
105.07025	2.8
107.04944	1.4
107.08617	0.7
109.10206	0.8
111.26099	0.7
115.05464	1.0
115.36375	0.6
117.07053	1.2
119.04881	0.5
121.06470	0.8
123.04433	1.5
129.06961	0.8
133.06490	4.0
135.04350	0.7
137.02412	0.7
137.05994	0.8
139.03935	1.1
147.04417	1.8
147.11717	0.5
149.05980	1.0
150.43648	0.5
151.07521	0.8
155.01047	1.5
155.03383	1.1
157.06580	0.5
161.06001	11.2
162.06329	0.5
163.07597	0.6
165.05504	1.0
169.04985	1.5
173.05957	1.0
175.03917	3.9
177.05490	10.5
179.07057	3.7
183.02931	1.1
185.04465	0.7
188.07141	1.0
189.05479	48.5
190.05801	2.2
191.07057	1.0
193.05025	1.3
197.04440	0.9
203.10757	0.6
205.04976	0.5
206.05811	2.0
206.08168	2.6
207.06543	25.4
207.08513	1.2
208.06941	1.3
211.06047	3.1
217.08530	0.7
219.13927	0.6
231.10188	0.9
301.21548	0.7
318.24307	1.5
319.22665	3.4
320.23056	0.9
329.20981	1.8
346.23715	4.8
347.22113	18.6
348.22635	2.0
364.24838	100.0
365.23608	15.0
367.94647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
67.05497	1.1
69.03420	0.9
69.07071	1.0
69.24490	2.5
71.04974	1.4
72.08134	0.5
72.50497	0.5
79.05480	2.1
81.07061	5.0
85.02894	1.8
91.05480	0.7
93.07037	1.4
95.08612	0.6
97.02885	0.5
105.07043	2.4
106.07327	0.7
107.08585	3.2
107.34658	0.5
108.08944	0.6
109.10155	0.8
119.08573	1.7
120.08082	0.8
120.08926	0.9
121.10142	1.5
123.04411	0.5
123.11738	0.6
125.06005	0.5
133.10123	1.6
134.10463	1.4
139.11057	0.5
149.09665	0.9
151.07497	0.7
152.07846	0.6
153.05431	2.7
161.09622	0.7
162.10028	0.6
167.10675	2.0
168.10989	1.3
169.12248	4.8
171.00549	1.9
179.10689	1.0
180.11018	1.5
185.04199	5.9
185.11693	0.7
190.09462	0.5
203.03151	100.0
204.03481	3.3
207.10088	0.5
213.56361	0.5
220.09489	0.9
225.11186	0.8
226.11346	0.6
244.06065	0.5
263.10205	0.5
305.11252	0.9
365.08405	37.4
366.08719	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95702	1.7
69.72356	5.3
93.63023	2.5
97.37762	2.0
99.60843	2.0
164.41708	1.9
185.04227	19.7
193.88167	2.0
197.02992	2.0
203.05266	48.7
219.09093	2.2
245.05145	3.2
325.95279	2.5
365.10379	100.0
366.10773	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07318	0.6
53.44802	0.7
56.94397	0.5
58.87265	0.5
70.44373	1.4
98.22801	0.8
127.24409	0.6
152.47997	0.6
185.04216	18.2
203.05258	45.2
204.05577	1.2
211.63925	0.6
224.20628	0.5
227.63309	0.6
234.09837	1.2
245.04889	0.6
261.69208	0.5
323.67206	0.7
347.39954	0.6
365.10580	100.0
366.10916	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47363	1.5
71.08444	1.5
72.19501	1.1
78.71497	1.2
78.77807	1.1
81.66280	1.2
128.49081	1.2
133.83488	1.3
136.64212	1.1
161.31274	1.3
185.02676	1.4
185.04242	21.3
203.05252	50.5
204.51268	1.1
245.05042	1.9
326.47562	1.3
365.10336	100.0
366.10495	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	365.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81585	0.3
60.04504	0.8
69.07048	0.4
69.85617	0.7
69.85974	0.6
71.04985	1.4
73.56432	0.3
75.10876	0.3
79.05454	0.4
81.07053	0.5
85.02892	0.6
86.13189	0.3
93.07047	0.4
95.08624	0.4
97.06505	0.5
105.07067	0.5
107.08614	0.6
121.10174	0.7
123.11632	0.3
125.51777	0.3
137.53305	0.3
145.02843	0.7
146.03128	0.5
151.11157	0.7
169.12151	1.6
177.05467	1.1
178.05768	0.8
185.04237	1.0
203.06793	2.0
234.11211	0.4
235.11652	0.4
246.09546	0.4
365.12057	100.0
366.12314	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	365.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
56.96566	10.7
57.03441	5.0
67.05502	11.5
69.03457	4.5
69.07070	11.3
70.10952	7.6
79.05499	10.8
81.07056	9.4
82.60854	2.3
83.08617	2.6
91.05503	8.5
91.14888	2.5
93.07045	8.3
95.04978	4.2
95.08622	5.5
97.02921	4.4
97.10146	4.8
105.07066	9.3
107.04996	5.1
107.08606	5.9
109.06519	2.8
109.10120	5.0
119.08597	6.4
125.09684	3.0
131.08548	4.3
133.10179	3.6
135.08051	2.6
145.10153	5.9
157.10115	3.1
182.55119	2.9
199.06577	3.6
212.22357	2.5
213.07932	2.6
217.07356	3.2
223.13344	7.5
251.09459	2.9
255.08885	3.4
269.10587	23.2
273.18417	11.8
287.11594	5.6
291.08640	6.2
291.19498	23.6
333.09805	32.9
334.10233	4.0
343.58801	3.1
351.10687	2.9
365.12567	9.7
365.17209	100.0
365.23056	19.3
366.13321	2.9
366.17746	8.2
383.17410	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	365.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64653	0.9
65.32624	0.9
67.05514	2.0
69.71076	1.4
69.71424	2.3
81.07054	1.6
82.00316	0.8
83.05004	0.9
91.05499	1.0
93.07043	1.5
95.01096	2.1
95.08652	1.2
105.07040	0.8
107.04736	2.2
115.78104	0.7
125.05775	1.5
137.05765	1.8
149.05772	3.5
149.09439	0.8
150.06540	2.7
163.03662	0.9
179.06769	5.3
191.10513	0.8
193.36447	0.7
194.12801	1.1
195.10001	1.9
205.08406	4.4
210.36440	0.7
219.09981	2.5
220.10786	1.5
221.11473	21.6
222.12192	5.8
233.11525	3.4
234.12367	1.4
245.11490	0.9
251.12550	2.5
263.12527	16.8
275.36539	0.9
277.13919	1.3
289.17761	3.1
296.13492	0.9
319.15155	6.5
329.86810	0.8
331.18781	4.8
332.38190	0.8
347.18369	4.0
348.19147	5.4
365.19208	14.7
365.23056	100.0
366.19614	1.3
366.23346	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	365.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
56.05032	1.6
57.03430	1.0
67.05499	3.4
68.05013	1.9
69.07067	2.5
70.04987	1.9
70.05322	1.1
79.05502	4.3
80.05009	6.5
81.07057	6.6
83.08629	1.1
85.02900	1.0
88.03983	0.9
91.05495	4.2
93.05791	2.1
93.07051	10.3
95.08626	3.1
97.10302	1.0
98.09682	3.2
98.22814	1.3
105.07026	3.4
106.06584	1.3
107.07354	1.7
107.08600	4.1
108.08121	83.0
109.08309	1.3
109.08923	4.2
110.09675	17.3
114.05563	0.9
115.05447	1.3
117.05749	2.5
117.07053	3.6
118.06545	42.7
119.06885	1.8
119.08587	2.3
120.08141	1.5
121.10113	1.3
122.09666	2.5
129.07018	1.4
130.06534	29.9
130.78441	1.2
131.08568	1.3
133.10175	1.4
134.09665	4.3
135.11700	2.0
136.11258	1.3
142.06546	4.0
143.07350	2.8
143.08569	1.0
144.08089	26.5
145.08395	1.1
145.10139	1.6
146.06009	100.0
147.06371	2.7
148.11192	2.0
149.02325	2.0
154.08528	1.0
161.13292	1.2
162.12721	1.5
165.07805	2.6
166.08633	10.3
168.08043	1.4
168.10214	1.8
170.05997	7.0
175.14954	1.3
176.14398	1.9
178.15913	76.2
179.16301	5.6
188.07074	73.6
189.07388	2.4
190.15826	2.7
193.04993	2.0
233.07013	1.2
234.14848	3.5
236.16457	22.8
237.16838	1.1
246.52864	1.0
249.16705	1.0
251.08345	1.3
251.17212	1.0
265.19739	1.2
270.69275	1.0
273.18176	1.5
277.17004	2.1
279.07819	1.2
295.14432	10.8
297.15942	6.3
321.16794	2.1
323.17511	3.1
347.18188	5.6
365.22717	94.3
366.22955	11.7
366.67877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04453	5.2
64.82298	5.3
69.12823	5.9
76.04261	4.9
80.63683	5.3
144.62521	5.6
258.76483	6.4
311.53351	6.0
365.10504	11.4
365.19238	9.0
365.23059	100.0
366.23331	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
53.32972	1.1
54.08392	1.2
55.01864	5.9
55.05514	19.9
57.03438	7.6
58.22557	1.0
58.46077	1.1
66.62357	1.1
67.05169	1.4
67.05506	26.5
69.03423	11.0
69.06715	1.9
69.07070	34.3
70.42910	2.4
71.04993	2.4
79.05496	20.3
81.03423	3.3
81.07059	17.3
83.04978	4.0
83.08617	7.6
85.07085	0.9
91.05479	10.7
93.07044	14.0
95.04966	5.6
95.08614	8.1
97.02896	13.5
97.06527	3.6
97.10170	14.7
105.07019	9.1
107.04939	5.2
107.08599	11.8
109.06531	2.4
109.10155	8.4
111.08075	1.9
117.07042	4.5
119.08578	8.1
121.06501	3.1
121.10152	3.8
123.08070	2.0
125.09620	7.4
129.05484	0.9
129.06987	1.7
130.00600	1.0
130.07727	1.1
131.08565	4.9
133.10103	2.6
135.08029	4.1
135.11685	2.0
137.09593	2.8
145.06480	1.1
145.10115	3.6
147.08051	2.9
147.11688	1.9
149.09653	1.1
149.13255	1.5
150.93661	1.1
153.09087	1.6
157.10091	1.9
159.07953	1.4
159.11659	2.6
160.59264	1.5
161.09779	1.1
163.11195	1.7
165.09030	1.2
171.11714	1.6
177.12726	1.7
189.11243	6.9
195.13828	1.9
196.65921	1.1
205.12175	2.5
221.11443	1.4
223.13277	25.2
233.71471	1.0
245.18996	1.6
249.15079	1.6
263.20056	1.0
273.18533	12.4
291.19540	76.6
292.19861	5.4
312.94806	1.0
347.22290	1.5
365.23105	100.0
366.23550	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	365.232
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03939	5.2
55.01865	10.0
55.05509	22.3
57.03432	17.6
57.07066	7.9
59.05001	40.2
65.03924	4.7
67.05166	3.9
67.05504	63.3
69.03419	7.3
69.07070	21.1
71.04984	7.9
71.24679	2.7
71.43514	3.4
79.05492	43.0
81.03407	10.6
81.07054	66.5
81.09376	3.0
83.04985	18.9
83.08610	10.6
85.06534	6.8
91.04942	5.4
91.05477	61.2
93.07047	49.9
95.04970	18.7
95.08601	23.4
97.06530	7.9
105.07029	51.4
107.04957	13.9
107.08587	35.5
109.06518	11.7
109.10146	32.3
111.08072	8.8
115.11209	6.7
117.07016	7.6
119.08597	15.5
121.06496	9.1
121.10146	13.4
123.08064	5.3
123.11710	8.9
129.06984	7.6
131.08516	15.2
133.06474	11.6
133.10126	78.2
135.08049	14.9
135.11676	7.3
137.09618	3.5
139.07520	2.9
141.07025	4.2
143.08513	6.4
145.10120	9.6
147.08067	8.1
147.11673	5.6
149.09612	18.8
151.11176	36.3
157.10085	4.4
159.08038	3.4
159.11694	4.1
161.09593	7.6
161.13153	3.6
163.11096	3.7
169.12265	6.6
173.15462	3.0
175.11148	5.3
177.09100	4.5
203.14394	2.9
227.17828	3.4
234.12311	3.5
245.18994	9.0
253.14360	46.3
263.19971	4.7
269.13892	4.7
273.18436	28.7
291.19534	19.0
333.20383	10.0
347.21970	21.9
365.23102	100.0
365.27609	5.3
366.23343	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	365.2322
Annotation	Sinulaflexiolide H
Peak:m/z	Relative Intensity
53.03925	1.4
55.01867	2.1
55.05512	29.3
55.05779	1.6
55.68329	0.9
57.03429	1.5
57.07063	3.9
59.04977	0.9
65.03941	2.2
67.01851	1.3
67.05155	1.4
67.05496	12.8
68.14895	0.9
69.03418	1.7
69.06714	1.3
69.07066	21.2
69.76072	2.8
71.04981	4.9
71.08631	14.0
79.05486	8.0
81.03426	1.1
81.06567	1.0
81.07058	18.7
83.01337	3.9
83.04982	2.3
83.08614	17.1
83.79086	0.8
85.02893	1.1
85.06557	1.1
91.05486	7.1
93.03416	2.2
93.07051	6.6
95.04949	3.3
95.08606	16.3
97.06523	3.7
97.10166	6.0
98.23401	1.2
99.04448	1.5
99.08105	11.3
105.03390	1.2
105.07033	4.0
107.04967	2.0
107.08577	4.0
109.06515	7.0
109.10172	6.2
111.08099	0.9
115.11210	2.6
117.07020	2.7
119.04847	1.0
119.08557	2.3
121.06461	2.2
121.10141	3.4
123.04402	3.3
123.08098	1.6
123.11696	1.4
125.05993	6.2
127.03910	2.3
129.06946	2.7
131.08578	2.2
133.06490	1.3
133.10104	1.3
135.04436	1.4
135.08037	1.5
135.11665	1.5
137.05972	26.1
137.09671	0.9
138.06223	0.8
139.03889	19.1
139.07492	1.6
140.04677	10.1
141.05470	8.6
142.80023	0.8
143.08554	1.6
145.10114	2.5
147.07974	2.4
147.11703	1.2
149.05972	1.6
151.03830	1.0
151.07523	3.7
153.05458	36.6
155.07027	12.9
157.06409	0.9
157.10187	0.9
161.05989	3.1
161.09613	1.6
163.03943	4.5
163.07547	2.5
163.11148	0.9
165.05469	3.8
165.09093	2.5
167.03401	27.7
167.07040	4.3
168.04158	12.2
169.04968	27.2
169.06419	1.3
171.11676	1.4
173.05980	0.9
173.09666	1.0
175.03929	1.7
175.07556	3.0
175.14880	1.0
177.05484	6.4
177.09100	3.0
177.16443	2.2
179.07048	3.6
181.04971	6.4
181.08603	1.6
182.05629	1.4
183.06525	53.5
184.06821	2.1
185.09561	1.1
187.11197	1.5
189.05443	3.2
189.09106	2.0
189.12729	1.6
191.07047	2.8
191.10680	1.2
193.04929	2.9
193.08606	3.8
195.06548	1.1
199.11208	1.5
201.09067	2.2
203.05275	2.1
203.06990	2.0
203.10695	1.1
203.14302	1.2
205.08594	2.8
205.12212	1.2
207.06514	2.9
207.10205	1.4
209.08122	1.5
217.08725	1.6
217.12218	2.8
219.10201	1.9
219.13817	1.1
233.11720	2.4
235.09711	1.0
239.16463	1.8
245.11803	1.7
249.14880	2.2
263.12744	2.1
269.18921	1.0
272.83389	0.9
287.20032	1.9
297.18112	1.1
298.55478	1.0
305.21301	1.9
315.19553	2.9
323.22192	1.0
333.20596	18.5
334.20862	1.2
337.23743	45.3
338.24240	4.8
347.22134	8.7
348.22592	1.2
365.10428	3.5
365.23193	100.0
366.23782	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	365.2325
Annotation	nor-Asbestinin A
Peak:m/z	Relative Intensity
53.03937	0.5
55.01863	1.0
55.05267	0.6
55.05514	7.2
57.03425	1.3
57.07067	1.3
57.87920	0.4
59.04983	0.9
65.03942	0.8
67.05505	8.6
68.99782	0.5
69.07068	6.2
69.85104	1.0
69.85488	0.8
71.04989	1.0
71.08633	35.5
72.08959	0.5
79.05499	1.7
81.03394	0.6
81.07059	9.2
83.08625	5.5
91.05474	1.0
93.07062	1.2
95.04970	3.6
95.08608	6.1
97.06540	0.5
97.10167	2.0
99.08098	22.2
100.08464	0.5
103.05477	1.1
105.07019	1.0
107.04944	1.5
107.08588	0.7
109.02877	3.0
109.06535	0.8
109.10168	3.0
111.04455	4.5
115.05470	0.9
117.07027	0.8
119.04936	0.8
121.06473	1.1
121.10182	0.9
123.04433	81.1
124.04781	1.7
127.03936	2.2
127.11233	1.7
129.06998	1.1
131.04936	1.8
133.06479	0.7
133.10117	0.7
135.04439	1.5
135.08073	0.8
137.05978	4.3
139.03906	17.6
140.04233	0.5
143.04924	1.0
145.06537	1.4
147.04424	2.8
147.08028	1.0
149.05981	21.4
150.06381	1.0
151.07587	0.6
153.05463	1.0
157.06526	1.8
157.10146	0.5
159.08081	0.7
160.05220	0.7
161.05995	6.4
163.03909	1.3
163.07552	11.0
164.04742	1.5
164.07965	0.6
165.05518	2.5
171.08049	3.0
173.09621	0.7
175.07547	14.4
177.05519	0.7
177.09071	0.9
179.07039	1.8
185.09590	0.5
189.09119	13.2
191.10712	0.8
195.17433	1.2
203.05341	0.6
203.10706	2.8
205.12286	0.6
217.12164	0.7
269.18954	0.8
287.20029	8.7
305.21124	9.0
306.21368	0.6
323.22168	67.2
324.22528	5.2
347.22177	100.0
348.22534	9.1
365.10574	1.7
365.23242	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75535	2.5
53.03940	4.5
53.78422	2.3
55.01608	2.4
55.01865	12.4
55.05509	39.1
57.03435	15.6
67.05502	59.6
69.03425	14.8
69.07067	44.5
71.04989	7.4
79.05491	49.4
79.65484	2.4
81.03416	14.2
81.07050	62.7
83.04981	14.3
83.08617	11.6
86.51278	2.8
91.05471	49.7
93.07040	42.6
95.04983	17.4
95.08604	30.6
97.02888	16.0
97.06518	7.3
97.10171	15.5
98.23466	8.7
102.63599	2.7
105.04537	3.2
105.07020	38.5
107.04956	13.9
107.08576	28.5
109.06531	6.6
109.10155	21.2
111.08044	5.7
117.07010	7.7
117.40918	2.9
119.08572	17.2
121.06509	9.7
121.10143	12.1
123.08075	5.6
123.11691	4.7
125.09622	11.5
127.07555	3.3
129.07022	6.2
131.08565	19.3
133.06505	11.1
133.10121	37.5
135.08034	9.9
135.08980	2.7
135.11693	7.8
137.05962	3.2
137.09616	4.1
139.07487	3.5
143.08545	7.9
145.10080	7.6
147.08029	6.2
147.11697	4.9
149.09612	11.7
151.11174	19.3
153.08997	3.6
157.10155	4.7
159.07993	5.1
159.11697	4.5
161.09608	12.3
163.11066	5.2
169.12288	3.6
170.04494	2.7
171.11688	3.2
175.11172	4.1
177.09079	6.4
189.11212	6.9
205.12248	4.3
209.11592	2.7
215.12827	4.4
223.13243	28.9
245.18933	7.6
253.14276	16.1
255.17375	3.3
263.20053	10.7
269.13901	4.3
273.18488	30.1
279.11926	5.1
291.19516	97.0
292.19858	8.5
322.05618	2.8
347.22192	5.9
365.10223	3.8
365.19299	4.9
365.23196	100.0
366.23587	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01869	6.5
55.05260	1.7
55.05515	25.9
57.03213	1.1
57.03442	10.8
57.07076	1.6
61.10541	1.1
65.22401	1.2
67.01241	1.2
67.05159	2.1
67.05509	28.2
69.03434	11.2
69.06716	2.2
69.07072	39.5
71.04982	1.8
71.43108	2.0
73.66312	1.4
79.05496	23.5
81.03415	5.6
81.07060	18.0
81.76420	1.2
82.02995	1.1
82.07430	1.1
83.04978	3.8
83.08636	8.5
91.05480	14.0
93.07045	18.1
95.04966	8.0
95.08593	12.8
96.56081	1.3
97.02897	16.1
97.06527	3.7
97.10169	16.9
105.07034	10.4
107.04958	6.7
107.08592	12.4
109.02863	1.5
109.06537	2.4
109.10160	10.3
111.08096	2.2
115.05423	1.3
117.07019	6.1
119.08540	8.4
121.06496	2.1
121.10152	3.7
123.08051	3.6
125.09642	9.5
129.05536	1.3
129.06989	1.7
131.08551	6.1
133.10133	5.2
135.08055	2.7
135.11687	3.2
137.09607	1.9
143.08516	2.8
144.99124	1.3
145.10149	3.6
147.08046	4.7
147.11656	3.6
149.13264	1.9
153.09163	1.9
157.10126	2.6
159.11708	2.7
163.11223	3.3
165.09094	2.1
171.10248	1.5
175.11244	1.5
177.12872	1.8
189.11224	8.0
195.13850	2.1
205.12283	2.1
223.13289	30.8
236.76370	1.4
245.19083	1.7
252.39682	1.4
255.17418	1.6
263.20062	1.5
273.18500	10.1
291.19540	100.0
292.19882	5.6
365.23199	51.4
365.27551	3.2
366.23566	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	nor-Asbestinin A
Peak:m/z	Relative Intensity
53.03949	2.3
55.01862	4.7
55.05510	42.9
57.03433	4.4
57.07076	13.5
58.07430	1.7
59.05000	2.5
60.88988	1.5
61.02925	1.8
65.03938	6.5
67.05504	99.0
68.02659	1.6
68.99795	16.4
69.03416	2.4
69.07070	34.7
69.35860	5.7
71.01345	3.1
71.04977	4.0
71.08622	5.3
71.54402	1.6
74.09727	19.3
75.10044	1.7
77.03912	2.2
79.05043	2.3
79.05495	42.4
81.03401	2.2
81.07056	98.3
83.04985	12.0
83.08626	15.0
85.02902	31.3
85.06521	3.8
85.10174	2.9
87.04449	1.7
89.06036	7.6
91.05474	44.6
93.07043	51.9
95.04974	12.7
95.08606	91.1
97.02895	1.7
97.06531	8.1
97.10159	7.1
99.04434	3.6
99.08094	2.5
103.05467	5.7
105.03423	2.7
105.04513	3.5
105.07021	39.6
107.04961	6.4
107.08603	30.9
109.02880	4.5
109.06519	16.2
109.10156	39.9
109.70390	1.5
110.10551	2.0
111.04452	25.0
111.08099	5.9
113.02368	63.3
113.05956	2.7
115.03928	37.9
115.05457	5.3
117.07024	27.6
119.04942	3.8
119.08583	33.8
121.02924	1.5
121.06488	12.2
121.10152	25.3
123.04433	4.2
123.08068	6.1
123.11701	23.6
125.02355	3.1
125.05998	13.9
125.09627	1.9
127.03897	10.6
128.06218	5.9
129.05510	1.7
129.07010	22.5
130.82506	1.8
131.04924	3.8
131.08565	44.1
133.06496	9.8
133.10127	30.7
135.04485	3.9
135.08063	12.2
135.11699	11.0
137.05995	17.7
137.09639	5.5
137.13275	14.0
139.03891	47.0
139.07541	2.5
140.04227	2.1
141.05464	5.4
141.07008	3.1
141.73456	1.6
142.07799	4.3
143.03391	35.3
143.08566	20.7
145.06477	6.6
145.10117	36.5
145.11224	2.6
146.07323	2.0
147.04391	3.8
147.08058	10.4
147.11707	10.1
148.11981	2.0
149.06007	9.1
149.09595	11.3
149.13260	4.4
151.07536	12.4
151.09656	5.0
151.11189	4.8
151.14874	3.3
153.01808	3.9
153.05458	7.3
153.07034	2.2
153.09102	3.1
155.03426	4.3
155.08560	4.3
157.06480	3.7
157.10133	17.5
159.04430	1.7
159.08067	3.3
159.11684	24.7
161.05994	12.6
161.09563	8.3
161.13248	5.8
163.07513	13.7
163.11163	6.5
163.14833	5.9
165.05464	3.4
165.09105	6.9
165.16338	2.9
165.40872	1.7
166.07764	2.1
167.03410	5.6
167.07115	3.7
167.08595	5.0
167.14117	1.7
169.08751	2.0
169.10146	4.4
171.08054	6.4
171.11705	13.8
173.05994	2.9
173.09570	3.8
173.13237	10.7
175.07590	9.4
175.09781	1.7
175.11183	7.2
175.14824	8.3
177.05432	5.2
177.09102	10.2
177.12772	3.3
177.16359	7.3
179.07024	21.6
179.10623	3.8
181.08679	3.2
181.10017	8.0
181.15924	3.2
183.10101	1.9
183.11617	3.3
185.05881	1.8
185.09625	7.2
185.13272	7.1
187.07607	3.0
187.11269	2.4
187.14830	3.0
189.05408	3.6
189.09146	7.7
189.12767	4.9
189.16403	17.0
191.07008	5.7
191.10695	7.8
191.14394	2.6
193.08606	22.6
193.10185	3.0
195.06517	3.2
195.11765	4.8
197.08073	13.7
197.13223	3.2
199.07541	3.9
199.11194	6.9
199.14833	13.8
201.09108	2.6
201.16385	93.3
202.17000	11.2
203.10645	7.6
203.14331	5.2
203.17879	2.2
205.08632	4.4
205.12267	4.6
207.10155	8.4
207.13811	2.2
209.07973	8.2
209.11552	2.6
209.13370	2.5
211.09645	15.0
213.09007	4.4
213.12692	2.9
213.16385	12.0
217.08603	4.0
217.12199	7.3
217.15976	1.6
219.10167	4.2
219.13797	2.2
219.17470	10.0
221.11728	5.3
223.09659	5.7
223.14824	4.6
225.11250	4.7
227.17938	11.8
229.19379	2.1
231.10162	5.6
231.13786	2.4
231.17374	1.9
233.11678	2.6
235.13234	3.0
237.11250	5.8
237.16441	9.0
239.12782	2.3
239.17744	2.2
241.15843	2.7
245.11760	5.6
245.19022	4.9
249.11232	3.0
249.14755	3.7
251.12743	5.5
253.14236	2.2
255.12122	2.5
255.17424	13.3
259.13354	2.5
259.20566	5.5
261.22153	4.4
263.12817	4.0
265.16138	3.1
266.24512	1.9
267.24896	2.6
269.13800	6.7
269.19034	5.9
271.20493	3.5
273.15424	3.0
273.18423	23.2
277.14355	5.2
283.17014	18.1
287.20062	22.7
289.21655	15.8
297.18625	10.3
301.17969	14.9
305.21146	24.1
309.17007	2.8
315.19528	45.7
316.19876	3.1
319.22769	2.0
333.20581	100.0
334.20926	4.8
347.22244	4.1
364.31949	5.5
365.23203	22.7
365.32504	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	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.95971	0.3
55.01858	0.8
55.05511	4.8
57.03432	0.4
57.07073	2.7
67.05510	4.5
68.02635	0.4
68.99791	2.4
69.03415	0.4
69.07063	3.2
69.69320	0.9
69.69682	0.9
71.08632	6.2
79.05505	2.2
81.07066	3.3
83.08623	1.2
91.05486	1.3
91.15797	0.4
93.07035	1.3
95.04971	1.1
95.08594	2.0
97.06531	0.5
97.10144	0.5
98.23388	0.8
98.98472	0.7
99.04447	0.4
99.08115	2.5
101.02386	0.8
104.54348	0.4
105.07065	0.7
107.04950	1.8
107.08598	0.6
109.06528	1.0
109.10144	1.8
111.04445	0.5
117.07044	0.6
119.08571	0.6
121.06551	0.9
123.04414	0.5
125.02326	0.7
125.06006	0.4
127.03885	1.1
129.01833	1.3
131.08574	0.5
133.06479	0.6
135.05475	0.5
135.08064	0.6
135.11635	0.4
137.05975	30.7
138.06326	0.8
139.02890	0.4
139.03918	1.5
141.05386	0.4
147.07988	0.8
149.05931	0.6
149.09656	0.7
151.07552	1.4
155.01057	1.8
155.03410	2.4
159.08034	0.5
161.09677	0.5
163.07549	3.7
169.04964	7.7
177.09114	4.3
179.10661	0.6
181.08594	1.3
183.02887	3.8
183.06488	0.7
184.03661	2.5
185.04425	3.2
189.09166	0.7
197.04478	5.5
198.05247	6.1
199.05997	2.4
203.10747	0.6
207.10446	0.4
209.04419	0.5
209.11702	1.1
211.06009	19.4
211.20573	0.6
212.06392	0.6
225.07573	1.7
238.58675	0.4
263.16403	0.5
277.17523	0.5
329.24673	1.9
347.25775	16.1
347.29926	0.8
348.26199	1.4
365.23215	100.0
366.23514	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	365.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
57.03435	0.8
57.07070	1.0
59.31626	0.4
60.44380	0.4
66.25588	0.4
67.01867	0.6
67.05508	5.5
69.07055	1.0
69.21355	2.2
71.08633	16.1
77.14273	0.4
79.05499	3.6
81.07056	4.3
83.08611	1.7
85.06554	0.6
89.45197	0.5
91.05499	1.0
93.07036	1.0
94.04209	1.0
95.04965	0.7
95.08603	1.8
95.71026	0.4
97.10166	0.7
98.98518	0.5
99.08091	7.6
105.03368	0.4
107.04957	4.6
107.08586	1.0
107.30837	0.4
109.06512	2.5
109.10154	2.4
121.10193	0.5
123.04433	0.5
123.11702	0.7
125.05994	2.3
125.69090	0.4
127.11217	1.0
133.06497	0.5
135.05544	1.1
137.05981	100.0
138.06355	3.5
148.20061	0.4
149.06020	1.0
149.09616	0.5
151.07573	2.7
155.01024	0.6
163.07539	12.2
164.07870	0.8
175.07558	1.2
177.09108	11.4
189.09090	2.4
191.10735	2.4
203.10699	1.2
209.11913	0.5
217.12213	1.2
249.18481	0.4
303.08347	0.4
329.24725	5.6
347.25812	49.4
348.26169	5.3
365.23184	2.7
366.23679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Ciprostene
Peak:m/z	Relative Intensity
55.01857	0.5
55.05492	1.2
55.09853	0.4
57.07071	0.5
59.05011	0.5
64.97799	0.6
67.05509	4.4
69.07056	1.2
69.93277	0.4
69.93611	1.0
71.04965	0.5
71.08636	8.6
79.05495	1.3
81.07052	4.5
83.01341	0.5
83.08617	1.2
85.06555	0.5
88.16890	0.4
91.05480	1.8
93.07035	1.4
95.05006	0.4
95.08614	1.1
97.10151	1.3
98.22712	0.5
99.08098	4.0
104.99271	0.5
107.08585	0.6
109.06504	2.7
109.10145	2.8
115.06521	0.4
121.10142	0.9
123.08038	0.4
125.06000	1.1
135.11694	0.6
137.05978	100.0
138.06311	2.9
149.09610	0.6
151.07538	1.0
163.07565	5.3
177.09111	5.9
189.09122	0.6
191.10648	1.1
203.05257	0.8
205.19415	0.4
217.12350	0.4
252.17958	0.4
322.23038	0.4
329.24780	4.0
347.25803	29.5
348.26306	2.9
365.10312	0.9
365.23022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1162
Annotation	Taveuniamide F
Peak:m/z	Relative Intensity
51.61757	0.4
69.03429	0.5
69.78751	1.5
69.79089	0.6
71.51315	0.4
72.75440	0.4
81.03410	0.7
81.07069	1.0
85.02913	1.2
97.02853	1.0
97.18208	0.6
107.08658	0.5
109.02847	1.4
123.11721	0.9
127.03895	3.1
138.18201	0.5
140.14304	0.9
141.05499	0.5
185.04176	2.3
186.14874	1.1
187.03731	0.6
187.05992	0.9
202.50612	0.5
203.05252	1.0
204.06332	18.8
204.15993	1.4
205.04721	2.8
205.06526	0.9
243.52032	0.5
268.49023	0.5
313.09024	1.0
322.65408	0.5
353.96100	0.5
366.11575	100.0
367.09866	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1775
Annotation	isopentenyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
53.72703	0.2
57.03419	0.5
59.04996	0.2
60.04497	0.3
61.02916	0.6
66.15624	0.2
67.05492	0.4
69.03425	2.5
69.06710	0.3
69.07065	5.0
71.04987	1.4
73.02918	0.5
73.06522	0.5
81.03409	0.8
81.07065	1.3
85.02906	3.7
87.04472	0.5
93.07031	0.5
97.02880	2.0
97.06535	0.4
98.27500	0.2
99.04459	0.5
107.08598	0.4
109.02848	0.7
109.10145	1.0
117.09127	0.5
119.03537	0.7
121.10137	0.5
123.11697	3.2
127.03922	0.5
136.06177	100.0
137.04558	0.7
137.06631	1.8
139.85794	0.3
145.04910	0.4
148.06169	13.6
149.06535	0.3
151.11168	0.9
169.12225	2.2
178.07225	0.6
204.12434	58.3
205.12741	2.7
205.93332	0.3
311.84183	0.3
329.15732	0.3
366.17712	49.8
367.13498	0.3
367.17966	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01871	7.9
55.05507	2.4
56.50242	0.6
57.03445	5.5
60.11425	0.7
61.02928	5.7
67.05515	0.7
68.99799	2.3
69.03429	31.2
69.40439	1.0
69.40852	2.5
69.68147	0.8
70.03761	0.9
71.04989	4.3
71.69193	0.7
73.02921	6.7
79.05466	0.8
81.03419	23.6
81.07072	1.4
83.01337	0.8
83.04999	0.9
83.08605	1.3
85.02906	100.0
86.03214	1.3
87.00832	40.4
87.04474	1.4
91.03946	1.8
93.07094	1.0
97.02893	31.6
99.04459	11.4
102.41459	0.7
103.03941	0.8
105.01871	64.0
106.02204	1.0
108.04475	2.8
109.02878	23.7
111.08102	1.8
115.03931	1.2
117.01872	2.5
119.04871	0.9
126.05522	1.7
127.03921	64.3
128.04254	1.4
129.01848	3.5
135.08095	0.7
136.06180	14.2
139.07532	0.9
141.09119	1.4
145.04964	36.9
146.05383	0.7
147.02908	2.3
147.04427	2.4
151.07596	1.4
159.02872	11.2
167.10704	1.1
177.03978	0.8
189.03984	3.5
191.10663	1.1
198.31981	0.7
209.11737	4.3
213.04030	2.0
231.05013	20.2
232.05287	1.0
248.07637	1.7
249.06068	8.0
269.13849	2.1
295.11771	4.9
313.12918	1.8
331.13611	1.0
348.20401	1.0
366.21405	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02696	0.9
51.28296	0.9
53.03949	6.0
55.01870	8.9
55.05260	1.5
55.05514	23.3
57.03437	6.7
59.04985	1.2
61.02935	5.9
67.05499	4.2
67.64791	0.9
68.99788	1.8
69.03063	1.8
69.03432	34.8
69.07057	2.9
69.40894	4.1
71.01356	1.6
71.04988	8.1
73.02920	8.5
79.05492	3.1
80.04956	1.2
81.03421	29.2
81.07063	7.5
83.04985	3.6
83.08128	1.8
83.08621	32.2
85.02907	100.0
85.06529	2.7
86.03217	2.7
87.00833	41.5
91.03969	2.4
91.05484	3.6
93.07053	3.7
95.04981	1.9
95.08620	6.8
97.02895	35.2
97.06528	2.4
99.04461	18.0
99.08038	1.1
101.02393	1.1
101.09659	15.1
103.03974	2.7
105.01869	51.7
105.07013	5.2
107.08585	7.4
108.04488	4.0
109.02882	30.8
109.06515	1.6
109.10163	10.4
111.04447	1.3
111.08080	14.5
113.09643	1.8
115.03915	2.3
117.01836	3.4
119.08565	1.9
121.06508	1.6
121.10170	2.1
123.08049	3.1
123.11729	2.0
125.09634	4.6
126.05514	1.8
127.03919	75.3
127.07502	1.1
127.11203	1.1
128.04256	1.7
129.01862	4.0
131.08572	1.5
133.10143	7.3
135.08040	1.8
137.09605	3.1
139.07539	9.8
141.09100	4.2
145.04958	37.1
145.10078	1.5
146.05397	1.1
147.02898	3.0
147.04419	1.8
147.08028	1.3
149.09598	2.5
151.07541	6.0
151.11192	9.9
159.02882	22.7
163.11197	2.3
165.09138	1.4
167.10689	3.2
169.12248	11.3
173.09621	1.6
187.13393	1.1
189.03925	3.7
191.08125	1.9
191.10680	7.5
209.11729	20.4
213.03952	3.8
227.12775	3.8
231.04982	22.2
231.07071	1.9
232.05406	1.3
245.13850	1.8
248.07715	3.2
249.06020	4.8
251.13060	1.1
269.13843	4.0
275.19879	1.1
289.39844	1.1
295.11804	19.7
296.12061	1.2
300.94714	1.1
303.13232	1.6
307.12714	1.2
313.12796	5.2
331.13528	2.4
350.13287	2.7
366.12332	2.0
366.22498	2.3
367.11856	1.0
367.22723	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	366.1914
Annotation	Neosenkirkine
Peak:m/z	Relative Intensity
53.03940	2.1
55.05506	7.4
56.05028	2.3
57.07067	4.2
66.71098	1.9
67.05499	12.6
69.03429	14.6
69.07056	4.9
70.26826	2.6
70.27129	2.4
71.05019	3.6
74.06064	5.8
79.05489	6.8
81.03443	2.4
81.07053	20.7
82.65176	1.8
83.04980	18.8
83.08610	3.4
85.02905	10.8
85.06541	6.3
91.05485	10.0
93.07050	16.1
95.04973	5.9
95.08620	21.9
97.02898	6.9
99.04455	4.4
101.09646	3.2
102.05538	3.6
105.07010	9.5
107.08594	24.2
109.02885	9.3
109.06538	6.0
109.10165	15.3
111.04430	3.3
113.06017	4.9
115.05419	2.4
117.06981	4.1
119.04925	4.2
119.08574	11.0
120.06594	5.9
120.08112	2.1
121.06490	21.0
121.10120	2.3
123.08059	2.2
123.11700	18.9
124.12077	2.1
125.09637	2.6
126.58997	1.7
127.03919	4.3
128.06255	1.7
129.06970	2.9
131.08533	10.0
133.10118	11.1
135.08043	45.0
143.08559	4.9
144.09335	3.6
145.04921	3.9
145.06528	5.2
145.10101	8.5
147.04405	7.9
147.07996	3.3
149.09569	6.5
151.11188	22.5
157.10074	2.5
158.10960	4.9
159.08067	11.1
159.11699	14.7
160.08775	1.8
161.09595	3.6
163.07529	27.8
169.10092	2.3
169.12236	38.5
171.08046	5.5
172.08824	9.1
173.09618	12.1
173.13258	16.2
183.11653	5.0
186.10388	18.4
187.07538	2.5
187.11183	28.3
187.13185	4.3
196.08849	4.1
201.12735	35.9
202.13097	2.5
205.12135	8.8
211.11156	7.3
214.09918	3.3
214.97029	1.8
219.13777	6.5
229.12234	64.2
230.12604	4.3
247.13286	24.7
284.16373	2.3
302.17337	2.3
330.17139	9.3
331.13763	3.8
348.18036	100.0
349.18402	8.0
366.18909	3.8
366.22919	3.2
367.12643	2.2
375.63931	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.05517	3.2
61.02927	4.8
67.05505	5.5
69.03446	13.5
69.07066	32.5
69.77431	7.3
71.04993	17.1
73.06551	6.8
79.05492	2.4
81.03421	6.2
81.07059	22.7
83.08640	3.0
85.02898	35.7
87.00816	8.0
91.05460	4.3
93.07042	3.2
95.04982	3.4
95.08590	3.6
97.02887	16.3
97.06538	5.7
98.22771	4.8
99.04430	2.3
105.01868	18.8
107.08613	4.4
109.02899	9.5
109.06485	3.5
109.10149	10.1
119.04939	6.4
123.11701	100.0
124.12044	4.5
127.03918	23.2
133.10118	3.7
136.06186	99.7
137.06531	2.9
141.12766	3.1
145.04945	13.9
147.04405	29.7
148.06152	11.2
149.06599	2.6
151.11171	25.9
159.14110	2.5
169.08621	3.7
169.12245	50.3
170.12590	3.0
187.13348	3.6
190.31810	2.2
190.69707	2.2
204.12450	70.3
205.12683	2.4
231.04985	6.0
249.06079	4.9
251.10875	2.4
283.91757	2.2
366.17859	51.2
366.21762	2.9
367.17859	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39107	1.7
53.03946	2.4
55.05501	3.5
57.03436	3.5
57.07069	8.5
61.02922	2.6
67.05499	14.2
69.03423	4.9
69.07068	39.7
71.04987	9.5
79.05482	3.7
81.07052	29.8
83.08590	4.1
85.02905	12.1
85.06540	19.5
91.05473	5.8
93.07037	6.9
95.04972	3.8
95.08586	15.0
97.02898	6.9
99.04462	2.7
105.07037	3.8
107.08588	8.4
109.06533	3.0
109.10154	66.5
110.10508	2.3
111.08073	3.2
111.75794	2.0
113.06016	2.6
113.09669	2.5
117.09121	9.0
119.04942	4.1
123.11710	33.1
125.09637	6.1
127.03898	3.1
127.11182	34.0
133.10133	5.8
145.04973	3.5
147.04436	9.5
151.11160	26.3
161.07852	2.2
169.12227	100.0
170.12611	4.2
187.13287	8.0
216.68977	2.1
229.12273	3.3
247.13412	4.5
249.22649	1.9
279.54376	2.1
284.07202	2.0
331.17383	2.4
348.18082	4.0
367.17639	4.3
367.22980	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	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05511	2.9
57.03431	2.9
60.04534	2.5
61.02925	10.0
67.05501	6.2
69.03421	14.5
69.07066	9.5
70.36492	5.5
70.80984	2.7
71.04992	100.0
72.47285	2.4
73.02914	3.7
79.05494	7.7
81.03412	7.1
81.07055	68.6
83.04994	9.2
85.02902	65.0
91.03964	4.9
91.05473	4.1
93.07042	15.3
95.04980	5.5
95.08608	6.9
97.02897	14.5
98.22805	3.0
99.04434	2.6
99.08084	27.9
102.32719	2.2
105.07021	6.2
107.08595	14.7
109.02895	4.8
109.06539	5.0
109.10168	8.4
111.08060	4.4
122.46866	2.3
123.08064	5.7
123.11725	11.4
127.03897	22.4
133.10144	9.9
145.04950	41.4
147.08028	3.0
151.11153	14.0
163.06020	19.4
169.12273	7.4
178.05779	2.8
179.05954	2.4
189.76144	2.1
207.10190	3.1
225.11256	4.6
233.10178	5.5
236.11749	2.4
243.12231	6.1
261.13339	5.5
266.18417	2.3
366.22998	5.6
367.13647	6.3
371.79059	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	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.7
55.01868	2.9
55.05502	6.1
57.07064	1.9
59.04992	7.1
60.04517	3.3
60.84398	1.9
61.02921	4.4
62.68491	2.2
67.05499	8.4
69.03423	14.7
69.07072	15.6
69.40723	9.6
71.04997	52.1
72.08144	7.8
73.02936	2.7
73.06542	2.8
74.06073	3.2
75.27447	1.7
79.05495	9.5
81.03418	4.5
81.07061	50.8
82.07417	2.3
83.04974	5.0
85.02905	30.4
85.06546	5.3
86.09705	1.9
87.04463	7.2
91.03945	2.1
91.05470	6.4
93.07053	12.2
95.04957	5.6
95.08611	10.1
97.02887	6.9
97.06538	19.7
99.04459	3.8
99.08081	7.9
101.06026	3.0
105.07017	7.2
107.08591	14.2
109.02870	3.5
109.06504	5.9
109.10167	15.3
111.08054	7.9
113.05988	4.5
117.71024	1.8
119.04935	2.0
120.08078	3.1
121.10126	3.9
122.09631	2.2
123.08072	6.2
123.11705	17.3
125.09619	3.5
127.03920	9.3
127.11226	2.5
133.10132	6.2
136.06178	2.5
136.06509	3.1
136.07567	27.9
139.11165	4.0
141.09050	3.7
145.04974	8.7
151.07503	3.8
151.11182	38.5
155.41275	2.1
157.12180	3.1
163.06013	3.6
163.11281	2.1
164.14352	4.9
169.08594	5.9
169.12250	100.0
170.12547	3.4
173.12956	3.9
187.09723	9.5
187.13293	12.1
207.11285	11.4
234.13547	1.9
246.09479	36.7
268.16425	2.4
304.21149	8.1
323.19702	10.5
366.11627	65.7
366.28406	3.3
367.13837	26.1
367.22208	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
57.07079	3.0
59.04998	2.0
67.05502	14.7
67.21675	1.7
69.03419	5.3
69.07066	75.4
70.07403	2.7
71.04983	13.0
76.80503	1.8
79.05523	2.5
81.07057	25.3
85.02905	13.6
85.06540	13.7
91.05473	2.9
93.07063	3.4
95.04979	5.8
95.08614	11.8
105.07068	2.2
107.08581	10.6
109.10156	100.0
110.10507	2.8
111.08091	2.1
113.05999	5.6
123.11705	26.9
125.09612	4.3
127.03936	3.0
127.11203	24.3
128.09645	2.2
128.11485	1.8
133.10144	8.9
137.05956	2.4
145.04950	2.6
151.11176	21.8
163.07639	2.1
164.88747	1.7
169.12236	86.9
170.12613	1.9
187.13304	4.5
210.91283	1.7
304.74292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56123	0.5
53.03940	1.8
55.05509	1.4
57.03436	1.3
59.05006	0.6
61.02933	1.9
65.31142	0.6
67.05482	1.3
69.03445	4.0
69.75994	2.1
71.04987	8.1
73.02911	0.8
79.05489	13.7
81.03425	1.7
81.07056	100.0
82.07407	2.8
83.04982	8.2
83.08618	1.4
85.02909	13.3
86.44193	0.6
86.76521	0.6
91.03951	0.6
91.05497	1.8
93.07044	14.4
95.04970	2.5
95.08604	0.6
97.02902	3.3
97.34016	0.6
99.04452	1.0
99.08087	4.7
101.06016	1.1
105.07035	2.6
107.08598	1.9
109.02843	1.2
111.08085	1.2
117.32716	0.6
123.08096	1.2
123.11724	2.9
124.00084	0.5
125.82104	0.6
127.03906	3.3
129.83992	0.5
133.10118	5.9
135.11679	1.2
145.04976	4.5
148.83755	0.6
150.04341	0.6
151.11214	2.2
163.06023	1.8
207.10207	0.8
225.11258	2.0
243.12259	9.4
244.12570	0.7
265.99442	0.6
290.26315	0.6
309.44370	0.5
367.13553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04396	1.9
55.05519	15.1
59.05004	3.2
61.02681	2.1
61.02933	24.4
67.05493	3.0
69.03432	5.4
69.07098	2.1
70.68729	4.8
71.04991	6.0
77.31901	2.1
79.05481	4.7
81.07073	15.7
83.04979	20.9
83.08624	100.0
85.02909	14.8
86.09742	2.7
87.04470	10.0
91.05473	3.4
93.07036	2.5
95.04960	2.5
97.02908	2.9
105.05506	49.1
105.07008	9.8
107.08591	11.2
107.86846	2.4
109.10155	19.6
113.06009	33.0
119.04909	2.4
119.08598	11.7
120.08925	3.6
121.09365	2.3
123.11702	13.7
127.03966	3.4
127.11200	25.6
131.07031	6.6
133.10133	18.1
134.10481	5.3
135.10782	3.3
145.04878	3.0
147.04419	8.2
151.07651	3.2
151.11166	11.7
161.09639	4.0
169.12254	18.9
179.10675	9.7
180.10979	4.0
181.11223	4.6
187.13300	12.2
189.08997	2.4
205.47893	2.4
208.10364	2.8
210.92799	2.1
225.11176	4.7
227.11826	3.0
366.14084	2.7
367.13678	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01871	5.1
55.05508	2.4
57.03436	3.8
59.05002	20.7
60.04510	2.4
61.02921	2.8
66.69068	1.4
67.05513	9.3
67.39596	1.5
69.03428	6.8
69.07093	3.1
69.77293	4.2
71.05000	6.3
77.03949	2.1
79.05492	6.9
81.07053	53.7
81.07503	3.2
83.05002	2.2
83.08620	5.5
85.02906	18.3
85.06552	5.2
87.04476	15.2
89.06009	3.5
91.05487	16.8
93.07044	98.6
94.07379	2.5
95.04990	6.1
95.08613	6.2
97.02901	4.6
97.06529	2.0
99.04453	2.0
105.04549	2.2
105.07025	22.8
107.08587	12.3
109.06519	4.8
109.10161	11.9
111.08080	79.1
112.08433	2.5
113.05978	3.0
119.04933	4.8
121.10127	9.3
122.10471	1.6
123.08086	1.9
123.11699	23.4
127.03917	3.7
133.10126	23.5
147.04390	15.5
151.11179	47.3
152.71924	1.6
164.44347	1.9
169.12244	100.0
187.08842	2.0
187.13290	61.6
205.09990	2.7
234.19949	1.9
366.24069	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01871	1.7
55.05511	4.3
57.03428	2.5
63.26617	0.8
63.70605	0.9
67.05505	21.3
69.03431	5.3
69.07072	11.6
70.75552	1.0
71.04990	7.2
78.56072	0.7
79.05478	4.4
81.03413	2.6
81.07057	21.5
83.04990	8.4
83.08608	1.2
85.02911	14.8
85.06540	3.5
87.00832	2.2
87.04481	0.9
90.88540	0.9
91.05489	12.6
93.07042	8.8
95.04954	2.8
95.08600	2.5
97.02884	2.8
97.06519	1.5
99.04472	5.3
99.08086	0.9
105.01856	2.6
105.07030	15.3
106.07372	1.0
107.08591	20.8
108.08958	1.0
109.02883	2.6
109.06524	4.5
109.10159	50.0
110.10468	2.4
111.08097	3.1
112.06982	0.8
113.06019	4.6
119.03560	1.5
119.04961	8.6
123.11710	7.1
125.09658	1.2
127.03915	3.5
127.07591	4.3
130.06555	1.5
133.10127	45.0
134.10510	1.7
136.06186	100.0
137.04626	1.3
137.06531	2.4
137.09644	1.7
145.04996	1.2
147.04413	28.4
147.68436	0.8
151.11182	55.8
152.11473	1.9
155.10681	1.2
157.07561	1.3
158.06050	2.0
159.02917	1.4
169.12239	75.7
170.12576	3.1
175.08678	3.8
187.13257	3.9
188.87117	1.1
203.08217	3.2
221.09160	3.3
330.19037	2.3
348.20316	11.5
366.21384	24.3
367.21747	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	8.4
57.07087	7.8
59.70490	4.8
63.32658	4.2
65.57129	4.5
67.05500	9.9
67.12395	3.7
69.07079	5.1
70.32761	11.9
71.08642	7.3
81.07080	8.3
91.05495	4.5
91.20038	4.2
92.09126	4.2
95.04961	7.4
95.08604	9.4
104.53745	4.3
123.04440	18.9
126.03129	5.0
131.08601	5.7
134.60440	5.0
139.03943	26.5
141.05490	20.3
147.33305	5.5
149.02385	8.4
153.05432	9.4
153.09094	6.5
163.03944	18.7
163.07513	8.2
167.03401	12.1
169.04965	100.0
174.03505	5.1
177.05507	11.2
191.07191	4.5
193.08522	5.1
195.06531	7.1
247.20685	5.7
275.20065	16.3
303.19519	8.1
307.22678	85.5
308.23096	8.3
317.21094	12.9
335.22162	19.2
366.10904	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	367.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36834	54.2
60.24408	47.8
65.42481	54.7
111.08078	61.8
151.11227	93.8
155.83382	52.8
169.12181	100.0
247.01736	52.8
252.68985	56.6
288.61151	55.9
307.60837	54.4
367.04398	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89622	31.6
63.25654	37.5
68.20538	29.6
69.08764	26.3
69.59100	100.0
71.52145	27.2
85.82890	28.9
87.26260	31.9
93.07056	55.0
99.87891	28.2
107.71261	32.0
109.10185	48.1
133.10144	37.2
217.26436	34.0
367.03775	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	367.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.8
53.19343	6.2
53.77497	5.7
69.03409	15.4
69.61242	26.1
69.61595	8.2
73.02940	5.7
74.09698	6.9
81.03432	14.6
81.07059	12.0
85.02920	42.6
85.11624	6.6
87.00848	11.7
87.48098	6.5
91.05521	7.0
96.02608	6.4
97.02901	27.2
97.38791	7.3
98.04529	6.1
98.97579	8.1
105.01856	19.2
107.08609	7.8
109.02882	21.2
127.03916	38.2
144.72775	7.6
145.05008	18.2
159.02826	7.7
159.63535	6.0
186.05803	11.1
205.07202	8.8
205.27968	7.5
206.04414	12.0
207.79482	6.3
231.05017	10.8
340.17825	7.5
367.07349	100.0
367.19159	6.9
368.09598	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27798	6.1
70.62340	13.9
81.21104	6.3
89.58126	7.0
103.61197	5.9
107.24953	6.1
116.31331	5.9
116.77367	6.6
185.02031	7.7
212.64944	6.6
276.08331	7.5
367.07977	100.0
368.09451	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	367.1
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33488	0.3
55.56248	0.4
56.76515	0.3
57.55444	0.3
64.26977	0.3
64.77058	0.4
69.03428	0.4
69.50262	1.5
72.02550	0.3
78.06147	0.4
170.58752	0.4
181.29807	0.3
187.03685	5.6
201.58578	0.4
203.05255	1.3
205.04695	11.0
239.87697	0.4
248.33878	0.5
367.09979	100.0
368.10324	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21982	0.4
63.55467	0.4
69.23198	0.4
69.88461	1.6
84.49522	0.5
91.16640	0.4
109.59787	0.5
111.15060	0.4
117.31013	0.5
118.36103	0.5
185.04218	1.0
187.03665	5.2
196.04700	0.5
203.05212	1.3
205.04716	13.0
249.74916	0.5
367.09991	100.0
367.41168	0.5
368.10333	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	367.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.5
69.43565	0.6
69.43961	1.0
81.07057	0.6
83.05013	0.5
85.02894	1.1
97.02905	0.5
98.29184	0.4
128.98039	0.4
131.07042	1.4
143.06998	0.4
153.09067	0.4
169.12268	0.9
171.10104	0.4
187.03645	1.0
191.38889	0.5
205.04712	2.2
205.06421	0.5
229.98869	0.4
232.29524	0.4
258.98068	0.4
360.59933	0.5
367.09955	100.0
368.10220	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	367.1178
Annotation	Candidusin C
Peak:m/z	Relative Intensity
56.79771	0.4
70.88132	0.5
106.36942	0.4
131.06734	0.4
155.42467	0.5
173.06227	0.4
179.98842	0.4
240.07867	0.8
241.05026	0.6
253.05167	2.0
265.04919	1.6
265.08542	0.7
267.06503	0.6
268.07367	0.8
275.07156	0.5
279.06589	1.5
283.09644	3.5
292.07217	1.3
293.04477	1.5
293.08051	3.1
295.05887	0.5
297.07516	0.8
305.04437	5.9
306.04956	0.7
307.09570	1.1
308.10544	0.5
319.06082	0.9
325.07080	0.7
335.09103	2.8
336.09741	0.6
337.07071	19.5
338.07458	1.4
351.08755	2.6
351.12369	0.4
367.11761	100.0
368.12082	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	367.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74152	1.3
51.46516	1.3
55.05509	1.5
55.76577	1.5
56.96563	23.5
61.49501	1.1
65.56272	1.1
67.05484	3.2
69.03393	1.5
69.07067	2.0
69.25788	1.2
71.43426	1.3
79.05471	5.8
79.32895	1.2
81.07052	12.4
85.06035	1.3
91.05475	3.7
93.07005	2.7
95.08607	3.1
97.96786	2.4
105.06994	3.2
107.08609	2.4
108.08098	1.4
110.97569	4.2
115.80337	1.3
119.08546	2.5
128.98589	4.6
131.88408	1.2
141.02228	1.3
146.99617	2.7
147.11624	1.5
155.03732	1.6
173.01120	1.9
173.04855	2.0
175.81839	1.4
179.16232	1.9
185.04813	2.0
199.06372	4.2
203.05876	2.2
206.08060	1.4
211.06342	2.2
213.07941	6.5
217.07451	5.0
223.08360	2.5
225.07909	3.5
229.07468	13.6
231.09006	10.3
237.07893	1.7
239.09451	5.5
241.10991	5.3
243.08972	3.9
247.08458	6.3
251.09554	4.4
252.08578	1.6
255.09068	6.9
257.10587	2.5
259.12115	4.9
262.08511	1.9
269.10602	27.1
273.09836	4.0
275.19995	2.0
280.09677	1.8
287.11630	7.8
292.12082	3.7
293.09073	1.8
294.09818	1.6
297.09811	2.1
331.15759	10.0
339.09579	3.4
349.16800	12.6
367.17731	100.0
368.17978	9.3
372.18365	1.8
385.18961	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	367.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28061	1.7
55.05499	4.7
56.33968	1.5
56.59880	1.4
59.04992	2.6
61.02905	1.8
67.05497	4.3
69.03420	4.4
69.07066	15.3
71.04590	1.5
71.04991	30.9
79.05484	10.0
80.92447	1.5
81.03382	1.8
81.07056	86.5
82.07390	2.3
83.04971	4.8
83.08620	2.6
85.02910	14.8
93.07045	8.3
95.04952	2.5
95.08595	4.3
97.02892	1.8
97.06514	8.0
98.11730	1.6
99.08094	4.4
105.07066	2.0
107.08581	17.7
109.06485	3.2
109.10155	18.8
111.08082	5.1
111.11707	6.4
121.10146	2.1
123.11703	27.8
127.03909	2.0
133.10089	5.4
139.11172	12.6
145.04936	2.4
151.10052	2.5
151.11185	34.1
153.12708	7.6
157.12224	19.5
169.10916	2.9
169.12247	36.9
170.12459	1.5
187.13297	100.0
188.13640	5.1
205.14384	11.6
367.09854	6.3
367.13770	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05519	5.4
57.07058	2.8
59.05002	4.7
67.05489	5.0
69.03427	5.5
69.07069	14.5
69.65999	2.6
69.66351	6.9
71.04995	31.7
79.05486	9.7
81.07059	79.3
82.07394	4.2
83.04984	5.8
84.05328	1.9
85.02911	14.8
85.06554	3.3
86.03249	2.7
91.05469	2.8
93.07032	12.4
94.07346	2.4
95.04996	2.4
95.08599	4.2
97.02894	2.9
97.06543	6.3
99.08079	4.8
107.08601	21.1
108.08934	2.2
109.06499	3.7
109.10146	17.3
111.08105	4.4
111.11718	9.9
113.19316	2.0
121.10125	3.1
123.08096	2.2
123.11713	25.1
124.12053	4.8
127.03930	2.9
133.10132	6.1
135.11710	10.8
139.11165	11.3
141.12773	3.2
145.04973	2.8
146.05185	2.1
151.11200	28.9
152.11481	3.2
153.12730	49.4
157.12250	18.0
163.54311	2.9
169.12228	38.3
170.12593	3.0
173.32608	2.1
187.13300	100.0
188.13591	7.0
199.39243	2.5
205.14413	5.8
226.28961	2.1
367.15643	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70560	1.8
53.03947	5.0
55.01873	28.5
55.05512	38.3
57.03439	24.9
57.07069	9.9
59.05009	3.5
63.35190	2.1
65.03931	4.8
66.76726	1.9
67.05505	100.0
69.03419	4.2
69.07064	25.6
70.59159	3.9
71.04981	7.3
71.08642	13.8
79.05495	59.8
81.03414	18.3
81.07057	90.9
82.07407	2.3
83.04977	20.5
83.08618	20.6
85.02879	2.5
85.06536	10.8
85.10172	3.5
91.05481	82.2
91.06065	4.0
92.05825	3.0
93.07047	56.5
93.07610	4.1
94.64798	2.0
95.04964	28.1
95.05534	2.8
95.08606	42.8
97.02876	5.0
97.06552	11.8
97.10175	6.7
99.04484	2.6
99.08094	7.2
105.04534	2.8
105.07035	60.6
107.04950	16.4
107.08062	1.2
107.08595	46.6
109.06527	13.2
109.10157	58.2
111.04451	3.4
111.08092	6.6
113.09656	2.4
117.07007	9.9
119.08606	17.8
121.06532	7.0
121.10140	12.4
123.08055	12.7
123.11694	11.7
125.09626	12.2
127.07565	2.4
129.07018	3.4
131.08557	11.6
133.10126	93.6
134.10484	2.8
135.08058	5.5
135.11707	13.0
135.63010	1.9
137.09619	18.8
139.11188	2.6
143.08563	2.9
145.10133	12.5
147.10706	2.1
147.11644	10.2
149.09641	9.4
149.13261	4.9
151.11177	58.1
153.12717	3.5
159.11688	7.0
161.09631	7.0
161.13297	4.7
163.11176	11.7
163.14790	3.4
165.09131	5.3
165.12761	3.9
169.10092	2.0
169.12231	9.5
173.09608	2.9
173.13303	5.5
175.11224	2.4
176.15271	2.0
177.12788	7.2
179.10660	2.6
183.10234	2.0
191.10687	4.6
191.14279	4.1
193.12300	2.2
195.13870	3.7
199.13269	2.1
215.12827	3.2
229.19592	4.1
237.14606	18.9
239.17947	2.8
247.20590	7.0
251.97089	1.9
253.14351	8.6
257.18964	2.4
257.88776	2.0
267.16043	2.0
275.20071	40.7
276.20468	2.6
285.75809	1.9
293.21106	11.3
306.37497	1.9
313.17825	6.4
331.18881	2.8
349.23669	11.9
367.20804	6.6
367.24805	63.1
368.25235	5.7
368.31485	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	367.248
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03907	0.8
55.01873	3.8
55.05510	15.4
57.03439	6.5
57.07048	0.7
59.04972	1.2
59.46571	0.5
65.03894	0.6
67.05504	15.3
69.03412	2.8
69.07067	21.3
70.07393	0.7
70.38449	0.5
71.04955	0.7
71.08630	25.9
79.05495	12.4
81.03403	2.4
81.07056	14.0
83.04977	3.9
83.08616	4.7
85.06522	0.8
91.05474	6.6
93.07043	8.7
95.04957	3.6
95.08604	6.8
97.06496	1.9
97.10165	8.2
99.08095	19.1
105.07027	3.3
107.04931	2.2
107.07918	0.7
107.08590	7.3
109.06489	2.1
109.10151	5.3
111.04425	0.6
111.08030	1.3
111.11679	0.6
115.79053	0.4
117.06989	2.2
119.08549	2.0
121.06453	2.3
121.10142	3.5
123.08003	1.0
123.11697	0.8
125.09618	6.0
131.08522	2.2
133.10144	2.3
135.08022	1.7
135.11630	2.0
139.11118	0.9
143.10635	0.6
145.10132	1.1
147.08047	0.6
147.11647	1.2
147.97350	0.6
149.09570	1.3
149.13229	2.2
151.11140	1.3
153.09096	0.6
157.10072	1.0
159.11612	1.0
163.11172	0.6
164.11925	0.6
165.12735	1.6
167.10658	3.3
171.10175	0.8
171.11827	0.5
173.11754	1.1
173.13135	0.6
177.12767	2.6
179.10596	0.8
189.11205	5.2
193.12259	0.5
195.13809	1.2
213.14871	0.6
226.05153	0.5
227.12779	1.1
229.19418	1.1
237.14761	2.7
247.20554	1.7
265.21561	1.3
275.20078	7.4
293.21091	100.0
294.21494	6.4
349.23831	1.4
367.24777	37.4
368.25253	4.1
368.31216	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	367.2482
Annotation	Betaenone A
Peak:m/z	Relative Intensity
51.03773	1.2
55.01876	3.7
55.05507	10.7
56.93589	1.1
57.03436	5.2
57.07078	1.8
57.54410	1.2
67.05510	22.2
68.26878	1.3
69.07069	16.8
71.05017	2.3
71.08642	2.4
79.05492	20.0
81.07059	27.2
81.07507	2.1
82.07418	1.5
83.03333	1.3
83.04968	6.8
83.08633	3.7
85.06550	1.8
91.05487	20.3
91.06049	2.0
93.06457	1.4
93.07050	24.2
94.69098	1.1
95.04969	8.0
95.08613	17.9
95.31179	1.1
97.06534	3.5
97.10184	2.3
99.08116	1.7
103.05466	1.6
105.07030	23.5
107.04950	6.5
107.08604	16.8
109.06534	8.9
109.10135	9.1
111.08096	2.6
117.06293	1.3
117.07008	7.9
119.08583	13.8
121.06496	8.6
121.10150	9.2
123.08068	5.0
123.11723	2.4
129.06976	2.5
131.08580	17.8
133.06497	3.3
133.10133	15.9
134.00494	1.2
135.08054	5.3
135.11700	5.5
137.09587	3.0
143.08575	3.2
145.06459	2.7
145.10118	13.4
147.08105	2.0
147.11681	11.5
149.09657	4.9
149.13252	2.5
151.11215	4.9
155.08603	1.6
155.94322	1.4
157.10173	3.9
159.07990	1.8
159.11725	9.0
161.09663	3.7
161.13286	3.5
163.11140	7.2
169.10123	2.2
171.11655	2.2
173.09712	1.8
173.13289	5.0
175.11200	2.8
177.12767	2.8
183.11742	4.1
187.11108	2.2
191.14375	5.0
197.13326	2.3
201.12704	2.7
207.13817	3.7
215.18062	1.3
219.13811	3.7
229.19516	3.4
231.17383	1.6
237.14610	3.1
239.17920	2.2
247.20572	3.7
257.18997	16.2
262.94690	1.5
275.20068	100.0
276.20343	6.0
293.21136	11.0
349.23740	47.2
350.24069	3.1
367.20905	3.1
367.24799	24.0
368.24854	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15403	2.6
53.03938	4.3
55.01865	2.9
55.05508	20.8
57.07077	13.0
59.04987	2.5
65.03931	3.4
67.05159	4.2
67.05504	48.6
68.05804	3.1
69.03415	6.4
69.07063	20.5
69.12762	15.2
71.04990	9.9
71.08630	3.8
77.03950	2.7
79.05495	33.5
81.07053	50.8
81.50803	2.1
82.07342	2.4
83.04970	9.2
83.08617	11.0
85.06544	5.7
91.05482	65.1
92.05774	2.5
93.07047	90.2
94.07342	2.6
95.04969	44.3
95.08604	56.6
96.05296	2.3
97.06533	15.0
103.05477	3.3
105.04579	5.4
105.07030	100.0
106.07346	4.0
107.04948	2.6
107.08590	62.4
108.08893	3.4
109.06519	16.0
109.10159	39.9
110.10483	2.8
111.08062	4.9
115.05468	6.3
116.06196	3.4
117.07018	26.1
119.08578	89.9
121.06493	12.0
121.10149	46.9
122.10467	2.8
123.08064	5.8
123.11703	9.6
128.06226	14.0
129.07004	23.3
130.07768	9.6
131.08562	59.0
132.09360	2.4
133.06543	2.5
133.10127	64.6
135.08041	16.1
135.11688	24.9
137.09607	6.1
139.11192	2.8
141.07007	8.5
142.07800	23.2
143.08568	41.2
144.09384	12.1
145.06488	5.3
145.10115	58.9
146.07281	6.5
146.10487	3.7
147.07991	10.8
147.11671	22.7
149.09576	12.9
155.08562	15.2
156.09335	14.5
157.10123	49.2
158.10847	8.9
159.08075	5.0
159.11700	36.2
160.12383	2.5
161.09644	36.9
161.13261	6.4
163.11157	4.4
163.14844	2.9
165.07008	5.8
167.08530	5.1
168.09320	6.5
169.10141	16.6
170.10918	8.0
171.11684	26.3
172.12239	5.3
173.09650	7.4
173.13274	26.1
175.11201	5.1
175.14771	17.0
179.08585	10.3
180.09279	3.8
181.10078	10.8
182.10834	3.2
183.11661	20.4
184.12392	5.3
185.09587	2.7
185.13225	11.8
186.13885	2.4
187.14819	8.7
193.10146	3.3
194.10976	5.4
195.11670	10.8
196.12428	7.0
197.13298	16.0
199.11099	2.9
199.14833	12.5
201.12698	6.7
201.16425	6.7
207.11617	4.3
209.13271	18.2
210.13881	4.2
211.14783	5.6
213.12770	3.6
213.16269	4.1
223.14772	5.5
225.16362	2.8
225.97037	2.4
227.14255	11.1
231.11708	3.4
237.16556	4.0
239.17903	6.3
242.16469	2.8
251.18040	2.6
253.19493	3.2
255.17346	3.6
257.18982	4.5
269.19000	3.9
275.33884	2.4
283.20526	3.4
293.18973	3.2
349.25134	5.5
367.25980	10.3
368.42670	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	368.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
57.03423	0.7
61.02910	1.0
69.03426	2.3
71.04977	0.4
73.02908	0.6
81.03439	1.1
85.02408	0.3
85.02901	5.1
87.04467	0.4
91.03932	0.4
97.02895	1.9
99.04451	0.4
107.04960	0.2
109.02867	0.5
111.04443	0.2
116.18377	0.2
119.38784	0.2
127.03901	1.4
132.04451	5.7
135.04381	0.2
141.27049	0.2
145.05008	1.3
153.05467	0.3
160.03943	0.8
161.63287	0.3
171.06436	0.3
178.04990	62.4
179.05348	2.3
199.01817	0.2
206.04486	100.0
207.02945	0.4
207.04811	4.1
313.78394	0.2
314.18118	0.2
368.09866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01870	5.4
57.03427	6.2
61.02915	6.3
64.73093	0.9
67.05510	0.8
67.96281	0.9
68.99783	2.4
69.03427	33.0
69.07062	2.1
69.41777	1.5
69.42172	3.6
71.05010	4.5
71.08635	1.6
73.02925	6.3
81.03416	19.9
83.08603	1.2
85.02901	100.0
86.03233	1.5
87.00829	37.1
87.04494	1.0
91.03954	1.1
95.08640	1.1
97.02889	28.3
97.06535	1.4
98.23435	1.7
99.04443	11.7
99.08091	2.8
101.02358	1.1
103.03932	0.9
105.01864	75.6
108.04479	2.8
108.81355	0.9
109.02872	26.1
109.10148	3.5
115.03986	1.3
117.01813	1.7
118.35487	0.8
124.61504	1.0
126.05511	1.7
127.03912	72.0
127.11217	1.1
128.04248	1.7
129.01822	3.0
133.46945	0.8
135.11678	3.5
139.03972	0.9
145.04959	40.0
145.12250	6.6
146.05301	1.1
147.02872	2.2
153.12730	5.2
159.02867	13.8
171.02919	1.5
171.13840	7.9
177.03979	1.6
189.03915	3.7
189.14876	2.9
196.11285	1.0
211.13336	1.7
213.03998	3.3
230.06471	1.2
231.04982	26.0
232.05270	1.4
237.27560	0.8
248.07779	1.0
249.06085	7.1
251.15369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32626	0.9
55.05500	2.9
57.32039	0.9
58.83986	1.1
59.04997	1.4
62.07666	1.1
67.05487	2.2
69.07050	3.3
69.45827	4.0
71.04987	17.1
72.05350	1.2
73.06543	2.5
79.05478	4.4
81.07057	23.6
82.07384	2.9
83.04971	1.6
83.08569	1.2
85.02901	3.9
85.06520	1.8
93.07036	14.7
93.99466	0.9
94.82713	1.2
95.08589	2.6
97.06518	2.1
102.57810	1.3
107.08591	10.3
108.08974	1.3
109.10152	3.4
110.10506	1.2
111.08065	1.4
124.12087	1.3
129.09128	2.6
135.11691	21.2
152.11531	2.3
153.12737	100.0
154.13066	4.2
157.12283	1.2
158.12630	1.2
169.12196	1.6
170.12532	2.6
171.10152	4.0
171.13850	1.5
187.07608	1.0
187.13243	4.6
188.13696	5.9
189.11223	3.2
207.06502	2.7
259.07886	2.7
280.15540	1.4
299.11008	1.4
368.13422	2.9
369.12381	22.7
369.15500	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	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05517	1.9
57.03432	1.3
57.07086	1.4
59.04993	2.8
67.05504	2.5
69.03428	2.4
69.07076	7.6
69.36200	3.5
71.04994	16.5
73.06556	3.5
79.05500	4.1
81.03439	1.1
81.07062	16.4
83.08619	1.2
84.07755	1.2
85.02905	9.0
88.84296	1.2
90.39146	1.0
91.05476	2.4
93.07045	13.8
95.08597	4.3
97.02909	1.2
97.06525	2.2
105.07016	1.2
107.08598	13.4
109.10167	4.2
123.11723	5.5
125.13245	1.6
127.03934	1.5
135.11699	24.6
136.11992	1.2
141.12723	4.5
145.05035	1.6
153.12746	100.0
154.13069	4.3
165.12907	1.0
171.13812	19.4
189.12773	2.6
189.14864	3.6
259.07932	5.3
298.50143	1.0
368.13605	6.1
369.11581	1.2
369.15222	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	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.3
57.03433	3.1
59.04994	3.7
67.05498	12.8
69.03426	5.8
69.07069	42.0
69.15109	13.7
71.05008	4.1
79.05486	9.3
81.03401	3.7
81.07055	32.3
83.04962	6.3
83.08614	9.9
85.02908	19.7
85.06594	2.8
91.05495	7.4
93.07042	41.7
95.04962	3.0
95.08023	4.1
95.08603	50.6
97.02871	3.8
97.06527	7.2
105.07008	3.1
107.08587	45.1
109.10156	36.7
109.10870	3.3
110.10464	3.2
111.04458	7.2
115.05426	2.4
123.11713	11.6
124.25902	2.5
131.08495	3.5
133.06482	3.1
135.11693	71.2
136.12053	3.7
137.05956	5.0
137.13274	4.0
140.20805	2.4
145.04944	2.6
153.05461	7.1
153.12743	100.0
154.13031	3.0
161.05956	4.8
171.13808	23.4
175.03940	4.2
189.14902	16.0
189.16379	3.1
203.05295	5.9
206.08107	3.3
207.06493	5.2
273.09650	5.2
357.38547	2.9
369.14703	52.5
369.19049	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	368.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01860	4.2
55.05499	4.4
57.03434	25.8
67.05501	11.7
69.03426	5.9
69.07064	16.0
69.30618	4.3
69.31033	5.3
71.04984	4.7
79.05489	2.5
81.07039	5.9
83.04961	2.2
83.08607	11.2
85.02916	10.5
85.06525	3.4
93.07060	3.0
95.08625	3.1
97.02888	2.4
97.06512	5.1
99.08099	4.0
107.08576	4.1
109.10148	62.9
111.08081	6.1
123.30384	2.0
125.09631	2.8
127.03945	2.0
127.11196	63.1
128.11562	2.7
131.10486	1.6
135.11728	4.0
143.10652	1.8
145.04961	2.2
153.12750	12.8
155.14281	5.7
171.10150	15.7
171.13792	100.0
172.14185	4.1
189.11212	4.9
288.48325	2.1
355.79343	2.0
368.17126	2.5
369.15039	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	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01871	5.6
55.05501	1.5
57.03440	7.1
57.07070	1.3
60.05740	0.5
61.02930	6.6
67.05509	2.4
68.99788	2.4
69.03429	34.6
69.07068	8.3
69.43480	2.3
71.04992	7.5
71.08630	4.8
73.02917	6.2
79.05525	0.7
81.02959	1.3
81.03416	19.0
81.07058	2.2
83.01347	0.7
83.04977	0.9
83.08611	1.8
85.02904	100.0
86.03233	1.7
87.00829	39.7
87.04461	1.4
91.03973	1.6
93.07055	2.0
95.08606	2.0
97.02891	28.8
97.06528	2.5
98.03207	1.0
99.04453	10.9
99.08086	7.1
105.01865	74.2
105.15050	0.7
106.02218	1.1
107.08582	1.5
108.04468	1.8
109.02875	25.4
109.10147	7.4
110.03231	1.0
111.04435	0.7
115.03944	0.8
115.07559	0.7
117.01861	2.2
126.05508	1.1
127.03913	73.5
127.11165	1.4
128.04231	1.9
129.01840	3.5
135.11673	7.1
138.99763	0.6
143.03343	0.6
145.04955	35.4
145.12234	18.1
146.05368	1.5
146.12599	0.8
147.02913	2.4
153.12738	11.3
159.02870	11.8
169.62939	0.6
171.13799	22.7
172.14095	1.0
189.03970	4.5
189.14841	5.6
196.27792	0.6
211.70575	0.6
213.04025	1.9
231.04991	22.9
232.05269	1.0
248.07658	1.2
249.06075	7.7
298.11389	0.7
308.22189	1.0
369.19171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.75333	0.6
59.28414	0.6
61.02928	0.5
64.23052	0.6
67.05506	0.8
69.03444	0.8
69.07066	100.0
70.04426	1.6
70.07404	2.1
85.02884	2.7
97.02940	0.7
97.24110	0.5
98.22652	0.5
100.11281	2.4
103.07583	2.6
140.99417	0.6
145.04974	0.6
156.13857	1.4
168.13876	1.9
170.44664	0.6
171.13794	35.6
172.14153	1.7
175.07574	0.7
189.14803	4.3
196.13405	2.3
283.20319	1.8
326.94797	0.6
350.27957	0.8
368.29147	2.9
369.09528	1.7
369.18790	0.7
385.45889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16581	6.5
55.05512	14.6
62.06093	35.4
67.05504	22.1
69.07058	18.7
69.89664	14.6
69.90029	10.6
71.95718	6.0
79.05525	7.7
81.07056	15.5
82.94560	5.7
91.05465	7.3
93.03427	7.3
93.07047	6.6
95.08618	18.9
97.10139	6.2
103.98440	6.2
105.34274	6.0
123.04430	16.1
123.27623	7.0
127.62823	5.7
137.06036	7.7
139.03976	13.0
141.05511	18.2
149.05972	17.2
153.05511	13.4
158.13455	7.4
167.03409	26.4
169.04976	64.4
175.07553	7.3
179.07053	7.0
189.09145	8.5
189.16307	7.0
193.08609	19.9
199.21524	6.4
209.08058	7.3
305.21094	23.9
307.19138	8.2
309.20779	10.5
315.19623	15.6
368.31360	100.0
368.42633	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	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84017	1.3
53.64537	1.2
55.01891	1.9
55.05507	2.6
57.07076	14.6
61.88430	1.3
67.05500	2.7
69.07087	1.6
69.42011	4.1
71.04989	2.6
79.05501	2.2
81.07061	1.9
83.04959	1.3
83.08616	1.3
91.05469	2.7
95.08601	4.2
98.22702	2.3
105.07050	1.8
107.04951	1.6
115.05445	1.8
115.13033	1.5
119.04917	5.1
125.05978	3.7
127.11189	3.0
133.06523	7.0
133.07391	1.3
133.34666	1.4
137.05948	9.1
147.04402	14.8
149.06006	1.8
151.07739	1.6
153.05463	18.5
161.06004	16.0
163.07509	4.5
165.05450	3.2
169.15840	3.7
175.07524	3.4
179.07007	12.9
183.53386	1.3
189.09131	5.2
193.08589	32.9
193.31042	1.5
194.08859	1.8
259.16916	5.1
273.18533	2.0
291.19550	100.0
292.19968	9.5
309.20483	4.9
319.98511	1.5
368.42392	5.0
389.20544	1.4
394.14273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97331	1.5
55.05512	6.9
56.52469	1.4
57.03413	1.9
57.07065	3.7
61.88283	1.3
67.05521	9.1
69.03442	3.2
69.07074	8.1
71.04965	1.4
71.08617	1.8
72.04517	91.3
79.05491	7.9
79.82691	1.6
81.07053	9.3
83.04981	2.5
91.05481	5.5
93.07040	14.9
95.04980	3.3
95.08599	4.4
97.02895	11.3
97.06538	3.3
97.10162	2.7
100.07627	2.3
105.07034	4.4
107.08598	2.6
107.17732	1.6
109.06532	2.5
111.04430	6.6
113.06020	2.5
114.09161	11.8
119.08562	3.8
121.06501	6.8
121.10139	12.5
123.04439	24.1
125.77864	1.7
128.10732	5.9
129.06998	1.7
131.08582	11.9
139.11113	3.3
142.12312	1.8
147.08031	3.9
147.11671	2.2
149.09619	14.3
161.13275	4.1
167.10666	14.9
171.11661	1.8
172.94336	1.6
184.16969	63.1
189.12743	3.0
202.18019	100.0
203.18396	3.5
235.13225	2.9
253.14352	9.6
262.18063	3.1
265.59988	1.6
268.45996	1.5
280.19058	49.9
280.51849	1.6
281.19449	2.8
289.48273	1.7
294.21310	3.4
350.26804	2.2
368.12933	5.7
368.28314	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	369.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25478	8.5
62.20126	9.0
70.60423	12.3
70.60757	10.6
81.07071	21.7
85.02898	11.7
91.64722	8.7
107.08572	11.9
127.07552	13.9
135.11658	16.3
149.29651	10.1
151.32903	8.1
153.12764	16.5
154.95874	9.0
161.66916	9.8
162.30038	9.0
173.08096	11.9
206.59618	10.3
226.26848	10.7
327.06302	14.0
327.25253	10.0
366.91138	10.1
369.06290	100.0
369.07062	99.1
369.11691	23.8
369.15292	14.1
385.45953	10.0
385.51086	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	369.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60485	6.6
81.07055	27.4
85.02900	10.4
87.80905	3.4
92.55903	3.6
106.09528	4.0
109.06525	4.0
111.64622	4.5
127.07571	17.9
132.49072	3.2
135.11732	8.1
145.08621	18.4
153.12752	17.4
156.62500	3.7
173.08093	23.6
191.09164	8.5
207.06248	4.5
369.07776	100.0
369.11578	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90489	36.0
61.72725	35.9
73.29229	33.6
84.89633	32.4
89.60497	45.0
121.61198	35.6
130.08600	33.7
154.38469	36.1
173.75661	37.3
189.07701	41.8
196.87801	100.0
205.01877	31.9
212.85275	66.1
235.05699	54.5
369.06210	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	369.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
57.03434	1.4
57.07078	5.8
58.09191	0.8
59.04996	1.0
67.05500	3.0
69.03415	3.9
69.07067	10.3
69.29888	0.8
71.04987	1.7
73.02890	1.2
79.05493	2.0
81.03422	6.1
81.07057	7.3
83.08588	1.3
85.02893	7.1
85.06549	4.5
87.00840	1.3
87.04455	1.8
91.05468	1.6
93.07047	6.6
95.05014	0.9
95.08624	6.5
97.02863	3.1
97.06506	2.2
99.04436	0.9
104.99277	5.2
107.08591	7.8
109.02850	1.1
109.10160	7.5
115.03932	1.0
119.04862	1.5
119.08604	1.0
121.33817	1.0
123.11688	2.3
125.05937	1.5
127.03912	2.3
129.04446	0.9
135.11693	13.8
136.07533	2.0
137.13315	1.4
145.04939	2.0
145.08635	1.2
147.04411	13.5
151.03896	1.1
152.07036	1.8
153.12738	17.3
159.10162	6.1
164.07060	5.5
171.13803	5.5
177.05473	1.5
177.11223	3.0
179.68567	1.0
180.55608	0.9
182.08124	5.8
189.12556	1.2
189.14890	4.6
194.08017	1.4
207.06288	10.0
207.10114	1.3
207.13765	1.8
207.15959	0.9
208.09698	6.5
227.05196	1.2
283.07800	3.0
307.07718	0.9
317.12000	0.9
325.05347	1.8
325.08923	26.0
326.09064	1.3
333.14120	1.1
369.07800	100.0
369.11166	7.8
369.14886	18.3
370.08258	6.6
370.15768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06881	0.8
69.77202	3.0
93.08577	0.9
98.23308	1.7
127.00057	9.5
158.11270	0.9
203.10457	4.4
221.11566	1.5
263.12607	9.0
265.10547	4.7
307.11526	66.7
308.11771	5.0
325.12634	2.6
351.10446	2.3
369.11563	100.0
370.11963	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	369.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23719	0.6
69.03391	0.6
69.47375	0.6
71.18782	0.5
74.28647	0.5
76.82817	0.5
139.54733	0.5
156.71719	0.5
173.08182	0.7
185.04224	3.6
206.05498	3.8
207.06270	6.8
339.10522	0.7
369.11606	100.0
370.07944	0.6
370.12021	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	369.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41239	1.9
64.79178	1.7
67.05482	3.0
67.75094	1.6
69.07069	2.7
70.61846	1.8
71.11783	1.7
79.05464	2.2
80.20049	2.0
81.03423	2.1
81.07063	3.2
85.02905	2.1
93.07025	3.3
95.08589	3.9
97.02899	6.0
107.08567	2.2
109.10133	2.9
135.11711	6.9
137.05988	3.5
153.12717	5.4
154.13148	3.4
189.08994	7.3
189.12785	2.7
203.05269	3.5
207.13809	3.2
211.30597	2.0
228.06708	3.0
335.79691	2.3
369.12625	100.0
370.12924	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	369.1521
Annotation	Drosopterin
Peak:m/z	Relative Intensity
55.05511	0.8
69.45897	1.8
72.08155	4.6
76.86834	0.4
81.03363	0.4
98.97561	0.4
101.00900	0.5
105.30555	0.4
105.79955	0.4
119.01908	0.8
137.05949	0.4
141.63550	0.4
143.01930	0.5
151.03914	0.5
153.01884	0.6
157.50171	0.4
161.02965	0.4
162.66939	0.4
168.04788	0.5
203.05243	2.5
207.06609	0.5
207.09894	2.8
213.58376	0.4
369.15186	100.0
370.15567	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	369.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64280	0.7
56.56815	0.9
56.57093	0.9
59.63774	0.7
67.05499	0.8
69.30575	2.4
69.30977	1.9
71.06852	0.8
79.05497	0.8
81.07066	1.0
91.05479	1.9
93.07039	1.0
98.23512	1.6
105.07045	0.9
107.04958	1.5
107.80788	0.8
109.10187	0.8
119.04942	1.0
121.02882	1.4
123.04479	0.9
127.00050	1.2
137.06007	0.9
143.08612	1.1
147.04427	1.0
148.82385	0.8
149.02325	9.6
149.11572	0.9
152.60646	0.7
153.01810	8.1
177.09221	1.1
177.13345	0.8
189.12880	1.2
191.10541	2.2
201.03683	17.6
202.04314	0.9
203.05249	9.6
207.06717	1.9
207.09937	11.1
208.13466	1.0
215.07025	11.4
231.14009	0.9
243.06546	11.4
265.10608	2.8
271.06113	4.2
272.06607	1.1
307.11514	6.9
325.12643	2.3
325.16168	20.3
326.16721	1.6
369.11636	10.5
369.15372	100.0
370.15790	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	369.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64280	0.7
56.56815	0.9
56.57093	0.9
59.63774	0.7
67.05499	0.8
69.30575	2.4
69.30977	1.9
71.06852	0.8
79.05497	0.8
81.07066	1.0
91.05479	1.9
93.07039	1.0
98.23512	1.6
105.07045	0.9
107.04958	1.5
107.80788	0.8
109.10187	0.8
119.04942	1.0
121.02882	1.4
123.04479	0.9
127.00050	1.2
137.06007	0.9
143.08612	1.1
147.04427	1.0
148.82385	0.8
149.02325	9.6
149.11572	0.9
152.60646	0.7
153.01810	8.1
177.09221	1.1
177.13345	0.8
189.12880	1.2
191.10541	2.2
201.03683	17.6
202.04314	0.9
203.05249	9.6
207.06717	1.9
207.09937	11.1
208.13466	1.0
215.07025	11.4
231.14009	0.9
243.06546	11.4
265.10608	2.8
271.06113	4.2
272.06607	1.1
307.11514	6.9
325.12643	2.3
325.16168	20.3
326.16721	1.6
369.11636	10.5
369.15372	100.0
370.15790	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	369.1545
Annotation	Drosopterin
Peak:m/z	Relative Intensity
52.09934	0.2
53.34681	0.3
55.05500	0.5
57.03428	0.3
61.02929	0.3
65.03929	0.5
67.05513	0.5
68.99797	0.4
69.03428	1.9
69.78133	0.7
70.39383	0.2
70.63004	0.2
81.03424	0.6
81.07043	0.3
85.02900	3.4
87.04436	0.3
89.20130	0.2
95.04971	1.6
97.02892	0.6
98.23453	0.3
108.02080	2.1
109.02895	0.3
111.04443	0.7
121.03970	0.3
123.04416	1.7
127.00014	0.6
127.03906	0.3
137.05986	0.8
141.05466	14.7
142.05833	0.5
147.04404	0.3
151.03903	100.0
152.04242	3.3
152.08115	0.3
174.06789	0.4
175.03845	0.5
189.09135	1.1
193.05013	0.9
202.66795	0.3
207.10162	45.0
208.10533	2.2
263.12692	0.4
283.27856	0.3
296.07538	0.2
299.11047	0.5
307.11475	3.2
369.11478	3.6
369.15448	33.3
370.11655	0.3
370.15643	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1885
Annotation	His Val Asn
Peak:m/z	Relative Intensity
69.03437	0.7
69.34769	1.1
69.35175	1.4
81.07030	0.4
91.05487	0.4
101.02354	0.4
102.42732	0.4
105.07024	0.9
107.99718	0.4
137.05968	0.5
138.98734	0.5
149.76765	0.5
159.08080	0.5
174.10422	1.7
174.38666	0.4
189.12773	2.8
203.05402	0.6
207.06482	0.6
244.04269	0.4
288.01215	0.4
339.16245	0.5
350.79651	0.4
369.18860	100.0
370.19141	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40605	1.8
53.03952	1.9
55.01889	2.2
55.05506	3.7
61.02954	2.9
67.05501	2.9
69.03441	17.5
69.07066	3.8
71.44828	2.7
79.05495	12.2
81.03425	3.2
83.04985	6.8
83.08621	2.8
85.02920	15.1
85.06539	2.5
91.05508	5.4
93.07059	4.8
95.04967	4.4
95.08598	3.6
97.02925	4.5
103.05472	3.6
105.07052	7.2
107.04955	3.6
107.08586	9.7
109.02895	2.6
109.06564	3.7
119.08601	9.0
121.06483	9.4
121.10168	6.5
123.08075	5.5
123.98363	1.9
127.03903	4.8
131.08546	4.2
132.16621	2.3
133.06499	93.8
133.10130	12.8
134.06848	2.8
135.08080	6.8
137.02367	5.4
143.08543	3.0
145.04950	1.9
145.06535	2.9
145.10086	3.2
147.08063	3.0
147.11703	10.7
149.09627	3.5
151.07588	5.0
158.10933	2.1
159.08067	15.1
160.08844	2.8
161.09665	4.4
161.13237	6.3
163.11150	17.7
173.13281	3.6
174.10406	29.1
189.12741	100.0
190.13162	4.9
191.14302	47.6
195.98097	1.9
196.90016	1.9
207.06569	6.1
207.13802	49.9
313.68781	2.2
333.12460	2.6
341.06485	4.8
369.06036	10.3
369.14664	4.4
369.19043	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79017	11.9
56.96545	17.4
70.30959	26.9
94.94948	12.3
151.07489	20.9
231.08879	16.3
251.09326	11.2
269.10699	32.3
333.17368	17.8
333.23639	14.6
369.19992	100.0
387.20511	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25033	1.2
60.08154	1.6
62.98262	15.2
69.67844	2.8
87.67277	1.2
119.08590	3.4
131.19527	1.1
149.96848	1.0
271.44638	1.0
303.49133	1.2
368.38510	1.8
368.42551	6.2
369.20700	4.6
369.26114	100.0
369.38852	2.4
369.42993	2.6
370.26459	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86016	1.4
52.24091	1.4
53.03940	2.2
53.36554	1.8
55.01861	15.7
55.05509	67.5
57.03433	25.8
57.07078	8.8
59.95952	1.4
64.98707	1.4
65.03942	2.1
67.05501	72.2
69.03407	3.0
69.07066	34.8
71.04980	6.2
71.08627	49.0
79.05491	32.3
80.89487	1.4
81.03394	3.4
81.07052	100.0
82.07389	2.7
83.04973	13.6
83.08614	56.0
83.66596	1.4
85.06543	8.0
85.10181	5.4
91.05470	44.2
93.07040	39.7
94.27830	1.6
95.04951	11.3
95.08604	45.4
97.06523	16.4
97.10154	6.2
99.08091	42.9
105.04489	1.6
105.07018	34.4
107.04936	1.8
107.08589	25.9
109.06509	8.2
109.10149	16.4
111.08073	28.4
113.09648	8.6
117.06985	3.7
119.08566	28.1
121.06571	1.6
121.10132	20.9
123.08047	5.4
123.11691	14.1
125.09626	2.4
127.11166	3.7
129.06989	5.0
131.08539	6.9
133.10120	18.4
135.11694	11.0
137.09628	5.6
137.13272	3.8
139.11179	8.9
142.07727	1.7
143.08517	2.0
145.10103	7.6
147.11674	40.1
148.12051	1.9
148.29013	1.3
149.09637	7.7
149.13245	16.2
150.13702	1.8
151.11165	14.3
157.10141	6.2
159.11719	5.1
161.13234	11.1
163.11171	6.5
165.12743	24.7
167.14305	5.1
171.11765	1.7
173.11786	1.9
173.13176	2.6
175.11185	6.1
175.14882	3.8
177.12697	3.6
179.14320	12.1
185.13300	2.8
193.12206	3.5
195.13728	1.9
209.38283	1.5
231.21184	4.7
241.19521	5.5
249.22133	5.5
250.51506	1.8
259.20538	11.0
277.21619	78.1
278.21979	5.2
295.22638	13.4
329.51797	1.6
351.25232	16.0
359.27505	1.3
369.26337	93.0
370.26590	5.5
374.32544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.3
55.05523	20.1
55.55928	3.4
57.03436	17.7
57.07071	13.5
67.05511	41.7
69.03423	4.0
69.07067	21.7
71.04986	8.3
71.08639	4.6
79.05492	21.6
81.03418	7.7
81.07057	38.6
83.04971	4.8
83.08613	6.7
85.02920	4.1
85.06545	5.5
85.10187	30.6
91.05475	17.2
92.65453	2.9
93.07023	18.6
95.04956	14.4
95.08589	20.5
97.06516	4.7
99.08067	5.0
105.07037	20.2
105.36237	3.0
107.04979	3.8
107.08614	18.0
109.06525	5.0
109.10167	35.8
113.09642	25.5
119.08567	4.3
121.10132	12.0
123.08074	6.2
125.09599	5.3
131.08531	7.1
133.10126	16.9
145.10097	3.9
147.11691	6.9
149.09616	7.6
149.13297	5.4
151.11200	11.6
165.12753	36.0
169.12292	3.8
177.05482	36.2
178.06210	31.7
191.07027	12.8
233.11725	69.0
259.20596	4.8
271.85739	3.7
277.21634	69.0
295.22675	100.0
296.23032	6.6
351.25327	4.3
369.22263	4.4
369.26288	24.5
370.26480	5.6
392.03787	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33041	9.6
54.14351	11.8
54.50879	9.9
55.05500	20.2
57.07072	12.3
67.05508	49.3
69.07062	20.5
71.08624	59.4
75.05867	9.1
79.05500	46.9
80.94816	17.2
81.07051	63.9
83.04971	19.3
83.08601	10.2
90.23088	9.3
91.05473	34.5
93.07050	72.5
95.04939	20.9
95.08598	41.6
99.08088	29.0
105.07006	17.1
107.08621	47.5
109.10139	14.7
119.08567	16.3
121.10146	42.7
121.35802	9.9
121.85444	9.8
128.85136	10.5
131.16217	11.1
133.10124	11.2
135.11688	23.2
161.13261	15.0
163.11140	10.1
165.12775	54.5
173.13271	10.3
179.14334	100.0
191.10803	10.8
209.11784	14.0
215.70000	11.5
237.11261	21.5
246.67079	19.3
277.21606	60.6
283.97015	11.5
292.51346	10.5
293.17413	29.1
307.22769	13.2
351.25256	99.4
352.25726	12.3
369.19958	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	370.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01861	2.1
57.03434	2.1
59.04985	1.2
61.02930	1.8
64.67860	0.8
65.49070	0.7
67.01863	1.2
68.02645	1.3
69.03427	5.2
69.85249	2.7
71.04996	9.0
73.02913	1.9
79.01835	1.8
81.03409	2.0
81.07054	2.2
83.01347	1.3
83.04974	1.1
84.02125	4.9
85.02901	10.8
86.09706	2.4
87.04450	2.7
89.06033	1.5
95.01328	35.5
96.02130	0.9
97.02340	0.7
97.02898	4.4
98.97575	2.7
99.04455	17.8
101.02364	1.2
103.18712	0.7
110.07104	0.9
110.39561	0.7
110.97594	1.2
111.04428	10.5
113.00907	0.8
113.02342	3.9
114.03117	1.2
115.03959	1.4
116.98555	1.1
119.01915	1.5
125.02351	25.5
126.02669	1.2
127.03922	7.6
127.07557	1.8
129.01833	3.0
129.05504	1.7
131.01913	1.6
132.10204	0.9
132.58156	0.8
137.06107	0.7
141.01817	24.2
143.03397	34.8
145.03529	1.2
145.04958	1.9
145.08577	1.3
155.03394	14.1
155.07011	1.3
156.07681	1.5
157.08698	0.8
167.01933	1.6
173.04445	2.4
173.08092	3.4
185.02954	4.9
191.05502	100.0
191.09142	2.3
192.05843	3.2
203.04066	1.0
208.09764	0.8
209.02991	0.9
219.01732	1.9
220.98877	0.8
221.05167	0.9
237.02800	1.7
256.03757	0.9
257.03494	1.0
263.04022	1.2
310.04282	0.8
311.06064	8.2
329.07401	5.5
345.21732	0.7
358.27075	0.8
370.08020	2.9
371.08734	0.7
388.08188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1626
Annotation	Thr-Lys-OH
Peak:m/z	Relative Intensity
52.19001	0.5
56.32983	0.4
59.05005	2.7
67.05514	0.7
70.70634	0.6
74.11575	0.5
81.03393	0.5
81.07034	0.6
83.78770	0.4
93.07034	1.0
107.08585	0.6
107.18261	0.5
119.08563	0.5
121.10125	0.6
123.11677	1.7
133.10129	0.6
137.98618	0.4
144.58041	0.4
147.11781	0.6
173.13266	0.5
173.15376	0.5
191.14304	3.1
191.16385	0.8
208.06898	0.5
216.06259	0.5
217.31544	0.4
261.53833	0.5
266.09055	0.5
273.95166	0.4
370.16226	100.0
371.16580	9.6
375.10455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.6
59.09204	0.6
67.05512	1.0
67.65479	0.5
69.03429	1.9
69.59329	1.3
69.59740	1.4
71.04994	19.9
73.02924	0.6
81.03415	1.2
83.06444	0.5
85.02912	4.9
93.07047	1.6
95.04960	2.2
97.02885	1.6
98.22636	0.7
99.04486	0.6
105.01841	0.5
107.08590	1.5
111.97527	0.5
112.88141	0.6
113.06012	26.4
114.06274	1.3
121.10134	6.4
127.03923	0.9
127.07593	0.6
131.06276	0.5
131.07042	18.6
145.08600	100.0
146.08960	2.7
153.09187	0.8
155.06995	0.7
163.14810	1.0
166.90791	0.6
173.08110	14.3
173.09590	0.8
180.08667	0.8
191.09138	18.0
191.14314	1.1
208.11769	0.9
209.15402	3.1
371.16791	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	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28325	0.7
51.42498	0.7
54.39855	0.8
55.01861	1.3
55.05503	0.9
61.02920	0.9
63.50530	0.7
69.56915	1.5
69.57262	2.2
79.05499	1.8
81.03400	1.3
81.07055	19.0
81.97246	0.8
82.07391	0.8
83.04966	2.4
85.02915	4.6
85.06522	0.9
91.05482	1.5
93.07030	2.5
97.02903	1.0
109.02839	0.9
109.06514	29.5
110.07102	1.2
111.04435	13.5
119.04999	1.6
127.03878	1.1
127.07556	15.1
137.05971	60.6
138.06303	2.1
145.08575	1.3
147.04413	3.2
149.06023	0.9
150.44231	0.8
155.07024	18.5
156.07666	1.1
173.08089	100.0
174.08456	4.0
191.09155	28.3
192.09525	1.3
208.09752	1.1
311.84869	0.8
339.08252	1.0
370.11319	2.0
370.15326	1.7
371.09143	1.4
371.13110	3.8
371.17072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
57.07068	1.0
61.02919	0.8
65.55750	0.6
67.05457	0.6
69.03439	3.2
69.07085	0.5
69.59400	1.6
69.59769	1.0
71.04994	23.6
72.05326	0.6
81.03400	0.9
85.02921	6.7
85.06535	0.6
87.00823	1.4
87.04476	0.7
95.04979	0.8
97.02888	2.3
98.23457	1.1
99.04459	1.1
105.01860	1.5
109.02875	1.0
109.10175	0.6
113.06010	27.3
114.06349	0.9
124.58111	0.6
127.03907	3.8
127.07554	0.9
131.07048	23.7
131.08043	1.2
145.04967	1.6
145.08604	100.0
146.08954	3.4
173.08112	13.4
174.08398	0.7
180.08710	1.1
181.23048	0.5
191.09167	16.4
192.09474	0.6
231.05054	1.0
253.75760	0.6
317.12225	1.2
322.39050	0.5
370.15341	1.3
371.12982	1.0
371.16846	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	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
59.74567	1.4
61.02936	1.7
69.03427	4.2
69.48322	3.9
69.48740	2.5
76.49081	1.5
79.05481	4.2
81.03439	2.0
81.07054	96.0
82.07413	2.6
85.02900	18.3
88.12232	1.5
97.02891	4.1
99.08118	8.0
109.02905	1.5
109.06499	11.4
113.46755	1.4
126.84440	1.4
127.03965	2.0
127.07550	77.3
137.05969	5.9
145.05017	3.0
145.08588	63.8
146.08980	1.9
149.05960	5.0
155.07033	2.1
173.08090	100.0
174.08339	3.5
191.09131	28.0
209.08179	3.4
224.62469	1.5
292.97604	1.9
370.11639	4.5
370.15848	3.1
370.21048	1.9
371.09363	2.8
371.13147	1.5
371.16803	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	371.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	34.7
64.45012	5.0
65.71156	5.2
70.06577	13.2
81.07054	5.9
84.96028	7.7
86.09711	27.6
95.03413	5.7
97.02934	7.1
98.97586	100.0
106.24891	5.3
110.07204	11.0
110.97568	40.3
116.98626	31.1
128.98601	35.0
130.93271	8.7
132.10175	16.8
134.99635	11.0
141.59695	5.3
143.00204	9.8
146.47949	5.8
146.99675	9.7
152.98575	10.7
155.06779	6.0
156.07684	13.5
161.01268	8.6
170.99713	12.8
171.04439	10.7
172.94389	28.1
175.11937	8.0
179.09042	14.9
185.03075	5.6
189.05557	6.1
190.95422	22.1
192.44200	5.2
193.17329	5.8
197.10121	30.2
201.00627	9.1
208.96329	10.1
213.06409	6.1
216.96947	7.3
216.98837	7.1
219.01788	48.1
222.10892	5.9
232.96350	7.7
234.99791	9.0
237.02847	95.4
237.39728	6.0
240.11935	6.5
244.99557	12.1
251.13582	8.0
255.03770	6.7
257.01166	11.4
257.99670	17.5
263.00897	5.3
269.14697	41.9
275.01944	6.2
285.00732	10.4
287.02304	10.2
288.95547	7.1
294.00711	10.6
306.96402	11.8
311.03043	15.6
311.16748	12.0
312.01819	38.8
329.03302	70.2
330.02887	41.9
330.06757	10.9
347.04849	38.0
353.19098	6.5
371.06665	57.9
371.20032	30.4
389.07047	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06576	5.1
71.43867	5.2
80.87428	4.8
84.36833	4.8
85.02921	4.7
126.63200	4.8
127.03906	6.9
129.14940	5.0
130.15482	4.8
190.92680	5.1
226.68517	5.3
250.60396	5.7
277.07770	6.8
305.43777	5.2
315.85965	5.2
356.93079	5.4
371.03632	6.2
371.07370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73620	5.5
70.69125	10.4
71.09457	6.0
83.87800	5.7
88.86743	5.2
89.65419	5.7
101.16605	6.7
123.47896	6.0
248.61797	6.3
371.07376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1336
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
55.01876	1.1
57.03441	3.0
67.05498	0.6
68.99792	5.5
75.29034	0.5
78.36721	0.5
79.05477	0.6
81.03414	0.9
81.07058	5.0
85.02908	2.5
88.64317	0.5
91.05444	0.9
93.07034	1.7
95.04973	0.7
95.08585	1.6
99.04453	1.5
103.05462	1.5
107.04952	4.3
111.04407	0.7
117.07048	1.3
121.05714	0.9
121.06505	9.1
123.04427	25.6
124.04773	0.7
131.04903	0.9
135.08034	3.6
136.08350	0.5
145.06476	2.4
146.06004	1.3
147.04411	5.0
147.06517	0.5
149.05974	100.0
150.06291	4.4
153.57098	0.5
159.07953	0.7
161.05952	0.7
163.07539	27.0
164.07860	1.1
173.05977	3.1
187.07555	0.6
191.07028	34.7
192.07521	1.0
197.05966	0.5
209.08081	88.5
210.08452	4.8
215.07095	1.7
221.08165	0.7
233.08017	3.1
257.08240	0.8
275.09113	1.4
286.07401	0.5
316.21225	0.5
317.10217	0.6
341.74570	0.5
371.16788	22.8
372.17181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	3.9
67.78231	2.5
69.03423	4.7
69.35325	6.1
69.35740	6.2
85.02888	2.6
93.07043	4.5
98.26459	2.6
98.97584	3.1
105.07060	4.1
107.04994	3.2
107.08584	3.4
121.02895	3.0
129.05473	3.2
129.07045	2.9
131.65259	2.8
133.10107	3.1
137.05991	3.2
147.06648	3.8
147.08012	2.9
147.11728	2.3
167.07079	4.1
171.35002	2.4
172.48930	2.7
175.11429	2.5
187.07594	3.6
189.09117	2.6
191.14351	3.6
196.25941	2.4
203.05246	59.6
209.08096	2.9
209.15297	3.9
277.08502	4.1
321.11090	4.5
339.12131	5.9
371.14294	100.0
372.15222	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	371.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80325	1.2
57.36106	1.1
69.59500	4.5
72.24703	1.2
107.08652	1.2
109.10175	1.8
112.02479	1.3
131.08591	1.3
133.10130	10.0
137.09598	7.7
149.13303	1.5
156.15950	1.3
160.19113	1.3
162.13321	1.3
185.37286	1.2
191.14432	4.4
233.83699	1.4
234.55775	1.4
253.51735	1.3
327.14145	7.2
371.14590	100.0
372.14993	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	371.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.9
57.07092	2.1
58.55674	1.7
67.05505	4.6
71.05000	2.3
74.71831	1.6
79.05499	3.5
81.07044	4.5
83.78056	1.4
85.02901	4.3
89.33501	1.6
91.05479	2.3
93.07046	2.3
95.05013	1.4
95.08608	3.1
97.02866	2.3
98.97604	2.6
101.06008	2.6
105.07024	2.8
108.99324	1.7
111.04455	4.1
119.08578	1.8
121.10216	1.9
125.05988	1.9
130.76802	1.6
131.08566	2.6
133.10136	1.9
135.08037	1.8
137.05972	20.4
139.03905	6.6
143.08583	1.9
145.06451	1.6
147.06575	2.2
149.06046	2.0
149.09612	1.9
153.05504	1.8
156.09320	3.3
157.09993	1.8
158.98605	1.9
161.05977	2.4
163.07507	8.3
166.06259	4.1
171.11661	9.0
177.09192	3.4
179.06982	3.1
181.08578	2.2
182.88202	1.7
191.10623	15.8
193.08595	2.7
197.13309	2.2
201.03813	2.9
203.05223	18.5
203.06975	1.9
203.10707	2.4
209.11696	19.5
209.15366	3.2
229.08691	4.1
277.47116	1.8
307.01675	1.6
317.17456	5.8
317.20944	2.3
371.17111	100.0
371.20728	4.8
372.17075	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	371.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76948	1.1
55.05534	1.6
69.09359	6.7
78.15206	1.2
81.07079	1.6
93.07042	1.3
94.25033	1.0
95.08607	1.2
98.23514	2.5
101.05987	1.2
105.07050	1.2
107.08601	1.6
107.84879	1.3
109.10168	1.6
111.04504	1.5
115.14088	1.2
119.08645	1.4
121.06534	1.4
121.10146	1.8
128.06291	1.5
133.10133	2.3
137.02342	1.2
137.05975	2.6
137.09578	1.5
137.56618	1.1
145.06621	1.3
147.06631	1.1
147.11658	1.4
154.37105	1.3
167.07068	3.0
174.06721	1.8
175.07646	1.1
181.05013	1.2
183.02971	1.2
189.09067	1.5
191.14305	3.2
203.05264	100.0
204.05655	2.5
209.15393	1.6
215.99831	1.5
217.08607	1.6
273.37338	1.1
293.11780	1.4
339.12161	5.8
371.16953	75.4
372.16977	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	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
56.32441	0.4
57.07072	0.6
60.32547	0.4
63.95211	0.5
69.88300	1.0
69.88629	0.5
73.04628	0.5
111.30068	0.4
114.55741	0.4
118.75651	0.4
121.10153	0.4
183.35574	0.4
185.04091	0.5
193.12024	2.2
201.03751	2.2
203.05299	3.7
283.11447	0.7
301.12625	3.8
313.12534	1.3
329.53122	0.5
366.97812	0.4
371.16769	100.0
372.17139	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	371.1681
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
69.07150	1.4
69.07553	0.7
75.67657	0.3
89.06022	0.4
98.22711	0.6
136.38683	0.3
137.05966	0.3
151.03885	0.5
153.04362	0.3
182.32333	0.3
209.11473	0.6
210.11443	0.3
282.00848	0.3
289.08917	4.0
309.11960	0.4
349.88724	0.3
356.83453	0.3
371.16769	100.0
372.17081	7.5
372.21805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54742	0.5
55.05507	0.7
60.47140	0.4
61.06650	0.5
65.13075	0.6
67.05519	0.5
69.03442	0.8
69.41673	0.5
79.05502	0.7
81.03449	0.7
81.07049	1.3
85.02929	1.1
89.98920	0.5
91.05520	0.6
93.07050	1.1
95.05020	0.6
95.08557	0.5
107.04947	0.6
107.08588	1.9
109.10186	0.6
111.48284	0.5
119.04962	1.6
120.05320	1.0
123.05573	0.9
127.03997	0.7
131.08577	0.9
135.04420	7.2
135.05370	0.7
136.04784	3.9
137.06038	0.9
141.06627	1.9
149.09605	0.6
152.21034	0.5
163.11255	0.6
185.04291	1.1
191.10684	0.9
191.14235	0.7
203.05319	2.1
208.13339	9.6
209.11566	1.8
209.13634	16.8
217.08687	0.6
247.32179	0.6
283.11758	1.1
285.07654	0.7
301.12582	59.4
302.12894	2.4
302.78604	0.6
327.14117	2.4
339.12662	0.7
353.20767	1.1
371.13010	12.6
371.16888	100.0
372.13336	1.3
372.17276	6.1
389.42938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.168
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23139	1.2
69.23460	0.4
154.46461	0.2
173.64618	0.2
197.18353	0.2
209.11470	0.5
298.80811	0.2
319.69559	0.2
345.74155	0.2
371.16760	100.0
372.17062	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	371.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	1.0
57.07077	78.5
58.07418	1.0
69.03432	3.2
69.33006	4.4
78.53745	0.9
81.03431	0.8
85.02908	10.4
85.06542	47.1
86.06882	0.9
93.07043	1.0
97.02895	2.0
109.02882	1.7
125.05982	1.6
129.05544	2.2
137.06004	1.6
141.60219	0.9
147.06444	1.0
153.05415	1.2
163.07600	2.0
173.09656	0.8
183.02890	1.1
191.10684	1.1
205.12328	1.1
209.11725	100.0
210.12050	5.3
233.11731	1.3
242.30902	1.0
317.14148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.01871	2.6
57.62305	1.1
61.02905	1.7
67.05522	1.2
69.03424	5.7
69.07064	16.6
69.22721	4.5
69.23132	1.8
79.05511	2.1
81.03411	2.3
81.07041	1.6
83.04978	2.0
85.02899	8.0
91.05476	5.7
93.07047	12.4
95.08593	2.8
97.02866	2.6
97.06514	1.5
105.07027	3.8
107.08587	11.2
109.10148	1.4
115.82233	1.1
119.08553	3.6
121.06499	13.3
121.10136	9.7
123.08026	1.8
127.03918	2.0
131.08557	2.8
133.10124	6.3
135.07155	1.2
135.08040	6.7
135.11688	4.0
145.04930	1.3
145.10094	2.7
147.11679	33.1
149.09610	3.9
149.13229	6.4
151.11156	1.6
161.05299	1.3
161.09583	4.4
163.11119	1.3
173.13268	7.5
191.14301	100.0
192.14594	6.3
209.15384	2.4
238.78622	1.1
263.88025	1.3
339.12201	2.6
371.16968	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
55.05508	1.4
57.07070	2.3
59.05014	1.4
67.05506	2.6
69.03443	1.6
69.07069	16.9
69.19748	8.1
71.04996	4.1
79.05496	1.8
81.03422	4.3
81.07054	2.7
83.04980	2.9
85.02891	2.4
91.05489	5.4
93.07057	13.7
95.04948	2.4
95.08601	6.8
97.06530	3.8
105.07020	2.4
107.08581	10.8
109.02905	1.8
109.10165	3.6
111.08108	1.7
117.06967	1.4
119.08577	3.9
121.06512	15.4
121.10137	9.4
123.08076	1.8
127.03915	3.1
127.11188	2.3
131.08551	3.5
133.10121	9.2
133.45937	1.4
135.08049	7.3
135.11705	3.0
139.11209	3.9
145.10110	2.8
147.11693	29.5
147.12865	1.9
149.09625	4.0
149.13237	7.7
161.09625	3.6
163.11218	2.3
163.14838	2.2
167.10567	1.4
173.13263	9.6
176.12010	1.3
191.14302	100.0
191.42461	2.0
192.14647	7.1
209.15367	37.0
210.15730	2.6
232.03070	1.2
371.16370	1.8
389.14951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05510	1.9
67.05514	2.1
67.27222	0.8
69.03430	3.4
69.07097	1.0
70.36194	0.8
70.59978	0.8
71.05013	0.8
79.05484	2.8
81.07058	6.4
91.04942	0.7
91.05464	4.0
93.07059	1.4
95.08615	1.1
95.69618	1.0
105.07040	5.7
107.04947	1.1
107.08596	13.8
109.06526	4.6
109.10135	4.5
115.05447	1.8
117.07022	1.6
119.08588	2.2
121.10137	7.0
122.07280	4.0
131.08591	1.3
133.10129	100.0
134.10471	4.3
135.08058	10.6
135.11630	1.4
137.09618	63.6
137.60188	0.8
138.09959	2.7
147.11722	1.0
149.13271	8.9
157.64030	0.7
161.41693	0.9
163.14833	2.5
173.13249	6.1
191.14308	42.0
192.14705	2.7
209.15332	4.8
371.14731	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05500	1.7
57.03432	3.5
57.07075	1.3
61.02919	4.0
67.05505	2.3
68.75291	0.9
69.03427	11.5
69.07069	1.7
69.18962	1.0
70.69576	1.7
71.04983	1.7
71.08590	1.1
73.02921	1.6
79.05489	2.6
80.31245	1.1
81.03431	6.8
81.07079	2.1
82.79563	1.0
83.04977	1.4
83.08640	1.1
85.02903	35.5
85.03420	2.2
85.06536	1.9
91.03934	1.8
91.05478	2.8
93.07019	5.4
95.04960	2.0
95.08604	3.8
97.02885	8.5
99.04422	1.3
99.08121	1.5
105.07034	4.1
107.08588	4.2
109.02875	2.2
109.06497	3.7
109.10167	2.0
119.04931	1.2
119.08570	2.7
121.06465	1.3
121.10123	10.2
122.07243	1.5
123.08075	3.3
123.11700	1.6
127.03894	7.5
129.05402	1.0
131.08546	1.6
133.10120	2.2
135.08038	3.5
137.06056	1.9
137.09601	8.4
139.41466	1.1
145.04959	6.3
147.08102	1.5
147.11728	2.0
149.09615	100.0
149.13252	3.1
150.09979	4.3
151.11172	13.5
165.12753	29.5
166.13033	1.8
191.10637	4.3
191.14337	26.9
192.14622	2.4
203.05280	3.4
209.11641	3.3
209.15359	78.5
210.15657	7.2
371.16742	39.3
372.17099	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	2.3
69.03431	3.1
69.07077	2.2
69.38430	5.0
69.38812	4.2
74.20362	2.0
76.44527	1.8
79.05512	2.0
81.07066	6.1
85.02895	2.1
85.43406	1.9
91.05496	2.6
98.22726	2.4
105.07077	2.6
107.08594	12.0
109.06512	3.9
109.10149	3.7
119.08553	2.1
121.10139	10.5
122.07244	2.4
123.08060	2.3
129.78687	2.0
133.10130	100.0
134.10463	5.3
135.08032	10.6
137.09612	54.0
141.49164	2.0
149.13245	12.7
149.77026	2.0
159.67348	2.0
161.05455	2.0
163.14857	2.9
173.13248	6.3
179.37387	1.9
191.14322	36.8
200.61209	2.1
209.15366	7.0
280.15393	2.5
338.58292	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05507	4.2
57.03442	5.0
57.07082	2.8
59.04992	2.4
59.28642	0.9
61.02915	1.5
65.03923	1.0
67.05509	5.2
69.03426	5.3
69.07067	9.3
70.69666	1.8
71.04993	3.8
73.02924	1.4
79.05486	8.5
80.24535	0.9
81.03418	3.0
81.07057	6.4
83.04980	4.1
83.08620	4.3
85.02915	8.1
85.06550	5.0
85.77608	1.0
86.06049	1.4
91.05477	9.0
93.07046	32.3
95.04974	31.1
95.08601	5.7
97.02877	2.2
97.06505	2.1
97.10188	1.0
97.77534	1.0
99.04457	7.9
105.07031	7.8
107.08597	31.5
108.08943	1.3
109.06541	2.6
109.10165	3.2
111.08056	1.5
113.05998	5.3
115.07555	1.0
119.08567	9.1
121.10144	100.0
122.10490	4.4
123.08083	1.5
125.09637	1.6
127.03938	1.2
129.05544	1.6
131.07066	2.2
131.08557	1.5
132.07413	1.8
133.10121	5.5
135.08112	1.5
135.11697	4.7
139.11229	1.1
145.08603	7.4
145.10161	2.4
146.08943	8.0
147.11656	1.8
149.05992	1.0
149.09618	2.6
149.13300	1.0
151.11168	1.2
153.09125	11.4
154.09479	1.2
157.10173	0.9
161.09685	1.1
161.43587	1.0
162.05225	1.4
163.07523	0.9
163.14830	28.8
163.16200	1.9
164.15114	0.9
167.07057	1.5
167.14383	1.5
173.13216	5.3
181.12225	1.3
184.35330	1.0
185.08035	1.7
191.08984	1.2
191.14296	19.7
192.09550	2.5
193.12004	3.1
201.03770	6.1
203.05246	2.0
209.15366	44.7
210.15709	1.6
237.98177	1.3
275.16431	1.2
279.13879	0.9
299.16376	2.0
313.12503	1.8
327.13141	3.9
371.12280	3.1
371.16772	74.5
372.16995	8.2
387.69720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01860	1.0
55.05504	1.5
57.03436	1.5
57.07077	1.4
58.73101	0.6
59.04995	0.7
61.02908	1.4
65.03946	0.8
67.05499	2.8
69.03426	3.4
69.07059	4.0
69.21374	0.6
71.04990	4.6
71.08665	0.6
71.44875	0.7
73.02943	0.8
79.05478	1.8
81.03414	2.5
81.07064	4.7
83.04974	1.9
83.08620	2.7
84.04519	0.6
85.02906	11.8
85.06543	2.6
86.28635	0.7
87.21912	0.7
91.05484	2.6
93.07044	7.2
95.04967	100.0
95.08598	2.8
96.05299	3.4
97.02899	3.6
97.06523	1.2
99.04456	25.9
100.04813	0.7
103.03959	1.0
105.07028	2.5
106.06548	8.7
107.08591	6.5
109.02885	1.5
109.06524	2.5
109.10149	2.7
111.04446	0.8
111.08058	2.3
115.07580	1.2
119.08601	2.1
121.10137	14.6
121.10993	1.0
123.11727	1.7
125.09624	0.9
127.03893	3.3
131.08595	1.1
133.10138	6.7
135.08032	1.2
135.11671	1.1
137.09628	0.7
139.11191	5.9
145.04948	2.3
146.06032	1.3
147.04404	1.4
147.11691	0.8
149.13264	2.2
149.33658	0.7
151.11160	1.6
153.09099	34.2
154.09445	1.2
161.13318	0.8
163.13579	0.8
163.14819	4.2
167.14301	3.4
173.13269	5.2
188.07097	1.5
191.14297	5.5
192.06584	0.9
193.04837	0.7
193.15916	0.8
198.09171	0.8
203.05205	1.3
208.13292	0.7
209.04478	3.7
209.15361	38.1
210.05144	0.7
210.15652	2.4
236.12817	1.1
245.37215	0.6
252.12370	1.2
254.13841	4.5
273.20639	0.6
340.17523	2.2
354.19003	3.0
371.13333	3.0
371.16797	49.6
372.16867	3.4
372.21054	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	371.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29329	2.5
65.30215	2.2
69.36234	10.3
76.65935	2.1
77.19797	2.0
87.04443	2.6
91.05463	5.4
91.32709	2.5
258.87238	2.3
280.78168	2.3
371.21909	100.0
372.22101	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	371.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58209	0.9
54.53040	0.8
55.05516	10.0
56.31928	0.8
57.07066	2.9
67.05492	3.1
69.03429	0.7
69.07066	7.9
69.14979	3.9
69.15401	1.4
71.08618	1.3
73.40858	0.7
79.05480	2.0
81.07047	3.6
83.01334	3.6
83.08622	2.8
85.10181	0.9
87.04445	1.2
91.05468	2.3
93.07047	2.2
95.08613	2.7
97.10146	1.9
98.22746	2.3
98.23431	1.7
105.07038	2.3
107.08580	1.0
109.10143	1.6
115.05468	1.2
117.07024	2.0
119.08614	0.9
121.06471	1.6
128.06194	2.1
129.07013	2.3
131.08572	1.1
133.10172	1.0
135.08055	2.5
137.05963	11.4
143.08559	1.5
145.06450	1.9
147.08064	1.1
149.09625	1.5
151.07532	0.9
157.06552	1.1
160.05174	1.4
161.05971	6.5
162.06726	1.7
163.07541	16.0
167.08531	0.9
171.07925	1.2
174.06760	3.2
175.07542	16.6
176.08269	2.1
177.09065	4.9
187.07561	7.8
188.08223	0.8
189.05447	1.4
189.09090	11.1
191.07028	17.7
195.07959	0.8
198.06854	0.7
199.07487	1.4
200.08290	1.5
201.09088	3.0
203.07033	4.6
203.10686	4.3
204.07727	1.9
205.08621	2.5
212.08377	1.6
213.09097	3.5
214.09875	1.5
215.10599	4.2
217.08580	1.0
217.12231	2.1
227.10646	2.6
323.35596	0.9
343.26349	2.0
353.24881	3.0
370.40506	4.5
371.16467	7.9
371.25775	100.0
371.40933	2.8
372.26227	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	372.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01858	0.2
56.02539	0.2
56.33811	0.2
64.95782	0.2
67.85280	0.2
69.03397	0.4
69.07097	0.2
70.06584	0.2
79.05508	1.4
80.05001	0.3
81.03415	0.5
85.02908	1.0
87.00843	0.3
91.05465	0.3
95.04958	0.4
96.04461	0.3
97.02877	0.5
99.04443	0.2
101.06016	0.2
105.04498	0.3
106.06554	100.0
107.06234	0.2
107.06886	3.2
108.08107	0.2
109.02892	0.5
118.06545	0.9
124.07574	0.5
127.03899	0.4
130.06548	0.2
131.06987	0.3
145.04913	0.2
148.07657	0.2
167.03438	0.5
193.14154	0.4
195.13515	0.4
201.03676	0.5
201.05406	0.2
203.05255	0.5
210.11313	0.3
211.09422	0.6
211.15175	0.6
215.07019	0.4
229.07474	0.3
233.08150	0.3
349.37924	0.2
372.13351	0.3
372.17062	6.4
373.10599	0.3
373.14383	2.8
373.18350	6.9
381.02594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.0
55.05513	4.0
62.43110	1.1
67.05505	7.0
69.03423	6.3
69.07069	4.8
71.04979	3.8
76.59093	1.4
79.05496	19.2
79.87778	1.2
81.03438	2.0
81.07071	5.1
83.04992	2.9
85.02922	1.6
86.09708	4.1
87.00804	1.6
91.05478	23.4
92.05804	1.3
93.07050	16.2
95.04961	11.3
95.08621	3.3
97.02901	4.5
97.06497	8.3
99.04457	11.7
103.05460	1.5
105.07034	60.9
106.07363	1.6
107.04952	7.9
107.08595	20.6
109.06529	6.9
111.04459	1.9
115.05481	2.4
117.07016	9.3
119.04965	2.6
119.06095	2.9
119.08607	5.0
121.06504	33.1
122.06834	1.7
123.08084	3.4
125.05980	7.0
127.03946	3.1
128.06226	3.4
129.07004	4.3
130.07816	4.8
131.08607	10.9
133.06488	24.0
133.07397	2.3
133.10081	7.2
135.08116	6.6
137.06009	2.0
139.07468	1.3
141.06998	3.1
143.07013	7.8
143.08606	5.7
144.09325	3.7
145.06476	7.9
145.10130	50.5
146.10483	3.6
147.07996	3.0
147.11633	2.3
151.07568	8.3
154.07758	3.6
155.08588	7.5
156.84103	1.5
158.07286	13.4
159.08035	12.1
159.11699	28.4
161.09627	8.9
163.11212	1.5
169.10104	7.6
171.08093	2.4
171.11819	1.3
172.08842	5.4
173.09628	100.0
174.09979	5.2
179.08592	5.4
182.07227	3.5
187.11183	51.4
188.11484	3.0
189.09100	2.6
189.12856	1.9
191.10646	3.6
197.09621	14.4
205.12260	29.0
206.12592	2.2
215.10672	76.0
216.11046	3.6
227.07893	2.1
233.11725	65.4
234.12025	4.4
251.12723	12.5
269.13715	9.5
319.11670	2.5
337.12762	4.2
344.55548	1.4
355.13834	2.5
373.11322	9.0
373.18497	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	372.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85583	1.8
55.01868	2.5
57.03436	16.7
59.05005	4.1
60.04523	2.6
61.02922	3.4
69.03429	71.3
71.04963	2.1
71.76008	2.0
73.02912	2.4
75.04488	2.6
81.03421	3.1
81.07042	1.9
85.02901	90.6
86.03291	2.2
87.04465	49.5
91.03976	2.8
97.02889	57.7
99.04460	4.6
106.06599	2.2
108.40584	1.7
109.02875	5.7
110.87576	1.7
115.03117	3.6
115.03928	70.9
127.03912	16.6
133.04961	100.0
137.05969	2.4
145.04961	42.7
150.07613	6.6
163.06012	19.6
169.05022	2.5
173.08076	2.2
178.08643	4.0
188.94925	1.7
199.43373	1.7
211.05658	1.9
211.14441	2.8
223.06026	2.3
223.11742	6.7
237.46185	1.6
259.08002	5.7
277.09259	4.0
295.10107	3.9
329.12213	3.0
330.44675	2.0
356.71942	1.9
372.16852	6.3
373.10797	13.3
373.14798	6.7
373.18680	2.8
384.62469	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	373.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25380	0.7
59.87081	0.7
67.72943	0.8
71.22237	0.8
83.80894	0.8
85.02895	0.9
101.10633	0.6
122.42750	0.6
137.06027	1.6
143.75761	0.7
151.03928	0.8
167.06982	0.8
227.05347	0.9
267.11026	0.7
269.13681	2.0
287.14679	1.5
329.15683	16.0
373.14639	100.0
373.18484	41.9
374.14804	7.0
374.18777	2.0
374.23187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1776
Annotation	GS-2
Peak:m/z	Relative Intensity
50.28054	6.7
67.68384	6.8
69.85931	8.8
69.86263	16.2
72.04510	9.7
79.05493	7.7
86.21233	6.9
87.04499	13.3
115.95465	7.6
145.37134	7.0
173.03432	7.6
218.07074	7.3
225.25716	7.6
304.23978	7.2
343.08163	40.5
373.12836	52.3
373.17746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1837
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
50.16765	0.4
60.73888	0.4
64.09426	0.4
65.03953	0.4
67.05484	0.5
69.03435	1.0
69.44532	1.0
69.44920	0.7
72.08117	0.5
79.05508	0.5
81.03384	0.5
81.07066	0.6
84.08154	0.9
85.02900	0.7
86.09694	1.7
98.22714	0.9
106.06565	3.8
107.06877	2.4
115.03905	1.1
125.06000	0.5
129.10291	0.8
137.05951	0.4
149.06088	0.6
155.06941	0.5
157.04962	0.4
167.03395	2.8
181.04962	0.7
185.04312	0.5
193.12054	1.5
193.14143	1.7
195.13570	7.3
201.03711	9.0
203.05293	5.0
203.07021	0.6
211.09207	2.4
211.13307	0.6
211.15166	3.6
267.15213	0.5
329.15945	0.4
373.14420	10.9
373.18335	100.0
374.08606	0.8
374.14642	1.2
374.18686	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
69.03445	0.6
79.05476	0.6
81.03426	1.0
85.02892	1.0
91.05497	1.9
93.07040	0.6
105.01894	1.0
105.06984	0.6
107.04984	0.5
107.08623	0.8
109.02871	0.7
109.10185	0.5
111.04404	0.5
121.10144	0.7
127.03924	0.9
137.05991	3.1
151.03889	1.3
152.04286	0.5
153.05444	0.6
177.05481	0.4
179.07100	0.4
193.16020	0.4
203.05237	1.0
214.62996	0.5
241.09691	1.3
257.12903	1.2
259.10751	0.6
259.66022	0.5
271.04294	0.5
287.14581	1.0
313.10965	0.6
329.15686	7.1
330.16309	0.8
373.14514	36.4
373.18353	100.0
374.14865	3.0
374.18716	9.2
374.23373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
54.16144	0.3
62.89824	0.3
68.87348	0.3
69.78500	0.8
69.78893	0.8
81.07014	0.4
87.04465	0.9
89.69456	0.3
104.88855	0.4
120.08099	1.0
146.66454	0.4
155.68799	0.3
162.05528	1.8
163.07605	0.4
181.04968	0.4
192.17174	0.3
193.12115	0.9
195.10107	0.5
203.05211	0.6
208.05991	0.4
211.13055	1.3
264.10095	0.5
301.12567	3.5
373.18326	100.0
374.18640	6.9
387.77301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
64.71202	0.3
70.06231	0.3
70.06594	1.0
70.36053	0.4
85.02896	0.4
86.09707	0.4
98.23409	0.3
127.40955	0.3
137.05981	0.5
177.05537	0.6
195.06535	0.5
373.18332	100.0
374.14209	0.6
374.18643	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
57.13843	0.3
57.59798	0.3
69.07089	0.4
69.62267	1.2
75.77914	0.3
95.09859	0.3
127.92271	0.3
171.06270	0.4
182.90427	0.3
203.05254	5.5
211.12920	0.3
219.97070	0.4
221.14462	0.4
373.18317	100.0
374.18661	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	373.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80104	0.3
54.26268	0.3
59.27221	0.3
65.61147	0.3
69.03420	0.8
69.65078	1.3
79.05471	0.4
82.06345	0.3
85.02874	0.4
96.34628	0.3
98.23352	0.4
104.05064	0.3
110.00150	0.3
115.03924	0.6
124.72914	0.3
137.06067	0.5
155.06926	0.3
163.12906	0.3
164.82344	0.3
177.05463	1.1
193.12000	1.8
193.14101	1.4
195.06517	0.4
201.03595	0.5
203.05354	3.1
211.09395	0.3
211.13109	0.7
211.15158	2.2
220.88878	0.3
373.18311	100.0
374.14236	0.5
374.18643	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	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.4
71.04451	0.5
85.02868	0.4
86.09682	0.7
89.06020	0.4
93.09087	0.3
116.35846	0.3
124.07580	0.6
125.52299	0.3
177.05473	0.4
185.04108	0.3
203.05272	0.7
211.13072	0.6
212.12686	0.4
301.12616	7.5
329.15662	7.6
330.16171	0.7
373.18323	100.0
374.18619	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	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
54.16433	0.3
61.33480	0.3
69.97669	1.3
83.24502	0.4
85.02901	0.7
93.07064	0.5
98.23282	0.4
114.54670	0.4
127.03894	0.4
137.05937	1.9
163.07565	0.4
211.16914	0.9
233.73428	0.4
261.71054	0.4
355.17197	0.9
373.18323	100.0
374.18665	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	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82372	0.7
55.05509	1.9
61.74223	0.5
63.88502	0.6
67.05492	0.7
67.52480	0.6
69.02992	0.5
69.03419	1.2
69.07085	0.7
73.66919	0.5
78.14918	0.6
81.03429	0.5
81.07034	1.2
83.08614	1.8
83.91509	0.7
85.02905	2.6
91.05489	5.0
93.07077	0.9
95.08593	1.1
97.02892	0.9
100.07613	0.9
100.11247	4.4
105.01871	1.1
105.07027	1.1
107.08624	0.9
111.04422	2.1
112.07628	0.7
114.09173	0.6
119.08604	1.7
126.09183	1.0
127.03845	1.3
128.07059	1.7
130.22267	0.5
133.10121	1.0
137.05972	1.3
140.07117	1.1
145.04929	0.6
163.07547	0.6
167.51601	0.6
175.14851	1.0
182.15422	8.0
195.16928	0.6
210.14905	7.1
212.03857	0.7
228.16006	2.6
231.05077	0.7
273.09448	77.2
274.09814	3.5
303.13135	2.1
318.32687	0.7
337.21063	3.5
355.22226	4.1
373.18335	100.0
374.18723	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05515	0.8
57.03427	1.5
61.02920	1.3
62.35061	0.5
63.38358	0.5
64.74685	0.5
68.14394	0.5
69.03434	2.9
69.07072	3.7
71.44431	0.5
73.02934	1.0
77.77799	0.6
79.05480	2.7
81.03425	1.8
81.07059	1.7
83.04980	1.2
85.02409	0.6
85.02911	7.9
91.05474	1.5
92.99489	0.6
95.04965	2.0
95.08593	0.8
97.02885	1.8
103.03934	1.2
105.07016	1.4
107.04972	3.2
109.02871	1.3
109.06526	1.2
111.04446	1.2
111.42319	0.6
115.05454	0.5
117.03341	0.6
117.07024	1.0
119.08547	0.9
121.06490	1.1
123.07977	0.6
125.05961	1.2
127.03974	1.2
129.05486	1.7
129.06978	0.7
131.04915	1.4
132.05786	0.5
133.10153	0.6
135.08064	0.7
137.05978	100.0
138.06287	3.0
145.02875	1.5
145.04980	0.7
145.06496	1.0
146.07198	0.6
147.04448	0.8
147.08057	1.7
149.05939	0.9
151.07556	3.6
159.08063	0.6
160.05203	1.2
161.05981	19.8
161.07338	1.0
162.06485	1.1
163.07516	4.3
169.06526	0.6
174.06822	1.7
175.07535	9.4
177.05461	2.4
177.09085	1.6
179.07024	3.2
187.07578	1.5
187.11131	0.8
188.08304	0.7
189.05464	0.9
189.09058	1.6
189.12723	1.2
191.06960	0.7
191.10674	1.7
193.12242	59.7
194.12575	4.0
199.07497	0.6
201.05502	2.5
203.07028	8.9
203.10577	1.1
204.07234	0.7
205.12256	2.7
209.11763	0.7
211.13319	7.7
215.06921	0.8
215.10670	2.4
216.11456	0.7
217.08673	1.5
217.12242	12.0
221.11731	6.8
229.08661	0.8
229.12227	5.0
231.13818	1.8
233.11777	1.0
235.13306	4.2
245.08109	1.6
245.11804	0.8
247.13153	1.1
255.13638	0.8
259.13272	9.0
259.20389	0.6
263.09213	4.0
277.14420	1.8
283.13339	1.6
301.14423	2.5
319.15372	3.9
337.16528	1.2
373.18362	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.186
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
53.03938	0.7
55.01876	1.4
55.05511	1.6
57.03428	1.9
57.07061	2.3
58.74731	0.8
59.03103	0.6
61.02927	2.1
63.49063	0.7
65.92617	0.7
67.01866	0.7
67.05512	1.6
69.03413	3.6
69.07064	6.1
71.01324	0.8
71.04993	2.8
71.44930	1.0
73.02909	1.1
77.03943	1.1
79.05504	3.2
81.03412	3.0
81.07069	3.1
83.04974	1.6
85.02913	10.4
91.05478	2.4
93.07055	1.4
95.04968	0.9
95.08608	2.5
97.02870	2.7
103.03945	2.2
103.05470	1.0
105.07023	1.6
107.04951	3.7
107.08610	1.5
109.02921	0.8
109.06510	2.0
109.10150	5.2
111.04461	1.0
113.02433	0.7
115.05398	0.9
117.07092	0.7
119.08565	2.4
121.06548	1.1
123.04449	1.2
123.07998	0.8
123.11707	1.3
125.06007	1.6
127.03888	1.5
128.06276	0.6
129.05475	1.7
131.04903	1.5
131.08650	1.0
133.06430	0.8
133.10144	1.1
135.08060	1.6
135.11681	4.5
137.05977	100.0
138.06282	3.2
139.07565	3.1
144.05659	1.0
145.04933	0.9
145.06532	1.0
147.04404	1.4
147.08051	2.4
148.05177	0.8
149.05994	1.1
151.03947	0.8
151.07545	9.7
153.05434	0.7
157.10048	0.8
159.08109	0.9
160.05234	3.1
161.05980	26.3
162.06679	2.0
163.07542	20.2
164.07814	0.8
165.05615	0.6
171.07980	0.9
174.06792	5.4
175.07549	17.5
175.14821	1.7
176.08061	1.1
177.05545	1.7
177.09108	2.4
179.07069	3.0
187.07584	2.9
187.11119	1.2
188.08394	0.9
189.05446	0.7
189.09126	2.3
189.12737	1.8
190.06293	1.3
191.06961	1.2
191.10707	1.2
193.12242	55.6
193.15849	3.7
194.12566	3.2
195.10210	1.2
199.07512	2.2
200.08337	0.8
201.05479	2.7
201.09044	1.2
203.07016	8.4
203.10638	2.1
204.07518	1.0
204.88463	0.9
205.12219	12.6
209.11691	1.1
211.13332	7.0
211.16971	4.8
213.09015	1.3
215.10667	3.9
217.08621	2.2
217.12231	23.8
218.12495	1.6
221.11722	8.3
223.13329	2.6
227.07039	0.8
229.12248	8.1
231.13811	3.3
233.11800	2.6
233.15388	0.9
235.13275	7.8
241.12271	1.4
245.08003	1.5
255.13831	1.3
257.11502	0.9
259.13290	13.0
260.13647	1.0
263.09167	6.4
271.13287	0.8
273.14969	2.0
277.14420	1.4
283.13251	1.6
301.14374	3.4
319.15466	5.6
337.16476	1.6
373.18311	5.9
374.19675	0.8
374.23889	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
56.60038	0.9
57.03415	0.8
57.07085	1.8
67.05513	2.1
68.22345	0.8
69.07054	1.7
69.38887	4.1
70.06580	2.3
71.08624	1.2
72.96403	0.9
81.07034	1.7
83.08600	0.8
87.04472	2.6
88.07638	3.3
94.79417	0.8
95.08612	1.6
97.10163	1.2
102.09196	1.5
102.55242	0.9
104.91313	0.9
106.08714	1.1
117.05455	1.7
137.05966	10.1
151.07533	1.7
163.07545	2.3
177.09085	2.9
205.12271	1.5
207.13855	1.3
215.02620	0.9
312.32532	4.3
343.08173	3.0
373.13177	4.7
373.19855	100.0
373.31027	3.6
374.20154	11.7
374.36267	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	373.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13491	1.4
55.05503	4.7
55.96871	1.5
56.10862	1.2
67.05524	2.1
69.07071	4.1
69.65811	5.2
74.12695	1.4
81.07050	2.8
83.08592	2.1
87.04453	2.5
95.08594	2.8
98.22707	2.9
109.06493	1.5
119.27225	1.5
121.06515	2.0
137.05969	4.8
139.07550	3.8
151.07516	2.5
152.06996	2.4
153.05447	1.8
163.07562	4.9
164.04596	2.0
165.05484	2.6
167.07025	4.7
176.07037	1.9
177.05493	1.9
177.09102	2.4
179.05792	3.0
192.06514	1.7
194.08150	9.7
206.08183	12.1
331.18796	100.0
331.22247	3.6
332.19180	8.9
332.25708	1.8
343.08102	8.2
372.21576	3.2
373.13071	9.6
373.19724	8.1
373.23746	16.6
374.13257	1.6
374.26840	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	373.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02160	0.8
55.05495	2.3
55.10565	0.7
55.87346	0.7
62.99014	0.7
69.07060	1.7
69.47516	3.2
70.06593	4.3
72.11381	0.7
74.60277	0.7
80.94814	0.9
81.07056	1.0
83.01308	1.1
83.08595	0.8
85.87843	0.7
100.75600	0.7
107.08614	0.7
137.05968	3.3
151.07507	1.7
163.07590	3.9
177.09091	6.8
189.08960	0.9
191.10706	4.6
217.12178	0.8
281.56476	0.8
343.08243	3.0
355.18805	4.6
357.27771	2.3
373.12405	3.1
373.19821	100.0
374.20337	6.9
374.24631	0.9
374.25537	1.0
374.30469	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	373.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.1
58.88191	1.6
67.05489	2.6
70.32451	2.8
76.73109	1.5
79.05453	2.1
80.94836	3.0
81.07042	4.0
83.08602	3.9
95.08652	1.8
96.92309	1.5
102.30161	1.4
116.80263	1.3
122.39459	1.4
137.05965	26.4
163.07492	10.0
177.09113	9.9
190.24521	1.5
191.10646	3.4
200.20316	1.6
289.17905	3.4
335.76242	1.5
343.08075	5.0
355.18790	100.0
356.19202	10.4
356.23004	2.1
373.13101	7.3
373.19818	57.7
373.27438	6.0
374.20120	5.4
374.24341	1.7
374.30582	7.6
374.45755	1.6
395.39233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33078	0.4
56.96558	0.9
60.16496	0.5
69.32447	0.5
69.73077	1.4
75.19620	0.5
80.82354	0.5
88.07619	1.4
98.22673	0.6
98.23237	1.2
99.35721	0.5
101.82161	0.5
103.22626	0.5
111.19061	0.5
117.92397	0.4
127.95478	0.5
137.05957	1.7
144.84605	0.5
201.00690	1.2
227.99365	0.7
229.00217	0.7
331.18768	100.0
332.19089	7.6
343.08087	1.0
351.14685	2.7
369.15921	3.8
372.21509	2.8
372.34659	1.1
373.12540	1.9
373.19791	11.0
373.35141	0.9
374.16196	0.7
374.20154	0.6
392.17059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05502	4.5
55.24320	3.3
67.05492	12.6
69.03407	5.4
69.07059	12.5
70.67522	4.5
71.04987	4.8
81.07061	19.6
83.04944	10.5
83.08631	7.3
85.02916	7.9
91.05483	5.5
93.07019	11.1
95.08630	32.6
105.07030	6.4
107.08589	24.7
109.06511	9.9
109.10155	100.0
110.10466	4.5
119.08600	35.2
121.10147	10.1
123.08096	9.6
123.11699	9.2
133.10124	24.7
133.96660	4.0
134.10481	7.0
135.10661	5.4
135.11688	99.6
137.09607	19.8
149.13246	8.3
151.11179	10.0
151.14803	14.3
166.96336	4.6
168.60487	3.9
169.97807	4.2
175.14799	45.0
193.15883	59.1
211.16937	90.5
228.54713	3.7
238.05406	5.0
389.18304	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05513	4.8
57.03419	1.5
57.07072	1.1
58.31083	0.7
61.02916	2.0
67.05502	5.2
69.03426	3.6
69.07054	5.4
69.54445	3.3
69.54792	0.6
70.97948	0.7
71.04975	2.8
73.02929	0.8
79.05479	1.3
81.03410	2.0
81.07047	6.6
83.04972	1.8
83.08636	3.6
85.02907	13.9
85.06535	1.3
91.05464	1.0
93.07072	4.1
95.08601	12.5
97.02909	4.2
97.06526	2.1
97.10160	0.9
99.08113	1.2
105.07001	3.2
107.04957	1.3
107.08587	6.9
109.02906	1.5
109.06529	2.7
109.09417	1.4
109.10151	24.3
109.47704	0.8
111.08076	10.5
119.08574	12.6
121.10143	7.1
123.08060	11.4
123.11709	4.5
125.09579	1.3
127.03877	2.7
127.11140	0.7
131.04854	0.9
133.10130	12.8
135.11696	15.1
137.05988	13.8
137.09607	22.9
137.13281	1.1
138.10406	2.2
139.11153	1.5
145.04945	2.2
147.11658	1.8
149.13281	4.2
151.07524	2.1
151.11212	1.2
151.14781	2.4
160.05157	1.4
161.05984	6.3
163.07536	4.7
165.12735	3.6
165.16377	2.1
173.05997	0.9
174.06819	0.7
175.07541	5.6
175.14809	20.3
176.15149	1.7
189.09210	0.8
193.12221	6.8
193.15887	20.2
194.16269	0.9
203.07066	1.7
203.10767	0.8
205.12250	2.5
211.16920	100.0
212.17245	6.4
215.03430	1.0
217.12195	5.5
221.11758	2.4
229.12346	1.6
231.13701	0.9
235.13094	1.7
250.65724	0.8
259.13321	3.4
263.09158	0.8
283.13373	0.9
317.61191	0.8
319.15250	1.2
366.56967	0.8
373.18243	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	373.2375
Annotation	Pelorol
Peak:m/z	Relative Intensity
53.01463	0.1
55.05518	1.2
57.07051	0.3
67.05501	0.9
68.09650	0.1
68.42769	0.1
69.07037	0.6
69.81382	0.3
69.81768	0.3
70.06562	0.2
79.05472	0.2
81.07043	0.7
83.01325	0.2
83.08608	0.2
88.07600	0.2
91.05453	0.2
93.07032	0.2
95.08580	0.5
99.14001	0.1
105.07053	0.1
109.10104	0.3
123.04358	0.2
137.05975	2.0
139.03882	0.2
151.07507	0.2
152.00928	0.1
153.01828	2.2
153.05435	0.8
163.03860	0.9
163.07497	0.4
164.04578	0.2
167.03391	3.7
177.05440	0.6
177.09071	0.6
178.06210	0.1
179.03369	0.8
191.07022	0.2
191.10745	0.2
192.04161	4.4
193.04970	1.3
204.04182	1.5
205.04953	14.0
206.05717	8.4
207.06316	0.7
217.04933	0.3
218.05730	0.2
219.06511	24.0
220.07097	1.9
231.06517	0.4
233.05684	0.2
233.08066	3.4
245.08147	0.2
247.09586	0.9
261.11215	1.0
275.12772	1.0
289.14288	0.3
301.14551	0.2
303.15805	0.5
308.53561	0.2
315.15967	0.7
317.17477	0.2
329.17435	0.9
331.19104	0.2
331.26382	0.7
331.29953	0.2
343.08218	0.5
343.19223	0.3
373.23712	100.0
374.24054	9.0
374.36111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90982	0.2
55.01863	0.3
55.05514	1.9
57.07073	1.0
65.03941	0.2
65.30834	0.2
67.05504	1.6
69.07069	2.9
69.53012	0.8
71.08593	0.3
72.04486	0.2
79.05476	0.7
81.07059	3.1
83.01336	2.2
83.08611	1.8
87.53594	0.2
88.02215	0.4
91.05483	1.5
93.07005	0.4
95.08599	2.1
97.10173	1.2
97.24472	0.2
98.22730	0.3
105.07069	0.2
107.04871	0.2
107.06139	0.3
107.08597	0.4
109.06513	1.8
109.10165	1.1
111.11702	0.6
117.07006	0.8
119.08588	0.2
120.42665	0.2
121.06503	1.4
121.10125	0.3
123.08048	0.3
123.11726	0.3
125.06004	0.6
125.13281	0.2
131.08559	1.1
135.08069	1.4
137.05971	100.0
138.06305	3.4
145.06479	1.0
145.10194	0.4
146.66968	0.2
147.08044	1.0
148.05219	0.2
149.09637	2.2
151.07550	1.8
159.08047	2.0
161.09610	1.5
162.06749	0.6
163.07536	32.0
164.07881	0.9
165.09056	0.5
173.09656	0.7
173.13237	0.5
175.07529	0.5
177.09100	43.9
178.09416	1.7
179.06995	1.3
179.10559	0.2
187.11201	0.9
189.09055	0.3
191.10672	4.8
192.10777	0.2
193.08604	0.4
193.12231	0.6
201.09215	0.2
201.12741	2.3
203.10748	0.2
205.08611	0.8
205.12250	0.5
207.13779	0.3
209.80783	0.2
215.10677	0.5
215.14288	0.4
219.10182	1.7
219.13670	0.3
233.11897	0.3
235.17017	1.4
249.18524	0.4
285.25708	0.4
313.25223	2.3
329.24619	0.3
331.26291	61.7
332.19153	3.4
332.26620	6.0
343.08124	0.8
355.26175	0.7
373.12744	1.0
373.27368	3.1
373.31696	0.4
399.99225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.07063	1.7
67.05508	2.7
69.07064	3.9
69.22762	2.5
70.06583	1.6
70.18759	0.4
71.08609	1.2
79.05482	1.2
80.94831	0.7
81.07050	4.6
83.01334	1.7
83.08599	2.3
84.08150	1.0
85.10204	0.5
86.09695	1.7
88.07629	3.2
91.05473	1.3
93.07005	0.5
95.08622	3.7
97.10149	0.6
98.22681	1.0
98.23359	1.5
102.09216	0.8
102.12049	0.5
105.06992	0.7
105.07649	0.4
106.08685	0.6
106.14610	0.5
107.08598	0.7
107.38121	0.4
108.54470	0.4
109.06520	2.1
109.10143	2.1
111.11741	0.5
116.98582	0.4
117.07013	0.6
121.06508	2.0
121.10122	0.4
123.04427	0.9
123.11723	0.5
131.08562	1.2
133.06502	0.5
135.08040	1.5
137.05974	100.0
138.06328	3.4
142.65024	0.5
145.06340	0.6
145.10081	0.6
147.08090	1.1
149.09544	2.1
151.07561	2.9
159.08115	2.3
161.09579	0.9
162.06754	0.7
163.07529	13.7
163.08881	0.7
164.08000	0.5
165.12886	0.4
173.09592	1.2
173.13298	0.6
175.07573	0.8
177.09106	36.9
177.85477	0.4
178.09430	1.7
179.07021	0.6
179.10657	0.9
187.11224	0.8
189.09114	0.7
191.10661	10.2
201.12761	2.3
203.89299	0.4
205.12250	1.2
215.10664	1.4
215.14348	0.6
219.10181	2.4
233.11685	1.3
235.16975	5.2
249.18529	0.8
262.18341	0.5
271.23764	0.5
312.32675	1.3
313.25314	3.6
331.26297	52.8
332.26639	4.8
343.08093	1.9
355.26279	2.9
373.12811	2.7
373.27490	3.1
373.35089	1.4
374.36234	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	373.274
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03952	0.8
54.97750	0.7
55.05511	17.9
56.96560	1.3
57.07079	4.3
57.26320	0.7
60.76498	0.9
65.03931	1.7
67.05508	20.6
69.07069	17.8
69.76905	0.8
69.83609	2.8
70.06591	4.6
71.08620	2.5
79.05492	8.3
81.07060	23.8
83.08624	9.3
87.04480	1.0
88.07632	6.9
91.05480	4.3
93.07018	5.5
95.04968	1.1
95.08607	21.9
96.08970	0.9
97.10172	6.2
98.23364	1.6
102.09184	3.4
105.04618	0.8
105.07053	2.8
107.04967	4.1
107.08614	2.3
109.06526	3.1
109.10169	10.7
111.11729	1.9
115.05478	1.8
115.19629	0.8
117.07059	1.0
119.08593	2.7
121.06515	2.3
121.10129	2.1
123.04442	1.8
123.11731	3.9
125.05979	1.6
131.08537	1.6
132.10275	0.9
133.10164	2.0
135.08073	1.9
135.11681	1.6
137.05980	100.0
137.13251	3.5
138.06325	3.4
139.07529	3.1
143.08524	1.0
144.05727	0.9
145.06511	1.2
149.05992	1.7
149.09636	1.1
149.13324	0.8
151.07539	15.9
151.14893	2.6
157.06445	1.0
160.05240	2.9
161.05988	2.9
162.06772	2.3
163.07549	23.4
164.07953	1.0
165.09119	1.7
174.06827	3.0
175.07539	28.5
176.08209	0.9
177.09097	16.6
177.16420	0.9
179.10759	3.6
187.07547	10.5
188.08319	2.9
189.09116	22.4
190.09474	1.1
191.10725	3.2
193.08640	2.7
200.08434	1.0
201.09090	7.1
202.09737	1.1
203.10670	13.4
205.12267	6.5
207.13786	1.2
214.01462	1.0
214.09944	1.4
215.02092	1.2
215.10667	8.7
216.11423	3.1
217.12227	10.3
217.19600	3.9
219.13832	2.5
229.12279	10.4
230.12793	0.9
231.13841	5.7
243.13802	2.2
245.15407	2.3
259.17078	2.7
271.16956	0.9
273.18524	2.4
285.18515	1.8
299.19937	1.4
303.23477	1.2
312.32590	11.3
313.21387	1.5
327.14722	2.0
333.17679	1.0
343.08240	2.4
345.15976	6.1
350.16742	2.2
351.18561	3.1
355.26306	59.8
356.26700	6.9
368.17346	1.9
373.12592	3.0
373.19885	50.5
373.27057	11.7
373.31061	1.9
373.35239	2.4
374.20267	4.9
374.31516	1.2
374.36340	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	373.274
Annotation	Nabilone
Peak:m/z	Relative Intensity
53.03940	0.8
55.01873	1.0
55.05509	7.5
55.14909	0.3
56.05025	1.0
56.05839	0.4
57.03441	2.3
57.07075	5.2
59.04985	0.5
65.03924	0.7
67.05502	13.2
68.05855	0.3
69.03426	0.9
69.07069	6.7
69.54546	1.6
70.06586	0.7
71.04996	1.3
71.08630	31.2
72.08949	0.8
73.06525	0.5
74.06071	1.0
79.05491	8.3
81.03407	0.9
81.06562	0.6
81.07055	12.1
82.07339	0.3
83.01334	2.7
83.04973	4.6
83.08619	3.5
85.06549	0.5
86.09708	1.1
87.77931	0.4
88.07623	4.8
91.05483	5.2
93.07047	6.5
94.07375	0.3
95.04986	1.8
95.08601	6.8
97.06528	2.8
97.10181	2.0
99.08092	37.9
100.08444	0.9
102.09169	0.5
105.04548	0.5
105.07027	2.0
107.04981	0.9
107.08584	3.3
109.06520	4.4
109.10167	4.2
111.08064	0.4
111.11718	0.4
117.07006	0.7
118.08640	0.4
119.08615	0.8
121.06525	1.7
121.10147	1.7
122.08103	0.4
123.04408	2.4
123.11701	1.2
125.03373	0.3
125.05986	1.8
125.09589	0.4
127.11182	1.8
131.08553	0.9
131.52187	0.4
133.06471	0.4
133.10083	0.7
135.04408	1.4
135.08081	1.7
135.11659	2.0
137.05974	100.0
137.13226	0.8
138.06299	2.9
141.12761	0.6
145.06499	0.8
149.06038	1.8
149.09624	2.3
149.13232	0.9
151.07536	3.4
151.11192	2.5
152.11563	0.4
153.05496	0.4
153.12740	3.3
159.08070	0.8
161.13268	0.6
162.06754	1.0
163.07544	25.4
163.14799	0.5
164.07883	1.1
165.09077	0.6
165.12756	0.8
167.14349	0.4
172.69806	0.3
175.07541	0.9
177.09105	44.9
178.09424	1.5
179.10674	1.4
186.11688	0.3
189.09082	1.0
191.10651	8.0
193.12227	0.6
203.10638	1.3
205.12231	4.9
207.13809	2.5
215.10745	0.4
217.12271	1.8
219.13670	0.4
229.12305	0.5
231.21054	0.5
233.15393	0.7
243.13774	0.6
245.22649	0.6
247.16986	0.7
253.25203	0.5
259.16925	3.1
261.18552	0.5
263.16537	0.7
273.18439	0.5
275.20062	6.3
299.25641	0.9
303.23157	2.3
312.32547	1.9
326.34171	2.2
343.08066	1.2
355.26297	1.6
355.28281	2.1
356.27139	0.3
358.10294	0.4
373.12543	1.5
373.19672	1.6
373.27304	40.9
373.30969	2.4
374.27527	4.1
374.36218	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	373.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01862	2.3
55.05512	6.3
57.07072	5.0
65.03931	1.1
67.05161	1.2
67.05505	19.7
69.03427	1.2
69.07067	6.6
70.06594	3.9
70.51312	1.8
71.04975	0.9
71.08646	4.5
74.06080	0.9
76.95635	0.7
79.05493	8.2
79.61601	0.7
81.03409	2.7
81.07055	13.9
83.01314	1.2
83.04979	3.8
83.08628	3.4
85.06544	1.7
85.10175	3.3
88.07626	9.1
89.07946	1.4
91.05491	5.8
93.07063	5.9
95.04964	2.4
95.08602	8.1
97.06569	1.5
97.10164	2.2
98.22929	1.3
105.07021	2.2
106.08662	2.1
107.08575	2.7
109.06517	3.6
109.10146	7.7
111.08054	1.0
113.09617	0.8
116.20727	0.7
121.06488	1.8
121.10147	1.3
123.11695	1.9
125.05997	3.0
133.10088	1.0
135.07996	0.9
135.11674	1.7
137.05975	100.0
138.06323	3.1
147.11708	0.8
149.09630	0.9
149.13301	1.6
151.07556	3.4
155.14302	1.1
162.06738	0.9
163.07530	18.6
165.12714	1.4
175.07541	2.5
177.09102	10.1
183.34747	0.7
189.09123	2.7
191.10693	1.4
203.10649	1.2
205.12259	2.0
231.13799	11.9
245.22537	1.1
249.14861	27.8
250.15152	1.1
263.23679	1.2
277.70560	0.8
289.21664	2.7
299.25839	1.0
303.23013	1.3
308.57300	0.7
312.29526	1.4
312.32623	3.3
326.34164	0.9
343.08182	2.5
346.12961	0.7
355.28235	5.5
373.12772	4.4
373.27362	27.2
373.34583	4.5
374.27698	3.1
374.36279	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	374.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01841	0.6
56.76797	0.6
57.03431	3.3
57.03665	0.7
58.79896	0.6
65.51546	0.6
68.52702	0.6
69.03426	1.0
70.57326	0.6
71.01357	3.8
71.42545	0.7
73.02921	4.6
74.96412	0.8
78.03450	3.4
80.05022	3.4
81.03404	2.9
83.01282	0.7
85.02906	10.5
86.09634	0.6
95.01333	5.5
96.04475	2.5
97.02866	1.3
99.00810	0.6
101.02342	1.5
103.03934	2.5
106.02917	18.9
108.08143	0.9
109.02854	2.9
113.02362	4.6
124.03952	100.0
125.04277	2.5
131.03391	2.8
141.00786	1.2
141.01819	12.0
151.03873	2.4
157.68582	0.7
159.02893	1.3
165.23520	0.7
180.06548	16.2
181.06816	1.0
195.06528	1.3
195.08655	2.0
198.07613	90.9
199.07986	2.7
200.27020	0.6
212.09209	0.9
246.09518	3.6
256.07870	0.8
274.08975	1.7
295.68149	0.8
308.68933	0.7
328.10156	1.8
356.13132	7.7
374.10950	6.1
374.14337	94.6
375.10181	0.9
375.15033	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	374.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	3.1
57.29728	0.6
67.85626	0.6
69.03429	1.3
69.12141	4.1
71.01356	4.1
73.02917	4.8
78.03455	4.3
80.05013	3.3
81.03407	1.3
82.50235	0.6
85.02907	10.2
95.01313	5.1
96.04485	2.6
97.02892	1.0
99.00809	1.3
101.02369	2.2
103.03951	1.1
106.02911	21.1
109.02873	2.0
113.02348	4.3
124.03948	100.0
125.04299	3.2
125.46066	0.6
127.03904	1.0
131.03391	2.7
133.02898	0.6
141.01810	10.4
145.86485	0.7
151.03903	2.0
159.02878	2.4
159.06413	0.8
172.16357	0.6
177.05463	1.7
179.92003	0.6
180.06548	15.0
195.06479	0.9
195.08603	1.8
198.07603	82.2
199.07928	3.0
212.09053	1.3
222.50090	0.6
234.20195	0.8
246.09526	4.4
256.07834	1.2
274.08929	2.0
328.10104	1.8
356.13165	9.2
374.14285	99.8
375.14786	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
57.03438	1.7
65.03929	2.3
69.03427	18.7
70.32072	1.7
71.04983	3.4
81.03413	11.4
83.01343	1.3
85.02900	18.5
87.00827	13.4
87.04454	1.7
91.05476	100.0
92.05808	3.8
97.02258	1.7
97.02888	35.1
99.04455	9.2
105.01859	12.3
109.02870	2.7
111.00814	1.0
127.03903	37.1
128.04262	0.9
145.04944	25.7
171.02911	1.1
213.03955	1.6
231.04970	20.7
249.06044	9.8
266.08658	1.0
275.71579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05515	0.8
53.03930	1.1
54.06050	0.7
55.01862	4.0
57.03429	2.3
61.02924	2.5
65.03930	2.8
68.99783	0.9
69.03426	14.2
70.43742	1.7
71.04979	1.7
72.30405	0.8
73.02913	3.6
73.03259	0.8
75.74280	0.7
81.03419	9.8
85.02904	46.6
87.00832	18.5
91.05479	100.0
92.05833	2.0
97.02891	14.8
99.04448	6.9
103.03947	1.4
105.01152	1.3
105.01866	27.2
105.07021	1.0
108.04493	1.3
109.02885	12.3
115.03941	1.3
117.01859	1.5
120.73059	0.7
126.05481	1.1
127.03915	35.2
129.01830	1.5
129.06998	1.9
132.52080	0.8
143.08588	0.9
145.04953	18.8
145.06171	1.3
145.06473	0.9
147.02852	1.7
159.02898	6.7
171.07994	1.4
175.07542	1.2
189.03949	2.7
195.06609	0.9
199.07585	1.3
213.03947	1.8
217.08693	1.2
223.42278	0.7
231.05031	11.3
235.09515	0.8
248.07751	1.7
249.06200	2.5
250.69099	0.7
321.09692	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
61.02908	2.5
67.05495	0.9
69.03421	2.8
69.82225	1.4
69.82584	2.0
81.03421	1.2
82.47626	0.8
84.08156	0.9
85.02902	15.4
89.03907	3.1
91.05464	1.2
93.07064	1.9
97.02884	3.7
98.23376	1.0
99.04458	1.0
109.02874	1.8
117.03373	11.5
119.08587	1.2
123.04469	1.1
125.05997	0.9
127.03931	3.3
134.03677	1.2
135.04437	2.0
137.06035	1.5
145.02843	32.7
145.04865	3.8
146.03157	0.9
149.05969	7.0
153.05470	0.9
163.03961	4.6
177.05470	100.0
178.05737	4.3
180.08676	1.7
195.06529	46.9
196.06921	1.6
212.03796	1.1
374.18155	32.1
375.12268	4.1
375.16556	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.9
55.01880	8.8
57.03428	7.1
60.04518	2.5
61.02916	7.5
63.67997	1.8
67.05471	1.8
68.99790	2.1
69.03432	30.0
71.04981	6.0
73.02921	9.3
74.67528	1.6
81.03415	23.5
85.02907	100.0
86.03252	2.3
87.00825	29.8
91.03955	3.8
91.05465	5.1
93.07046	2.4
96.37381	1.8
97.02892	41.6
99.04455	14.3
99.08960	1.6
101.02330	2.1
103.03941	2.1
105.01862	35.9
106.89567	1.7
107.08559	1.7
108.04471	8.0
109.02875	32.6
109.06538	9.0
109.10135	1.8
117.01823	3.3
117.48261	1.8
119.08598	1.7
126.05495	6.2
127.03918	84.5
129.01825	6.5
129.95532	1.6
133.06470	2.6
137.05984	4.0
138.06326	1.8
145.04958	46.9
146.05304	2.1
147.02882	4.5
159.02895	27.1
175.07555	6.2
177.03864	1.9
188.57413	1.9
189.03960	7.3
198.22743	1.8
199.07356	2.6
201.87355	1.7
213.03867	2.1
217.08633	6.1
230.06477	2.5
231.05023	18.6
248.07574	4.8
249.05974	3.0
373.18201	2.6
374.18649	94.5
375.18842	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09444	0.9
53.03932	2.3
54.21820	1.0
57.03454	3.1
60.05643	2.6
61.02931	2.1
62.38005	1.1
69.03436	9.5
69.35705	4.1
70.06575	1.4
71.04985	5.2
73.02934	3.0
74.96432	0.9
75.04483	2.2
80.05002	1.4
81.03417	100.0
85.02903	17.1
86.09692	1.2
87.04469	2.7
91.95560	0.9
97.02927	3.3
98.03723	1.2
99.04475	4.9
109.02879	95.8
110.03226	2.8
113.06010	8.4
119.01951	1.0
124.03956	5.2
127.03918	11.9
132.74454	1.0
137.06026	1.2
141.05473	14.7
145.04974	3.7
149.06041	1.2
159.06531	25.8
160.11450	1.0
163.06036	4.5
177.05397	2.3
177.07591	17.1
194.08096	1.2
195.08636	94.6
196.09013	3.2
198.07672	3.5
238.39034	1.2
269.89972	1.0
364.05307	1.4
374.09888	2.5
374.14432	1.6
375.10919	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	374.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
53.40247	0.9
57.03436	2.2
58.22655	0.9
61.02924	1.4
64.31816	1.0
66.46037	0.8
69.03431	10.1
70.06599	1.7
71.04989	6.5
71.21491	1.0
71.21847	1.0
73.02929	1.2
75.04477	3.2
81.03420	93.6
81.15646	1.0
81.43559	1.0
82.03743	2.5
82.59486	0.9
84.08131	1.5
85.02907	16.3
87.04459	3.7
93.02924	1.0
95.04989	1.5
97.02896	3.5
98.03622	1.2
99.04455	7.4
109.02882	100.0
110.03208	3.0
113.06014	8.7
115.03949	1.1
127.03931	10.8
130.08627	1.2
139.43292	1.0
141.05470	14.2
145.04979	3.8
159.06529	28.9
163.05969	2.4
177.07591	17.6
195.08640	89.2
196.09015	3.0
198.07539	1.5
305.37567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01871	2.1
55.05500	2.9
67.05491	3.0
69.03439	2.4
69.07066	3.1
69.63382	5.5
71.04989	2.5
79.05481	12.1
81.07051	22.2
83.04981	3.4
85.02887	1.9
85.06548	3.6
87.04473	3.7
91.05479	10.5
93.07037	30.9
93.38811	1.8
95.04955	7.4
95.08583	4.1
97.06531	6.0
99.04461	9.4
101.02480	1.8
103.34725	1.6
105.04559	1.9
105.07034	17.8
106.06540	7.5
107.04963	4.1
107.08601	12.7
109.06518	15.9
119.08562	9.9
121.06500	29.5
121.08857	2.6
121.10133	2.0
123.04411	2.1
123.46436	1.5
125.05965	3.4
127.03938	1.8
127.07537	7.9
129.06969	3.1
131.08588	4.7
133.06488	3.4
133.10136	7.7
135.04387	7.6
135.08041	10.4
135.11656	2.1
137.05978	3.6
139.07507	3.3
141.07030	2.7
142.07800	3.6
143.08546	9.9
145.06662	1.6
145.10100	6.1
147.08063	4.5
147.11681	18.9
151.07497	1.8
156.09297	3.2
157.10130	18.2
161.13248	4.6
171.11676	23.3
173.09615	6.4
175.11153	20.2
181.10054	2.1
189.12741	18.3
193.12300	2.3
199.11147	17.8
207.13794	17.9
216.09958	2.1
217.12233	50.6
218.12570	3.8
229.01944	1.7
235.13275	100.0
236.13666	6.9
253.14359	18.5
288.19608	10.7
374.16028	2.0
374.23203	38.8
374.27646	2.9
375.23334	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08121	10.0
53.45287	9.6
55.05511	40.8
67.05511	83.1
69.07037	25.2
71.05001	100.0
71.42953	12.7
79.05496	61.6
81.07059	66.2
83.08627	25.5
85.06548	13.6
91.05485	41.6
93.07065	66.7
95.08604	33.8
97.06548	18.2
97.10181	39.6
105.07029	31.6
107.08601	95.3
109.10153	45.9
119.08594	12.1
121.10120	22.7
125.09596	22.5
131.08604	24.1
133.10124	25.9
135.11707	22.7
137.70576	10.0
145.10124	20.3
147.11652	21.9
149.13243	19.0
159.11758	22.9
173.11763	66.7
173.13081	12.6
177.12749	45.6
187.13330	82.7
202.34322	12.6
203.12767	27.0
209.15263	20.6
241.18051	74.8
272.79956	10.6
275.20029	62.5
289.21509	23.2
307.22662	15.4
345.47778	13.7
374.12927	19.0
374.26779	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.2
55.05504	22.3
56.88047	5.4
57.07086	6.0
67.05502	53.7
69.07071	23.8
69.40533	14.4
69.40934	13.4
71.04992	100.0
79.05494	38.9
81.07049	76.4
81.83161	5.2
83.08644	13.3
85.06557	8.3
91.05464	30.6
93.07038	45.3
95.04955	10.4
95.08615	39.7
97.06541	23.2
97.10174	17.6
98.23383	8.0
105.07055	22.1
107.08590	49.6
109.10166	28.2
111.08070	9.1
117.07017	8.2
119.08601	17.6
121.06518	6.0
121.10142	10.9
125.09644	21.8
131.08578	17.5
133.10143	20.8
135.11688	34.9
145.10144	10.0
149.09601	12.0
149.13298	19.8
153.09129	10.3
155.10623	6.9
159.11688	33.7
161.13223	5.3
173.11765	27.6
173.13162	11.4
177.12735	36.7
187.13318	40.1
203.12778	33.4
209.15399	22.5
239.18001	6.3
241.17963	94.1
257.19009	10.5
275.20071	42.7
289.21652	19.1
310.30829	5.5
321.24203	17.0
334.88022	6.7
374.26764	37.2
374.32227	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	374.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05256	0.9
55.05511	14.1
57.07077	2.9
60.72792	0.6
67.05494	3.7
69.06715	0.8
69.07069	13.1
69.54915	1.2
69.55318	1.7
70.06591	36.1
71.76434	0.6
81.07046	3.2
83.01335	4.1
83.08609	5.5
87.90063	0.5
91.05495	1.0
92.77533	0.5
93.07018	1.4
95.08613	3.0
97.10152	2.5
98.23465	1.3
105.07019	1.5
107.08588	1.3
109.06463	0.6
109.10123	1.2
111.11736	0.7
117.07005	1.4
117.94419	0.6
119.08553	1.3
121.06496	4.5
121.10059	0.8
123.08070	0.7
123.11678	0.8
131.08589	2.0
135.08034	3.3
137.05977	8.3
141.07030	0.6
143.08531	0.7
145.06474	1.2
145.10114	1.8
147.05811	0.5
147.08083	1.0
148.05133	0.6
149.06004	2.3
149.09579	4.5
151.07530	9.9
159.08018	3.0
161.05963	3.0
161.09595	2.5
162.06709	1.8
163.07541	20.2
163.08897	1.2
163.11154	2.1
164.07849	1.0
165.09076	3.0
167.78592	0.6
171.08081	3.1
173.09607	5.5
174.06680	0.8
175.07576	5.3
175.09850	1.2
175.11263	0.8
176.08336	4.1
177.09106	38.1
178.09399	1.0
179.10626	0.8
188.65826	0.6
189.09093	13.2
190.09485	1.0
191.10660	31.1
192.11115	1.2
203.10690	1.6
205.12227	1.6
213.12630	0.7
217.12263	1.7
231.13744	1.8
339.26755	0.9
356.29691	2.7
357.27853	17.7
358.28140	1.9
374.30515	100.0
375.30801	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	375.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01865	0.8
57.03434	0.5
59.27112	0.3
60.97430	0.2
61.02923	0.5
61.29351	0.2
64.47306	0.2
68.99773	0.4
69.03429	2.2
71.04965	0.4
71.41704	0.3
72.08172	0.3
73.02911	0.8
79.05494	0.4
81.03424	3.8
81.07063	0.5
85.02908	4.8
85.16303	0.2
86.09717	1.7
87.00830	1.5
91.66916	0.3
94.19324	0.2
97.02882	1.7
97.06502	0.3
99.04436	0.8
105.01883	1.3
107.04955	0.4
109.02885	2.6
109.06506	0.8
123.04438	2.3
127.03917	100.0
127.07561	0.9
127.22858	0.3
128.04243	2.7
132.08774	0.3
137.05988	1.9
140.04639	0.5
145.04947	1.4
147.04424	1.0
151.07576	2.5
155.06978	0.4
159.02846	1.8
161.05960	1.1
167.03366	0.5
167.07030	0.4
179.07039	11.2
181.05005	0.4
195.06546	0.4
197.08098	5.2
199.18066	0.4
200.13921	0.2
207.29485	0.2
211.18912	0.2
213.07593	1.4
213.11111	0.3
222.92273	0.3
231.05040	0.4
271.11542	0.4
291.00681	0.3
331.13651	0.4
357.10730	0.6
375.12112	1.9
375.16779	1.7
376.09915	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	375.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92218	0.7
74.22284	0.4
78.62901	0.5
85.02928	0.6
110.17524	0.4
137.05963	2.4
173.14536	0.5
179.07027	1.2
185.04161	2.1
213.07330	100.0
214.07692	3.4
244.06793	0.5
375.12579	41.2
376.13165	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	375.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34696	0.3
57.03447	0.4
65.15089	0.4
68.26537	0.3
69.03428	0.8
70.42529	0.5
85.02895	1.6
86.09717	0.5
97.02891	0.4
105.07030	0.5
119.04923	0.4
121.06368	0.4
127.03931	0.5
137.05962	4.7
139.03917	1.2
147.04344	0.5
149.05981	0.8
149.09630	0.4
151.03906	0.8
158.49142	0.5
163.03864	0.6
163.07487	0.7
173.35086	0.5
179.07076	1.7
185.04173	1.7
190.08646	0.5
191.07002	2.5
197.08044	0.4
203.01741	0.4
203.06917	0.4
208.09686	3.0
213.07326	100.0
214.07632	4.2
231.20755	0.3
251.79387	0.4
259.95813	0.4
289.12500	0.6
314.70206	0.3
331.13489	1.2
335.52527	0.4
375.12537	43.0
375.19791	1.5
376.13321	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1262
Annotation	Dercitamide
Peak:m/z	Relative Intensity
59.82151	0.7
66.13004	0.7
68.50322	0.8
69.03448	1.2
70.06583	1.7
79.05464	0.8
79.53051	0.7
81.03378	0.8
84.08126	1.0
85.02890	1.3
86.09704	1.2
104.36862	0.8
127.03918	2.5
137.05974	5.6
150.43330	0.8
151.07491	2.3
153.01877	0.8
161.05975	1.1
167.06822	5.3
179.07027	1.5
185.04263	2.1
197.08221	0.9
203.05360	4.0
203.07007	1.2
208.09669	0.9
213.07349	35.9
220.23309	0.7
229.03894	2.0
231.05180	0.9
237.04343	1.3
247.04990	1.3
255.05400	2.8
301.05936	3.8
331.13654	3.3
357.10248	1.0
375.12543	100.0
375.16321	9.1
376.09595	2.7
376.13892	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	375.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16619	7.1
57.03436	15.5
69.31110	16.1
69.31519	25.4
71.04989	100.0
74.26964	6.7
81.07050	13.0
85.02905	80.1
91.05482	62.9
92.82259	9.9
93.07041	6.3
129.05490	24.5
147.06534	7.2
147.96709	7.4
148.02330	6.8
231.55542	7.0
257.89044	7.0
265.28992	7.1
280.51810	7.0
313.65414	7.6
375.21622	11.9
376.24915	11.1
379.34125	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	375.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01878	6.1
55.05505	6.7
65.03922	1.7
67.05501	16.0
69.03422	3.1
69.07066	9.0
69.49097	4.5
69.49437	1.6
71.04979	7.2
77.03914	2.4
79.05484	26.6
81.07053	42.0
82.07379	1.8
83.04533	1.5
83.04987	15.5
83.08612	4.5
85.06532	4.9
91.05460	19.3
93.07037	60.6
94.07387	2.1
95.04961	14.7
95.08016	2.4
95.08603	31.8
95.09209	1.9
96.32141	1.6
97.06522	18.4
99.04447	16.3
101.06020	2.3
105.04535	1.9
105.06342	2.6
105.07026	37.4
107.04949	7.0
107.08579	33.3
109.06514	30.4
109.10130	4.6
110.06841	1.9
111.04440	2.6
111.08070	12.4
113.05998	2.8
114.07046	1.3
117.07005	3.8
119.04931	2.1
119.08569	25.5
120.08909	1.7
121.06499	70.9
121.10132	4.9
122.06824	3.7
123.04421	3.8
123.08056	5.7
123.11758	2.3
125.06000	10.3
127.07555	8.8
128.06293	2.2
129.06993	6.5
131.08578	7.8
133.06458	4.1
133.10117	17.1
134.10461	1.3
135.04408	7.9
135.08058	19.1
137.05992	6.2
139.07524	11.1
141.06946	2.1
142.07791	4.8
143.07031	6.2
143.08556	13.2
145.06491	1.6
145.10110	12.5
147.08055	6.3
147.11674	47.7
148.11978	1.9
149.13237	2.1
151.07487	3.0
151.11214	1.5
153.05470	1.6
153.09145	3.0
155.08531	1.4
156.09335	4.5
157.08759	2.4
157.10115	17.4
159.06500	5.9
159.07896	1.5
161.05946	2.1
161.09615	2.8
161.13237	12.9
163.14815	1.6
165.12761	7.6
166.07767	2.7
171.10297	2.5
171.11653	19.2
173.09607	5.5
173.13263	3.5
175.07661	1.2
175.11180	29.2
175.61366	1.2
176.11475	2.5
181.10098	3.6
184.08766	2.7
186.04022	1.3
189.09154	1.6
189.12708	31.2
193.12230	20.8
194.12724	1.6
199.11160	28.6
207.13783	20.9
211.13283	7.5
217.12225	90.9
218.12556	5.9
229.14160	1.5
235.13274	100.0
236.13647	8.7
238.76006	1.5
253.14326	48.3
254.14609	2.6
254.32501	1.3
361.24286	1.4
361.89990	1.5
393.44611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03927	2.7
54.31778	1.2
55.01866	4.2
55.05507	20.3
57.03427	6.7
57.07062	4.3
59.04980	1.6
61.02925	11.8
67.05505	8.3
69.03068	2.1
69.03428	28.8
69.06713	2.1
69.07067	39.8
69.26825	3.0
69.27225	7.2
71.04972	9.4
73.02900	5.5
79.05480	6.0
81.02988	1.8
81.03411	12.0
81.07054	27.9
83.04974	10.3
83.08620	9.8
85.02902	74.9
85.06544	26.4
87.04458	6.7
91.03915	1.8
91.05494	6.4
93.07043	16.4
95.04966	1.7
95.08602	34.8
97.02888	23.0
97.06529	3.3
97.10163	7.6
99.04452	5.9
99.08093	24.0
105.07027	3.4
107.08597	25.2
109.02862	8.6
109.10135	15.6
111.08064	4.8
111.11723	7.5
113.09645	9.8
119.08553	3.8
121.10142	31.5
123.04429	2.1
123.11683	8.3
125.09624	7.7
127.03909	18.0
127.11143	1.6
131.08577	2.0
133.10089	1.7
135.11682	18.6
137.06004	2.2
137.13251	25.5
139.11171	8.8
142.47115	1.7
145.04959	14.2
147.11667	1.6
149.13260	6.8
151.14819	5.3
153.12726	12.4
161.13188	2.1
177.16385	100.0
178.16719	4.9
195.17444	49.1
196.17796	2.6
213.05621	1.5
213.18484	63.2
214.18834	2.8
240.19133	2.0
248.22049	1.8
305.18539	1.8
327.12057	2.1
375.14822	2.5
375.20181	7.7
375.23990	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	375.2532
Annotation	Androst-4-ene-3alpha,17beta-diol diacetate
Peak:m/z	Relative Intensity
53.03938	0.5
55.01873	0.6
55.05512	4.0
57.07072	2.1
62.92572	0.3
63.70548	0.4
65.03922	0.4
67.05508	4.3
68.99785	0.7
69.07068	6.9
71.08627	1.7
71.44418	0.4
79.05491	1.9
81.07063	4.7
83.08624	3.5
85.10242	0.4
90.01810	0.7
91.05471	0.8
93.07046	1.2
95.04967	1.7
95.08598	2.7
97.10169	2.9
105.07064	1.1
107.04961	0.8
107.08590	0.7
109.10146	1.5
111.04449	0.5
111.11721	1.3
115.05435	0.4
121.06493	0.6
121.10158	0.8
123.04432	100.0
123.11639	0.5
124.04778	2.0
125.05983	1.8
125.13240	0.5
133.06502	0.7
135.11723	0.5
137.05975	2.4
138.06277	0.4
143.14334	0.7
147.04419	1.1
148.05234	0.4
149.05989	8.6
150.06445	0.4
151.07576	0.5
153.05469	1.1
160.05194	0.5
161.05995	12.8
162.06432	0.4
163.07530	2.6
164.07095	0.8
165.05473	13.8
165.41241	0.4
167.66837	0.4
168.38338	0.3
175.07542	5.5
177.09093	1.1
179.07037	3.3
189.09106	14.0
189.10851	0.8
190.09494	0.5
191.07066	0.5
191.10637	6.7
191.17958	1.4
203.10670	9.8
204.10956	0.5
205.12206	1.9
207.10280	0.4
217.12228	3.8
219.13850	0.6
231.10184	1.1
231.13802	1.1
233.15511	0.6
245.11757	0.5
245.15457	0.6
247.17004	0.5
259.16766	0.5
315.23190	27.8
316.23529	3.0
333.24197	8.5
333.27728	0.7
334.24634	0.8
357.24368	0.9
375.25262	1.4
375.29794	1.1
375.36603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2532
Annotation	Androst-4-ene-3alpha,17beta-diol diacetate
Peak:m/z	Relative Intensity
50.86873	1.6
55.05510	6.9
56.05018	1.4
57.07077	4.4
58.06596	1.5
62.55016	1.5
67.05498	12.2
69.07066	6.0
70.06577	3.8
71.08612	3.2
74.06077	3.3
79.05492	6.3
81.07053	13.0
83.08621	2.6
83.91235	1.5
85.05301	1.5
88.07641	10.3
88.11299	2.5
89.07926	2.0
91.05486	3.2
93.07047	2.2
95.04951	1.6
95.08605	12.1
97.10166	2.4
102.09171	4.0
105.07015	2.7
107.04948	10.2
107.08566	2.8
109.06528	2.8
109.10165	5.2
115.05459	1.9
117.06957	1.6
119.08557	2.0
121.06509	4.2
121.10145	1.9
123.04438	2.4
123.11728	2.2
124.05216	7.6
131.08534	1.7
133.06514	10.3
136.23024	1.7
137.05981	8.8
139.07536	45.3
145.06465	4.2
147.08041	7.3
151.07526	3.0
155.07004	1.7
159.08070	3.9
160.05177	5.8
161.05954	17.8
161.09665	2.0
163.07550	6.1
167.07037	100.0
168.07372	3.3
169.10197	2.1
173.05965	19.4
174.06732	2.9
175.07549	32.2
177.05444	1.4
177.09137	3.0
179.07051	2.3
181.08623	1.9
187.07646	7.7
189.09119	6.6
191.07010	10.2
192.07825	3.7
193.08595	45.6
203.10703	2.8
204.07808	2.4
205.08643	9.0
206.09396	2.2
207.10162	65.0
208.10547	2.6
209.08047	13.4
215.10796	2.1
217.12321	1.6
219.10146	17.2
220.10507	2.9
221.11635	7.7
231.13756	1.5
233.11662	10.6
235.09636	10.7
237.14954	2.0
238.10246	1.5
247.13268	3.7
249.11206	43.0
250.11601	2.5
263.12787	2.2
279.15845	2.0
279.46704	1.5
299.20071	8.0
301.21744	3.3
312.32758	3.0
313.32904	6.8
315.23181	2.1
318.21924	3.5
331.22653	13.6
333.24115	12.5
345.34424	2.1
353.19797	2.1
357.24194	13.7
374.36197	6.2
375.25339	21.8
375.36575	33.8
376.25836	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	375.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.9
55.05513	4.8
57.03435	5.0
57.07072	22.1
67.05503	9.7
68.99779	10.4
69.06752	1.4
69.07052	7.1
69.48359	4.4
69.48764	3.0
70.06583	1.7
71.04994	4.7
71.08630	12.0
77.44045	1.2
79.05498	1.9
81.07061	6.3
83.04971	2.0
83.08619	2.3
85.06537	16.4
87.00834	3.3
88.07603	3.4
91.05463	1.9
95.08601	12.8
97.06539	1.9
97.10117	1.4
98.22742	2.7
99.08099	4.5
101.07060	1.4
102.09171	2.1
107.08606	2.0
109.10173	3.1
109.78112	1.4
111.00813	5.8
111.04444	2.1
112.41561	1.5
113.09634	10.0
119.04926	1.7
123.04427	96.8
124.04666	1.6
125.13312	1.4
129.01834	96.2
130.02177	2.3
130.58368	1.5
137.05978	53.8
138.06308	2.6
139.00275	5.8
147.02858	3.3
149.05966	11.0
149.26221	1.4
151.07552	2.1
157.01328	8.1
163.07538	14.8
175.07506	2.2
177.09126	4.1
185.08076	42.4
191.10672	2.1
199.09650	3.2
203.09143	6.5
235.16724	1.7
236.08463	1.7
259.15448	2.9
263.16370	13.7
313.32755	2.4
333.24185	100.0
334.24387	8.1
374.36185	5.4
375.24985	22.2
375.29129	12.3
375.36453	12.1
376.25470	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
54.80653	4.6
55.05512	18.3
67.05499	30.2
69.03400	4.7
69.07068	19.7
79.05485	39.6
81.07051	52.3
83.08645	6.1
88.07661	5.5
91.05470	59.3
93.07050	87.8
95.04972	42.9
95.08604	44.3
97.06531	12.9
104.38247	4.3
105.04530	10.9
105.07033	100.0
107.08588	49.2
109.06522	11.3
109.10160	25.0
110.32366	4.2
115.22659	4.3
117.06992	22.0
119.08579	82.9
121.06495	23.1
121.10135	78.3
123.08079	9.2
123.11703	7.8
128.06242	11.1
129.01862	5.2
129.07019	15.4
130.07811	10.0
131.08556	41.2
133.10121	42.8
135.11703	18.4
137.06001	5.1
141.06950	5.8
142.07803	23.1
143.08557	34.3
144.09305	6.9
145.10114	64.2
147.11707	18.0
154.07753	6.1
155.08554	8.6
156.09285	8.2
157.10136	35.9
159.11681	28.0
161.09689	10.5
169.10165	18.4
171.11720	16.9
173.09593	7.8
173.13196	14.1
175.11131	6.2
175.14812	11.0
179.08589	6.5
181.10158	9.5
183.11674	14.7
185.13271	7.8
187.11154	10.2
187.14824	12.5
191.06976	6.0
193.10123	8.6
194.10983	6.1
195.11812	5.8
195.13600	5.2
197.13266	10.3
201.16383	6.8
209.13301	9.2
211.14925	11.9
215.14345	4.8
221.13416	5.4
223.14746	7.5
225.16292	5.8
235.14909	5.7
248.04411	4.5
375.26691	19.7
375.36484	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.05518	19.7
57.07070	6.5
59.04993	4.9
65.03931	5.4
67.05501	33.7
69.07081	18.7
71.46100	4.3
79.05489	45.0
81.07061	55.3
83.08620	5.2
88.07631	7.1
90.51604	3.6
91.05480	50.3
93.06445	6.0
93.07039	94.2
95.04961	40.9
95.08598	51.6
97.06515	11.3
103.05444	5.4
105.04510	8.0
105.07031	100.0
106.07353	5.3
107.08588	53.0
109.06516	8.7
109.10178	19.9
113.11922	3.5
115.05483	4.2
117.07018	18.9
117.09172	3.7
119.08578	76.5
121.06480	14.3
121.10135	66.7
123.08070	8.0
123.11704	6.3
128.06226	10.4
129.01736	3.9
129.06990	14.0
130.07805	10.8
131.08563	52.8
133.10135	37.3
135.08115	6.8
135.11700	10.3
137.05980	29.8
141.07018	10.9
142.07777	14.9
143.08572	26.7
144.09261	10.8
145.10115	57.8
147.11665	20.8
155.08545	10.5
156.09396	9.2
157.10133	41.9
159.11690	22.9
161.09616	12.4
161.13332	5.5
167.08647	5.7
168.09358	5.4
169.10127	16.8
171.11667	11.8
173.09641	4.2
173.13235	13.1
175.11177	7.8
175.14825	5.6
179.08661	3.9
181.10106	8.5
182.11015	7.3
183.11693	13.7
185.13248	10.8
187.14850	11.7
189.86319	3.7
193.10016	6.2
195.11713	11.4
197.13292	9.0
199.14873	7.3
207.11725	6.1
208.12537	4.8
209.13280	13.7
211.14856	5.2
223.14737	6.0
235.14673	4.7
253.15973	4.8
328.05679	4.2
374.36368	4.5
375.26700	19.6
375.36298	23.3
376.26434	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	0.5
55.01864	0.9
57.03430	1.2
67.05496	0.7
68.99789	1.8
69.03414	0.8
69.20868	0.8
69.21275	1.8
70.06596	3.1
79.05490	1.2
81.03434	0.4
81.07083	2.2
83.01340	0.5
83.04940	0.4
85.02893	1.4
85.06543	0.7
86.09702	0.9
91.05476	1.8
93.03410	0.5
93.07014	0.5
95.04950	1.4
95.08591	1.1
97.02900	0.9
105.07034	1.4
107.04965	2.6
107.08588	1.3
109.02884	0.8
115.05461	1.0
117.07035	2.5
118.77708	0.4
119.04914	0.5
121.02860	1.2
121.06511	3.4
123.04372	0.5
127.03907	0.5
129.05482	1.5
133.06500	0.5
135.04453	3.1
135.08051	4.1
136.07545	2.3
137.05975	9.3
139.03903	23.1
140.04242	0.5
143.60138	0.4
145.02831	0.4
145.06517	2.8
147.04402	1.8
149.05965	2.5
151.03896	2.9
151.07530	0.9
153.05481	0.8
157.06519	0.8
159.04424	0.6
161.05974	1.3
163.03902	7.5
163.07536	12.0
165.05470	2.0
166.05838	0.4
167.07036	0.9
173.05994	7.3
175.07533	0.9
177.05396	0.7
179.03412	1.2
179.07056	6.6
179.10609	0.6
181.04982	2.5
181.06395	0.6
185.06003	1.0
188.07077	0.6
189.05400	0.5
190.08633	11.8
191.07031	56.4
192.07411	2.9
197.08134	0.8
201.12326	0.5
201.54449	0.4
203.07051	2.5
205.05008	1.2
208.09688	100.0
209.10046	3.9
214.05278	0.4
214.11130	0.6
215.06981	0.5
220.09604	1.2
220.66159	0.4
272.10309	0.8
300.15933	0.5
341.10220	4.8
342.10703	0.7
358.12854	3.6
359.11093	2.8
376.13828	39.0
377.14035	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	376.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10691	0.4
55.01876	0.8
57.03418	1.8
67.05499	0.4
68.99790	1.7
69.03408	0.7
69.47375	1.1
70.06596	3.1
71.04970	0.4
79.05477	1.2
81.07052	1.2
83.01328	1.1
85.02921	2.1
90.45261	0.4
91.05448	1.2
93.07049	0.8
95.04982	2.0
95.08591	0.6
105.06999	1.3
107.04950	1.6
107.08580	1.0
109.02862	0.5
117.07052	2.3
121.02798	0.5
121.06512	3.4
123.04426	0.7
135.04391	3.6
135.08043	3.9
136.07561	2.3
137.05977	8.7
139.03905	22.0
140.04204	0.5
145.02840	0.6
145.04941	0.5
145.06461	2.5
147.04388	0.7
148.48224	0.4
149.05971	2.4
151.03914	3.1
153.05473	0.8
157.06465	0.5
161.05949	1.6
162.09151	0.5
163.03911	8.8
163.07542	13.1
164.07892	0.7
165.05460	1.7
167.07100	1.0
173.05986	6.7
175.03871	0.4
177.05508	0.8
179.03401	1.7
179.07030	7.9
181.04945	3.1
185.06053	0.8
190.07295	0.3
190.08624	13.6
191.07031	60.8
192.07329	2.1
197.08060	0.7
203.07094	3.2
205.04878	0.9
208.09685	100.0
209.10007	4.1
214.03256	0.5
215.07001	0.7
220.09679	1.3
288.89545	0.5
315.08670	0.5
324.09555	0.4
341.10178	4.5
342.73801	0.4
358.12881	3.3
359.11102	2.5
376.13901	37.9
377.14133	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	376.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
57.03433	1.2
62.71503	0.4
68.99791	1.2
69.03428	0.8
70.06596	3.2
79.05509	1.0
81.07051	1.1
83.01331	1.5
85.02894	1.7
86.09708	0.8
87.46558	0.4
87.61678	0.4
88.21326	0.4
91.05480	1.5
93.03387	0.5
93.06978	0.7
95.04958	2.0
95.08606	1.3
97.02872	0.6
105.07000	1.4
107.04951	2.5
107.08585	1.3
115.05474	0.7
117.07022	2.4
119.04964	1.0
121.02863	0.6
121.06516	3.6
123.04436	1.9
123.08116	0.5
127.03903	1.1
135.04402	3.8
135.08075	2.8
136.07532	2.4
137.05986	7.0
139.03900	20.8
140.04184	0.7
145.06505	2.9
146.76064	0.5
147.04388	1.5
149.05959	3.1
151.03899	2.0
151.07530	1.5
151.08638	0.5
153.05434	0.9
159.04446	0.5
161.05974	2.4
163.03897	7.4
163.07544	14.1
164.07970	0.6
164.09349	1.4
165.05449	2.4
167.07048	1.1
173.05984	8.8
175.07571	1.0
177.05504	0.8
179.03391	1.1
179.07024	14.9
181.04985	2.6
190.08630	15.8
191.07034	57.6
192.07355	2.1
197.08090	4.4
203.07071	2.5
205.04974	1.1
208.09689	100.0
209.10001	3.5
214.04781	1.0
220.09724	1.2
256.05905	1.3
257.88885	0.5
341.10089	4.6
358.12714	2.9
359.11084	3.3
376.09930	67.9
376.13998	29.7
377.10138	4.6
377.14432	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	376.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
57.03426	1.8
65.03920	0.6
67.05505	1.1
68.99782	1.4
69.03423	1.3
69.31721	1.7
69.32128	0.9
69.60229	0.4
70.06588	3.3
79.05503	0.7
81.03410	1.4
81.07047	1.1
82.03754	0.7
83.01344	1.4
85.02888	1.3
86.09727	0.7
91.05467	2.0
93.07008	0.7
95.04951	2.3
95.08599	0.8
97.02861	0.5
105.03462	0.5
105.07021	1.8
105.66962	0.5
107.04933	1.9
107.08578	1.4
115.05429	1.0
117.07015	2.8
119.03441	0.5
119.04922	1.3
121.02907	0.7
121.06519	3.6
123.04424	32.9
132.06511	0.6
133.06480	0.6
135.04399	3.9
135.08032	3.0
136.07578	2.7
137.05975	5.5
139.03893	17.4
143.03123	0.8
145.06516	2.4
147.04387	3.1
148.05116	0.6
149.05966	2.1
151.03905	2.8
151.07526	4.8
161.05991	1.9
163.03886	6.3
163.07532	15.2
164.04637	0.5
164.07948	1.0
165.05467	5.8
167.07022	1.0
173.05981	7.3
175.07585	0.6
176.04721	0.5
177.05473	0.9
179.03410	1.0
179.07019	20.1
180.07384	0.6
181.04939	1.6
182.44925	0.6
185.05968	0.7
188.07063	0.9
190.08618	13.5
190.10339	0.8
191.07019	57.5
192.07375	2.3
197.08076	38.9
197.93106	0.4
198.08453	1.7
203.07042	2.2
208.09674	100.0
209.10069	4.4
213.07462	0.8
214.05060	1.2
221.07896	0.5
256.05911	0.7
341.10242	3.2
358.12924	2.9
359.10986	2.3
376.09872	34.7
376.13934	26.5
377.09805	2.8
377.14139	2.0
381.48795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03592	0.5
55.01868	1.1
61.02933	0.8
69.01555	0.6
69.03423	1.5
70.06603	0.7
70.14787	1.7
74.82867	0.5
81.03379	0.8
85.02908	3.9
85.85522	0.6
97.02891	1.2
101.76418	0.6
103.03930	0.9
123.04382	1.0
123.08072	1.5
127.03919	0.7
133.06519	1.1
137.05969	65.6
138.06329	2.0
139.03871	1.7
146.25320	0.6
151.07533	32.3
152.07907	1.2
158.61505	0.5
161.05997	7.5
175.07536	2.2
179.07019	100.0
180.07381	4.0
189.08989	0.7
190.08723	0.6
191.07025	3.0
197.08076	69.2
198.08405	3.4
199.07520	0.8
203.07014	4.8
208.09676	5.9
215.06999	1.6
217.08513	2.2
221.08078	2.6
225.34059	0.6
233.08073	1.7
245.08189	3.1
255.91748	0.7
259.09845	0.6
263.09091	5.5
287.09091	2.4
305.10123	0.9
376.14014	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
56.86656	0.3
61.02943	0.4
67.05509	0.3
69.03431	0.8
69.42394	0.8
79.05493	0.3
81.03425	0.3
81.07047	0.4
85.02906	4.2
91.05476	1.1
93.07044	0.5
95.08646	0.2
97.02863	1.7
99.04411	0.3
102.58198	0.2
105.07032	0.3
107.08523	0.3
109.02790	0.3
121.06506	0.7
123.72113	0.3
127.03896	0.7
136.05177	0.9
137.05957	0.5
145.04979	0.8
151.07535	100.0
152.07895	4.4
159.38664	0.3
175.07437	0.3
177.09122	0.4
179.07068	0.4
180.08748	0.4
197.08080	67.4
198.08427	3.3
315.27563	0.3
376.14285	0.4
376.18967	1.9
377.11499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
61.02967	0.7
61.20848	0.5
69.03427	0.9
69.12173	3.4
85.02899	3.2
95.08627	0.6
97.02882	1.3
98.22655	0.8
105.07082	0.9
109.02906	0.6
109.06500	0.6
123.08075	1.5
133.06512	0.9
137.05977	72.2
138.06284	1.5
145.04919	0.7
151.07539	31.2
152.07928	1.2
179.07031	100.0
180.07329	5.8
180.08669	0.7
197.08090	70.8
198.08379	3.0
269.47641	0.6
271.08130	0.5
280.94617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
60.40481	0.3
61.02925	0.6
69.03415	1.1
70.20181	0.4
70.98449	0.3
71.61002	0.3
72.38395	0.4
79.05548	0.4
81.03393	0.4
85.02911	4.0
91.05463	0.8
93.96209	0.3
97.02906	0.9
98.56943	0.3
99.04453	0.4
105.07014	1.3
109.06526	0.5
115.05434	1.3
123.04428	27.0
124.04762	0.7
127.03909	0.6
133.06496	2.1
137.05959	3.5
143.03189	0.4
145.04938	1.1
150.03690	0.4
151.07535	7.4
161.05989	8.8
163.07521	0.4
177.09015	0.4
179.07027	100.0
180.07365	4.3
180.08817	0.6
191.07076	0.4
197.08087	37.0
198.08411	1.5
203.07042	0.7
208.09764	0.4
214.04999	0.6
245.08153	0.5
263.09329	0.4
265.96838	0.4
287.09027	0.4
303.98239	0.4
376.10004	17.3
377.10464	2.1
384.73080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01867	0.9
57.03430	1.4
58.88314	0.6
61.02918	3.8
63.67601	0.5
69.03432	5.2
73.02908	1.4
81.03412	2.4
85.02904	22.3
87.04449	0.7
91.03953	1.6
91.05495	0.8
97.02901	5.9
99.04410	0.8
109.02856	1.4
116.84166	0.6
122.03663	0.6
123.49532	0.5
127.03918	4.4
135.08044	0.6
137.05972	100.0
138.06323	3.3
139.03897	1.4
145.04965	6.1
145.75285	0.5
151.07529	1.1
163.03943	0.8
163.07538	1.3
165.05504	0.7
173.06085	0.6
179.07025	36.3
180.05930	0.5
180.07329	1.4
180.08688	3.0
180.09990	0.5
190.08611	0.7
191.06996	4.1
197.08073	7.5
203.07001	0.5
203.32309	0.5
208.09666	6.7
213.07393	0.8
214.07706	0.8
376.13458	3.0
377.08481	0.7
377.13715	0.7
377.17963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.4
57.03434	0.9
61.02916	1.2
69.03413	1.4
69.40520	3.2
70.06606	0.8
74.65948	0.6
77.62374	0.7
79.05505	0.7
80.23458	0.6
85.02888	4.5
91.05432	1.0
97.02917	1.2
98.97611	1.8
105.07030	0.7
111.09209	0.8
116.98579	0.9
121.06513	7.5
123.04428	1.4
123.08063	1.7
127.03871	1.2
128.98611	1.0
137.05972	68.2
138.06279	2.1
138.09134	2.4
139.03859	1.0
145.04951	1.0
151.06343	1.5
151.07550	28.9
152.07898	1.4
161.05977	9.4
163.07578	1.0
175.06143	0.8
175.07556	3.3
175.11867	2.4
179.07027	100.0
180.07350	4.5
189.05476	1.0
191.06943	1.4
196.94395	0.9
197.08087	64.5
198.08408	3.6
199.07619	0.9
203.07034	7.9
208.09644	2.2
214.95366	2.0
215.06999	2.0
217.08565	2.7
221.08200	3.5
227.06976	1.0
232.96440	2.8
233.08076	2.5
245.08139	4.1
263.09158	6.6
268.96619	0.8
274.97391	0.8
286.97644	1.6
287.09140	2.7
297.06384	0.8
305.10074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08086	0.5
55.01835	1.0
55.05470	1.7
56.04990	2.7
56.96569	16.4
57.07071	3.0
67.05461	2.6
69.07068	4.5
69.75494	1.0
69.75871	1.2
70.06548	1.4
71.08632	12.9
71.95226	1.1
72.08960	0.6
72.95989	0.7
74.97567	0.7
79.05456	1.5
81.07078	3.8
85.06471	0.7
86.06036	1.3
86.09695	6.3
88.07571	1.9
88.11271	30.8
91.05420	2.1
93.07045	3.5
95.04987	3.9
95.08611	5.2
97.06548	1.1
97.96789	3.2
98.97506	0.9
98.98454	0.6
99.08049	0.9
102.09086	1.1
105.06978	1.6
107.08603	4.4
109.06528	6.2
109.10129	1.3
110.97561	6.6
112.58908	0.5
115.97788	1.8
117.06954	0.7
119.08509	2.1
121.06464	0.8
121.10110	0.8
123.01166	0.8
128.98621	8.6
131.08534	1.6
133.10054	1.8
135.11655	0.8
137.02731	0.8
143.00137	1.3
146.99629	4.9
147.11685	0.9
149.13239	1.4
152.00238	0.6
155.03743	0.8
156.13771	1.7
158.49797	0.6
161.01199	1.5
165.00711	0.8
165.12762	23.2
170.01144	0.6
171.03294	1.4
173.13193	1.7
184.13255	2.2
184.14908	0.6
184.16850	0.9
185.04759	0.6
189.04314	0.7
190.05121	1.3
191.14270	2.5
193.04936	2.0
196.95354	0.6
199.06239	0.8
201.12788	1.5
224.20020	2.8
235.06299	0.8
237.51772	0.6
249.07950	0.7
262.21558	1.6
263.09518	1.9
271.20520	1.9
277.11035	1.8
278.24765	8.3
289.21506	2.1
312.32452	0.8
313.33002	3.3
314.33246	0.9
317.14969	0.5
317.17853	36.6
318.18277	2.6
333.17249	2.1
335.18933	100.0
336.15524	1.0
336.19281	7.6
353.20038	19.1
354.20267	1.5
358.20523	18.5
358.31039	1.2
359.21176	1.7
375.36612	10.0
376.21133	2.8
376.25360	2.6
376.32108	22.1
376.36646	2.0
377.22806	2.4
377.32690	1.1
392.20746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03946	2.9
57.45151	0.7
67.05510	1.2
69.24080	4.2
77.03939	2.9
79.05476	1.0
86.50601	0.7
87.03911	1.0
87.04462	20.1
89.06031	49.4
91.05480	13.0
93.07047	24.9
95.04970	9.9
97.06543	1.7
101.72052	0.7
103.05468	8.4
105.04525	4.6
105.07011	1.1
106.06553	3.4
118.06535	5.3
119.04937	2.1
119.08593	1.9
121.06506	78.0
122.06850	2.9
131.07315	3.8
132.08096	2.6
133.08603	26.1
134.09727	1.2
138.20370	0.7
146.09624	3.9
147.08058	4.9
158.41656	0.8
159.10280	0.7
159.83772	0.8
160.11249	5.2
165.09117	33.8
166.09502	1.3
167.10703	0.8
172.11157	0.9
174.12773	1.3
177.11214	9.3
191.10648	0.9
204.59677	1.0
209.11729	11.5
221.14050	0.8
232.13441	0.8
237.13895	0.9
244.20599	6.2
253.14250	1.5
272.20078	39.4
273.20468	2.9
290.21161	10.7
315.18045	1.3
359.20648	19.6
360.21017	2.9
376.24808	100.0
377.25204	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	376.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.7
56.05036	10.1
56.96561	9.0
57.07069	6.5
60.40127	2.4
65.03928	2.3
67.05507	8.1
69.07064	14.9
71.08640	30.8
79.05480	4.0
81.07054	12.6
85.06528	2.3
86.09718	11.1
88.11273	100.0
91.05475	4.8
91.58336	2.4
93.07057	8.7
95.04970	10.9
95.08634	11.3
97.06524	4.6
99.08128	5.2
105.07037	4.5
107.08592	5.6
109.06513	15.9
109.10138	4.4
110.97595	2.9
119.08592	6.1
121.10147	4.7
128.98615	4.4
131.08588	5.4
133.10103	4.3
135.11653	3.0
146.99715	2.2
149.02351	5.2
149.13295	2.5
155.00992	3.3
156.13860	3.4
165.12764	58.7
166.13106	4.1
170.15427	3.2
173.13300	5.0
175.11194	2.5
179.14223	3.0
184.13371	3.9
191.14359	3.6
193.05081	5.5
201.12804	2.5
224.19981	4.0
228.04465	2.7
254.21214	5.1
256.84689	2.1
262.21719	3.2
271.20480	2.5
278.24771	21.5
289.21640	5.4
291.62070	2.7
314.33115	2.7
317.17789	19.8
335.18927	49.2
336.19269	6.1
353.19879	8.4
358.20435	10.2
358.31073	4.0
376.25116	8.7
376.32050	46.6
376.36847	10.5
377.22919	15.2
377.32501	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	377.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51489	2.4
79.05514	0.9
91.05471	1.6
96.77001	0.8
105.07037	2.8
127.00028	11.0
129.06996	1.3
132.27138	0.8
137.05945	1.1
145.10155	1.3
169.10303	0.9
197.13199	1.1
215.14316	6.4
229.12021	11.3
273.10983	24.7
274.11389	2.0
289.13998	1.6
291.12067	6.4
333.13086	15.8
359.11182	1.5
377.12051	100.0
378.12457	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	377.2088
Annotation	Remifentanil
Peak:m/z	Relative Intensity
56.34934	0.6
69.22465	3.2
98.23492	1.6
100.62518	0.7
144.70486	0.7
151.63817	0.9
188.90762	0.7
190.01967	0.8
195.75232	0.6
203.25368	0.7
204.11887	0.9
223.48453	0.7
245.08463	0.7
307.85040	0.6
377.20895	100.0
378.21423	8.9
378.26099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
64.60486	0.3
69.36674	0.4
69.74120	0.8
69.74478	0.9
73.06562	0.9
75.52840	0.4
76.94011	0.4
81.07049	0.8
98.23405	0.6
116.10572	0.4
125.05991	0.7
146.89754	0.4
149.05974	1.3
153.05449	1.5
161.83511	0.4
163.07524	1.0
177.09131	0.7
202.50571	0.4
221.99724	0.4
247.09406	0.6
298.61902	0.4
315.48145	0.5
335.22021	0.6
350.72321	0.5
359.21902	17.2
360.22321	1.3
367.62933	0.4
377.22983	100.0
378.23389	10.1
378.30008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2323
Annotation	Hypoestoxide
Peak:m/z	Relative Intensity
52.56239	1.8
55.01870	2.5
55.05516	10.8
57.03436	2.1
57.07072	23.4
65.03948	1.9
67.05496	15.4
68.99780	1.9
69.07062	11.0
69.35707	10.3
71.04985	3.4
71.08638	13.6
79.05505	6.9
79.40475	1.9
81.07042	19.7
83.04980	2.9
83.08624	5.2
84.08158	2.4
85.06560	6.0
85.10181	7.5
89.06027	21.9
91.05488	5.7
93.07039	8.8
95.04968	8.3
95.08598	14.2
97.06535	2.7
97.10175	2.6
98.23294	3.3
103.05492	3.0
105.07041	4.6
107.04969	3.6
107.08591	3.6
109.10175	5.6
111.04431	2.7
112.27689	1.8
117.07089	2.0
119.04933	4.0
119.08533	2.9
121.06541	2.7
121.10130	2.8
123.04424	24.5
123.05169	2.8
123.11738	2.4
125.06009	6.0
126.03158	6.8
131.08536	2.8
133.08604	6.5
133.10133	2.3
135.04381	3.0
135.08038	2.5
137.05992	7.7
137.09659	2.0
137.13260	2.6
139.03899	32.1
141.05464	23.6
145.06523	3.2
147.04362	2.7
149.02379	3.2
149.06003	3.6
151.11176	2.6
153.05460	19.4
153.09177	2.1
154.02609	4.8
155.03351	2.2
159.04454	2.4
161.05978	5.8
163.03906	19.2
163.07596	5.1
167.03403	13.0
167.07025	4.1
168.04115	2.6
169.04959	100.0
170.05290	3.9
175.07489	3.0
177.05479	9.8
177.09126	5.5
177.11308	2.0
179.07034	5.7
185.09734	2.2
189.05362	2.1
189.16518	2.2
191.07014	5.7
191.10777	2.9
193.08604	11.4
195.06490	5.6
195.12332	10.5
203.10657	2.9
205.08641	3.4
207.10249	2.3
209.08157	2.7
219.10147	3.7
221.11752	2.6
231.10121	2.6
245.11807	2.3
275.20148	5.4
282.97574	2.0
299.19968	2.2
303.19553	2.8
307.22693	35.4
308.22977	3.3
317.21060	10.3
331.22647	2.6
335.22095	10.9
341.56647	2.1
345.20609	8.2
349.23630	2.5
359.22086	7.8
377.23193	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2324
Annotation	Hypoestoxide
Peak:m/z	Relative Intensity
50.35107	2.6
51.43894	2.6
55.01906	3.3
55.05508	11.0
57.07083	19.8
58.38373	2.8
60.00841	2.6
63.79558	2.7
65.03944	3.8
67.05512	16.8
68.17484	2.6
68.62974	2.9
68.93394	2.6
69.07066	10.5
69.16797	19.3
71.04986	3.9
71.08630	12.7
79.05493	6.7
81.07055	16.5
83.08614	5.2
85.06550	7.7
85.10185	7.4
88.07637	13.8
89.06038	35.6
91.05470	4.9
93.07043	6.1
95.04967	10.5
95.08619	10.6
105.07019	6.3
107.04939	4.5
107.07050	5.1
107.08594	6.2
109.06514	3.8
109.10161	10.4
119.08585	5.2
121.10151	6.0
123.04424	19.3
126.03152	7.2
133.06522	3.5
133.08591	17.5
133.10124	3.9
137.06033	3.8
137.13275	3.3
139.03882	29.3
141.05420	22.5
149.02400	7.7
149.05963	3.8
149.13257	5.4
151.09650	3.8
151.11119	4.0
153.05472	19.3
159.04401	5.9
161.05954	3.7
163.03871	19.9
167.03419	11.4
169.04971	100.0
170.05293	3.2
173.05914	3.2
177.05516	12.8
179.07002	6.0
181.04968	3.5
191.06984	4.3
193.08624	10.1
195.06577	6.1
195.12309	18.8
205.08759	4.1
219.10115	4.4
245.11897	4.2
245.24886	3.1
275.20157	3.7
299.05890	3.3
303.19302	4.6
307.22653	33.5
317.21173	11.4
335.22137	11.3
342.03445	3.5
345.20578	10.8
359.22263	7.2
377.23209	63.2
377.32379	4.8
378.23383	7.1
378.29907	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2325
Annotation	Briarellin J
Peak:m/z	Relative Intensity
55.01876	22.8
55.05515	5.7
57.03432	2.8
57.07077	4.6
64.27307	1.0
67.05507	16.3
69.07064	8.3
69.17599	0.9
69.71513	3.1
71.04996	1.4
76.03490	0.9
79.05505	7.6
80.94872	1.7
81.07069	12.5
83.04993	3.1
83.08630	3.8
85.06559	3.5
91.05485	4.2
93.07052	4.9
95.04984	3.9
95.08611	12.0
97.06536	25.9
97.10145	1.1
103.05430	1.0
105.07035	2.9
107.04952	6.8
107.08607	4.2
109.02893	4.1
109.06528	2.6
109.10146	5.8
113.09643	3.5
117.07038	1.2
119.04941	2.0
121.06509	3.4
121.10159	1.9
123.04432	80.1
123.11707	1.5
124.04777	1.9
125.05997	10.7
125.09615	2.3
126.03149	1.3
131.04901	1.7
133.06462	1.7
133.10159	1.6
135.04445	3.0
137.05986	22.9
139.03894	2.1
141.05464	1.9
145.06509	2.1
147.04424	7.0
149.05977	20.9
149.13219	1.5
153.05473	52.8
154.05795	1.9
161.05997	5.6
163.07547	15.7
163.14810	1.1
165.05473	4.5
167.07066	1.7
171.08037	4.6
172.51950	1.0
173.05962	6.1
173.09596	2.1
175.07573	3.2
175.14879	1.4
177.09132	3.3
179.07056	8.7
181.15962	1.5
183.08051	1.9
187.07573	4.0
187.11127	2.4
189.09103	10.8
193.08493	4.6
197.09709	1.8
201.09120	3.6
203.10663	9.5
205.08662	2.0
205.12341	2.8
215.10693	9.6
229.12468	2.4
247.13263	8.4
252.74600	1.0
263.69385	0.9
265.14346	17.5
267.17416	1.7
285.18423	3.1
288.92398	1.1
299.20105	1.8
303.19525	30.3
304.19836	2.7
317.21030	3.7
335.22162	100.0
336.22568	8.5
359.21805	1.2
376.36673	1.4
377.23166	7.9
378.33667	4.8
378.37656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2325
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
50.36903	1.6
55.01870	19.7
55.05516	8.6
57.07073	2.6
63.84046	2.0
67.02690	1.6
67.05504	11.7
67.83405	2.0
69.07072	7.9
70.06593	3.9
70.17848	2.1
70.18172	3.7
71.04971	2.0
71.08627	3.7
77.23508	1.6
78.08478	1.4
79.05507	5.8
81.07061	12.9
83.08642	2.7
84.08148	13.2
91.05499	3.7
93.07053	5.1
95.04948	3.7
95.08598	6.0
97.06530	23.8
97.07111	2.1
98.22836	4.0
98.23383	2.7
105.07036	3.8
107.04959	2.0
109.06531	5.5
109.10174	4.7
119.08572	2.7
121.06509	3.0
123.04433	19.9
123.43707	1.7
125.06032	10.0
133.06544	1.8
137.05981	48.3
138.06340	1.7
144.48759	1.8
145.06477	2.5
149.05998	7.7
151.07549	3.4
153.05464	23.1
155.03381	3.9
161.05989	4.4
163.07515	13.6
167.07053	4.4
171.08113	2.8
173.05908	2.4
175.07590	6.0
177.05423	2.7
177.09129	6.4
178.42325	1.7
179.07051	5.3
187.07561	2.7
189.09114	4.9
191.07181	2.6
191.10722	4.3
193.08617	6.3
203.10683	5.8
215.10649	2.5
220.09616	2.5
229.12277	2.6
258.09210	1.7
264.87595	1.6
265.14355	8.6
303.19540	12.0
317.21143	4.5
317.24634	3.7
332.26062	2.4
333.24332	6.1
335.22098	44.6
336.22543	3.1
359.22153	100.0
360.21912	5.4
360.26129	10.1
377.22580	4.2
377.26825	5.1
378.26389	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
55.05510	4.8
57.07072	5.2
65.03939	1.5
67.05495	13.0
69.07067	4.6
69.47553	5.7
70.06594	4.3
75.31647	1.2
79.05495	4.8
81.07050	11.6
83.01286	1.2
83.08615	3.7
88.07635	7.2
90.51115	1.1
91.05479	3.5
93.03384	1.8
93.07030	1.8
95.04949	7.2
95.08601	10.3
97.06577	1.5
97.10154	1.8
102.09177	3.8
103.05489	3.6
105.03387	17.2
105.07052	1.9
107.04947	2.5
109.10149	4.1
115.05457	2.0
117.07030	3.1
121.10137	1.5
123.04430	16.8
123.11694	1.7
125.06030	4.2
126.03133	4.6
131.04942	10.9
133.06506	1.8
135.04424	3.2
135.08115	1.6
135.94980	1.1
137.05965	4.9
137.13264	1.2
139.03935	4.1
141.05460	13.2
141.07014	3.1
145.06496	4.4
147.04420	2.8
149.04863	1.1
149.05968	28.5
149.09634	1.4
151.03886	1.4
151.07564	1.3
153.05475	21.4
154.02606	3.4
159.04393	15.0
159.08052	1.6
161.05974	7.1
163.03922	12.6
163.07562	5.0
165.05469	2.7
167.07079	1.7
169.04955	100.0
170.05289	4.8
173.05956	4.8
173.09622	1.8
175.07547	1.4
177.05449	17.5
177.09113	2.2
177.16394	1.3
179.07025	10.2
183.06532	1.7
183.31482	1.2
187.07579	5.2
189.09122	3.1
191.07028	9.0
193.05023	4.4
193.08582	11.0
194.05777	2.5
195.06525	41.2
196.06912	1.4
201.09088	4.5
203.07100	1.8
203.10727	1.9
205.08641	10.5
209.08080	65.8
210.08458	3.0
211.05997	4.0
215.10625	3.3
217.08669	2.7
219.10135	8.5
221.11757	2.4
229.12186	1.7
233.11755	2.3
235.09616	2.0
235.13202	2.3
237.07568	8.7
238.12584	1.3
239.12744	4.9
251.09117	24.1
256.26312	17.7
257.19122	2.2
285.18536	4.5
289.21649	2.4
299.20099	4.5
303.19504	13.8
304.20062	1.5
317.21112	27.1
318.21384	2.3
335.22147	18.2
336.22467	1.6
359.22086	4.9
359.25903	3.3
377.23004	5.1
378.30048	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.06989	1.3
60.62407	1.2
61.02922	3.4
64.37847	1.2
65.03947	2.1
67.05480	1.3
69.03422	4.2
69.55135	5.6
70.13015	1.1
73.02921	1.6
74.01600	1.2
77.03941	2.1
79.64863	1.3
81.03433	2.4
85.02922	18.2
91.03912	1.5
95.04973	19.8
97.02885	5.2
105.04534	2.4
108.02888	1.1
109.02856	1.5
112.76488	1.1
123.04428	20.3
124.04692	1.7
125.02362	5.5
125.47782	1.1
127.03905	4.5
139.03899	2.3
140.04688	100.0
141.04982	1.4
145.04942	2.6
149.12410	1.1
153.05478	1.3
155.07036	48.2
156.07370	2.4
167.03365	1.5
173.08069	3.4
180.08656	6.0
181.04988	16.3
193.81145	1.1
199.06021	98.6
200.06396	3.7
243.38609	1.3
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
57.03432	2.3
60.10371	1.1
60.98425	1.1
61.02917	3.2
65.03935	3.0
69.03427	5.0
69.61530	5.0
71.65270	1.2
73.02900	1.3
81.03419	2.0
85.02903	21.4
88.79979	1.2
93.03414	2.3
95.04967	28.4
95.05537	2.3
97.02894	4.6
97.27009	1.2
102.92513	1.2
103.05437	1.2
109.02875	2.2
111.04474	2.3
117.91410	1.1
123.04443	15.4
125.02363	4.4
125.05963	2.0
127.03925	2.9
132.39809	1.2
134.97792	1.2
137.06038	1.7
139.03879	2.8
140.04677	72.0
141.05501	6.0
144.43716	1.2
145.04924	2.6
149.02376	1.3
153.05450	6.4
155.07018	31.3
156.07227	1.2
162.60831	1.1
168.99635	1.1
179.07057	2.5
180.08688	1.8
181.04962	22.4
181.08725	8.7
184.03305	1.2
199.06012	100.0
199.09723	3.7
200.06274	1.8
304.84634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03436	1.1
61.02918	2.6
65.03927	2.2
67.05491	0.9
69.03429	5.6
69.63997	3.0
71.04998	1.2
73.02902	1.1
79.05522	1.3
81.03415	3.1
81.07045	0.8
85.02907	19.2
91.03945	0.8
92.17415	0.7
93.03395	2.1
93.07034	0.9
95.04971	21.8
97.02908	5.8
99.04494	0.9
107.08585	2.6
109.02866	2.0
109.06504	1.2
111.04458	2.4
112.02251	0.8
116.07127	0.8
119.08600	5.0
121.06521	1.1
122.03625	0.8
123.04443	12.5
123.08048	1.7
125.02351	2.6
125.06007	2.3
127.03892	3.6
135.08081	1.1
137.02344	3.7
137.05997	5.0
137.09589	1.8
138.03090	1.0
139.03899	3.3
140.04683	63.9
141.05515	4.2
145.04970	4.9
149.02321	1.6
153.05457	8.6
155.07037	29.0
163.07498	0.9
171.06491	1.6
177.09109	0.8
178.09412	0.9
180.08669	2.7
181.04958	19.2
181.08559	6.8
199.06015	100.0
199.09608	6.5
200.06401	3.0
234.98981	2.3
289.03583	1.8
296.76883	0.8
301.07019	0.9
313.06900	0.8
379.19061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
65.03924	1.4
65.66200	1.2
69.03422	2.9
69.51722	1.5
70.57920	2.4
81.03419	2.3
85.02902	10.1
94.05044	1.2
95.04971	21.0
97.02905	2.2
110.68995	1.3
111.04433	2.4
123.04444	11.4
125.02357	4.2
125.05964	1.9
125.09634	1.4
134.30653	1.2
139.03867	3.3
140.04680	67.0
141.05473	6.4
153.05467	6.3
155.07025	29.8
175.18007	1.3
181.04953	17.7
181.08588	7.2
181.12230	3.0
199.06009	100.0
199.09734	4.1
200.06351	3.1
216.08775	2.8
224.26982	1.2
378.18085	3.9
378.24310	1.5
379.09705	5.1
379.13666	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	0.4
69.03408	0.4
78.03445	0.3
79.05492	0.3
81.03398	0.4
81.07092	0.2
83.04968	0.3
85.02912	0.8
90.04702	0.3
91.05470	1.1
93.03462	0.2
93.07060	0.3
95.04965	0.7
95.08600	0.4
97.02859	0.4
106.02930	1.2
106.04128	0.3
107.04948	0.4
108.05700	0.3
109.06508	0.6
120.05707	0.8
123.04430	0.9
123.08123	0.3
124.03951	5.1
135.11659	0.3
136.05199	0.7
137.05966	3.0
138.06758	1.9
148.05185	11.3
149.05565	0.4
151.03906	1.1
151.07568	1.3
152.07906	0.6
165.05499	0.4
166.06328	0.4
181.08588	100.0
182.08919	4.2
184.07304	0.4
185.20018	0.2
197.08067	0.5
199.08527	0.4
207.92999	0.2
250.07037	0.3
319.25726	0.2
329.61804	0.2
339.66580	0.2
360.23862	0.4
378.11838	1.8
378.24258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03946	0.7
55.01873	0.6
57.03431	1.2
61.02930	2.4
65.03937	1.1
69.03435	3.6
69.09759	1.8
69.10183	0.5
71.04984	0.4
73.02916	0.6
77.03921	0.4
77.96395	0.3
79.05483	0.4
81.03417	2.2
81.07079	0.5
85.02904	15.3
87.04442	0.4
91.03974	0.7
91.05482	0.7
93.03408	0.9
93.07050	0.5
94.04193	0.4
95.04973	9.6
97.02890	3.9
98.23446	0.6
99.04473	0.6
103.05486	0.6
109.02881	1.5
111.04449	0.7
119.04924	0.5
121.06509	0.7
122.03645	1.5
123.04441	4.5
123.90002	0.3
125.02363	1.4
125.06008	0.4
127.03915	2.0
131.04936	0.6
137.05975	100.0
138.06316	3.9
139.03885	1.7
139.07487	0.3
140.04680	27.1
141.05484	2.0
145.04947	3.0
149.02394	0.4
151.07542	1.4
153.05481	2.7
155.07024	13.4
156.07346	0.5
163.07549	2.3
166.02621	0.4
166.06337	0.4
167.07051	3.0
171.06500	0.5
175.07559	0.4
177.09233	0.3
177.49182	0.4
179.07089	0.4
180.08679	1.2
181.04994	7.9
181.08595	21.8
182.05327	0.5
182.08888	0.9
191.06981	0.3
199.06013	44.0
199.09689	3.3
200.06308	1.6
200.16304	0.3
209.08078	0.6
210.10806	0.3
223.09641	0.3
247.09819	0.3
265.10574	0.4
378.10446	0.5
379.09863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01887	0.6
57.03444	0.7
61.02935	1.0
69.03427	1.8
69.79691	1.8
73.02950	0.4
76.77867	0.5
81.03423	1.4
85.02905	10.1
91.03983	0.6
91.05483	7.7
93.03396	0.5
93.07039	8.4
95.04962	2.0
97.02898	3.0
98.23414	0.6
100.00549	0.5
100.01236	0.5
103.05461	3.9
105.04498	0.6
109.02871	0.7
111.16196	0.5
112.02194	2.4
119.04936	1.6
120.05722	0.8
121.06503	15.3
123.04417	0.8
125.05959	0.9
127.03922	1.6
130.03220	2.2
135.08076	0.9
137.05984	1.0
138.06764	1.4
145.04953	1.6
147.04440	1.0
148.05167	1.5
149.06017	5.5
151.03882	1.1
151.07506	0.7
153.05472	2.1
166.06253	8.8
167.06866	0.9
181.08595	100.0
182.08920	4.3
184.07365	1.1
188.45743	0.5
193.08719	0.7
195.10130	0.6
199.09656	75.4
200.10074	3.7
209.08180	1.0
212.36394	0.5
223.09535	0.9
244.80185	0.5
307.11804	0.9
308.63412	0.6
324.03116	0.5
372.56577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31387	0.6
53.02226	0.5
53.56342	0.6
54.62771	0.6
54.92108	0.5
56.65702	0.6
57.10814	0.5
61.02933	0.8
63.66296	0.5
69.03436	1.5
69.91984	0.9
69.92335	1.4
72.60526	0.7
85.02906	4.9
91.05437	0.6
95.04967	1.3
97.02892	2.0
98.97562	0.8
99.04423	0.9
101.61475	0.7
112.92300	0.6
116.98653	0.7
122.03642	2.8
123.04448	0.9
127.04012	1.1
131.04890	1.1
137.05971	100.0
138.06334	3.4
140.04680	5.3
151.07504	0.9
153.01773	0.9
153.05437	1.1
155.07002	2.2
163.07561	3.1
175.07544	0.8
181.05037	1.8
181.08586	14.6
199.06020	6.6
199.09573	0.7
222.99738	0.9
244.19995	0.7
260.22186	0.7
354.04202	0.8
378.14294	2.0
379.11917	3.5
379.15955	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62957	1.3
53.03946	5.7
55.01873	9.2
55.05510	20.7
57.03428	6.5
61.02941	7.1
67.05512	21.1
68.99810	3.4
69.03432	36.3
69.07065	6.4
69.70856	4.1
69.71196	1.7
71.04988	4.2
73.02917	6.6
79.05492	5.8
79.99221	1.5
81.03426	26.7
81.07074	8.3
83.05005	2.1
84.03703	1.5
85.02907	100.0
85.06539	5.7
86.03247	2.2
87.00829	37.0
87.04445	1.6
91.05478	3.8
93.07047	7.9
95.08611	59.4
97.02901	33.1
97.10178	24.1
99.04459	12.8
105.01868	45.3
105.02541	2.9
105.07027	5.3
107.08591	11.1
108.04492	3.7
108.67149	1.4
109.02877	30.0
109.06497	1.6
109.10169	1.7
115.03953	8.5
115.87588	1.5
117.01855	4.6
117.07029	1.8
119.08605	6.7
121.10120	1.6
123.08096	5.5
125.02367	1.9
125.09658	4.7
126.05495	2.1
127.03922	63.4
127.04868	3.5
129.01840	4.6
129.07039	1.6
135.08067	4.1
137.09651	2.8
142.07809	1.8
145.04971	33.3
145.10121	1.5
147.02957	3.9
147.08028	3.2
149.09598	3.2
157.10289	1.5
159.02888	17.9
161.04640	1.6
161.09633	3.5
162.13509	1.5
171.02885	1.7
173.32390	1.7
179.10760	1.9
181.12309	3.2
185.09746	1.4
189.03929	2.4
201.03835	1.9
203.10672	6.5
213.03961	2.0
221.11745	3.6
231.04993	15.6
244.00758	1.5
247.04462	2.4
249.06052	2.0
281.13718	1.9
295.05432	1.4
307.08698	1.6
307.11676	7.6
325.12616	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	378.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30006	1.6
53.03936	2.2
55.05514	4.2
57.03433	2.0
59.05009	2.3
59.39022	2.9
59.62609	2.0
61.02932	2.2
62.66948	1.7
63.04528	2.1
67.05498	5.9
69.03438	4.2
69.07069	7.9
71.04992	4.2
79.05497	6.9
79.89818	1.8
81.03419	2.9
81.07058	17.2
83.08623	3.7
85.02903	30.8
91.05482	6.5
93.07038	26.6
95.04948	5.6
95.08604	42.1
97.02887	17.2
97.06522	5.3
101.99870	2.1
105.07039	18.0
107.08610	18.1
108.52797	1.7
109.10152	11.2
111.04436	31.5
111.08111	2.9
117.07013	2.7
119.08604	6.2
121.06532	2.6
121.09266	3.4
121.10140	69.5
122.10425	2.4
123.08074	31.6
123.11672	15.4
125.05975	5.5
127.03920	3.8
135.11685	27.7
139.07510	2.4
139.11198	16.5
140.52219	2.1
141.09006	2.0
145.04912	3.1
145.10124	33.7
153.12727	19.2
163.11182	50.4
163.12445	3.6
164.11481	3.2
181.12228	100.0
182.12617	6.8
198.14871	7.0
199.13295	55.1
200.13669	2.9
217.97556	1.8
265.53976	2.0
332.75607	1.8
341.22119	2.4
343.17548	9.3
361.18231	4.2
378.21005	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	378.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17106	0.8
67.05498	2.7
69.03424	4.5
69.07056	2.3
69.17155	4.2
72.08144	1.6
73.02910	2.0
79.05483	5.5
81.07056	9.9
83.08606	1.1
85.02903	9.4
86.09713	1.9
87.04465	1.4
91.05479	2.8
93.07040	16.4
95.04954	1.4
95.08611	12.6
97.02876	2.5
97.06530	1.9
98.04446	0.6
105.07013	2.5
107.04948	1.5
107.08598	19.2
108.08925	0.9
109.02896	1.4
109.06509	0.8
109.10155	13.6
111.08076	2.2
117.06952	1.0
119.08558	1.9
121.06458	1.7
121.10152	4.3
125.05984	9.0
127.03909	1.3
135.11690	60.1
136.12000	2.0
137.05969	2.6
137.09679	0.8
137.13271	4.2
138.06354	0.8
139.07486	5.1
145.05022	1.1
145.10135	13.1
153.12741	5.9
163.07561	1.0
163.11180	31.9
181.12230	100.0
182.12572	4.8
182.54315	0.7
199.13278	3.3
201.03532	0.7
217.14343	1.9
221.04544	0.9
343.17401	3.6
361.18253	1.5
378.21603	0.7
399.63092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05503	1.0
57.03418	1.3
57.07078	3.3
59.04984	1.2
60.04528	3.2
61.02914	1.4
66.27563	0.6
67.05497	1.0
69.03423	5.9
69.07070	1.8
69.79166	0.7
69.79506	2.0
70.01831	0.5
71.04974	1.2
78.05217	0.5
79.05478	1.4
81.03410	0.8
81.07037	4.9
83.04977	3.8
85.02894	4.6
87.04485	0.6
91.05462	1.3
93.07046	3.0
95.04948	2.2
95.08604	5.7
97.02901	1.2
97.06519	2.9
99.04398	1.3
105.07034	1.9
107.08582	2.3
109.06523	4.2
109.10177	1.1
117.07004	0.7
119.08591	1.2
121.10145	12.6
123.04388	0.7
123.08025	1.5
125.05997	3.0
127.03846	0.6
128.61607	0.6
135.11679	1.1
137.09595	0.6
139.00327	0.5
139.11172	52.0
140.11484	1.0
142.08647	0.7
143.08589	0.8
143.64143	0.6
145.04984	1.0
145.10146	1.1
145.31004	0.6
147.04489	0.5
151.11185	1.0
163.07536	2.5
163.11143	2.2
181.12222	25.6
182.12567	1.0
192.31880	0.6
195.47523	0.6
199.13284	100.0
200.13599	5.6
219.88313	0.6
262.12137	0.6
335.10956	2.9
354.66864	0.7
360.23706	1.6
378.19955	1.0
378.24747	6.2
379.09940	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	378.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09973	1.3
51.75431	1.2
55.05508	6.6
57.07072	4.7
61.95638	1.3
67.05515	2.9
69.03452	1.7
69.60193	4.0
71.65363	1.3
77.70801	1.3
79.05482	2.2
81.07054	2.0
83.04987	2.5
85.02934	2.5
85.06544	2.4
93.07050	5.4
95.08617	9.6
105.07026	1.5
107.08590	10.1
109.06533	2.5
109.10166	2.0
111.04443	50.0
111.08105	2.3
112.04777	2.1
113.05991	2.2
120.35457	1.5
121.06518	2.3
125.06004	14.1
125.23414	1.3
127.00048	2.0
135.08064	5.8
135.11703	9.5
145.10123	10.4
153.12752	4.3
163.11183	13.8
172.66052	1.3
181.12236	100.0
182.12645	5.3
183.30594	1.3
187.86212	1.2
199.13304	50.1
200.13687	2.1
273.11020	2.2
274.11328	5.0
298.26569	1.3
300.73358	1.4
310.12054	1.3
334.13464	3.5
378.12384	23.2
379.12668	2.3
400.11514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
55.05510	3.1
57.07075	1.8
67.05500	6.5
69.07075	3.8
69.80233	3.9
72.89941	1.1
73.06570	1.1
79.05495	3.9
81.07055	8.2
83.08644	2.1
91.05522	1.7
95.08607	7.4
97.06492	1.3
97.10153	1.4
98.23438	1.1
104.99296	1.2
105.07040	2.7
107.04967	6.3
109.10178	2.6
109.65123	1.2
110.03664	2.2
115.05479	2.3
117.07027	1.6
118.58884	1.2
119.04961	4.8
121.06560	1.3
121.10089	1.4
123.04449	3.3
123.11693	1.9
125.05981	15.3
129.06998	1.4
133.06525	7.9
137.05988	3.7
145.06451	1.3
147.04387	15.0
147.08025	2.4
149.05977	6.9
153.05466	64.4
154.05789	1.6
159.04529	5.8
160.05197	1.4
161.05980	31.2
162.06549	1.2
163.07536	2.7
167.07037	2.7
173.06004	3.5
175.07579	3.2
176.52208	1.1
177.05463	1.8
177.09108	2.2
177.96797	1.4
178.06235	2.0
179.07036	42.2
180.07474	1.4
189.09084	1.8
191.07004	2.4
191.10680	1.2
193.08601	100.0
194.09003	4.6
195.06578	7.0
201.09138	1.5
203.10782	1.6
205.08548	6.1
207.10144	5.5
219.10205	3.8
221.08083	9.0
221.11679	1.3
233.11777	1.5
235.09657	45.4
249.11298	4.1
249.15018	1.2
256.26425	3.0
273.22195	2.1
285.18478	1.8
287.20123	3.4
301.21619	6.7
304.20380	3.2
317.21152	6.1
318.21606	2.1
319.18845	1.5
319.22653	32.6
320.23102	3.5
343.22604	6.1
361.23752	24.9
378.30042	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	378.2641
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
55.05503	1.8
55.25985	0.5
55.33631	0.5
56.05028	1.6
57.07070	2.9
58.38194	0.6
59.02629	0.5
65.88387	0.5
67.05501	1.9
67.21102	0.5
69.07059	1.3
70.06599	5.9
70.63087	0.8
71.08639	0.8
73.77844	0.5
79.05520	0.7
80.05013	1.0
80.77683	0.5
81.07036	1.3
82.06585	2.1
83.07367	2.2
83.08629	0.8
84.08143	24.5
85.10214	0.6
91.05490	1.6
93.07019	0.7
95.08598	1.6
105.03386	0.8
107.04942	0.8
107.08630	0.5
108.08099	2.9
109.10162	0.5
119.04961	0.8
119.08595	0.8
120.08022	0.6
122.06017	1.2
123.04435	1.9
127.03928	3.0
129.06999	1.5
133.06491	0.8
136.07576	4.8
137.02289	0.6
137.05945	0.8
139.03932	1.3
141.05479	0.7
143.08603	0.9
146.09659	0.7
147.04457	0.8
147.08041	1.8
149.05952	1.4
151.07623	0.6
153.05492	2.6
155.03386	9.9
157.06465	0.6
161.05971	2.3
163.07584	1.5
164.07042	0.7
165.05591	0.8
167.03497	0.8
169.04985	1.6
174.09129	0.8
175.07553	6.0
176.07069	0.6
177.05499	2.5
177.09138	1.0
178.08630	1.7
179.07018	1.6
189.09079	0.9
190.08614	1.2
191.09381	1.0
192.06462	0.8
192.10255	2.0
193.05037	1.1
193.08600	1.7
202.08656	4.1
203.07066	5.6
205.07268	2.9
206.08157	1.1
220.09706	6.8
276.26938	0.9
304.26431	1.9
314.24802	1.1
332.22211	1.6
332.25797	8.1
333.24142	8.8
342.24158	1.2
343.22736	1.5
360.25323	24.6
361.25552	2.1
365.09808	0.6
378.26379	100.0
379.26715	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	378.264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	2.3
67.05502	2.6
67.13928	1.2
69.07053	1.3
71.04983	1.2
73.06552	1.3
73.39361	1.0
79.05482	3.0
79.84830	1.1
81.07058	3.1
84.08132	4.2
85.06532	2.2
91.05521	1.2
95.04973	1.3
95.08595	4.8
97.10144	1.2
97.90839	1.0
107.08640	1.8
107.93188	1.1
109.06571	1.8
109.10179	1.1
123.04436	7.3
125.05984	1.4
137.05977	100.0
138.06296	2.0
142.31252	1.5
151.07472	2.1
155.03394	1.6
163.07518	3.2
177.09126	4.3
191.10760	1.9
218.74655	1.2
228.54305	1.2
301.21555	1.4
305.21030	1.6
319.22672	61.6
320.22995	5.1
336.22903	1.3
337.23816	5.9
360.25290	2.7
361.23758	2.5
366.62024	1.3
378.26569	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	378.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.2
57.07077	10.9
58.07409	1.3
58.33573	0.9
62.64506	0.8
67.05502	2.9
67.13247	0.9
68.99783	1.1
69.07071	5.0
70.06599	1.2
71.08636	7.8
72.08961	1.3
74.04645	0.8
79.05495	1.2
81.07077	1.5
82.20631	0.8
83.08633	3.5
84.08144	2.6
85.10182	4.0
89.06020	9.7
90.06373	2.2
95.08626	1.2
97.10172	3.7
106.91264	0.8
109.10166	1.1
123.04428	100.0
124.04779	2.7
129.01866	4.1
133.08615	3.5
134.08911	1.2
137.06084	0.9
149.05971	4.8
151.09688	1.0
155.03394	1.6
161.05919	6.9
163.07590	1.7
165.05473	53.7
166.05861	1.0
175.07565	3.8
177.11276	0.9
177.16440	0.9
179.07056	2.4
185.08154	2.5
189.09117	4.8
191.10710	3.5
195.12344	3.9
196.12691	1.9
203.10648	4.8
205.12227	1.2
206.08163	2.2
211.55975	0.9
217.12262	1.7
245.11601	1.2
245.15590	1.2
245.87608	0.9
301.21600	23.2
302.22009	1.0
319.22699	8.4
343.22440	1.3
360.25449	4.0
361.23767	3.6
378.26486	13.6
379.26901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.4
61.02941	0.3
65.03942	0.3
67.05497	0.7
69.03419	0.7
70.84393	0.3
71.05000	1.8
79.05484	0.7
81.03395	0.7
81.07047	1.0
83.08620	0.4
85.02906	0.7
91.05486	6.9
93.07036	0.8
105.05496	0.6
105.07030	0.5
107.08603	0.8
109.10167	1.0
113.06009	0.7
119.08552	0.4
121.10148	0.4
123.11702	0.8
125.02094	0.7
127.00022	1.8
137.09666	0.4
151.11189	0.7
165.12747	2.3
167.03159	0.6
181.04953	0.6
181.12218	0.4
183.13797	0.9
185.04224	0.4
217.04675	0.8
227.05315	0.8
259.95911	0.4
263.22797	0.4
271.04343	2.2
275.08838	5.8
293.09940	2.5
323.09332	0.4
335.11005	9.1
335.17371	0.5
336.11356	0.7
337.12024	0.4
343.16241	0.4
379.09970	100.0
380.05798	0.7
380.10333	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65570	0.6
52.25323	0.7
60.04504	1.3
69.72301	1.8
72.76746	0.6
75.68044	0.6
77.77306	0.5
79.43909	0.6
79.98179	0.6
81.07050	1.0
86.38647	0.7
95.08563	0.7
98.23451	0.8
105.07024	0.7
121.10056	0.7
122.55858	0.6
123.11681	0.8
163.07594	1.7
183.13820	1.9
227.05176	1.1
271.04297	2.3
292.30463	0.6
293.09933	3.1
295.87589	0.7
335.10989	23.8
336.11240	1.8
378.24805	0.8
379.09976	100.0
380.10400	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	379.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76855	0.6
55.01869	1.2
55.05522	1.7
67.05496	1.4
67.92787	0.6
69.07074	1.0
69.78107	2.6
79.05499	1.3
81.07063	1.3
83.08620	0.7
87.04500	1.0
91.05482	1.5
93.07036	1.8
95.08609	1.3
100.11263	1.0
105.07030	1.2
111.04403	0.9
119.08600	1.5
121.10143	0.7
125.05999	1.4
126.22460	0.7
127.00060	2.8
140.07088	1.5
147.11667	1.3
153.05453	1.5
154.12288	1.3
168.06604	2.0
182.15436	1.5
210.14958	1.9
217.76865	0.8
231.13597	6.3
248.16379	1.1
264.19626	0.9
275.12531	25.2
276.12823	0.8
279.72870	0.8
281.18597	0.9
293.13531	4.8
307.10776	1.5
335.08136	0.8
335.14639	12.7
336.15082	1.3
355.13400	0.8
378.26794	1.3
379.13617	100.0
379.20645	3.6
380.14011	9.7
380.19330	0.9
380.20786	0.9
380.28650	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	379.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	1.0
69.64507	2.3
71.08636	0.7
89.06011	1.3
98.23464	1.3
112.56128	0.7
139.03871	1.3
157.09392	0.7
169.04950	3.8
195.12267	1.0
196.98206	3.6
248.26231	0.7
300.03192	0.6
303.19745	0.7
307.22668	3.8
338.45081	0.8
343.09857	0.7
379.18549	100.0
380.18954	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	379.2482
Annotation	Asbestinin-26
Peak:m/z	Relative Intensity
55.01870	1.9
55.05506	3.8
56.96574	2.6
57.07082	1.5
66.30002	0.9
67.05498	3.5
69.07061	2.4
71.08633	16.4
72.08153	3.0
79.05495	2.9
81.07057	9.6
83.08627	2.6
83.81266	0.9
91.05464	2.4
91.48425	0.9
93.07002	1.2
95.08612	3.8
97.10138	1.4
98.97595	1.6
99.08106	8.9
100.51601	0.8
100.53490	1.0
107.04886	1.2
107.08613	1.5
109.06513	4.5
109.10171	1.7
121.06498	1.4
123.04430	4.1
125.05976	1.5
135.08127	1.3
137.05977	100.0
138.06326	3.2
149.05992	2.0
151.07559	2.9
153.05426	6.5
159.08023	1.0
163.07556	17.3
175.07567	3.0
177.09055	5.6
177.89508	1.0
185.09598	1.4
189.09045	6.8
191.07086	1.7
193.08664	2.1
201.56688	0.9
203.10654	5.3
205.87296	1.0
231.13760	2.2
235.09547	1.2
240.02321	1.0
249.14818	5.4
252.27061	1.0
273.07471	1.2
301.21725	6.3
314.92145	1.2
319.22632	20.2
320.23038	1.4
337.23703	23.4
338.24023	1.4
338.96671	1.1
344.53665	1.1
357.19440	1.6
361.23706	77.9
362.23972	7.0
379.18341	9.2
379.24417	1.4
380.31531	1.8
400.47269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42849	3.2
55.01864	3.6
55.05515	42.5
57.07068	9.6
61.66320	3.0
65.03941	4.3
67.05506	25.8
69.07067	28.5
69.88792	4.5
69.89125	8.1
71.05006	5.9
71.08642	16.5
79.05491	17.4
81.07059	43.8
83.01357	6.8
83.08609	23.5
84.08136	7.9
85.10189	4.2
89.06033	4.3
91.05495	11.2
91.53138	3.2
93.07036	10.4
95.04990	6.4
95.08616	31.7
97.06543	4.4
97.10152	8.0
98.23415	4.7
99.08107	12.6
105.07002	6.8
107.08549	4.3
109.06530	10.9
109.10162	13.1
111.04533	3.9
115.11261	5.0
116.97529	3.6
117.07079	3.5
119.08606	4.3
121.06522	7.4
121.10164	4.8
123.04418	8.0
125.06007	8.9
133.06500	3.6
137.05984	72.9
139.03954	7.3
139.07530	5.8
140.04684	6.5
141.05537	3.7
145.06480	3.4
147.08072	5.6
149.05994	5.7
151.07561	5.7
153.05476	82.9
154.06265	22.8
155.03470	3.9
155.07083	12.1
157.06441	3.6
161.06001	5.7
163.03935	4.1
163.07483	6.8
165.05597	7.7
167.03423	24.2
167.07048	26.6
168.04198	12.5
169.04997	8.1
169.08595	14.9
175.07509	6.7
177.05476	13.0
177.09117	7.2
179.07108	8.1
181.04955	35.2
181.08536	4.8
182.05745	45.5
183.06528	86.4
185.09727	3.7
191.06996	8.1
191.51147	3.1
193.08574	10.2
197.08113	91.7
201.09160	4.0
203.06938	3.7
205.08728	4.5
207.10222	4.9
209.08101	8.9
217.08611	6.2
217.12167	4.7
218.08925	3.6
223.09528	4.3
231.10477	3.5
249.14746	3.7
277.14407	3.8
281.12091	3.6
287.19934	4.1
315.19580	4.7
319.22696	6.9
329.20920	5.7
334.24472	6.5
347.22141	59.6
348.22183	3.5
349.00674	3.2
351.25302	22.0
361.25565	13.6
363.25269	14.4
379.24622	100.0
380.25372	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	379.2477
Annotation	Annosquamosin E
Peak:m/z	Relative Intensity
51.02372	0.3
53.03949	0.3
55.01876	0.9
55.05288	0.4
55.05514	3.5
56.36577	0.2
57.03428	0.5
57.07075	2.2
59.04984	0.4
59.79879	0.3
63.36383	0.3
65.03930	0.6
67.05165	0.4
67.05510	7.7
68.99802	0.3
69.07072	3.8
69.12225	1.8
71.04985	0.3
71.08633	27.4
72.08965	0.5
77.03933	0.3
79.05499	2.0
81.07056	7.5
83.08617	4.1
85.06545	0.5
91.05479	0.7
93.07063	1.4
95.04971	3.8
95.08611	5.0
97.10190	1.8
99.08098	17.8
100.08433	0.7
100.70642	0.2
103.03927	0.4
103.05433	0.4
105.07026	0.8
107.04961	2.6
107.08588	0.9
109.02888	2.9
109.06532	0.9
109.10149	3.1
111.04444	0.5
111.11758	0.4
117.06970	0.4
119.08603	0.4
121.06480	1.6
121.10168	0.5
123.04432	88.9
123.11712	1.0
124.04770	2.8
125.06020	2.1
126.03147	1.7
127.11210	1.9
129.06979	0.4
131.04892	0.5
133.06482	1.0
135.04440	1.0
135.05479	0.3
135.08051	0.7
137.05978	14.1
138.03099	0.4
138.06343	0.6
139.03889	2.0
139.14854	0.4
140.04681	0.4
141.05453	1.8
141.12776	0.4
145.06520	0.7
147.04466	1.7
147.08049	1.2
149.05981	27.7
150.06335	1.2
151.07555	0.7
151.14821	0.5
153.04234	0.5
153.05476	9.1
154.05840	0.4
157.06520	1.7
160.05208	0.8
161.05988	6.8
161.09650	0.8
163.07547	18.0
164.07875	0.5
165.16418	0.4
171.08092	0.6
173.09673	0.8
175.07544	13.3
176.07896	0.6
177.05450	0.3
177.09084	2.2
177.16463	0.3
179.07074	0.9
185.09653	0.6
189.09106	13.0
189.12767	0.9
190.09384	0.7
191.08745	0.3
191.10692	0.9
193.08571	1.0
195.17444	1.7
197.19006	1.0
200.31882	0.3
203.10666	5.1
205.12227	0.6
213.17337	0.3
217.12184	1.3
219.13846	0.4
231.13930	0.4
259.20776	0.3
269.19098	0.6
287.20041	9.6
288.20352	0.6
301.21631	1.7
305.21115	16.9
306.21530	1.5
319.22635	1.6
337.23721	100.0
338.24054	9.2
342.26947	0.3
347.22073	0.3
353.43213	0.3
361.23746	0.3
379.20721	0.6
379.24875	4.0
380.25174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.4
57.07036	6.6
67.05497	14.8
69.07054	10.2
71.08624	30.5
72.08949	10.0
81.05922	5.7
81.07079	12.4
84.80600	6.5
88.11268	78.9
89.11592	15.5
92.17854	6.6
95.04956	7.8
123.04447	34.8
126.03117	11.0
136.01823	7.8
141.05484	35.1
143.74138	6.2
169.04973	100.0
193.08661	7.9
224.62723	6.6
271.35281	6.2
280.26343	7.1
292.23111	8.1
337.23706	53.4
338.23969	7.6
378.33484	16.3
379.34030	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.248
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
55.01867	2.8
55.05513	8.5
57.07079	6.3
59.04993	3.0
65.03936	0.9
67.05506	8.0
68.99801	1.0
69.03452	1.2
69.07069	13.6
71.04993	1.2
71.08628	3.6
79.05486	8.3
81.07046	8.9
83.08602	3.3
84.39239	0.9
85.02911	12.1
85.10192	1.1
91.05476	10.6
93.07055	6.7
95.04960	4.1
95.08596	3.9
97.06533	15.1
97.10159	1.2
103.05451	1.8
105.03370	1.1
105.07019	11.4
107.04967	2.3
107.08591	1.9
109.06515	4.6
109.10146	3.3
111.04437	3.6
111.08102	1.3
115.05450	1.5
117.07012	4.0
119.04935	2.9
119.08572	5.2
121.06487	3.7
121.10120	1.4
123.04427	6.0
123.08080	1.5
123.11698	2.0
125.05096	1.9
125.05984	18.8
127.73399	0.9
127.74680	1.0
128.06216	4.1
129.07016	8.4
131.04901	2.5
131.08548	4.8
133.06483	6.8
133.10129	4.2
135.08037	8.5
137.02322	7.3
137.05965	3.8
137.09576	1.7
138.06787	1.5
139.03889	2.0
141.06943	1.3
142.07784	1.7
143.08554	6.5
144.05663	1.3
145.06494	3.6
145.10141	2.0
146.07274	2.3
147.04424	1.5
147.08055	9.4
149.05994	10.1
149.09625	2.6
151.03894	3.4
151.07529	8.1
153.05450	2.3
154.42459	0.9
155.00894	1.0
155.03394	9.0
155.08513	1.8
157.06500	6.3
157.10104	2.6
158.07220	2.2
159.04384	1.0
159.08025	5.5
160.05229	1.5
160.08597	1.0
161.05989	3.9
161.09601	12.8
163.07530	4.0
165.05464	1.3
165.09132	6.2
165.53003	0.9
170.07210	1.2
171.08070	4.2
171.11670	1.8
173.05968	2.3
173.09596	9.6
174.06735	3.6
174.10025	0.9
175.07539	27.5
175.11176	12.2
176.07997	1.9
177.05461	1.6
177.09070	3.3
179.07018	1.7
179.10689	1.9
181.08524	1.3
183.08083	1.6
183.11649	1.0
184.05219	1.1
185.09550	4.6
187.07545	3.7
187.11174	1.3
188.08282	3.2
189.09099	26.5
189.12636	1.6
191.07014	1.4
191.10609	2.1
193.08606	4.5
199.07559	4.3
199.11218	3.5
200.08315	2.0
201.09105	2.8
202.06227	1.6
203.10678	17.3
203.12502	1.8
205.08580	2.8
207.07149	1.0
207.10252	1.9
207.17505	1.1
213.09126	1.7
213.12737	1.1
216.07874	1.5
217.08603	3.3
217.15712	1.0
231.10153	19.4
235.16898	5.2
237.18486	21.4
237.44655	1.1
238.18970	1.4
245.11855	1.4
259.20673	5.3
263.16428	4.0
265.18024	2.7
269.18958	1.3
275.19968	1.5
277.21634	1.6
281.17465	10.4
282.17850	1.1
283.20554	3.4
287.20004	1.4
291.19351	1.1
301.21606	22.3
302.22043	2.2
307.22629	2.0
311.20074	1.9
315.23172	5.7
317.21069	10.1
319.22653	26.3
320.22928	2.9
329.21042	3.0
331.22650	4.3
333.24255	8.6
335.22275	5.2
337.23795	5.0
343.22678	100.0
344.23038	9.7
361.23718	61.2
362.23880	5.9
379.20877	1.8
379.25839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1316
Annotation	3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.05528	0.3
60.04526	0.5
68.84773	0.3
69.03450	0.6
69.07057	0.8
70.61692	0.4
70.62036	0.4
79.13364	0.3
81.07048	0.3
83.04966	0.4
85.02914	1.2
86.09679	0.4
86.34840	0.3
91.05482	0.4
93.07055	0.4
95.08601	0.6
97.02894	0.4
97.06509	0.4
99.04429	0.3
105.07007	0.3
107.08576	0.5
109.06489	0.3
109.10178	0.6
111.04446	0.5
113.02382	0.7
119.08549	0.3
120.08107	0.4
123.08092	0.6
128.40990	0.3
134.06018	0.8
135.04427	0.5
135.11703	0.4
137.09653	0.4
165.09108	0.7
165.12810	0.4
178.08614	2.7
178.47716	0.3
183.10159	2.5
183.13783	0.4
183.75352	0.3
200.06851	1.1
201.11226	0.7
218.07852	1.7
266.18454	2.9
348.17023	0.4
380.13147	100.0
380.21310	4.6
381.13562	7.2
381.21234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86336	0.7
53.03945	7.4
54.37408	0.8
55.01869	8.0
55.05514	34.4
55.87449	0.8
57.03424	6.5
61.02925	6.8
61.03624	0.8
67.05501	2.6
68.99796	3.1
69.03430	33.9
69.07074	6.3
71.01335	0.9
71.05001	7.4
73.02911	8.3
79.05492	1.7
81.03415	29.7
81.07056	2.8
83.01361	1.3
83.04974	2.4
83.08626	0.9
85.02905	100.0
85.06538	2.9
86.03239	1.9
87.00828	35.2
87.04474	2.3
89.04967	0.8
91.03959	2.1
91.05458	2.4
93.07039	3.8
95.04967	1.2
95.08597	9.6
97.02894	34.0
97.06547	1.3
97.10168	34.4
98.65585	0.8
99.04455	15.2
105.01865	41.9
105.07037	2.7
105.84463	0.8
106.02224	1.0
107.08596	3.3
108.04497	3.2
109.02879	27.6
109.06532	2.4
109.10152	3.4
111.04438	1.8
111.08060	1.0
113.09636	1.7
115.03938	0.9
115.11212	21.7
117.01856	3.6
119.08602	1.7
121.06526	1.2
121.10154	3.7
123.11700	1.3
125.09621	8.3
126.05542	2.1
127.03912	67.1
127.11208	1.3
128.04329	1.2
129.01872	4.6
131.08614	1.4
133.10141	2.5
135.11714	1.6
137.09589	3.3
139.11162	2.5
145.04955	33.6
145.10120	1.7
146.05312	0.9
147.02902	4.0
149.09630	1.7
151.07579	2.7
151.11157	2.3
152.30186	1.0
153.09099	2.6
155.10686	2.9
159.02892	19.3
159.11717	1.8
161.09624	2.6
162.12735	0.9
163.11180	1.7
165.12849	0.9
171.02852	0.9
177.04041	1.1
177.12769	1.5
179.10718	1.2
181.12244	3.0
183.13814	1.0
187.11143	1.3
189.03973	3.0
193.12280	1.0
201.16576	0.9
205.12303	6.0
213.04007	3.1
223.13304	13.1
230.06575	1.5
231.04968	16.9
241.14345	2.4
248.07635	2.4
248.16524	3.1
249.06052	3.8
264.19611	2.9
283.15393	3.2
309.13306	13.1
310.13611	0.9
327.14526	4.3
345.15359	1.2
356.98636	0.9
380.28003	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	380.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31579	1.8
57.03418	2.1
59.04982	2.0
61.02932	2.8
66.50241	1.5
67.05504	6.8
69.03426	4.2
69.07062	2.3
69.64745	3.8
71.04994	56.6
71.22440	1.7
79.05499	13.6
81.07051	14.9
85.02908	16.4
85.06493	2.4
91.05481	4.4
93.07055	15.6
95.04993	3.7
95.08601	12.2
96.60079	1.8
97.02912	4.8
97.06559	5.8
98.22719	2.3
99.08102	4.5
105.07038	11.1
107.08595	13.6
109.10207	2.7
119.08549	6.2
121.03823	1.7
121.10179	7.9
123.11699	2.5
127.03887	2.8
131.08560	2.6
133.51317	1.8
135.11746	1.9
136.07603	1.9
137.09592	2.6
137.13222	3.4
145.04884	2.4
147.11667	15.5
151.03909	25.2
165.12766	100.0
166.13077	5.7
183.10219	3.0
183.13800	39.0
184.14233	2.4
196.60980	1.8
201.11153	3.1
203.45198	1.7
213.06673	3.4
215.11885	2.2
219.00555	6.8
227.08141	2.9
231.11424	2.2
242.10402	3.8
243.11270	3.8
259.10791	2.1
303.13345	13.4
319.12970	5.7
321.14334	2.3
331.12811	12.4
349.14017	11.0
357.38956	1.9
362.19296	5.2
380.10339	10.4
380.20560	11.9
381.05692	6.7
381.15649	8.2
381.20874	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57298	1.5
54.83307	1.4
55.05512	2.8
57.03418	2.7
58.15818	1.5
61.02926	2.2
67.05488	2.9
68.11190	1.4
69.03423	4.3
69.07050	2.1
71.04993	53.6
71.42329	2.0
72.08147	2.2
73.09340	1.2
79.05492	13.6
81.03393	2.0
81.07053	12.7
83.04965	1.9
85.02904	15.2
91.05470	6.5
91.38078	1.5
93.07044	11.8
94.39753	1.6
95.04979	2.4
95.08620	10.5
97.02876	3.6
97.06549	4.3
99.08086	3.1
105.07021	7.9
107.08588	14.4
109.06469	1.9
109.10151	4.4
110.08962	1.4
119.08566	5.4
120.08121	2.4
121.10155	5.7
123.07969	2.1
123.11749	2.3
127.03915	1.7
127.07569	2.4
130.42889	1.4
133.10164	2.5
136.06190	2.4
137.09605	2.6
137.13252	2.9
145.04964	2.6
147.11690	13.5
151.03928	14.8
159.11670	1.6
163.37845	1.6
165.12752	100.0
166.13097	5.0
183.10181	2.7
183.13815	37.0
187.10724	1.7
197.42516	1.4
199.08731	1.7
201.11221	2.4
213.06509	1.7
219.00607	2.2
227.08153	3.8
238.10663	1.6
241.09753	2.1
242.10484	3.5
260.11523	2.2
271.10953	2.2
291.13272	1.7
303.13385	18.3
319.12665	7.3
321.14441	2.0
331.13025	11.9
336.11450	1.9
349.13998	9.6
362.19312	2.0
380.10211	12.4
380.20227	8.2
381.05826	5.5
381.15964	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	380.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
53.07351	1.6
55.01876	1.5
55.05501	2.4
57.07080	2.9
59.05001	6.0
61.02928	3.4
67.05512	5.7
69.03417	4.5
69.07069	9.0
69.52324	5.1
71.04996	3.7
72.13523	1.4
73.02918	1.7
79.05496	7.5
81.03396	2.7
81.07063	28.5
83.04977	2.1
83.08624	4.4
84.47850	1.8
85.02904	21.5
85.06544	4.3
91.05495	4.8
93.07014	2.7
95.04969	6.6
95.08607	11.9
97.02887	3.6
97.06516	2.1
98.23479	2.4
99.04495	3.1
99.89656	1.5
105.05550	1.7
105.07043	10.0
107.08598	57.5
108.08970	2.2
109.06519	11.7
117.21280	1.4
118.75967	1.6
119.08571	8.6
121.10126	10.5
123.11713	100.0
124.12035	4.3
125.09644	3.7
127.03915	4.9
127.07564	3.6
137.13257	3.5
141.12744	52.5
145.04980	7.9
147.11694	45.8
148.11977	2.2
151.46214	1.7
163.06111	2.3
165.12773	24.6
183.12239	3.0
183.13821	49.6
183.15460	3.0
201.14864	45.7
202.15172	2.7
262.13452	1.5
273.67673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
59.04976	0.3
59.47332	0.3
60.79782	0.3
62.34888	0.3
67.05503	2.3
69.03408	0.4
69.07062	0.7
71.04987	2.3
71.11384	0.3
71.42901	0.3
76.92934	0.3
79.05483	0.8
81.03424	0.6
81.07050	2.7
83.08630	0.4
85.02892	1.1
85.75866	0.3
91.05482	0.5
93.07031	1.6
94.04041	0.7
95.08599	1.8
97.02868	0.4
97.06486	0.3
97.10175	0.3
105.01842	0.3
105.07032	0.4
107.08593	1.2
108.08153	0.3
109.05080	0.3
109.10165	1.0
110.47044	0.3
117.07024	0.5
119.03526	1.5
119.08560	0.8
123.11706	1.1
125.09601	0.3
127.03893	0.4
131.08578	0.5
135.11681	0.5
136.06180	100.0
137.04581	1.4
137.06679	1.8
137.13281	0.4
145.10080	0.4
147.11685	0.6
149.13275	0.9
159.11670	0.9
161.13214	0.3
162.12778	0.9
165.12720	0.5
169.08589	0.4
183.13802	1.3
195.13919	0.3
201.16411	0.6
219.17406	0.3
227.16434	0.9
248.16513	1.6
255.10893	0.4
264.19650	2.1
286.16537	0.3
330.19257	1.0
344.20834	0.6
348.20309	9.6
348.24628	0.5
349.20761	0.7
362.21729	2.7
363.22086	0.4
380.22983	27.8
380.27863	2.5
381.23279	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	380.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.9
56.61148	4.5
57.07072	7.0
67.05499	5.9
69.07063	6.0
71.08605	6.0
78.41045	4.3
81.07048	5.7
85.10208	4.9
89.06020	15.7
93.07024	4.2
95.04961	8.8
101.17079	4.0
105.06984	8.2
123.04399	11.3
133.08611	5.2
139.03908	17.1
140.93939	4.7
141.05502	12.0
149.02292	6.8
153.05431	4.9
153.09087	4.6
163.03903	19.0
167.03387	5.1
169.04956	68.4
177.24423	4.1
195.12222	21.1
247.20726	5.4
275.19937	9.8
303.19507	7.1
307.22714	62.3
308.22827	5.5
317.20911	10.1
335.22055	10.8
344.40399	4.7
380.18890	100.0
381.31689	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	380.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.3
57.03425	1.4
57.07065	2.5
59.04966	1.0
67.05471	2.4
69.07066	2.4
69.36762	3.2
69.37170	2.0
71.08269	1.5
71.08631	19.3
74.08501	1.0
81.07057	3.4
83.08608	2.3
89.06035	5.8
92.00472	1.0
95.08588	3.1
97.10168	2.0
99.08099	10.5
107.04933	1.1
109.10159	0.9
123.04408	2.4
125.06012	7.2
133.08607	2.7
135.82387	1.0
137.05980	24.2
163.07564	5.1
177.07674	0.9
177.09056	5.7
177.11298	1.0
185.84723	1.0
195.12346	4.6
203.63132	0.9
222.06404	0.9
223.16251	0.9
303.23203	1.5
316.27115	1.0
321.24237	100.0
322.24551	9.1
339.15567	1.1
363.25320	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	380.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18972	8.3
52.96822	7.4
55.05505	10.9
55.69728	6.7
56.96554	10.5
57.07091	38.2
57.07327	7.2
57.31524	7.4
57.36560	6.0
60.64964	7.7
67.05499	7.6
69.16361	6.9
69.32691	18.5
69.33078	16.0
71.08634	58.5
81.07047	21.0
83.08642	9.7
85.10189	22.4
89.06038	30.3
89.93991	6.8
91.92147	6.8
95.08629	9.2
98.23454	13.3
98.97552	9.0
99.08108	17.7
100.11346	8.0
123.04447	22.5
125.06008	16.3
133.08572	16.4
137.05994	58.7
138.06328	31.3
149.97707	7.3
153.05438	8.1
161.69391	6.7
163.07520	14.0
164.07870	12.7
171.37469	6.9
176.07921	8.0
177.09120	10.8
189.09114	7.7
195.12282	20.8
230.09572	7.7
274.97156	7.6
307.22559	51.8
321.24283	58.0
337.23581	9.1
338.24060	60.2
339.24179	8.5
349.23633	22.7
362.23981	100.0
363.25201	9.6
363.30984	29.7
363.43094	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	380.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.5
57.07059	4.9
59.04998	29.8
66.05386	2.5
67.05495	23.5
69.07058	11.7
71.90288	2.5
79.05480	9.3
80.94833	3.4
81.07063	25.1
83.08615	4.7
91.05476	4.1
93.07031	4.4
95.08606	29.0
98.97581	10.6
105.07033	3.0
107.04937	5.0
109.10130	15.1
114.96066	2.5
115.07546	4.1
115.11153	3.5
119.08562	2.6
121.10126	3.6
123.11678	4.2
131.75427	2.8
133.10155	2.8
137.05972	100.0
138.06366	3.1
161.05925	3.1
163.07494	14.9
165.16373	5.0
173.15370	8.2
175.07556	16.3
177.09081	4.1
187.07555	12.4
189.09113	6.9
189.16357	8.6
201.09207	3.6
203.10628	7.5
205.12209	4.4
215.10675	21.8
216.11333	7.5
217.12244	6.2
229.12224	22.5
230.12863	2.9
243.13612	3.9
245.15376	7.2
274.97394	12.8
275.00189	3.0
292.98441	6.6
327.23154	61.6
328.23505	5.8
338.96722	10.8
345.24240	3.6
349.23682	8.0
356.97775	3.5
380.30475	3.3
391.07007	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	380.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13329	0.5
54.69650	0.4
55.05508	3.7
57.03405	0.5
57.07077	6.8
59.04993	0.9
60.64562	0.4
67.05503	2.8
69.07062	1.4
71.08631	21.0
71.43356	0.5
79.05474	0.5
81.07058	4.2
83.08611	3.2
85.06538	1.0
85.10177	2.5
89.06029	5.6
91.05496	0.5
93.07014	0.7
94.06512	0.4
95.08591	3.6
97.10159	1.2
99.08093	12.6
105.07009	0.6
107.04983	0.7
109.10152	3.0
113.13266	0.4
115.89219	0.4
121.06451	0.8
121.10174	0.7
123.11714	0.9
125.05991	7.6
133.08598	1.8
137.05975	19.2
138.06302	0.5
151.09677	0.5
163.07527	2.3
164.63458	0.5
177.09122	4.3
177.11263	1.1
179.18037	0.5
191.10576	0.5
195.12271	5.3
195.98105	0.4
197.18983	0.7
244.45941	0.5
248.58258	0.5
251.16443	0.5
303.23212	1.1
321.24231	100.0
322.24548	9.7
363.25253	8.3
363.31018	4.7
364.25745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28521	0.5
55.77668	0.5
62.83351	0.5
63.87622	0.6
71.36662	0.7
72.70672	0.5
79.23788	0.5
88.41283	0.6
186.49333	0.6
187.60651	0.5
201.01593	3.4
219.02641	2.6
226.56506	0.5
381.07928	100.0
382.08237	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	381.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34725	3.0
67.05478	3.6
67.11565	2.4
69.03428	2.9
69.20150	14.3
79.05490	3.2
81.07029	4.6
85.02868	12.6
86.27236	2.9
95.08583	8.2
98.22697	5.8
102.02265	2.4
105.06954	6.7
107.08585	3.8
109.10107	3.6
115.03899	3.0
119.08486	4.7
121.10158	2.9
121.89399	2.8
131.08528	4.8
133.10057	2.7
145.04924	3.3
145.10068	4.9
159.11650	4.9
201.16251	10.7
203.17892	4.1
219.09882	4.0
219.17332	8.0
308.56406	2.9
380.26285	3.6
381.09247	100.0
382.09622	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	381.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10406	0.3
66.54169	0.4
70.04121	1.0
88.21065	0.4
98.23363	0.4
113.29591	0.3
150.80353	0.4
185.04207	1.1
193.41997	0.3
214.52321	0.3
219.06277	1.3
237.06104	0.6
260.23233	0.4
381.11554	100.0
382.11862	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	381.2062
Annotation	CHEBI:69294
Peak:m/z	Relative Intensity
58.17917	0.5
62.67471	0.5
69.93717	0.7
69.94051	1.3
77.05801	0.5
98.23335	0.8
102.71584	0.5
105.61980	0.6
121.03175	0.5
129.69560	0.5
131.97011	0.5
147.75064	0.5
163.07608	0.6
173.43140	0.5
186.48914	0.7
194.43660	0.5
213.19977	0.5
253.08600	4.5
254.09456	3.8
267.10123	1.1
281.08093	5.5
282.08768	1.9
283.16705	0.6
296.10394	6.9
297.10953	0.9
329.56607	0.5
334.84219	0.5
338.18753	17.3
339.19214	1.9
366.18243	26.5
367.18558	2.2
381.20590	100.0
382.20898	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	381.2172
Annotation	(-)-Majoridine
Peak:m/z	Relative Intensity
54.72178	0.6
54.72475	0.6
55.05488	0.7
67.05505	1.0
69.07034	0.8
79.05495	1.6
81.03387	0.7
81.07053	2.2
82.06557	0.7
83.04980	0.7
91.05485	1.4
93.07053	2.0
95.08596	1.3
105.03404	1.2
105.07042	1.7
107.08601	2.6
108.08163	0.8
109.10198	0.8
118.06561	0.8
119.08588	1.9
121.10159	1.1
123.05568	5.4
130.06543	1.6
131.08502	0.7
133.10107	0.9
136.11249	0.7
144.08116	1.0
146.05963	1.2
151.05031	5.2
153.10239	1.0
158.06010	1.5
159.11670	0.9
161.13147	0.9
163.14917	0.7
173.07126	1.1
207.00729	0.6
211.08647	56.9
212.09047	3.3
219.07664	2.5
239.11827	1.6
240.12663	2.3
241.13208	1.3
265.19934	0.9
267.14734	0.8
283.10754	55.4
284.11063	3.7
311.20624	0.7
312.14679	2.6
313.15320	3.8
325.15359	0.9
344.13553	0.7
363.27325	0.9
376.89639	0.8
381.21750	100.0
382.22012	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	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44968	1.0
55.01874	1.9
55.05505	1.4
56.02551	1.0
57.03430	4.0
57.21721	0.9
61.02924	3.4
63.47010	0.9
63.80304	0.9
67.05515	6.1
69.03419	7.5
69.07067	2.2
69.34534	4.4
71.01338	1.2
71.04996	1.5
72.22201	1.0
73.02921	4.4
79.05482	7.1
81.03437	4.8
81.07054	13.9
83.04962	2.2
83.08638	1.0
85.02905	34.3
85.03416	1.8
85.94138	1.0
91.03972	1.3
91.05479	6.9
93.07038	20.7
95.04962	3.6
95.08607	15.0
97.02888	11.9
99.04482	2.7
103.03905	1.2
105.07028	40.3
106.07370	1.6
107.04998	1.1
107.08585	20.8
107.09253	1.4
109.02876	5.0
109.10132	6.9
111.04456	1.6
115.03937	2.6
115.05415	1.1
117.07020	6.5
119.08572	13.2
121.10154	8.7
127.03909	8.6
129.06993	2.4
130.07808	2.1
131.08568	28.1
132.08932	1.4
133.04926	1.3
133.10110	7.6
135.11732	2.2
137.09639	1.4
143.07588	1.1
143.08508	6.1
145.04984	8.9
145.10123	43.9
146.10452	2.3
147.08029	1.1
147.11655	4.8
157.10092	5.1
159.08116	1.7
159.11676	19.6
161.09692	1.1
161.13307	2.4
163.06047	2.6
163.07692	1.4
169.10202	2.4
171.11729	3.9
173.09669	0.9
173.13264	7.0
175.11217	1.0
179.26961	1.0
181.01309	1.9
181.10117	1.7
185.13315	1.6
187.07565	1.1
187.14822	2.6
189.16373	3.3
194.08177	1.8
197.13362	1.2
199.14796	8.9
201.16373	100.0
202.16673	5.4
203.17940	4.3
213.16405	4.5
217.15999	1.3
219.10101	1.2
219.17435	18.5
229.15923	2.9
231.17477	4.9
233.11642	2.0
237.16348	1.1
237.18483	1.0
241.15988	2.6
243.17545	2.4
245.04530	3.2
247.14156	0.9
247.16931	1.7
249.11313	2.4
259.16974	8.5
267.17505	1.5
273.18512	2.4
285.18546	1.5
297.18472	5.9
299.20261	1.1
309.18433	2.2
315.19519	3.9
327.19534	4.2
333.20746	1.2
345.13123	1.0
345.20581	8.8
346.20901	1.4
363.21573	9.6
364.22018	1.1
381.22687	19.5
382.22913	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15015	1.5
55.05500	5.1
57.07076	100.0
58.07383	2.4
67.05505	12.7
69.07070	2.8
71.08649	2.0
71.09093	2.1
79.05498	3.4
80.94849	4.3
81.07058	4.9
91.05481	3.0
93.07033	2.1
95.08576	3.5
98.23171	1.9
99.08070	1.9
107.08597	2.9
109.10175	9.8
117.06979	3.1
119.04998	2.1
121.06502	4.0
123.08015	1.8
124.84784	1.8
127.11195	30.8
128.11615	1.7
131.08609	1.8
137.05968	7.5
139.07535	6.7
145.06499	3.1
147.04468	1.9
147.11716	1.7
147.78076	1.7
151.07602	4.8
153.05482	10.3
159.08054	4.0
163.07552	7.7
165.05420	1.7
167.07066	18.1
173.05923	4.3
177.09122	10.3
179.07060	8.4
183.06557	6.5
184.67744	1.8
187.07587	7.3
191.06995	5.1
191.10622	2.5
193.08571	2.8
195.17416	2.1
201.09230	2.5
205.08611	10.1
208.07220	2.2
219.10170	3.6
223.09633	20.6
257.19031	2.0
271.17014	3.6
275.20004	5.9
289.18066	5.9
303.19513	35.2
304.19849	3.3
304.23218	2.3
307.19043	5.7
321.20670	34.6
321.24249	6.5
322.20767	3.6
349.23541	3.2
363.21683	8.1
381.26834	1.7
384.27802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77621	2.2
57.07088	11.3
58.07397	3.0
69.83375	4.4
69.83769	5.5
71.08611	6.5
75.24715	2.5
81.36034	2.4
81.52192	2.3
84.36829	2.2
85.10163	3.1
89.06023	27.2
90.06377	6.7
94.13524	2.4
96.20023	2.9
98.23016	6.7
133.08585	8.4
134.08958	2.9
148.56415	2.2
151.09659	2.1
177.09067	2.5
195.12326	9.5
196.12589	6.5
211.13017	5.4
231.02405	2.3
244.61674	2.6
299.88016	2.3
364.31384	15.8
381.26077	100.0
382.26266	8.3
399.17245	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	381.2637
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
55.05519	8.1
57.07073	5.7
57.61608	1.9
59.05002	27.1
67.05503	6.8
67.44857	1.7
69.07058	6.9
70.32554	4.2
71.08630	10.7
72.91370	1.7
80.94858	5.0
81.07043	8.1
83.08601	2.0
85.06551	2.9
85.20953	1.8
91.05486	3.3
95.08614	7.5
95.78123	1.6
98.22703	1.9
99.08092	3.7
107.04944	2.3
109.06525	2.6
109.10190	2.8
115.11224	5.0
117.07051	2.4
117.09122	2.5
121.06475	2.5
125.05994	8.2
134.47638	1.5
137.05972	100.0
138.06322	3.5
151.07587	4.4
160.86540	1.7
163.07510	14.6
164.92111	1.8
167.06659	1.9
173.15388	5.2
177.09106	33.1
191.10661	10.6
205.12164	2.8
233.15408	1.9
250.86089	1.8
251.16484	3.6
303.23270	15.1
321.20383	3.9
321.24207	69.2
322.24542	6.1
366.17987	1.7
381.20578	4.5
381.26099	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	382.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33509	0.6
57.03429	0.7
57.07090	3.2
59.05011	1.5
61.02909	1.3
67.05510	2.5
69.03413	1.1
69.07068	2.3
69.79794	2.3
70.02942	2.8
72.04527	7.5
73.02923	1.6
81.07048	1.8
83.04961	1.4
85.02900	3.4
85.06542	4.4
86.09699	1.4
90.05560	51.5
95.04988	3.9
96.08134	1.2
97.02869	2.1
97.06504	1.7
98.02415	7.2
100.03983	1.2
103.07566	3.3
104.07117	1.0
110.97574	1.5
113.06009	2.7
116.03455	7.5
120.07146	0.7
121.10139	0.9
124.07593	7.7
125.09615	1.1
128.98657	0.8
131.07047	0.9
136.06201	1.0
142.08607	3.6
146.06065	0.7
146.99709	0.6
160.09691	1.2
166.08632	1.2
167.06984	0.9
167.10701	2.5
174.11191	1.6
184.09702	11.7
184.46352	0.7
185.04279	0.8
185.08121	1.7
185.11752	2.4
202.10753	18.6
203.12801	1.7
220.11809	100.0
221.04326	0.9
221.12535	3.3
238.77937	0.7
250.12975	2.5
258.14325	0.7
295.21289	0.6
367.81006	0.8
383.09198	4.6
383.13251	3.9
383.18277	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1709
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01878	1.1
55.05508	0.9
57.07064	2.4
59.04987	1.8
61.02914	1.2
67.05492	1.6
69.03414	2.1
69.07055	2.2
70.02939	2.2
72.04518	6.9
73.02908	1.9
74.02436	0.7
79.05518	0.9
81.07029	0.7
81.27962	0.6
81.74798	0.6
81.92915	0.7
84.38974	0.6
85.02898	4.1
85.06551	5.0
86.09703	0.9
87.08110	1.0
90.05556	55.1
95.04968	3.0
96.08119	0.7
97.02878	1.3
98.02404	8.0
100.03948	1.1
103.07592	3.6
106.72182	0.6
113.06004	1.9
116.03457	5.9
124.07581	7.3
127.72546	0.6
131.07042	0.7
142.08641	4.6
149.27454	0.6
160.09641	0.8
166.08643	1.4
167.10701	1.7
168.08344	0.7
174.11330	1.4
184.09691	12.4
185.04294	0.7
202.10745	19.0
203.12692	1.0
214.87169	0.6
220.11800	100.0
221.12195	4.0
243.67415	0.7
265.10522	0.7
304.92526	0.8
383.09247	7.3
383.13242	1.7
383.17529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1865
Annotation	Petasitenine
Peak:m/z	Relative Intensity
53.03960	0.8
55.05507	1.6
57.03431	1.0
58.80497	0.5
59.04987	0.6
65.03951	1.7
67.05471	0.6
67.34600	0.6
69.03429	2.0
69.07074	2.6
70.06594	100.0
71.04995	1.7
71.06915	1.8
76.05330	0.6
79.05496	1.9
81.03420	2.4
81.07052	2.3
82.06588	1.6
82.42377	0.6
83.04999	1.2
85.02904	5.1
87.04469	0.8
87.26930	0.6
91.05482	51.0
92.05816	1.6
93.07059	4.4
95.08617	2.4
97.02930	1.5
99.04453	1.4
101.06046	0.9
105.01907	0.6
105.07040	1.1
107.08591	4.5
109.02889	3.2
110.06048	2.9
111.04468	4.0
112.07621	2.2
115.03979	1.3
121.10144	5.7
125.06046	0.8
127.03919	3.9
128.07076	6.8
129.05499	0.9
130.08649	13.2
130.09492	0.5
135.04439	1.6
139.11188	4.5
142.07309	0.5
145.04976	1.9
149.09608	4.6
157.12254	2.3
160.11224	3.8
167.10684	7.5
172.09726	1.0
185.10060	0.9
185.11737	19.0
185.77737	0.6
186.12315	0.6
187.06065	1.6
203.12717	2.9
205.07072	1.8
238.10721	1.5
256.11847	5.6
274.12820	14.7
275.13208	1.3
356.71915	0.6
382.18622	45.0
383.19449	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	382.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
55.05507	1.6
57.03431	1.0
58.80497	0.5
59.04987	0.6
65.03951	1.7
67.05471	0.6
67.34600	0.6
69.03429	2.0
69.07074	2.6
70.06594	100.0
71.04995	1.7
71.06915	1.8
76.05330	0.6
79.05496	1.9
81.03420	2.4
81.07052	2.3
82.06588	1.6
82.42377	0.6
83.04999	1.2
85.02904	5.1
87.04469	0.8
87.26930	0.6
91.05482	51.0
92.05816	1.6
93.07059	4.4
95.08617	2.4
97.02930	1.5
99.04453	1.4
101.06046	0.9
105.01907	0.6
105.07040	1.1
107.08591	4.5
109.02889	3.2
110.06048	2.9
111.04468	4.0
112.07621	2.2
115.03979	1.3
121.10144	5.7
125.06046	0.8
127.03919	3.9
128.07076	6.8
129.05499	0.9
130.08649	13.2
130.09492	0.5
135.04439	1.6
139.11188	4.5
142.07309	0.5
145.04976	1.9
149.09608	4.6
157.12254	2.3
160.11224	3.8
167.10684	7.5
172.09726	1.0
185.10060	0.9
185.11737	19.0
185.77737	0.6
186.12315	0.6
187.06065	1.6
203.12717	2.9
205.07072	1.8
238.10721	1.5
256.11847	5.6
274.12820	14.7
275.13208	1.3
356.71915	0.6
382.18622	45.0
383.19449	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01864	4.9
55.05507	4.9
57.03430	2.0
60.04516	2.8
61.02918	1.1
65.88768	0.7
67.05502	5.6
69.03416	2.2
69.07066	7.2
69.89507	1.7
71.04992	10.2
79.05484	9.5
80.05807	0.8
81.03426	1.2
81.07050	4.6
83.04961	4.6
83.22910	0.7
85.02904	10.3
85.06546	2.8
87.04464	9.5
91.05476	2.0
93.07039	13.2
95.05016	1.5
95.08598	4.8
97.02883	2.5
97.06519	16.4
97.10201	0.9
99.04461	2.2
101.02328	0.9
105.07019	4.0
107.04971	1.7
107.08588	22.8
108.08936	1.5
109.06490	1.0
109.10173	1.4
111.04455	5.2
113.06000	42.4
115.03912	5.3
119.08608	2.6
121.06535	1.3
121.10134	25.7
122.10491	1.0
123.08038	2.4
125.05989	13.4
125.08706	1.9
125.09625	35.1
126.09934	0.9
127.03923	1.3
131.08557	9.9
139.11171	17.1
143.06993	1.0
149.09616	15.9
167.10666	35.7
168.11011	1.9
185.04259	2.0
185.11720	76.3
186.12114	3.9
202.16809	1.0
203.12772	100.0
204.13156	3.9
220.11916	1.0
220.17703	1.0
382.11566	3.2
382.22888	0.8
382.28131	2.3
383.09317	44.0
383.12866	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	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67286	2.1
55.05514	2.2
59.04969	2.7
67.05494	4.6
69.03429	5.4
69.07064	4.0
69.61772	7.8
71.04991	18.3
74.11133	1.9
79.05484	9.0
81.07054	20.9
83.04975	2.5
83.08604	4.1
85.02914	12.3
91.05491	4.2
93.07033	13.8
95.04964	6.2
95.08599	6.6
97.02913	2.6
97.06523	8.8
98.22713	1.9
99.08060	2.9
105.07018	5.4
107.08591	73.6
108.08922	3.0
109.06530	4.6
111.04447	8.5
117.09182	2.9
121.10149	47.1
121.19590	2.1
122.06017	2.5
123.08077	3.7
123.11696	10.7
124.60406	2.0
125.05998	5.3
125.09652	15.7
127.03933	3.2
137.09612	15.2
139.11168	21.7
140.07077	2.2
149.09599	18.2
153.09122	10.4
155.10672	2.4
167.10674	69.5
168.10982	3.0
171.10158	11.1
185.04109	3.2
185.11728	100.0
186.12006	3.0
203.12779	18.1
329.16043	4.0
382.11841	37.3
382.16290	2.7
383.13077	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	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76852	1.2
55.01868	1.8
55.05509	1.8
57.03443	1.8
59.05000	2.0
67.05505	4.7
69.03428	3.4
69.07060	3.0
71.04618	2.4
71.04987	15.1
79.05497	10.4
81.03412	1.8
81.07063	15.4
83.04992	4.1
83.08613	2.6
85.02908	7.7
85.06548	1.4
91.05477	5.6
93.07044	11.5
95.04971	4.0
95.08620	6.0
97.02894	4.1
97.06522	5.6
99.04434	2.1
99.08117	2.6
105.07036	6.2
107.08595	73.9
109.02845	1.9
109.06519	4.1
109.10157	5.7
111.04438	6.9
117.09132	4.0
121.09277	2.6
121.10143	45.9
121.10993	2.7
122.06100	1.9
123.08075	3.1
123.11728	12.1
125.06007	4.6
125.09622	15.2
127.03909	3.2
127.07642	1.3
129.05397	1.3
131.08540	2.0
135.08040	2.0
137.09584	7.7
139.11182	15.9
140.07054	2.4
145.04935	2.6
149.09630	17.4
153.09071	6.8
154.22839	1.3
155.10675	1.7
167.10675	60.4
171.10159	6.8
185.04269	2.1
185.11739	100.0
186.12096	5.7
203.12712	12.5
223.87982	1.7
242.08163	1.6
294.79156	1.6
308.40012	1.5
329.15906	2.1
358.87006	1.5
382.11813	41.6
383.13080	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	382.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77191	2.5
55.05510	6.0
67.05492	7.1
69.07065	4.8
71.08634	21.1
80.94837	4.1
81.07037	4.6
86.01657	3.4
95.08618	7.0
99.08077	19.1
123.04426	55.8
124.04769	3.7
139.03918	13.9
149.05946	18.6
150.37556	3.1
163.03809	3.5
163.07542	9.0
170.13898	3.0
175.07506	7.3
189.09128	6.9
203.10559	3.4
219.99203	3.1
287.20032	5.4
305.21127	5.3
323.22159	50.6
347.22177	100.0
348.22473	9.6
365.23257	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	382.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73067	1.2
55.05532	6.5
67.05499	4.4
69.07047	4.6
70.33617	2.6
71.08624	7.2
79.05487	2.5
81.07048	3.8
83.08622	4.2
91.05460	1.6
91.31286	1.2
93.07018	1.7
95.04932	1.9
95.08617	4.1
97.10134	1.4
99.08104	2.2
107.08609	1.8
109.10179	1.4
123.04427	7.1
126.03109	2.7
137.05940	2.6
139.03891	5.2
141.05466	9.3
153.01781	1.8
153.05447	2.2
155.03377	4.0
160.08784	1.2
163.03867	2.3
167.03368	1.9
169.04962	29.6
175.07642	1.7
177.09132	1.5
189.09114	1.6
203.10693	1.4
207.10199	2.2
217.12076	1.2
235.13245	2.6
289.17706	1.5
319.19006	2.8
323.21991	8.5
333.20569	3.6
351.21640	100.0
352.21942	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	382.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.4
55.09328	4.2
57.07070	5.7
59.05008	6.2
63.21443	4.1
67.05495	24.8
69.07074	14.1
69.40194	10.5
69.40598	12.9
79.05518	8.1
80.94821	7.6
81.07055	27.7
83.08630	9.0
91.05500	5.3
93.07050	8.8
94.50830	5.2
95.04970	14.5
95.08611	33.1
95.65685	5.2
98.23502	7.2
109.10178	11.8
109.38607	4.9
121.40501	5.6
123.04433	19.1
125.06020	4.7
126.03191	9.2
137.05959	4.9
139.03937	10.5
141.05490	24.3
147.04352	5.6
153.05431	8.9
161.05988	13.3
163.03893	9.7
163.07480	5.4
165.05463	4.9
167.03375	9.6
169.04967	100.0
175.07529	9.2
177.05486	6.1
179.07060	16.4
183.06595	5.5
185.09569	6.7
192.29303	4.9
193.08627	46.6
195.06586	6.6
203.07043	5.2
206.16678	5.4
209.08026	7.9
223.79677	4.8
273.18494	11.9
287.20251	5.7
290.34918	6.0
301.17850	7.4
305.21097	51.1
315.19626	26.3
333.20581	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	382.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74945	4.6
69.61600	17.7
71.83862	4.9
73.98672	5.5
95.04956	7.6
123.04471	24.3
141.05501	17.8
153.05528	6.0
165.77238	4.4
169.04958	100.0
185.95490	5.7
191.52560	5.4
264.01883	5.2
280.03442	5.3
337.23691	66.7
377.57578	5.4
382.20538	45.1
383.20569	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	382.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40302	0.6
55.05509	1.3
57.07070	1.2
68.66718	0.6
69.07060	2.4
69.38347	2.9
79.33431	0.6
81.07050	1.7
83.08608	2.4
91.05494	0.9
97.10162	1.4
109.06519	1.9
111.11729	0.6
121.06451	0.8
125.06010	1.8
137.05978	100.0
138.06322	3.0
147.08040	1.1
161.09601	1.3
165.12740	2.1
167.85838	0.6
179.07043	2.1
189.09192	0.6
199.36014	0.6
287.23734	1.0
291.23074	1.0
305.24747	50.8
306.25092	4.4
347.25775	2.7
383.20355	2.0
405.17484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98656	0.2
56.39832	0.2
56.49105	0.2
56.96281	0.4
56.96564	7.7
66.15455	0.2
69.44991	0.8
71.95256	0.5
77.69779	0.2
98.97578	100.0
99.97915	0.7
116.41324	0.2
116.98616	51.8
117.98979	0.4
128.10007	0.2
134.99652	16.1
140.00185	0.7
153.00684	1.4
158.01297	0.3
174.97652	0.5
176.00911	0.2
177.00896	0.5
181.97409	0.3
182.58005	0.2
192.01797	0.3
192.98740	0.4
195.43405	0.2
198.97682	0.3
216.98729	1.5
217.98929	0.5
219.01990	0.4
234.72859	0.2
234.99745	1.8
235.99902	0.5
236.99619	0.3
240.98615	4.9
241.00810	0.3
241.98883	0.4
256.96771	0.2
258.99750	68.5
259.99957	5.3
261.00497	0.3
261.03110	1.5
274.97620	0.4
275.97986	0.7
277.00797	72.8
278.00986	5.7
279.01077	0.5
282.01181	1.0
282.99884	2.4
284.00104	0.2
284.99753	0.5
295.01907	0.7
298.97815	0.2
299.97894	0.8
300.02390	1.4
300.97653	0.4
301.00864	2.3
302.01172	0.6
303.00879	0.6
316.98947	0.4
317.98828	1.3
318.98526	0.4
341.98917	0.7
342.98410	0.2
343.02106	0.7
359.00272	0.7
360.00040	1.5
360.99469	0.6
376.58301	0.2
382.99838	2.4
384.00021	0.5
401.01056	7.5
402.01416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01870	0.8
64.63059	0.4
67.05495	0.6
68.99793	1.4
69.03442	0.6
69.50676	1.4
77.03905	0.6
77.84856	0.4
78.04713	0.8
78.38474	0.4
79.05485	2.0
81.03414	0.6
91.05499	3.2
93.56176	0.4
93.79382	0.4
95.04971	2.5
97.02902	0.5
98.22713	0.9
99.54462	0.4
105.03349	0.4
105.04530	0.7
106.04169	2.9
107.04955	98.6
108.05294	3.1
111.04433	1.4
119.04163	0.7
119.04941	8.9
121.10122	0.6
123.04430	50.4
124.01561	1.8
124.04754	1.5
125.06042	0.7
127.03882	0.6
130.09555	0.4
134.03642	8.9
135.04433	6.0
139.03908	0.5
141.05460	6.6
152.01028	3.8
163.03874	3.3
164.83057	0.4
166.02609	1.0
167.03395	100.0
168.03767	2.6
170.02129	1.5
171.48413	0.4
181.05013	0.5
185.04477	1.0
209.04407	2.1
213.05324	0.5
226.06230	1.3
229.08597	38.5
230.08864	2.9
242.05760	3.3
242.99548	0.6
257.08081	58.1
258.08469	3.2
269.04471	3.9
270.05222	4.8
285.07550	17.0
286.07828	1.8
303.08597	7.8
365.02853	0.5
383.04306	12.6
384.04636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	9.1
67.05508	1.9
71.44598	1.1
79.05488	1.6
81.07069	1.6
85.02896	2.3
93.07068	2.1
114.09129	1.1
136.06206	3.5
137.06566	1.3
185.04204	4.3
221.04247	2.9
221.12143	1.3
225.51230	1.2
253.41779	1.5
263.02206	1.4
267.69409	1.3
293.06204	2.2
364.26474	2.1
382.27844	5.5
383.09213	100.0
383.13412	16.3
383.28378	3.2
384.09677	6.1
384.13986	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.095
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
63.62737	0.6
70.03065	0.5
70.35707	0.7
70.36026	0.8
71.64212	0.5
75.45982	0.5
90.05546	1.4
102.59248	0.5
106.41599	0.5
129.19821	0.5
154.23463	0.6
185.04225	10.3
203.10887	0.6
220.11774	1.7
221.04202	8.4
221.12154	0.9
265.09262	0.6
294.72397	0.6
383.09430	100.0
384.09763	6.7
384.14166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0949
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
70.69102	0.8
74.11341	0.6
80.09605	0.6
89.86499	0.6
90.05528	1.1
92.22748	0.6
98.76182	0.5
162.56264	0.6
185.04205	12.4
220.11795	1.5
221.04218	10.4
221.12109	1.6
233.76132	0.6
251.55939	0.6
383.09451	100.0
384.09760	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	383.0949
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
50.49321	0.4
51.81611	0.4
55.74739	0.4
70.64970	0.4
83.04995	0.5
85.02914	0.5
93.07057	0.5
107.08620	0.7
113.06001	0.5
121.10187	0.5
125.09636	0.6
129.49059	0.4
134.82938	0.4
150.56932	0.4
167.10728	0.7
168.11055	0.4
185.04230	4.2
185.11757	1.9
203.12819	1.3
204.13187	0.7
221.04187	1.4
334.42404	0.4
368.65393	0.5
383.09433	100.0
384.09680	6.2
384.14093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78658	0.7
60.04528	1.1
69.03422	0.8
71.44710	0.8
79.05492	0.7
85.02924	0.7
94.48835	0.8
95.04991	1.2
111.23775	0.6
123.67857	0.9
136.06195	1.5
139.07544	1.2
144.22224	0.8
168.33994	0.6
185.04210	29.4
185.08029	1.2
186.04480	1.0
186.08426	1.2
220.11981	1.2
221.04195	14.1
279.08658	1.0
306.36496	0.7
348.94281	0.7
356.98929	0.7
383.09219	44.3
383.13113	100.0
384.09131	3.3
384.14102	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00322	0.5
53.44019	0.5
60.04505	0.6
67.05482	0.6
69.10358	2.3
69.10777	1.5
82.51266	0.6
93.07003	0.6
136.06151	2.4
137.06593	0.7
139.54778	0.5
183.05127	0.5
185.04205	23.8
186.04601	0.7
220.11911	1.2
221.04213	11.6
221.07791	1.4
221.12154	2.3
248.37222	0.6
261.07590	0.9
279.08624	1.3
302.16309	0.5
305.25134	0.6
382.27805	0.6
383.09180	30.5
383.13086	100.0
384.09552	2.1
384.13812	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	383.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89061	0.3
61.53799	0.4
68.58625	0.3
69.84125	0.7
69.84486	0.7
74.05314	0.4
86.62385	0.4
98.23363	0.4
116.07104	0.3
118.64554	0.5
185.04268	1.1
198.53986	0.4
199.97221	0.4
221.04253	0.6
221.07915	0.7
231.09502	0.4
356.26733	0.4
383.13174	100.0
384.08862	0.5
384.13504	7.7
385.30197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
57.03437	4.3
61.02925	4.0
69.03430	11.3
70.98737	1.6
71.04996	2.1
73.02909	1.9
74.02454	2.0
81.03413	8.1
81.49483	1.3
83.04980	4.1
83.69495	1.4
85.02902	30.6
91.03951	1.4
94.06566	2.7
97.02901	8.4
98.97591	5.5
99.04467	2.7
103.03919	2.8
106.06544	1.4
109.02870	5.5
113.06012	5.2
116.98615	4.2
118.06555	5.2
127.03926	5.4
130.06531	63.7
131.06956	2.9
132.04454	19.2
132.08101	5.1
137.09622	5.2
144.04445	1.4
144.06941	2.7
144.08073	24.7
145.05061	2.0
145.07607	22.2
146.06001	12.5
148.07613	4.1
154.03584	1.7
154.06512	6.0
156.06874	2.3
156.08084	4.0
157.07613	55.4
158.06027	50.8
158.08072	3.2
159.09177	10.4
160.07547	3.4
166.06427	1.4
167.10655	2.9
169.07549	8.1
170.06027	2.2
171.09116	6.5
172.07558	11.3
174.05551	5.1
175.08672	54.8
175.10219	2.6
176.07057	2.9
176.09042	1.9
181.07599	4.0
182.06062	2.2
182.08418	2.1
183.09178	13.9
184.07539	2.1
185.07086	12.6
185.11760	2.5
186.05479	2.9
186.07820	3.3
187.08704	3.2
188.07091	2.8
190.35265	1.5
196.07658	2.9
197.07126	1.5
198.05504	2.0
199.08658	13.3
200.07100	17.4
203.08153	100.0
204.06555	5.2
204.08470	5.8
207.09093	2.3
209.07065	6.0
213.06516	1.6
215.08171	4.1
216.08955	3.4
217.09732	26.7
218.09990	1.9
221.09216	58.7
221.12656	2.9
222.02446	4.1
222.09492	2.3
227.08173	11.8
228.06544	3.1
228.08617	1.6
231.07637	6.7
245.09215	26.4
257.09332	1.7
258.99789	3.7
263.10269	55.2
264.10587	3.2
269.09204	1.9
275.10254	2.5
277.00867	4.0
287.10440	1.8
299.10312	6.7
311.10321	2.8
329.11243	4.0
347.12360	14.0
348.10767	11.0
365.13443	39.3
366.13846	4.5
383.08475	4.0
383.14291	43.9
384.14636	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91335	0.6
67.05495	0.7
69.03436	1.0
69.07089	0.7
69.14508	1.4
69.14928	1.9
81.03394	0.6
81.07053	1.4
81.87291	0.6
83.05022	0.5
85.02899	1.3
91.05459	0.7
93.07035	0.8
95.08614	1.6
97.02937	0.6
97.06529	0.5
98.23517	1.0
105.07043	1.5
107.08559	0.6
109.10151	0.9
119.08566	0.9
121.10152	0.9
133.10124	1.0
145.10054	0.5
146.63100	0.6
147.11684	0.8
157.10101	0.7
185.04219	2.2
203.14301	1.0
203.17981	1.2
221.11491	17.7
221.15227	4.8
222.11755	0.6
284.97797	0.5
382.73422	0.6
383.16763	100.0
384.17111	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	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
54.66656	2.5
54.83846	2.3
55.01859	16.3
55.05508	21.2
56.46850	2.4
57.03426	6.4
57.07066	5.8
59.04991	3.4
61.02917	6.4
65.03950	3.4
67.05509	20.3
67.99104	2.5
68.99783	9.2
69.03063	4.8
69.03428	90.4
69.07063	15.8
69.44241	6.5
69.44638	4.8
71.01355	2.8
71.04985	41.9
73.02924	3.9
78.12412	2.3
79.05488	27.8
80.05762	3.0
81.03416	100.0
81.07051	54.1
83.04990	13.6
85.02905	39.5
87.00831	23.1
87.04466	4.0
87.16570	2.4
91.05475	43.1
93.07040	53.4
95.01337	7.1
95.04966	23.0
95.08604	22.7
97.02892	37.2
97.06535	4.9
99.04475	8.8
99.08082	22.1
103.03963	5.3
103.05495	5.3
105.01867	6.5
105.04506	5.0
105.07030	65.2
105.25981	2.3
107.04945	13.8
107.08591	54.7
109.02888	8.9
109.06521	25.2
109.10162	26.9
111.04436	9.9
111.08059	5.1
115.03921	7.2
115.05415	2.9
117.01864	3.2
117.07025	20.9
119.04945	13.7
119.06055	2.5
119.08570	39.1
121.06509	28.2
121.10137	27.2
123.04442	14.0
123.08073	20.4
123.11729	11.2
125.05994	3.3
127.03925	10.6
127.07558	31.6
128.06242	8.5
129.01855	8.9
129.07011	9.3
129.80719	2.4
130.07787	8.3
131.08542	26.3
131.09460	2.8
133.06479	13.9
133.10123	22.8
135.04454	2.9
135.08057	16.1
135.11690	22.4
137.05946	11.7
137.09602	6.6
137.13251	5.2
140.40300	2.5
141.05470	2.9
141.06972	2.4
142.07767	4.1
143.08553	19.5
144.09311	3.6
145.06476	7.4
145.10114	44.6
145.11195	3.2
147.02905	3.9
147.08043	22.1
147.11667	19.9
149.05997	5.7
149.09612	10.2
149.13293	5.3
151.07545	8.8
151.11166	20.9
153.07028	3.3
153.12691	4.5
155.08563	13.2
157.06479	6.1
157.10121	8.0
158.07278	5.1
159.02890	10.9
159.08051	11.7
159.11673	11.9
161.06024	10.7
161.09642	7.1
161.13263	6.3
163.07512	6.3
163.11200	15.9
165.12752	28.0
167.07143	4.7
167.08492	3.2
171.08026	16.6
171.11678	5.5
173.09605	47.6
173.13300	5.8
175.07558	23.8
175.11157	12.3
176.81769	2.6
177.09177	3.1
177.12741	17.4
179.14342	3.9
183.08121	4.0
183.11656	2.9
187.11234	5.8
189.09105	14.4
189.12755	11.2
189.47005	2.6
191.10716	26.0
191.12463	3.4
193.12279	6.9
197.13275	4.5
201.03900	12.7
201.09138	8.0
201.12772	7.9
201.88985	2.3
203.06976	4.0
203.14330	2.5
205.12286	6.8
207.13838	5.6
209.11688	6.4
215.14325	8.1
219.13853	9.2
221.15427	4.0
225.12782	7.4
231.04967	3.7
231.13792	2.6
233.15390	4.8
243.13785	29.6
253.43689	2.8
261.14847	42.7
279.16058	14.8
334.35620	2.7
339.17886	2.5
347.14893	20.7
365.15762	20.0
383.16818	91.2
384.17206	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01868	8.1
55.02093	1.4
55.05510	5.7
57.03433	5.1
59.45625	1.0
61.02922	3.5
65.03938	2.3
67.05503	9.8
68.99777	4.4
69.03064	2.3
69.03426	36.9
69.07053	4.9
69.85054	3.3
71.01366	2.6
71.04999	6.7
73.02901	2.9
75.86620	1.1
77.03911	2.1
79.05494	21.9
81.03413	18.2
81.07056	39.6
83.04976	8.1
83.08591	1.4
85.02401	1.9
85.02903	31.3
87.00822	14.1
87.04448	1.2
91.04942	2.2
91.05480	27.0
91.06052	1.7
93.07040	94.7
94.07368	2.9
95.01368	1.3
95.04970	13.2
95.08607	28.8
96.08944	1.2
97.02892	21.9
97.06506	5.7
99.04462	5.0
100.11275	1.8
103.03938	2.8
103.05396	1.1
105.01842	3.8
105.04507	3.9
105.07025	51.7
107.04944	6.1
107.08591	100.0
108.08901	2.7
109.02849	3.7
109.06528	8.1
109.10164	8.0
111.04430	12.8
111.08088	1.8
115.03889	5.2
115.05461	1.3
117.01874	1.3
117.07018	7.2
119.04906	2.4
119.06039	1.6
119.08577	20.7
120.08928	1.4
120.51189	1.0
121.06493	9.4
121.10144	13.5
123.04452	5.6
123.08052	9.9
123.11683	5.5
125.02342	1.1
125.05972	3.2
127.03918	10.1
128.06209	2.2
129.01794	2.0
129.05475	2.3
129.07024	5.4
129.55310	1.2
130.07785	2.3
131.08577	12.1
133.06497	4.5
133.10118	18.5
133.96368	1.0
135.04442	2.1
135.08063	5.6
135.11690	48.6
136.12032	1.6
137.05962	4.7
137.09587	1.5
137.13263	4.1
139.07536	1.8
141.06982	1.3
142.07794	2.7
143.08557	8.4
145.04962	2.3
145.06473	2.7
145.10109	17.7
147.08066	6.0
147.09042	1.1
147.11681	28.7
149.05972	3.4
149.09598	3.5
149.13266	7.8
151.07533	3.1
151.11159	3.3
153.05493	2.8
155.08545	6.5
157.10143	8.8
159.02908	3.0
159.08089	5.3
159.11685	13.5
161.05957	1.5
161.09598	4.6
161.13251	4.6
163.07549	3.5
163.11182	29.5
163.14859	1.6
164.11572	1.3
165.12752	38.6
166.13089	2.3
167.07063	2.3
167.08485	1.6
169.10117	1.8
171.02873	2.1
171.11685	4.5
173.09531	5.4
173.13269	2.8
175.07486	1.6
175.11183	7.5
177.12738	7.2
179.10593	1.6
183.07999	1.8
183.11684	1.8
185.09630	2.1
185.13058	1.7
187.07651	1.7
187.11162	3.2
187.14763	1.3
189.03929	4.3
189.12747	8.2
191.10559	1.9
191.14307	1.9
193.12227	11.3
195.13879	1.3
197.09651	1.3
197.13232	4.5
199.11234	2.9
201.03966	5.1
201.09154	2.3
201.12701	5.2
203.10704	3.5
203.18013	8.9
205.12202	4.3
207.11900	1.5
207.13785	3.7
213.12787	2.5
215.14302	7.3
217.12328	1.4
219.13802	6.3
221.11690	1.7
221.19122	1.5
223.13280	2.6
225.12733	4.5
231.04996	1.8
231.13799	3.3
233.15366	4.4
237.14891	2.6
243.13799	30.8
244.14204	2.3
261.14859	78.7
262.15100	6.7
271.08264	1.5
279.15894	9.1
297.16861	2.1
321.16971	5.8
347.14850	23.6
347.21790	1.6
365.15967	32.1
366.16156	3.2
383.16949	26.5
383.24393	2.5
384.17191	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.05280	0.3
55.05508	2.2
61.02910	0.3
69.03414	1.0
69.17220	1.4
77.03915	0.3
79.05482	1.6
81.07056	1.6
83.01310	0.7
83.04973	0.8
85.02914	1.4
91.05479	1.1
101.60059	0.2
107.04933	0.8
108.89412	0.2
109.06534	1.4
109.41631	0.2
119.04871	0.3
122.03635	0.5
135.05548	0.3
137.05994	0.7
151.07513	0.7
155.07024	9.6
165.05469	100.0
166.05789	3.5
187.45551	0.2
188.08344	0.3
203.07071	0.3
203.10599	0.5
203.18048	0.3
207.06578	0.4
221.11719	62.1
222.12080	3.6
383.16980	47.9
384.17294	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	383.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.6
55.01869	3.8
55.05504	2.4
57.03439	19.6
59.04992	4.7
61.02929	7.0
67.05513	4.5
69.03430	81.0
69.07080	1.7
70.99105	1.7
71.04985	3.9
73.02920	4.0
75.04506	1.4
78.06512	1.8
81.03423	13.0
81.07064	10.3
83.04975	2.5
85.02904	100.0
86.03261	2.4
87.00847	2.6
87.04466	46.9
91.03964	2.7
91.05491	3.9
93.07033	4.9
95.04996	3.1
97.02889	66.5
98.03232	2.2
99.04468	5.0
102.33804	1.6
103.03970	3.6
105.07042	4.7
107.04951	38.6
107.08615	2.0
109.02888	5.1
111.04517	1.9
111.51476	1.8
115.03116	3.3
115.03934	69.4
119.04959	5.6
119.08624	3.5
121.06547	1.9
121.10191	3.8
123.04445	14.5
123.11700	13.8
127.03915	18.0
133.04968	88.5
134.05305	1.9
135.04445	3.6
141.05440	1.9
141.12740	12.5
145.04959	35.8
145.10159	2.1
146.06094	3.2
147.04402	8.4
163.06046	14.6
165.12891	1.6
167.03398	38.6
169.05109	2.5
173.09587	3.8
187.13310	6.4
223.05994	2.2
229.08656	13.5
241.07059	2.0
243.13774	2.3
245.06320	5.0
257.08090	18.5
258.08453	2.0
259.08090	3.0
261.14835	2.3
277.09131	2.2
285.07501	8.9
303.08646	2.6
383.04184	5.0
383.16702	6.2
388.63040	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08161	0.9
67.05517	6.6
69.89560	1.0
79.05500	4.9
80.05003	1.5
80.75616	1.1
81.07054	4.7
83.20792	1.1
86.88603	1.0
91.05481	3.2
92.30706	0.9
93.07049	3.9
94.06573	1.6
95.08611	4.1
96.08098	1.2
105.03427	2.0
105.48257	1.0
107.08610	4.9
108.08118	2.8
109.10164	4.6
110.09704	1.4
118.06580	1.9
121.10162	1.2
122.09692	1.6
124.11185	1.4
130.06528	4.1
132.04480	1.0
132.08049	1.6
133.10234	1.1
135.11650	1.2
144.08110	1.6
146.06015	6.1
146.82361	1.0
149.13239	2.3
153.10254	8.7
158.06035	2.7
173.11691	1.3
179.14253	1.1
180.17570	3.3
188.07077	3.1
211.08653	2.2
241.13327	14.5
257.57654	1.1
271.10944	1.8
283.10901	2.6
311.21387	1.0
313.15448	38.9
314.15744	3.0
365.19171	1.9
383.23334	100.0
384.23636	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
55.27868	0.6
68.04648	0.6
68.05000	0.7
69.03452	0.8
69.07050	1.0
70.02064	1.9
79.05509	2.2
80.05022	4.4
81.07049	1.8
82.06567	0.7
83.08616	0.6
86.06059	1.8
88.03994	0.9
91.05466	1.7
93.07063	3.2
95.08598	2.0
95.53552	0.6
98.06057	8.4
98.22792	1.0
102.05549	0.9
103.05470	0.8
107.08585	2.6
108.08109	2.6
110.09687	2.1
114.05551	5.2
115.05465	1.7
116.07093	2.0
117.07025	1.9
118.06548	26.0
119.06873	0.7
119.08566	0.7
122.09669	1.6
130.06532	15.0
131.06917	0.9
132.08073	0.8
133.10159	0.9
135.11673	2.6
135.96141	0.7
138.05522	2.4
142.06520	2.5
143.07304	2.0
144.04428	1.1
144.08101	19.8
145.08415	0.8
146.06007	80.3
147.06366	3.1
150.12790	4.1
152.14348	64.2
153.14690	2.3
156.08080	1.1
160.07617	1.2
164.14362	1.5
165.07874	1.1
170.06038	4.9
178.16010	1.4
184.11209	1.8
188.07071	54.4
189.07420	2.2
196.16971	31.1
197.17216	1.4
208.13310	2.7
210.14931	9.1
221.10756	1.6
254.17543	15.6
267.11337	5.9
277.01016	0.7
339.20670	24.1
340.20963	1.7
346.72470	0.7
383.23309	100.0
384.23660	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	383.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.1
56.05018	1.0
66.45496	0.7
67.05484	1.7
68.05008	0.8
69.03416	0.8
69.07053	1.4
69.21339	3.6
72.56119	0.5
76.28094	0.6
79.05476	2.3
80.05022	1.6
81.07053	3.1
82.06559	0.7
83.08616	0.6
84.08087	0.7
84.46203	0.6
85.02888	0.9
86.06051	2.5
88.04015	0.7
91.05459	2.2
93.07039	5.2
94.06589	1.0
95.08594	1.8
95.46889	0.6
96.08111	1.2
97.02850	0.9
97.06508	0.7
98.06036	0.9
98.09715	0.7
102.05566	0.7
105.07015	1.0
107.08561	2.2
108.08109	2.4
109.08863	0.7
109.10123	1.0
110.09683	3.3
114.05533	8.0
115.05419	1.1
116.07117	3.4
117.07005	1.9
118.06541	25.4
119.08557	1.1
121.10141	1.9
122.09630	1.6
123.10437	0.7
123.11683	0.8
124.11197	1.0
124.28141	0.6
125.05962	0.7
130.06516	12.4
131.08447	0.7
135.11658	3.3
136.35681	0.6
138.05528	2.2
142.06529	2.3
143.07312	2.1
144.04517	0.9
144.08081	19.1
146.06009	75.0
147.06300	2.8
147.11676	0.8
150.12767	3.0
152.14343	84.4
153.14682	3.4
154.15897	1.3
156.08035	0.8
156.10211	1.0
164.14357	1.6
165.07828	1.2
168.08257	0.7
169.07669	1.1
170.06035	6.0
174.05469	0.7
178.15965	1.1
184.11287	1.4
188.07071	59.1
189.07397	2.2
196.16969	50.1
197.17255	2.5
208.13283	3.7
210.14896	11.2
215.08173	1.5
229.07449	1.0
247.08687	1.2
248.87193	0.6
252.15938	0.9
254.14870	1.1
254.17522	19.0
255.17822	1.1
267.11380	0.8
339.20676	36.2
340.21024	1.9
351.08859	1.1
365.22223	0.8
383.14862	29.3
383.23288	100.0
384.15442	3.2
384.23560	9.3
384.27814	0.8
405.34634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77058	0.2
55.05503	1.3
56.05024	0.8
57.03405	0.2
57.07085	0.3
60.04512	0.3
62.93375	0.2
67.05495	0.8
68.05029	0.9
69.07072	1.0
69.29271	0.9
70.06596	0.3
71.04990	0.3
74.02438	0.3
75.29839	0.2
79.05485	1.2
80.05018	4.6
81.07053	1.9
82.06590	0.9
83.04961	0.2
83.08630	0.3
84.08141	0.4
86.02431	0.2
86.06058	1.0
88.03996	1.3
88.07600	0.2
89.03898	0.2
89.74666	0.2
91.05467	1.6
93.07043	3.3
93.16303	0.2
94.06581	0.7
95.07327	0.3
95.08598	1.2
96.08142	1.4
97.10159	0.6
98.06049	8.6
98.09705	0.3
98.23470	0.2
99.06403	0.2
102.05537	0.6
103.05413	0.2
105.07016	0.7
106.06540	0.3
107.08582	2.1
108.08099	2.0
109.06512	0.3
109.08886	0.6
109.10173	0.5
110.09670	2.8
114.05521	3.9
115.05437	1.0
116.07090	1.3
117.05740	0.2
117.07008	1.9
118.06540	29.6
119.06870	1.0
119.08570	0.6
121.08881	0.3
121.10143	0.9
122.09665	1.8
123.10448	0.9
123.11676	0.5
124.11224	1.2
126.12772	0.4
130.06522	11.5
131.06937	0.5
131.29871	0.2
132.08119	0.5
133.10127	0.6
135.11682	2.6
136.11201	0.5
137.11960	0.3
137.13239	0.2
138.05501	2.0
138.12766	0.3
139.07512	0.3
140.07047	0.6
142.06511	2.5
143.07300	2.5
144.04449	0.7
144.08084	20.8
145.08434	0.6
146.06001	84.6
147.06355	2.8
149.12042	0.2
149.13260	0.2
150.12773	4.1
150.13927	0.3
152.14337	77.4
153.14676	3.0
154.06516	0.4
154.15883	0.3
155.06023	0.8
156.06575	0.3
156.08086	0.9
156.10107	0.2
160.07520	1.0
161.13220	0.4
164.14316	1.3
165.07857	1.6
166.08623	0.3
166.15884	0.4
168.08054	0.4
169.07608	0.4
169.08858	0.3
170.06010	5.7
170.09576	0.2
171.06390	0.2
178.15887	2.6
181.12291	0.2
181.40720	0.2
184.11227	2.1
184.13214	0.4
188.07060	61.7
189.07407	2.7
190.15842	0.3
192.13789	0.3
196.16963	36.1
197.17317	1.7
203.18089	0.2
208.13312	3.1
210.14870	8.7
211.15198	0.5
214.08589	0.6
215.08163	0.9
221.10872	0.6
222.18507	0.6
223.12401	0.4
236.16432	0.4
241.09665	0.4
254.17505	11.7
255.17792	0.5
267.11246	2.1
269.12817	0.5
285.12411	0.3
289.90286	0.2
295.21646	0.3
339.20657	31.0
340.20959	2.6
383.23276	100.0
384.23611	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	383.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.05057	1.1
79.05505	1.4
80.05019	0.8
81.07047	2.0
82.06586	1.5
85.02926	0.9
88.03988	0.9
91.05480	1.1
93.07049	2.8
95.08607	1.2
96.08125	1.0
97.06577	0.8
98.06072	1.4
98.22713	1.9
100.86182	0.7
107.08577	1.9
108.08112	2.0
110.09684	3.3
114.05535	3.3
115.05436	1.2
116.07098	1.1
117.07030	2.2
118.06541	25.7
121.10157	1.2
121.34677	0.8
122.09658	1.5
123.10470	0.7
123.11671	0.8
130.06531	7.5
135.11719	1.6
142.06485	2.6
143.07327	1.8
144.04462	0.9
144.08075	18.1
144.09149	1.2
146.06006	71.6
147.06345	2.6
150.12791	4.2
152.14342	81.1
153.14684	2.3
154.15910	1.9
164.14371	1.1
169.07635	1.4
170.06015	6.8
178.16031	1.3
184.11252	1.5
188.07065	53.2
189.07458	2.6
196.16971	47.1
197.17287	3.1
208.13350	2.5
210.14880	9.1
254.17519	8.6
267.11160	1.1
274.59207	0.9
339.20645	37.7
340.21021	2.7
383.23282	100.0
384.23627	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	383.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04001	0.4
55.05510	1.0
57.07050	0.6
67.05492	1.5
68.05009	1.5
69.07065	1.0
70.06576	0.7
75.13998	0.5
79.05476	1.6
80.05012	1.6
81.07039	2.1
82.06577	0.9
84.08141	0.6
84.21056	0.5
86.06049	1.4
86.13216	0.5
88.03959	0.9
91.05485	1.7
93.07048	2.9
95.08580	1.5
96.08128	1.1
97.10139	0.6
98.06052	1.0
102.00249	0.5
102.32734	0.5
107.08575	2.2
108.08123	1.9
109.08878	1.3
109.10156	1.5
110.09672	2.9
114.05514	3.7
115.05402	1.0
116.07071	2.0
117.06996	1.9
118.06535	30.7
119.06895	1.2
119.08553	0.6
121.10111	0.9
122.09652	1.1
123.10381	0.8
123.11733	0.9
124.11221	1.1
130.06522	9.4
132.08041	1.0
135.11703	1.4
138.05496	1.2
142.06566	2.8
143.07285	2.3
144.04420	1.0
144.08083	21.1
146.06001	84.0
147.06348	2.8
149.13268	0.7
150.12801	2.1
152.14337	95.6
153.14690	2.4
160.07584	1.0
164.14339	0.6
165.07855	0.7
170.06030	6.3
174.24530	0.5
178.15903	1.2
184.11226	2.3
188.07057	59.0
188.59488	0.5
189.07376	2.4
191.78754	0.5
196.16960	57.9
197.17308	2.2
208.13322	1.4
210.14900	7.0
215.08022	0.6
222.18472	0.8
226.66808	0.5
254.17493	10.4
268.83508	0.5
337.22736	0.9
339.20633	26.7
340.20959	2.2
365.22525	0.8
383.23288	100.0
384.23645	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
56.05046	1.1
60.55427	0.8
63.15921	0.8
67.05500	3.9
69.07078	2.5
69.24736	4.6
70.06609	1.1
71.04984	1.1
72.08157	26.8
79.05503	2.5
80.05019	1.7
81.07049	5.1
82.06570	1.8
83.08593	1.8
88.03980	2.2
91.05498	2.3
93.07063	3.9
94.06528	1.0
95.04984	1.4
95.08601	2.7
96.08158	1.4
97.10182	1.4
98.06050	1.8
100.11286	1.3
105.07023	2.2
107.08630	3.9
108.08133	2.5
109.06493	1.0
109.10176	3.3
110.06042	4.7
110.09692	2.4
111.04400	1.0
111.08025	1.0
114.05527	4.9
116.07137	1.6
117.05798	0.8
117.07024	3.1
118.06544	26.8
119.08557	1.7
121.10160	2.1
122.09624	1.2
123.11731	1.2
130.06525	11.5
133.10121	1.3
135.11688	1.9
138.05510	1.0
140.57913	0.9
142.06535	2.0
143.07347	2.8
144.04402	1.1
144.08084	20.6
145.10146	1.4
146.06004	79.8
147.06364	1.9
150.12798	2.5
152.07089	1.6
152.14342	68.5
153.14688	2.5
160.07588	1.5
161.13222	2.0
170.05997	4.8
178.15936	2.8
184.11252	3.0
188.07066	61.5
189.07463	2.4
196.16971	36.1
197.17340	2.0
203.18048	2.7
208.13356	2.8
210.14862	6.2
250.21724	1.0
252.15971	1.1
254.17508	11.9
254.55475	1.0
278.21127	0.8
285.11566	1.1
306.20694	6.3
339.20639	20.7
339.24747	1.3
340.21039	1.6
365.19205	2.0
366.22812	10.7
383.23337	100.0
384.23770	9.1
406.52948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03933	4.9
53.41320	3.4
55.05503	14.0
57.07074	18.0
59.04997	10.8
66.11759	3.4
67.05498	43.8
69.03429	16.8
69.07061	10.0
69.61971	3.2
71.04994	9.3
71.08620	5.5
76.54486	3.3
79.05491	39.8
81.07059	42.9
83.04987	8.2
83.08627	5.7
85.06533	9.8
88.38636	3.8
91.05481	52.3
93.07042	96.3
95.04965	31.1
95.08595	46.4
97.06543	18.6
98.23469	11.3
98.97613	4.1
98.98489	4.0
105.04476	6.1
105.07025	100.0
107.04965	3.8
107.08586	42.3
109.06521	19.7
109.10146	24.2
111.04454	4.6
111.08093	13.1
117.07024	17.3
119.08579	58.6
121.06500	14.2
121.10144	39.4
123.08055	34.0
128.06187	5.4
129.07021	14.1
130.07761	6.0
131.08578	33.0
133.06490	10.1
133.10127	33.0
135.08031	19.9
135.11658	5.8
137.05891	4.7
137.09648	8.1
141.06963	6.5
142.07776	33.8
143.08560	21.3
144.09322	6.1
145.10133	32.8
146.07254	5.6
147.08057	22.5
147.11694	15.8
149.09631	19.5
151.07541	41.1
153.09081	4.3
155.01010	8.5
155.08521	7.2
156.09325	6.6
157.10095	47.4
159.08069	7.7
159.11684	13.2
161.09610	20.1
161.13232	6.4
163.11232	9.6
165.09088	33.5
169.10146	9.0
170.10901	7.9
171.11659	11.2
173.09674	6.6
173.13219	9.1
175.11201	17.7
175.14838	6.1
177.09048	9.0
177.75874	3.8
179.08556	4.3
181.10081	4.5
182.10925	6.0
183.11848	5.3
185.13232	16.0
187.14804	5.6
189.12779	10.2
197.13312	6.0
199.11224	3.7
201.12820	5.4
203.14308	21.9
207.11723	6.4
207.13713	8.2
209.15355	4.2
211.14894	5.2
219.13843	4.6
221.15344	54.3
231.13898	4.5
233.15237	6.5
234.16034	8.5
285.23987	5.6
286.19315	6.9
287.20053	5.5
299.19934	5.1
303.19751	4.6
352.22092	7.9
365.20596	4.5
365.24725	10.4
383.18228	6.9
383.25735	63.2
384.26257	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.05492	12.9
57.07077	72.4
59.04997	5.0
67.05511	26.8
69.03427	12.9
69.07061	6.3
69.19782	25.6
70.75867	3.9
71.04978	6.5
71.08626	31.3
79.05502	22.1
81.07058	26.9
83.08620	4.4
89.06027	65.5
91.05478	49.6
92.33769	4.6
93.07046	100.0
95.04968	27.6
95.08602	30.5
97.06535	9.2
103.05471	7.5
105.04493	8.0
105.07028	65.9
107.08593	34.5
109.06514	11.8
109.10149	14.5
111.08091	5.6
115.05479	7.0
116.06188	5.7
117.07023	9.6
119.08577	43.0
121.06504	95.2
121.10165	27.1
123.08054	13.3
128.06204	6.8
129.07024	5.5
131.08571	15.3
133.06480	6.3
133.07719	4.2
133.08621	24.5
133.10136	13.9
135.08038	15.4
137.09572	7.5
142.07761	17.3
143.08549	17.3
144.09406	6.8
145.10117	18.6
147.08037	21.0
147.11702	11.4
149.09633	12.6
151.07555	28.1
155.08461	5.4
156.09277	6.2
157.10182	24.5
158.10855	3.9
159.08009	4.4
159.11700	11.7
161.09618	14.1
163.11371	4.6
165.09109	77.3
171.11673	5.1
173.09619	8.3
173.13184	5.4
175.11179	13.6
175.14839	5.0
177.09090	7.0
177.11159	8.2
183.10184	4.5
185.13219	11.8
195.11720	4.4
203.14273	18.5
207.13773	6.8
209.11652	13.5
213.12711	5.0
215.14372	5.2
221.15402	41.4
225.12666	4.2
226.87468	4.5
231.13867	4.7
239.58981	3.9
271.15387	71.4
272.15582	4.0
276.91879	4.2
287.19974	10.2
303.19696	6.5
322.38263	4.4
365.24765	11.9
383.11514	27.0
383.20395	32.6
383.25677	51.7
384.11905	6.2
384.26083	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94078	1.0
53.03939	2.3
54.87820	1.1
55.05497	3.5
57.07075	66.2
59.05005	1.8
67.05497	6.0
69.03423	3.6
69.07065	2.2
69.26015	5.5
69.26674	1.0
71.04987	1.8
71.08629	37.1
75.46121	0.9
77.03938	3.9
77.42560	0.9
79.05494	7.8
81.07050	8.2
83.04945	1.2
83.08598	1.4
87.04445	3.2
89.06030	65.8
90.06361	1.4
91.05477	20.8
93.07042	44.9
95.04967	16.8
95.08604	8.7
97.06529	2.8
98.22652	1.4
103.05462	8.1
105.04549	5.1
105.07029	17.7
107.04910	2.1
107.07082	1.5
107.08604	10.3
109.03675	0.9
109.06506	5.9
109.10159	5.1
111.08043	2.8
113.13289	3.3
117.07006	3.3
118.07797	2.2
119.04928	3.6
119.08571	12.8
121.06503	100.0
121.10155	10.4
122.06805	2.8
122.10502	1.3
123.08068	6.2
128.06230	1.7
129.06998	2.3
130.07779	1.8
130.08615	1.2
131.08551	4.7
133.06490	2.2
133.07588	1.5
133.08597	25.5
133.10097	7.4
135.08054	7.1
135.11713	2.0
137.09589	2.8
139.65312	1.1
142.07794	4.4
143.08577	7.2
144.09254	1.2
145.10124	8.9
147.08018	11.9
147.11707	3.2
149.09613	6.7
149.13292	1.0
151.07541	8.6
155.08621	1.6
156.09340	1.6
157.10121	9.1
159.08032	1.8
159.11644	3.0
161.09683	4.9
161.13138	1.1
163.11174	3.2
165.09117	53.5
166.09373	1.6
169.10092	1.1
171.11688	2.4
173.09641	1.6
173.13185	1.5
175.11172	5.0
175.14809	2.6
177.11253	8.9
181.12372	1.3
183.10191	3.8
183.11688	3.1
185.13277	3.8
189.12695	2.1
199.11166	1.0
201.12711	1.9
203.14345	5.9
207.13818	3.8
209.11722	13.0
209.13480	1.4
215.14336	2.1
221.15366	15.8
222.15778	1.0
227.12747	3.3
233.15308	2.4
233.18962	5.0
234.16064	2.8
270.61249	1.2
271.15384	77.1
272.15692	4.1
277.21680	6.6
287.20099	2.3
299.19904	1.8
303.19724	1.2
327.14157	1.7
328.19702	1.1
334.78537	1.1
347.23727	1.4
365.24670	4.0
383.11090	3.8
383.20358	8.4
383.25754	22.2
384.26099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03943	1.9
57.07076	94.2
58.07405	2.0
58.82796	0.4
69.07087	0.5
69.32113	2.6
71.08633	1.1
74.32124	0.5
77.03915	4.6
87.04478	1.9
89.06029	68.8
90.06355	1.7
91.05473	13.0
92.05807	0.6
93.03444	0.5
93.07042	28.8
94.07381	1.0
95.04971	10.4
95.05537	0.9
98.22704	1.1
98.56265	0.5
103.05467	7.2
105.04516	4.2
105.06998	0.9
107.07046	0.8
107.08601	2.0
113.13280	2.1
117.07036	0.5
118.07806	3.1
119.04956	3.4
119.08595	3.6
121.06503	100.0
122.06831	2.6
130.08656	0.8
133.08600	31.1
134.08961	0.9
135.08034	1.5
135.11714	0.9
139.07515	0.5
147.08055	8.6
149.09605	1.5
150.06822	1.2
155.93529	0.5
159.11681	0.8
163.11163	1.2
165.09109	47.6
166.09450	2.3
177.11244	8.9
177.12738	0.9
183.10172	4.8
209.11719	15.2
210.12260	0.8
227.12794	2.8
233.19003	6.4
234.19328	0.5
243.82986	0.5
253.14095	0.5
271.15384	90.9
272.15741	6.3
277.21622	5.4
278.21964	0.6
326.38776	0.5
383.27884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01878	7.6
57.03428	7.3
57.07084	2.3
61.02937	5.8
63.04498	2.7
68.99811	3.8
69.03426	32.2
70.25239	3.4
71.04994	7.5
71.08636	1.5
73.02927	6.5
76.11354	1.2
77.79581	1.2
81.03416	22.9
85.02901	100.0
86.03249	1.6
87.00822	46.6
87.04494	2.7
91.03970	1.4
97.01946	1.8
97.02888	37.4
97.03467	2.0
98.97620	4.9
99.04444	14.0
101.62243	1.4
105.01863	77.2
109.02877	32.8
113.06019	2.8
116.98602	2.0
117.01887	3.6
119.10754	4.1
127.03912	72.6
128.04291	2.3
128.37634	1.3
129.01878	3.5
131.07079	1.8
139.03935	1.5
144.60835	1.2
145.04962	33.3
145.08591	12.5
147.02911	2.5
153.05522	3.3
158.67740	1.3
158.99698	1.6
159.02884	14.1
160.21857	1.6
161.11748	1.6
173.08185	2.5
177.00818	2.2
189.03935	3.0
205.10712	2.3
206.08357	1.4
213.03928	7.1
227.12857	1.6
231.04985	25.1
249.06088	8.7
385.12460	3.1
385.17996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34826	0.6
51.54789	0.7
53.48551	0.7
55.05488	1.2
59.04974	1.1
61.02916	1.9
67.05497	2.1
69.03422	2.7
69.07064	5.9
69.48369	1.6
69.48757	1.2
71.04988	12.1
78.66908	0.7
79.05492	4.5
80.45950	0.7
81.03409	1.0
81.07056	42.3
82.07405	0.9
83.04961	1.9
85.02904	9.4
89.06020	0.9
93.07034	1.4
95.08601	1.5
97.02893	1.8
97.06519	2.5
97.10197	1.2
98.23517	0.9
99.08091	1.6
107.08603	6.5
109.02886	1.7
109.06513	1.8
109.10153	10.1
111.08082	1.9
111.11710	5.3
121.10146	1.8
123.11713	14.4
127.03902	1.3
133.10091	1.5
136.48511	0.7
139.11200	7.7
141.12691	1.0
145.04980	1.3
151.11177	16.4
157.11067	1.3
157.12241	10.4
169.01346	0.6
169.12247	23.8
187.13293	100.0
188.13608	4.3
205.14371	6.5
209.15565	0.7
349.18549	3.9
365.16537	0.8
384.13248	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	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.2
69.03451	2.5
69.07082	8.8
71.04996	16.2
79.05489	6.5
81.07057	45.0
81.38274	1.5
85.02919	5.5
93.07082	1.7
95.08593	5.9
97.06528	5.2
99.08100	2.4
107.08604	9.4
109.10172	9.8
111.08088	2.0
111.11736	5.1
121.10172	1.8
123.11716	13.0
127.03980	2.0
133.10127	2.1
139.11208	7.4
139.53947	1.2
141.09091	4.1
151.11165	20.3
157.12238	12.7
159.10201	5.4
169.12233	22.3
187.09724	4.4
187.13290	100.0
188.13644	3.3
205.14359	9.8
349.18518	1.8
385.14828	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	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07113	0.9
53.03946	1.4
54.66254	0.9
55.05260	2.2
55.05511	30.9
59.04989	1.5
60.06899	0.9
61.02924	1.7
67.05505	3.5
69.03432	3.5
69.07059	3.5
70.59426	1.1
70.59755	1.6
71.04990	19.0
73.80022	1.0
75.30405	1.0
77.32701	1.0
79.05484	9.5
81.03400	1.3
81.07056	56.1
82.07387	1.3
83.04978	18.1
85.02890	11.5
85.06524	1.7
87.04449	1.3
91.05468	1.7
93.07024	2.0
95.04955	2.9
95.08620	2.0
97.02885	2.9
97.06519	9.5
98.97578	1.3
99.04447	1.1
99.08125	5.6
102.95834	1.1
105.07018	2.3
107.08583	13.3
109.02836	1.0
109.06520	2.0
109.10156	10.4
110.07176	1.8
111.08072	1.0
113.06013	3.3
114.26718	1.1
121.10158	2.2
123.08089	1.8
123.11707	16.5
124.03981	1.6
125.09634	1.3
127.03931	2.5
127.11242	5.1
131.07030	2.0
133.10114	3.2
136.06154	3.0
139.11169	1.8
141.12682	1.4
143.10710	2.0
151.07428	1.2
151.11180	54.3
151.12418	2.7
152.11513	1.6
169.12239	100.0
170.12567	3.7
185.04205	12.2
186.04553	9.4
187.09604	1.3
187.13300	2.5
221.04156	3.7
222.04547	6.6
222.07777	2.2
222.13512	4.8
238.05302	10.7
243.11319	1.1
263.08081	1.2
331.17435	2.4
346.63284	0.9
367.09387	1.9
384.09592	22.5
384.13474	48.1
385.10361	4.2
385.14664	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.07074	81.1
62.98252	4.6
67.05489	7.4
71.46190	2.9
72.04508	7.6
73.02913	100.0
79.05477	3.0
81.07058	6.8
81.26964	2.5
89.06015	7.3
93.07030	7.9
95.04967	3.2
95.08600	3.7
121.06493	27.5
133.08591	5.4
163.11272	2.5
165.09113	12.5
188.18225	2.4
226.46120	2.6
227.12781	40.8
255.12238	40.5
286.30853	3.5
384.25549	10.3
384.41913	6.8
385.29196	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	385.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39796	10.3
69.03426	9.7
71.43960	12.9
109.50361	9.7
119.36490	14.0
181.61165	10.2
204.89064	10.8
212.85187	25.5
217.14249	9.2
300.26840	9.9
385.08948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05260	1.5
60.08783	1.6
67.03348	1.7
71.44093	2.4
73.33235	1.7
89.87285	1.5
91.06601	1.9
92.51241	1.7
98.97515	1.8
109.10123	1.9
139.03871	5.2
175.34962	1.8
195.06903	3.5
203.05289	4.2
213.07910	2.5
223.13173	3.5
239.05801	2.3
299.07996	4.9
317.09174	2.1
323.08710	2.1
385.03937	3.1
385.08987	93.3
385.18307	100.0
386.09247	6.3
386.18704	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	385.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.2
56.96569	2.1
57.52174	1.1
60.47969	1.2
68.45013	1.1
69.03427	2.6
70.55121	1.5
81.03435	1.4
81.06990	1.3
82.99867	2.7
83.04980	4.4
83.05468	1.2
85.02911	4.6
97.02881	9.5
98.97572	7.4
101.00884	34.6
109.02877	3.5
113.00906	6.7
115.02460	2.6
116.98604	4.2
117.05469	2.0
119.01918	66.5
119.56194	1.1
119.89211	1.4
120.02020	4.9
120.17062	1.2
127.02440	2.3
127.03876	1.7
131.01913	18.3
133.02759	2.0
137.00891	1.7
137.02959	9.4
138.03084	1.8
139.02408	2.3
143.01901	39.4
144.01962	2.2
145.03476	11.1
148.00124	1.9
149.02946	1.2
155.01888	19.8
156.02159	1.4
156.03355	8.2
157.03452	13.1
157.08667	2.0
159.01399	3.3
161.02963	94.9
162.03082	5.9
163.04514	2.5
166.01190	2.2
167.01933	5.1
169.03430	2.6
169.71985	1.3
172.94308	1.8
173.02966	26.1
174.03059	1.6
174.04482	6.1
175.04518	3.8
175.09735	2.6
177.05515	3.3
179.01944	5.6
179.04008	2.3
183.01469	1.5
184.02165	25.1
184.04578	1.8
185.02980	27.5
186.04375	4.2
187.04532	6.3
190.95302	1.7
191.04012	1.6
197.02951	35.6
197.04651	2.2
198.03114	3.3
202.03317	5.6
203.04034	21.1
204.05559	2.5
207.01421	3.8
208.02200	8.0
209.02989	3.2
210.03494	1.5
215.04065	6.5
219.01813	1.7
219.05130	1.3
220.02260	2.5
221.02921	3.2
221.05113	7.0
222.03865	2.3
223.04471	3.0
225.02385	1.2
226.03212	12.7
227.03958	6.5
232.02147	7.3
232.96487	1.7
235.04549	3.1
237.02510	1.5
238.03244	4.5
239.03940	3.1
240.04625	3.0
241.05566	12.8
244.02094	2.2
244.04378	2.9
245.05064	67.2
246.05338	6.0
247.04590	3.0
250.03235	19.9
251.03809	2.2
251.91498	1.3
252.04825	2.1
253.05659	10.9
259.04541	2.0
262.03171	8.0
263.06116	15.0
265.05579	14.8
266.05902	2.1
268.04395	2.7
274.97482	1.6
277.05649	3.6
283.06610	13.1
295.06546	3.7
307.06641	2.0
310.05338	33.8
311.05573	1.4
313.07623	1.9
314.02206	5.1
325.07697	18.3
326.02277	18.2
326.08032	1.6
328.06638	1.9
332.03253	2.9
343.08752	7.3
344.03302	14.3
385.09787	100.0
386.10086	10.9
400.25522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01855	1.9
57.03413	2.5
61.02901	2.3
63.08597	0.6
67.05502	1.2
68.99767	1.5
69.03431	8.7
69.07053	0.8
71.04978	1.3
73.02914	1.5
79.05467	2.1
81.03419	3.2
81.07038	2.7
83.38950	0.7
85.02900	28.8
85.03413	1.5
87.04440	0.8
91.03913	0.9
91.05451	3.9
95.04996	0.9
97.02885	7.8
99.04424	1.4
103.05409	1.2
105.07024	1.1
107.04943	4.0
107.08578	2.1
109.02846	3.6
110.16277	0.8
111.04429	1.8
114.09161	0.7
115.05394	0.8
117.07026	1.3
119.04145	1.1
119.04939	11.4
119.08545	1.7
121.02798	0.6
121.06447	0.7
123.04382	2.6
127.03930	6.4
129.06967	1.0
131.04897	2.6
131.08572	7.8
133.06451	1.8
135.04456	3.7
135.08051	7.6
137.05984	6.8
139.03891	8.6
141.07013	3.4
141.12726	1.2
144.05646	2.5
145.04942	3.0
145.06392	0.7
147.04402	22.5
149.02313	1.5
149.09613	1.4
153.01817	17.0
153.05412	2.2
155.42995	0.8
159.04477	4.1
159.08047	33.5
160.08333	1.0
161.05946	2.5
163.03937	5.6
163.07529	18.5
164.04619	1.1
165.05472	22.2
167.03404	2.7
169.06471	1.0
175.07484	0.9
176.04704	3.8
177.05467	8.3
177.09097	7.1
179.07062	0.8
187.07533	36.0
188.07837	1.5
189.05492	1.0
190.06221	1.1
203.07048	0.9
205.08577	100.0
206.08920	6.3
213.05145	0.8
223.09628	82.5
224.09943	4.9
231.06519	1.6
247.09618	0.9
259.05954	1.1
287.05518	5.1
288.05652	1.0
367.13776	0.7
385.09030	2.8
385.14594	52.8
386.15192	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	385.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10691	0.4
59.47518	0.4
62.22404	0.4
62.98255	19.2
63.26274	0.4
67.05482	0.5
69.56593	0.5
81.07052	0.5
83.20335	0.4
86.83516	0.5
90.98283	0.5
93.07050	0.5
95.08599	0.5
105.07017	0.5
123.15798	0.4
148.70561	0.4
167.95930	0.5
184.98167	2.7
265.15363	1.3
271.16141	0.7
283.16425	9.9
294.74582	0.5
297.14365	9.0
297.17447	0.8
299.15836	0.6
325.13828	13.4
326.14096	1.2
330.13516	0.5
332.95599	0.4
353.13318	12.2
385.15958	100.0
385.23898	2.6
386.16321	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	385.1833
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
55.97491	0.2
69.01476	0.2
69.57176	0.3
69.57587	0.4
78.68432	0.1
94.15940	0.2
203.05276	0.8
205.12067	0.8
223.12961	0.2
245.06319	20.9
246.06737	0.6
335.63495	0.2
367.17502	0.2
385.18301	100.0
386.18637	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	385.1839
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
50.62464	0.3
55.01874	0.4
58.40517	0.3
61.02930	0.4
61.16908	0.4
69.03446	2.0
69.55819	1.4
71.05016	0.3
73.73584	0.3
79.05527	0.5
81.03415	0.9
81.07043	0.4
83.04967	0.6
85.02906	2.8
86.03255	0.4
87.00843	0.4
91.05474	0.7
92.28112	0.3
93.07047	0.6
95.04951	0.8
95.08638	0.5
97.02881	0.7
97.06606	0.3
105.01871	0.5
105.07018	0.9
106.02927	1.1
107.04945	0.4
107.08590	1.0
109.02894	0.4
117.06976	0.4
119.08566	0.4
121.06480	0.7
124.03911	1.8
125.05972	1.0
127.03951	0.9
133.10124	1.5
135.08047	0.5
135.11700	0.7
139.03893	3.2
141.12831	0.4
143.08525	0.4
144.09396	0.5
145.04991	0.4
145.10100	1.0
147.08073	0.6
149.09616	0.7
151.03821	0.5
159.11678	1.2
161.09619	2.3
163.11185	4.4
167.07008	0.4
170.07425	0.3
173.09779	0.5
177.12762	3.7
178.13025	0.4
187.11168	1.0
187.13255	0.3
195.23445	0.4
201.05380	0.6
201.09114	0.5
203.07039	0.5
205.12210	7.7
206.08064	0.3
206.12523	0.4
209.08099	0.4
223.09441	0.5
223.13078	2.5
227.10579	0.4
268.08212	1.3
273.11215	0.4
274.35675	0.3
283.09958	0.4
301.10675	0.8
319.11798	0.8
385.18329	100.0
386.18552	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	385.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00114	2.2
66.29932	2.1
69.07079	2.4
69.62377	9.2
77.09062	2.8
87.74623	2.4
98.22693	5.1
105.07048	20.3
106.07361	10.5
113.46616	2.6
120.00438	2.2
122.09722	13.4
123.09996	7.5
162.78494	2.9
163.81032	2.5
275.13855	2.6
288.60062	2.7
385.23492	100.0
385.33063	14.2
386.23749	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	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51234	1.8
55.01870	6.2
55.05510	14.0
57.03417	2.1
57.07073	6.8
59.05001	2.4
67.05511	21.8
69.03422	6.1
69.07066	11.2
69.42577	6.2
71.04990	2.8
71.08632	15.8
79.05495	18.6
81.07060	27.3
83.04967	6.8
83.07530	2.0
83.08606	4.8
85.06524	4.1
91.05491	16.0
93.07055	26.8
95.04979	16.2
95.08601	18.4
96.05735	3.0
97.02882	12.0
97.06525	8.7
97.10145	3.1
99.08071	10.1
105.07043	13.4
107.08608	8.4
109.06522	17.8
109.10174	6.4
111.04441	15.7
111.08069	3.5
113.06000	2.9
115.19533	2.1
117.07040	3.1
119.08604	9.6
121.06493	17.7
121.10154	13.5
123.04425	10.0
123.08069	8.5
123.11689	2.7
124.05227	2.1
125.05931	3.4
131.08565	13.3
133.10150	5.4
135.08023	6.7
137.05980	3.8
137.09601	5.2
139.11203	3.4
143.08531	2.9
145.10115	3.2
147.08038	4.5
147.11649	3.9
149.09616	10.7
149.13321	2.8
151.07498	3.2
151.11217	2.3
159.11707	2.3
161.13264	5.7
163.11156	6.0
165.12752	13.4
167.10657	7.5
173.13254	2.1
175.11205	2.4
177.02625	1.9
177.12631	2.7
181.12231	100.0
182.12607	5.4
191.14307	5.4
193.12225	2.5
237.14545	4.7
263.16522	2.7
265.17133	2.1
275.20010	2.2
277.21573	3.7
289.21591	8.5
293.21143	18.2
295.19089	2.7
305.21112	20.8
306.21524	2.5
351.25290	65.5
352.25555	7.4
367.24527	6.7
381.98376	2.2
385.23721	9.0
386.38080	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2737
Annotation	Surinone B
Peak:m/z	Relative Intensity
55.05509	9.2
55.20352	3.1
64.12639	2.8
65.70489	3.0
67.05506	89.7
69.07067	6.3
69.33221	9.6
69.33627	5.8
70.80715	2.6
71.63646	2.6
79.05493	9.8
81.07054	97.7
82.07387	4.9
83.08624	7.2
92.41888	2.9
93.07051	6.4
93.31499	2.8
95.08607	87.2
96.09039	3.0
97.10130	3.4
98.22941	12.2
107.08593	3.2
109.10153	31.6
117.34445	3.0
123.04430	76.0
123.11698	19.6
133.03474	4.6
137.05928	6.2
137.13219	14.8
149.05984	28.9
149.85381	3.2
151.14850	6.8
163.07542	100.0
164.07866	5.1
175.04521	25.5
177.09122	24.4
191.10606	5.3
205.08510	6.8
257.45380	2.9
261.18732	3.0
273.18640	6.3
287.20181	5.6
293.62701	3.0
343.26294	53.6
344.26666	5.5
385.23590	11.4
385.28934	47.7
386.23917	6.4
386.29437	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	386.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65377	1.3
70.03413	1.7
74.55748	1.3
81.07065	7.7
82.07401	2.4
87.04481	2.1
91.05486	2.0
93.07046	2.4
95.04977	1.8
97.56665	1.3
99.08099	2.3
100.11272	1.4
107.04955	23.0
108.05325	1.6
109.06498	1.9
111.04467	3.0
119.04929	2.4
119.08577	1.4
121.02901	3.3
135.04492	3.5
137.06007	2.5
139.03874	2.1
149.02344	53.5
151.03908	3.1
153.01833	60.0
154.02197	2.9
167.03366	6.7
169.06511	3.2
189.09087	1.7
195.02934	5.3
197.05844	1.8
205.09999	4.7
206.10278	3.8
207.09947	4.5
211.04202	2.5
215.07033	50.7
216.07222	3.3
216.93834	1.5
225.06693	2.4
242.05592	1.4
242.93810	1.4
243.06531	51.0
244.06865	3.8
259.91373	1.4
267.04865	1.5
270.73193	1.4
271.05997	26.9
289.07043	100.0
290.07388	4.9
326.27954	1.7
369.03036	2.1
385.18558	1.7
387.14423	7.2
387.19946	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	386.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06123	0.4
50.11676	0.4
52.47368	0.4
53.03952	2.6
55.01876	2.7
55.02100	0.5
55.05519	0.6
57.03434	5.6
57.07068	1.5
59.04980	0.4
61.02926	10.2
64.19247	0.4
65.03935	0.4
67.05507	1.7
69.03428	19.7
70.06140	1.2
71.01353	0.7
71.04990	3.5
72.40847	0.4
73.02922	3.7
77.03935	1.7
79.05489	29.2
80.05833	1.2
81.03411	8.4
81.07048	1.0
83.01339	0.7
83.04973	0.9
85.02902	94.9
85.06540	38.4
86.03239	2.2
86.06894	0.6
87.04469	2.0
91.03949	5.6
93.07047	1.5
95.04969	4.4
95.08614	0.9
97.02888	21.4
97.06522	1.2
98.03230	0.8
99.04457	5.2
101.02347	0.6
102.09169	0.5
103.03960	0.6
105.03387	56.4
105.04523	2.1
105.07030	0.7
106.03732	1.9
106.76905	0.5
107.04994	0.5
109.02875	7.1
109.06504	0.6
111.04403	0.5
113.05964	0.6
115.03932	1.7
117.07008	0.5
119.08582	0.7
121.06516	0.8
123.04425	100.0
123.08047	1.3
124.04747	3.7
127.03908	21.5
133.06366	0.6
135.08046	0.6
137.05975	2.2
139.07553	0.7
145.04953	45.6
145.10138	0.5
146.05261	1.4
147.08060	1.1
150.40869	0.4
151.07579	1.0
162.87207	0.4
163.06029	12.5
163.07465	1.2
165.09122	0.9
171.67499	0.5
175.07544	0.6
179.89162	0.5
181.04958	1.0
189.09091	21.6
190.09396	0.8
191.06964	0.6
193.08487	0.5
206.15419	0.7
207.60623	0.5
211.09657	1.2
224.16444	2.3
229.10719	4.2
231.06721	0.5
267.08517	0.5
285.09509	1.6
387.14084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36597	0.6
55.01858	0.8
56.82978	0.7
57.03436	7.5
59.04989	2.1
59.07775	0.6
61.02930	1.8
69.03429	29.5
71.01369	0.8
73.02914	1.7
81.03411	2.5
85.02901	40.3
86.03198	0.6
87.04468	23.2
91.03943	0.9
97.02259	1.5
97.02892	28.1
99.04453	1.4
103.03964	0.9
109.02880	3.0
115.03931	34.7
116.04295	0.8
127.03929	8.6
131.26053	0.7
133.04965	37.4
134.05293	1.2
145.04959	17.0
150.07629	3.8
158.99699	0.9
163.06018	9.8
225.07411	1.6
225.11143	1.3
237.13376	2.2
241.07066	1.1
259.08142	2.1
269.57703	0.6
277.09116	1.0
295.10135	1.6
386.14825	1.9
387.16263	100.0
390.96490	0.7
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
55.01870	2.2
57.03166	3.6
57.03435	22.7
59.05010	5.7
61.02936	4.2
64.43139	2.0
69.03434	70.1
71.04999	3.2
71.20057	2.6
73.02914	4.3
75.87292	2.3
79.85830	1.9
81.03414	6.0
85.02907	92.8
87.04473	50.4
88.04819	2.9
97.02897	60.4
99.04474	3.7
109.02913	3.0
115.03940	91.4
127.03922	17.2
133.04967	99.0
142.66614	2.2
145.04956	37.1
150.07635	10.7
163.06004	25.3
167.07008	3.7
187.13214	2.3
225.10992	7.9
237.13281	2.7
272.51846	2.0
277.09177	3.0
284.90308	2.1
295.10126	4.4
325.16074	4.5
343.25375	2.4
386.14774	4.3
387.16309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	61.5
58.07418	1.7
69.71944	2.6
77.03949	1.8
87.04468	1.6
89.06031	44.9
91.05482	9.3
93.07045	14.6
94.51747	0.8
95.04966	4.0
99.11720	2.7
103.05463	2.5
105.04506	1.9
107.08567	1.7
118.07783	1.4
119.04934	1.9
119.08574	1.8
121.06504	56.4
121.10107	0.9
122.06827	1.9
133.08609	13.4
135.08049	3.0
141.23860	0.7
147.08014	3.9
151.07516	0.9
163.11189	1.9
165.09122	23.1
177.11282	5.4
183.10173	2.4
192.55202	0.8
209.11745	7.2
219.17435	4.8
227.12886	1.2
263.20166	5.0
271.15405	100.0
272.15741	5.8
340.22495	1.1
368.21896	2.1
369.26419	15.2
370.26721	1.1
386.23029	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1288
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
53.03944	0.3
53.19699	0.2
55.01875	1.1
56.05019	0.3
57.03439	0.7
59.05019	0.2
61.02934	0.4
65.03922	0.2
67.05487	0.4
68.99789	1.4
69.03423	1.0
69.16940	0.2
70.06585	0.3
70.25962	0.4
70.26293	0.2
71.04951	0.2
79.05492	0.3
81.03415	0.6
84.98746	0.2
85.02899	2.3
91.05484	0.8
95.04989	0.3
97.02892	0.9
99.04475	0.5
100.76364	0.2
105.07043	0.6
107.04976	0.4
107.89519	0.3
109.02876	0.3
111.04436	1.0
115.05450	1.9
119.04950	3.3
123.04420	1.2
127.03910	0.7
133.06490	2.6
135.04430	0.5
137.05986	0.7
139.03906	1.7
145.04955	0.4
147.04408	8.4
148.04742	0.5
149.06018	0.3
151.03816	0.3
161.05972	1.6
163.03905	100.0
164.04245	4.2
165.05486	6.6
166.05795	0.4
167.07079	0.4
177.05614	0.3
179.06995	1.3
183.35748	0.2
187.03932	0.6
189.05486	1.0
190.88686	0.3
202.03391	0.2
207.06528	37.5
208.06863	1.8
209.08003	0.4
215.31735	0.2
225.07582	18.4
225.11055	0.8
226.07939	1.0
259.07864	1.4
301.12186	0.7
317.12100	0.5
343.13306	1.7
387.12433	3.7
387.16183	22.1
388.12109	0.5
388.16998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
56.05001	0.2
57.03423	0.6
59.04979	0.4
61.02900	0.3
68.99785	1.4
69.03394	0.9
69.77445	1.0
70.06582	0.3
72.08147	0.5
73.02879	0.3
81.03400	0.4
85.02901	2.1
86.09653	0.3
91.05458	1.0
97.02871	0.8
99.04425	0.5
103.07581	0.3
105.07027	0.6
107.04934	0.5
111.04420	0.9
115.05453	1.6
119.04945	3.4
123.04424	0.8
127.03907	0.6
133.06499	3.0
137.05959	0.7
139.03886	2.0
145.04889	0.4
147.04404	8.5
149.06000	0.4
151.03880	0.3
161.05960	1.9
163.03905	100.0
164.04251	3.5
165.05499	5.3
167.06961	0.3
179.07033	1.2
187.03889	0.5
189.05460	1.0
207.06528	39.2
208.06903	2.2
209.08026	0.4
209.13777	0.8
225.07590	19.3
226.07950	1.0
229.05008	0.4
231.06683	0.4
249.07613	0.4
259.07956	1.6
262.75613	0.3
301.12579	0.5
317.12054	0.3
343.13461	1.9
387.12564	2.7
387.16434	28.2
388.16867	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39147	4.2
69.39534	3.7
85.02913	3.7
86.04949	1.8
89.06069	2.8
100.84087	1.7
137.05962	3.1
147.08179	1.6
149.05971	2.2
162.51207	1.6
163.07555	4.0
165.09102	2.2
173.75287	1.7
181.08626	2.6
187.07501	5.1
191.10661	2.4
201.08977	2.0
203.10725	2.6
207.10121	8.0
207.14014	1.9
209.11720	3.2
225.11023	6.8
231.10191	2.1
291.12485	2.5
325.16129	3.8
329.09775	3.0
387.14603	100.0
388.14682	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	387.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37643	1.8
58.55352	1.5
70.51733	2.3
75.79970	1.6
85.02860	2.1
85.40370	1.6
101.96088	1.6
113.02776	1.7
144.60164	1.6
167.07051	1.8
288.30441	1.7
324.65820	1.8
387.13895	100.0
388.14111	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	387.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33108	0.8
61.02894	0.9
67.05503	1.1
69.03427	2.0
70.95581	1.6
71.05011	1.1
81.03429	1.3
81.07058	1.4
83.04984	1.2
85.02914	3.5
86.82887	0.8
91.05507	1.9
93.07036	1.4
95.04969	1.2
95.08599	2.5
97.02904	0.9
105.07055	2.3
107.08583	2.7
109.02924	0.9
109.10178	1.2
110.07165	1.2
116.54383	0.9
119.08605	3.6
120.04539	1.6
121.10117	1.7
123.08066	1.4
125.06007	2.1
127.03930	1.0
133.10144	1.6
135.08101	1.1
135.11708	3.6
137.09637	3.7
147.11737	1.8
149.09647	3.1
151.03941	1.0
151.07481	1.1
157.08449	0.9
161.13306	4.2
171.11740	1.2
179.06956	1.2
189.12788	4.0
191.06836	1.1
207.13782	5.6
225.14809	2.5
273.09329	1.7
320.12137	1.4
387.14203	100.0
387.19876	52.9
388.14594	8.4
388.20218	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	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.60002	0.7
53.75579	0.6
55.01876	1.6
59.06098	0.7
61.03971	0.6
64.36427	0.6
65.03939	2.8
67.05513	1.5
69.03421	0.7
70.79803	1.0
77.03941	0.8
79.05478	1.9
81.03416	1.0
81.07019	0.6
85.02895	1.5
91.05476	2.5
91.59068	0.6
93.07051	0.8
94.04202	3.7
95.04974	1.9
97.06502	1.0
102.09486	0.6
103.05467	13.4
105.03394	1.2
105.04540	0.9
105.07018	1.9
107.04935	2.7
107.08653	0.6
108.02087	0.8
110.03722	0.7
111.04402	0.7
115.05453	2.9
117.07039	2.5
117.17493	0.8
118.04149	2.8
119.04910	1.3
121.06490	0.8
121.10147	0.7
122.03645	7.4
123.04347	0.7
125.06018	0.9
130.04150	1.1
131.04941	13.0
133.02849	1.6
133.06500	2.5
134.03645	0.9
135.08095	1.4
137.05981	100.0
138.06331	3.5
141.05467	1.3
143.04922	3.2
145.06490	3.3
148.05203	7.0
149.05960	0.8
151.03915	38.2
151.05013	3.5
152.04253	0.9
153.05522	1.4
155.06032	1.2
161.05994	1.6
163.07547	12.9
165.05531	1.2
167.07043	12.5
171.06607	1.8
173.05951	4.6
175.07573	2.4
176.04678	1.9
181.04961	29.2
187.07541	0.8
191.07040	52.0
191.14305	1.0
192.07460	1.1
193.08688	1.6
195.06575	0.7
203.07053	2.6
204.13815	0.9
205.08672	3.7
207.10149	1.5
209.08139	2.5
221.07933	0.8
233.08122	2.2
235.09694	2.7
263.09280	1.6
263.92957	0.6
265.37622	0.7
268.10205	0.6
295.09564	1.0
337.11008	0.7
355.11871	3.2
357.13324	15.6
358.13635	0.8
369.13223	1.8
387.14398	41.2
388.14798	2.2
388.21307	3.3
388.25821	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.31157	1.1
51.88525	1.3
55.01868	1.8
56.51741	1.0
65.03944	2.3
67.05512	1.2
69.29430	3.4
69.29834	2.2
81.03393	1.4
85.02893	1.9
89.25382	1.1
91.05467	2.1
94.04216	3.3
94.58503	1.1
103.05467	11.8
105.07053	1.5
105.20125	1.0
107.04955	3.2
108.02085	1.7
110.03654	1.5
115.05434	2.0
117.07043	1.2
118.04189	3.2
119.04996	1.7
119.08560	1.2
122.03656	7.8
123.04415	2.4
131.04941	10.0
131.08502	1.1
133.02837	2.1
137.05977	100.0
138.06317	3.0
143.04936	2.2
145.06468	4.8
146.00513	1.2
147.08058	1.4
148.05190	8.3
151.03915	32.4
151.05038	3.6
155.06050	1.5
161.05904	1.3
163.07539	12.8
167.07042	13.7
171.06563	1.2
173.05988	3.8
175.07533	2.2
177.05597	1.2
181.04959	27.4
187.07533	1.4
190.05905	1.3
191.07033	39.7
192.07372	1.9
193.08548	1.8
203.07063	1.8
205.08582	3.1
209.07996	1.6
221.96571	1.3
235.09631	3.0
263.09268	2.4
265.08774	1.8
306.63608	1.3
307.09827	1.4
351.12274	1.6
355.11557	2.1
357.13214	12.9
358.13583	1.6
369.13397	1.9
387.14340	36.2
388.14780	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01883	1.7
58.15527	0.7
64.99751	0.7
65.03934	2.8
67.05495	0.9
69.18181	4.8
71.31255	0.8
74.87149	0.8
77.03896	1.2
79.05503	1.5
81.07073	1.2
85.02915	1.2
91.05486	1.7
94.04207	2.3
95.04962	2.1
102.56499	0.7
103.04855	1.0
103.05475	11.7
105.03379	1.1
105.07036	2.1
107.04954	3.0
115.05470	2.0
117.07011	2.3
118.04150	2.8
121.06439	0.9
122.03647	7.0
125.05992	1.3
131.04927	11.3
133.02856	1.5
133.06470	1.7
135.08047	1.0
137.05975	100.0
138.06319	2.2
141.05466	1.1
143.04921	2.6
145.06511	2.9
148.05196	8.4
151.03908	31.9
151.04990	2.9
152.04402	1.3
153.05435	2.0
155.06105	1.5
163.07526	12.3
167.07042	13.6
173.06035	4.3
175.07539	2.1
176.04655	1.7
181.04956	25.2
187.07550	1.0
191.07019	43.6
192.07463	1.6
200.05409	1.1
203.07063	1.9
205.08595	2.5
209.08023	1.1
233.08128	1.1
235.09613	3.4
237.09218	1.0
265.08939	1.0
293.08014	1.1
305.08066	1.1
309.11301	0.9
337.10468	1.6
339.11859	0.9
355.11548	2.6
357.13263	9.6
369.13049	1.2
387.14368	32.1
387.19382	2.1
388.14767	3.0
390.15396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03429	0.4
56.01542	0.4
57.03428	0.5
69.03410	1.7
69.13504	1.6
69.13932	1.3
70.03773	0.4
76.37834	0.4
85.02893	2.7
86.03220	0.7
87.04458	0.9
88.04795	0.5
97.02905	1.4
98.03210	0.5
98.22675	0.6
111.92581	0.4
115.03938	1.4
116.04311	0.6
133.04918	2.1
134.05301	0.5
144.32010	0.4
145.04984	0.7
209.35065	0.4
225.07399	1.4
225.11014	1.0
317.12119	1.4
387.16272	100.0
388.16565	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	387.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	2.3
57.64596	1.5
58.66582	1.4
67.05505	6.9
68.30787	1.6
69.03438	3.9
71.05025	2.0
79.05499	2.7
81.07059	23.3
83.08659	1.7
85.02908	88.9
86.03244	1.8
89.06046	9.8
91.05492	5.8
93.07026	4.8
95.08614	6.8
105.07019	9.0
107.08591	4.9
109.06527	4.4
109.10163	11.4
112.40943	1.5
119.08579	11.0
121.10187	9.0
121.10872	1.7
123.11707	100.0
124.12018	3.1
124.67664	1.6
125.06001	6.8
131.08528	2.2
133.08601	6.1
135.04436	3.0
145.10101	4.9
147.08109	4.1
147.11676	12.6
149.09650	8.3
151.07542	2.5
163.07571	1.7
165.12653	2.1
165.41257	1.7
177.11247	1.7
189.12738	16.0
190.13126	3.7
191.07066	4.6
207.09898	1.9
207.13800	48.7
208.14120	5.0
209.08109	2.3
211.44406	1.7
225.11023	9.1
225.14850	6.6
231.83507	1.8
301.08826	3.8
317.12201	3.2
369.14771	2.4
371.22672	4.5
387.16501	95.9
388.16046	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
51.15272	1.8
52.45116	1.5
56.90127	1.3
67.05508	11.9
68.56843	1.3
70.97419	1.3
71.43416	1.6
79.08372	1.8
81.07082	2.6
85.06532	7.6
87.35005	1.3
91.05494	1.7
91.44415	1.4
93.07048	4.4
93.99131	1.6
95.08608	46.8
98.22792	1.6
105.07029	3.1
107.08617	2.9
109.10179	1.6
113.06013	7.3
119.08597	8.0
121.06567	1.4
121.10132	3.0
123.08072	15.4
134.56560	1.4
135.11700	7.4
147.11690	2.5
149.09631	14.3
158.86951	1.4
161.09679	1.5
161.13278	6.0
163.11163	3.3
165.12862	3.0
176.27052	1.4
189.12726	7.9
203.05292	6.0
207.13806	30.1
208.14156	1.6
225.11046	5.7
343.17261	4.6
387.16269	100.0
388.16687	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	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01883	0.4
57.03421	0.8
60.78148	0.5
61.02921	1.4
67.05513	0.5
69.03421	2.0
69.07059	1.6
69.45039	1.8
71.01306	0.6
71.04991	1.8
73.02907	1.0
79.05491	0.6
81.03400	1.0
83.65401	0.5
85.02410	0.6
85.02903	7.7
85.06554	0.8
88.43034	0.5
91.05503	2.3
93.07046	0.5
95.04978	0.8
95.08590	0.7
97.02893	2.4
98.23471	0.8
103.03906	0.8
107.04977	0.7
107.08607	0.8
108.05785	0.6
109.02908	0.6
119.08622	0.8
121.06510	3.3
123.08035	1.7
127.03909	0.8
129.05435	0.6
136.05190	1.5
137.02354	1.3
137.05980	3.5
139.07547	1.8
145.04950	0.7
145.06482	1.4
149.40469	0.5
151.07536	100.0
152.07883	2.5
158.07326	1.0
159.08009	1.3
161.05940	0.9
161.09628	1.0
165.09094	1.9
167.07053	0.9
173.09663	0.5
174.06734	1.2
175.07539	12.2
175.11153	0.9
176.08032	0.6
177.09081	1.1
178.35077	0.5
181.04973	1.6
186.10269	0.8
187.07536	0.7
188.08334	1.6
189.09105	5.5
191.10652	1.5
193.08614	2.4
201.09160	0.8
201.12782	1.0
203.14317	1.5
207.13795	52.4
208.14078	2.7
209.11722	6.9
215.07040	1.2
217.08572	7.7
219.13774	1.1
225.14807	4.8
229.12224	1.8
231.10187	1.7
231.13788	4.9
235.13269	0.7
243.13792	3.2
245.15350	2.8
247.13326	0.7
249.14897	3.4
259.09680	0.7
271.13150	0.6
273.14856	7.0
277.10721	5.5
291.16028	0.6
297.14905	0.8
315.15915	2.1
323.67154	0.6
333.16986	1.8
387.14474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01863	4.6
55.05500	4.8
55.96670	1.7
56.05030	2.5
57.03421	4.1
57.07084	2.7
58.58218	1.8
61.02911	7.7
67.05501	7.1
69.03429	25.3
69.07053	4.7
69.62766	3.7
69.63152	4.3
70.06598	2.8
71.04977	7.0
72.08140	3.6
73.02904	3.4
79.05482	5.6
81.03436	10.5
81.07053	10.5
83.04976	2.9
84.08145	2.7
85.02905	51.1
85.06502	1.9
87.04465	4.6
89.06023	1.7
91.03952	3.3
91.05455	8.1
91.29527	1.6
93.07040	9.3
95.04955	2.0
95.08603	57.0
95.09212	3.1
97.02889	15.9
97.06565	1.8
97.07664	1.7
99.04456	5.2
105.07027	20.7
107.08595	13.3
109.02842	5.6
109.06507	3.4
109.10140	8.2
111.08075	2.3
114.10315	2.0
117.06996	2.9
119.04900	2.3
119.08571	38.0
121.06513	2.6
121.10140	17.3
123.08064	14.5
123.11749	1.7
127.03930	9.1
131.08559	3.9
133.06473	6.8
133.10124	19.3
135.08032	2.3
135.11690	59.6
137.09630	14.2
137.13281	6.3
139.03841	2.9
141.07005	1.8
142.04950	1.8
143.08521	2.3
145.04941	7.5
145.10089	4.3
147.07997	2.9
147.11685	31.2
149.08482	3.5
149.09612	45.2
151.07532	13.5
156.09323	3.6
159.11707	2.5
160.08847	2.1
161.09547	2.1
161.13251	74.3
162.13521	1.9
163.11169	2.9
165.12785	7.7
171.11679	5.4
174.10419	7.4
177.05475	4.9
179.14301	7.7
189.12732	80.2
190.13139	4.3
191.14337	3.0
207.06496	2.3
207.13809	74.8
208.14119	3.1
210.11250	4.8
220.09669	2.4
225.10936	7.7
225.14784	3.5
240.19569	8.6
249.07849	1.8
282.48813	1.7
286.92093	1.7
299.24405	4.1
343.13574	2.4
343.23392	3.1
387.16534	100.0
388.15988	6.8
405.09552	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.02534	2.0
53.03932	2.3
55.05502	4.5
57.03432	3.1
61.02916	3.6
66.29723	1.6
66.43146	2.1
67.05491	4.4
69.03419	9.7
69.07067	6.2
70.00713	5.6
71.01347	4.6
71.04986	2.5
72.40842	2.0
79.05486	4.9
81.07060	5.6
83.04974	3.9
85.02907	17.2
91.05480	6.9
93.07030	11.5
95.08604	25.2
97.02891	5.6
97.06517	2.9
99.04462	2.1
105.07037	11.6
107.08601	20.0
109.02892	2.9
109.10128	6.0
119.08565	28.3
121.10121	23.4
123.08054	7.1
127.03880	5.0
131.08530	2.6
133.06514	2.6
133.10124	13.4
135.11702	29.4
137.09604	6.4
137.13242	17.7
145.04941	3.4
145.10126	5.6
147.08081	4.7
147.11679	20.5
149.09616	100.0
150.09982	5.3
151.07520	3.4
153.12717	8.4
156.09349	3.4
161.13245	31.6
163.11160	10.6
165.09154	3.2
165.12737	4.7
174.10440	2.5
176.10027	2.1
179.14305	3.8
181.12289	3.7
189.12744	51.6
190.13071	4.5
207.13782	35.6
208.14156	2.4
225.14853	80.5
226.15195	4.3
229.08598	2.0
269.73639	2.3
387.08646	4.1
387.15686	24.3
388.16138	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	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.40979	2.5
55.05492	4.2
65.12659	2.8
67.05494	6.5
69.03430	8.4
70.28919	3.9
70.29234	3.3
71.04996	13.4
79.05492	6.0
81.07071	5.4
83.04992	3.5
85.02903	17.7
87.04465	3.7
91.05502	6.8
93.07052	12.2
95.08612	12.3
97.06573	3.8
99.04463	3.0
105.07009	15.4
107.08592	9.2
109.02912	3.1
109.06532	6.4
109.10146	14.4
119.08577	19.3
121.10152	38.4
123.08091	3.9
125.05973	5.6
131.08600	4.9
133.10172	5.2
135.07973	4.2
135.11687	12.6
137.09634	33.6
139.11206	11.3
145.10130	2.8
147.11630	14.8
149.09616	100.0
150.09947	3.6
151.98663	2.7
161.09647	3.3
161.13229	23.5
171.11700	7.7
174.10390	4.8
179.14313	6.1
186.53972	3.3
189.12749	46.5
190.13177	3.0
207.13799	38.3
225.14838	78.7
366.15323	3.2
387.15927	4.2
387.20288	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61545	0.5
69.77116	0.6
70.51819	1.0
70.54342	0.5
102.06564	0.5
105.34394	0.6
126.79395	0.5
137.05974	0.9
173.98085	0.5
306.00336	0.6
308.66138	0.6
369.20163	0.9
369.47000	0.7
387.21387	100.0
388.21808	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	387.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92326	0.8
55.05504	1.3
60.27245	0.8
67.05503	1.6
69.00055	0.7
69.07071	1.0
70.86061	1.1
73.92097	0.8
74.32355	0.8
80.75154	0.9
81.07057	1.1
83.08617	1.3
89.06074	0.8
95.08604	2.6
98.22862	1.2
104.45863	1.1
105.07043	0.8
123.08118	1.9
124.93827	0.8
131.25861	0.8
137.05980	2.9
151.07530	21.4
153.35121	0.8
160.60698	1.0
177.09146	2.4
191.10703	2.1
219.13806	1.4
244.27103	0.8
317.24738	1.0
379.86707	0.8
379.92303	0.8
386.39926	1.7
387.21381	100.0
388.21616	7.6
388.31885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2507
Annotation	Bufalin
Peak:m/z	Relative Intensity
60.28260	1.1
63.22781	1.0
65.57504	1.0
69.46138	0.9
69.46477	5.1
98.23421	2.2
108.41961	0.9
110.71874	1.0
137.06000	1.9
151.07500	3.3
155.21895	1.2
312.07321	1.1
315.49829	1.1
327.22729	1.2
341.20993	3.1
356.23395	1.1
357.24026	11.9
387.25055	100.0
388.25488	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	387.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32697	0.5
55.05513	5.7
67.05502	3.5
69.07064	1.7
69.12505	3.0
79.05491	1.0
81.07057	2.4
83.08619	2.0
89.12226	0.6
93.07024	0.7
95.08607	6.1
98.23515	1.0
105.06995	1.4
108.05740	1.1
109.10154	1.2
121.06514	0.9
123.07236	1.0
123.08061	8.7
123.11623	0.5
135.08133	0.7
137.05974	5.0
151.07539	100.0
152.07889	3.5
163.07555	2.6
165.09117	1.6
175.07451	1.2
177.09105	10.1
191.10672	9.9
203.92868	0.5
205.12216	2.2
207.13792	1.4
219.13820	4.7
221.15376	4.4
247.16901	1.4
317.24765	7.5
318.25262	0.6
387.25217	1.0
387.32648	6.8
387.40332	1.2
388.31976	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	0.3
55.05512	4.4
57.07071	0.5
67.05505	4.5
68.98325	0.2
69.07068	2.1
69.32426	1.4
72.08152	0.6
79.05479	0.6
81.03370	0.3
81.07057	2.8
83.01334	0.5
83.08638	1.9
91.05489	0.3
93.07050	0.8
95.08605	5.3
97.10185	0.9
105.07005	1.6
105.23796	0.3
107.04944	0.4
108.05749	0.5
109.06512	0.4
109.10169	1.1
111.11685	0.4
121.06496	0.6
123.08070	8.1
123.11716	0.6
131.08554	0.6
132.21927	0.3
135.08018	0.6
137.05977	5.0
139.07574	0.5
149.05984	0.4
149.09648	0.4
151.07542	100.0
152.07892	3.4
159.07974	0.5
162.06779	0.4
163.07544	3.2
165.09123	1.4
175.07596	0.8
176.08249	0.4
177.09117	10.2
177.58513	0.3
178.09483	0.5
191.10657	9.4
192.10989	0.5
193.12202	0.4
205.12242	2.6
207.13802	1.1
219.13805	4.4
221.15379	3.2
222.15765	0.3
233.15396	0.5
235.16948	0.6
247.16905	0.9
261.18472	0.6
303.22931	0.3
317.24768	7.7
318.25058	0.8
323.11615	0.6
325.36609	1.1
341.12808	1.6
369.20374	0.4
387.21176	1.4
387.25427	0.9
387.32489	7.7
387.40002	2.2
388.32361	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	387.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.3
55.05510	4.9
57.07056	0.6
61.04071	0.2
65.03945	0.2
67.05505	3.7
69.03418	0.2
69.07072	2.5
70.06599	0.2
70.13956	0.2
70.33149	0.4
71.37579	0.2
76.04696	0.2
77.41678	0.2
79.05488	0.8
81.07058	2.9
83.01343	0.6
83.04944	0.3
83.08617	1.9
85.02893	0.2
91.05474	0.4
93.07043	0.9
95.04971	0.2
95.08611	5.5
95.09213	0.4
97.10172	1.2
105.07040	1.2
107.08531	0.2
108.05726	0.3
109.06538	0.3
109.10149	1.1
119.08595	0.2
121.06520	0.4
123.08067	7.6
123.11694	0.7
124.08461	0.3
127.69901	0.2
131.08598	0.3
135.08069	0.8
137.05984	5.8
139.07530	0.4
145.06577	0.2
145.10118	0.4
147.08032	0.3
149.05981	0.5
149.09570	0.9
151.07541	100.0
152.07880	3.4
159.08049	0.7
161.06006	0.4
162.06758	0.6
163.07547	2.9
163.11186	0.4
165.09158	1.3
165.67488	0.2
173.09639	0.4
175.07516	0.9
176.08298	0.4
177.09113	11.3
178.09502	0.3
191.10666	9.7
192.11014	0.5
203.07027	0.4
205.08659	0.3
205.12242	2.8
206.12726	0.2
207.13785	1.0
219.11650	0.3
219.13805	6.4
220.14149	0.3
221.15373	4.9
233.15479	0.4
235.16977	0.3
247.16989	1.4
259.13406	0.2
261.18549	0.8
275.20096	0.3
303.23242	0.3
305.25031	0.3
317.24744	7.9
318.25101	0.8
341.12769	0.2
345.28055	0.2
369.20370	1.2
371.25967	0.5
387.21552	1.3
387.32605	9.4
387.40475	0.4
388.28052	0.3
388.32520	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01884	1.1
57.03446	1.2
57.07061	0.5
57.74413	0.2
61.02938	1.1
68.99789	0.6
69.03429	4.1
69.07037	0.3
69.51813	1.0
71.04987	0.6
73.02921	1.2
77.03899	0.4
79.05493	3.5
80.14625	0.2
81.03419	3.2
81.07052	0.5
82.40298	0.2
85.02906	12.0
86.03229	0.3
87.00833	4.8
91.05481	0.4
95.04995	1.1
95.06082	0.5
95.08612	0.4
97.02896	4.4
99.04463	1.8
101.02341	0.5
103.03949	0.4
103.05488	2.2
105.01156	0.3
105.01870	7.0
105.07029	100.0
106.07370	3.7
107.08598	0.4
108.04487	0.8
109.02875	3.6
110.03210	0.2
115.03915	0.6
117.01868	0.5
119.08578	2.5
122.09682	0.7
123.04438	0.8
124.04729	0.5
125.02405	0.4
126.05493	0.4
127.03915	7.9
128.04247	0.4
129.01791	0.5
131.08559	0.8
131.90872	0.2
133.06580	0.3
137.05992	0.2
143.03401	1.0
143.08546	1.6
145.04964	3.9
147.02884	0.8
147.04404	0.5
147.08041	2.3
151.11162	0.4
157.10069	0.5
159.02890	1.9
159.08081	1.6
165.05463	0.3
166.05804	0.3
169.07607	0.7
171.02917	0.3
171.08028	1.1
179.05937	0.2
185.09605	0.9
189.03903	1.3
189.09120	0.8
191.10616	0.3
191.14281	0.7
193.13458	0.3
195.05617	0.3
195.08052	1.0
197.07004	0.4
201.09103	0.4
208.14120	0.3
209.11696	2.3
209.15427	0.7
213.03976	0.4
213.09085	2.0
214.09412	0.3
221.07179	0.4
225.06587	0.8
229.03285	0.2
229.05899	0.3
230.06604	0.5
231.04996	2.5
231.10176	0.7
239.08267	0.4
248.07626	0.6
249.06172	0.6
249.11186	0.3
271.07086	0.4
274.15305	0.3
285.08640	0.6
295.07202	0.4
313.08011	0.3
317.10269	0.5
328.09131	0.5
335.11307	0.4
344.27051	0.6
351.93158	0.2
370.10318	0.6
388.11285	1.3
388.15506	0.5
388.21213	0.3
388.29535	1.1
389.11282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01870	8.4
57.03437	5.9
57.34857	0.7
58.01162	0.6
61.02928	7.1
66.70042	0.6
68.99783	2.9
69.03429	30.7
69.69387	0.6
69.90336	1.3
70.58452	0.6
71.04990	4.9
73.02913	6.8
79.05473	0.8
81.03416	21.7
83.01319	0.8
85.02903	100.0
85.06551	1.7
86.03229	1.2
87.00826	38.2
91.03947	2.3
97.02892	31.1
98.23354	1.0
99.00877	0.7
99.04453	13.5
100.04813	0.8
101.02370	1.2
105.01865	67.4
105.07029	11.0
108.04450	3.2
109.02873	26.8
110.03211	0.8
115.03940	1.3
117.01859	3.9
126.05498	0.9
127.03912	70.6
128.04260	1.5
129.01823	4.1
131.08702	0.8
145.04951	38.2
147.02866	2.1
147.08084	0.8
151.07510	3.4
159.02902	14.7
176.08322	0.9
177.03973	1.5
189.03955	3.5
190.74030	0.8
191.10634	10.6
196.37207	0.7
209.11696	12.0
213.03941	2.8
213.09135	1.8
231.04990	26.6
231.10172	1.2
248.07690	2.3
249.06062	11.1
335.11420	1.4
349.28458	0.8
388.16141	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24117	0.4
53.03948	0.8
55.01895	0.5
57.03437	1.2
60.96428	0.4
61.02921	0.5
67.05546	0.3
69.03429	9.7
69.11537	1.4
71.01343	0.6
71.04979	1.9
73.02911	0.4
79.05473	0.6
81.03419	6.1
81.07043	0.8
83.01338	0.7
83.04960	0.3
85.02903	11.0
85.03416	0.5
87.00829	6.9
87.01323	0.6
87.04470	1.1
93.07071	0.4
95.04961	0.6
97.02893	14.5
97.06524	0.6
98.03239	0.3
99.04456	6.2
101.02378	0.5
105.01862	4.8
105.07023	3.5
107.08591	1.0
108.20469	0.4
109.02869	1.9
109.06512	1.1
109.10149	0.5
115.03924	0.3
119.08588	1.5
121.10122	1.0
127.03913	20.8
131.08578	1.6
133.10150	1.5
135.08041	0.4
137.06029	0.6
142.04753	7.5
143.08600	0.9
145.04956	14.6
145.10144	1.0
147.11673	1.4
151.03995	0.5
153.09113	0.4
158.10976	0.6
171.02899	0.8
173.13278	4.1
176.08125	0.4
187.01108	0.4
191.10669	0.8
191.14307	3.3
209.11772	1.3
209.15334	1.8
213.03979	0.7
227.16324	0.9
231.04991	12.8
234.07439	0.4
249.06046	6.2
268.13062	1.6
269.11459	0.9
278.58359	0.4
286.14026	0.6
287.12540	12.6
288.12970	0.9
326.17267	0.5
344.68811	0.3
370.16241	1.2
388.17291	100.0
389.17645	8.9
389.22501	0.5
389.57410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03424	1.3
61.02926	0.8
67.05476	0.5
68.99787	2.4
69.03401	0.7
70.14721	1.3
70.15059	0.9
71.04974	0.8
71.66010	0.5
72.57475	0.5
75.82807	0.6
81.03415	0.7
81.07037	1.6
85.02888	2.5
93.07013	0.7
95.08611	1.3
99.04455	1.3
107.04926	1.2
121.02865	10.7
121.06528	4.5
123.04426	14.5
135.08020	2.9
145.06450	0.9
147.04414	3.6
149.05977	71.3
150.06311	3.4
163.03893	2.5
163.07542	21.7
164.04253	2.9
164.07924	1.3
173.06046	0.8
183.33127	0.5
191.07021	27.7
192.07321	0.6
193.88843	0.6
207.06529	1.2
208.06898	1.3
209.08080	100.0
210.08424	4.9
225.07376	0.8
226.07790	0.6
227.08931	1.3
273.09470	4.9
310.17944	0.5
316.22787	0.5
348.74057	0.5
388.16846	3.6
389.17847	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84566	0.7
52.11195	0.5
55.01887	1.0
57.03416	1.2
60.66669	0.6
61.02913	0.6
68.99792	1.5
69.78033	1.8
76.30743	0.6
81.03391	0.8
81.07043	1.8
82.62402	0.6
85.02906	3.0
88.27060	0.6
95.08574	0.8
97.02915	1.1
97.26924	0.5
99.04450	1.4
107.04939	1.2
117.07037	0.7
121.02830	0.7
121.06519	4.0
123.04426	14.0
123.05279	1.0
135.08044	2.7
145.06566	0.7
147.04362	3.0
149.05981	70.8
150.06322	2.3
163.07547	18.7
188.89961	0.6
191.07021	28.6
192.07394	0.8
209.08090	100.0
210.08437	4.4
227.09253	0.7
362.82053	0.6
388.16513	0.9
389.17880	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	388.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.96563	0.6
67.05502	2.3
69.03420	0.8
79.05502	0.6
81.07071	0.7
85.02905	0.8
91.05458	1.4
93.07041	0.5
95.04942	0.5
97.02898	1.2
101.78436	0.4
105.07027	5.6
107.08580	1.2
117.06995	1.2
119.08582	2.7
121.06493	0.7
121.07721	0.4
121.10117	0.6
121.17470	0.4
125.05964	0.7
127.03912	1.0
129.07001	0.8
131.08583	3.6
133.10112	0.5
133.65672	0.4
135.08022	0.5
137.05954	3.1
142.04759	6.1
143.08566	1.6
145.04994	0.9
145.10121	1.8
147.08125	0.5
147.11700	2.5
149.13313	0.6
151.03960	0.6
158.10887	1.7
163.07524	1.7
170.54190	0.4
173.13252	12.0
176.08368	0.6
191.10670	11.4
191.14301	5.7
192.10989	0.8
209.09491	0.7
209.11707	6.0
210.12088	0.6
226.05339	0.6
254.80066	0.5
268.13068	1.7
269.11508	1.2
287.12543	11.5
288.12796	1.2
370.16312	0.9
388.17313	100.0
389.13293	0.7
389.17664	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	388.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87376	0.2
57.07064	0.6
67.05486	0.6
69.03426	0.2
69.52972	0.5
71.04989	14.0
72.05326	0.2
74.58892	0.2
74.59321	0.2
79.05479	0.3
85.02896	1.2
85.06526	0.6
91.05499	0.2
92.49725	0.1
97.02901	0.3
98.23415	0.3
103.17820	0.2
104.89775	0.2
107.04932	1.0
111.08129	0.3
121.06510	1.5
124.05205	0.2
125.06016	1.3
131.08542	0.5
137.05966	3.2
138.06732	0.2
139.07536	16.3
140.07855	0.5
145.04922	0.3
147.04399	0.2
149.06001	0.2
151.07532	0.7
152.07928	0.3
153.05467	0.9
159.08006	0.3
161.05965	0.3
162.06770	0.4
163.07547	0.6
163.11194	0.6
165.09131	0.4
167.06999	0.7
176.08284	0.8
180.08662	0.2
191.10664	6.6
192.11018	0.3
208.14182	0.3
209.11716	100.0
210.12071	5.2
222.00398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88882	0.5
55.01875	0.8
57.07091	0.7
67.01867	0.5
69.03443	0.6
69.32228	2.6
79.05490	2.0
81.07056	2.0
85.02898	2.1
85.06547	3.2
91.05461	0.9
94.04201	0.7
95.04977	0.7
97.02885	0.7
105.07042	0.5
107.04958	2.0
109.02856	0.6
109.06509	1.1
121.06521	0.9
122.03551	0.5
123.04446	1.0
125.06021	1.1
127.03942	1.1
129.06955	0.6
131.04919	0.6
131.08548	1.6
135.07959	0.7
137.05978	86.5
138.06274	3.1
139.03905	1.0
140.89226	0.5
149.05910	0.7
151.03900	0.9
151.07516	1.0
152.05688	0.8
159.08023	1.1
160.08827	0.5
161.05959	1.1
162.06752	0.9
163.07512	1.6
163.11194	1.5
167.07086	0.8
168.14314	0.5
174.06786	0.9
176.08366	3.0
176.75764	0.5
177.05331	0.8
178.08583	0.5
181.04977	1.8
183.06505	0.5
189.09125	2.1
191.10670	61.9
192.11014	3.1
201.09117	0.6
209.11728	100.0
210.12019	3.8
219.10181	5.4
233.11696	0.6
277.08713	0.8
313.01630	0.5
339.12317	1.9
371.14825	1.5
389.11166	1.0
389.15891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.75112	0.5
61.34108	0.6
63.86648	0.7
64.66850	0.8
67.54462	0.6
69.03423	2.1
70.50264	1.1
71.04984	2.1
77.18656	0.6
81.03411	1.7
85.02901	6.8
85.06539	9.2
87.00840	2.2
91.05477	2.7
93.07049	1.2
93.57363	0.6
97.02879	1.4
105.01882	3.5
105.07002	1.5
107.04943	0.8
109.02845	1.9
119.04963	0.8
121.06483	2.9
123.04384	0.7
123.08028	2.2
127.03916	4.3
131.08589	4.4
135.08084	1.0
137.05965	4.6
139.07559	1.2
145.04970	2.5
149.06023	1.5
151.07550	29.7
152.07953	1.2
159.02963	0.9
159.08057	3.0
160.08855	1.6
162.06750	2.3
163.07527	2.7
163.11186	3.6
176.08295	4.2
191.10675	89.4
192.11000	4.6
209.11732	100.0
210.12077	4.9
219.79329	0.6
231.05003	1.6
388.20782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
57.07079	4.9
69.03424	1.7
70.68694	0.9
71.04960	0.5
81.03411	1.2
81.07047	0.6
85.02911	5.5
85.06535	3.4
87.00831	1.3
88.45979	0.6
90.25849	0.6
91.05476	1.1
97.02895	2.1
99.04460	1.7
105.01866	2.9
107.04947	1.0
109.02851	2.1
112.53698	0.6
121.06504	5.6
123.04443	1.5
125.05952	1.9
127.03886	3.4
131.08548	2.7
135.08046	1.2
137.05978	5.3
137.09535	0.7
139.03908	0.9
145.04941	2.0
147.04431	1.0
149.05972	1.4
151.03914	1.0
153.05437	1.7
159.08067	2.0
161.05940	1.4
162.06770	4.2
163.07481	3.3
163.11176	3.1
175.07683	0.7
176.08319	4.9
189.09074	1.0
191.10660	100.0
191.80090	0.6
192.11029	4.5
209.11720	18.5
210.12033	1.2
225.24545	0.7
231.04897	1.1
316.86365	0.8
388.18811	2.2
389.17670	2.1
402.04593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46168	1.1
57.69759	1.1
65.03971	1.3
69.03434	1.0
69.53861	2.2
69.54247	2.2
85.02914	3.4
91.05481	100.0
92.05804	2.7
101.74355	1.1
108.77477	1.0
109.06467	1.2
109.10178	1.0
116.15273	1.1
123.07931	1.1
124.98457	1.0
131.08568	92.9
132.08914	4.1
136.55412	1.1
137.05986	4.0
138.06322	1.5
140.54346	1.3
145.10089	1.3
181.04993	1.8
181.90527	1.2
191.10695	6.4
197.48343	1.4
209.11761	8.3
210.11955	1.2
261.43832	1.1
274.29092	1.3
354.34927	1.2
388.15268	1.9
388.21085	4.9
388.25766	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	388.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40174	1.0
55.01871	2.3
59.00780	1.0
59.58209	1.1
67.05500	2.4
69.07068	100.0
69.35371	5.3
70.07381	1.7
79.05489	4.5
81.07039	1.7
85.02898	3.5
91.05483	1.4
103.05421	1.2
105.07000	1.7
119.10942	1.0
123.04437	27.8
128.37720	1.1
130.97543	0.9
137.05981	2.6
149.06021	1.2
163.07420	1.2
167.07051	1.9
174.06821	1.1
177.05490	1.9
181.04991	5.8
189.09154	1.6
191.10658	36.9
192.11029	2.5
209.08148	2.4
209.11757	6.5
209.13571	1.1
219.10194	3.1
277.08643	1.2
280.60242	1.1
371.15436	1.6
388.21002	2.8
389.15894	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	388.2122
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
52.18018	0.3
53.03948	0.5
54.55040	0.3
55.01869	1.0
55.05507	0.8
57.07067	0.5
67.05506	1.2
69.03434	4.5
69.07059	1.3
69.27383	1.9
70.06552	0.4
71.04991	0.7
71.08657	0.3
73.02878	0.4
79.05488	1.9
79.07207	0.3
80.05043	0.8
81.03426	1.5
81.07061	2.8
82.06572	0.5
83.01336	0.9
83.05003	0.5
83.07374	0.8
83.08617	0.5
84.96080	0.3
85.02878	2.4
85.29423	0.3
86.06088	0.4
87.00831	0.7
91.05492	3.5
93.07043	2.3
94.06535	0.4
95.04963	1.1
95.08595	0.6
96.08126	4.0
97.02892	1.0
98.23508	0.6
99.04462	1.0
101.02379	0.5
103.05488	1.0
105.01836	0.5
105.07038	2.1
106.06593	0.5
107.04985	0.5
107.08587	2.3
109.02888	1.0
109.06549	0.7
109.10135	0.7
115.05421	0.3
116.10767	0.3
117.01920	0.3
117.07025	0.8
118.06532	0.5
119.03417	0.8
119.08601	0.9
120.08109	1.2
121.06510	1.3
121.10158	1.6
122.03630	0.5
123.08083	1.6
123.11725	5.5
124.11259	0.4
127.03931	3.0
128.10722	0.4
131.04935	0.3
131.08545	1.4
132.05289	0.7
133.06456	0.4
133.10135	2.1
135.08087	1.3
135.11723	0.4
135.66296	0.3
136.11230	1.9
137.05988	5.6
137.09599	0.5
138.06325	2.7
138.12785	9.9
139.06535	0.3
139.07498	0.4
143.03468	0.4
143.08626	0.5
145.04984	1.0
145.06493	0.6
145.10095	0.7
147.06723	0.4
147.07990	0.7
147.11723	0.6
148.05217	0.5
148.07591	1.0
149.09695	0.5
151.03940	2.3
152.04259	1.1
152.10799	0.7
155.03389	2.1
155.07042	0.7
155.49889	0.4
159.02875	0.4
159.08083	0.7
162.09193	1.1
162.12749	1.7
163.07565	1.0
163.14828	0.8
164.07869	0.5
164.10692	0.4
165.05505	0.9
166.12291	0.4
167.07066	1.3
167.10805	0.4
168.07465	0.4
169.10188	0.6
171.08049	0.4
173.05949	0.4
173.13298	1.3
174.12837	0.4
175.07596	0.7
176.14331	2.0
179.07083	0.6
181.04971	1.2
182.05331	0.7
183.06546	1.0
187.07564	0.4
187.11244	0.5
190.12181	0.4
191.07030	2.0
191.14316	11.3
192.07417	1.9
192.14656	0.6
195.06546	0.5
197.09615	0.6
204.13847	11.7
205.08588	0.8
205.14484	1.3
206.15529	0.9
207.06592	0.5
207.10150	0.5
215.10715	0.5
219.10207	0.4
221.08072	1.0
233.08055	0.8
234.18558	0.7
257.11929	0.5
258.17001	0.4
260.16510	2.2
261.10986	0.4
262.94595	0.4
263.09109	0.4
273.11237	1.3
275.12784	6.6
285.11469	0.5
345.19131	0.4
347.58853	0.3
358.13574	0.8
360.21780	0.4
370.20270	0.5
388.21204	100.0
388.25681	10.4
389.21506	9.4
389.25665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92572	0.5
53.03939	0.6
55.01865	1.9
55.05512	1.3
57.03418	0.8
57.07065	1.6
59.03307	0.4
67.05501	2.4
68.99776	0.4
69.03429	2.4
69.07070	5.3
69.51822	1.0
71.05013	1.0
76.99646	0.4
79.03063	0.5
79.05491	2.0
79.77485	0.4
81.03419	2.6
81.07057	13.7
83.08614	1.6
85.02900	5.3
85.06551	1.4
87.00833	0.9
91.05479	5.1
93.07042	5.6
95.04965	1.3
95.08607	3.8
97.02892	2.5
97.06531	3.7
98.06863	0.7
101.02390	2.8
105.01867	1.1
105.07024	3.5
107.08585	8.3
108.08844	0.5
109.02874	2.2
109.06574	1.0
109.10149	3.7
109.54709	0.4
109.94904	0.4
119.03418	5.0
119.08573	2.1
120.02998	0.5
121.06509	0.9
121.10146	11.4
123.08064	6.6
123.11704	45.6
124.12038	1.4
127.03920	3.1
129.07014	0.6
131.08578	4.6
133.10130	18.9
133.11159	1.0
134.10477	1.1
134.95709	0.4
135.08061	5.4
135.11667	2.9
137.05991	0.7
137.09673	0.9
138.06317	0.6
145.04965	1.7
145.10081	1.6
147.11690	1.0
149.09634	1.0
149.13246	1.4
158.10977	0.8
163.14824	4.9
164.15163	0.5
173.13239	9.2
191.14305	100.0
192.14645	4.9
227.16457	0.6
241.39661	0.4
245.06563	0.6
272.15039	0.8
308.05807	0.6
316.70895	0.4
353.19754	0.8
388.13858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07809	1.6
50.35484	1.8
57.60493	1.8
59.75502	1.7
66.81654	1.9
67.05486	2.4
69.03427	48.9
69.07055	5.3
69.26308	9.6
78.11908	1.8
79.05505	1.8
81.07050	4.5
83.04984	3.4
85.02897	9.7
85.06535	2.3
91.03949	2.0
91.05484	4.5
93.07050	2.7
95.08601	9.2
97.02913	3.6
97.06521	2.7
105.07012	5.2
106.72195	2.0
107.08580	13.0
109.06515	4.3
109.10130	2.4
109.57095	2.1
119.08583	3.8
121.06474	2.8
121.10148	9.2
123.08017	3.4
123.11726	7.2
125.09645	17.6
127.03894	3.3
131.08554	4.9
133.10159	11.1
135.08064	9.5
135.11685	5.6
137.04341	2.1
137.09628	2.9
141.26920	2.1
147.11697	3.2
149.09615	7.2
149.13275	4.1
153.09105	10.6
158.10921	2.5
163.11194	3.0
163.14861	4.0
165.12685	3.7
173.13246	16.2
189.36418	2.0
191.14307	74.0
192.14667	4.7
194.41432	2.3
209.15372	100.0
210.15732	7.0
211.65663	1.9
233.25786	1.9
233.56306	1.8
291.35825	2.1
337.37363	2.3
344.26968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17485	0.7
51.89858	0.8
55.05505	1.0
57.07075	0.9
67.05508	1.8
69.03430	2.0
69.07068	1.8
79.05486	5.0
81.07046	2.7
81.72711	0.9
85.02918	2.0
86.18890	0.7
89.27806	0.7
91.05476	9.2
93.07027	4.2
95.08598	2.3
105.07024	11.5
107.08587	8.6
109.10105	1.1
115.05421	1.4
117.07030	5.7
119.08573	12.8
121.10133	10.3
123.11736	1.1
128.06180	0.8
129.06995	5.0
130.07837	1.5
131.08565	19.5
133.10136	6.1
135.08076	3.9
135.11708	1.3
137.09576	0.9
139.03944	0.8
143.08568	7.8
144.09315	2.8
145.10117	15.0
147.11671	6.9
149.09599	1.4
149.13257	7.6
150.13684	0.9
151.03915	1.3
156.09407	0.8
158.10919	10.5
163.07498	1.1
171.11749	0.8
173.13249	17.8
174.13586	1.1
175.14827	7.5
191.10674	2.7
191.14302	100.0
192.14641	5.1
209.09361	1.0
209.15373	1.1
265.00681	0.8
299.61371	0.8
389.08353	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	388.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
55.05515	54.9
55.49504	1.9
56.05855	3.3
57.07071	10.9
67.05513	19.9
69.03420	2.3
69.07069	56.0
69.45172	8.7
70.06583	2.7
71.04989	2.9
71.08626	3.5
79.05496	7.0
81.07056	19.5
83.01340	8.8
83.08623	24.2
84.04522	3.9
86.06077	8.8
89.06021	4.5
91.05492	8.1
93.07050	5.9
95.04974	2.4
95.08630	15.8
96.08938	2.2
97.10169	10.5
105.07040	4.3
107.04948	4.3
107.08585	4.8
109.10172	8.7
111.11729	2.4
117.07013	9.2
119.08611	3.1
121.06519	8.4
121.10154	3.9
123.08079	5.5
123.11730	4.1
124.08409	3.0
125.05990	2.8
125.13338	1.9
129.06993	5.0
130.57237	1.8
131.08557	8.5
133.06451	2.9
135.04422	2.7
135.08038	9.2
137.05969	26.4
137.06969	2.7
138.06300	2.6
143.08629	2.5
145.06502	17.4
145.10049	2.2
147.04410	4.1
147.08026	17.1
149.05991	6.0
149.09622	12.6
151.07542	100.0
152.07878	53.0
153.05479	4.6
157.06453	3.7
159.08063	11.5
160.05203	3.4
161.05991	35.3
161.09613	4.4
162.06783	4.9
163.07547	81.0
164.07986	4.7
168.32368	1.9
173.06029	4.9
174.06808	3.0
175.07553	80.3
176.04709	18.8
176.07906	4.8
177.09111	92.4
178.09456	10.0
179.07016	2.5
185.09683	3.2
187.07593	5.9
188.04607	4.5
189.09142	14.2
189.97797	1.9
190.06371	4.3
191.05280	3.8
191.07030	80.5
191.10631	21.3
192.11034	7.7
193.08591	23.1
203.07036	81.2
203.08908	4.5
203.10571	9.4
204.07396	3.9
205.08595	61.2
205.10449	4.4
205.12321	5.8
206.09024	3.9
213.09044	2.4
215.10725	4.2
217.08640	5.2
217.12274	7.1
219.13878	6.6
220.14166	5.3
221.15379	3.5
222.15692	4.3
231.10249	11.6
235.09601	2.6
245.11855	12.6
247.13347	2.3
259.13281	4.9
276.24991	2.1
315.23215	5.4
318.25067	10.0
329.24622	15.0
343.26328	39.9
344.26636	4.3
347.25839	6.5
353.24756	8.1
371.25803	89.3
372.26111	9.4
388.28326	49.2
388.32486	37.4
389.28592	4.9
389.33075	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	388.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48065	0.6
55.01871	0.7
55.05259	0.9
55.05514	13.8
57.07066	2.4
65.83939	0.7
67.05504	4.6
68.05029	0.6
68.99808	3.5
69.06707	0.9
69.07069	13.7
69.52461	2.9
70.06595	26.2
71.08633	1.3
79.05479	2.5
81.07063	6.3
81.40842	0.6
83.08624	6.8
89.06038	0.8
91.05482	1.7
93.07063	2.8
95.05009	0.6
95.08619	5.6
97.10172	2.7
97.52827	0.6
98.23331	1.4
103.65604	0.6
105.07011	1.2
107.04950	4.4
107.08580	1.3
109.10144	3.8
111.11713	0.8
115.05466	1.1
117.07030	1.6
121.06510	3.9
121.10149	0.6
123.04430	6.3
123.11719	1.1
129.07039	0.9
131.08546	1.6
133.06514	1.1
133.08549	0.6
134.97223	0.7
135.04401	0.8
135.08067	4.4
137.05969	10.9
138.06384	0.7
144.05635	0.7
145.06488	1.5
147.04356	1.7
147.08046	2.5
148.05148	1.1
149.05972	23.3
149.09634	2.5
150.06355	0.9
151.07590	3.7
152.07912	0.6
153.05484	1.4
157.06519	3.4
159.08052	9.5
160.05334	0.9
161.05992	4.6
162.06758	1.9
163.07544	44.4
164.07869	2.2
173.09598	0.7
175.07542	13.3
177.09102	35.2
178.09512	1.0
183.06512	2.0
185.09636	1.6
189.09093	2.1
191.10645	1.8
203.10686	3.5
205.12207	0.7
217.12192	1.7
258.31613	0.7
276.97357	0.7
301.21640	0.8
329.24692	1.0
353.28369	0.7
370.30957	4.9
371.29422	14.6
372.29907	1.2
388.32092	100.0
389.22870	1.4
389.27301	1.4
389.32349	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	388.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
54.31146	0.4
55.01871	0.7
55.05268	0.7
55.05514	13.8
56.09229	0.3
57.07078	2.2
67.05508	5.6
69.03430	0.3
69.06715	0.5
69.07068	9.0
69.52381	1.6
70.06590	6.6
71.08626	0.8
79.05490	1.4
81.07052	6.2
83.08624	4.6
84.08923	0.4
89.06009	0.4
91.05485	3.0
93.07018	1.1
95.04969	2.8
95.08605	5.6
105.07026	0.9
107.04923	2.2
107.08589	0.8
109.06512	0.7
109.10168	2.9
111.11716	0.4
115.05454	0.6
117.07005	1.1
119.08604	1.8
121.06493	1.4
121.10156	0.5
123.04442	4.1
123.08105	0.5
123.11691	1.0
129.06987	2.2
131.08565	1.5
133.06503	1.2
135.04417	3.1
135.08069	1.2
137.05975	15.1
137.13234	0.7
145.06482	1.2
147.04431	3.6
147.08063	4.9
149.05981	7.1
149.09610	1.4
151.07542	4.8
152.07875	0.9
157.06487	3.0
159.08052	2.8
160.05170	4.0
161.05988	3.1
161.08340	0.7
161.09599	0.6
162.06781	0.5
163.07542	11.3
164.07983	0.5
165.09109	0.7
169.33273	0.4
174.09209	0.4
175.07545	44.9
176.07925	1.1
177.09102	16.4
178.09518	0.7
178.83353	0.4
185.09576	0.5
189.09038	2.0
191.10619	1.7
199.11101	0.5
203.10660	1.5
205.12177	0.5
217.12253	1.3
231.13860	0.5
261.18567	0.5
273.18588	0.5
309.24176	1.0
329.24597	0.7
353.27026	1.2
370.31049	1.7
371.29367	7.9
372.30017	0.8
388.32086	100.0
389.32382	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24480	0.4
55.05526	0.4
58.16690	0.4
64.48927	0.3
70.62106	0.6
71.04966	0.4
79.05482	0.8
81.06613	0.4
81.07062	0.9
85.02901	0.5
91.05465	0.5
93.07018	1.2
93.23741	0.4
95.04961	1.7
97.06533	0.7
97.49628	0.4
105.07016	1.2
107.04954	0.6
107.08578	1.2
109.06516	0.9
109.10136	0.6
111.08104	0.5
118.47454	0.4
119.08596	0.9
121.10130	1.0
125.02121	0.5
133.10144	1.3
135.07951	0.5
137.05991	0.4
147.11720	1.9
151.03882	0.7
153.05412	0.6
163.11128	0.6
167.07095	0.9
169.08496	0.7
173.13148	0.6
191.10619	0.9
191.14259	0.7
192.11029	0.5
206.07086	0.4
206.98215	0.4
209.15382	1.7
215.01480	0.4
227.08899	11.5
227.12755	0.9
227.16373	4.2
228.09280	0.4
245.10391	0.4
251.05295	0.6
278.63156	0.5
334.09961	0.4
389.14120	100.0
390.09494	0.8
390.14462	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	389.1444
Annotation	Swertiajaposide A
Peak:m/z	Relative Intensity
51.04940	0.5
51.08012	0.5
68.36533	0.6
73.02917	5.9
85.02908	2.4
91.05462	0.7
91.07644	0.6
93.07040	0.7
95.04955	1.4
107.04991	0.6
109.06570	0.7
121.06496	0.9
123.04441	1.7
125.09090	0.6
132.96512	0.6
139.03918	0.6
140.04675	9.9
145.05028	0.9
147.08066	0.8
153.05496	1.0
155.07031	16.0
155.08307	1.0
156.07372	0.6
156.95993	0.7
165.09177	0.7
171.06541	0.6
173.08167	0.6
181.04953	15.6
203.05321	1.0
209.08093	4.9
209.11528	0.6
227.09135	32.3
227.12587	1.5
228.09485	1.3
228.12943	0.9
264.19067	0.6
389.17822	100.0
390.18307	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	389.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
70.35943	1.1
73.02930	4.5
85.02913	1.2
95.04962	0.6
97.02891	0.5
105.46973	0.5
107.04981	0.8
110.03651	0.5
122.14286	0.5
123.04443	1.3
128.42633	0.5
140.04689	5.2
148.60751	0.5
155.07024	11.4
157.80716	0.6
181.04979	11.6
181.08577	0.8
196.77777	0.5
203.05402	0.6
209.08119	2.9
227.09146	21.0
227.12576	2.1
228.09579	1.3
311.21622	0.5
389.17838	100.0
390.18146	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	389.1573
Annotation	Flustramine A
Peak:m/z	Relative Intensity
56.96555	4.5
61.02920	3.0
66.95081	2.5
69.03433	5.8
69.29025	8.2
69.29433	6.1
72.08128	5.9
72.76943	2.7
79.05494	10.7
81.03441	4.8
81.07064	3.1
85.02888	16.7
87.00851	2.8
89.06004	5.7
89.86306	2.2
91.05489	7.7
93.07047	3.1
95.04971	6.6
97.02905	4.7
98.97567	14.8
101.06030	3.0
105.01877	3.4
105.07037	6.9
107.04958	81.8
109.02886	6.4
109.06467	2.9
116.98627	6.0
119.08573	4.9
120.08093	21.4
121.02862	6.7
121.06503	3.5
121.10127	2.6
123.04440	7.9
125.05991	28.4
127.03903	7.0
129.07019	7.9
130.13654	2.2
131.08588	5.8
133.06502	7.8
133.10161	2.3
134.99609	3.1
137.05981	91.4
139.03915	6.4
145.04951	5.4
146.02754	2.5
147.08044	21.9
149.05980	6.6
151.03989	2.2
153.09084	2.5
161.05975	16.3
165.09151	11.3
166.08658	15.9
167.07027	3.3
177.05502	13.5
191.14337	3.6
193.08620	7.4
193.12215	30.8
205.05005	8.2
209.15338	5.4
211.09650	4.9
211.13326	35.7
222.07588	9.3
222.11252	8.9
227.12602	7.6
227.16434	4.1
239.14026	2.8
255.01782	8.0
389.16473	100.0
390.15802	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	389.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09863	7.6
55.01868	29.3
65.03938	32.2
69.07063	24.5
76.30106	7.6
79.05480	16.9
80.10704	7.4
85.02932	9.4
91.05472	10.8
93.03394	17.3
95.04967	19.4
95.99569	9.0
98.95583	7.3
103.05483	20.4
104.99292	6.9
105.07024	10.4
107.04966	10.5
107.08625	7.8
110.03671	19.9
111.04446	29.6
121.02882	19.1
121.06533	10.5
123.04433	25.0
125.05982	32.1
129.07050	13.3
131.04942	16.2
131.08586	8.3
135.04305	8.3
137.05986	43.8
141.06998	8.7
149.02380	9.2
149.05978	12.1
151.07544	12.3
153.05479	50.3
157.06531	12.8
163.07561	16.8
167.07036	35.5
174.06764	14.4
175.07564	29.7
177.05475	36.3
181.04988	100.0
189.09090	25.5
201.09024	8.0
209.08051	48.1
219.08154	12.4
219.10136	75.8
223.07501	14.6
227.06929	9.4
229.25046	9.0
235.07530	11.6
239.07127	13.4
240.07675	14.0
249.09026	18.5
253.08601	30.1
253.12238	10.3
254.09331	8.4
255.10101	15.6
261.09122	12.3
266.09439	11.8
267.10443	7.4
268.07483	10.4
277.08499	28.5
281.08160	11.3
281.11658	8.9
283.09705	12.7
284.10202	14.2
293.11722	8.4
299.12796	18.9
309.11209	17.1
313.10681	20.9
313.14197	11.5
327.12326	87.6
339.12390	31.0
341.13693	9.5
359.14822	82.6
371.14828	36.7
389.15604	50.0
390.16409	10.2
390.27280	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
55.01874	37.0
55.02143	2.0
58.34491	0.8
65.03946	10.3
67.05499	3.1
77.03904	1.1
79.05499	4.9
81.07059	1.6
82.04191	3.4
85.02915	5.0
91.05483	3.0
93.03420	2.0
93.07045	1.6
94.04166	1.4
95.04974	5.9
97.06538	1.9
103.05478	15.9
105.07027	2.3
106.04187	1.1
107.04961	7.4
107.08628	1.5
108.02084	2.4
108.54057	0.9
109.06524	1.3
110.03652	4.1
111.04444	3.7
115.05435	2.7
117.07021	3.3
119.04920	1.0
121.06490	3.0
122.03637	4.2
123.04438	3.7
124.05241	1.1
125.05996	4.1
128.06230	3.4
129.07008	11.0
131.04933	22.1
131.08543	1.1
133.06516	1.7
135.04419	1.6
135.08067	4.0
137.05977	41.1
138.03114	2.5
139.03940	2.3
140.04646	2.0
141.06934	1.1
142.02568	1.4
145.06482	3.3
147.04437	1.9
149.05983	11.0
151.03976	1.6
151.07549	2.9
153.05460	7.8
155.07112	1.6
157.06485	9.5
158.92792	1.0
159.04385	1.4
160.05182	3.7
161.05974	2.8
163.07527	11.9
165.05469	1.1
167.07036	25.0
171.06570	10.0
173.05965	1.1
174.06773	5.9
175.07536	15.2
176.07925	1.1
177.05479	39.4
177.09100	1.7
178.05893	1.2
181.04956	100.0
182.05273	4.1
183.06544	3.0
185.05991	1.3
187.07542	2.7
188.08257	2.0
189.09109	13.9
191.07054	1.5
191.08582	1.5
199.07561	1.9
205.08611	3.1
209.08084	71.4
210.08485	3.3
217.06627	2.3
217.08546	9.8
218.07222	1.7
219.08060	2.8
219.10176	3.1
233.09584	2.2
234.06822	3.2
235.07498	2.5
235.09698	2.3
237.09004	1.4
246.06801	1.4
247.07576	3.0
248.08351	2.0
249.09171	4.4
260.08426	1.6
261.09024	4.7
262.06271	1.1
262.09769	1.2
275.10458	1.0
277.08606	12.2
278.09219	3.1
279.10162	2.8
281.11472	1.3
290.09433	1.3
293.11707	2.8
297.11035	1.1
309.11115	3.9
311.12735	1.8
321.11157	2.9
329.13736	5.6
339.12302	14.4
340.12781	1.9
341.13852	4.0
350.67484	1.0
353.13812	2.6
357.13327	1.0
359.15067	4.4
371.14917	18.8
371.19220	0.9
372.15103	1.2
389.15945	67.0
390.16171	6.5
401.74854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
54.09863	7.6
55.01868	29.3
65.03938	32.2
69.07063	24.5
76.30106	7.6
79.05480	16.9
80.10704	7.4
85.02932	9.4
91.05472	10.8
93.03394	17.3
95.04967	19.4
95.99569	9.0
98.95583	7.3
103.05483	20.4
104.99292	6.9
105.07024	10.4
107.04966	10.5
107.08625	7.8
110.03671	19.9
111.04446	29.6
121.02882	19.1
121.06533	10.5
123.04433	25.0
125.05982	32.1
129.07050	13.3
131.04942	16.2
131.08586	8.3
135.04305	8.3
137.05986	43.8
141.06998	8.7
149.02380	9.2
149.05978	12.1
151.07544	12.3
153.05479	50.3
157.06531	12.8
163.07561	16.8
167.07036	35.5
174.06764	14.4
175.07564	29.7
177.05475	36.3
181.04988	100.0
189.09090	25.5
201.09024	8.0
209.08051	48.1
219.08154	12.4
219.10136	75.8
223.07501	14.6
227.06929	9.4
229.25046	9.0
235.07530	11.6
239.07127	13.4
240.07675	14.0
249.09026	18.5
253.08601	30.1
253.12238	10.3
254.09331	8.4
255.10101	15.6
261.09122	12.3
266.09439	11.8
267.10443	7.4
268.07483	10.4
277.08499	28.5
281.08160	11.3
281.11658	8.9
283.09705	12.7
284.10202	14.2
293.11722	8.4
299.12796	18.9
309.11209	17.1
313.10681	20.9
313.14197	11.5
327.12326	87.6
339.12390	31.0
341.13693	9.5
359.14822	82.6
371.14828	36.7
389.15604	50.0
390.16409	10.2
390.27280	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41053	16.1
67.05489	26.1
69.59327	69.6
71.50522	17.3
81.07027	17.5
87.82113	17.5
137.06006	33.4
151.07533	100.0
152.07898	60.6
153.05487	61.2
177.59192	19.3
179.07057	38.9
193.08609	35.2
235.09790	22.1
236.02225	19.5
314.62637	20.9
347.25275	22.3
366.12134	29.9
367.11816	29.7
385.12946	22.5
389.17639	22.6
389.26578	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	389.1727
Annotation	GS-3
Peak:m/z	Relative Intensity
54.58358	2.1
67.05502	2.3
69.07085	1.9
69.28416	10.3
70.06599	2.7
84.08108	4.3
85.95934	2.2
88.07617	2.8
93.10689	1.9
97.37241	2.1
105.77569	2.1
130.95688	1.9
131.69370	2.2
137.05942	3.8
143.78560	2.4
151.07538	6.9
198.99146	3.4
249.00078	2.2
328.31985	6.9
371.16211	42.0
372.16302	2.6
388.31851	13.9
389.17188	100.0
389.23010	6.4
389.32324	12.1
390.17459	9.0
390.35962	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	389.1782
Annotation	Trp Pro Ser
Peak:m/z	Relative Intensity
53.24784	0.3
59.38865	0.3
67.05627	0.3
69.03427	0.3
73.02908	0.3
85.02917	0.4
91.05476	0.3
93.07043	0.6
95.04964	1.0
95.08584	0.4
97.06542	0.4
99.04360	0.3
105.35726	0.3
107.08598	0.4
109.06513	0.6
121.10135	1.6
133.10124	0.5
137.49461	0.3
139.03862	0.4
141.05460	0.9
141.07953	0.3
147.04404	1.3
157.49104	0.3
161.05974	0.4
163.03958	0.4
163.07579	0.5
163.14786	0.3
165.05467	0.4
171.04420	0.7
189.05460	0.7
203.05302	1.7
209.08109	1.0
209.11453	2.7
209.15425	1.0
227.09091	0.9
227.12556	3.6
227.16356	0.4
233.08093	0.9
389.17813	100.0
390.18158	7.4
408.47900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44170	1.1
73.95758	0.3
75.22396	0.3
77.53886	0.3
85.02931	0.5
104.41190	0.4
105.07091	0.5
133.06451	0.7
137.23381	0.3
141.05428	0.4
147.04414	0.4
153.31844	0.4
158.19255	0.3
161.05971	1.5
193.08568	1.0
209.08307	0.7
209.11450	0.4
227.12488	1.8
233.08308	0.4
281.35358	0.3
330.01974	0.4
359.48221	0.3
377.22726	0.3
389.17798	100.0
390.18146	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	389.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44774	0.2
57.94760	0.3
61.61441	0.2
69.69567	0.3
69.69904	0.8
89.00719	0.2
98.23476	0.4
105.07019	0.4
107.16199	0.2
119.86485	0.2
133.06485	0.4
139.03899	1.0
141.78577	0.2
144.11140	0.2
147.04449	0.2
149.86028	0.2
150.09155	0.6
152.05658	0.3
161.05962	0.5
163.03978	0.3
175.07516	0.3
193.08696	0.5
203.05293	1.0
204.10060	0.3
209.11491	2.4
222.07710	0.3
222.11292	1.0
227.12523	4.2
264.94913	0.2
269.13748	0.3
330.10583	0.3
389.17810	100.0
390.18427	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
54.11686	1.5
55.05507	4.7
55.74746	1.6
57.03427	5.5
57.07050	3.3
60.34577	1.4
67.05499	5.5
69.03417	6.7
69.07064	7.0
70.67635	3.1
70.67980	1.8
71.04984	3.3
76.24034	1.6
79.05487	7.9
81.03415	2.1
81.07064	18.5
83.04964	2.1
83.08614	5.2
85.02901	21.4
85.06536	4.6
91.05470	8.8
93.07055	14.5
95.04974	22.7
95.08611	13.5
97.02882	4.3
97.06535	39.5
99.04472	4.7
99.08079	5.3
105.07030	23.8
107.08593	20.6
109.06519	69.6
109.10154	15.2
111.08093	4.6
111.38484	1.7
113.05997	1.8
113.09590	1.7
115.06877	2.2
115.07565	13.2
117.07027	2.7
118.89837	1.6
119.08586	14.2
121.10146	21.3
123.08044	5.4
123.11680	4.8
125.09669	2.5
127.03875	2.6
127.07560	4.0
131.08554	16.4
133.10127	66.3
134.10471	2.5
135.08041	9.6
135.11668	3.5
137.09587	3.3
139.11194	3.6
141.09087	2.5
143.08479	2.7
145.04955	1.9
145.10139	4.5
147.11676	37.4
149.09555	2.8
149.13255	7.3
151.03903	2.0
151.11168	4.4
153.09103	22.2
158.10890	4.1
163.14851	10.2
165.12752	5.3
167.10675	2.2
167.14230	1.8
171.10175	2.0
173.13251	29.7
174.13594	3.0
181.99913	1.5
187.89871	1.6
191.14316	45.3
191.15967	3.3
192.14633	6.5
193.08725	1.5
209.15369	100.0
210.15657	3.7
211.09618	2.7
227.16418	49.1
228.16826	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05504	3.9
57.03429	4.6
67.05494	5.2
69.03424	5.9
69.07059	6.7
69.46448	8.0
71.04978	4.4
79.05497	7.2
81.03406	3.8
81.07062	19.5
83.08595	4.2
85.02900	21.9
91.05483	9.2
92.56062	1.9
93.07050	12.3
95.04974	18.1
95.08608	10.7
97.02879	6.0
97.06538	37.3
98.23446	4.3
99.04459	7.1
99.08087	5.4
105.07038	21.6
105.57970	1.9
107.08591	18.7
109.02878	4.2
109.06523	70.3
109.10145	17.4
111.08059	5.4
113.09651	3.5
115.07578	11.6
119.08608	14.2
121.10155	21.6
123.08056	5.4
123.11730	4.1
125.09531	2.9
127.03905	7.9
127.07600	4.2
131.08565	12.1
133.10141	63.2
135.08044	10.8
135.11646	4.9
136.26718	2.0
137.09668	2.5
139.11101	2.1
145.04970	3.8
145.10114	6.6
147.11690	41.8
149.13252	5.2
151.11176	4.4
153.09111	24.2
158.10896	4.8
163.14819	8.3
165.12747	5.2
167.14252	3.7
171.10112	2.6
173.13278	34.1
186.58565	2.5
191.14302	42.8
192.14665	5.6
209.15363	100.0
210.15659	6.9
227.16417	62.2
228.16844	5.0
248.48000	2.0
271.37946	2.2
374.01123	2.1
389.17648	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.1
61.72448	0.4
63.76509	0.4
69.62001	1.7
88.04010	1.4
98.46285	0.4
100.86476	0.4
140.17155	0.5
214.90475	0.4
255.09000	0.8
267.09082	1.3
269.10608	1.1
285.10068	1.8
287.12012	0.4
302.30319	0.6
331.15707	0.7
349.16949	1.1
367.17868	1.7
389.22977	100.0
390.23318	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50524	0.3
83.69276	0.4
89.06029	0.7
121.06508	0.6
122.06873	0.4
130.84486	0.3
133.08582	0.4
173.18687	0.3
229.07457	0.4
290.26379	0.3
349.16937	1.3
372.24786	0.9
389.22974	100.0
390.23328	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	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33283	0.4
57.07065	1.0
57.83107	0.5
67.05499	1.1
68.93707	0.5
69.38906	2.3
80.78787	0.4
81.07066	0.7
85.06551	1.0
91.82034	0.5
93.07014	0.8
95.08577	1.0
115.23096	0.5
125.39023	0.5
137.05956	6.8
142.37802	0.6
162.49910	0.5
177.09277	0.5
213.27739	0.5
347.25800	6.6
389.22943	100.0
390.23276	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.5
57.07070	0.9
63.92490	0.6
66.24497	0.7
67.05527	1.0
69.62686	2.6
70.06590	1.8
73.07005	0.8
77.91749	0.6
80.12008	0.6
80.64547	0.6
88.07649	1.0
88.78818	0.6
99.98948	0.6
132.10190	1.1
146.11775	0.7
181.53052	0.7
203.18033	0.6
284.29453	1.5
328.32086	4.3
349.12994	1.1
349.16864	2.9
366.14056	1.4
389.12473	4.2
389.22961	100.0
390.23221	9.9
390.35776	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.5
57.07070	0.9
63.92490	0.6
66.24497	0.7
67.05527	1.0
69.62686	2.6
70.06590	1.8
73.07005	0.8
77.91749	0.6
80.12008	0.6
80.64547	0.6
88.07649	1.0
88.78818	0.6
99.98948	0.6
132.10190	1.1
146.11775	0.7
181.53052	0.7
203.18033	0.6
284.29453	1.5
328.32086	4.3
349.12994	1.1
349.16864	2.9
366.14056	1.4
389.12473	4.2
389.22961	100.0
390.23221	9.9
390.35776	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	389.2326
Annotation	Claviridenone G
Peak:m/z	Relative Intensity
53.03961	2.8
55.01876	2.6
55.05514	11.5
57.03432	2.3
57.07072	4.1
59.04998	1.5
65.03933	2.9
65.84637	1.7
67.05504	20.9
69.03409	2.5
69.07064	8.3
69.69903	3.1
70.06588	2.0
71.04998	3.5
76.32758	1.5
79.05504	21.4
80.94872	3.0
81.07055	31.4
81.46268	1.5
83.01352	5.2
83.04981	2.7
83.08640	1.9
85.06534	2.0
87.80681	1.5
88.07623	1.8
91.05479	14.3
93.03388	2.8
93.07053	20.4
95.04957	4.7
95.08603	24.9
97.06555	3.2
105.04511	2.1
105.07040	8.3
107.08593	15.2
109.06485	9.1
109.10171	18.3
111.04557	1.6
111.08073	5.9
114.03681	1.6
115.05466	2.4
117.07006	1.8
119.04932	1.7
119.08596	8.5
121.06487	5.5
121.10146	15.5
123.08047	7.2
123.11716	4.7
125.06017	4.6
125.09638	8.2
129.06999	2.9
131.08597	3.9
133.10130	4.8
135.04396	2.6
135.08035	3.0
135.11690	7.1
137.05984	23.7
137.09625	3.2
139.03879	3.2
139.07545	4.8
139.11226	5.1
140.04655	9.7
143.08496	2.7
145.06415	2.9
145.10088	2.5
147.04399	1.8
147.08026	2.6
147.11720	3.1
149.09647	4.3
149.13260	3.1
151.07573	2.6
152.04669	1.4
153.05461	42.2
155.07018	13.0
159.08035	2.2
159.11755	2.0
161.06013	3.9
161.13257	3.2
163.03964	3.7
163.07567	4.4
163.11194	3.6
164.92032	1.8
165.05469	1.7
167.03453	5.1
167.07101	9.8
168.04176	12.6
168.61343	1.4
169.04973	5.5
175.07549	4.6
175.14830	3.5
177.05487	9.2
177.09103	5.3
179.06999	3.2
179.49698	1.5
181.04951	11.0
182.05716	2.3
183.06526	100.0
184.06853	3.7
189.09145	2.2
191.07045	2.8
191.10674	2.5
193.08633	5.4
203.06897	2.1
205.08568	4.4
205.15862	2.7
207.06660	4.3
207.10089	9.6
209.08113	5.0
217.08618	3.6
219.10181	2.9
227.10623	1.7
233.11813	5.9
235.09676	2.8
245.11790	2.2
247.09645	2.2
247.13356	2.4
251.18089	1.7
259.20557	2.3
287.20105	3.6
311.20105	1.9
315.19534	4.6
319.22662	5.8
328.32089	3.9
329.17587	1.7
329.20984	7.8
339.19653	1.9
347.22253	8.7
353.20886	2.1
357.20581	6.8
361.23666	2.2
371.22095	7.5
374.20999	2.1
389.15363	2.2
389.19348	3.1
389.23242	49.4
390.23523	5.7
390.35950	10.8
407.17261	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2324
Annotation	Claviridenone E
Peak:m/z	Relative Intensity
50.03100	2.5
51.16756	2.9
55.01852	4.1
55.05523	15.8
55.45490	2.8
57.07065	4.9
59.05013	4.0
62.04059	2.6
67.05509	21.3
69.03439	3.4
69.07070	8.5
69.67109	6.7
69.67474	6.6
79.05482	16.2
81.07056	43.4
83.01328	4.0
83.08604	3.9
91.05456	15.2
93.07060	19.5
95.04971	9.8
95.08606	25.6
97.06509	4.2
97.10165	3.1
97.71679	2.7
98.22871	5.9
98.23421	4.0
104.99278	3.2
105.07030	7.6
107.08603	18.7
109.06532	11.0
109.10165	13.2
109.62070	3.1
111.08092	4.7
117.07009	3.7
117.65491	2.8
119.08566	4.9
121.10108	15.4
123.08065	7.6
123.11690	3.8
125.06038	4.8
125.09635	11.2
129.07008	3.9
131.07401	2.9
131.08551	5.3
133.10152	5.8
135.11705	6.4
137.05978	31.2
137.09625	4.2
139.03938	3.4
139.07547	4.9
139.11198	4.8
140.04654	12.9
143.48769	3.3
145.10130	5.4
147.08002	3.7
149.09612	7.8
151.07530	4.3
153.05481	37.7
155.07114	14.5
159.08159	3.2
161.05991	6.4
163.03885	4.4
163.07518	9.5
163.11195	4.6
167.07062	12.2
168.04179	11.9
169.04984	3.8
170.31477	3.5
175.07578	6.8
177.05447	12.1
177.09111	4.7
181.04991	10.9
183.06531	100.0
183.08151	6.4
184.06886	3.8
189.05684	2.9
189.09151	2.9
189.16318	2.9
191.07008	9.2
191.10641	3.2
193.08598	6.6
201.09007	3.1
207.06567	4.4
207.10185	6.9
209.08063	4.5
219.10286	4.3
219.61533	3.4
224.10135	2.9
231.10112	3.9
233.11769	6.3
247.13298	3.7
265.88470	2.6
315.19666	3.9
319.22534	6.7
328.32028	6.3
329.21088	9.4
347.22174	9.2
357.20618	8.8
365.21683	3.2
371.22049	9.4
374.20728	3.3
388.32642	3.8
389.23050	45.7
389.27502	4.5
390.23349	4.3
390.35617	8.8
407.22400	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	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05506	2.3
57.07074	1.2
65.03935	0.4
66.49118	0.1
67.05501	1.5
69.03428	0.2
69.07061	4.2
71.08620	0.7
74.71372	0.1
79.05482	1.5
79.88589	0.1
81.07055	4.4
83.01336	0.6
83.08623	2.1
85.10172	0.3
90.17160	0.2
91.05482	1.8
93.07037	1.1
94.04192	0.2
95.04940	0.3
95.08600	1.8
97.06519	0.2
97.10168	1.7
105.07047	0.2
107.04939	0.2
107.08585	0.7
109.06514	1.6
109.10153	0.9
111.11725	1.0
117.06964	0.1
119.04935	0.5
121.06488	0.8
121.10146	0.6
123.11688	0.4
125.05988	1.0
125.13274	0.3
129.06987	0.6
131.08528	0.2
135.08072	0.2
135.11678	0.4
137.05969	100.0
138.06308	2.9
139.07570	0.7
143.08499	0.2
143.14301	0.3
145.06488	0.3
147.08047	0.8
148.05046	0.1
151.03908	0.5
151.07541	1.6
153.05467	0.3
157.06474	0.3
159.08083	0.2
160.05194	0.4
161.05940	0.6
162.06772	0.4
163.07535	5.8
164.07910	0.1
165.05420	0.2
165.09131	0.4
167.07074	0.7
174.06825	0.4
175.07535	7.7
176.08107	0.5
177.09097	1.5
179.07025	12.5
179.18047	0.2
180.07391	0.5
181.08615	0.2
189.09103	3.2
190.09479	0.2
191.10674	0.7
191.17896	0.4
193.08598	2.6
193.12245	0.1
199.11168	0.2
203.10663	8.9
204.11055	0.4
205.08673	0.2
205.12231	4.5
205.14072	0.3
205.19519	0.4
206.12584	0.3
207.10156	0.3
217.12225	5.6
218.12569	0.2
219.13832	1.1
221.11624	0.1
231.13759	2.3
232.14027	0.2
233.15382	0.3
245.11635	1.0
245.15369	0.5
247.16943	0.6
259.13318	0.6
259.17004	0.3
261.18488	0.3
262.69974	0.2
273.14978	0.1
273.18457	0.2
287.20010	0.2
311.23718	0.2
329.24722	22.1
330.25067	1.9
347.25772	8.0
348.26025	0.7
371.25705	0.8
389.14063	0.5
389.26785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00988	0.6
55.01869	1.6
55.05513	4.3
56.20810	0.6
57.07082	3.0
65.03957	1.0
67.05507	10.2
68.99789	1.2
69.07072	6.4
69.51337	2.4
71.08616	1.2
79.05496	6.6
81.07058	13.6
83.08620	4.7
85.06537	0.8
91.05466	4.7
93.07036	2.3
95.04966	1.9
95.08605	11.1
97.06528	1.8
97.10168	3.3
105.04590	0.7
105.07032	1.8
107.04956	8.7
109.02883	1.1
109.10165	5.6
110.03671	3.9
111.11722	1.4
115.05450	2.4
115.91838	0.6
117.07019	1.6
119.04942	7.3
119.08547	1.0
121.06477	1.2
121.10120	2.0
123.04430	3.0
123.11725	2.9
125.05986	24.3
131.04892	0.7
133.06480	6.1
135.04410	0.9
135.08028	0.9
135.11685	1.0
137.05971	6.1
137.13235	1.4
138.03122	0.9
143.04932	0.9
145.06456	2.0
147.04408	16.9
147.08063	1.4
149.05934	3.5
151.07500	1.1
152.04678	0.6
153.05469	100.0
154.05821	4.9
159.04395	5.2
160.05084	1.3
161.05975	28.1
162.06244	0.8
163.07532	5.8
163.14807	0.7
165.05492	3.8
165.16400	1.1
167.07027	3.9
173.05995	4.8
173.09616	0.8
175.07558	5.1
177.05504	4.4
177.09114	3.9
178.06305	1.6
179.07036	48.1
179.17911	0.9
180.07367	2.7
181.08601	1.2
187.07594	1.0
187.32707	0.7
189.09128	1.9
191.07079	5.9
192.07857	0.7
193.08601	73.6
193.19597	0.9
194.08965	4.0
195.06544	15.1
199.07544	1.0
201.09076	1.4
203.06967	1.1
203.10693	1.5
205.08598	7.8
207.10129	4.1
213.31807	0.6
215.10626	0.7
217.08640	1.4
217.12331	1.9
219.10210	4.9
221.08076	13.5
227.10893	1.1
231.10112	1.2
233.11728	2.7
235.09656	37.1
236.09981	2.1
247.13330	1.5
249.11241	1.4
301.24915	0.8
313.21674	2.4
315.23212	2.6
329.24814	2.7
332.23337	5.2
339.23257	1.3
345.24237	17.1
346.24677	2.4
347.25784	18.7
348.26154	1.8
371.25815	6.6
372.26434	0.9
385.13171	0.9
389.22089	1.3
389.26871	18.7
389.31848	1.1
390.27106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88475	1.1
54.44091	1.1
55.01857	2.0
55.05507	5.2
56.56946	1.2
57.07069	1.8
63.89809	1.1
64.11353	1.2
67.05511	6.3
69.07066	5.4
79.05493	3.0
80.94870	2.4
81.07071	6.5
82.94498	1.3
83.08612	2.1
91.05474	4.5
93.07069	1.3
95.08603	5.0
97.10184	1.5
105.07042	2.6
107.04954	4.0
109.10143	3.0
110.03702	2.2
115.05474	3.5
117.07001	2.5
119.04937	6.8
121.06517	2.0
123.04411	2.4
125.05982	10.8
133.06499	10.0
137.05992	3.3
143.04890	1.5
143.08627	1.5
145.06491	1.7
147.04391	16.7
147.07985	2.3
149.05992	3.1
151.07527	3.5
152.07826	1.7
153.05458	45.5
153.08128	1.3
154.05855	2.0
159.04416	5.6
161.05972	32.2
162.06291	1.4
163.07573	5.1
167.07008	1.5
173.05966	3.8
175.07565	5.1
177.05501	3.5
177.09064	2.9
178.06203	1.5
179.07033	49.5
180.07408	2.9
189.09090	2.6
191.07033	4.6
191.10693	1.6
192.07695	1.8
193.08601	100.0
194.08951	3.1
195.06551	8.6
203.10785	2.0
205.08569	7.7
207.10252	3.2
219.10222	2.3
221.08040	7.0
229.02904	1.3
235.09654	29.2
313.21634	2.3
315.23160	4.2
329.24792	4.0
332.23169	2.1
345.24374	4.7
347.25824	29.5
348.26089	2.0
371.25720	4.5
389.26822	10.9
389.32327	5.5
390.27054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01877	1.2
57.03435	0.9
61.02927	0.9
69.03414	2.1
69.33524	1.3
73.02917	0.9
77.03932	0.6
79.05494	5.4
81.03405	2.4
81.07032	0.4
83.31259	0.4
85.02906	8.7
87.00843	2.4
91.05482	5.5
95.04973	1.6
97.02896	3.9
98.23449	1.0
99.04439	0.9
103.03955	0.8
103.05473	0.8
105.01871	3.4
105.04507	1.0
105.07041	2.0
107.04955	100.0
108.04562	0.9
108.05258	3.3
109.02866	2.8
109.06499	0.5
115.03952	0.6
119.08585	1.2
121.06490	3.5
123.04453	0.9
124.07611	0.7
125.02399	0.5
127.03920	4.3
129.07001	6.1
131.08572	1.1
133.06482	1.4
133.10129	0.6
143.03412	0.7
145.04965	2.9
147.08051	23.4
148.08409	0.9
149.05969	2.5
159.02931	1.0
161.05983	2.5
165.09125	13.2
166.09456	0.9
171.05283	0.4
173.05994	0.6
175.07436	0.4
177.05482	0.9
180.08768	0.5
187.07567	0.8
189.03964	1.7
191.07013	0.8
193.08585	4.3
193.12274	0.6
197.06064	0.6
205.05000	0.7
211.09645	4.8
215.07050	1.9
228.12315	1.2
229.03424	0.6
231.04999	2.3
249.06137	0.9
284.09714	1.2
338.90115	0.4
390.15878	0.7
391.19345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01877	1.2
57.03435	0.9
61.02927	0.9
69.03414	2.1
69.33524	1.3
73.02917	0.9
77.03932	0.6
79.05494	5.4
81.03405	2.4
81.07032	0.4
83.31259	0.4
85.02906	8.7
87.00843	2.4
91.05482	5.5
95.04973	1.6
97.02896	3.9
98.23449	1.0
99.04439	0.9
103.03955	0.8
103.05473	0.8
105.01871	3.4
105.04507	1.0
105.07041	2.0
107.04955	100.0
108.04562	0.9
108.05258	3.3
109.02866	2.8
109.06499	0.5
115.03952	0.6
119.08585	1.2
121.06490	3.5
123.04453	0.9
124.07611	0.7
125.02399	0.5
127.03920	4.3
129.07001	6.1
131.08572	1.1
133.06482	1.4
133.10129	0.6
143.03412	0.7
145.04965	2.9
147.08051	23.4
148.08409	0.9
149.05969	2.5
159.02931	1.0
161.05983	2.5
165.09125	13.2
166.09456	0.9
171.05283	0.4
173.05994	0.6
175.07436	0.4
177.05482	0.9
180.08768	0.5
187.07567	0.8
189.03964	1.7
191.07013	0.8
193.08585	4.3
193.12274	0.6
197.06064	0.6
205.05000	0.7
211.09645	4.8
215.07050	1.9
228.12315	1.2
229.03424	0.6
231.04999	2.3
249.06137	0.9
284.09714	1.2
338.90115	0.4
390.15878	0.7
391.19345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	0.6
67.27951	0.5
69.03432	1.1
69.13090	1.7
69.13516	2.0
77.02735	0.5
85.02895	2.9
91.05504	1.1
97.02886	0.7
100.53896	0.5
105.07033	1.2
109.06512	0.8
119.08557	1.4
125.05959	0.7
129.07031	4.3
131.08534	0.8
133.06508	1.0
133.10130	0.6
137.05975	25.3
139.03961	0.7
139.07549	1.2
140.07060	1.5
140.50850	0.6
145.05022	0.8
147.08040	6.9
149.02290	0.9
150.09151	0.7
151.03951	0.6
151.07558	4.0
156.10144	0.8
157.06477	1.3
160.05203	2.3
161.05939	0.8
163.03847	0.8
165.05440	1.5
165.09103	4.2
167.06993	1.2
175.07533	11.0
176.07957	0.8
189.09190	0.7
193.08600	100.0
194.09000	4.3
205.04970	0.7
210.15765	0.8
211.09656	44.4
212.09995	2.2
217.08624	1.8
222.07661	0.5
228.12320	4.9
235.09628	0.8
258.21091	0.6
259.09570	1.1
277.10681	1.7
390.18536	3.6
391.15509	4.9
394.30771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
55.05521	2.3
62.27935	1.5
65.14889	1.1
69.03431	1.8
79.05504	4.7
81.03403	2.0
81.07067	1.6
85.02906	7.9
91.05452	1.6
97.02930	1.9
99.32468	1.3
103.05464	3.7
105.07034	30.9
107.04960	19.0
115.05466	6.2
118.04213	2.2
121.06566	1.5
123.04417	24.4
127.03896	2.2
131.04958	1.6
133.06485	31.8
133.07492	1.6
137.05978	49.2
139.03929	7.2
143.06050	3.5
147.07971	2.0
149.05974	30.5
149.09557	1.7
150.09164	13.3
151.03926	2.2
161.05980	60.7
162.06387	2.4
162.22411	1.5
163.03883	1.8
163.07440	2.0
165.09135	17.3
168.05376	1.6
175.07576	5.6
177.05539	2.3
177.09172	3.7
193.08601	100.0
193.12198	13.5
194.08969	4.3
197.30418	1.4
204.10251	3.9
205.04933	1.4
211.09671	47.2
211.13219	22.5
222.11259	17.8
229.08794	1.7
272.89001	1.3
277.10971	1.6
277.14182	1.5
327.40970	1.3
358.24600	1.5
372.14462	2.7
390.15308	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01857	2.3
57.03408	0.9
59.34666	0.6
67.05492	1.9
69.03420	1.2
69.07054	1.0
69.24596	1.9
69.25011	1.8
76.22385	0.6
79.05487	6.0
81.07042	0.7
85.02888	3.4
85.06529	2.7
91.05450	1.2
93.07026	1.3
95.04966	2.0
95.08599	1.5
97.02917	1.0
103.05463	7.7
105.03395	18.2
105.04504	0.9
105.07025	58.1
106.03730	1.1
106.07363	1.5
107.04936	2.6
107.08584	1.3
115.05463	10.3
116.05759	0.9
118.04130	3.9
121.10142	1.5
123.04391	1.1
125.05980	0.9
125.09631	2.4
126.09983	1.5
131.04933	2.1
133.06485	59.2
134.06813	2.0
135.04509	0.7
135.08005	0.9
137.05971	1.6
139.03951	1.0
143.04942	1.3
143.06033	6.3
149.02289	1.4
149.05934	0.8
149.09558	2.2
150.10005	3.5
153.05423	1.2
153.09052	0.8
154.09492	1.0
161.05969	100.0
162.06235	3.2
163.07520	2.0
167.07079	0.9
179.07016	5.5
191.14243	0.7
192.14594	2.0
193.08595	62.5
194.08949	2.7
195.10150	1.3
197.08057	4.2
209.15321	2.5
210.15759	4.4
211.09549	1.1
226.07109	1.3
240.90305	0.7
334.97119	0.7
374.70010	0.8
390.11456	2.1
390.17566	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03428	0.6
61.02932	0.6
69.03426	0.9
69.08064	2.3
69.08472	0.8
81.03416	0.7
81.07070	0.5
85.02905	5.8
91.05486	0.7
93.07041	0.6
97.02891	1.4
98.23537	0.9
105.07049	0.9
107.08606	0.7
109.02888	0.6
117.07008	0.5
121.06547	0.6
121.10081	0.7
123.08060	0.5
125.06027	0.4
127.03901	1.0
133.06490	1.1
135.08054	0.5
136.05209	0.7
137.05986	5.9
137.09651	0.8
145.04990	1.4
147.08069	0.9
149.02379	1.1
150.06744	0.5
151.07544	100.0
152.07883	3.2
161.05991	1.2
165.09122	20.1
166.09337	0.6
175.07463	0.5
180.08685	0.5
187.07837	0.5
193.08606	82.4
193.12222	5.4
194.08936	3.5
211.09654	80.7
212.09929	3.5
217.08701	0.8
229.11674	0.8
232.52318	0.4
235.09738	0.5
277.10712	0.6
353.69177	0.4
390.17056	0.8
391.17136	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05479	0.9
69.03436	1.2
71.04985	1.2
71.69688	0.8
79.05521	1.1
81.03406	1.3
81.07062	1.4
83.05036	0.9
85.02905	8.8
91.05486	4.1
95.08575	1.4
97.02885	1.7
99.04449	6.7
105.07034	2.9
107.08578	1.5
115.05450	1.8
117.06974	5.0
123.04429	6.8
127.03918	2.2
131.08577	3.9
133.06500	4.1
133.10129	2.1
137.05963	19.3
139.03935	1.0
145.04971	1.2
147.08028	1.3
149.02319	2.7
149.09604	1.1
151.07532	6.0
160.05190	2.6
161.05952	13.5
165.09103	5.1
175.07542	6.2
175.11188	4.6
193.08595	100.0
193.12212	9.2
194.08994	4.6
211.09637	46.6
211.13185	1.6
212.10054	2.2
390.17862	2.0
391.17224	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57337	1.2
56.96567	41.5
67.05462	1.1
71.22659	1.7
71.95252	3.1
79.05457	2.2
93.07033	1.2
97.96806	2.2
98.97622	1.2
105.00201	1.5
110.97561	3.5
128.98587	3.7
137.02756	1.6
145.01817	1.3
146.99661	2.8
149.02315	2.3
155.03813	2.6
169.05450	1.6
171.03409	1.9
173.04813	2.3
181.05383	2.3
183.06956	2.6
185.04807	4.0
189.04419	2.3
193.05397	1.5
195.06865	2.6
197.08513	1.7
199.06432	8.7
201.07997	4.6
203.05879	2.5
205.07408	1.3
211.06413	5.5
213.07974	27.7
215.05852	1.7
217.07532	8.7
225.07938	5.1
227.09589	2.7
229.07478	44.4
230.07813	2.5
231.06847	2.0
231.09038	33.0
232.09276	2.0
236.09541	2.9
241.07407	1.6
243.09053	19.0
245.10538	1.6
247.08507	23.9
248.08725	1.4
252.09009	4.7
255.09016	2.1
261.10144	11.5
266.10687	2.1
279.12717	1.5
297.13742	4.8
315.14627	2.4
321.17319	1.6
331.15848	13.8
349.16855	100.0
350.17340	8.2
367.17911	39.0
368.18317	2.5
372.18433	3.6
390.19553	13.4
391.20520	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	390.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
64.02320	0.3
69.07070	3.0
72.59409	0.3
75.33841	0.3
77.03897	0.4
77.61717	0.3
79.05484	1.1
81.07055	0.7
84.39317	0.3
85.02886	2.5
88.41404	0.3
95.04989	0.7
97.02904	0.5
100.11252	1.1
107.04947	1.3
109.02864	0.6
109.06514	1.3
110.35584	0.4
110.59699	0.4
122.92788	0.4
125.05979	2.7
127.03905	0.8
137.05972	100.0
138.06319	3.4
145.04933	0.5
151.07495	1.7
182.15523	0.5
193.12233	80.1
194.12556	4.6
211.13283	15.4
212.13626	0.8
217.12262	0.4
227.17743	0.4
232.75009	0.4
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
53.05341	0.6
62.87971	0.6
69.03423	0.9
69.07063	2.6
70.45298	0.6
70.70874	0.9
79.05487	1.1
81.07085	0.7
85.02915	1.2
107.04945	2.3
116.09933	0.6
125.05997	1.2
137.05975	100.0
138.06290	2.9
139.07520	4.7
151.07538	1.5
175.07591	0.8
193.12247	67.2
194.12671	3.7
211.13292	22.2
212.13628	1.3
217.12222	1.4
235.13435	0.6
259.53333	0.6
278.27847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.1
53.03941	1.5
55.01865	1.0
55.05478	0.9
57.03415	1.0
61.02922	1.1
63.48064	0.8
68.77612	0.6
69.03448	2.1
69.07045	1.5
69.30335	4.2
77.03918	1.5
79.05494	4.7
79.50050	0.7
81.03413	2.6
81.07065	0.9
85.02905	7.7
87.00813	2.5
91.05471	2.6
93.07056	0.8
95.04965	2.4
97.02869	3.7
99.04469	0.8
102.16960	0.8
103.05454	1.9
105.01853	2.8
105.04489	1.1
105.07024	8.8
106.07375	1.0
107.04950	80.9
108.05286	2.1
109.02854	1.7
109.06517	1.9
115.05465	2.0
121.06496	3.0
123.04413	6.8
127.03889	5.1
129.07002	3.0
131.04968	1.0
131.08578	1.0
133.06505	11.1
137.05972	100.0
138.06342	3.0
139.03915	4.2
143.06023	1.2
145.04936	2.8
147.04454	1.0
147.08034	6.9
149.02333	1.2
149.05983	8.6
150.09138	1.6
151.03902	0.9
159.02863	1.0
161.05969	20.1
162.06357	1.5
163.03870	1.6
165.09117	7.2
175.04019	0.9
175.07527	2.1
177.05470	11.0
189.05502	0.9
193.08591	29.3
193.12228	22.8
194.08809	1.0
194.12639	0.7
203.07126	1.7
205.04961	5.4
211.09755	13.1
211.13269	43.3
212.13559	1.8
215.07117	2.1
222.07648	6.7
222.11238	4.7
231.04980	1.0
233.29132	1.0
234.07581	1.0
235.13322	1.1
249.06071	1.1
301.07074	0.7
381.31281	0.9
390.15472	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	390.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27473	0.4
69.07061	0.9
69.13799	1.7
69.14207	0.8
79.05489	0.9
81.07060	0.6
85.02924	1.0
95.04993	0.4
97.02874	0.5
98.22642	0.9
101.28284	0.4
105.06982	0.8
107.04977	1.9
109.06495	0.7
123.04414	0.4
125.06016	1.0
129.55005	0.4
132.90517	0.4
137.05974	100.0
138.06310	3.6
149.02348	0.6
151.07521	1.8
161.05937	1.2
184.82379	0.4
193.12239	64.2
194.12578	2.9
211.13280	12.9
212.13538	0.6
217.12112	0.9
229.12083	0.4
235.13232	1.0
259.13306	0.4
319.15201	0.5
366.64984	0.4
371.37549	0.5
391.18997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61668	0.9
69.07063	3.0
69.52545	2.6
79.05511	1.0
81.07026	0.8
85.02921	1.0
98.22752	1.7
107.04939	1.6
109.06480	0.9
125.05988	1.1
137.05975	100.0
138.06317	3.5
145.05020	0.8
147.51611	0.8
150.25980	0.8
151.07484	1.4
158.40266	0.8
161.05992	0.8
193.12234	70.6
194.12593	3.5
211.13286	26.9
217.12222	1.4
221.11684	0.9
245.11694	0.7
259.13406	1.1
277.14490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.6
69.07050	2.1
69.26237	2.9
70.06580	0.9
73.69334	0.5
79.05487	1.9
81.07038	1.8
85.02899	1.3
91.05515	0.8
95.04945	0.5
98.23482	1.0
107.04928	2.4
109.06520	1.6
125.05991	1.0
135.05489	0.6
137.05968	100.0
138.06281	2.7
144.14540	0.6
149.02319	1.5
151.07539	1.5
177.05444	0.9
193.12231	66.3
194.12531	2.6
211.13274	1.2
235.13383	0.6
293.32230	0.6
307.78809	0.5
319.15323	0.6
390.21664	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	391.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04422	4.1
70.04752	4.6
77.52267	2.0
85.02892	2.2
86.06058	2.3
97.02842	2.6
98.97586	4.3
100.45600	2.3
101.00836	2.7
114.23706	2.2
119.01895	3.2
121.06498	22.3
122.06802	7.1
127.03910	3.1
128.98642	2.6
138.09100	9.7
149.02350	18.6
149.05969	2.8
153.05440	4.6
161.02943	4.3
195.06454	7.5
219.01718	3.7
223.43512	2.2
225.40419	2.6
237.02673	3.9
368.07880	2.6
391.06213	100.0
391.10437	8.3
392.06451	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	391.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84095	0.4
56.94681	0.5
57.20849	0.4
61.02919	0.8
63.60551	0.5
69.03423	2.0
70.68211	0.7
85.02910	2.9
89.36610	0.5
97.02891	1.1
101.34309	0.4
109.02885	0.5
127.03944	1.1
149.02333	0.9
185.04222	0.5
269.09955	29.8
270.10294	1.5
390.26898	0.7
391.13635	100.0
392.13968	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	391.194
Annotation	Arg Glu Ser
Peak:m/z	Relative Intensity
56.45981	0.3
60.07521	0.2
69.03406	0.3
70.68349	0.3
73.02953	0.3
79.65347	0.3
85.02919	0.5
107.04953	0.3
110.98882	0.3
124.20156	0.3
126.36466	0.2
130.94987	0.3
137.06006	0.3
139.03871	0.4
139.23692	0.3
144.04765	0.6
149.02362	1.2
149.05992	0.4
153.01826	0.3
157.71957	0.3
167.03400	0.4
167.07057	1.2
177.05559	0.4
194.11781	0.4
195.06578	0.9
211.73546	0.3
213.07520	1.4
351.06973	0.8
373.18286	0.6
391.19376	100.0
392.19748	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	391.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	3.3
65.67168	0.9
67.05502	3.2
69.52214	3.4
70.06572	1.1
71.08630	1.0
71.17547	1.0
80.94855	2.0
81.07073	1.8
85.06541	1.9
89.48399	1.0
101.09351	0.8
112.95861	1.0
137.05972	13.1
149.02315	4.8
151.07516	1.0
154.89163	0.9
158.95403	1.1
163.07605	2.8
177.09186	1.6
189.01764	0.9
191.58679	0.8
249.14937	2.8
291.19525	2.2
328.32263	1.8
329.32452	1.7
390.35693	6.9
391.24533	100.0
391.35550	7.0
392.24814	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	391.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
57.07075	0.7
57.36592	0.4
64.24247	0.3
66.92397	0.4
67.05494	1.5
69.07088	0.4
79.05467	0.7
81.07056	1.4
83.01099	1.0
87.68470	0.3
91.05463	0.7
93.11803	0.3
95.08598	0.9
105.07042	0.4
109.10132	0.7
111.04198	0.4
112.04955	0.7
123.04430	2.2
127.03638	0.8
131.04893	0.5
137.06015	1.0
142.05975	0.6
149.02347	1.1
153.05481	1.0
154.21918	0.3
155.06895	2.4
159.04420	0.6
161.06062	0.7
163.07568	0.5
167.07019	0.7
168.04179	0.5
171.06308	0.9
173.06013	0.6
177.05585	0.8
177.09106	0.9
183.06537	11.4
184.06972	0.5
186.81236	0.4
187.07550	0.5
191.07031	0.7
193.08611	1.0
205.08600	0.5
207.10057	0.5
209.08026	2.0
219.10268	0.4
223.09714	2.1
233.11845	0.4
234.74828	0.4
235.13371	0.6
251.09164	0.8
256.26361	0.7
261.14761	0.4
265.10733	2.6
291.85522	0.4
293.13608	2.1
317.21066	1.2
331.22681	6.3
332.22870	0.8
338.33307	0.4
349.23660	0.8
359.22330	0.4
366.60480	0.3
391.24542	100.0
392.24869	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	391.2476
Annotation	3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate
Peak:m/z	Relative Intensity
54.22189	15.2
55.05503	38.8
56.72223	13.9
57.07061	47.3
67.05517	23.1
68.04855	14.2
69.07077	29.6
69.40421	75.1
71.08630	24.6
78.00127	15.0
79.05489	31.0
81.07048	71.0
85.06570	22.4
93.07056	24.7
95.08610	45.8
98.22753	33.5
103.35228	18.2
105.07038	15.1
107.08601	23.8
109.51331	15.0
127.03927	40.6
137.05956	32.7
147.80969	17.4
149.02370	37.3
153.05467	70.1
155.07184	19.2
168.04178	27.9
177.05502	29.1
178.93758	16.7
181.04951	42.2
183.06519	100.0
184.53482	20.3
191.07057	23.5
207.10176	19.0
219.21339	15.0
234.96379	16.2
349.23697	22.6
359.22156	27.8
391.24734	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.05502	3.0
56.53514	0.9
57.07062	3.0
67.05511	7.1
69.07076	2.0
70.06583	2.2
70.19273	2.3
71.08602	1.3
79.05490	3.2
80.94827	1.5
81.07051	8.1
83.01300	1.0
88.07618	1.1
91.05460	1.6
93.07027	2.5
95.04935	0.8
95.08602	5.8
97.10143	1.7
97.18024	0.7
99.04512	0.8
102.09126	0.9
105.07014	1.0
105.96160	1.1
109.06514	1.3
109.10138	3.9
117.06963	1.6
123.08136	1.2
123.11732	1.6
129.07005	1.0
130.91745	0.9
131.08580	1.0
137.05977	7.3
139.07542	4.4
140.04662	2.7
146.11710	1.5
147.08037	1.2
149.02368	2.7
151.07541	5.5
153.05496	3.7
155.07034	4.0
157.10094	1.4
159.08026	1.7
161.05942	1.2
163.07573	2.7
167.07040	14.1
168.04181	3.5
173.09581	1.2
175.07553	2.9
177.09100	1.8
179.17903	1.2
183.06532	31.8
185.09622	0.9
187.07542	1.4
189.09142	2.4
191.06995	2.1
191.10669	1.2
193.08643	2.2
201.09102	3.7
203.10710	1.2
205.08580	2.3
207.10156	2.5
214.09828	1.3
215.10689	2.2
217.08725	1.0
217.12227	1.2
225.07596	3.3
228.11331	1.1
229.12274	2.6
232.90393	0.8
233.11784	4.3
235.13284	3.4
243.11313	0.7
243.13783	2.2
249.14713	1.3
271.20459	0.9
285.22205	1.5
299.20065	2.7
303.23193	1.8
313.21542	5.4
317.21088	1.2
328.32156	1.9
329.32352	1.3
331.22672	14.9
371.81638	0.9
390.35718	6.7
391.15778	2.3
391.24527	100.0
391.35617	8.2
392.24817	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	391.2466
Annotation	Epiadejone diacetate
Peak:m/z	Relative Intensity
55.01884	0.9
55.05502	3.0
56.53514	0.9
57.07062	3.0
67.05511	7.1
69.07076	2.0
70.06583	2.2
70.19273	2.3
71.08602	1.3
79.05490	3.2
80.94827	1.5
81.07051	8.1
83.01300	1.0
88.07618	1.1
91.05460	1.6
93.07027	2.5
95.04935	0.8
95.08602	5.8
97.10143	1.7
97.18024	0.7
99.04512	0.8
102.09126	0.9
105.07014	1.0
105.96160	1.1
109.06514	1.3
109.10138	3.9
117.06963	1.6
123.08136	1.2
123.11732	1.6
129.07005	1.0
130.91745	0.9
131.08580	1.0
137.05977	7.3
139.07542	4.4
140.04662	2.7
146.11710	1.5
147.08037	1.2
149.02368	2.7
151.07541	5.5
153.05496	3.7
155.07034	4.0
157.10094	1.4
159.08026	1.7
161.05942	1.2
163.07573	2.7
167.07040	14.1
168.04181	3.5
173.09581	1.2
175.07553	2.9
177.09100	1.8
179.17903	1.2
183.06532	31.8
185.09622	0.9
187.07542	1.4
189.09142	2.4
191.06995	2.1
191.10669	1.2
193.08643	2.2
201.09102	3.7
203.10710	1.2
205.08580	2.3
207.10156	2.5
214.09828	1.3
215.10689	2.2
217.08725	1.0
217.12227	1.2
225.07596	3.3
228.11331	1.1
229.12274	2.6
232.90393	0.8
233.11784	4.3
235.13284	3.4
243.11313	0.7
243.13783	2.2
249.14713	1.3
271.20459	0.9
285.22205	1.5
299.20065	2.7
303.23193	1.8
313.21542	5.4
317.21088	1.2
328.32156	1.9
329.32352	1.3
331.22672	14.9
371.81638	0.9
390.35718	6.7
391.15778	2.3
391.24527	100.0
391.35617	8.2
392.24817	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	391.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.9
57.07079	9.9
65.03925	1.7
67.05509	20.7
69.03401	1.5
69.07069	10.4
70.06581	5.4
70.70158	1.3
70.70522	2.6
71.08631	2.9
79.05499	9.5
81.07057	25.6
83.01321	1.9
83.08630	7.6
88.07635	2.0
91.05486	4.8
93.07037	7.5
95.08610	20.0
97.06516	1.6
97.10146	4.7
100.57716	1.2
105.07027	1.4
107.04932	2.3
107.08601	3.9
109.06520	5.4
109.10168	14.0
111.08026	1.6
117.07032	1.6
119.08585	1.6
121.06497	3.0
121.10129	3.3
123.04400	3.5
123.11697	6.0
124.05190	2.1
125.06033	2.8
128.06276	1.7
129.07030	3.4
131.08554	1.9
135.08093	2.0
135.11682	2.6
137.05980	47.1
139.07529	14.7
140.04692	7.3
141.06937	1.5
143.08542	2.4
145.06448	3.2
145.10124	2.4
147.08133	2.7
149.02336	5.5
149.06050	2.0
151.07541	18.4
151.14803	1.4
152.05809	1.5
153.05469	14.6
155.07047	15.0
155.08420	2.6
157.10162	3.2
159.08061	5.3
161.06015	4.4
161.09592	2.4
163.07533	6.6
167.07039	47.4
168.04187	10.3
169.10088	1.7
171.08038	2.3
172.08743	2.3
173.05974	2.6
173.09680	2.5
175.07594	11.7
177.05444	2.6
177.09128	10.3
179.07024	2.1
179.17953	3.0
183.06526	100.0
183.11655	3.1
184.06877	3.4
187.07587	4.1
187.11172	2.3
188.08322	2.7
189.09106	8.4
189.12762	2.5
191.06992	8.0
191.10677	3.8
193.08516	8.7
201.09068	12.8
202.09763	1.6
203.10713	7.2
205.08594	8.7
205.12216	4.4
207.06822	1.6
207.10143	9.7
213.07475	2.3
213.09229	2.2
214.09917	2.1
215.10678	8.2
217.08780	1.9
217.12238	8.9
219.10158	5.3
221.11609	1.9
225.07567	11.6
227.14441	1.8
228.11263	1.5
229.12207	8.9
231.13777	3.2
233.11702	9.4
235.13211	10.3
243.13809	4.5
247.13185	2.2
249.11154	2.3
249.14882	3.2
261.14932	2.0
271.20679	3.2
284.29489	4.0
285.22110	4.5
285.29745	3.4
299.20090	9.7
303.23206	5.8
313.21640	20.6
314.21881	2.6
317.21228	2.7
328.32025	4.8
329.32388	5.0
331.22681	51.3
332.23102	4.5
355.26257	3.2
359.21988	1.8
373.23563	2.3
390.35742	22.7
391.25400	3.6
391.36139	20.9
392.24661	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.248
Annotation	Sugikurojin D
Peak:m/z	Relative Intensity
52.20803	1.0
55.05501	4.5
57.07082	3.0
58.13264	1.2
61.02280	1.4
66.91171	1.1
67.05506	9.8
67.95499	1.2
68.84174	1.2
69.07072	3.4
69.59148	4.2
71.08620	2.5
79.05482	3.6
79.08755	1.3
81.07055	11.0
83.08611	3.1
91.05467	2.3
93.07037	2.0
95.04967	5.1
95.08600	9.0
97.10171	1.6
98.22826	2.8
103.05479	2.2
105.07052	1.4
107.04952	2.9
109.06538	3.0
109.10143	3.6
117.07034	2.6
121.06494	1.8
121.10144	1.6
122.03662	2.6
123.04425	19.9
123.11705	3.0
125.06009	2.4
131.04950	4.0
133.06422	1.3
135.08003	1.6
137.05959	7.3
139.03836	1.5
139.07558	3.6
140.04677	5.1
145.06479	4.4
147.08093	2.9
147.50386	1.2
149.02345	4.1
149.05959	1.6
149.09691	1.5
151.07510	3.4
153.05479	5.4
155.07036	11.8
159.04440	4.0
159.08017	1.4
161.06020	3.1
163.03920	2.1
163.07533	4.6
167.07069	6.8
168.04182	5.4
173.06009	5.3
175.07547	4.0
177.05495	5.0
177.09105	4.8
177.16432	1.3
179.07048	3.2
183.06519	100.0
184.06883	4.6
187.07588	2.4
189.05435	1.3
189.09119	1.8
191.07048	7.3
191.10670	1.5
193.08553	7.0
195.06618	1.5
201.09134	4.3
203.10736	1.8
205.08611	8.2
207.06445	1.5
207.10176	6.8
208.07336	1.7
209.08086	16.7
215.10660	2.1
219.10199	2.8
221.11749	2.2
223.09627	22.4
225.07593	5.6
233.11768	4.8
235.09515	2.1
235.13280	8.4
247.13161	1.6
249.14821	3.7
251.09148	10.8
253.14404	1.5
256.26285	1.3
259.07797	1.2
261.14874	5.2
265.10687	15.9
271.20493	1.4
293.16901	1.3
299.20068	2.9
317.21118	4.8
331.22659	47.3
332.23004	3.3
349.23657	9.3
390.35519	1.7
391.24542	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	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.0
57.07050	7.2
67.05497	18.3
69.03394	4.8
69.07038	9.8
69.95128	8.8
71.04943	2.7
79.05490	22.7
81.07056	38.3
81.07517	4.8
83.04942	4.9
83.08596	4.0
85.06530	4.7
89.15457	2.6
91.04957	2.7
91.05478	38.8
93.07044	38.9
95.04433	2.7
95.04972	33.4
95.08611	22.8
97.06486	4.2
103.05419	3.1
105.04485	3.9
105.06380	3.8
105.07026	65.7
107.04914	3.1
107.08604	21.8
109.06477	9.9
109.10112	5.5
111.24860	2.9
115.05316	3.2
117.07029	18.2
119.04958	3.8
119.07764	3.1
119.08575	48.9
121.06452	10.1
121.10168	17.7
123.08015	4.4
123.96684	2.7
128.06169	10.3
129.06979	15.7
130.07709	10.4
131.08551	23.1
133.10088	15.1
137.05945	6.1
141.06950	7.6
142.07756	18.1
143.08578	31.6
144.09285	5.5
145.06462	2.8
145.09175	2.9
145.10123	34.9
146.10414	2.5
147.07980	9.6
147.11641	11.2
149.02281	8.5
149.09561	7.0
151.07578	3.5
153.05386	3.9
153.06938	2.8
155.07227	2.4
155.08531	15.2
156.09271	11.0
157.09087	2.6
157.10130	36.3
159.08014	9.9
159.11650	18.4
161.09554	6.8
161.13252	3.5
165.06929	5.0
166.07684	3.1
167.06953	10.7
167.08496	8.6
168.04022	2.8
168.09280	5.5
169.10127	20.5
170.10851	5.7
171.11732	17.1
172.12247	2.5
173.09578	4.8
173.13174	10.0
175.11183	3.7
177.09013	2.5
179.08427	9.2
180.09219	3.8
181.10057	12.8
182.10832	5.2
183.06517	24.7
183.11708	14.9
185.09647	4.8
185.13135	5.7
187.11096	3.6
191.14165	4.1
192.09285	6.1
193.10153	13.3
194.10771	9.6
195.11693	15.6
196.12381	3.9
197.09442	3.4
197.13185	12.4
199.11133	5.5
199.14667	4.5
201.12671	3.3
206.10887	9.1
207.11699	17.5
208.12294	7.6
209.13260	13.2
211.11214	5.8
211.14729	8.8
213.12561	3.8
215.14214	3.2
218.10748	3.7
219.11519	7.7
220.12398	5.0
221.13152	10.8
223.11142	3.2
223.14720	10.4
225.07512	3.1
227.14340	4.5
232.12375	3.0
233.13129	9.6
233.15205	6.0
234.13940	3.1
235.14775	4.1
237.16301	5.4
241.15845	2.7
243.11617	2.9
245.13185	6.6
247.14738	3.5
249.16228	9.6
251.17892	3.7
259.14536	2.9
260.15512	3.6
261.16357	3.0
263.17804	5.1
264.18698	2.6
267.17453	3.9
273.16058	3.3
277.19116	4.1
282.19547	6.8
287.17435	2.6
291.17227	3.9
295.20401	3.5
297.18475	6.2
329.32339	3.9
331.12762	3.9
331.22653	12.6
373.24792	8.6
391.14883	14.5
391.24731	100.0
391.35556	14.0
392.15530	2.5
392.25720	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	391.284
Annotation	3-Hydroxyirisquinone
Peak:m/z	Relative Intensity
53.04573	2.0
55.05509	7.9
55.62478	1.8
57.07068	6.8
67.05508	5.9
69.03442	1.7
69.07061	4.2
69.65606	5.9
71.08621	2.6
73.01001	2.0
78.14046	2.1
79.05477	5.1
81.07056	10.6
81.56448	2.0
83.01315	2.2
83.08613	4.2
89.06025	5.5
91.05494	4.7
95.08606	5.6
97.06509	2.1
97.10149	3.0
98.23147	7.1
109.06512	8.0
109.10184	2.1
110.79910	2.0
119.03790	1.9
124.33314	1.9
125.06006	2.6
137.05972	29.1
139.03885	6.4
139.07515	12.0
153.05449	39.7
154.06236	17.8
155.07047	3.3
161.91852	1.8
167.03403	22.5
167.07040	30.0
168.04012	2.2
169.08588	17.9
177.05513	6.7
177.09102	3.0
181.04979	11.1
182.05742	23.1
183.06538	26.7
191.07054	3.8
195.06447	2.8
197.08075	100.0
198.08385	6.2
204.81866	2.1
205.08598	2.4
219.10199	3.2
331.26395	3.2
332.22104	2.6
359.25848	3.5
391.28207	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2844
Annotation	Trifarin
Peak:m/z	Relative Intensity
53.03924	0.3
55.05512	3.9
57.07060	1.1
61.58467	0.2
65.03944	0.4
67.05504	3.6
69.07066	5.3
69.35697	1.1
71.08636	0.5
79.05490	1.0
80.94848	0.4
81.06617	0.5
81.07055	4.5
83.01335	1.2
83.08621	2.7
91.05483	1.6
93.07044	0.6
95.08603	3.0
97.10149	1.9
98.23102	1.2
98.63026	0.3
105.97142	0.3
107.04982	0.4
107.08606	0.7
109.06495	2.4
109.10184	1.3
111.08055	0.3
111.11711	0.6
112.53027	0.3
117.07013	0.3
121.06501	0.7
121.10149	0.3
123.04382	0.4
123.11707	0.7
125.06001	1.8
127.03925	0.3
131.08521	0.3
135.08009	0.4
137.05971	100.0
138.06323	3.9
149.02307	0.3
149.09602	1.5
151.07544	5.1
153.05461	0.4
159.08089	0.6
161.09634	0.7
163.07535	12.5
164.07864	0.8
165.09134	0.4
167.03362	0.4
177.09100	28.5
178.09380	1.3
179.07080	0.7
179.10672	0.4
191.10672	2.5
197.81711	0.3
201.12727	0.4
205.12299	0.4
207.13736	0.3
219.10193	1.7
235.16913	0.4
249.18523	0.6
313.25174	0.9
327.80252	0.3
331.26285	31.6
332.26614	3.1
347.87775	0.3
349.27347	16.6
350.27530	1.8
362.59351	0.4
373.27213	0.4
391.24463	0.2
391.28439	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	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57355	0.8
55.01862	0.9
56.96571	0.7
61.02922	1.4
69.03417	2.0
69.33119	4.2
70.06580	1.7
71.08630	0.9
79.05497	1.5
81.03421	1.6
81.22906	0.7
85.02890	7.0
90.66502	0.8
97.02888	2.1
98.97579	6.0
107.04956	7.6
116.98628	2.1
121.06479	0.9
123.04432	1.1
124.05217	0.9
125.06040	1.1
134.99672	0.8
139.03844	1.3
145.04979	1.6
146.99725	0.7
148.26143	0.8
149.02335	5.7
151.07541	4.3
152.04640	2.1
153.05447	5.0
158.99626	2.9
164.15321	0.6
167.07034	100.0
168.07391	3.5
177.00662	2.1
180.08698	1.6
181.04984	3.6
195.06413	3.7
198.05289	1.1
213.07573	57.0
214.07936	2.2
219.01808	0.9
245.27403	0.8
267.56952	0.8
299.64954	0.9
326.32227	0.7
351.09525	1.4
370.16702	0.8
392.07214	2.1
392.16483	4.6
393.11166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.7
70.50092	0.9
70.94716	1.3
76.02225	1.7
79.05496	2.3
81.03412	1.2
85.02884	7.0
93.15897	1.0
95.05007	1.2
97.02866	2.3
107.04940	13.0
116.94037	0.9
117.03735	2.3
125.05991	10.8
127.03850	1.7
135.04407	11.4
149.02354	6.0
149.05981	1.6
150.02759	1.0
151.03873	1.4
152.04698	3.3
153.05464	66.1
154.05779	3.0
163.03908	30.9
167.03333	1.4
167.07037	27.5
168.07390	1.2
173.70755	1.1
177.09131	2.5
194.11853	1.2
195.06525	100.0
195.10173	2.8
196.06876	4.2
213.07588	22.9
214.07895	1.2
230.13855	4.1
245.09569	1.5
392.13449	1.7
393.11646	7.0
401.82120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26601	1.0
55.01877	1.0
61.02908	1.0
65.03948	2.6
69.03419	2.3
73.73096	0.9
77.84781	0.9
79.05483	2.0
81.03419	1.1
85.02903	11.6
91.05450	1.3
93.03396	6.1
95.05029	1.1
97.02918	4.4
105.01827	1.1
105.38385	0.9
107.04949	4.4
109.02892	2.2
111.04476	4.7
119.04958	1.6
121.06528	1.9
125.05991	17.2
127.03918	3.8
135.04422	3.7
139.03873	1.0
140.04263	1.0
145.04944	3.1
149.02327	6.3
149.05983	34.9
150.02679	1.8
150.06358	1.7
151.03903	1.3
151.07526	1.0
153.05470	57.0
154.05725	1.3
163.03909	3.7
167.07034	21.6
177.05469	3.8
195.06526	100.0
196.06897	5.3
213.07588	8.2
219.06531	1.2
231.06302	1.7
254.85638	1.0
261.07581	1.5
273.43585	1.0
392.07288	5.3
393.06564	1.6
393.11557	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	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01864	0.7
57.03418	1.0
61.02938	1.3
69.03416	2.3
78.04739	0.6
79.05492	2.9
81.03433	1.2
85.02905	9.1
91.05482	1.4
92.68607	0.6
93.07069	0.6
95.04951	1.1
97.02895	2.3
99.04455	0.6
103.05465	3.2
105.07028	2.3
106.04213	0.7
106.83794	0.6
107.04951	35.6
107.08595	1.2
108.05273	2.1
109.02944	0.8
110.18799	0.6
115.05454	1.1
117.06976	0.9
120.05711	1.1
123.04433	1.8
123.07994	0.7
124.05230	1.1
125.05994	0.9
126.01074	1.8
127.03896	2.1
129.61461	0.7
131.04933	1.1
135.08058	9.2
137.05981	1.2
144.02136	1.7
145.04941	0.6
145.07553	1.2
149.05975	1.0
149.09628	0.6
151.03821	0.9
151.07500	0.8
152.04695	0.8
154.06253	1.4
163.07541	26.2
164.07913	1.0
167.07033	74.3
168.07387	3.1
177.09122	1.0
180.07837	2.4
181.08534	0.9
195.10161	22.5
196.10471	1.4
213.11214	100.0
214.11551	4.0
243.14624	0.6
369.00525	0.6
393.20837	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	1.0
56.96569	40.5
57.07075	2.1
70.06592	1.7
71.95270	1.4
81.07034	1.5
83.41599	1.0
95.08621	1.2
97.96795	1.6
98.97556	1.3
100.59219	1.0
105.00185	1.4
107.08610	1.3
110.97573	1.8
125.79456	1.1
128.98599	2.6
137.02773	2.3
149.02332	1.6
153.02194	1.9
155.01003	3.2
155.03831	1.8
157.01703	1.0
167.03868	1.9
171.03264	1.5
173.04886	3.3
181.05386	3.0
183.03206	1.5
183.06929	2.0
185.04916	3.6
185.08623	1.5
189.04308	1.2
195.06918	2.8
197.08615	1.4
199.06461	9.5
201.07976	3.6
203.05951	3.3
211.06357	5.8
211.25787	1.2
213.07999	33.7
213.09944	2.4
215.05989	1.2
217.07480	10.5
219.09085	2.1
225.07986	3.3
227.09534	2.4
229.07481	56.7
230.07918	2.0
231.09061	32.8
236.09657	2.4
243.09033	18.8
244.09285	1.2
245.10577	2.2
247.08540	32.5
248.08957	1.4
252.09024	6.1
254.10617	1.8
261.10110	11.3
263.34106	1.1
266.10577	2.3
295.12253	1.1
305.17694	1.3
309.17621	1.1
323.18970	1.5
333.17294	15.0
351.18423	54.8
352.18768	4.4
357.20215	1.5
369.19504	100.0
370.19879	7.6
374.19955	5.0
376.26080	1.7
387.20285	3.7
391.36276	1.5
392.12476	1.2
392.21091	17.3
393.21570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87305	1.2
55.05510	6.8
57.03442	1.7
57.07087	11.0
58.56739	1.5
67.05502	6.8
69.01003	1.3
69.07078	4.7
69.16791	5.2
69.17209	3.4
71.08646	6.8
79.05482	2.2
81.07069	5.5
83.08616	3.6
85.10180	2.9
91.05488	1.5
93.03365	1.3
93.07040	1.5
95.04990	2.1
95.08601	8.0
98.98471	12.7
105.07030	1.5
109.10191	2.1
118.06538	3.2
122.05954	2.2
123.04443	3.2
123.06815	3.1
124.07603	5.2
126.03727	1.8
131.36142	1.4
136.07690	1.7
137.05952	5.0
146.06026	4.2
150.03668	6.9
151.06288	5.8
152.07069	5.8
153.07838	4.0
154.03227	14.0
155.01038	19.0
155.04022	8.9
156.04790	10.5
158.70088	1.5
161.05983	4.0
162.03619	2.0
163.02104	3.1
163.04485	2.4
164.05356	1.5
164.07066	1.8
174.05510	2.4
175.06264	5.7
176.07059	4.8
177.05481	2.7
178.03217	10.6
178.04823	1.6
178.08598	3.0
179.01656	1.5
180.04803	7.3
182.02695	10.0
182.06409	2.2
183.03467	5.7
184.04277	21.0
189.05431	14.2
190.03230	2.6
191.07045	1.6
192.04768	8.5
192.06546	3.5
192.10210	4.4
193.03172	2.4
193.07269	2.4
194.02728	2.0
195.03516	4.5
196.04333	2.3
207.06514	9.3
208.04274	38.7
209.04819	2.1
210.05870	6.4
218.06157	2.0
222.05940	1.7
226.05336	22.1
227.05762	1.7
232.07880	3.5
234.05843	1.7
236.07402	2.3
239.23621	2.1
297.83624	1.5
302.19424	5.9
315.21869	4.2
315.25861	1.5
317.23315	3.4
327.99396	1.5
330.18909	2.4
347.25232	1.5
349.20691	6.3
356.20471	3.1
374.21451	30.6
374.26254	2.7
375.21451	2.0
375.25565	2.0
392.22491	100.0
392.27856	27.5
393.08438	1.5
393.22980	13.0
393.27875	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	392.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	2.8
67.05498	2.0
69.07059	2.1
71.08638	2.6
75.19508	1.3
81.07054	3.3
89.06026	3.8
94.74773	1.3
95.04985	3.0
95.08624	2.1
95.96777	1.4
98.23438	3.8
104.32391	1.3
123.04428	11.7
139.03870	9.2
141.05481	4.9
147.84119	1.6
152.04703	1.9
153.05505	3.4
155.01041	1.9
163.03943	6.3
167.03410	6.8
168.04253	1.8
169.04964	31.1
177.05479	4.4
182.05782	7.3
183.06549	12.3
184.06859	3.3
195.12369	2.5
260.78162	1.6
303.19485	1.8
316.35645	1.7
350.24503	100.0
351.24799	10.2
361.19827	3.2
376.16241	2.8
377.17444	2.1
391.19012	1.6
392.19763	18.8
393.22229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.3
55.66016	0.6
55.93539	0.8
57.03426	1.2
57.07079	10.3
60.88985	0.6
62.59423	0.5
65.03953	0.6
67.05508	7.8
68.99784	0.9
69.07076	10.6
69.58454	1.1
69.58799	1.4
71.04958	0.5
71.08632	5.3
79.05502	2.7
81.07062	9.0
83.08623	7.7
85.10187	4.0
91.05486	2.0
93.07048	2.6
95.04967	1.5
95.08602	8.8
97.10175	4.1
98.98470	12.2
105.07054	1.5
107.08601	1.8
109.10166	3.9
111.11736	2.4
116.88197	0.6
117.07044	0.9
119.08591	1.4
121.06513	1.0
121.10152	2.1
123.04434	100.0
123.11718	1.6
124.04745	3.2
125.05970	1.4
125.13194	0.7
129.07001	0.7
133.06541	0.7
135.11670	1.1
137.05943	1.7
137.13304	0.7
143.08601	1.0
143.14365	0.5
145.10123	1.1
147.04399	0.8
149.05986	9.5
151.07559	1.0
153.05473	1.2
155.01053	22.0
157.10121	0.8
161.05975	13.4
163.07613	2.8
164.07036	0.9
165.04221	1.1
165.05490	9.1
171.11598	0.5
175.07550	5.9
177.09108	1.1
179.07039	3.9
189.05522	1.2
189.09119	14.4
191.10670	9.5
191.17949	1.6
203.10687	10.9
205.12241	1.7
217.12216	5.3
219.13947	0.7
231.10223	2.7
231.13817	1.6
233.11745	0.8
235.13345	0.6
239.23682	2.0
245.11806	1.4
245.15366	0.8
247.16872	0.7
259.13397	0.8
315.23187	36.9
316.23529	3.2
333.24240	15.8
334.24783	0.8
357.24121	4.6
375.25314	5.5
376.25803	1.3
392.27942	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	392.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.07067	2.1
69.07066	2.0
69.42801	2.2
71.08633	1.1
83.08616	0.9
123.04427	100.0
124.04792	2.6
137.05966	2.7
151.07690	0.6
165.09138	1.3
168.71831	0.7
179.10678	0.7
207.13785	0.9
291.23163	75.3
292.23550	6.3
333.24234	16.5
334.24585	1.1
392.27747	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	393.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	100.0
69.18728	28.3
91.05470	11.1
92.17047	5.8
98.97604	14.4
105.07015	7.9
107.08617	10.3
116.98629	12.0
129.02205	6.4
134.99677	6.5
137.02679	6.5
147.03284	16.0
149.02390	10.6
155.03709	9.4
161.75404	5.5
168.13872	5.3
171.03291	5.9
181.05424	9.6
189.04378	17.3
207.03375	7.0
207.05319	6.8
225.04337	9.9
244.03874	7.3
244.64902	5.9
245.08527	53.5
247.06401	8.3
263.09570	51.3
265.07465	39.3
281.10608	38.6
283.08432	17.7
289.07617	5.9
289.10516	13.4
299.11572	29.3
307.08591	34.0
314.44250	5.5
325.09567	42.8
335.18140	6.6
392.28772	22.0
392.77170	7.5
393.11319	57.3
393.19006	58.6
393.28882	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67218	0.7
62.35454	0.6
67.05501	1.1
69.03444	1.1
69.07079	0.8
69.61299	2.1
78.64224	0.7
78.95037	0.6
79.05492	0.7
81.03429	1.0
81.07055	1.1
85.02913	1.2
91.05490	1.4
99.04454	0.7
105.07036	4.0
107.08604	1.6
109.02866	1.2
109.10146	2.3
121.10166	1.1
123.11674	0.9
124.07603	0.8
127.00037	0.7
145.10143	1.4
150.07776	4.9
165.07074	0.7
177.78098	0.7
179.12114	0.6
197.11673	0.8
248.15100	4.7
265.42850	0.7
271.04395	0.9
289.10471	3.6
307.11652	1.0
347.31879	0.7
349.12518	10.0
375.17679	1.2
393.11533	100.0
393.19611	2.7
394.11838	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20046	0.2
69.28834	0.8
79.05585	0.2
91.05495	0.2
107.08625	0.3
109.10136	0.2
116.99062	0.2
135.13702	0.2
136.41118	0.2
137.06010	0.2
138.82503	0.2
148.99284	0.2
150.07779	1.7
159.13419	0.2
182.27905	0.2
203.05171	0.2
248.15117	1.8
307.11365	0.2
349.12558	2.8
393.11584	8.1
393.18820	100.0
394.11887	0.7
394.19202	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	393.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77121	0.4
69.20112	1.3
69.20531	1.1
126.64625	0.5
137.05992	0.6
150.26306	0.4
151.11981	0.4
233.30626	0.4
271.04218	1.1
307.11490	3.1
331.11588	0.5
349.12585	25.5
350.12753	1.8
361.45950	0.4
379.46567	0.5
393.11386	100.0
393.19403	3.6
394.11728	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	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14820	0.3
70.22796	0.6
72.95152	0.4
110.30113	0.3
135.11780	0.3
137.06088	0.4
150.94312	0.3
170.99706	0.4
173.09937	0.4
185.04099	0.7
201.59596	0.3
215.08984	0.4
231.06314	6.6
231.08524	0.3
232.06589	0.4
319.91385	0.4
336.40042	0.4
373.87985	0.3
392.19766	0.6
393.11526	100.0
393.19894	3.6
394.11890	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	393.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.5
55.55132	0.2
67.05480	0.4
68.05025	1.3
69.03402	0.4
70.06586	0.6
71.04951	0.4
71.42035	0.3
75.04469	0.3
79.05469	0.7
81.03394	0.8
81.07051	0.4
82.06569	1.3
91.05466	1.7
95.08560	0.4
96.08113	0.6
104.60326	0.2
107.04961	0.3
107.08577	0.4
109.02834	0.3
109.10134	0.5
124.05030	0.8
124.07588	2.3
125.05963	0.3
126.00751	0.3
127.03918	0.6
130.04990	0.6
133.10046	0.3
137.05968	2.0
140.03374	0.9
142.08640	1.2
148.05092	0.4
149.04550	0.8
166.07266	0.5
171.06604	0.5
172.06004	0.8
178.04993	0.3
179.10698	1.1
189.06503	0.6
189.10045	0.4
197.11745	1.6
201.06390	1.6
202.07190	2.0
203.08000	1.9
204.08784	6.1
205.09035	0.5
210.07635	0.5
212.09233	0.3
215.07985	1.8
216.08791	100.0
217.09276	5.7
218.10355	5.7
219.10770	0.4
225.06439	9.6
226.07204	3.1
227.08041	1.4
228.08913	1.3
229.09483	1.3
230.10339	10.4
231.10547	0.4
240.08781	56.6
241.09348	4.6
242.10274	0.7
246.09851	7.3
247.10075	0.5
249.08263	0.3
255.09851	0.4
258.09863	2.7
268.08316	5.4
268.11716	0.7
269.08530	0.4
272.11456	3.5
283.09406	1.3
286.09460	0.3
286.12851	1.1
300.10886	54.3
301.11234	3.3
311.08777	1.0
315.11932	1.0
333.13062	2.6
343.11481	2.0
361.12518	6.2
362.12854	0.6
375.14105	5.7
393.15134	35.7
394.14731	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1521
Annotation	Cys Arg Asp
Peak:m/z	Relative Intensity
54.21690	0.3
67.55952	0.3
67.81904	0.4
69.47397	1.4
70.49983	0.3
70.52145	0.3
81.00939	0.3
81.07018	0.4
95.08599	0.6
107.08572	0.6
111.08114	0.4
158.25130	0.4
177.16371	0.5
185.04160	0.8
195.17372	1.6
213.18501	0.7
231.09935	2.4
231.19418	0.5
243.81546	0.3
249.21477	0.3
393.15094	100.0
394.15530	6.9
394.20187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.152
Annotation	Cys Arg Asp
Peak:m/z	Relative Intensity
52.67974	0.3
59.05368	0.3
70.69242	0.3
70.69575	0.3
85.85366	0.2
91.05482	0.5
94.29023	0.3
137.33191	0.3
175.07623	0.7
203.05203	1.4
231.09909	0.7
233.22079	0.3
254.14740	0.3
393.15170	100.0
394.15546	6.1
398.07892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.152
Annotation	Cys Arg Asp
Peak:m/z	Relative Intensity
50.58392	0.3
53.65833	0.3
54.09269	0.2
61.86260	0.3
68.60455	0.3
69.07063	0.6
69.41425	0.5
69.41801	0.5
148.07118	0.3
203.05241	5.1
203.07010	0.5
335.39478	0.3
393.15155	100.0
394.15530	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	393.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45931	0.3
62.06070	0.4
71.10925	0.4
71.83765	0.3
73.63502	0.3
91.50587	0.3
91.59245	0.3
107.69044	0.3
129.46892	0.3
158.04271	0.3
185.04218	1.0
209.94078	0.3
231.09908	2.3
261.37976	0.4
393.15103	100.0
394.15451	7.7
394.20111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.152
Annotation	Cys Arg Asp
Peak:m/z	Relative Intensity
54.35247	0.4
70.60919	0.5
73.34894	0.3
90.12624	0.3
91.05434	0.4
107.41077	0.3
167.08966	0.3
185.04190	0.9
212.77783	0.4
213.12804	0.4
231.09920	2.3
393.15109	100.0
394.15485	7.7
394.20190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
67.05496	1.2
69.07062	0.5
69.67443	0.8
69.67824	1.2
71.05003	0.7
79.05513	0.7
81.03452	0.5
81.07052	1.5
85.02904	0.6
87.54162	0.5
93.07037	1.0
95.08607	1.3
97.27814	0.5
109.10141	0.8
119.98521	0.5
121.10146	0.5
135.11778	0.5
137.06033	0.8
150.07744	8.2
163.07515	0.5
177.16440	0.7
195.17517	0.8
213.14873	0.6
213.18500	1.7
214.15178	1.0
248.15074	8.7
248.25356	0.6
393.18808	100.0
394.19141	9.0
412.64835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21588	0.2
69.62969	0.5
69.63316	0.8
76.96226	0.3
116.00355	0.3
132.24261	0.2
136.62303	0.2
136.72356	0.3
201.03679	0.3
203.05237	1.5
213.12560	0.4
213.83733	0.3
231.13495	1.6
299.06821	0.2
316.22293	0.3
330.16873	0.5
367.13022	0.2
393.18808	100.0
394.19177	8.0
407.83035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
59.26420	0.4
60.19014	0.6
66.61974	0.4
67.05490	0.6
69.30385	2.1
69.30773	1.0
81.07041	0.5
87.82251	0.4
89.01305	0.4
91.05492	1.0
93.07010	0.7
95.08627	1.1
105.07027	0.5
107.08541	0.4
109.10147	0.6
115.74226	0.5
121.10155	0.7
129.07002	0.5
131.08556	0.8
133.10181	0.6
137.06021	0.9
145.06387	0.5
157.84096	0.5
177.05521	0.5
177.09114	0.6
193.05644	0.5
203.05217	4.1
252.07500	0.6
292.84641	0.5
393.18817	100.0
394.19147	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	393.1885
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
50.14249	0.4
52.17262	0.4
54.91106	0.3
55.01878	0.5
55.05507	0.5
69.03422	0.6
69.07063	1.4
71.04999	0.5
71.43634	0.5
81.07070	0.5
85.02917	1.0
91.05502	0.5
93.07032	0.6
95.08607	0.9
105.01841	0.5
107.08618	0.6
139.11198	1.0
162.12788	1.7
163.13136	1.2
179.12125	0.5
246.45396	0.4
264.19574	0.6
265.87354	0.4
277.23801	0.5
278.14270	0.4
278.17496	1.2
279.14423	0.7
279.17804	1.9
295.21045	0.9
393.18802	100.0
393.28094	2.9
394.19113	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
58.88348	0.4
61.02906	0.7
61.49928	0.4
69.03441	1.9
81.03412	1.1
85.02905	5.4
91.05466	0.4
93.07031	0.6
95.08618	0.4
97.02885	1.8
105.07029	1.7
109.02891	0.5
117.07029	0.4
119.04943	0.6
127.03907	1.1
128.06198	1.5
129.06976	2.7
131.08534	1.1
133.10144	0.9
136.07016	0.4
141.06993	0.5
142.07805	1.1
143.08572	6.5
145.05000	1.1
145.10117	6.5
147.08038	1.5
155.08566	1.4
156.09341	7.4
157.06491	1.0
157.10089	1.9
158.07288	0.4
159.11679	1.3
165.07048	1.1
169.10110	0.9
170.10982	0.8
171.11685	19.1
172.12032	0.7
173.09624	6.1
174.10022	0.4
175.07535	1.9
175.38838	0.4
180.09341	1.4
184.33115	0.4
185.04253	1.2
185.13255	1.1
189.09111	0.5
189.73987	0.4
195.11687	4.9
201.20242	0.5
203.58098	0.4
213.12723	4.0
231.13802	38.8
232.14180	2.5
254.34404	0.4
393.15179	100.0
394.15558	8.4
394.20251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.8
57.03435	4.2
57.07077	30.7
58.07413	0.7
65.03945	0.4
67.05506	10.2
69.07069	6.1
69.07442	0.4
69.86175	0.3
70.56138	0.3
71.08633	21.5
72.08949	0.6
79.05482	0.9
81.07057	12.9
83.08618	10.1
83.77911	0.4
85.06534	0.5
85.10181	12.3
89.06035	2.4
93.07056	0.5
95.08607	20.6
96.08920	0.4
97.10160	5.3
98.98467	52.9
99.08106	0.4
99.11757	1.1
107.08533	0.4
109.10156	10.8
110.10530	0.5
111.11709	1.2
113.13280	0.6
116.99455	0.4
118.17070	0.3
123.11707	4.9
125.13276	1.4
130.88591	0.3
133.08641	0.9
137.13286	2.0
139.14856	0.5
140.01067	0.4
151.14798	1.0
155.01039	100.0
156.01414	0.8
165.16330	0.4
195.12231	2.8
196.03690	1.2
221.22618	0.9
239.23686	11.5
240.23956	0.7
304.26364	0.4
361.27542	0.4
368.23676	0.4
377.32480	1.2
385.69016	0.4
393.23907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27069	2.0
53.03923	2.2
55.05511	6.9
57.03438	6.2
59.39554	2.1
64.95398	1.9
67.05511	23.3
69.03429	5.9
69.07056	10.8
69.68861	8.9
71.04998	21.6
72.79301	2.0
76.72826	1.9
77.36746	1.8
79.05495	10.2
81.03413	19.6
81.07064	28.8
83.04973	2.7
83.08633	5.3
85.02921	11.3
85.06549	4.0
91.05479	11.4
93.07047	18.6
95.04983	10.2
95.08594	21.3
97.02905	5.5
97.06532	2.9
97.10188	9.1
99.08087	4.2
105.07036	9.2
107.04955	4.5
107.08597	14.4
109.02892	8.1
109.06562	2.8
109.10165	53.1
111.04433	2.6
111.08073	3.5
117.07024	3.9
119.04924	3.4
119.08566	4.6
120.08118	6.1
121.06529	6.5
121.10148	28.1
123.04392	2.3
123.11729	13.8
124.07616	3.1
125.09576	3.1
125.13255	2.6
127.03913	3.6
127.11237	5.9
129.06938	3.5
131.04915	3.4
131.08566	3.0
133.06448	2.4
133.10138	4.6
135.08060	3.0
135.11671	10.5
137.09639	2.5
137.13232	5.1
138.08888	10.8
145.06496	4.8
145.10069	4.1
147.04413	4.6
147.08052	2.7
149.06090	2.7
150.07751	22.8
151.03851	2.2
151.11162	11.7
153.12749	4.3
159.08015	3.0
159.11682	2.1
161.05983	6.3
161.09656	6.1
161.13298	3.6
163.11182	4.7
169.12276	7.7
173.06027	8.7
177.16364	24.5
179.10669	5.1
181.08344	13.6
187.07524	2.8
189.05472	4.9
195.17450	43.8
196.17819	2.4
197.11722	21.5
197.15361	2.6
201.97783	2.6
202.49066	2.2
206.23451	2.0
213.18489	100.0
214.18869	6.9
215.12779	2.5
231.19548	9.4
248.12634	4.6
248.15030	21.5
249.15256	2.4
255.13681	3.4
266.10751	3.2
266.13632	55.4
266.16327	3.5
273.14880	13.2
289.14420	4.5
301.14307	18.8
319.15546	2.7
345.17017	2.2
349.22961	2.8
363.18134	12.4
364.18561	3.0
375.18027	21.3
376.17932	3.1
393.11407	8.1
393.19046	28.0
394.18381	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69602	0.3
53.70982	0.3
54.56765	0.3
57.07076	0.9
81.07042	0.3
93.07112	0.3
95.08558	0.3
97.10188	0.4
98.23490	0.9
98.98434	0.7
101.23242	0.4
119.43896	0.3
126.20797	0.4
155.01059	1.5
186.25812	0.3
376.25735	0.7
390.79050	0.3
393.26108	100.0
394.21313	0.5
394.26492	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	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59141	0.9
57.07077	21.1
58.07411	5.9
67.05516	0.7
69.01981	1.0
69.07075	1.0
80.91390	0.8
95.08616	1.7
98.98499	2.2
105.03440	0.9
137.05966	5.7
138.06297	1.5
149.06003	1.9
154.90265	1.0
155.01036	3.3
177.09148	1.1
184.62827	0.9
207.11374	1.2
208.11661	1.8
224.13925	1.5
225.14197	1.5
236.39841	1.0
254.97090	0.8
308.19644	2.3
309.20020	10.4
332.26318	1.0
375.24744	10.1
376.25772	3.7
393.26053	100.0
394.26318	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	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03080	0.7
57.07074	1.1
61.40829	0.7
67.05473	0.9
81.07034	0.7
91.05466	1.0
95.08647	1.0
98.22700	2.8
125.59258	0.9
134.29794	0.7
137.05951	1.4
153.37793	0.7
155.01048	1.0
170.98523	0.8
376.25964	1.5
393.26071	100.0
394.26425	9.9
405.52866	0.8
414.19119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73239	1.1
55.05499	3.7
57.07059	1.8
67.05502	5.1
69.03419	1.2
69.07055	4.1
69.48083	3.5
73.35055	1.1
74.69907	1.2
79.05477	5.1
80.94846	2.0
81.07053	10.4
82.07334	1.3
83.08615	1.8
91.05476	4.1
93.07031	4.7
95.04980	3.0
95.08607	9.4
98.98476	1.1
105.07015	2.4
107.04929	2.1
109.06531	1.8
109.10157	2.4
117.07005	2.4
119.08573	2.6
121.06497	14.9
123.04440	3.3
123.11717	2.2
124.05226	10.0
129.06999	5.1
131.08542	2.9
133.06488	3.3
135.08038	2.4
135.11659	1.2
137.05965	23.4
139.07547	25.5
143.08603	1.8
145.06450	1.5
147.08015	5.8
149.05986	1.5
149.09615	1.9
151.07544	13.1
152.04659	3.4
153.05397	1.5
159.08055	2.0
160.05193	2.3
161.05978	6.9
161.09631	2.8
163.07550	12.7
163.11198	2.7
165.09094	1.5
167.07037	100.0
168.07329	3.0
168.09393	1.1
173.06021	1.8
175.07550	16.9
177.09108	28.4
179.07016	1.8
181.08659	2.4
189.09145	3.9
191.10654	25.0
193.08603	16.9
194.09019	1.8
202.49622	1.4
203.10706	3.5
205.12259	3.3
207.10172	38.1
208.10532	1.9
209.07997	6.9
217.12239	2.0
221.11771	1.9
231.13837	1.3
235.09770	2.4
239.88287	1.3
241.15923	1.3
249.11229	13.2
263.12744	1.2
301.21576	10.0
315.23178	11.1
318.21835	3.3
319.22675	2.6
331.22525	2.6
333.24274	12.2
351.25195	1.7
361.23721	2.3
375.24982	2.5
376.25729	3.4
393.25974	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11344	2.4
55.05509	16.3
57.07079	19.7
67.05515	11.5
69.03438	3.2
69.07076	19.5
69.47485	11.0
71.08646	19.3
79.05480	6.4
80.94843	2.5
81.07072	16.4
83.04978	3.3
83.08614	10.3
91.05481	10.5
93.07056	3.5
95.04926	2.4
95.08627	13.8
97.10135	3.3
98.98467	7.7
105.07027	7.3
109.06537	6.1
109.10164	4.4
111.04434	2.7
111.08083	3.2
111.14766	2.6
115.05499	3.6
117.06982	4.8
119.08622	5.6
121.06506	6.6
121.10148	4.1
123.04440	8.0
123.11778	2.7
124.05212	3.2
124.80743	2.4
127.11156	3.2
128.06248	9.5
129.07013	24.0
131.08566	6.2
133.06479	5.9
137.05969	43.3
139.03893	6.3
139.07536	38.5
140.04698	7.4
141.05461	4.3
143.08542	25.2
143.14832	2.5
145.06485	7.4
145.10136	3.1
147.08095	12.5
151.07539	32.3
153.05470	15.4
155.01035	8.7
155.03317	2.7
155.07045	9.0
157.06459	6.1
157.10112	3.3
159.08031	4.4
160.08778	8.0
161.05980	8.1
161.09639	19.0
163.07574	10.9
165.09180	5.9
167.07040	70.1
168.04195	8.0
168.07367	3.6
169.05008	14.1
171.08026	10.5
173.06052	3.3
173.09613	3.5
174.06761	12.8
175.07576	18.0
175.11133	19.9
176.08095	4.3
177.05412	2.9
177.09103	22.3
179.07030	3.0
183.06522	60.4
184.06909	3.2
185.09650	4.1
187.07457	3.5
187.11252	2.4
188.08366	9.5
189.09116	47.3
191.07030	2.9
191.10666	24.4
192.50870	2.5
193.08609	14.3
202.93388	2.5
203.10670	27.0
205.12326	3.1
207.10164	28.2
208.10460	3.2
209.08037	2.9
217.12262	20.6
225.07585	5.5
231.13794	3.9
255.21080	4.0
283.20636	6.7
287.23700	39.7
301.21747	11.4
305.24762	7.4
315.23184	100.0
316.23575	13.8
333.24231	66.8
334.24628	9.0
351.21640	27.2
352.21844	3.5
375.13666	6.8
375.28912	10.5
376.25754	6.7
393.26053	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	393.2637
Annotation	Acetoxy-[10]-gingerol
Peak:m/z	Relative Intensity
50.36497	0.2
53.03942	0.3
55.01868	0.3
55.05508	2.6
57.03444	0.4
57.07078	1.3
67.05502	2.3
69.03422	1.0
69.07063	2.6
69.26542	1.3
71.08633	10.5
79.05489	3.2
81.07059	9.2
83.01356	0.3
83.04979	0.3
83.08617	2.7
85.10174	0.3
89.06025	0.7
91.05485	1.3
91.74533	0.2
93.07063	1.2
95.04960	0.7
95.08607	3.3
97.06556	0.4
97.10164	0.7
98.22780	0.5
99.08095	8.5
105.07026	0.6
107.04972	0.6
107.08578	1.0
108.05731	0.3
109.06520	4.4
109.10161	1.1
109.28323	0.3
117.07030	0.6
121.06525	1.8
121.10118	0.7
123.04446	1.8
123.08041	1.1
124.05214	0.3
125.05985	0.7
125.09598	0.3
127.11192	0.5
129.06979	0.6
131.08568	0.5
133.08614	0.4
135.08044	0.9
136.05162	1.2
137.05978	100.0
138.06313	3.3
139.03943	0.3
139.07547	1.2
139.14763	0.3
140.04700	0.6
143.08571	0.8
145.06490	0.5
147.08043	0.7
149.05981	0.8
149.09612	0.3
151.07544	23.2
151.14771	0.3
152.07889	1.0
153.05450	2.2
155.01102	0.3
155.07037	0.7
157.06514	0.5
157.09962	0.3
159.08087	0.6
160.05057	0.3
161.06000	0.9
161.09671	0.8
162.06691	0.3
163.07550	11.2
164.07893	0.6
165.09129	0.4
167.03387	0.6
167.07036	2.8
169.04974	1.0
171.08075	2.3
172.08456	0.3
174.06760	0.6
174.14040	0.2
175.07544	3.9
175.11200	1.0
177.09113	9.4
177.16365	1.0
178.09486	0.5
185.09665	0.9
187.11194	0.9
188.08250	0.3
189.09116	5.5
190.09529	0.3
191.10715	1.8
195.17432	3.2
199.11176	0.6
203.10664	6.0
204.11017	0.4
207.10091	0.3
211.75275	0.3
212.76125	0.2
213.12726	0.3
217.12257	3.1
219.13782	0.5
226.84700	0.3
231.13806	0.9
233.15417	0.3
239.14743	0.3
245.15286	0.4
250.09796	0.3
263.16385	0.9
283.20535	2.1
301.21637	6.7
302.22171	0.3
315.23190	3.5
319.22675	22.5
320.22974	1.7
333.21146	0.3
333.24225	7.0
334.24615	0.3
351.21619	2.0
351.25305	20.3
352.25592	1.6
361.23734	0.4
375.25027	1.3
375.29453	0.3
376.25864	0.5
393.26279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95616	0.6
53.03944	0.6
55.05509	6.9
56.45699	0.6
57.03447	4.7
57.07076	34.8
59.03961	0.5
65.03940	0.7
67.05160	1.0
67.05502	14.5
69.07072	9.1
71.08631	23.9
71.37881	0.7
79.05485	6.5
81.03418	0.7
81.07056	22.4
83.04969	1.4
83.08616	11.7
85.06535	1.3
85.10186	11.1
91.05473	7.3
93.07047	12.0
95.04971	8.5
95.08610	28.3
96.08945	1.5
97.06520	2.0
97.10173	5.8
98.98467	59.4
99.11716	0.9
105.04503	1.0
105.07021	11.5
106.07407	0.7
107.08604	7.5
109.06521	1.9
109.10155	16.2
111.11699	1.5
115.05427	0.7
116.99490	1.2
117.07015	2.9
119.08576	14.5
121.06496	3.3
121.10149	6.5
123.08090	1.0
123.11699	6.3
125.00066	0.6
125.13263	1.2
125.88771	0.5
128.06203	1.3
129.06985	1.9
130.07738	1.4
131.08562	5.7
133.10138	8.1
135.08078	0.6
135.11702	3.4
137.13240	2.7
140.01134	0.6
141.06995	0.6
142.07770	3.0
143.08578	4.6
144.09335	1.3
145.10129	11.2
147.08052	0.7
147.11678	4.0
149.09627	0.7
151.14806	0.8
155.01036	100.0
155.08585	1.0
156.01411	1.5
156.09317	1.7
157.10155	8.1
158.10905	0.7
159.08052	0.9
159.11717	7.4
161.09650	2.8
161.13292	0.9
166.93849	0.6
167.08591	0.7
169.10143	3.1
170.10733	1.1
171.11699	3.8
173.02066	0.7
173.13330	3.6
175.11195	1.8
175.14793	2.6
181.10136	1.2
182.10796	0.9
183.11630	2.9
185.13176	2.2
187.11188	1.1
187.14813	2.3
193.10144	1.0
195.11774	2.0
196.03688	0.9
197.13214	2.6
198.13684	0.7
199.14857	1.5
199.92458	0.7
201.16374	2.1
207.11755	0.9
208.12529	0.9
209.13219	2.4
211.14854	1.7
219.95581	0.8
221.13287	1.2
223.14798	0.9
225.16348	1.0
229.18307	0.6
235.14758	0.7
237.16550	1.1
239.14397	0.6
239.23676	9.7
241.19527	0.9
245.96115	0.7
253.15744	0.8
265.19516	0.7
362.87305	0.6
371.21420	0.6
375.26825	1.0
393.23779	0.8
393.27997	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50386	0.7
60.04512	1.3
61.34808	0.6
65.03932	1.5
67.05499	1.2
69.03428	1.4
69.07054	0.8
69.62334	2.9
71.04990	0.8
79.04213	1.1
79.05484	1.5
79.12688	0.7
81.07041	2.0
85.02905	3.6
87.04464	0.9
91.05479	100.0
92.05823	3.4
93.07032	3.3
95.04969	6.2
95.11977	0.7
97.02890	1.3
99.04524	0.7
105.07051	1.1
109.06512	4.6
119.04939	3.8
119.37213	0.6
121.06496	1.0
123.08085	2.1
127.03899	1.0
137.05965	18.2
139.03917	2.7
151.07533	66.5
152.07866	2.8
153.09085	1.0
165.05466	13.9
179.07036	22.7
179.10675	0.9
180.07390	1.3
197.08078	6.9
215.09154	1.3
238.17992	0.8
289.05396	2.6
289.37238	0.9
353.05362	0.8
377.13809	1.5
394.19580	1.4
394.24524	3.4
395.13269	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	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16527	0.9
52.33307	0.8
54.98438	0.7
55.01863	1.4
57.03432	1.5
61.02924	1.3
69.03421	2.8
79.05476	1.0
81.03404	1.6
85.02905	12.0
91.03944	0.8
91.05471	8.5
97.02885	3.0
98.97552	2.1
99.04504	0.9
104.25835	0.8
107.04958	1.6
116.07062	2.0
116.98643	1.2
119.04945	28.3
120.05246	1.2
122.03630	2.4
127.03947	1.4
130.08643	1.9
131.04883	1.3
135.04424	1.6
137.05977	100.0
138.06310	3.3
145.04959	3.2
147.04410	60.4
148.04747	2.1
149.06032	1.5
151.07538	3.7
153.01753	1.0
153.05484	0.9
158.99612	1.2
163.07576	0.8
167.07007	2.9
167.86620	0.9
179.07033	67.5
180.07375	2.9
181.08562	2.0
197.08090	21.9
211.84859	0.8
218.08505	1.0
219.01854	1.4
258.39139	0.8
272.03629	0.8
275.37714	1.0
278.92563	0.9
307.06897	1.0
311.11230	1.4
311.43588	1.0
345.41824	1.0
353.07379	1.6
364.27829	0.9
394.11826	1.1
394.19360	0.9
395.07953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01875	12.2
55.05501	8.3
57.03424	6.3
61.02915	6.8
67.05492	2.3
69.03432	41.6
69.07066	87.9
70.03799	5.7
70.06573	2.3
71.04982	6.9
73.02907	6.7
79.05507	2.7
81.03417	34.7
81.07040	5.1
83.01360	1.9
83.08620	4.2
85.02903	100.0
85.03416	5.1
85.06533	7.7
87.00828	39.7
91.05467	3.8
93.07018	6.9
95.04968	3.2
95.08624	2.7
97.02892	40.5
99.04459	16.9
99.07357	1.9
99.08077	5.6
105.01864	40.5
105.07027	4.3
107.08587	7.4
108.04467	4.0
109.02872	29.4
109.06506	4.4
109.10168	9.0
111.04477	2.5
111.08080	25.9
111.11720	25.1
115.03912	6.1
117.01862	3.5
119.08581	2.9
121.10144	3.7
123.11696	4.4
125.09602	3.4
127.03912	64.4
127.11189	9.9
129.01849	3.9
129.05356	2.1
129.12769	23.7
131.08588	3.8
133.10110	6.2
135.08093	2.9
135.11696	7.2
137.05942	2.8
139.07547	7.3
139.11156	7.7
141.12718	11.9
143.08553	2.7
145.04967	27.7
145.10098	3.3
147.11665	3.8
149.09641	2.2
151.11145	5.9
159.02881	14.9
159.07988	3.4
159.11732	2.7
161.09616	4.9
169.12216	2.7
173.13242	3.4
177.09166	2.7
177.12746	3.5
179.10654	4.1
181.12288	2.4
195.13846	3.3
201.12723	4.9
203.05194	6.3
215.14330	2.8
219.13811	13.6
231.04994	14.7
233.15308	3.9
237.14830	15.0
244.22849	3.5
248.07599	2.2
248.28815	2.0
249.06001	4.0
255.15825	6.1
273.17239	2.3
297.16885	6.0
323.14780	23.6
341.15936	7.3
394.15390	16.6
394.31415	9.0
395.20456	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
55.05507	4.7
56.01269	0.5
56.05023	3.6
61.02931	1.1
61.81179	0.5
67.05501	9.9
69.03430	2.6
69.07066	6.9
70.06587	1.2
71.38927	0.6
72.08163	1.3
73.02927	0.8
74.02438	2.8
74.23194	0.5
74.81004	0.6
78.03461	0.5
79.05487	0.7
81.03431	1.5
81.07054	12.1
81.07505	1.0
82.07403	0.6
83.08617	5.9
84.08131	2.4
85.02907	11.7
86.09719	1.5
91.05522	0.7
93.07072	0.8
95.08605	30.4
96.08968	0.8
97.02890	2.8
99.04457	0.6
101.21030	0.6
103.03941	0.5
106.02928	1.5
108.42413	0.6
109.02867	3.0
109.10150	8.2
120.08141	0.9
124.03955	1.6
127.03904	2.4
137.05992	2.3
151.07501	0.6
151.14845	3.7
161.02977	0.8
168.17476	100.0
169.17824	4.4
179.03397	0.6
179.10657	0.9
186.18559	4.0
197.08047	1.3
197.11719	1.8
210.18520	1.6
214.18007	86.4
215.14276	0.8
215.18379	4.1
221.04456	0.7
232.19067	55.9
233.19365	2.1
250.07187	0.7
251.04008	1.0
256.19022	1.0
268.08261	0.8
274.20227	1.1
280.19000	0.8
281.06851	0.7
282.06717	0.7
293.05032	1.8
294.05103	0.6
309.19968	0.6
340.21243	0.8
394.24585	1.0
395.07922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
57.07074	2.4
67.05160	1.4
67.05505	18.5
68.24398	0.9
69.03436	2.7
69.07066	7.2
69.29233	1.6
69.29630	3.1
71.05004	2.0
73.82426	0.9
79.05481	5.2
81.03427	1.6
81.07056	42.2
82.07378	1.7
83.04952	1.2
83.08618	3.9
85.02912	6.6
85.06548	1.8
87.04453	0.9
91.05507	3.9
93.07042	4.7
95.04934	0.8
95.08606	30.1
97.02898	1.5
97.06531	2.6
97.10162	2.6
105.07029	5.0
107.08583	2.7
109.02868	1.3
109.06549	1.2
109.10152	3.4
111.08102	1.0
119.08578	5.3
121.06424	0.9
121.10171	2.9
124.07556	1.1
127.03897	1.6
133.10135	3.4
135.11687	10.7
137.09607	1.4
137.13255	85.1
138.13600	3.4
138.72450	0.8
151.14812	0.8
161.12025	1.6
161.13266	12.0
162.12720	1.1
166.05048	0.8
179.14320	13.5
180.14619	0.8
185.24548	0.9
197.15359	13.6
198.15746	1.2
205.13387	0.9
206.11812	1.0
208.86644	0.9
213.11217	0.8
215.16418	100.0
216.16760	4.9
223.14394	2.0
234.11385	1.5
248.16414	1.2
251.13956	2.6
264.19638	2.6
290.21109	1.2
348.19775	0.8
349.17551	1.1
376.24734	1.8
377.16891	1.6
394.25998	1.5
394.30365	1.4
395.20313	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05334	0.4
55.05513	1.6
56.85868	0.5
57.07073	0.9
65.10675	0.5
67.05499	1.6
69.03423	1.5
69.07069	2.6
69.31707	2.5
70.06594	4.3
79.05499	1.7
81.07051	3.2
83.08632	0.8
86.06073	1.5
87.04468	6.0
87.04953	0.7
88.07614	0.7
91.05501	1.5
93.07043	3.5
95.08611	3.0
98.06053	8.2
98.23431	0.9
102.09218	0.6
103.05526	0.4
105.07039	2.0
107.08602	4.0
109.10184	1.3
116.07094	1.9
119.08567	3.1
121.10155	2.0
124.07590	1.3
133.10144	2.4
135.11726	1.4
137.13260	0.8
142.08691	0.7
147.11705	2.0
149.02304	4.0
149.03343	0.5
149.13289	1.0
161.13255	2.0
162.12712	4.0
163.14783	0.6
164.10742	0.5
164.14372	0.8
175.14787	1.1
178.15894	0.8
182.99461	0.7
184.13344	0.7
193.04990	5.0
205.19466	1.0
223.30870	0.5
228.23262	2.0
248.16440	6.7
249.16888	0.6
250.18069	3.5
264.19556	3.9
266.21179	1.1
308.25851	1.5
324.21753	1.3
346.14313	0.5
362.27142	0.6
394.29565	100.0
395.20743	0.6
395.29883	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	394.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70623	1.3
55.05510	3.6
67.05505	3.2
68.99810	1.7
69.07039	2.5
70.19820	4.7
71.08633	10.9
80.94871	2.9
81.07057	4.8
83.08624	2.1
93.07088	2.3
95.08607	4.5
97.10198	1.7
99.08073	8.6
107.04985	1.5
109.10156	4.0
114.68021	1.7
116.87651	1.6
123.11730	2.4
137.05988	13.2
139.07550	6.6
163.07527	5.0
177.09117	2.1
201.54793	1.5
224.13626	1.5
363.25305	100.0
364.25754	10.0
377.74396	1.9
394.33200	13.1
395.17868	5.1
395.33282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25489	5.4
61.63145	5.5
68.09934	5.8
68.62500	5.6
69.60667	20.5
72.66210	5.2
80.94824	7.9
81.07072	8.4
95.08641	6.5
98.23447	11.4
105.03397	52.6
110.22559	5.9
123.04436	28.4
140.22768	6.1
149.05983	100.0
187.07472	6.4
189.09212	6.2
195.59677	5.7
243.48297	6.7
327.92529	7.9
341.24802	9.8
394.29559	12.6
395.22305	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	394.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36232	6.1
67.05495	27.3
68.05816	6.2
69.07037	8.0
71.44084	6.4
72.57180	6.6
79.05453	9.6
81.07041	19.4
83.08620	8.8
89.06014	6.9
91.05466	11.4
93.06998	8.2
95.08599	25.8
98.02603	5.5
98.97533	9.2
109.10116	10.2
151.07555	100.0
152.07840	8.4
153.09111	8.1
177.09067	9.3
180.40631	7.3
189.09021	9.7
189.16420	9.5
229.12227	14.2
243.13721	16.9
245.15460	9.6
341.24689	57.9
363.26556	8.1
376.32156	9.7
395.18024	71.2
395.27640	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	394.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.7
57.07076	13.4
67.05491	11.6
69.04089	7.0
69.07063	17.0
69.80481	12.5
69.80849	16.3
71.08631	19.1
81.07043	9.1
83.08621	7.9
91.05477	12.0
93.07047	8.0
94.84763	7.2
95.08601	21.3
97.10168	9.1
98.23427	7.8
99.08079	11.4
104.33816	7.2
121.06550	8.6
123.04420	100.0
135.08041	24.6
137.06003	27.7
138.06372	8.7
149.05989	28.0
151.07544	24.7
153.09128	9.3
163.07538	92.8
177.09145	14.5
243.42645	6.6
259.36282	7.2
307.62592	8.8
317.24710	77.0
335.25806	19.1
364.84906	9.2
377.26929	84.5
378.27185	8.7
395.18027	10.5
395.27612	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	394.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87263	0.9
54.38092	1.2
55.05511	14.6
57.07075	13.8
58.07407	2.6
67.05502	8.7
68.05843	1.2
69.07071	14.7
71.08633	9.7
72.08956	3.1
81.07063	10.0
82.07388	1.9
83.08615	12.5
84.08967	2.1
85.10179	4.0
86.10526	1.8
89.06028	2.4
91.77023	1.0
95.08612	10.3
96.08935	3.9
97.10145	5.5
98.98467	27.5
107.04966	1.8
109.10171	2.8
111.11700	2.3
121.06511	1.9
122.96518	1.1
123.04427	100.0
123.11668	2.2
124.04755	2.1
124.12034	1.3
130.07195	0.9
133.08568	1.2
135.08029	2.6
137.05930	5.0
149.05974	64.1
150.06302	2.5
155.01039	39.5
155.02304	2.4
156.01414	8.0
163.07535	84.9
164.07988	1.6
165.60657	0.9
177.09061	7.5
187.11217	2.9
191.07033	6.9
193.19444	1.2
195.12231	2.6
205.08566	11.9
235.16876	1.1
240.24066	4.3
299.23813	3.9
317.24734	97.9
318.25113	6.9
359.25635	1.7
394.29364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08644	6.5
80.94860	8.0
89.06032	5.7
91.05445	10.6
95.08603	8.1
99.08093	8.7
126.47631	4.7
137.05922	8.6
162.16402	5.2
191.02722	4.2
195.12282	6.1
227.20068	5.5
253.00989	4.4
321.24234	100.0
322.24661	7.4
363.25357	18.4
395.23950	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	394.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.3
57.06822	3.0
57.07081	49.5
60.02818	2.3
67.05493	3.9
69.07066	6.1
71.08635	52.5
71.44191	2.2
79.05504	2.3
80.94888	2.1
81.07050	6.3
82.07362	2.4
83.08611	2.4
85.10179	22.6
87.04453	2.8
89.06033	35.8
92.15424	2.1
95.08604	6.3
97.10163	2.5
99.08096	10.6
99.11721	4.1
103.08712	6.3
104.10731	2.7
107.07016	2.6
107.08591	3.2
109.10126	3.6
113.13263	4.0
121.06478	3.4
123.11772	2.0
133.08600	15.9
139.07567	3.0
151.07527	19.6
151.09563	3.3
153.09099	12.6
155.00983	3.0
177.09079	12.4
177.11227	6.7
185.39886	1.9
191.10687	4.0
192.85815	2.1
195.12299	39.7
218.80542	2.1
220.25858	2.2
270.93063	2.1
377.26801	100.0
377.32529	33.0
378.27194	10.8
394.20255	3.3
394.33267	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	395.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.3
56.96573	12.5
59.32062	8.3
62.43428	9.8
69.49402	39.6
75.22416	7.7
77.33768	9.5
79.05516	9.7
81.03413	13.7
81.07054	10.6
82.06578	49.2
84.08170	15.0
85.02917	9.3
91.05487	100.0
96.08155	21.0
96.55441	9.7
98.97588	50.2
113.09583	8.9
116.98634	25.1
123.04412	11.1
124.07554	70.7
125.07916	16.5
127.03876	12.9
134.99655	12.8
137.05966	14.5
142.08603	23.7
143.00194	13.6
147.04407	16.6
158.99652	9.4
179.10663	18.6
197.11768	15.6
198.12131	16.3
201.00748	10.8
216.08844	24.2
217.09167	36.2
218.09566	9.4
219.01811	10.2
230.65263	9.4
240.08621	12.3
241.09164	19.9
250.55066	10.5
263.37360	8.9
269.12177	20.2
286.12912	17.9
287.13495	11.5
300.36639	9.9
302.11633	15.2
327.07416	12.2
369.08472	13.7
394.18527	22.6
395.07446	40.1
395.22186	20.2
419.79773	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	395.074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83448	5.9
54.81366	7.0
56.96554	8.6
70.73216	9.2
76.18820	6.9
98.97581	57.0
110.97568	22.1
116.98621	14.1
118.78979	6.7
124.50124	6.2
128.98645	8.2
143.00169	8.1
158.99591	10.2
196.76898	6.1
207.03337	8.5
219.01740	26.2
237.02806	27.7
309.06485	30.4
327.07489	100.0
351.07901	10.9
369.08444	12.7
395.07343	90.0
396.07864	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	395.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
56.29643	0.7
62.92766	0.7
67.05489	1.2
67.72504	0.6
69.03421	0.7
69.44090	3.2
71.04965	0.8
71.09216	0.7
79.05483	0.9
80.38196	0.7
81.03380	0.8
83.04929	0.8
85.02879	2.0
91.05475	1.0
93.07024	1.2
95.08577	1.7
98.23409	1.3
99.08092	0.8
101.14105	0.7
105.07021	1.9
107.04923	1.3
107.08588	1.4
121.10137	1.1
122.06013	1.1
125.70749	0.6
129.09145	0.7
133.06487	1.8
138.27896	0.7
140.07030	1.1
147.04333	0.7
154.04990	0.9
161.05978	3.4
166.60095	0.7
169.07436	0.8
185.04210	1.1
193.08636	1.1
197.11688	0.9
199.09724	1.0
199.13203	1.2
201.03847	0.7
203.05252	4.1
210.18614	1.1
215.06796	3.7
227.05238	1.7
233.07750	0.7
245.06328	15.2
271.04367	1.3
289.05292	81.4
290.05682	3.2
299.10077	1.1
309.09396	1.4
332.13934	0.9
351.06384	1.2
351.10468	17.2
395.09332	100.0
395.13022	6.3
395.21152	2.3
396.09790	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	395.1106
Annotation	Griffonianone B
Peak:m/z	Relative Intensity
56.96561	18.6
69.11540	44.4
72.45706	5.8
74.08407	7.3
94.84313	6.0
98.22625	12.1
101.01373	5.7
115.00705	16.8
133.01723	11.6
172.36906	6.2
182.89954	7.5
233.27177	6.8
265.11139	16.6
267.09018	22.3
285.09970	18.3
309.10104	13.5
327.11215	14.6
351.26135	7.0
395.10974	100.0
395.20148	31.0
396.11163	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	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72962	0.5
60.94219	0.5
69.76675	0.6
69.77003	1.3
73.70145	0.5
91.05486	0.9
130.39867	0.5
147.90526	0.5
151.07532	0.6
177.27177	0.6
185.04227	4.6
199.09723	1.0
217.04785	1.0
232.07077	11.8
232.09291	0.9
233.07829	8.4
364.11227	1.3
365.12103	1.0
395.13135	100.0
396.07950	1.0
396.13422	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	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26209	0.4
69.03430	0.9
69.33302	1.3
69.33692	0.8
73.20621	0.5
79.05490	1.3
80.07307	0.5
85.02898	1.2
91.05488	0.7
93.07003	0.5
95.08583	0.7
105.07012	0.6
107.08590	1.9
135.08057	1.4
135.11661	0.6
139.11070	0.6
142.96066	0.5
143.08514	0.5
144.08113	0.6
163.07582	1.6
163.11264	0.5
185.04182	0.8
199.13229	0.8
215.14388	0.7
233.07848	1.6
267.16800	5.2
395.13138	100.0
395.21240	36.2
396.13382	6.3
396.21750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72962	0.5
60.94219	0.5
69.76675	0.6
69.77003	1.3
73.70145	0.5
91.05486	0.9
130.39867	0.5
147.90526	0.5
151.07532	0.6
177.27177	0.6
185.04227	4.6
199.09723	1.0
217.04785	1.0
232.07077	11.8
232.09291	0.9
233.07829	8.4
364.11227	1.3
365.12103	1.0
395.13135	100.0
396.07950	1.0
396.13422	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	395.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45698	0.4
56.41308	0.3
61.13303	0.4
70.71836	0.4
73.77295	0.3
75.92154	0.3
77.95818	0.3
127.12085	0.3
165.80873	0.3
185.04167	0.6
208.58611	0.4
240.47226	0.4
339.00494	0.4
395.16632	100.0
396.16983	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	395.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87687	0.4
66.80291	0.4
79.94206	0.3
84.82443	0.3
91.83691	0.3
95.59017	0.5
105.67119	0.4
108.88444	0.3
126.74422	0.3
137.05952	0.4
145.75768	0.4
169.72551	0.4
175.07545	0.4
208.19240	0.4
210.72435	0.4
215.14352	0.6
233.15468	0.5
364.25790	0.4
395.16739	100.0
396.17047	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	395.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47750	0.5
70.48917	0.6
70.50311	0.7
70.50636	0.5
185.04251	1.3
197.19038	0.6
233.15486	0.6
395.16730	100.0
396.17072	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	395.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15343	0.4
69.39016	0.6
69.39410	1.0
98.22715	0.4
102.86519	0.4
107.89255	0.4
111.11752	0.4
122.10506	0.6
128.27620	0.4
136.33391	0.4
185.04326	0.4
197.11671	0.5
198.12025	0.7
233.11475	0.6
241.36937	0.4
282.40759	0.4
395.16779	100.0
396.17068	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	395.2044
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
52.52868	0.3
59.55439	0.3
70.67916	0.4
78.39721	0.3
112.51787	0.3
183.10196	0.3
215.14319	0.5
239.38638	0.3
379.52408	0.3
385.46875	0.3
395.20419	100.0
396.20740	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	395.2431
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
53.03941	0.4
55.01865	0.9
55.05512	3.2
57.03423	0.7
57.07070	0.7
65.03924	1.3
67.05499	4.3
68.55334	0.4
68.99780	1.1
69.07056	3.3
69.40082	1.0
69.40471	0.7
71.04997	0.5
71.08627	14.7
72.08976	0.4
76.57414	0.3
79.05491	4.8
81.06625	0.7
81.07058	8.2
82.04198	0.7
83.04990	0.8
83.08619	2.9
91.05473	1.3
93.03412	0.7
93.07036	1.4
95.04967	2.0
95.08602	3.3
97.06535	2.6
97.10142	0.7
99.08089	12.5
103.05447	0.6
105.04472	0.6
105.07014	0.9
107.04950	4.6
107.08592	1.1
109.06499	0.6
109.10153	1.0
110.03656	2.6
111.04427	2.2
115.05457	0.5
117.06960	0.7
119.04939	1.0
121.06486	0.8
121.10098	1.5
123.04436	5.1
125.05988	40.6
126.06349	0.6
127.11195	1.0
131.04967	0.6
131.08548	1.0
133.06480	2.0
135.04422	0.5
137.05997	3.2
138.03108	4.4
139.03896	13.9
140.04193	0.4
141.05460	1.1
141.12752	0.6
143.08594	0.6
145.06477	1.2
147.04422	2.3
147.08032	1.0
149.05965	1.9
151.07544	0.8
151.14755	0.4
152.04613	0.5
153.05460	100.0
154.05801	3.5
159.04366	0.8
159.08043	1.5
161.05965	3.6
161.09604	0.6
163.03941	1.0
163.07527	2.7
165.05481	1.9
167.07079	2.6
169.04945	2.3
173.05992	3.2
174.06702	0.4
175.07594	2.1
175.11131	0.6
177.05496	1.1
177.09071	2.3
177.16376	1.2
179.07022	19.7
180.07286	0.5
187.07530	8.6
187.11211	0.5
188.08127	0.7
189.09123	1.6
191.07048	3.0
191.10609	2.7
192.07729	0.9
193.08601	8.7
194.08852	0.5
195.17487	3.8
197.08080	0.5
201.09166	2.1
203.10638	4.6
204.11053	0.5
205.08595	13.2
207.87334	0.4
215.10707	2.1
217.12263	0.5
219.10155	6.5
219.13774	0.9
221.11752	0.7
228.99280	0.4
229.12282	0.7
233.11736	2.1
239.18613	0.4
247.13353	0.8
285.18552	1.3
299.20102	6.6
303.19492	1.3
307.22479	0.5
317.21109	16.3
318.21426	1.8
321.20605	2.1
335.22162	23.9
336.22433	2.3
340.04004	0.4
353.22684	2.1
365.41153	0.5
377.23325	4.5
395.17978	0.9
395.22537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02562	0.9
67.80149	0.7
69.07094	0.8
69.26965	4.2
93.78189	0.7
123.04427	1.0
123.96519	0.7
127.71424	0.7
139.03868	0.8
167.98363	0.9
187.12923	0.7
197.01537	0.7
336.26358	0.8
395.27701	100.0
396.27963	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	396.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	13.0
72.08115	9.9
81.07040	13.3
85.10194	12.5
86.45885	7.7
89.06031	52.2
91.05482	13.9
98.23500	24.7
101.83326	8.6
106.44547	9.2
116.55170	8.2
119.08559	12.6
133.08635	22.9
137.58505	8.3
139.03896	9.7
158.96461	8.8
169.04929	27.2
180.97964	10.7
196.98340	9.7
224.17706	10.4
239.14847	50.0
242.96541	10.1
268.73096	9.0
291.90063	10.2
319.22403	9.6
320.71759	8.9
337.21005	10.3
339.65405	9.0
351.21616	100.0
379.30527	10.8
396.18439	67.0
396.34689	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79910	1.5
67.05501	3.3
69.26349	9.6
71.08640	8.5
79.05482	3.7
79.91664	1.6
80.94841	4.2
81.07040	2.2
81.32402	1.5
83.08632	2.4
91.05466	2.5
93.07045	2.3
95.08601	1.9
98.22711	3.7
98.23407	5.0
99.08070	6.4
107.04967	1.6
109.06519	2.7
114.29643	1.7
120.21293	1.6
125.06009	2.6
137.05975	59.4
151.07547	3.5
153.05452	7.0
161.05913	2.3
163.07492	8.9
165.05492	6.1
173.05952	2.0
175.07538	4.0
177.05513	5.2
177.09128	6.8
179.07072	2.2
189.09117	7.3
193.08606	4.3
201.38432	1.7
203.10658	5.0
217.08597	1.8
217.12224	2.7
229.12302	2.5
301.21664	4.1
319.22635	13.2
343.22519	5.0
361.23730	100.0
362.24002	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	396.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77542	4.8
51.82244	4.4
55.05518	4.7
64.15672	5.0
67.05503	6.1
67.87338	4.8
69.46835	25.9
79.05474	6.7
80.94843	19.7
81.07058	7.3
85.09091	5.3
91.05463	8.3
95.08569	8.5
107.04962	6.6
109.10138	7.4
119.04930	7.7
125.06010	11.7
127.94293	5.3
133.06471	9.0
145.57457	5.9
147.04395	8.9
153.05486	62.0
159.04370	11.3
161.05988	35.4
164.74927	5.0
171.84219	4.5
174.29736	5.0
179.07021	44.1
184.70428	4.9
191.07109	8.1
192.84464	5.0
193.08604	100.0
195.06586	11.6
205.08701	9.6
221.08057	8.3
228.36435	5.1
235.09659	46.3
264.00284	5.3
297.91394	5.1
301.21698	7.3
317.21182	10.7
319.22617	38.0
343.22598	6.1
361.23718	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.8
57.07075	1.6
63.10830	1.0
64.67716	1.1
67.05502	7.1
67.98633	1.0
69.07067	2.6
69.70453	3.2
71.08631	21.8
79.05491	1.7
81.07058	7.0
83.08622	4.7
91.05492	1.2
93.07071	1.4
95.04959	1.6
95.08610	5.1
97.10143	2.0
99.08098	16.4
105.07015	1.4
107.04929	2.8
109.02856	1.9
109.06489	1.5
109.10153	2.9
119.08599	1.7
121.06532	1.8
123.04430	61.1
123.11646	1.2
124.04758	1.7
125.06003	1.3
135.04417	2.0
135.08012	1.7
137.05962	10.1
141.05463	1.7
149.05995	14.2
153.05461	12.6
156.47983	1.3
161.06001	5.8
163.07552	12.0
175.07541	9.8
189.09073	8.1
191.10785	1.3
193.08714	1.1
195.06650	1.8
203.10670	3.8
243.54991	1.3
252.18686	1.1
287.20044	2.5
301.21637	3.2
305.21155	8.5
319.22565	2.2
337.23718	100.0
338.24005	6.7
346.25485	1.3
379.20206	2.2
379.24792	26.0
380.25128	2.4
396.28198	1.5
396.34824	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	396.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.07066	6.6
60.62460	1.6
62.52658	1.5
67.05504	3.2
69.07045	4.2
69.66068	2.9
69.66452	2.9
71.04984	4.0
71.08613	8.1
79.05474	2.9
81.07051	4.1
85.10178	2.8
89.06008	1.6
91.05473	3.9
95.08601	6.0
98.23039	4.9
107.04948	3.2
115.05466	3.4
119.04919	5.7
121.06487	2.0
123.04377	2.0
123.41080	1.6
125.05991	4.9
129.06973	1.5
133.06491	7.2
137.05997	11.2
147.04399	13.3
147.08023	1.9
149.05984	2.6
153.05458	24.6
161.05984	21.4
163.07533	6.2
175.07510	5.4
177.09094	1.7
179.07047	15.3
189.09027	7.3
193.08592	45.1
194.08907	2.4
197.18982	4.6
287.20038	3.2
301.21799	2.2
319.22668	100.0
320.22995	8.7
327.14157	1.9
337.23633	4.7
396.27942	2.8
397.22009	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.7
56.05036	0.5
64.41917	0.4
67.05520	2.3
68.05012	0.5
69.03410	0.7
69.07041	1.4
70.06584	0.4
76.27065	0.5
79.05472	1.6
80.05033	3.9
81.03400	1.0
81.07061	2.6
82.06589	0.5
83.08598	1.1
84.04503	0.7
86.06039	1.2
87.04470	14.7
87.88470	0.4
91.05467	1.0
93.07058	2.1
94.06544	0.4
95.07347	0.4
95.08611	2.0
96.08095	1.2
96.50808	0.3
97.10169	0.5
98.06055	2.6
100.11256	0.7
105.07005	0.8
107.08574	1.7
108.08092	1.5
109.08893	0.4
109.10135	1.4
110.09662	0.4
119.08549	1.4
121.10128	1.3
122.09672	3.2
124.07568	0.7
124.11226	0.9
133.10098	1.1
135.11696	0.5
136.07553	1.0
136.11201	1.4
138.12767	0.4
143.42787	0.4
145.10046	0.4
147.11679	0.6
157.10098	0.4
166.08646	5.1
180.10258	1.7
181.10944	1.4
184.09644	1.2
184.13301	1.3
194.11766	2.8
195.12518	0.5
204.13855	1.0
208.13345	6.1
209.13956	0.6
210.14841	1.2
217.15894	0.5
218.15282	0.5
222.14911	1.5
224.16396	0.7
236.16457	1.1
246.18614	1.1
248.20128	2.8
264.19592	2.2
266.21191	8.4
267.21484	0.4
308.18558	1.7
322.20126	1.1
334.23682	1.0
350.23010	0.5
352.24826	98.6
353.25104	8.4
354.26501	0.9
396.27460	100.0
397.14621	2.2
397.27789	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	396.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05500	1.2
57.07080	1.5
65.03926	2.2
67.05505	2.3
69.07061	2.6
71.08628	3.1
71.43414	0.3
79.05495	2.2
81.07050	2.8
81.73334	0.3
83.08604	0.5
85.06536	1.1
88.11913	0.3
91.05475	100.0
92.05807	2.7
93.07043	3.5
95.04953	4.6
95.08603	3.2
97.06519	1.1
99.08083	1.3
105.07021	2.4
106.06550	14.5
107.06908	0.4
107.08591	3.0
108.08109	18.0
109.06509	7.7
109.08456	0.4
109.10150	1.3
110.06847	0.4
117.07012	1.3
119.08593	1.6
121.06497	1.1
121.10144	1.4
123.08056	0.7
129.06963	0.6
131.08556	1.1
133.10144	1.5
134.87492	0.3
135.08118	0.6
137.05989	0.4
137.09615	0.7
143.08591	0.5
145.10123	1.1
147.11676	1.3
149.09584	0.6
149.13240	1.1
157.10104	0.4
159.11713	1.0
160.97948	0.4
161.13223	0.6
163.11156	0.9
163.14764	0.6
165.12741	25.3
166.13118	0.8
169.10081	0.4
171.11697	0.5
173.13268	1.1
175.11232	0.7
175.14868	0.4
176.10680	0.8
177.12686	0.4
179.14253	0.5
181.10167	0.4
184.99995	0.3
189.12582	0.3
190.12253	0.6
191.14314	3.1
197.08084	0.4
201.12756	1.2
204.13943	0.5
229.19554	0.8
244.16920	1.9
271.20599	1.7
274.18042	0.9
282.18536	1.5
289.21555	3.0
291.23450	0.5
298.21619	5.2
299.21747	0.5
324.39233	0.4
340.23001	0.4
354.93774	0.4
361.23767	0.6
378.27905	1.2
379.26224	0.6
396.28946	16.7
396.34460	23.7
397.29276	2.2
397.34818	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
57.07067	2.8
58.20713	0.8
67.05476	1.0
69.07057	1.7
69.19279	4.8
71.08624	2.6
83.08611	1.8
85.10155	0.9
91.05462	1.1
95.04984	1.1
97.10178	1.3
98.22770	1.3
98.23414	1.8
111.04398	0.9
111.67538	0.7
121.40675	0.9
123.04425	98.4
124.04762	2.2
137.05978	4.9
142.68269	0.8
151.07535	0.9
165.09157	0.8
295.22601	1.3
319.26300	100.0
320.26633	8.3
361.27448	4.1
396.27951	8.2
397.29089	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	396.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44568	2.9
54.74623	3.1
67.05500	4.2
71.08620	5.2
71.45235	4.9
80.94820	7.4
81.07041	5.6
82.04893	3.2
119.08577	3.9
125.05994	3.7
137.05981	100.0
153.05525	3.7
163.07515	3.9
177.09113	8.0
241.07986	3.8
347.25830	86.3
348.26181	9.2
353.20349	3.8
371.40369	3.3
381.20013	14.2
396.22586	67.3
397.23486	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	397.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76878	2.6
57.16902	3.6
70.88090	5.6
81.98325	3.0
83.20309	2.9
85.79866	2.4
89.65893	2.9
102.61824	2.5
109.45058	2.9
232.35779	3.2
248.97238	3.0
276.99957	3.7
311.06454	4.8
347.00125	3.8
397.08963	100.0
398.09039	5.9
398.36978	3.2
411.32144	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	397.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06511	2.6
60.62451	2.6
63.35333	2.5
70.73408	4.5
84.03723	2.5
85.02906	6.3
97.02924	3.8
135.08101	2.9
141.62752	2.6
145.76932	2.5
153.96570	3.3
192.20955	2.4
204.96814	2.7
226.49004	2.8
258.16852	3.0
267.40762	2.6
274.11935	2.9
397.08905	100.0
397.14008	6.7
397.25742	2.7
398.09283	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	397.09
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56484	0.6
53.25141	0.8
56.96568	2.2
70.57240	1.0
74.10312	0.8
78.16013	0.6
98.97580	5.1
110.97521	1.0
112.63003	0.7
116.98622	2.2
171.03940	0.7
194.07741	0.7
202.01143	0.7
217.01785	1.1
235.02780	5.1
235.05768	2.3
253.03871	10.0
271.04971	3.3
283.01260	0.8
295.01450	1.6
373.04056	0.8
397.11264	100.0
398.11700	6.2
415.08972	1.9
417.24637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25788	0.7
69.03436	1.0
81.35204	0.8
85.02905	2.4
97.02867	1.0
109.02873	1.1
121.43324	0.8
122.44165	0.8
127.03900	1.4
132.04460	1.9
144.65974	0.8
149.02115	11.6
185.04189	1.0
186.68423	0.8
212.07150	1.7
227.05229	1.2
235.06015	1.3
271.04218	3.1
303.83902	1.0
311.07318	4.7
353.08408	14.4
397.07141	40.6
397.11115	100.0
398.07483	2.4
398.11926	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	397.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
70.49620	0.7
70.49932	0.4
77.56346	0.4
98.97577	2.5
110.97568	0.5
116.98617	0.8
127.27545	0.4
235.02846	0.8
235.05756	0.8
253.03845	1.0
255.01794	0.5
265.00339	0.6
271.04874	0.5
283.01141	0.5
295.01221	0.8
397.11063	100.0
398.11456	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	397.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93299	0.4
70.72894	0.5
70.73219	0.5
70.75402	0.4
85.07533	0.4
149.02119	1.3
185.04251	0.6
235.05823	1.1
253.03824	0.5
331.21979	0.4
335.84015	0.5
347.18948	0.4
353.08493	1.7
397.11133	100.0
398.11478	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	397.1472
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
54.81204	0.3
55.05505	0.5
58.79348	0.4
60.71455	0.4
63.43711	0.3
70.53481	0.7
81.21774	0.4
84.04552	0.6
84.33301	0.3
85.02924	0.4
86.13819	0.4
88.94490	0.4
100.11253	1.4
114.05539	0.6
127.03861	0.4
136.41573	0.4
139.57164	0.5
142.96701	0.4
147.04411	1.1
185.42892	0.4
198.78166	0.4
201.11055	0.4
210.18544	0.7
217.14377	0.8
235.09637	0.4
291.05780	0.8
397.14682	100.0
397.31512	2.0
398.14963	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	397.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
67.95280	0.4
74.08658	0.4
78.13393	0.4
81.07033	0.7
85.02918	0.8
95.08595	0.7
100.11278	1.4
105.07019	0.6
119.08623	0.6
121.10144	0.5
123.08109	0.4
136.87135	0.4
137.05989	3.2
145.10223	0.5
156.10173	0.4
161.05997	0.8
191.74008	0.4
199.14839	0.5
215.92227	0.5
235.09410	0.4
235.13298	1.3
235.16882	0.9
291.05768	0.6
312.70612	0.4
397.14697	100.0
397.31876	1.4
398.15103	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	397.1647
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.01861	1.0
55.88445	0.5
57.03437	0.8
61.02917	0.6
64.42297	0.5
65.03927	0.7
67.05491	0.9
69.03406	1.6
72.60838	0.6
79.05473	2.2
81.03417	1.0
81.07050	1.7
83.04973	0.7
83.51208	0.5
85.02917	4.2
91.05476	9.7
92.98009	0.5
93.07018	2.2
94.04199	2.7
95.04967	2.4
95.08582	0.6
97.02892	1.1
103.05445	2.2
105.07040	2.1
107.04944	1.5
108.71556	0.5
109.02863	1.0
109.06540	1.5
109.10170	0.8
115.05443	1.7
115.18649	0.5
116.06255	0.6
117.06988	0.7
118.06535	1.5
119.04953	6.0
119.08523	0.9
121.06519	1.9
121.10114	3.5
122.03661	5.3
124.05198	0.9
125.06028	0.8
127.03906	1.5
128.06203	3.6
129.07011	6.2
131.04910	1.9
131.08559	4.3
133.02867	0.7
133.06499	0.9
133.10127	1.1
135.04430	1.3
135.08038	0.5
137.05972	83.0
138.06281	1.8
141.06987	3.3
142.07762	2.1
143.04964	0.7
143.08568	1.7
144.05714	2.1
144.08018	1.0
145.04918	1.5
145.06485	1.7
146.03648	0.7
146.06003	3.0
146.07260	1.5
147.04395	4.2
147.08046	0.6
149.05998	4.8
149.09612	1.8
151.03888	0.7
151.07545	11.0
152.06181	2.0
153.05551	1.3
153.06969	2.4
154.07744	1.2
155.06024	0.7
155.08549	5.8
156.09351	0.6
157.06511	3.2
157.10110	1.5
158.07237	3.0
159.08063	5.9
161.05980	14.2
161.09581	4.8
162.04074	1.2
162.06541	0.5
163.07516	1.6
165.06967	2.7
166.12274	2.8
167.07214	0.8
167.08525	2.6
168.05751	1.5
169.06483	2.3
169.07713	0.9
170.07280	2.0
171.04308	0.6
171.07980	3.7
172.05240	0.7
172.08818	3.9
173.06020	0.8
173.09615	2.3
174.06743	1.0
175.07556	3.6
179.07118	0.7
181.06477	2.5
182.07242	6.6
183.04498	0.6
183.07986	3.1
184.05197	2.1
184.08862	3.2
185.06017	1.5
185.09607	9.8
186.06763	1.7
187.07585	5.7
187.11217	2.2
188.07063	1.9
189.09091	3.1
189.12689	1.4
191.07047	6.3
194.07300	2.1
195.07954	2.5
196.08833	0.6
197.05977	2.0
197.09610	9.1
198.06747	15.5
199.07510	9.4
199.11133	1.1
200.08247	2.8
201.09109	4.0
202.07806	1.3
203.08662	1.2
203.10562	1.3
205.08627	1.9
209.06017	1.1
209.09608	1.1
210.06732	3.7
210.14925	1.9
211.07434	3.3
212.08344	4.1
213.09091	22.2
214.09590	1.6
215.08615	1.5
215.10608	6.6
216.11018	0.7
217.08508	1.9
217.10199	1.9
217.15799	2.7
219.04639	0.7
219.08090	1.1
223.07573	1.2
224.08185	1.3
225.09091	11.3
226.07785	0.8
227.10632	1.3
228.07661	1.3
229.08543	1.7
229.10434	1.0
231.08017	2.1
231.10095	1.3
232.08812	1.7
233.09685	1.3
235.17006	0.9
237.09134	1.1
239.08653	0.7
241.08524	0.8
242.07143	1.0
242.09425	1.6
243.08029	1.7
243.10155	18.1
244.10693	0.9
245.09573	3.7
245.11865	2.2
246.10432	1.2
247.07573	1.8
248.08327	2.3
249.05542	0.9
249.09096	1.9
255.10188	5.7
257.09494	2.9
258.06775	1.0
258.10452	1.6
259.07532	1.9
259.11319	1.2
260.08292	2.1
261.09122	4.8
262.06439	0.7
262.09750	1.7
263.07111	0.8
263.10648	1.5
264.07834	2.9
265.08557	2.8
269.09402	0.9
271.07535	3.1
272.08163	1.3
273.11246	53.6
274.06473	0.8
274.09424	1.5
274.11661	2.5
275.07349	1.1
275.10703	3.3
276.07837	2.7
276.10791	0.8
277.08572	4.7
277.12253	2.2
278.09369	2.5
278.12372	1.1
279.06516	0.8
279.10168	0.7
281.08368	0.6
285.09134	3.5
286.09860	1.8
287.06979	1.9
287.10577	1.8
288.07748	1.5
288.11258	1.0
289.08615	4.2
289.12219	2.7
290.06247	0.6
290.09341	2.3
290.12411	0.6
291.06720	0.8
291.10059	6.4
292.07236	2.9
292.10812	1.9
293.08102	2.9
293.11707	3.3
294.08862	1.3
295.09686	1.0
301.08618	1.8
301.12173	1.0
302.09445	2.5
303.10175	6.3
304.10767	1.9
305.08173	1.8
305.11826	3.3
306.08823	1.6
306.12326	1.0
307.09628	9.7
307.13232	1.0
308.10287	5.5
309.11237	1.7
315.10184	1.0
316.10849	0.9
317.08316	0.8
317.11624	3.5
318.08945	1.1
318.12433	1.6
319.09531	1.9
319.13232	1.7
320.10327	2.4
321.11169	6.4
321.14600	0.7
322.11871	1.9
323.12839	2.0
325.10751	2.8
325.14267	0.7
329.11768	1.2
331.09525	1.1
333.11111	3.2
334.11981	2.3
335.12759	7.8
336.13446	3.0
337.14328	2.1
339.12396	3.1
346.12045	0.9
347.12711	1.7
348.13803	0.7
349.14340	4.6
350.14847	0.9
351.12277	12.0
351.16068	0.6
352.12793	1.4
353.13818	3.1
354.14584	17.4
355.14951	1.5
361.14331	2.1
364.12952	0.8
365.13782	1.0
366.14600	1.6
367.15445	3.7
379.15372	12.4
380.15732	1.0
397.16458	100.0
398.16791	10.0
398.21756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91930	1.1
54.61754	1.1
55.01864	2.2
57.03429	3.1
69.03423	5.6
69.54615	4.9
71.61307	1.1
73.02917	1.7
79.05495	1.5
80.05009	9.4
81.03415	3.7
81.07082	2.7
85.02908	13.2
86.03223	4.0
86.07183	1.2
87.00829	5.1
88.08303	1.3
91.05511	2.4
93.07043	3.1
95.08608	1.6
97.02900	7.3
97.06538	1.9
98.03216	1.8
98.06051	3.0
98.23474	2.2
99.04474	2.4
100.04826	1.7
105.01873	6.7
105.07021	2.5
106.02206	1.3
106.06534	1.2
107.08576	1.5
108.04364	1.0
108.08107	6.3
109.02887	3.4
109.06512	1.2
109.10199	1.3
110.03227	1.6
110.08960	1.7
110.09676	15.8
115.05448	2.0
115.77373	1.2
117.07035	2.3
118.06545	29.6
119.08599	3.4
127.03918	8.6
128.04248	4.0
130.06532	7.6
131.08540	1.7
133.10153	2.6
137.06003	3.7
137.08339	4.7
138.05504	13.2
139.06276	3.3
142.06531	3.0
143.07283	3.8
144.08095	18.3
145.04961	3.6
146.06021	74.4
147.06371	3.0
147.11679	1.8
148.11234	1.5
159.02866	2.9
160.03224	1.8
161.09663	1.5
165.61743	1.2
166.12282	53.8
167.12608	2.1
168.13742	1.0
170.06027	6.2
177.05447	2.0
184.11221	3.1
188.07076	48.1
189.07413	3.6
203.05243	1.4
210.14899	86.6
211.15233	4.6
217.15939	2.3
224.12830	4.0
224.16431	1.2
232.05202	1.4
235.16956	3.2
249.14658	7.1
250.14403	6.8
257.13379	1.3
268.15399	12.8
273.11295	2.3
293.13611	11.3
311.14594	1.6
353.15195	8.7
353.19406	1.8
354.22644	4.3
397.14694	71.6
397.21182	100.0
398.15088	6.2
398.21414	11.5
398.25543	2.1
413.21790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2221
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
55.05512	4.1
57.07073	2.8
65.03918	1.3
67.05490	5.7
69.03423	6.3
69.07073	6.7
69.07401	1.2
71.08643	2.1
71.10492	1.3
71.74287	1.3
79.05498	4.2
81.07056	16.6
83.04948	1.4
83.08619	4.2
85.02921	7.6
85.06527	1.5
87.59734	1.1
91.05486	5.6
93.07040	9.3
95.04964	2.0
95.08601	11.4
96.08923	1.4
97.02884	2.0
97.06525	4.3
100.11231	3.5
105.07027	19.4
107.04942	1.7
107.08587	14.6
109.06521	15.2
109.10149	15.8
117.07001	2.1
119.04875	1.2
119.08569	17.1
121.06499	11.7
121.10132	17.4
123.08067	2.9
127.03878	2.9
129.07019	2.8
131.08510	3.0
133.06552	1.5
133.10121	28.7
135.08049	29.6
135.11655	1.7
137.05981	2.4
142.07806	3.1
143.08588	7.2
145.04993	2.0
145.06395	1.4
145.10098	3.2
146.07249	7.0
147.08072	10.0
147.11664	7.4
149.09564	3.3
151.11180	9.2
157.10083	9.5
159.11678	5.5
160.08821	2.1
161.09618	100.0
161.13208	3.2
162.09950	4.4
168.10246	1.7
171.11679	2.7
173.13281	3.8
175.11179	18.7
175.14822	2.5
177.12874	1.4
187.11115	1.4
189.12704	2.8
189.16377	21.9
199.14777	8.4
205.15936	1.6
210.14838	1.9
217.15866	74.9
218.16191	4.5
218.72194	1.2
219.17400	1.5
235.16919	55.2
236.17198	3.0
258.11505	1.3
293.13528	2.4
308.54767	1.2
397.14517	12.4
398.15204	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60427	0.3
69.18718	1.1
69.19124	0.7
71.16808	0.3
78.38863	0.3
81.64862	0.3
94.16197	0.3
98.22710	0.6
100.12592	0.3
104.27673	0.3
123.51744	0.3
125.75092	0.3
159.98836	0.3
329.79791	0.3
397.23499	100.0
398.23831	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	397.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.8
55.01877	3.8
55.05512	21.7
57.07071	5.5
64.47643	1.5
65.03941	2.1
67.05507	31.8
68.99790	29.3
69.07067	20.7
70.62223	3.8
71.05039	2.6
71.08633	3.2
78.03144	1.7
79.05504	14.0
79.68726	1.7
81.07059	34.8
81.90173	1.7
83.04999	4.8
83.08628	7.6
85.02911	6.7
90.19855	1.6
91.05484	51.2
93.07056	15.2
95.04994	5.4
95.08608	25.7
97.06535	3.9
97.10163	4.5
103.05478	2.9
105.07050	10.3
107.04967	4.0
107.08608	8.9
108.08138	12.1
109.06520	5.1
109.10175	13.2
111.04459	12.2
113.02358	15.5
115.03935	100.0
116.32655	2.1
117.07014	9.8
119.04942	2.6
119.08577	12.2
119.57335	1.8
121.06503	4.4
121.10161	7.5
123.04440	2.4
123.08055	2.4
123.11755	9.7
125.05978	6.0
127.03944	4.2
129.07010	7.4
131.04919	2.6
131.08554	15.5
133.06477	3.0
133.10141	8.0
135.08087	2.1
135.11678	4.3
137.06004	5.6
137.09647	3.3
137.13261	5.5
139.03905	36.4
140.99057	1.6
141.05469	2.6
141.07022	1.8
143.03400	88.7
143.08585	5.6
144.03770	1.8
145.10132	7.8
147.04376	2.5
147.08063	4.8
147.11682	3.3
149.06006	2.9
149.09634	4.0
149.13228	2.8
151.07587	5.7
153.01790	2.0
153.05458	7.8
155.03369	4.9
155.08511	2.3
157.06548	2.1
157.10089	3.9
159.08090	2.0
159.11722	6.3
161.05994	4.9
161.13220	2.5
163.07544	3.9
163.14870	1.9
165.05521	3.4
165.09099	2.3
167.03392	4.8
167.07040	2.1
167.08650	2.4
171.08089	3.7
171.11707	4.8
173.05904	1.7
173.09663	2.9
173.13223	2.3
175.07559	5.0
175.11241	2.7
175.14841	3.3
177.05476	3.2
177.09111	4.9
179.07097	12.9
181.08702	3.3
181.10170	1.8
182.29146	1.8
185.04402	2.2
187.07545	2.4
189.09132	6.6
189.16397	5.4
191.07072	4.1
191.10674	2.2
193.08626	16.4
197.08080	5.5
199.14836	6.7
201.16391	40.4
202.16882	4.2
203.10753	4.7
203.14363	2.6
205.08585	2.9
207.10214	3.7
209.08080	6.3
211.09712	8.3
213.09103	2.5
213.12675	2.0
213.16451	3.9
217.12198	3.3
219.17532	7.2
223.09689	3.5
227.17801	3.6
228.92473	1.9
231.10130	4.0
231.13718	3.2
233.11688	3.0
235.13445	2.4
237.11115	3.3
237.16417	5.8
241.15814	2.2
245.11765	2.6
245.18895	2.5
251.12740	2.1
255.17445	3.9
261.22327	1.9
269.13696	2.1
269.19046	3.9
273.18536	9.0
277.14050	1.9
283.16934	5.0
287.20065	10.0
289.21722	4.7
297.18500	3.6
301.17984	5.2
305.21182	9.5
306.58548	1.9
308.29318	2.3
315.19568	20.1
333.20630	54.7
334.21021	4.2
365.23145	11.4
381.27753	2.5
397.14499	2.0
397.25742	2.0
398.30450	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	397.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76891	1.2
58.00174	1.3
69.42867	5.1
80.00925	1.3
84.84746	1.5
98.22868	4.4
98.23540	2.5
99.56133	1.6
99.56795	1.3
101.61922	1.2
116.64491	1.2
120.78327	1.3
174.05084	1.3
178.53114	1.2
338.99689	1.7
355.24625	5.9
397.29233	100.0
398.29712	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	397.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54078	0.4
56.79028	0.4
80.08128	0.4
98.23010	0.6
139.26166	0.4
193.97874	0.4
220.15645	0.5
355.24603	1.5
397.29233	100.0
398.29587	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	398.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.01861	1.0
56.96553	0.8
57.03439	1.8
61.02921	1.8
67.05486	0.6
68.99781	0.7
69.03431	7.5
69.07062	2.0
70.06570	0.7
71.04998	1.1
71.44346	0.7
73.02910	1.4
74.66663	0.5
77.03915	0.6
79.05509	0.5
81.03407	5.6
81.07053	0.9
81.66386	0.5
82.33068	0.5
85.02905	17.1
86.03227	0.6
86.06059	0.7
86.09713	0.9
87.00829	8.0
91.03953	0.6
91.05485	0.8
93.07046	0.6
95.04951	0.6
97.02898	11.3
97.06548	1.0
98.97575	1.9
99.04452	3.6
103.03921	0.5
103.05462	0.7
104.04992	3.8
105.01862	8.4
109.02872	9.6
115.03931	1.9
115.07579	2.1
116.98649	0.9
119.08524	0.6
127.03917	15.2
128.98596	0.6
129.01849	0.6
130.08583	0.8
131.04930	1.6
132.04453	100.0
133.04814	3.4
133.08609	1.1
137.09599	1.1
145.04977	4.4
148.05270	0.8
150.05516	10.0
159.02882	1.6
163.06166	0.6
163.07516	1.0
165.09140	0.7
167.07062	1.0
183.10220	1.0
184.07364	1.5
187.13260	1.0
201.11243	1.5
213.03929	2.2
231.05072	2.5
235.09297	0.6
236.06128	1.5
237.02794	0.7
266.08795	1.6
266.14871	1.2
311.13373	0.5
338.05441	0.7
356.06577	3.0
398.14893	1.0
398.18906	1.3
399.11856	1.2
399.16711	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
56.02145	0.5
57.03429	1.6
59.05015	0.8
63.54716	0.5
67.05498	3.9
67.77465	0.6
69.03422	5.4
69.07061	2.3
69.62407	0.8
69.62756	1.9
73.02901	1.0
79.05490	1.2
81.03406	0.8
81.07072	1.3
85.02901	7.5
86.49464	0.5
87.04473	3.8
91.05478	9.2
93.07043	7.2
95.08609	10.5
97.02886	4.4
98.45495	0.7
101.02390	5.4
108.34130	0.6
109.02875	0.7
109.10153	8.2
111.08055	1.4
115.03924	4.8
119.08587	36.0
120.08932	1.4
123.08037	0.9
127.03938	1.0
133.04965	7.6
137.09618	36.3
137.31482	0.7
138.09898	0.9
145.04959	2.4
147.08037	4.5
150.07576	1.5
155.10672	3.7
163.05978	1.5
165.09128	6.1
167.06989	1.0
183.10133	5.1
189.86290	0.6
201.11220	100.0
202.11571	4.4
219.12288	15.5
220.12631	0.8
279.55258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
64.26986	0.5
64.32108	0.6
67.05504	4.6
69.03424	1.7
71.41868	0.6
73.02905	0.7
81.07063	0.8
83.17584	0.6
85.02914	4.0
91.05485	10.5
93.07041	6.7
95.08606	12.2
97.02901	0.8
99.57484	0.6
101.02386	6.2
105.07041	0.7
109.10162	8.1
115.03952	0.6
119.08581	37.2
120.08938	1.2
137.09616	41.5
138.09940	1.6
147.08070	3.9
155.10698	4.2
165.09120	7.3
183.10175	6.1
201.11220	100.0
202.11591	4.6
219.12276	16.3
219.28363	0.7
220.12601	0.8
225.89406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05504	3.1
57.03438	1.3
59.05001	2.2
61.02931	1.4
67.05504	32.2
69.03433	5.2
69.07070	1.4
69.42337	1.7
71.04974	1.9
72.04510	0.6
73.02909	0.8
79.05491	0.6
81.03409	2.1
81.07056	3.6
83.04976	1.3
83.08627	2.9
83.93642	0.5
85.02901	14.3
85.06515	1.3
87.00810	0.8
91.03928	0.6
91.05483	1.6
93.07034	1.8
93.87926	0.5
95.08602	2.2
97.02878	5.0
99.04446	1.1
100.11260	1.7
105.01876	1.1
105.07033	1.4
107.08575	1.2
109.02856	1.7
109.10154	49.6
110.10493	1.3
111.04427	0.9
111.08095	1.7
119.08596	4.9
121.10156	0.7
127.03933	3.3
127.11175	0.6
137.05923	0.8
137.09610	3.9
145.04997	1.9
145.10059	1.6
152.05688	1.1
155.10658	23.3
156.11020	1.0
159.11722	1.0
163.07561	1.9
173.11732	100.0
174.12097	3.4
182.15414	2.3
183.10194	1.6
201.11215	31.8
201.16284	1.1
202.11586	1.4
210.14850	3.6
219.12267	17.9
219.17371	1.3
220.12605	1.1
231.05096	0.6
237.07663	1.0
291.13474	0.7
295.00357	0.8
337.21265	0.7
354.23932	1.2
379.17282	0.6
382.23154	0.6
398.32495	1.1
399.16376	1.0
402.32703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
55.05512	4.8
57.07074	3.1
67.05508	5.6
68.05009	2.6
69.03426	5.6
69.07064	5.2
69.11722	1.3
69.12061	10.4
70.06582	3.0
71.08646	2.7
79.05495	4.5
81.07054	7.0
81.27136	1.5
83.08614	3.8
84.04505	4.4
85.10194	1.8
86.06062	15.8
87.04467	20.9
91.05473	3.3
93.07055	3.5
95.04951	1.8
95.08607	2.9
96.04477	3.3
97.10208	1.5
98.06058	25.2
98.22703	4.0
105.07030	3.3
107.08582	3.7
109.10204	1.8
112.03957	4.4
112.46259	1.6
119.08593	2.7
121.10155	2.2
122.88364	1.5
124.03939	2.9
124.07581	5.6
126.05528	7.0
128.07086	2.0
128.10765	1.9
135.11642	1.5
138.05582	1.6
140.03432	25.2
147.08034	2.7
152.03450	1.6
152.07080	15.0
154.08600	2.0
161.06013	2.1
161.13252	2.4
164.28615	1.8
166.08681	2.3
168.06575	3.8
170.04494	3.2
171.11653	2.2
180.06519	8.7
189.12709	5.2
195.13835	1.6
199.76418	1.5
208.06091	5.7
238.18069	3.9
252.15878	7.6
264.19583	26.4
265.19751	2.9
274.18140	2.3
280.15472	4.4
292.19095	12.2
298.16516	19.9
302.17606	6.4
312.18091	20.2
320.18515	4.8
322.20023	3.9
348.18057	100.0
349.18475	6.3
380.20676	21.2
381.20975	2.2
398.17242	2.3
398.21735	18.7
398.26514	3.4
398.32462	2.0
399.21930	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	5.5
56.21673	2.1
57.07070	5.0
67.05505	11.4
68.05022	2.6
69.07065	8.3
71.08633	3.7
72.33157	2.2
74.00661	6.6
79.05476	3.9
81.07054	34.8
85.02924	3.8
87.04451	16.9
88.03994	15.4
88.07627	7.4
91.05509	2.1
93.07037	10.1
95.08617	15.4
102.00122	2.5
102.98457	3.1
107.08587	5.2
109.10165	8.9
111.11716	2.4
112.23868	2.0
116.01661	4.1
121.10133	9.7
123.11700	4.4
126.22202	2.1
130.12558	2.2
134.02724	3.5
134.21851	2.4
135.01117	47.2
135.11717	2.6
137.05943	4.1
139.07597	4.2
141.99149	2.4
149.13281	5.9
167.07057	9.8
167.14398	2.7
176.03760	100.0
176.05295	4.9
183.06525	12.2
198.98860	2.3
293.17386	3.2
336.32465	5.0
398.31158	4.9
398.36264	29.4
399.25040	3.2
415.18872	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	398.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.5
57.07079	1.5
65.03940	1.6
65.17101	0.7
67.05514	1.2
69.03434	3.2
70.62180	0.9
71.08617	0.9
81.07048	0.7
83.08622	1.0
90.06305	0.6
93.03426	1.0
95.08601	0.9
97.10165	1.6
98.23405	0.7
102.87106	0.7
107.08557	0.6
111.04458	3.8
117.07058	1.0
121.02872	3.3
123.04395	1.6
131.08569	0.8
139.03897	100.0
140.04211	2.0
149.05992	1.3
151.07553	1.7
153.05467	0.7
158.25351	0.8
163.07605	2.5
164.71049	0.7
177.09105	1.1
181.04951	2.7
183.01419	0.9
194.69252	0.7
201.02538	1.1
212.01607	1.7
213.02437	2.6
231.03526	1.2
261.18494	5.1
279.19547	33.4
280.19910	2.0
297.20724	3.5
321.20615	6.0
339.21512	4.6
353.18057	6.5
371.19138	17.2
376.00571	0.7
376.19611	2.6
386.28610	0.7
394.20612	3.1
399.30725	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	398.9763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98636	0.2
56.96284	0.3
56.96564	6.9
60.18609	0.2
60.65100	0.2
70.93372	0.2
71.95267	0.3
98.97580	78.8
99.97974	0.3
116.98618	35.9
117.98885	0.2
124.65146	0.2
130.93311	0.7
134.99652	9.8
140.00189	0.5
153.00664	0.8
154.93364	0.3
157.44711	0.2
172.94342	3.7
190.95403	3.3
197.95181	0.2
208.96451	0.7
213.28908	0.2
214.95407	2.9
230.98653	0.2
232.96452	6.0
250.97491	2.3
256.96423	15.4
257.96744	0.3
258.99771	2.9
274.97495	100.0
275.97797	2.3
276.97910	0.4
277.00803	2.6
278.00980	0.3
292.98547	46.9
293.98996	1.0
294.98920	0.3
297.99142	1.8
298.97815	0.3
310.99484	0.3
316.00284	0.6
316.98816	0.3
331.99625	0.5
333.96872	0.2
398.97656	1.8
416.98761	3.6
417.98694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01622	0.4
55.01874	1.2
61.62605	0.3
65.03961	0.4
67.05501	2.6
68.99792	1.7
69.03442	0.9
69.07059	0.4
70.61440	0.7
71.04991	0.4
72.68694	0.3
73.02905	0.3
73.47648	0.3
77.03943	0.8
79.05498	0.4
81.03427	0.6
81.07045	0.4
85.02917	1.6
85.06559	0.7
89.03910	1.4
91.05492	2.2
93.07039	1.8
95.04980	3.2
95.08603	2.0
96.08939	0.4
97.02821	0.6
101.02395	0.6
105.03387	1.0
105.07022	0.6
107.04980	0.7
108.08104	0.9
109.10093	1.5
111.04433	0.4
117.03362	0.4
119.08588	6.0
120.08909	0.9
122.03667	1.0
123.04431	100.0
124.01570	0.8
124.04741	3.0
133.02837	2.0
134.03592	0.6
135.04420	4.3
137.05989	0.6
137.09618	5.2
138.09932	0.9
139.03999	0.5
139.05547	0.5
141.05458	4.1
145.04948	0.3
147.08081	1.0
150.03105	2.9
151.03928	1.6
152.01073	1.6
153.01830	0.6
153.05463	0.4
155.10664	0.5
161.02348	5.0
165.09094	0.8
166.02654	0.7
167.03401	58.0
168.03778	1.5
170.02113	1.4
171.04338	0.3
173.05971	0.9
179.03395	2.9
183.10019	0.4
185.04477	0.5
190.38078	0.3
199.07623	0.4
201.05438	1.4
201.11223	13.2
201.16359	0.5
202.11565	2.2
204.87503	0.4
209.04440	2.2
213.05501	0.9
219.12268	1.8
220.12579	0.4
227.06976	1.0
229.04932	0.7
238.14413	2.4
240.04124	0.5
242.05746	0.6
245.08104	19.7
246.08521	1.1
255.06528	0.9
258.05197	1.7
259.05908	1.6
269.04391	0.5
273.07571	36.7
274.07831	1.6
285.03906	0.8
286.04703	1.8
301.07083	14.7
302.07385	0.8
319.08118	7.1
320.08667	0.6
373.34009	0.4
381.02451	0.4
399.03851	8.4
399.11676	0.5
399.16232	1.1
400.19736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58792	16.8
70.58463	36.0
116.45919	20.7
265.91638	21.0
278.50986	20.0
291.07684	20.6
399.07001	100.0
399.10419	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51327	7.7
61.86293	8.1
69.69223	26.0
74.56918	8.0
98.22744	11.2
98.97585	19.6
181.06909	9.6
332.41525	8.2
399.06766	36.1
399.12378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61314	0.8
69.26886	2.9
70.06587	1.0
85.10177	0.8
93.05504	0.7
98.97587	1.3
114.10321	1.2
116.98635	0.9
151.03874	0.8
189.11166	0.6
203.05269	1.1
219.01767	1.0
219.17610	0.8
236.09146	0.9
237.02840	2.0
237.07291	3.2
237.09526	1.4
237.18896	0.8
291.03897	0.9
399.12564	100.0
400.12808	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	399.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40401	0.6
57.03433	1.0
69.03426	0.9
69.07063	1.3
69.53445	0.7
69.53754	2.8
70.06591	0.9
71.08605	1.1
81.03446	0.6
81.07061	0.7
81.51316	0.5
84.08125	0.9
85.02892	2.9
85.99221	0.6
86.06048	0.8
86.09699	1.7
91.25204	0.6
93.07046	0.9
97.02890	2.4
102.05515	0.8
115.07480	0.7
121.06421	0.6
127.03926	0.7
129.05530	0.7
129.10234	0.9
133.04903	2.0
144.92061	0.5
145.04976	0.7
151.03767	0.9
152.07024	0.6
157.30844	0.6
201.16313	0.9
217.62140	0.7
219.06357	0.8
237.07442	3.1
277.34271	0.6
318.48660	0.7
355.09946	1.3
367.75476	0.6
399.12616	100.0
400.12936	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46947	0.7
57.07100	0.9
58.59381	0.8
67.05535	0.8
68.35824	0.8
69.03403	1.1
69.07079	1.7
69.51048	0.8
70.02852	1.4
79.05495	1.1
81.07073	2.8
85.02903	2.1
91.05476	0.9
92.32697	0.8
93.07041	1.3
95.08601	2.1
97.02881	0.9
105.07061	1.2
107.08598	2.0
109.06561	0.9
109.10154	1.6
111.08112	1.1
119.08563	1.1
121.10180	1.0
127.00101	1.0
131.08597	1.1
133.10173	1.2
146.94304	0.7
149.13327	0.9
151.11136	0.9
159.11731	2.1
201.16406	1.5
221.90999	0.8
227.05351	0.9
228.73322	0.9
237.18469	4.0
263.88626	0.8
271.04373	1.9
313.16187	1.4
355.17200	18.5
356.17410	1.1
399.16269	100.0
399.27536	2.0
400.16788	9.5
400.21506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
65.44357	1.2
66.84380	1.2
79.05457	1.7
81.07063	3.2
85.02895	2.2
86.00599	1.5
87.77072	1.4
93.07072	2.2
95.08638	3.1
107.08613	1.7
109.10156	1.6
119.08568	2.5
121.10143	1.7
131.08597	2.0
133.10170	2.4
145.10136	2.9
159.11720	2.3
195.04839	1.5
201.16444	4.4
219.17517	4.1
237.18570	2.2
245.64838	1.5
271.04327	1.7
274.97525	1.5
313.16064	2.3
355.17264	16.4
380.42343	1.4
399.16339	100.0
400.16739	4.2
400.28494	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	399.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
90.53233	0.3
357.20328	100.0
358.20682	6.2
371.19037	0.6
398.43527	1.4
399.21414	12.1
399.30618	1.5
399.43875	0.5
400.21771	0.8
414.56049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2378
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.20390	2.9
54.64414	2.8
55.01867	5.2
55.05520	8.0
57.03432	8.7
57.07049	3.2
57.93436	2.6
61.02919	5.5
63.23831	3.1
66.90337	2.9
67.05504	13.7
69.03431	23.8
69.07063	8.7
69.73602	3.1
70.11874	6.1
70.12202	6.3
71.08670	5.1
73.02922	5.3
77.41285	2.7
79.05482	19.3
81.03409	4.0
81.07054	32.1
83.04993	4.0
83.08606	5.3
85.02905	57.7
91.05487	22.3
93.07034	26.0
95.04961	7.4
95.08607	37.4
97.02905	13.8
99.04448	6.6
101.02382	4.6
105.07027	39.0
107.08587	42.9
107.09245	4.7
109.02899	8.5
109.10163	17.4
115.03938	7.4
117.07022	11.3
119.08576	42.3
121.10151	21.0
123.04427	8.7
123.11778	3.4
125.09562	4.1
127.03944	16.8
131.08557	31.0
133.04956	6.7
133.10120	20.3
135.11699	13.7
138.02045	3.2
143.08583	6.6
145.04919	14.3
145.10123	56.3
147.11690	24.8
149.13275	5.4
157.10129	11.2
159.11694	44.5
161.13268	29.0
163.06059	4.5
163.14787	7.1
167.03442	11.4
169.10222	4.1
171.11737	6.8
173.13326	16.6
173.14558	3.7
175.14865	8.7
185.13264	5.3
187.14844	8.5
189.16394	9.2
191.17917	7.6
199.14816	10.0
201.16394	100.0
202.16692	5.6
203.17934	8.7
213.16418	5.2
217.15909	6.1
219.17439	79.4
219.19470	5.5
225.16425	3.3
229.15831	6.4
237.18468	37.2
238.18906	3.7
247.16948	18.7
273.18491	4.0
274.97437	3.0
277.17871	3.5
279.01898	3.4
285.18497	10.3
297.18756	4.2
303.19876	4.0
309.18423	4.6
315.19534	9.7
326.19650	3.5
327.19345	4.6
333.20535	4.4
344.91461	3.2
345.20782	14.7
363.21741	19.9
381.22821	11.8
399.12137	4.3
399.16864	20.1
399.23563	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	399.2376
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03960	2.8
53.68547	2.8
53.84036	2.2
53.98904	2.2
55.05508	6.2
55.39297	2.2
57.03440	6.4
57.07080	2.9
67.05502	10.4
69.03431	11.0
69.07067	6.4
70.06599	2.8
71.04990	4.4
79.05495	12.9
81.03432	3.0
81.07050	32.3
83.04996	5.2
83.38868	2.6
85.02899	30.8
91.05465	20.5
93.07037	27.8
95.04971	7.4
95.08608	42.5
95.32253	2.6
97.02898	7.3
97.06527	5.1
99.04438	2.9
105.07018	39.8
107.08595	38.8
109.02898	8.3
109.06528	3.1
109.10137	19.5
111.08047	3.7
117.07034	9.0
119.08583	26.4
121.10151	22.7
122.19553	2.7
123.08058	4.9
123.11658	3.5
127.03932	9.0
129.05545	4.1
130.07848	3.0
131.08565	27.6
133.10124	23.6
135.11671	15.9
137.09700	3.8
137.28072	2.4
143.08470	3.7
145.04977	5.4
145.10127	54.1
147.04332	3.5
147.11668	25.1
149.09593	3.5
149.13254	4.8
153.12766	2.7
157.10146	4.1
159.11699	39.4
161.13274	15.2
163.11203	4.3
165.01801	3.2
169.10480	2.2
173.13257	8.2
175.14867	8.7
189.16295	6.6
191.17984	11.5
199.14796	5.2
201.16382	100.0
202.16809	8.6
203.17961	15.2
219.17432	93.8
220.17870	4.6
231.02716	4.3
237.18468	48.8
238.18900	4.4
331.06705	3.3
363.22040	2.7
394.38962	2.5
398.82318	3.7
399.16245	27.8
399.19800	1.5
399.24130	4.4
400.16287	2.9
404.02393	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	399.2379
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03939	0.7
55.01868	1.2
55.05507	4.1
57.03436	1.4
57.07063	1.9
61.02917	2.0
62.23967	0.6
65.03898	0.7
67.05157	0.7
67.05507	9.7
69.03429	29.1
69.07066	6.0
71.04977	1.2
71.08608	0.6
73.02914	0.9
73.97073	0.5
77.03948	0.5
79.05499	4.6
80.06496	0.4
81.03413	1.9
81.07059	12.9
83.04968	1.6
83.08620	2.3
85.02409	0.7
85.02905	13.8
85.06540	7.3
85.10217	0.5
87.04469	1.0
90.07433	0.6
91.05470	6.2
91.42708	0.5
93.07045	38.8
95.04975	3.2
95.08604	13.5
97.02881	4.1
97.06524	4.1
98.97606	0.6
99.04408	0.6
103.05320	0.7
105.04500	0.8
105.07026	8.9
107.04955	2.5
107.08595	21.5
108.08894	0.7
109.02854	1.6
109.06523	7.9
109.10157	33.2
110.10506	0.6
111.08086	12.1
115.05426	1.1
117.07021	6.0
119.08578	8.8
121.06518	5.4
121.10139	15.5
122.07310	0.8
123.08077	6.5
123.11710	9.7
125.09619	2.5
127.03937	3.0
131.08592	4.4
133.10141	5.5
135.08049	17.6
135.11691	37.9
136.12001	1.9
137.06029	0.7
137.09615	22.0
137.10667	1.2
137.13184	0.6
141.11467	0.5
143.07164	0.7
143.08578	0.6
144.09364	0.5
145.04965	2.0
145.10117	10.5
147.11674	2.4
149.09612	3.4
149.13231	4.2
149.15416	0.6
151.11162	0.9
157.10135	0.9
159.11684	11.3
161.09608	2.1
161.13261	7.9
163.11165	10.5
163.14801	0.6
173.13258	2.5
175.14835	2.0
176.11989	2.9
177.12721	2.3
177.16367	4.2
189.16388	1.6
191.17964	2.1
201.16385	15.2
202.16760	1.1
203.17920	0.8
219.17433	100.0
220.17770	6.0
237.18463	5.3
399.19598	5.5
399.23761	1.5
400.19998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59129	0.7
55.05503	0.9
67.05508	5.2
69.07072	0.7
72.04528	2.5
81.07065	5.4
87.04483	1.1
88.02217	1.5
93.07076	0.7
95.08607	3.8
98.22913	0.8
109.10168	2.1
123.11731	1.1
137.05974	9.9
137.13300	0.9
151.07549	0.6
163.07600	2.3
177.09108	6.3
183.01341	0.7
185.02968	1.2
191.10698	1.2
203.11125	0.6
205.12311	0.7
212.01704	1.3
213.02489	1.4
219.10213	0.8
250.12407	0.8
286.26965	0.7
353.18042	3.7
357.27820	4.5
371.19168	8.7
371.23361	0.9
372.19403	0.9
376.19812	1.5
389.93637	0.6
394.20685	1.6
398.43683	0.8
399.25113	100.0
399.30612	13.8
400.25433	9.4
400.37610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2506
Annotation	Tris(butoxyethyl)phosphate
Peak:m/z	Relative Intensity
67.05509	5.9
68.46737	0.6
69.07056	1.2
69.66064	2.0
69.66437	1.2
72.04531	0.7
72.65077	0.6
74.45327	0.6
79.05492	0.6
81.07052	5.2
87.04494	1.3
87.84998	0.6
95.08608	5.3
98.22652	0.8
109.10162	1.7
128.18324	0.6
137.05981	10.1
137.13298	1.1
163.07568	2.2
177.09116	5.9
185.02921	0.7
191.10706	1.2
203.68666	0.6
212.01755	1.0
213.02490	1.5
219.10205	0.7
318.42126	0.7
353.18155	2.1
357.27850	3.8
371.19116	6.7
376.19666	1.1
394.20737	1.2
398.43356	0.9
399.25101	100.0
399.30551	11.1
400.17282	0.7
400.25400	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	399.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	1.0
58.55059	0.4
66.54868	0.5
69.60882	1.6
72.04514	6.2
88.02213	11.4
98.23000	1.8
115.80700	0.6
126.03027	0.6
137.05965	1.1
138.06731	0.7
168.07358	0.6
177.09090	0.7
183.01361	0.9
185.03036	2.3
201.02469	1.3
207.37952	0.6
212.01608	1.9
213.02448	3.9
230.02684	1.1
231.03433	1.3
238.12610	0.8
250.12627	0.8
317.16132	1.3
343.19861	0.7
344.16776	1.3
353.18076	8.8
354.18399	0.6
371.19131	25.0
372.19211	2.9
376.19751	3.2
394.20609	4.1
399.25537	4.9
399.30780	100.0
400.23862	1.8
400.31094	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	400.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28443	1.2
54.41130	1.0
55.01862	1.6
55.05492	2.0
55.38686	1.1
65.03927	1.4
67.05499	4.4
67.38486	1.0
68.17699	1.1
69.03419	7.8
69.07051	1.4
69.39314	5.4
72.13190	1.1
79.05480	4.6
81.03400	2.5
81.07043	3.0
83.68766	1.1
85.02884	8.3
89.82057	1.2
91.05486	2.1
93.07037	1.6
95.08611	2.3
97.02854	1.8
98.23466	2.2
99.04463	1.5
105.07021	1.8
107.04968	1.1
109.06512	3.4
109.10120	2.0
115.05447	3.0
117.07011	1.8
120.44912	1.1
121.06470	4.9
121.10104	1.4
127.03902	1.7
128.06242	5.9
128.07045	1.2
129.07007	3.5
130.12006	1.1
131.08534	4.3
131.86699	0.9
135.11681	1.3
137.05980	5.1
138.06763	7.7
141.06955	1.3
142.07770	1.3
143.08598	2.2
145.04890	1.3
145.05380	1.0
145.06464	8.0
145.10106	1.1
146.07199	1.3
147.04341	1.3
147.11676	1.1
151.07526	6.5
157.06451	5.1
158.07281	2.9
159.08032	2.8
161.05959	10.0
162.06737	2.3
163.07437	1.7
165.05492	3.2
171.07988	2.6
172.08858	13.4
173.05933	12.0
173.09450	1.4
175.07509	7.9
176.08360	1.3
187.07588	2.2
188.08318	29.0
189.08774	1.9
191.07086	1.6
202.16769	1.1
203.10654	100.0
204.11058	4.0
219.10086	3.1
221.11703	27.0
221.13362	0.7
222.11937	1.7
231.10135	2.0
245.11815	2.7
391.78116	1.3
400.18335	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	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	1.8
58.61219	1.2
59.10540	1.1
66.41713	1.2
72.52796	1.2
76.98386	1.5
81.07033	1.3
87.04446	2.2
88.77641	1.5
92.98355	1.2
98.23232	1.3
121.85753	1.3
137.05994	1.2
149.02321	1.5
150.02663	2.0
158.29953	1.3
175.48407	1.5
189.31816	1.4
196.80110	1.2
357.20367	11.7
358.20691	100.0
359.20923	4.6
372.19199	1.5
399.29993	1.3
399.43387	1.4
400.21191	12.4
400.30554	6.0
400.37784	3.6
400.43753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
55.05514	3.0
57.03230	1.8
57.03439	21.3
59.05002	5.0
61.02915	4.7
69.03069	4.3
69.03430	77.5
69.07059	3.5
69.54044	8.3
71.04980	3.2
73.02921	7.4
75.04485	2.6
81.03408	5.4
85.02903	100.0
85.06543	2.3
85.20668	1.9
86.03250	2.3
87.04467	51.7
91.03983	3.0
97.02890	61.7
100.11243	4.0
106.07362	2.0
107.04946	15.5
108.91725	1.7
109.02859	4.8
109.10132	2.6
111.04449	2.6
113.70562	2.0
115.03929	78.9
122.86163	2.2
123.04447	9.8
127.03905	17.8
128.07085	1.9
133.03944	4.4
133.04962	88.6
135.04440	2.7
138.95183	2.2
145.04944	38.5
145.10066	2.3
147.06509	1.9
150.07585	10.3
163.05988	21.2
164.66452	2.6
167.03352	17.7
173.11707	2.7
182.15379	5.1
183.15701	5.3
210.14952	3.4
211.15138	4.3
221.08081	2.9
229.08620	7.8
241.07135	3.5
251.14920	4.5
257.08160	9.9
259.07965	3.6
277.09164	2.3
295.10263	3.2
303.08389	2.8
304.11646	2.2
305.13788	2.2
338.21472	4.2
355.23932	2.6
383.04337	15.9
383.23730	3.4
384.04327	1.9
394.96072	2.0
400.26282	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00311	3.7
55.01885	3.4
57.03433	23.1
61.02925	5.9
62.81002	3.5
69.03431	65.2
69.59355	8.8
69.59673	4.4
73.02927	19.7
73.26219	3.3
81.03442	4.5
81.07044	4.7
85.02905	100.0
87.04467	41.0
91.03979	5.8
93.07069	6.5
97.02898	68.5
99.04471	6.5
109.02878	6.4
109.06464	3.6
115.03937	72.7
121.06543	5.3
127.03926	20.5
133.04965	79.9
145.04973	49.6
147.08055	3.6
150.07642	9.2
154.55649	4.3
163.06010	31.4
210.17464	3.6
221.08018	5.6
239.09065	4.4
251.14961	5.4
295.10300	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	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01877	3.6
57.03438	20.8
59.04977	3.2
61.02916	6.5
66.28965	1.5
68.29264	1.6
69.03432	69.5
69.25349	7.5
70.06586	2.5
71.01353	2.1
71.04956	1.8
71.08625	2.2
73.02910	4.5
75.04453	1.8
81.03425	7.3
81.07048	3.7
83.04936	1.5
85.02905	100.0
86.03230	1.9
87.00791	2.5
87.04470	47.3
91.03967	4.7
91.05515	1.6
97.02892	56.5
98.23364	3.1
99.04446	5.9
103.03915	2.3
104.98059	1.5
105.01868	2.7
105.07000	2.5
107.08604	2.3
109.02882	5.9
109.10118	1.7
115.03928	64.4
116.33945	1.6
120.08891	1.8
123.04483	2.0
127.03915	23.3
129.05943	1.4
131.95160	1.5
133.04970	76.4
134.05388	2.1
145.04965	34.5
149.42175	1.5
150.07617	7.9
162.13567	1.5
163.06030	17.6
166.45929	1.5
169.04979	1.9
221.83084	1.7
241.07100	2.4
251.14966	2.9
259.08206	3.8
277.09274	3.0
295.10306	3.8
357.15216	2.9
400.16632	23.1
401.13062	8.0
401.18622	12.2
410.74661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24210	0.5
56.96324	0.7
56.96566	7.8
61.58286	0.5
61.62791	0.5
70.08189	1.8
71.95214	0.6
97.73138	0.5
98.23383	0.8
98.97580	100.0
99.97926	1.3
100.97224	0.5
111.67264	0.6
116.98617	47.6
117.99017	0.8
134.99660	13.8
140.00171	1.1
153.00758	1.4
158.01279	0.6
172.94203	0.9
177.00995	0.8
214.95445	1.0
216.98790	1.4
221.01685	0.7
232.96512	1.5
234.99745	1.4
240.98619	5.6
241.98985	0.9
250.97278	0.6
256.96497	2.9
258.99753	66.2
259.99933	4.6
260.99756	1.8
261.03076	2.4
273.01340	0.6
274.97491	19.7
275.97815	2.3
277.00787	65.7
278.00949	5.5
279.00720	1.8
282.01285	1.0
282.99960	3.6
284.00006	1.1
284.99835	6.6
292.98465	7.5
294.98410	1.2
295.01840	1.1
298.97711	1.1
300.02542	1.4
300.98050	0.8
301.00928	3.3
302.01089	1.1
303.00787	6.8
304.00873	0.9
316.98782	1.4
317.98874	1.0
341.02505	1.1
358.99838	0.7
359.03760	4.4
359.99847	0.8
361.14902	0.6
383.00027	6.6
401.01001	23.6
402.01038	4.4
418.97897	2.1
419.02075	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	401.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54365	0.6
55.01841	0.9
55.05497	0.7
56.96564	21.0
56.98659	0.6
57.03403	1.0
60.05642	5.8
69.03399	1.5
69.67571	0.7
70.06591	26.6
71.04963	1.6
71.29292	0.7
71.41693	0.7
72.08163	4.2
79.05460	2.5
81.03364	0.6
81.07027	1.6
82.84328	0.7
83.04953	1.1
84.95570	0.8
84.96029	10.3
85.02879	3.0
86.09694	0.9
88.37933	0.6
91.05444	2.1
93.07026	1.3
94.51538	0.8
95.04936	0.8
97.02853	1.4
97.07626	1.6
98.97581	79.6
99.97918	0.9
102.97003	1.3
107.04941	0.8
107.08569	2.5
110.05974	0.8
110.97567	34.3
112.08710	8.0
112.99138	5.2
113.05957	0.9
113.07090	0.7
114.10285	3.7
115.08702	5.4
116.07092	9.5
116.98621	30.3
117.06994	3.3
119.08533	1.2
120.99521	0.8
121.06503	4.0
124.99031	1.4
127.03911	0.8
128.78136	0.7
128.98601	32.2
130.09711	3.1
130.99272	0.7
131.00134	4.3
131.12939	0.7
134.99644	8.4
135.08060	5.4
136.06168	2.0
137.02217	0.7
137.05887	1.2
139.03958	0.8
140.00139	1.1
140.98601	4.0
141.06596	1.8
143.00154	6.4
144.98064	2.4
145.04935	1.2
145.06462	1.9
146.99648	16.6
147.04407	1.3
147.07971	1.5
149.01169	2.2
149.05997	0.9
152.46568	0.7
152.98695	0.9
153.00630	0.9
153.09103	1.8
157.10806	1.2
158.09247	15.1
158.99628	7.7
161.01222	8.1
162.99109	1.4
163.07535	10.4
163.97809	2.7
165.00708	1.1
170.99658	8.5
175.11893	8.0
177.00693	9.6
179.02266	1.6
181.08539	4.9
181.98871	11.8
186.43825	0.7
189.00691	8.0
189.07509	0.9
191.07033	1.5
194.99754	1.4
199.99928	17.1
200.95274	0.7
201.00630	6.3
204.06526	0.9
207.01802	0.7
209.08141	1.4
210.99055	1.0
211.02652	1.3
213.00664	1.5
215.02231	4.8
218.00977	3.9
219.01756	59.1
220.02177	1.5
229.00142	2.5
233.03430	1.9
237.02803	100.0
238.03166	2.7
239.02319	2.7
239.13843	1.9
242.03400	1.7
251.02353	0.9
255.03857	6.5
257.03311	4.7
259.99927	5.9
260.04413	2.1
261.02939	2.0
269.03384	2.1
275.02139	1.9
278.00931	7.3
281.03378	3.2
283.04883	1.2
287.04269	1.1
293.03262	4.2
299.04370	2.5
323.04465	0.9
326.03098	4.4
341.05408	17.3
342.05661	0.9
344.04312	2.0
355.19754	2.6
357.21326	2.7
359.06464	44.3
360.06882	2.6
377.07782	1.5
382.07971	1.9
383.19046	0.8
401.07565	57.5
401.20251	65.5
402.07803	5.1
402.20944	4.2
419.08560	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.1
55.01868	7.6
55.05493	2.7
57.03431	8.7
58.78011	1.8
61.02919	7.6
65.03935	5.9
67.05516	2.9
68.99783	4.7
69.03433	40.7
69.07065	3.8
70.06577	4.2
70.38438	5.2
71.01344	2.2
71.04978	7.9
72.08145	6.8
73.02928	11.6
73.53870	1.9
77.29457	1.8
79.05486	7.6
81.03419	36.3
81.07072	10.7
83.04970	6.3
85.02908	85.7
86.09713	21.9
87.00830	42.2
87.04429	2.5
91.03956	4.1
91.05479	5.0
93.07060	9.9
95.04973	5.5
95.08603	7.4
97.02895	100.0
99.04459	22.4
103.05491	2.1
105.01866	37.7
105.07021	8.0
107.04951	2.7
107.08618	10.2
109.02876	19.7
109.06532	3.6
109.10138	5.4
111.04451	4.4
117.01814	4.1
119.08559	5.6
121.02865	53.6
121.06516	3.7
121.10161	5.7
122.03264	2.0
123.04424	3.9
123.11710	2.6
125.84463	2.3
127.03914	60.1
127.04861	3.3
129.01872	2.9
131.04922	2.0
131.08578	2.2
135.04361	2.2
135.11742	6.2
137.09605	3.4
139.03918	4.7
143.11807	2.5
145.04961	42.3
145.10110	3.3
147.11620	4.3
149.09592	2.4
151.03932	4.4
151.07530	3.1
153.05473	48.7
159.02879	18.0
161.09587	2.8
163.03897	16.2
163.11160	8.2
165.06987	2.4
167.06999	4.6
167.10622	3.0
169.08543	4.1
173.06105	2.2
175.07593	2.7
189.05502	2.1
189.09116	3.2
191.10677	4.4
203.05367	2.5
203.17949	3.2
219.10112	11.0
221.15425	2.3
227.12927	3.8
229.04939	5.7
231.05037	5.9
239.85783	2.2
247.05956	2.7
270.18143	3.1
327.12070	2.5
400.20361	4.8
401.07419	2.1
401.12799	3.4
401.17365	50.6
401.21704	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.144
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
55.01868	2.6
57.03434	0.5
64.65807	0.2
65.03940	0.7
67.05504	0.4
68.99781	0.3
69.03413	0.7
70.06584	0.5
71.34256	0.3
73.02905	0.4
79.05476	1.1
81.03421	0.3
81.07051	0.8
85.02916	1.7
85.06512	0.7
86.09702	0.3
91.05476	1.8
93.07028	0.7
95.04949	0.9
95.08593	0.6
97.02879	0.7
103.05452	0.4
105.07022	1.4
105.29514	0.3
107.04341	0.4
107.04953	3.8
107.08569	0.6
109.02880	0.3
109.06514	1.2
109.45453	0.3
113.05952	0.4
115.05428	1.2
116.42110	0.3
117.06921	0.3
119.04940	6.4
119.08575	0.6
120.05212	0.2
123.32564	0.3
125.05992	1.4
127.03894	0.3
130.06508	1.1
133.06491	5.3
133.07472	0.2
134.03647	1.3
137.05957	0.8
140.04640	0.7
141.05490	0.3
142.64243	0.3
143.04927	0.3
147.04402	26.1
148.04755	1.2
148.07544	0.4
151.03917	5.5
151.05020	0.6
153.05469	2.3
153.77333	0.2
158.06055	0.4
160.05162	0.4
161.05978	3.4
162.03122	1.1
165.05499	0.3
167.10681	0.9
169.43478	0.3
175.07553	0.4
176.07106	1.7
177.05457	100.0
178.05801	4.3
179.07025	8.4
180.07295	0.4
189.05466	0.6
193.08597	0.9
203.07068	1.0
209.15343	0.3
221.08072	54.5
222.08398	2.5
239.09131	11.9
239.16412	4.2
240.09470	0.5
401.13873	2.0
401.17651	0.3
401.28668	0.4
403.67239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
51.84960	1.2
55.01883	1.1
55.05514	2.9
62.76407	1.2
67.05490	1.6
69.03421	2.2
69.07938	6.9
69.08344	2.7
78.04699	1.5
79.05486	12.9
81.07051	4.7
85.02888	2.8
91.05472	5.3
95.04985	2.3
95.08636	1.6
98.23527	3.1
100.11270	1.9
105.04515	2.1
105.07014	2.4
107.04270	1.5
107.04970	24.0
111.04446	1.8
115.05457	2.0
116.06196	2.5
117.06976	2.7
118.86321	1.4
121.10134	1.7
121.14348	1.4
123.04418	3.0
124.05199	5.4
125.05961	1.8
128.05164	1.2
128.06204	2.1
129.06993	5.4
131.08572	10.3
133.02893	1.2
133.06500	1.4
137.05933	1.7
139.03882	1.6
139.11122	2.9
141.06943	6.1
144.05685	6.8
145.06471	2.8
152.04694	1.8
153.05461	1.5
154.07802	1.4
156.05687	9.1
157.06436	3.6
158.07207	2.1
159.08060	16.5
163.03906	2.0
167.07033	61.1
168.07387	2.0
169.06458	3.2
169.07701	1.7
172.05157	3.2
173.06015	3.6
175.07524	1.8
177.09090	1.8
178.07753	1.3
182.07101	2.4
184.05075	2.0
186.06677	4.7
187.07494	9.0
189.06995	1.6
190.06184	1.7
190.07770	2.5
191.07021	2.1
191.08563	2.3
194.07214	1.5
195.06566	2.6
197.06035	1.4
200.08310	1.8
201.09045	3.4
202.06183	3.0
202.07848	3.2
203.08601	2.7
204.07848	2.7
205.06584	2.2
205.08284	9.8
205.09993	5.8
207.06377	2.7
207.08177	2.3
207.10023	1.7
208.05179	14.9
208.08768	2.8
210.06746	1.8
210.14832	1.7
211.07565	2.2
215.08571	3.2
217.06644	2.3
217.08624	21.5
218.07271	4.1
219.08022	10.7
219.10176	3.1
220.08827	4.7
221.05968	6.5
221.09584	1.8
223.09499	3.1
229.08636	9.5
230.07294	2.6
231.08014	6.9
231.10112	2.9
232.08846	3.0
233.09627	5.2
234.06688	3.8
235.07475	2.9
235.11125	1.7
236.04681	3.9
236.08305	4.7
237.09102	1.6
238.06346	2.0
239.06978	1.8
240.04196	2.1
241.04895	1.9
245.05946	1.7
245.09692	3.1
246.06723	3.4
247.07478	14.5
247.09688	18.5
248.08237	12.2
249.05409	4.5
249.08923	4.1
250.06281	3.0
251.10719	2.8
252.07777	1.5
254.05724	4.9
256.07248	1.8
258.06827	2.0
259.07437	3.4
260.08878	4.5
261.09052	4.1
262.09830	5.0
263.07068	4.0
263.10632	9.2
264.07855	9.9
265.08554	5.4
266.05756	1.5
266.08786	1.6
267.06549	6.4
267.09857	1.6
269.08130	14.9
271.09579	4.1
272.06647	2.6
274.06247	1.8
275.06995	6.8
276.07834	7.0
277.08517	5.7
278.09009	1.8
279.07211	1.8
279.10120	9.6
281.07901	2.2
282.05579	2.3
282.08862	12.2
285.07574	1.7
289.08542	1.6
290.09320	5.6
291.10132	16.2
292.07227	5.6
292.10406	1.8
293.08026	10.1
294.08829	1.9
295.09467	1.7
299.09119	4.6
300.06363	1.6
300.09860	1.9
301.06863	2.7
305.08179	2.6
305.11609	1.7
307.06262	2.2
307.09598	15.9
308.10364	7.6
309.11203	2.4
310.08203	5.0
310.11667	1.4
311.12695	2.5
315.08612	51.3
316.09079	4.0
319.09641	11.8
320.10080	1.8
321.07455	5.7
321.10974	2.9
322.08322	3.0
322.11917	2.7
323.12671	16.6
325.10571	1.9
326.11053	1.6
328.09354	3.2
330.10962	61.5
331.11597	12.1
336.09805	5.7
337.10828	8.9
339.12143	10.1
340.12909	1.7
343.11746	15.5
350.11407	2.9
351.12228	25.5
352.12866	5.6
353.10123	8.4
356.12454	3.1
368.12518	9.7
369.13220	2.8
371.14780	3.8
383.14877	100.0
384.15262	7.7
401.16382	29.4
402.16309	3.1
421.78067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51182	0.3
74.59953	0.3
98.23466	1.1
98.97613	0.4
118.22920	0.3
135.50775	0.3
142.32524	0.3
203.05261	0.7
221.11490	0.8
221.33473	0.3
245.06331	17.1
314.04828	0.3
401.17847	100.0
402.18179	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66699	0.8
53.03934	3.7
55.01872	7.4
55.05512	10.5
57.03441	4.6
57.07077	5.4
59.04992	1.8
61.02929	6.0
65.03930	1.8
67.05507	10.8
68.99801	7.4
69.03429	30.6
69.07072	22.4
69.79229	2.5
69.79548	0.8
71.01356	3.1
71.04997	19.2
73.02912	2.2
73.06561	1.6
77.03925	1.6
79.05491	12.6
81.03417	21.1
81.07058	27.5
83.04985	3.2
83.08611	7.5
85.02907	39.5
85.06582	1.2
87.00832	17.3
87.04441	1.4
91.05485	16.7
92.36212	1.0
93.07040	20.3
94.07361	1.0
95.04977	10.5
95.08601	14.5
97.02895	17.6
97.06532	3.3
98.22729	1.2
99.04472	5.2
99.08079	5.4
103.03936	7.5
103.05457	1.2
105.01862	6.3
105.07034	20.3
107.04952	5.1
107.08590	22.5
108.08925	1.3
109.02878	14.5
109.06521	37.9
109.10157	24.8
109.89124	1.0
111.04440	4.1
111.08057	1.9
113.06005	1.2
113.09631	1.3
115.03911	6.1
115.05455	1.9
117.01827	1.0
117.07021	6.9
119.04932	2.5
119.08585	25.2
121.06506	13.1
121.10153	11.4
123.04428	4.1
123.08060	6.5
123.11709	8.5
125.05930	1.3
125.09618	1.7
125.13261	3.0
127.03915	15.8
127.07570	1.3
127.11189	5.3
128.06248	3.0
129.01862	6.0
129.06964	3.2
130.07762	2.4
131.08578	9.9
133.06488	3.0
133.10135	7.8
135.04430	1.7
135.08041	5.3
135.11688	10.9
137.05977	100.0
137.09590	8.1
137.13245	4.3
138.06313	3.3
141.06979	1.5
142.07745	1.1
143.08539	6.5
144.05716	1.0
145.04941	3.3
145.06491	2.7
145.10124	15.3
147.02898	3.8
147.08057	10.1
147.11679	6.8
149.05983	2.1
149.09618	3.0
149.13286	2.7
151.07558	3.5
151.11180	6.7
153.09126	1.2
153.12735	9.5
155.08527	4.1
155.10652	1.2
157.06499	1.9
157.10104	2.4
158.07286	1.0
159.02905	2.7
159.08029	3.9
159.11681	8.2
160.12054	1.4
161.05980	16.6
161.09637	3.3
161.13214	2.1
163.07539	2.8
163.11198	3.7
165.12750	10.0
166.13052	1.0
167.07025	1.5
171.02916	1.7
171.08096	3.7
171.11710	2.4
173.09621	14.3
173.13254	2.7
174.06787	1.8
175.07526	8.4
175.11166	3.5
177.09102	1.8
177.12726	14.1
179.07080	2.2
179.10710	1.1
179.14391	1.7
181.12282	1.4
183.08038	1.6
183.11678	2.9
187.07533	1.9
187.11125	2.3
189.03952	3.3
189.09125	2.9
189.12784	2.9
191.10628	5.6
191.14316	2.1
193.08635	1.3
193.12242	4.3
195.13786	12.4
196.14232	1.0
197.13254	1.4
199.11168	1.7
201.03952	4.2
201.09013	1.1
201.12738	3.1
203.07047	8.3
203.10632	0.9
203.17908	1.8
205.12195	2.4
206.72913	1.0
207.13745	2.4
213.03827	1.7
215.14326	5.2
217.12137	1.1
219.13800	6.1
221.15367	34.4
222.15700	1.6
225.12738	2.4
228.58783	1.0
231.04965	5.0
231.13914	1.5
233.15359	3.9
237.14819	6.5
243.13850	12.0
244.13943	1.5
245.15277	5.3
257.15381	1.4
259.16974	1.4
261.14841	16.6
261.75934	0.9
263.09198	3.1
279.15900	4.0
287.16406	5.8
333.23953	1.0
347.14764	2.6
347.18497	1.1
365.15976	4.7
383.17017	5.7
401.17999	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34095	1.6
53.03936	4.7
55.01860	6.5
55.05504	7.6
57.03424	6.4
57.07066	4.7
59.04986	2.1
59.57870	1.4
61.02921	5.5
65.03943	1.4
67.05502	18.6
68.99784	6.7
69.03431	24.8
69.07067	19.8
69.32412	3.3
69.32816	4.8
71.01348	3.3
71.04993	24.2
73.02911	5.3
79.05491	16.9
81.03411	19.8
81.07061	36.7
83.04960	3.6
83.08627	7.5
85.02903	30.7
87.00822	15.7
91.05482	20.2
93.07047	27.6
95.04947	11.8
95.08602	13.4
97.02897	14.6
97.06521	4.7
98.22724	3.9
99.04460	6.4
99.08085	5.8
103.03931	10.1
103.05496	1.9
105.01854	7.1
105.07037	23.2
107.04941	6.5
107.08593	19.2
109.02876	13.7
109.06516	100.0
109.10145	28.2
110.06879	2.2
111.04471	4.2
111.08018	2.7
113.04025	1.6
115.03928	7.8
117.07009	9.0
119.04935	2.4
119.07748	2.6
119.08583	41.8
121.06506	27.3
121.10151	11.4
123.04456	8.3
123.08062	5.1
123.11697	7.9
125.05956	3.1
125.13248	3.8
127.03908	12.3
127.11194	10.0
129.01857	10.5
129.07007	4.2
130.07770	2.1
131.08557	9.0
133.06476	5.5
133.10115	9.5
135.08015	5.8
135.11694	11.9
135.86382	1.5
137.05960	2.4
137.09602	11.3
137.13258	4.2
139.07571	2.5
139.11154	2.1
143.08560	4.9
144.09175	1.6
145.04915	1.8
145.06508	2.0
145.10135	12.2
147.02835	6.3
147.08073	9.1
147.11659	7.6
149.09666	4.8
149.13257	5.0
151.07544	3.9
151.11162	10.2
153.05467	2.0
153.12759	7.2
155.08537	5.1
155.10641	4.3
157.06499	2.0
157.10136	3.3
158.07346	1.9
159.02878	2.8
159.08028	3.7
159.11658	8.3
161.09612	4.2
161.13234	2.5
163.07469	2.9
163.11179	7.0
165.12773	8.8
167.14264	2.3
169.10185	1.9
171.08061	2.4
173.09631	17.6
173.13254	3.8
175.07571	6.0
175.11171	5.1
177.12721	21.4
183.11565	2.4
187.11252	1.9
189.03899	6.0
189.09094	2.2
189.12720	2.9
191.10606	8.7
193.12239	9.0
195.13799	38.2
201.03879	2.1
201.12746	5.5
203.17892	4.0
207.13805	2.9
209.11795	2.6
215.14268	3.2
219.13826	9.0
221.18980	1.9
231.04967	3.7
233.15370	3.8
237.14856	13.0
239.19965	1.7
243.13835	14.4
261.14871	21.8
279.16046	2.6
283.89777	1.5
289.44421	1.5
347.14917	5.6
357.19101	1.6
365.15939	4.9
383.16733	5.7
384.15942	1.6
390.21072	1.8
401.17712	7.3
402.07712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32336	1.0
56.17978	1.1
69.65263	2.3
80.94849	1.7
81.07066	1.6
97.77676	1.1
109.57087	1.0
111.85049	1.0
213.92557	1.0
313.67358	1.0
400.37241	1.5
401.22980	100.0
402.23291	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	401.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87187	3.9
53.61869	4.0
59.14458	3.9
61.63189	3.7
61.65218	3.5
62.25102	4.1
68.44928	3.9
69.43622	18.9
69.84486	4.0
73.41705	3.9
98.86877	3.9
109.08845	3.8
193.69992	4.3
250.39764	4.4
315.51392	3.5
359.21902	100.0
360.22079	6.4
373.14688	4.9
381.84149	4.4
385.14407	10.6
386.15451	9.2
387.15891	7.3
397.81134	4.4
401.13766	35.4
401.18494	55.0
401.23001	6.5
402.14145	13.3
402.18170	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	401.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.45217	0.6
69.35827	3.1
95.08629	0.6
99.40273	0.5
121.68737	0.6
174.95270	0.6
194.07985	0.8
220.15509	0.5
259.12985	0.6
283.20663	1.5
301.21625	1.1
359.21902	100.0
360.22284	6.6
400.24417	0.9
401.22910	8.5
402.23431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43762	0.8
50.60671	0.7
55.05503	1.3
65.69537	0.7
69.59201	3.6
70.06580	2.7
72.02694	0.7
83.08620	0.8
88.07634	1.5
113.80335	0.8
132.10213	1.6
135.17561	0.8
137.05992	1.8
150.11285	1.5
156.20129	0.7
163.07590	1.8
177.09059	1.3
189.09084	1.1
191.10651	1.2
342.47430	0.9
400.37784	5.0
401.22974	100.0
401.37329	4.0
402.23175	6.6
402.33597	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	401.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15500	0.5
55.05508	0.8
58.78060	0.5
69.54075	0.9
69.54461	1.3
71.54752	0.4
73.70458	0.5
81.07044	0.7
83.04996	0.8
91.05489	1.6
91.22161	0.5
92.05772	0.7
92.48568	0.6
93.07062	1.0
95.08599	1.0
98.23428	0.5
107.08623	0.5
109.08461	0.5
109.10207	0.7
109.92122	0.5
113.80889	0.4
121.10179	0.6
151.07570	0.5
185.13356	0.5
241.72435	0.5
265.19418	0.9
283.20596	1.6
301.21683	1.4
342.04745	0.5
359.21915	100.0
360.22238	7.3
400.24771	1.3
401.22839	9.8
402.23108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
69.53543	1.2
74.43789	0.4
77.88765	0.4
80.94845	0.6
83.81979	0.5
85.34421	0.5
104.39085	0.5
126.03169	0.6
131.15645	0.5
138.52481	0.5
152.38322	0.5
334.08359	0.5
401.22983	100.0
402.23337	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	401.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12733	0.7
55.05499	2.8
57.05462	0.7
57.07078	1.1
69.07056	1.3
70.06593	11.0
87.04458	1.0
88.07630	3.3
89.05968	0.9
96.92197	0.8
98.23085	4.3
102.09176	2.1
107.96924	0.8
112.07591	3.6
137.05948	4.1
151.07549	6.5
163.07549	1.2
177.09081	1.0
205.12224	1.0
235.76012	0.8
338.34155	2.9
339.34299	0.9
340.35687	0.9
400.37881	10.4
401.22949	100.0
401.38052	5.2
402.23288	8.1
402.39383	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.23
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53296	3.7
87.42579	0.8
114.52178	0.9
121.18514	0.8
137.05943	5.6
140.77788	0.8
148.52739	0.8
163.07536	0.9
167.49075	0.8
179.02200	0.8
279.73959	0.7
341.21017	2.1
401.22989	100.0
402.23331	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	401.2535
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
55.05501	3.4
67.05506	11.4
69.03395	2.6
69.07066	4.6
70.14258	6.8
78.62015	2.1
79.05479	7.4
81.03425	3.0
81.07068	26.2
85.02900	17.9
91.05498	7.3
93.07064	15.8
95.08599	43.8
97.02914	5.5
105.07035	16.3
107.08600	32.4
109.10140	27.6
111.08154	3.0
119.08573	13.2
121.10147	18.1
122.28500	2.5
123.11716	7.2
133.10100	12.4
135.11690	5.4
145.04939	4.3
147.11673	23.5
149.13297	7.3
154.67841	2.8
161.13239	10.9
163.14793	3.9
175.14842	4.2
203.17947	100.0
203.19856	4.8
204.18318	7.4
207.09451	2.5
221.18958	6.1
239.20047	14.2
293.69846	2.5
401.24872	3.3
401.32590	3.5
422.69751	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71620	1.2
55.01876	1.6
55.05508	3.5
57.03439	1.3
61.02930	1.2
67.05500	9.6
69.03420	4.9
69.07065	6.2
69.30676	5.7
71.05001	3.0
73.02903	1.9
79.05495	5.7
81.03395	2.0
81.07051	21.2
83.08627	2.0
85.02896	19.5
85.06540	25.6
91.05476	7.3
93.07028	12.9
95.04998	1.3
95.08602	34.4
97.02901	4.7
97.10164	1.4
99.04436	1.4
103.05447	1.5
105.07026	22.7
107.04965	1.6
107.08587	22.6
108.08982	1.2
109.02908	1.7
109.10143	26.4
111.08080	2.6
112.66670	1.2
117.07014	2.2
119.08562	15.0
121.06518	1.7
121.10129	14.4
123.08120	1.2
123.11670	6.4
127.03908	3.5
131.08551	2.4
133.06435	1.3
133.10124	16.7
135.08063	4.2
135.11679	4.0
137.05914	5.0
137.09622	2.5
139.07559	1.4
145.04993	2.5
145.10098	11.1
147.08086	1.4
147.11679	25.9
149.09596	1.5
149.13287	6.1
151.03792	1.2
151.07550	6.0
153.03108	1.0
159.11711	1.6
161.09650	1.4
161.13260	10.8
163.07469	1.5
163.14766	5.9
165.01817	2.4
165.09087	14.2
173.09653	9.6
174.10406	2.4
175.07544	2.7
175.14812	4.0
176.08371	1.3
177.09105	6.5
190.09889	4.6
201.09090	2.1
203.17940	86.6
204.18285	4.8
205.12227	91.2
209.11678	2.0
221.11699	4.3
221.19002	19.8
223.13274	100.0
239.09581	2.8
239.12830	3.6
239.20010	6.8
245.11832	1.4
247.13274	2.4
257.10898	1.2
305.13974	1.3
341.61810	1.2
365.23254	1.2
375.36908	1.3
401.15356	4.8
401.21417	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	401.2536
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
53.03939	5.0
55.01867	6.6
55.05509	10.8
57.03423	6.4
57.07045	3.2
59.04973	3.0
61.02916	6.6
67.05504	16.0
69.03431	28.0
69.07076	14.3
69.39066	4.1
69.39430	9.0
71.01344	3.0
71.04997	4.5
73.02897	7.2
78.62698	2.1
79.05491	11.6
81.03422	12.5
81.07054	40.2
82.03754	1.8
83.04974	4.5
83.08611	5.3
85.02902	100.0
85.06537	5.1
86.03270	2.2
87.00826	7.7
89.94384	1.9
91.03927	5.1
91.05476	17.7
93.07042	30.5
95.05003	2.9
95.08609	41.4
97.02882	24.2
97.06532	3.7
97.10197	3.0
99.04446	5.9
101.02432	2.1
103.03962	2.3
105.01864	9.6
105.07021	29.7
107.08596	44.5
109.02861	8.9
109.06506	4.5
109.10155	23.4
111.04429	3.5
111.08088	5.0
113.03460	2.1
114.81943	2.2
119.08578	33.3
121.09557	2.0
121.10160	22.5
123.04245	2.3
123.08074	4.7
123.11732	13.1
127.03907	23.5
128.00546	2.3
131.03430	2.7
131.08568	4.4
133.10120	21.1
134.10475	2.0
135.08046	3.6
135.11673	22.8
137.05994	3.1
137.13281	4.3
145.04953	23.4
145.10138	4.4
147.11671	34.8
149.13257	8.5
151.03911	50.1
151.05026	3.6
153.12749	5.3
161.13232	14.6
163.06053	3.9
163.11252	4.7
163.14822	15.4
165.12807	10.6
167.07053	2.7
175.14832	6.6
177.12726	2.5
191.14377	3.1
191.17987	2.0
193.12195	1.8
203.17920	33.8
221.18993	31.8
222.19336	3.6
225.07460	3.1
228.71046	2.1
231.04924	2.6
239.20050	53.8
240.20390	4.8
243.13902	4.2
261.14819	14.1
347.14914	5.0
351.19989	2.0
365.15747	2.2
383.15265	2.2
400.79944	3.0
401.10617	10.3
401.15930	3.0
401.21271	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	401.2687
Annotation	Vibsanin R
Peak:m/z	Relative Intensity
51.36768	0.5
53.03953	1.1
55.05510	16.0
55.05779	0.8
57.07070	1.7
57.31082	0.6
58.02011	0.7
59.48372	0.7
63.05028	0.6
67.05513	3.7
67.95696	0.7
69.07072	4.4
69.54846	1.1
69.55254	1.9
79.05484	3.9
81.07059	8.1
83.04980	25.0
83.08618	1.6
89.06082	0.9
91.05477	4.0
93.07043	14.7
95.04983	1.1
95.08612	13.9
95.09214	1.0
95.95628	0.6
97.06559	1.5
98.23499	0.7
99.08077	1.0
101.06014	1.8
105.07031	6.2
107.08594	14.8
109.06535	1.6
109.10152	9.9
113.09649	4.8
115.07577	0.7
117.07030	1.5
119.08590	8.3
121.06533	2.3
121.10144	12.3
123.08047	3.2
123.11704	3.3
125.09587	0.6
129.06996	1.2
131.08582	3.5
133.10133	3.9
135.11696	13.0
137.09610	3.2
139.11172	3.7
141.07011	0.9
142.07808	1.2
143.08568	5.1
145.10100	4.3
147.08006	1.2
147.11702	2.6
149.09607	2.0
149.13274	2.1
155.08548	3.6
156.09319	0.8
157.10114	6.0
159.08102	0.9
159.11653	3.5
161.09666	1.4
161.13271	2.3
163.11179	6.6
165.06984	0.7
165.09087	1.1
167.08574	2.6
169.10147	3.9
171.08046	1.5
171.11699	3.7
173.09634	0.9
173.13286	2.2
175.11192	2.0
175.14792	1.5
177.12770	4.3
180.09320	1.0
181.10127	5.4
183.11723	3.7
185.09628	1.3
185.13225	5.6
187.14742	1.4
189.12721	3.8
191.14410	0.9
193.12192	0.8
195.11749	4.0
196.12338	0.9
197.13338	1.1
199.14749	5.3
201.12749	1.9
201.16344	1.0
202.54944	0.7
203.12785	0.6
203.14278	3.3
207.11894	0.6
207.13820	2.7
208.12503	1.1
209.13249	4.6
211.14766	1.3
213.12683	3.1
213.16438	2.8
215.79068	0.7
223.14815	5.9
225.16428	3.4
227.14294	4.3
227.17955	1.0
231.13892	0.8
233.15567	0.7
237.16415	2.4
239.18018	2.1
241.15866	2.2
241.19411	3.0
243.17593	1.1
245.15419	3.2
255.17480	2.2
255.21078	6.9
257.19022	12.8
265.19504	14.9
266.19800	1.7
271.20786	0.9
273.22128	2.1
283.20554	38.3
284.20850	2.9
301.21625	45.8
302.22058	3.1
359.21918	100.0
360.22256	8.4
383.25613	1.2
400.24399	1.5
401.22803	7.8
401.26865	14.4
402.22916	0.8
402.27487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2689
Annotation	16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
Peak:m/z	Relative Intensity
55.05507	1.0
57.07077	0.4
58.31337	0.3
65.25527	0.2
68.99790	0.2
69.07078	0.7
69.30541	1.2
72.56063	0.2
79.39078	0.2
81.07059	0.4
83.20106	0.2
86.34148	0.2
87.04453	0.3
88.07568	0.2
95.08633	0.4
98.23451	0.5
116.80745	0.2
121.06498	0.3
137.06015	0.7
139.03871	0.3
144.19839	0.3
153.01843	2.4
153.05492	0.6
163.03944	0.7
167.03415	2.5
179.03392	0.8
191.07071	0.3
192.04169	4.8
193.04922	1.3
203.07249	0.3
204.04208	1.0
205.04961	11.5
206.05745	9.2
206.07724	0.5
207.06401	0.8
219.06522	20.4
220.07097	1.2
233.08078	2.3
247.09747	0.9
261.11185	1.8
275.12802	0.9
275.15781	0.2
289.14331	1.1
303.15918	1.0
317.17407	0.8
329.17841	0.3
343.19202	0.6
345.20773	0.4
358.20612	0.3
359.21756	0.4
388.18768	0.2
401.26871	100.0
402.27228	9.4
402.32571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41275	0.7
52.11765	0.7
52.75126	0.7
55.05493	2.3
57.07071	1.4
63.01947	0.7
67.05495	1.3
69.07070	3.2
69.61462	2.0
70.06576	1.8
71.08649	1.7
79.05485	3.2
81.07052	3.0
81.95855	0.7
83.01326	1.3
85.60855	1.0
88.07622	1.9
91.05474	3.3
93.07053	2.4
95.04977	2.0
95.08601	3.1
102.09187	0.8
105.07037	3.2
107.04964	2.3
107.08641	1.1
108.05753	1.1
109.06528	5.0
119.05022	0.8
119.08601	1.5
121.06496	5.9
123.04446	2.4
123.08067	7.1
124.05219	0.9
125.05994	3.0
129.07001	1.1
133.06433	1.0
135.08098	0.9
137.05980	28.5
138.06763	17.2
139.07599	5.3
147.11636	1.3
151.07539	25.5
152.08334	18.1
153.08769	1.1
155.28539	0.7
163.07553	1.4
165.09074	1.3
166.09917	2.6
167.28076	0.7
171.07979	0.8
172.08784	0.8
173.09578	0.9
175.07501	0.9
175.11151	1.6
177.09050	1.2
179.14311	2.5
183.57605	0.7
189.86377	0.8
191.10783	0.8
193.12283	1.5
194.13045	2.3
195.13870	1.2
197.09644	0.8
198.06834	0.8
199.07574	1.1
201.09071	3.4
207.13814	11.1
208.14491	2.7
213.09125	0.8
214.06349	3.6
215.06958	1.3
215.10696	1.9
225.33089	0.8
227.07121	2.4
228.07777	2.5
229.08607	7.3
233.11697	1.3
240.07971	1.0
241.08641	2.1
242.09283	1.4
243.10135	2.1
245.08090	2.2
246.08873	5.1
259.09659	3.9
260.10413	4.2
261.11218	15.4
271.16922	1.0
273.11197	2.1
284.14072	1.2
297.14822	1.4
298.15482	1.0
299.16458	2.8
316.16650	3.8
329.17471	1.8
331.19031	21.0
331.22433	0.8
332.19312	1.6
339.34592	2.6
340.35889	1.2
369.24509	1.6
397.42688	0.9
400.38004	2.3
401.26862	100.0
401.37982	8.5
402.27191	10.9
402.33026	1.4
402.39276	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	402.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.9
67.05491	1.2
67.55088	0.8
68.99790	1.9
69.03432	0.8
71.43776	0.9
78.90132	0.9
81.03437	0.9
85.02913	1.5
95.04941	1.5
95.08628	0.9
98.48242	0.8
109.07671	1.3
109.10126	1.0
111.00880	0.9
111.04440	1.5
121.02872	2.5
123.04430	26.7
124.04771	1.1
135.04381	2.3
137.02341	1.3
137.05966	5.7
137.07101	4.5
139.03947	1.9
149.02339	42.1
151.03879	1.1
153.01831	50.1
154.02214	1.0
155.08159	3.2
157.06473	1.6
161.02313	2.5
163.07558	1.3
163.43736	0.9
165.05507	1.4
166.16516	0.9
167.03404	5.3
175.07697	1.2
176.07152	0.9
177.05411	1.0
179.03334	1.8
185.05959	3.3
195.02832	7.8
203.03433	2.3
213.05490	6.3
221.19051	0.9
223.05083	3.2
223.09634	1.7
231.06528	34.5
232.06870	2.1
241.04999	2.7
258.05338	1.3
259.06012	34.2
260.06293	3.0
287.05533	17.6
305.06549	100.0
306.06906	8.1
332.82428	0.9
403.19269	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
55.01865	1.5
56.77205	1.0
57.03462	1.2
61.27108	1.0
69.97308	1.4
69.97639	1.9
71.05000	1.7
76.61130	1.2
81.03420	1.6
81.07056	3.9
85.02904	4.6
89.36606	1.0
91.05477	1.4
97.02890	2.0
97.68363	1.0
99.04425	1.4
99.08073	2.2
107.04951	3.8
117.07007	1.9
119.05020	1.7
121.06525	1.8
123.04493	1.9
125.06002	1.2
127.03930	2.3
135.08075	4.3
137.05981	24.0
138.06288	1.5
139.03979	2.3
145.06493	2.6
149.09627	1.3
153.01836	4.8
154.08653	2.3
156.66127	1.0
159.08110	1.3
161.05997	3.8
163.07544	74.8
164.07924	3.7
167.06960	2.3
177.02315	0.9
177.09093	17.0
178.09502	1.4
201.13263	1.1
203.06813	1.1
205.08556	24.7
205.12300	3.0
222.08360	1.3
223.09663	100.0
223.13080	21.1
224.09993	4.6
279.49945	1.2
289.08838	1.7
307.10367	1.1
343.11621	1.2
384.15088	1.8
401.07288	1.2
402.17780	8.0
403.19012	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	402.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03430	2.3
67.05512	0.8
69.03447	1.1
69.23725	2.6
69.24110	1.8
77.66199	0.8
77.92670	0.7
79.05485	1.8
85.02908	4.4
91.05463	1.2
93.07043	1.0
94.35894	0.7
94.66142	0.7
95.08614	1.1
97.02877	1.2
99.04443	1.3
105.06988	1.8
105.55495	0.8
107.04955	5.4
111.53743	0.8
117.07008	1.7
121.06507	2.1
123.04413	1.7
135.08035	5.6
137.05983	26.8
137.22868	0.8
138.06308	3.2
145.06488	0.8
149.09608	2.4
159.08047	0.8
161.05997	5.2
162.06627	1.9
163.07541	90.4
164.07899	4.0
165.05502	1.1
177.09106	20.2
178.09366	1.0
187.07513	1.6
205.08604	24.6
206.08929	1.7
223.09650	100.0
224.09982	5.4
241.04921	0.9
247.09706	1.6
289.10623	2.1
301.36292	0.8
311.97824	0.8
313.10574	1.2
397.56534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06420	0.2
54.47535	0.2
55.01860	0.4
57.03415	0.2
61.02944	0.2
61.69295	0.2
65.03946	0.3
66.91207	0.2
69.03436	1.3
69.43724	0.7
71.04967	0.2
73.02895	0.2
77.03916	0.2
79.05484	0.5
81.03411	0.8
81.07079	0.2
85.02903	3.5
87.00829	1.3
91.05478	8.1
92.05830	0.3
93.07029	0.6
95.04974	0.4
97.02892	2.1
97.06515	0.3
99.04449	0.4
103.05466	1.1
104.06225	1.0
105.01863	4.6
105.07054	0.2
107.08597	0.4
107.77370	0.2
108.04453	0.3
109.02901	0.9
115.05475	0.4
117.07024	6.5
118.07307	0.2
119.08576	100.0
120.08910	3.9
121.06448	0.2
127.03024	0.3
127.03912	3.6
133.10106	0.4
136.11243	0.6
145.04953	2.8
147.02870	0.2
157.10179	0.2
159.02940	0.4
161.09586	0.3
181.07686	0.2
189.03944	0.2
195.05556	0.9
196.68565	0.2
209.09673	0.3
213.06531	1.3
227.10678	0.4
229.05812	0.2
231.04980	1.7
249.06026	1.1
273.08694	0.4
301.07971	0.8
338.11365	0.2
344.15543	0.2
359.24460	0.2
384.11826	0.5
385.12576	0.2
402.13022	1.0
403.13077	0.2
421.62183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01859	1.3
57.03432	1.6
57.07068	0.9
61.02921	3.4
65.03944	2.0
67.05484	1.2
69.03423	7.8
69.07081	1.0
69.89024	1.0
69.89387	2.5
71.04978	1.1
73.02904	1.4
81.03412	3.1
81.07059	1.5
85.02903	35.2
85.06052	1.6
85.06544	24.1
85.07061	1.5
87.04439	0.9
91.03945	3.0
91.05480	1.0
93.07059	1.5
95.04914	0.8
95.08634	0.9
97.02897	8.2
97.06509	0.7
99.04452	2.1
105.07004	1.1
109.02892	2.3
109.06520	0.9
109.52427	0.8
111.04414	0.9
112.27238	0.7
115.03925	0.9
119.08557	1.1
121.02863	79.7
121.06493	1.2
122.03201	2.3
123.08076	1.2
127.03903	7.4
139.03897	100.0
140.04256	2.8
145.04955	17.7
147.08072	1.0
149.02351	9.5
151.07526	1.0
163.06039	3.7
164.10719	0.7
187.07584	0.8
205.08672	1.1
229.10707	1.6
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
50.67982	0.2
53.03945	0.4
56.03610	0.2
57.03413	0.3
61.02928	0.3
65.03926	0.3
69.03416	1.2
69.64949	0.8
77.03927	0.3
78.04693	0.2
79.05484	0.5
81.03394	0.6
85.02908	3.7
87.00822	2.1
91.05476	9.3
93.07017	1.1
97.02885	2.3
97.06503	0.2
99.04463	0.5
103.05461	1.1
104.06249	0.8
105.01171	0.3
105.01865	5.3
105.07036	0.2
108.04516	0.2
109.02856	0.9
115.05465	0.5
117.07021	7.1
118.07378	0.3
119.08575	100.0
120.08909	3.9
127.03924	3.3
131.08537	0.2
133.10138	0.4
136.11235	0.6
137.01678	0.2
139.03940	0.3
139.44759	0.2
140.58401	0.2
145.04956	2.9
157.10201	0.2
159.02901	0.5
161.09575	0.2
195.05502	0.4
198.34955	0.2
213.06598	0.7
227.10625	0.6
231.04968	1.7
249.06018	1.5
276.66595	0.3
301.08185	0.5
384.11786	0.5
402.13077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
60.27518	0.1
65.03933	0.2
67.49255	0.1
69.03419	0.5
69.38116	0.6
75.36545	0.2
76.20720	0.2
77.60805	0.1
79.05486	0.5
81.03402	0.4
85.02907	1.3
87.00826	0.4
89.79788	0.2
91.04942	0.3
91.05481	4.6
93.07056	0.4
94.83698	0.1
95.04967	0.3
97.02877	0.6
97.06527	0.2
98.22684	0.4
98.68188	0.2
103.05425	0.4
104.06243	0.4
105.01881	0.4
105.04534	0.2
108.04485	0.4
109.02880	0.5
115.05443	0.1
117.07016	1.3
119.08578	100.0
120.08908	3.8
127.03912	0.6
132.01920	0.1
133.10130	0.7
136.11212	0.5
143.03392	0.3
145.04941	0.4
157.10106	0.2
159.02922	0.3
161.09619	0.5
189.03926	0.2
209.09607	0.3
227.10660	0.3
229.03535	0.2
229.37877	0.2
245.11893	0.2
309.20175	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	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
60.27518	0.1
65.03933	0.2
67.49255	0.1
69.03419	0.5
69.38116	0.6
75.36545	0.2
76.20720	0.2
77.60805	0.1
79.05486	0.5
81.03402	0.4
85.02907	1.3
87.00826	0.4
89.79788	0.2
91.04942	0.3
91.05481	4.6
93.07056	0.4
94.83698	0.1
95.04967	0.3
97.02877	0.6
97.06527	0.2
98.22684	0.4
98.68188	0.2
103.05425	0.4
104.06243	0.4
105.01881	0.4
105.04534	0.2
108.04485	0.4
109.02880	0.5
115.05443	0.1
117.07016	1.3
119.08578	100.0
120.08908	3.8
127.03912	0.6
132.01920	0.1
133.10130	0.7
136.11212	0.5
143.03392	0.3
145.04941	0.4
157.10106	0.2
159.02922	0.3
161.09619	0.5
189.03926	0.2
209.09607	0.3
227.10660	0.3
229.03535	0.2
229.37877	0.2
245.11893	0.2
309.20175	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	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
62.85611	0.7
69.03426	0.7
69.62436	3.2
82.55281	0.8
85.02892	2.5
99.04391	1.0
103.05467	1.1
107.04962	4.1
117.06969	1.1
121.06513	0.9
123.04450	1.0
125.05985	1.1
131.04929	0.9
135.04390	1.3
135.08031	3.4
137.05965	15.8
145.06477	0.9
149.02283	0.9
149.09633	1.5
153.01802	3.6
161.05972	2.8
163.07533	65.0
164.07874	2.6
177.05559	1.0
177.09096	15.9
178.05833	1.1
198.79463	0.7
205.08595	18.8
206.08907	0.9
223.09642	100.0
223.13260	4.7
224.09991	3.9
238.62308	0.8
258.24173	0.8
279.88666	0.8
305.06659	3.1
402.18387	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	402.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
59.04984	1.7
61.02914	1.4
61.53247	0.5
64.43481	0.5
67.05504	1.5
69.03425	1.2
69.07061	2.1
70.47315	1.2
71.04987	11.7
79.05492	4.3
81.03416	1.0
81.07056	39.9
82.07424	0.7
83.05018	0.7
85.02904	5.1
87.08103	3.8
89.06036	1.2
91.03135	0.7
93.07048	2.3
95.08549	1.3
97.02866	0.8
99.04456	8.8
99.08096	16.3
105.07013	1.8
107.04954	0.7
107.08581	4.8
109.06512	1.6
109.10170	4.1
115.03097	1.0
119.02611	10.5
121.06483	0.5
123.11709	5.7
127.03909	1.0
133.10146	3.4
137.05981	5.8
138.06291	0.8
145.04089	1.4
145.05106	0.8
145.06125	0.6
151.07516	0.6
151.11166	4.5
163.07587	2.7
165.05453	1.6
169.07803	5.0
177.09113	2.4
187.08839	8.4
190.06265	0.7
193.26320	0.6
205.09921	100.0
206.10258	5.5
223.09642	17.5
224.09790	0.8
309.28265	0.6
367.14508	0.6
402.18152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31992	0.6
53.03956	0.6
55.05505	1.9
59.04994	0.6
67.05521	1.4
69.03424	1.0
69.07059	1.1
69.61054	0.9
69.61452	1.3
71.04986	5.8
73.02901	0.7
79.05483	5.2
81.03422	0.8
81.07056	33.1
82.07386	1.2
85.02906	4.7
87.08104	4.4
91.05516	0.8
93.07044	2.0
95.08598	1.1
97.02860	1.5
99.04426	0.9
99.08093	15.7
105.07030	1.2
107.08584	4.8
109.06535	0.8
109.10155	3.8
119.02599	9.0
120.03053	0.5
123.11706	5.4
127.03938	0.9
133.10120	2.8
137.05960	4.1
145.04071	1.5
151.11172	6.7
155.07048	2.4
165.05424	1.2
167.55376	0.6
169.07753	5.3
177.09074	2.3
187.08855	7.1
205.09904	100.0
206.10229	3.8
223.09555	3.4
402.18335	0.7
403.19168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
69.07065	1.3
69.22498	5.7
71.04977	7.2
79.05492	4.2
81.07056	33.1
82.07389	1.9
85.02897	6.1
87.08109	2.8
93.07018	1.9
95.08629	1.9
97.02914	2.1
99.04459	5.3
99.08094	14.4
107.08591	3.8
109.10155	4.5
111.08108	1.2
119.02617	10.9
123.11695	5.2
133.10141	3.1
137.05986	1.1
145.04147	1.7
145.06444	1.0
151.11200	6.4
154.08626	1.5
163.07541	1.3
167.07010	2.3
169.07817	5.1
177.09140	1.3
187.08844	7.7
205.09904	100.0
206.10257	4.3
223.09430	7.3
244.92799	1.1
264.36511	1.0
384.15173	2.3
402.13547	1.4
402.18643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49775	1.8
56.49144	2.1
57.07069	5.5
60.71811	2.1
74.65588	1.9
78.68027	1.9
79.05492	2.5
81.07043	2.3
85.02905	5.0
85.06518	3.0
91.05458	4.6
93.07015	2.1
95.08630	2.0
97.02898	2.4
105.07001	2.4
118.98257	2.0
119.08603	2.3
120.05020	2.0
121.06461	4.6
124.63020	1.8
137.05908	3.7
139.03865	4.0
145.20007	2.2
149.02339	43.8
151.03947	2.4
151.07507	5.6
158.07239	2.2
159.08061	3.1
161.06020	3.0
163.07579	2.5
173.09657	2.4
174.10344	9.2
175.07529	5.6
176.08286	6.1
189.09267	2.6
190.09978	11.0
205.12239	75.7
206.12595	3.2
223.09642	7.3
223.13257	27.5
229.12155	3.5
402.27155	100.0
403.27432	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	402.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83796	0.5
67.05522	0.9
69.30944	1.7
69.31351	1.2
71.05008	1.3
75.21742	0.5
81.03452	0.7
85.02905	2.5
85.06540	21.3
91.05492	0.9
96.79435	0.4
98.40421	0.5
105.07033	2.3
117.07011	0.9
119.08542	0.6
121.02412	0.5
121.06505	1.1
129.78210	0.5
130.07803	0.7
133.06479	0.8
135.08046	2.0
137.05983	1.3
137.09583	0.5
139.07536	1.0
143.08594	0.8
145.10129	6.8
147.08029	0.8
149.06053	0.6
150.06776	0.6
151.07538	3.5
153.09027	0.5
158.07349	0.9
163.07559	1.5
165.09102	13.7
166.09477	1.1
172.08853	0.6
173.09602	7.9
174.10367	2.0
175.07529	1.8
176.08336	1.3
177.09167	1.6
177.12708	1.4
178.67896	0.5
187.11182	0.6
190.09840	3.6
205.12234	79.0
206.12607	3.8
209.11650	1.2
221.71912	0.5
223.13277	100.0
224.13618	3.6
247.13332	1.2
260.39966	0.5
271.13306	1.9
289.14349	1.0
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
51.83481	0.3
55.05497	0.7
57.03439	0.5
57.07069	0.3
61.02923	0.4
61.23609	0.3
67.05489	0.5
68.99780	0.5
69.03408	0.8
69.07066	0.7
69.13066	1.7
71.04978	0.3
71.08633	17.4
81.03414	0.4
81.07048	1.4
85.02906	3.2
88.45329	0.3
91.03955	0.3
93.07056	0.4
95.08601	2.3
97.02876	1.2
98.22745	0.5
99.08091	13.1
100.08432	0.3
107.05016	1.5
107.08576	0.4
109.02853	0.6
111.04451	1.5
121.06515	0.5
123.04429	8.0
125.05993	11.9
127.03902	0.5
135.04414	0.4
135.08009	0.4
137.06010	1.7
139.03899	1.3
145.04927	1.0
149.05981	13.2
151.07489	0.4
153.05453	2.5
163.07564	4.3
181.05058	0.3
193.12202	0.3
205.12202	3.5
223.13287	100.0
224.13596	4.0
247.13327	0.3
402.21939	2.9
402.30310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26738	0.4
57.07074	23.7
65.12305	0.4
69.03392	0.5
70.48422	0.6
79.05484	0.7
81.07068	2.8
84.36338	0.4
85.02896	2.2
85.06542	16.3
92.63329	0.4
96.53840	0.3
105.07016	0.7
107.04965	1.4
109.10212	0.6
119.08557	0.5
121.06503	1.1
125.05977	0.6
127.03902	0.8
135.08060	0.6
137.05975	2.4
137.09572	0.7
139.07536	14.0
140.07872	0.6
149.06013	0.7
151.03853	0.4
151.07492	0.5
153.05405	0.5
163.07553	3.5
167.07028	7.8
167.08316	0.3
176.08331	0.7
181.08626	2.3
190.10010	0.5
205.12227	7.3
223.13280	100.0
224.13605	5.0
402.26926	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	17.6
57.03440	20.5
57.07077	11.9
67.05505	78.0
69.07068	39.4
79.05502	59.4
81.07051	85.3
83.04978	11.8
91.05495	33.6
93.07024	75.0
94.69878	11.3
95.05019	11.6
95.08614	43.1
97.06531	20.2
98.22711	29.2
105.07037	34.2
107.08581	39.8
109.06512	11.8
117.07021	25.0
121.10126	14.7
125.09650	11.8
129.01851	11.8
129.02773	9.6
131.08586	21.5
133.10011	12.8
134.46823	9.9
135.11697	22.7
141.39587	9.7
145.10139	11.1
147.11658	13.4
149.13246	19.5
159.11676	30.1
162.32944	10.3
163.11119	10.3
255.15918	70.7
269.17487	100.0
272.27924	10.8
275.19952	23.2
349.23734	29.5
373.09232	39.7
382.08716	12.3
403.13892	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	14.5
55.05514	19.9
57.07071	6.9
57.83181	6.2
67.05509	48.9
69.07080	14.3
69.51877	27.4
79.05487	20.2
81.07065	50.3
83.04985	12.7
83.08624	10.5
85.06538	6.3
86.12593	5.8
91.05472	37.4
93.07040	25.3
95.04990	12.1
95.08615	23.8
97.06590	5.8
105.07024	32.8
107.08604	25.0
109.10177	41.4
119.08572	11.6
119.10905	5.9
121.10146	8.7
123.08096	7.7
123.11733	6.4
125.09623	5.8
131.08640	10.1
133.10130	46.6
135.11674	9.1
137.09601	9.6
151.11172	27.7
185.21909	5.7
220.68097	6.1
253.14325	17.7
261.22183	6.0
271.15656	8.4
275.20078	22.7
285.16998	8.0
293.21024	10.5
316.17929	6.1
349.23746	14.0
367.24817	100.0
373.09064	12.5
402.13757	20.7
403.13733	19.4
403.24438	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	14.5
55.05514	19.9
57.07071	6.9
57.83181	6.2
67.05509	48.9
69.07080	14.3
69.51877	27.4
79.05487	20.2
81.07065	50.3
83.04985	12.7
83.08624	10.5
85.06538	6.3
86.12593	5.8
91.05472	37.4
93.07040	25.3
95.04990	12.1
95.08615	23.8
97.06590	5.8
105.07024	32.8
107.08604	25.0
109.10177	41.4
119.08572	11.6
119.10905	5.9
121.10146	8.7
123.08096	7.7
123.11733	6.4
125.09623	5.8
131.08640	10.1
133.10130	46.6
135.11674	9.1
137.09601	9.6
151.11172	27.7
185.21909	5.7
220.68097	6.1
253.14325	17.7
261.22183	6.0
271.15656	8.4
275.20078	22.7
285.16998	8.0
293.21024	10.5
316.17929	6.1
349.23746	14.0
367.24817	100.0
373.09064	12.5
402.13757	20.7
403.13733	19.4
403.24438	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	402.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.07084	0.4
67.05495	0.2
68.05020	0.4
69.07068	0.5
69.26863	0.6
70.06587	100.0
71.06920	1.3
71.07259	0.2
71.82375	0.2
78.61282	0.2
80.94865	0.2
81.07044	0.3
88.07631	0.6
95.08627	0.2
98.22949	0.7
102.09206	0.2
109.10198	0.2
112.07596	44.1
113.07906	0.9
123.04465	0.2
131.44293	0.2
132.10152	0.2
137.05966	1.0
147.04399	0.2
147.07957	0.2
149.05962	0.4
151.07550	0.4
160.05095	0.2
162.47237	0.2
163.07513	0.6
175.07507	1.7
175.40376	0.2
177.09099	1.0
191.10635	0.3
261.18652	0.1
340.35599	0.7
343.26227	0.6
348.15454	0.2
360.28662	0.3
366.22656	0.2
373.09134	0.5
385.31119	0.2
402.23154	4.1
402.29807	3.9
402.39233	3.0
403.13644	0.6
403.23373	0.2
403.30145	0.2
406.81393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	0.7
55.05511	10.7
57.07069	2.1
67.05496	2.6
69.07067	10.9
69.38728	1.9
70.06591	33.2
71.08620	0.8
72.08147	0.8
74.23680	0.5
79.05504	1.0
81.07050	3.8
83.01329	4.5
83.08620	5.6
85.10175	0.5
89.20620	0.4
91.05463	1.8
93.07040	1.0
95.08611	2.6
97.10164	3.5
98.22660	1.0
105.07060	0.7
107.08571	1.4
109.06586	0.5
109.10159	1.3
111.11724	0.6
114.84076	0.5
117.07015	1.2
121.06522	4.9
121.10143	1.0
123.04431	1.3
123.08115	0.7
123.11756	0.4
127.40118	0.4
129.01831	0.5
129.07005	0.7
131.08554	2.9
135.08043	3.6
137.05977	7.6
138.06303	0.5
139.07518	0.4
143.08501	0.6
145.06471	1.2
145.10117	2.0
147.08029	1.3
149.05975	1.5
149.09610	6.0
151.07536	11.0
158.07259	0.9
159.08011	3.0
161.06006	2.4
161.09593	1.7
162.06778	2.6
163.07538	21.3
163.11154	2.3
164.07967	0.5
165.09111	3.7
171.08098	3.2
173.09581	5.8
175.07549	3.9
175.09872	1.4
175.11246	0.7
176.08321	3.0
177.09100	37.8
178.09412	1.5
179.10715	0.9
189.09102	9.2
191.10669	30.2
192.11031	1.1
198.48680	0.5
203.10675	1.3
205.12224	1.7
217.12180	1.6
225.55244	0.7
231.13777	0.8
255.94310	0.5
289.55563	0.5
343.26248	1.1
367.29974	1.1
373.08951	1.1
384.32584	4.0
385.26099	0.9
385.31012	18.9
386.31293	1.3
402.23270	13.5
402.33652	100.0
403.13828	1.1
403.23575	2.2
403.33914	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	403.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.2
64.83601	0.9
64.99720	0.8
68.62226	0.8
69.47417	1.9
69.47808	2.5
69.84317	0.8
72.84688	0.8
90.35952	0.8
98.97575	17.6
112.60616	0.8
116.98616	10.9
119.01927	2.7
134.99672	4.7
149.87985	0.9
169.65392	0.9
177.00938	7.6
178.00995	1.4
201.00981	1.6
216.99004	1.4
217.04129	1.6
218.98686	1.2
219.02002	9.6
220.02126	1.7
221.01701	1.1
234.99962	4.0
236.94073	2.8
238.95673	1.6
240.98811	6.2
242.98839	0.9
242.99677	1.0
243.02028	7.0
254.92831	1.1
254.95267	2.1
256.96609	4.2
258.99973	30.5
259.99939	3.7
260.99777	9.9
261.03061	48.3
262.03156	7.5
262.99707	1.1
263.02887	2.0
264.99060	2.6
274.97592	1.6
277.00989	26.2
278.01086	3.0
279.00674	8.4
282.99985	81.8
284.00089	4.1
284.99881	5.2
285.99915	1.4
286.99725	3.7
290.95389	0.9
298.97766	1.2
299.97977	1.0
301.01025	98.6
302.01154	3.2
303.00833	9.4
304.01062	1.5
305.00580	5.7
316.98813	1.1
318.98734	1.9
319.02136	3.4
324.02625	1.9
343.02322	1.5
344.94580	4.8
354.93817	1.1
356.96674	4.3
360.99609	1.7
361.03369	2.5
379.98468	1.1
380.96701	41.3
385.03741	9.6
386.03485	2.4
396.94559	1.4
397.94818	2.0
398.97815	100.0
399.97983	2.0
400.96381	1.1
401.01382	2.1
402.96576	2.2
403.00351	12.6
403.04916	4.6
404.00653	1.5
404.05313	1.3
415.95511	1.2
421.99393	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01865	0.3
57.03429	0.5
61.02928	0.2
69.03416	0.5
71.01353	0.2
71.42205	0.1
72.08157	0.4
73.02891	0.4
74.06087	0.2
77.03927	0.8
79.05492	1.6
81.03447	0.2
81.73965	0.2
85.02909	2.2
87.00854	0.2
91.05482	0.5
92.02626	0.9
95.01324	0.9
95.04966	2.7
97.02898	0.5
101.89822	0.2
103.03911	0.2
104.44166	0.2
105.01879	0.2
105.03391	0.2
105.04508	1.6
105.07034	0.3
107.04953	0.4
107.89781	0.2
109.02911	0.2
113.02364	0.7
119.04934	0.4
119.08572	0.2
121.06479	0.2
121.10113	0.2
123.04356	0.2
127.03886	0.5
131.03424	0.3
135.04416	100.0
136.04758	3.2
138.03087	0.2
138.09149	0.2
139.03862	0.2
141.01837	1.2
141.21085	0.2
145.05013	0.3
147.04442	0.3
149.09689	0.2
151.07567	0.2
153.05470	1.9
156.10194	0.6
159.02913	0.5
161.06056	0.2
163.03944	0.2
163.07529	0.2
175.03902	1.2
192.04152	0.2
205.08453	0.2
207.06519	3.0
209.08101	0.2
225.07527	1.2
227.09126	2.1
229.08549	0.1
231.06476	0.2
233.15082	0.3
241.14320	0.2
262.10709	0.2
279.74384	0.2
298.96634	0.2
311.07614	1.0
343.13681	0.6
351.82266	0.2
359.16736	0.6
385.11435	0.5
403.15720	3.3
403.20145	0.2
404.16180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94299	2.0
69.07064	1.4
70.06580	2.1
70.95874	1.1
72.93797	6.0
73.41157	1.1
74.11739	1.1
79.05516	1.6
88.07591	1.2
90.94844	5.9
91.05488	1.5
95.08637	1.1
95.45242	1.1
113.84577	1.0
124.96868	4.6
129.01851	2.5
137.05948	2.9
142.97935	5.2
151.07536	1.5
152.96306	8.4
157.64803	1.1
162.96913	1.9
163.07526	1.8
168.95871	2.9
170.97424	4.8
177.09137	1.6
180.95842	2.6
182.97462	1.3
184.95328	1.9
191.10660	2.7
194.97397	1.2
196.95319	22.7
197.24094	1.1
198.96875	6.3
206.97462	1.4
208.95314	26.6
209.95850	1.1
210.96910	3.2
212.94815	2.6
214.96365	14.4
216.97946	7.0
222.93333	1.4
222.96843	7.9
224.94777	9.3
224.98340	1.7
226.96349	25.5
227.93454	1.3
228.97926	1.6
236.98399	2.4
238.96391	1.4
239.93625	1.8
240.94370	8.6
240.97964	1.8
242.95918	1.5
244.97423	17.3
249.97942	6.7
251.00137	2.3
252.98000	2.3
254.99408	2.4
256.97488	3.4
265.01651	1.7
266.99405	2.8
267.99091	1.7
269.01108	1.4
270.99246	1.6
277.01245	1.5
281.01096	2.0
282.98892	1.2
283.02692	1.6
295.02747	2.0
299.02151	1.7
301.03687	3.4
309.04156	2.1
315.05435	5.8
317.04755	3.0
319.06323	4.7
321.04608	1.5
321.07663	6.0
329.06894	5.5
335.05704	8.2
337.07242	15.4
338.07846	1.3
339.08887	52.2
340.09341	3.0
355.08322	1.2
357.09946	100.0
358.10425	7.3
360.08893	3.1
362.10477	41.7
363.10779	3.3
373.09277	6.7
375.11133	1.8
380.11548	41.0
381.11816	2.4
402.33597	5.0
402.38446	2.0
403.13458	19.4
403.24606	3.0
403.29086	1.6
403.33456	2.1
404.13464	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	403.1369
Annotation	Nobiletin
Peak:m/z	Relative Intensity
61.77588	0.9
68.68802	1.0
69.03404	1.2
70.06593	1.5
71.31398	1.1
72.08133	2.7
85.02877	2.8
86.09672	3.2
95.96287	1.2
97.02846	1.2
98.97594	5.9
115.57079	1.2
116.98626	1.3
123.04409	1.2
127.03890	1.8
163.03883	10.2
165.05238	1.3
167.05736	1.3
167.07042	12.5
177.45827	1.1
205.12050	1.3
207.06532	6.4
225.07422	4.8
241.10518	2.4
274.81387	1.2
300.29291	1.1
359.16641	1.7
363.09631	1.3
381.10483	2.5
403.13638	100.0
404.13913	8.5
420.59644	1.2
423.32370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45052	2.2
71.75919	0.4
85.02895	0.5
89.79531	0.4
110.27571	0.4
129.34930	0.4
159.70206	0.5
185.04237	0.6
203.05257	1.1
207.06490	0.6
223.09451	1.5
241.10590	8.6
259.10202	1.1
357.70984	0.5
369.22116	0.5
403.15698	100.0
404.16022	6.1
421.98392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40031	2.4
54.72638	2.4
55.05513	2.5
57.03442	8.1
59.05003	4.3
61.02931	2.4
65.03926	2.5
67.05495	4.6
69.03427	6.9
71.05000	8.0
77.67490	2.2
79.05496	8.8
81.03415	28.6
81.07053	6.8
83.04959	4.4
83.79144	2.6
85.02892	20.1
91.05489	10.8
93.07052	5.1
95.04975	5.4
95.08630	4.3
96.94897	2.3
97.02896	10.4
97.06542	7.6
102.13994	2.2
105.07016	12.5
107.04955	3.0
107.08598	9.7
109.02885	8.3
109.06481	2.4
109.10130	2.7
111.04434	5.5
116.41788	2.3
119.08556	5.2
121.06496	9.6
121.10139	6.5
122.07301	4.1
123.08051	2.5
127.03894	17.7
129.01833	5.3
131.08598	2.6
133.10126	41.8
135.08026	16.8
137.06003	6.0
137.09624	25.5
139.03902	37.8
145.06454	2.8
145.10132	3.7
145.77119	2.3
147.08055	3.4
149.06017	3.1
149.09523	2.7
150.06786	5.3
151.07538	90.1
152.08072	3.9
153.09126	9.1
158.07320	5.5
161.05978	5.7
162.06786	3.2
163.07542	3.9
165.09109	55.6
173.09596	3.3
174.06801	4.6
174.10365	6.0
175.07611	7.5
176.08275	4.7
177.09167	21.1
181.08601	8.3
188.08344	7.7
189.09076	21.8
190.09892	8.4
191.07204	2.9
191.10564	4.4
191.14272	18.0
193.08617	3.9
201.09114	4.5
203.10710	4.8
205.08658	3.2
205.12238	100.0
206.12607	10.1
207.10191	3.0
207.13864	3.4
213.03917	3.5
215.06976	3.5
217.12163	18.4
219.13803	18.1
221.11786	6.5
223.13307	56.3
223.16853	4.1
224.13626	2.8
229.08560	2.7
229.12206	4.4
231.10179	5.0
233.11728	32.3
234.11931	3.1
235.13271	31.8
241.14348	21.4
247.13295	9.0
251.12755	14.5
253.14352	3.3
265.14459	3.6
271.13229	3.7
285.14740	3.0
307.15250	3.5
331.15588	6.5
349.16547	4.3
403.13510	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	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14546	3.5
55.05518	4.5
56.22175	3.6
57.03425	5.4
63.17722	3.0
63.98341	3.4
67.05508	6.5
67.44157	3.2
69.03432	16.2
70.45642	6.2
71.04994	17.0
79.05499	4.6
81.03428	8.1
83.05008	15.0
85.02911	43.2
87.00845	7.9
87.04478	4.4
91.05480	27.3
93.07056	14.9
95.04943	5.4
95.08608	17.0
97.02913	9.4
97.06528	6.9
99.99350	3.5
105.01895	7.3
105.07032	22.5
107.08591	28.9
108.08064	4.2
109.02859	6.6
109.06519	8.0
109.10180	9.2
111.08107	10.1
117.07028	5.3
119.04961	12.6
119.08596	59.2
121.06546	7.2
121.10133	19.7
123.08082	12.6
123.11688	8.4
125.09641	8.2
127.03921	9.8
129.07013	7.1
130.07790	4.6
131.08598	14.0
132.05640	3.8
133.10161	13.7
135.04440	12.4
135.08064	28.5
135.11703	52.3
137.09612	18.8
143.08600	9.8
144.09328	6.8
145.05023	6.5
145.10133	12.1
147.04433	7.2
147.08061	29.4
147.11703	13.6
149.09676	16.5
149.13257	10.8
153.05493	6.3
153.09116	18.3
156.09323	11.4
156.10400	5.3
159.11708	36.8
161.09557	7.7
161.13237	7.7
162.10460	4.0
163.07584	6.1
163.11177	17.3
165.09111	9.9
171.11691	20.5
175.03957	19.9
177.12727	36.9
187.07597	5.3
187.11212	11.0
189.04021	3.8
189.12753	22.9
192.04170	6.3
195.13792	9.0
205.08562	5.6
205.12186	18.1
207.06526	61.1
207.13814	100.0
219.60788	3.7
222.73549	4.0
223.13303	83.0
225.07599	30.0
229.08577	4.7
239.84564	3.4
241.14365	51.3
247.09686	5.2
262.10730	4.0
286.46094	3.8
343.13666	6.8
403.15674	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	403.2092
Annotation	Met Pro Arg
Peak:m/z	Relative Intensity
56.06362	1.3
57.53266	1.1
60.30223	1.1
61.14638	1.5
63.62597	1.0
70.02406	2.1
70.02746	2.4
74.15489	1.4
83.11657	1.2
85.82696	1.2
91.84029	1.4
111.00784	1.3
129.01822	2.6
167.23695	1.2
176.14320	2.8
180.34404	1.2
250.07175	1.1
275.10464	1.2
299.23950	1.2
343.54324	1.3
355.13239	1.1
403.20889	100.0
404.21268	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	403.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35431	10.0
57.07076	8.9
67.05528	7.0
68.99816	9.9
70.71706	12.8
88.07581	8.3
98.77846	7.7
106.18779	8.0
123.04430	10.3
129.01851	100.0
137.05959	18.7
139.00255	17.4
157.01321	37.0
171.19241	7.3
185.08089	35.8
217.03476	10.1
222.76700	8.8
223.60872	7.9
352.41745	10.2
362.12918	11.7
373.09021	41.6
402.39490	29.0
403.13882	76.5
403.22424	48.9
403.27530	11.4
403.39706	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	403.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83982	0.6
66.18580	0.6
70.06573	1.4
71.24038	0.6
80.94904	0.9
84.08141	0.7
93.57116	0.6
95.17164	0.5
98.22824	1.0
112.07674	0.7
129.01868	1.2
141.23459	0.7
151.07579	1.0
168.72029	0.7
178.70563	0.6
209.45108	0.6
251.91763	0.6
343.22623	2.4
373.09241	3.0
403.14105	3.8
403.24600	100.0
404.14282	1.1
404.20404	0.6
404.25070	8.4
404.31070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11746	0.5
67.05483	0.6
69.07072	0.7
69.69772	2.1
70.06587	1.1
88.07594	0.6
89.68493	0.5
93.07043	0.9
93.50325	0.6
98.91468	0.5
102.58057	0.6
109.10121	0.7
121.10137	0.6
129.01830	1.6
135.11734	0.9
145.02632	2.6
147.39217	0.6
151.07594	0.8
160.43977	0.5
163.07610	0.7
171.93645	0.6
177.09082	0.9
181.10254	0.7
191.10626	0.7
265.19473	1.5
283.20477	1.3
328.20105	2.6
329.20825	0.8
342.21576	0.9
343.22433	100.0
344.22833	8.0
357.20404	8.6
358.20737	0.7
366.99933	0.6
372.22595	2.2
373.08896	2.9
373.23483	13.4
402.38275	0.8
403.13705	3.0
403.20651	19.1
403.24603	44.5
403.33588	2.4
404.20514	1.3
404.25476	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2843
Annotation	Ardisiphenol C
Peak:m/z	Relative Intensity
53.03934	0.2
55.01870	0.6
55.05510	4.8
57.07071	3.0
65.03928	0.3
67.05503	3.5
68.99776	1.0
69.07064	6.6
70.07369	0.2
70.71276	0.3
71.08632	1.7
79.05484	1.5
81.07053	5.0
83.08620	4.4
83.72610	0.2
85.10169	1.0
91.05478	0.8
93.07034	1.6
95.04973	1.2
95.08596	3.4
97.10169	3.9
105.04513	0.3
105.07000	0.6
107.04932	1.0
107.08607	1.0
109.10155	1.6
111.04444	0.6
111.11703	1.4
115.05470	0.7
115.46611	0.2
119.04961	0.2
119.08435	0.2
121.06509	0.5
121.10105	0.7
123.04424	100.0
123.11736	0.5
124.04755	2.3
125.05992	1.7
125.13267	0.5
129.01863	0.6
132.14000	0.2
133.06494	0.5
135.04391	0.2
135.11688	0.8
137.02362	0.7
137.05962	2.5
139.00249	0.2
139.03868	0.3
143.05016	0.2
147.04404	1.3
148.05180	0.7
149.05968	9.3
149.13234	0.2
150.06346	0.4
151.07552	0.9
153.05452	0.8
160.05234	0.5
161.05978	14.2
162.06445	0.5
162.59671	0.2
163.07513	3.1
163.14809	0.3
164.07050	0.7
165.05476	12.0
166.05771	0.4
167.07001	0.4
171.17464	0.3
174.06833	0.3
175.07536	6.1
176.07849	0.3
177.09117	1.4
179.07033	3.6
179.10666	0.2
189.09097	14.0
190.09462	0.5
191.10672	6.2
193.08543	0.3
197.21483	0.2
203.10649	9.6
204.11075	0.3
205.12219	1.6
206.08167	0.6
207.10184	0.4
217.12222	4.1
219.13809	0.7
219.21083	1.4
231.10214	1.3
231.13734	1.5
233.11659	0.3
233.15390	0.3
245.11757	0.7
245.15411	0.8
247.17053	0.3
248.30139	0.2
259.13223	0.5
259.16864	1.0
261.18350	0.5
273.18457	0.9
275.19910	0.3
287.20093	0.7
301.17941	0.2
301.21609	0.3
330.07281	0.3
343.26294	25.2
344.26556	2.0
361.27353	7.7
362.27612	0.6
373.09064	1.2
385.27194	1.1
403.13916	1.3
403.28333	1.3
404.13815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75422	0.5
51.51390	0.5
51.72772	0.4
56.96555	2.0
69.19298	0.5
69.90450	0.8
82.02964	0.6
83.01362	0.5
89.03912	1.3
98.97582	17.6
107.04932	0.7
116.98611	7.3
120.04472	1.3
122.03609	0.7
129.04488	2.5
130.03984	1.5
133.05235	2.0
134.06020	5.4
134.99649	2.5
137.05974	6.4
140.00206	0.8
141.04463	1.2
143.03645	0.6
143.06021	2.6
145.02844	2.3
145.05235	1.5
146.02370	0.8
155.06021	1.0
156.04446	7.5
169.03949	1.8
170.04715	0.5
171.05504	2.5
172.03943	9.4
173.04428	0.6
177.05363	1.2
179.41672	0.5
182.04779	0.7
182.07237	0.9
183.05544	9.7
184.03914	0.6
199.05037	3.6
200.03407	3.4
201.04262	3.4
201.06540	2.1
210.04253	3.1
210.06599	1.6
211.05132	0.9
216.06496	4.1
220.00471	0.6
220.77948	0.5
222.23929	0.5
226.11159	3.1
234.08685	0.6
235.02744	10.8
242.03273	1.2
244.12209	1.3
245.07104	0.7
253.03847	13.0
268.12344	0.7
272.08243	3.3
273.06583	1.6
273.08963	2.2
276.05545	1.1
287.08121	1.6
288.06470	0.8
300.07602	3.6
301.08386	6.2
303.07458	1.0
312.07693	0.8
315.10242	0.7
316.10730	3.5
317.09140	1.2
328.07184	8.2
329.07932	35.6
330.08408	2.5
344.10309	28.7
344.14688	1.1
345.10629	1.5
372.09781	100.0
373.10098	7.9
404.17459	14.5
405.17627	1.3
406.32935	0.5
427.62006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55578	0.3
55.01879	0.4
58.11032	0.3
68.99791	0.6
69.03413	0.6
69.69978	0.7
69.70345	0.5
85.02895	1.1
97.02885	0.6
99.04456	0.5
111.04427	0.5
115.05456	0.9
119.04945	1.6
133.06471	2.1
137.05905	0.4
139.03897	1.4
143.04951	0.4
146.56223	0.3
147.04410	7.3
161.05946	1.6
163.03896	100.0
164.04230	4.2
165.05472	6.3
166.05748	0.4
179.07019	1.4
180.68607	0.3
189.05537	0.6
207.06520	44.1
208.06828	1.9
225.07570	23.1
226.07921	1.0
233.54572	0.3
249.39977	0.3
251.94226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45593	1.4
53.03938	5.1
53.84270	1.6
55.01882	8.9
55.05502	1.5
57.03441	6.4
61.02915	6.9
67.05513	3.3
68.99783	2.9
69.03432	34.4
69.07044	1.5
69.31960	7.0
71.04999	6.2
73.02915	7.6
75.58797	1.2
79.05481	2.0
81.03419	24.5
81.07024	1.9
83.04983	2.2
85.02908	100.0
86.03223	1.7
86.09727	1.8
87.00833	46.5
91.03939	2.1
91.05482	4.6
93.07039	4.8
94.02966	1.5
95.04961	1.7
95.08597	6.8
97.02895	36.3
97.06492	1.9
99.04454	15.5
103.03937	2.5
105.01871	62.2
105.03371	4.4
105.07037	4.8
106.02161	1.6
107.08578	2.6
108.04497	1.6
108.08143	1.4
109.02881	30.2
109.06502	1.8
115.03884	1.8
115.05402	1.7
116.60545	1.2
117.01858	3.4
117.07002	4.3
119.08540	6.8
121.06512	33.6
121.10138	4.5
123.08057	2.1
127.03916	57.8
127.07539	2.5
128.04301	1.7
129.01817	4.7
133.06480	4.8
133.10146	3.1
136.07605	2.1
137.05981	1.7
137.09596	3.2
139.07555	3.0
141.26892	1.3
145.04977	22.5
145.06416	9.6
145.10156	2.6
147.02849	2.9
147.04466	1.5
147.11790	2.5
149.09628	2.7
151.07544	2.0
152.07062	3.5
159.02908	10.7
159.08015	3.7
161.13251	5.3
163.07556	17.4
163.11183	3.7
167.07013	4.0
171.11739	1.6
182.08112	6.4
183.08116	2.9
183.76237	1.5
187.07535	17.5
189.03969	8.1
189.12822	6.7
201.09015	3.0
205.08640	9.9
207.09839	2.3
207.13748	7.5
211.07620	3.6
213.03966	2.4
229.08595	22.0
231.04962	13.8
247.09645	5.9
248.09268	5.6
249.06024	5.4
272.14871	2.3
315.08658	3.0
333.09595	6.0
351.10568	2.8
369.19473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.2
67.05502	0.4
69.03426	4.7
69.43024	1.1
75.39639	0.2
77.03902	0.4
81.03417	0.7
85.02913	1.8
87.00834	0.5
91.05476	30.3
92.05801	0.7
93.07043	8.1
94.07352	0.3
95.04952	0.6
95.08623	0.4
97.02887	0.6
99.04462	0.3
105.01810	0.3
105.04510	0.3
105.07027	0.8
106.02938	0.5
106.04157	1.0
107.04965	1.3
108.04472	0.4
109.02892	0.4
109.05764	0.5
109.06516	9.1
119.06067	5.7
119.08560	0.6
121.06500	100.0
121.10106	3.6
122.06821	2.8
123.08041	1.0
124.03946	0.6
127.03905	0.3
131.08553	0.5
133.10109	0.3
135.08031	0.8
135.11723	0.4
138.09120	0.5
145.04959	0.5
147.08038	0.3
147.11676	0.3
149.09578	0.3
151.07529	2.0
151.11099	0.4
159.02769	0.2
161.13295	0.6
163.07520	0.8
163.11166	3.5
165.12775	0.7
171.11690	0.4
175.07573	0.3
189.12714	1.4
201.08969	0.2
205.08640	0.3
207.13805	4.4
211.07532	0.4
225.14780	1.6
225.20717	0.3
229.08603	0.3
369.19046	0.5
404.20200	0.3
405.47525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	15.9
57.03425	0.9
67.05493	1.2
69.07068	0.7
69.16523	0.7
69.80484	1.5
69.80849	1.2
71.95250	1.4
79.05481	1.5
79.08646	0.7
81.07080	1.4
86.62736	0.6
91.05487	0.9
93.07051	1.0
94.04192	1.4
96.98401	1.3
98.97581	99.4
99.97993	0.7
116.77160	0.6
116.98623	62.7
122.03652	5.9
124.33664	0.7
134.06039	0.6
134.99657	21.3
137.05975	50.9
138.06297	1.0
140.00189	5.5
141.56580	0.7
153.00679	2.3
158.01257	3.4
160.99086	1.1
179.00169	1.5
193.01772	1.4
197.01253	2.7
198.01962	0.9
208.10071	1.2
209.04924	0.7
210.08096	0.9
211.02800	1.4
220.00449	1.9
224.09554	1.3
226.11127	19.2
227.09526	1.1
235.02763	72.9
236.03073	3.7
238.01555	2.1
244.12163	7.6
249.12621	1.2
253.03841	91.5
254.04283	4.9
268.12234	4.6
269.17419	1.9
271.04980	3.2
276.05453	13.9
280.12167	2.2
293.07025	1.2
293.80347	0.6
339.70569	0.7
344.10992	1.3
344.15381	6.4
362.16589	1.6
372.09854	1.6
374.09717	0.8
404.17447	100.0
405.17883	7.4
405.22546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.66946	0.5
57.03437	3.3
59.05009	0.5
67.05495	0.5
68.99818	0.4
69.03426	1.3
70.57034	0.6
70.99965	0.4
71.56009	0.4
79.05476	0.8
80.52493	0.4
81.07034	0.7
85.02913	3.7
91.05475	1.5
93.07012	0.9
95.08600	0.6
97.02895	1.5
99.04459	0.5
103.05421	0.4
105.07032	1.0
107.04954	1.7
107.08569	0.5
109.06513	0.9
109.10191	0.8
115.05457	0.4
119.08606	2.9
121.06504	1.5
121.10175	1.1
123.04416	0.7
123.08086	1.0
126.35118	0.4
127.03866	0.7
129.06952	2.8
131.08568	1.6
133.06522	0.9
133.10123	1.3
135.08003	0.8
137.05975	28.7
137.09584	2.8
138.06392	1.2
139.07549	0.9
145.04974	0.9
145.06447	0.4
146.07170	0.6
147.08051	1.2
147.11739	0.6
148.05215	1.1
149.06044	0.5
151.03911	5.1
151.07539	18.1
152.07997	0.6
157.06541	0.5
158.07263	1.0
161.05949	0.6
161.09651	3.1
161.13280	2.5
162.06772	0.5
163.07565	4.9
163.56293	0.4
164.08076	0.8
165.05479	3.4
165.09128	8.5
167.07050	6.3
174.06761	7.8
175.07527	2.0
177.09093	2.2
178.06282	3.6
179.07053	0.6
179.10683	7.6
189.09094	19.3
189.12758	1.4
190.09462	0.8
191.06822	0.4
207.10164	100.0
207.13745	3.0
208.10518	4.7
224.09914	0.6
225.11218	45.9
226.11516	2.3
351.18646	0.4
391.11285	0.5
405.17538	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	404.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
55.26613	0.6
59.05007	0.9
61.02917	0.8
69.03417	1.3
69.75298	1.4
69.75681	1.5
83.01315	1.4
83.04958	1.2
85.02912	5.0
94.65160	0.6
97.02941	1.4
117.07038	0.8
121.86088	0.7
125.05969	0.8
129.07008	1.2
135.08040	2.7
137.05981	26.8
138.06300	0.8
145.06506	1.8
147.08078	1.7
151.07564	2.0
152.05687	1.3
161.06006	1.4
161.09628	2.5
163.07547	64.9
164.07948	2.6
165.09064	1.9
174.06808	1.1
179.10680	14.6
187.07588	1.0
189.09134	8.1
207.10167	100.0
208.10446	4.3
225.11208	82.7
226.11584	4.1
231.10179	1.1
249.11224	1.7
273.11270	0.6
291.12164	2.2
313.33014	0.7
315.12280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90409	0.8
55.05504	4.4
57.03424	0.8
59.05002	1.1
61.02908	1.0
67.05508	1.8
69.03423	2.6
70.51572	1.0
73.02954	0.8
79.05492	1.2
81.03417	1.2
81.07063	7.8
83.01339	2.7
83.04974	2.0
85.02908	43.4
91.05494	4.0
93.07052	1.6
95.08602	3.8
97.02877	1.7
100.64027	0.7
103.05450	0.9
105.07031	3.5
106.99841	0.7
107.08598	2.4
107.40124	0.7
109.06499	2.4
109.10134	6.1
117.07040	1.5
119.04935	2.1
119.08577	5.3
121.06468	0.8
121.10133	4.3
123.11707	45.2
124.12058	1.4
125.06010	3.8
127.03915	1.0
133.06502	1.3
133.10065	0.9
135.08043	3.3
137.05977	29.5
143.08487	0.8
145.04977	1.1
145.06491	2.5
145.10120	1.9
147.04404	2.5
147.08023	2.2
147.11702	6.1
149.09618	3.3
151.07529	3.1
161.06007	1.0
161.09619	3.8
163.07544	72.5
164.07915	3.0
165.12688	0.8
174.06778	1.3
175.03940	3.4
179.10661	17.1
189.09100	7.2
189.12737	10.6
190.13048	0.9
192.04289	1.3
207.06538	8.7
207.10167	100.0
207.13737	30.7
208.06645	0.8
208.10521	4.4
208.14127	1.5
224.03833	1.0
225.07561	3.4
225.11217	85.5
225.14502	8.6
226.11546	3.3
231.10028	1.2
249.11215	1.7
291.12344	1.7
299.06308	0.7
404.16589	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05500	1.4
58.45704	0.5
69.03416	1.4
69.14197	3.1
79.05511	0.6
81.03385	0.6
83.04982	1.4
85.02920	2.9
87.61384	0.5
91.05494	1.1
93.06998	0.6
95.04960	0.7
95.08583	1.1
97.02896	0.8
105.07019	0.7
107.04958	1.8
109.06524	0.7
119.08604	1.9
121.06508	1.2
121.10104	0.4
123.08070	24.6
124.08411	0.8
125.05982	0.8
127.03909	0.6
129.07010	3.7
131.08533	0.6
133.06477	0.7
135.08038	1.2
137.05984	14.3
137.09596	0.5
145.04993	0.6
147.08038	4.9
151.07549	14.1
151.11171	1.4
157.06473	0.7
161.09624	2.2
163.07545	20.7
163.11234	0.6
165.09125	3.9
167.07089	4.0
174.06781	3.5
175.07568	2.8
175.11157	0.5
179.10683	15.6
180.10979	0.7
181.12280	2.3
189.09108	8.9
207.10167	100.0
208.10550	4.6
225.11218	74.6
225.14841	4.9
226.11540	4.2
249.11256	0.7
273.11258	0.6
291.12228	1.1
327.60071	0.5
328.92041	0.5
382.13843	0.5
414.45120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.8
56.05030	4.6
57.03426	1.5
58.49660	1.3
65.68047	1.6
67.05496	4.4
69.03436	2.0
69.07077	2.6
70.06599	1.8
71.04991	2.5
74.06080	2.4
74.23374	1.5
76.55244	1.5
79.05485	3.6
81.07058	6.1
83.05010	1.3
83.08626	2.0
85.02898	3.6
85.06549	1.7
86.09738	2.2
87.58505	1.3
88.07636	5.0
91.05479	3.9
93.07062	4.0
95.08598	2.8
97.06561	1.5
98.09686	6.9
105.07037	3.3
107.08564	2.0
109.06599	2.1
109.10187	2.5
109.42094	1.7
116.10732	100.0
117.07005	1.3
119.08572	3.9
120.15417	1.2
121.10089	1.9
129.06996	2.1
131.08537	1.5
133.10147	3.6
135.04424	2.1
135.11687	1.8
145.10139	2.2
147.04425	2.0
151.03893	1.8
160.12117	1.6
160.13310	6.8
165.06932	1.7
167.06848	1.5
167.08522	1.9
170.19662	1.4
175.03966	1.8
179.03430	1.5
189.05508	2.5
197.09766	1.7
201.53648	1.3
202.15886	2.2
207.13803	1.9
221.04526	3.6
225.14868	2.1
227.10860	1.5
230.17546	4.3
233.11768	2.7
242.22110	1.7
269.11823	3.7
283.15778	1.6
287.12793	4.9
303.12262	2.1
305.13998	2.2
315.12204	8.9
321.10095	1.7
321.56342	1.7
333.13321	77.2
334.13724	5.0
351.14417	17.5
404.26456	23.8
405.26770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46120	1.7
55.05515	7.0
61.02915	2.4
67.05498	4.6
69.07065	6.5
69.31596	9.0
69.32016	3.8
71.05013	4.0
79.05482	4.7
79.25394	1.9
81.07055	22.8
83.04972	2.2
83.08624	2.4
84.47716	1.9
85.02905	8.6
85.06540	2.1
91.05507	6.5
92.70874	2.2
93.07036	14.9
95.08601	26.9
97.02857	2.0
97.06554	2.3
97.10182	2.7
99.25981	1.9
100.11254	7.7
101.02383	5.9
105.07024	24.1
107.08588	12.7
109.02839	2.5
109.10175	3.5
109.67529	2.2
114.09163	4.6
119.08581	29.2
119.66350	1.9
121.10157	7.1
123.11701	41.8
131.08527	3.3
133.10112	12.0
135.08145	2.2
135.11670	21.8
137.05945	2.9
143.07063	5.1
143.08589	3.7
145.10144	8.0
147.11682	71.6
149.09552	2.8
149.13264	5.5
151.07565	6.4
159.11664	10.2
161.13286	10.3
165.12750	14.5
171.11754	4.6
177.12747	14.6
182.15332	3.6
189.12727	16.2
195.13803	100.0
196.14157	5.4
207.13794	71.0
210.14900	4.8
219.10185	4.1
225.14867	35.3
247.16949	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	1.5
69.03420	2.3
69.07056	1.7
69.84364	2.6
81.03407	1.2
85.02915	7.8
91.05476	2.0
95.08578	1.1
97.00089	0.8
97.02892	2.1
113.09631	0.9
121.06506	1.8
123.04414	0.8
123.08061	1.8
127.03924	1.0
136.05240	1.1
151.07538	100.0
152.07881	4.2
175.07527	3.2
189.09071	1.3
207.13802	55.3
208.14105	3.4
217.08603	2.0
224.16412	2.6
225.14859	12.7
226.15166	1.0
231.13806	2.4
249.14865	1.6
273.14810	2.5
279.71066	0.9
291.16086	0.9
301.14395	2.1
333.16797	2.1
404.23041	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80930	0.2
55.01870	0.4
61.02922	0.4
65.89506	0.2
69.03427	0.6
69.07059	1.8
69.42659	0.2
69.42980	0.8
71.04983	0.3
79.05484	0.4
81.07040	0.3
85.02897	2.6
91.05464	1.1
93.07080	0.4
95.04965	0.3
95.08622	0.3
97.02882	0.8
99.04411	0.2
105.06972	0.2
107.04989	0.2
108.05751	0.5
109.02872	0.2
109.06527	0.2
113.09654	0.3
119.04882	0.2
119.08549	0.2
121.06478	1.1
123.08059	0.7
127.03884	0.4
136.05188	1.0
137.06026	0.2
139.07553	1.2
145.04950	0.6
147.11600	0.2
149.07175	0.3
151.07530	100.0
152.03256	0.2
152.06645	0.4
152.07851	3.6
155.92046	0.2
158.75754	0.2
161.05917	0.2
165.09142	0.5
175.07553	1.7
175.11168	0.5
177.09012	0.2
189.09117	0.3
190.98428	0.2
199.74747	0.2
201.09050	0.2
207.13789	42.0
208.14116	2.5
215.10760	0.3
217.08534	0.6
225.14838	16.6
226.15146	0.9
229.12239	0.4
231.13803	1.4
243.13890	0.3
249.14903	0.7
255.13808	0.4
273.14749	1.0
277.10657	0.7
277.13776	0.3
283.13232	0.3
301.14249	0.6
315.15839	0.3
333.16925	1.2
388.17349	0.2
405.19949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51944	1.2
55.05508	1.5
67.05511	2.0
69.03428	5.7
69.24879	8.0
69.95201	1.6
71.04990	5.6
79.05481	5.5
81.07063	19.5
82.07424	1.7
82.59327	1.4
83.58748	1.2
85.02916	7.4
87.04490	1.7
87.08102	1.8
91.05485	5.3
91.18666	1.8
93.07047	3.6
95.04974	2.1
95.08611	2.7
97.02883	1.5
99.08090	10.7
103.05515	1.6
103.99948	1.4
105.07015	9.4
107.04950	2.9
107.08609	5.6
109.02836	1.3
109.06527	2.9
109.10172	2.4
117.07037	3.2
119.08582	13.2
121.02317	5.7
121.06517	2.9
121.10140	1.3
123.04420	2.3
123.11693	5.9
131.04950	2.0
131.08571	2.5
133.06516	8.5
133.10118	4.9
137.06027	2.0
140.39282	1.6
143.08598	1.8
145.06488	2.2
145.10120	16.3
147.08078	3.2
147.11687	18.3
148.71924	1.4
151.07547	3.3
151.11156	3.4
156.09328	4.9
161.06053	1.8
161.13235	1.6
163.07541	4.3
163.11230	1.9
167.07030	25.0
171.07498	2.1
171.11650	3.8
174.10379	1.7
189.08705	4.0
189.12746	100.0
190.13055	5.1
193.08624	5.9
205.10065	2.2
206.10397	1.5
207.09612	61.3
207.13754	15.9
208.09981	2.5
208.14331	1.5
225.10820	1.7
231.92560	1.6
276.35571	1.6
303.58478	1.5
356.04797	1.5
402.31400	1.6
403.19290	1.4
404.16772	5.2
418.86102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.6
59.05012	2.2
67.05500	2.9
67.60036	1.5
69.03426	6.1
69.47693	3.0
69.48084	4.5
79.05498	3.1
81.03395	2.4
81.07054	17.0
83.01340	2.5
85.02906	92.7
91.05482	7.0
93.07046	3.3
95.04993	1.9
95.08620	6.1
97.02869	4.0
105.07024	9.5
107.08608	4.8
109.06493	4.2
109.10177	9.9
117.06976	1.8
119.04915	3.5
119.08560	11.5
121.10175	8.2
123.08128	1.7
123.11707	100.0
124.12041	6.0
125.06002	7.7
131.08542	2.0
133.06531	1.5
135.08035	3.5
137.05980	26.2
138.06186	1.6
145.04892	2.5
145.10150	4.6
145.79953	1.5
147.04478	1.8
147.08051	3.4
147.11688	13.8
149.09642	9.0
150.47829	1.5
151.07541	4.2
161.09669	3.2
163.07535	77.3
164.07918	5.1
165.12656	2.2
175.03984	4.6
179.10670	15.6
189.09116	7.8
189.12747	24.8
192.04169	2.2
207.06729	11.4
207.10172	96.2
207.13788	83.1
208.10461	5.5
208.14143	5.2
220.58414	1.6
223.15849	1.7
225.07588	5.8
225.11220	95.8
225.14684	23.0
226.11606	6.8
260.44800	1.5
273.29089	1.7
291.12381	2.5
340.94482	1.9
404.16278	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12330	1.3
57.51785	1.4
59.73794	1.3
67.05489	3.4
69.03420	2.5
70.43733	2.3
71.04978	1.3
79.05486	3.1
81.07062	14.1
85.02904	90.8
86.03236	2.1
87.04505	1.5
91.05484	5.5
92.61569	1.5
93.07006	1.7
95.08605	5.0
97.02888	2.3
105.07024	8.1
107.08583	3.1
109.06502	2.8
109.10162	10.1
119.04924	2.2
119.08573	10.0
121.10147	10.5
123.11705	100.0
124.12053	2.2
124.59695	1.3
125.05981	7.1
131.08560	2.6
135.04425	4.3
136.04716	2.2
145.05003	2.8
145.10135	5.8
147.04408	2.5
147.08020	3.6
147.11682	14.7
149.09602	6.2
151.07538	2.0
156.09328	2.3
165.12750	2.6
175.03949	6.9
179.14308	1.7
189.12750	21.2
207.06523	17.5
207.13809	64.5
208.06911	1.5
208.14117	4.3
225.07568	8.7
225.14821	22.4
256.92047	1.4
330.98709	1.6
388.00687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23786	0.8
55.05508	1.5
57.03447	0.8
61.02948	0.9
69.03434	5.0
69.07074	1.0
71.04986	1.5
77.73125	0.9
79.05491	1.3
81.03414	2.4
81.07056	3.2
83.04974	2.0
85.02905	14.0
87.00831	2.0
87.04471	0.9
91.05479	5.1
93.07038	2.5
95.04978	1.3
95.08606	2.3
97.02891	6.1
99.04459	2.2
105.01865	1.8
105.07025	7.2
107.08617	2.7
109.02893	1.4
109.06518	2.1
109.10151	1.6
117.07020	1.2
119.08580	8.9
121.06509	17.8
121.10161	1.9
122.06896	0.9
123.11731	4.4
125.05986	1.4
127.03899	7.6
131.08559	1.9
133.06496	6.4
133.10147	2.0
137.02373	1.1
139.03899	2.9
139.07550	2.0
143.08577	1.5
145.04970	5.0
145.10107	13.7
146.10788	1.1
147.04396	1.2
147.08018	2.0
147.11681	22.0
149.06047	0.8
149.09624	1.9
151.07541	0.9
156.09361	3.2
159.08038	1.9
160.05209	0.9
161.05995	1.6
161.09641	1.5
161.13304	1.7
163.03926	1.9
163.11224	1.9
165.05490	0.8
167.06972	1.2
167.26445	0.7
171.11702	4.2
174.10370	2.3
175.03831	0.8
189.12744	100.0
190.13011	5.7
191.14304	1.2
204.03004	0.9
207.06537	3.3
207.10143	4.3
207.13794	12.5
224.16518	2.0
225.11192	2.1
225.14900	1.5
231.04988	3.2
242.17523	3.3
249.06145	1.8
251.95331	0.8
272.14908	3.5
279.55478	0.8
287.05600	1.1
404.11911	1.8
404.20108	1.0
405.12128	1.5
405.17325	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
53.52144	0.5
55.01866	1.2
55.05502	1.1
57.03436	1.8
59.05003	0.9
61.02925	1.3
62.52610	0.5
65.03928	1.8
67.05499	2.3
67.51200	0.5
69.03429	7.8
69.07052	1.6
69.78679	1.9
71.04991	1.3
73.02892	1.2
78.03450	0.7
79.05492	2.2
81.03429	2.8
81.07053	2.7
83.04993	3.1
85.02908	13.5
86.03256	0.6
87.00829	2.3
87.04462	1.0
91.05484	16.7
93.06521	0.7
93.07053	6.5
95.04972	2.2
95.08604	4.6
97.02888	4.0
97.06508	1.5
99.04453	1.5
99.08074	0.8
105.01868	2.6
105.03426	0.8
105.07027	3.5
106.02916	2.0
107.04943	4.5
107.08591	3.2
109.02885	3.8
109.06513	6.4
109.10136	1.3
111.04369	0.8
111.08071	0.6
119.06084	3.0
119.08585	2.7
121.06508	58.8
121.10140	9.5
122.06823	1.7
123.08069	100.0
124.03954	3.8
124.08387	3.8
125.06002	1.3
127.03922	5.0
131.08554	1.1
133.06450	0.8
133.10153	1.9
135.08090	1.1
135.11691	2.0
137.05994	0.9
137.09589	2.0
139.03877	1.1
143.08565	0.7
145.04944	4.1
145.10132	2.0
147.08060	1.4
147.11642	3.0
149.09621	8.2
151.07541	4.0
151.11160	7.1
159.02905	1.2
161.06001	0.7
161.09637	0.9
161.13275	1.6
163.03912	0.8
163.07518	1.1
163.11179	7.1
165.09082	0.8
165.12744	1.3
167.10663	2.5
175.07492	0.7
177.12663	0.7
179.03394	1.1
181.12225	8.6
189.12694	4.8
205.08745	0.7
207.10234	0.9
207.13815	17.6
225.14841	28.9
226.06941	0.7
226.15207	1.5
229.08521	0.7
231.04912	1.0
249.06050	0.6
387.10342	0.7
388.12363	0.6
404.09772	0.9
404.14774	8.9
404.20001	1.4
405.15286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12883	0.7
54.12898	0.7
55.01880	0.6
55.05503	2.3
57.03430	3.3
60.12910	0.7
61.02916	1.4
67.05513	0.9
69.03419	2.3
69.07081	0.7
69.11105	5.1
81.03423	1.2
85.02908	8.4
90.23850	0.8
91.05481	3.9
93.07021	1.3
95.04988	1.7
95.08586	1.2
97.02895	2.4
105.07038	2.0
109.02898	1.2
119.04916	1.4
119.08598	1.0
121.10123	0.8
123.04429	100.0
124.04775	2.7
127.03918	1.3
133.06483	1.1
133.10135	0.8
135.08035	2.4
135.11760	0.7
137.05995	4.0
141.19424	0.7
142.19385	0.7
145.04948	2.1
147.04420	4.3
151.03961	1.0
151.07536	2.6
151.11189	0.8
152.36714	0.7
153.05505	1.1
161.06017	3.0
162.06346	0.7
163.07579	1.2
163.11156	1.4
165.05478	2.7
165.12790	1.2
167.07030	4.1
177.09120	0.8
179.10687	0.8
189.05470	2.3
189.09125	1.1
189.12791	1.3
193.08623	1.0
207.13800	71.8
208.14108	4.3
223.09688	1.0
224.10063	0.9
225.14922	4.3
231.13785	4.4
243.13867	1.0
249.07544	0.8
249.14877	3.4
273.14896	3.0
287.12875	1.4
313.14407	1.2
333.13269	1.8
333.16986	1.5
351.14194	0.9
404.16031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46120	1.7
55.05515	7.0
61.02915	2.4
67.05498	4.6
69.07065	6.5
69.31596	9.0
69.32016	3.8
71.05013	4.0
79.05482	4.7
79.25394	1.9
81.07055	22.8
83.04972	2.2
83.08624	2.4
84.47716	1.9
85.02905	8.6
85.06540	2.1
91.05507	6.5
92.70874	2.2
93.07036	14.9
95.08601	26.9
97.02857	2.0
97.06554	2.3
97.10182	2.7
99.25981	1.9
100.11254	7.7
101.02383	5.9
105.07024	24.1
107.08588	12.7
109.02839	2.5
109.10175	3.5
109.67529	2.2
114.09163	4.6
119.08581	29.2
119.66350	1.9
121.10157	7.1
123.11701	41.8
131.08527	3.3
133.10112	12.0
135.08145	2.2
135.11670	21.8
137.05945	2.9
143.07063	5.1
143.08589	3.7
145.10144	8.0
147.11682	71.6
149.09552	2.8
149.13264	5.5
151.07565	6.4
159.11664	10.2
161.13286	10.3
165.12750	14.5
171.11754	4.6
177.12747	14.6
182.15332	3.6
189.12727	16.2
195.13803	100.0
196.14157	5.4
207.13794	71.0
210.14900	4.8
219.10185	4.1
225.14867	35.3
247.16949	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17352	0.5
67.05506	2.2
68.99799	0.5
69.03426	1.9
69.07059	0.8
70.77998	1.0
71.04986	0.9
79.05482	2.1
81.03412	1.4
81.07053	1.5
83.04984	3.2
84.03806	0.5
85.02906	4.6
91.05476	1.4
93.07038	1.6
94.04254	0.5
95.04968	1.3
95.08585	3.3
96.05241	0.6
97.02881	0.9
97.06521	2.8
99.04455	0.6
103.05444	0.6
105.07023	2.6
107.04949	1.2
107.08607	2.8
109.02836	0.6
109.06526	2.1
111.08131	0.5
119.08576	2.2
121.06483	1.5
121.10140	6.0
123.08067	100.0
123.18665	0.5
124.08394	3.2
125.05991	2.8
127.03949	0.6
129.07033	0.5
131.04964	0.9
133.06503	0.6
133.10139	0.6
135.11726	1.4
137.05952	0.8
137.09587	1.2
141.07004	0.5
145.04956	0.9
145.06509	0.6
145.10155	1.4
147.08025	0.6
147.11693	1.6
149.09630	1.9
151.07533	2.9
151.11176	4.4
161.05969	0.7
161.13251	0.9
163.07597	2.5
163.11191	11.5
164.11539	0.6
167.07025	13.8
167.10677	3.6
171.11726	0.8
177.09079	0.6
181.08595	0.8
181.12230	11.1
189.12723	1.7
193.08627	2.8
207.10194	2.2
207.13802	5.4
211.90178	0.5
225.11601	2.8
225.14841	33.4
226.15170	2.2
239.08121	0.9
253.10004	0.6
258.17670	0.6
267.07693	0.6
299.10455	0.6
327.09784	1.0
329.11539	0.6
333.13199	0.8
345.10889	1.4
355.15094	0.8
373.10260	2.0
404.15692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02105	1.0
53.00003	0.9
55.01870	1.0
55.05499	1.9
57.03431	3.7
62.35722	0.9
67.05498	1.1
69.03413	1.4
69.07066	1.8
69.23225	2.3
69.23634	3.1
79.05493	1.3
85.02907	3.0
90.47301	1.1
93.07034	1.4
95.04979	1.1
95.08607	3.4
97.02892	1.2
97.06518	2.1
97.10162	6.2
98.23490	1.8
99.04455	1.3
105.07030	2.7
107.04967	1.2
107.08614	1.6
108.13570	0.9
109.10128	2.0
109.69073	0.9
116.10732	6.3
119.08557	2.5
121.10172	2.0
123.08068	100.0
124.08420	2.9
125.09617	5.2
137.06012	1.2
147.11623	1.4
149.09637	2.9
151.07552	5.3
151.11171	2.1
163.07503	1.3
165.12700	3.7
167.07005	1.7
179.07133	1.0
181.04913	1.3
189.12741	2.9
207.13795	67.5
208.14159	3.6
225.14845	7.4
234.91217	1.1
252.24969	1.0
291.20709	1.3
357.13214	1.2
405.31113	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	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51011	22.8
57.03429	32.8
66.68394	23.2
67.05497	64.6
71.44878	27.3
79.05515	34.3
81.07063	75.7
83.08595	27.5
90.21256	26.6
93.07059	51.8
95.08589	58.2
99.08102	25.7
104.99311	67.6
107.08605	39.0
119.00839	22.8
159.11716	31.3
179.41020	24.5
269.17548	100.0
332.42065	26.9
351.25354	48.8
374.09274	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	28.6
55.05516	27.2
55.05742	4.2
55.32425	3.7
57.03431	4.8
67.05504	40.0
69.07073	13.1
69.85842	13.4
71.04984	4.8
71.08633	21.0
79.05482	22.2
81.03431	4.1
81.07056	49.0
83.04974	14.1
83.08599	19.6
85.10166	15.4
89.77364	3.8
91.05482	35.0
93.07061	27.0
95.04955	8.4
95.08608	31.4
97.06516	8.9
97.10162	5.8
98.22694	4.9
99.08117	12.0
99.91582	5.0
104.99255	8.4
105.07025	21.9
107.04963	4.2
107.08619	19.9
109.06526	6.6
109.10162	15.2
111.08070	28.5
113.09629	13.5
117.06983	5.4
119.08566	11.5
121.10113	16.8
123.08085	7.7
123.11707	7.7
129.06992	5.9
131.08571	5.0
132.55783	4.4
133.10130	23.1
135.11690	11.5
139.11177	6.2
147.11687	22.4
149.09602	5.0
149.13278	9.9
151.11179	13.4
159.11618	4.3
161.13287	9.9
163.11153	6.5
165.12799	26.9
175.11269	10.4
179.14259	11.8
182.97836	4.3
231.21085	7.3
249.22295	5.0
259.20587	6.1
277.21619	100.0
278.21960	7.4
287.92404	4.1
295.22653	17.9
351.25293	99.8
352.25668	17.3
369.26379	74.8
370.26733	5.2
374.09607	6.3
404.14218	8.6
405.22272	9.7
405.30136	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20779	12.5
67.05495	79.5
69.03429	17.8
69.07054	40.6
71.04999	22.2
71.08626	34.2
79.05494	40.6
81.07063	74.1
83.04967	19.7
91.05467	21.5
93.07028	62.4
95.04966	14.0
95.08605	54.4
97.02873	19.7
99.08099	14.8
100.53920	14.2
105.07042	26.9
107.08595	35.9
109.10134	28.6
119.08557	30.1
121.10143	21.6
131.08569	17.8
133.10150	22.2
137.06018	15.2
139.78271	14.3
145.10098	28.2
149.13356	20.3
159.11703	37.3
173.13266	25.8
177.12753	26.2
187.14841	23.2
199.05402	23.6
201.16521	16.4
215.17990	16.6
227.04800	28.0
252.67311	15.7
269.17487	75.1
351.25204	20.4
375.00876	13.8
404.33545	23.0
405.35153	100.0
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
55.01867	29.9
55.05503	22.3
64.95141	5.9
65.50548	6.9
66.40002	8.1
67.05518	46.1
69.07069	15.9
71.08634	23.4
71.25123	8.9
79.05498	18.7
81.07059	62.9
83.04974	9.3
83.08604	21.4
84.71563	6.8
85.10160	12.0
91.05473	25.8
93.07053	36.3
95.04975	11.5
95.08605	39.5
97.06523	12.4
98.97587	19.0
99.08070	8.1
104.44231	7.5
104.95644	8.0
105.07021	20.2
107.08567	12.0
109.10159	15.7
109.50861	7.2
111.08095	33.0
113.09639	13.8
119.08566	25.2
131.08516	9.0
132.59459	8.0
133.10150	10.9
134.99741	7.2
137.05998	11.7
147.11649	17.4
149.09596	8.7
149.13303	10.1
151.11189	11.2
161.13272	15.8
165.12828	15.3
229.14487	8.4
231.21223	7.6
253.03815	17.5
256.64798	7.1
259.20755	9.4
269.17636	14.5
277.21625	62.0
295.22806	10.7
307.21188	7.1
329.07922	30.8
344.10327	19.5
350.08536	8.4
351.25296	59.0
352.25793	12.0
369.26407	100.0
370.26657	8.5
372.09863	65.6
404.17517	12.2
405.22620	44.3
405.37244	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	405.1521
Annotation	Flustramine H
Peak:m/z	Relative Intensity
69.03437	1.0
69.50552	1.7
72.90356	0.4
81.07050	0.6
83.04967	0.8
85.02881	0.8
97.02877	1.8
98.23493	0.5
111.04427	1.2
124.99363	0.4
127.03929	0.4
137.05890	0.5
139.07526	1.1
175.07596	0.5
187.07635	0.4
201.03712	1.0
203.05238	0.9
213.09167	0.5
231.13852	1.3
255.13857	0.6
273.14734	0.6
283.13321	0.6
301.14368	2.8
405.15155	100.0
406.15506	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	405.1519
Annotation	Flustramine H
Peak:m/z	Relative Intensity
69.55442	0.9
69.55828	1.0
76.02213	0.8
84.04505	0.7
85.02923	2.6
91.05525	0.5
97.02915	0.7
101.48048	0.4
107.08599	0.6
113.04308	0.5
116.01653	0.8
119.04956	1.0
121.06518	0.5
123.04423	0.7
137.65681	0.4
139.03917	1.8
147.04398	4.5
148.04724	0.4
149.05969	0.7
156.08485	0.5
156.10294	0.5
157.06801	0.5
163.07545	1.5
165.05434	4.1
167.07062	1.6
174.09521	0.5
175.03920	0.5
177.05432	1.1
191.07072	1.0
201.03923	0.4
207.06540	1.5
208.06894	1.7
209.08089	7.9
224.62965	0.4
226.07869	0.7
227.09131	7.8
246.09117	0.4
246.18269	0.4
259.11081	3.7
261.10095	0.8
276.04074	0.4
359.04596	0.5
405.15189	100.0
406.15570	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	405.173
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
60.42110	0.4
68.35055	0.3
69.03414	0.9
70.06577	0.4
70.68102	0.4
78.35043	0.3
79.37728	0.3
81.03416	1.0
81.04545	1.7
85.02885	1.9
87.00832	0.5
95.57607	0.3
97.02882	1.3
98.97579	0.5
99.04468	0.4
105.01881	0.8
109.02872	2.5
127.03938	1.5
127.05025	2.7
133.06418	0.3
141.05470	0.9
143.02000	0.3
145.04959	0.8
147.04381	0.5
157.42332	0.3
159.02922	0.4
163.03915	4.2
164.04239	5.0
165.05475	0.9
166.33328	0.4
207.06552	2.3
208.06834	2.1
225.07614	1.0
226.07893	2.1
240.89674	0.3
243.13770	1.6
354.09924	0.4
405.17300	100.0
406.17722	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	405.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.0
59.75019	1.1
67.05495	1.0
69.07069	0.8
69.17026	5.1
81.07046	0.8
81.76419	0.8
82.14906	0.8
84.54269	0.8
93.07046	2.7
95.08609	1.6
98.23458	1.4
104.99249	2.1
111.08105	1.6
115.57452	0.8
138.23734	0.8
138.50931	0.7
139.07570	2.3
151.03241	1.1
182.10016	0.9
202.64330	0.9
211.09468	1.1
264.13751	0.8
307.15112	2.7
323.38226	1.0
387.21396	42.2
388.21765	3.8
405.22464	100.0
405.37360	8.0
406.22824	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	405.2249
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
56.61213	0.5
65.30605	0.5
69.78182	1.4
69.78531	0.8
70.40055	0.4
71.00150	0.5
71.08616	0.5
93.07048	1.0
95.08589	1.2
98.13945	0.5
98.23408	0.7
104.99263	1.1
137.72701	0.6
145.10088	0.5
152.63010	0.5
173.01831	0.5
197.11467	0.7
262.98123	0.6
340.67532	0.5
405.22452	100.0
405.36923	3.0
406.22623	11.8
406.34717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.96558	0.9
67.05503	2.4
68.59193	0.8
69.07061	1.2
71.30231	0.9
73.09044	0.7
81.07060	1.5
82.07378	0.9
84.45882	0.8
84.69180	0.9
91.05483	0.9
93.07043	2.4
95.08584	1.0
98.97591	7.2
99.97974	1.4
104.99294	2.1
111.08066	0.9
116.98586	4.1
117.07116	0.8
134.99629	1.1
137.05998	3.8
138.06335	2.2
197.30421	0.8
214.74957	1.1
227.11427	1.2
235.02771	2.6
236.03110	3.3
246.88025	0.9
253.03880	3.2
254.04242	3.3
270.17813	3.4
278.05698	0.8
302.08826	1.6
329.07373	1.9
330.08414	6.4
342.50726	0.9
345.10641	4.6
373.10059	16.9
374.10449	1.1
374.90619	1.0
405.17963	6.2
405.22443	100.0
405.37173	2.7
406.17929	1.6
406.22644	8.0
406.35059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2611
Annotation	Sicanatriol 7beta,18-diacetate
Peak:m/z	Relative Intensity
64.24481	0.3
79.79057	0.3
83.01111	0.9
104.16843	0.3
112.04936	0.3
127.03667	0.4
155.06841	0.6
171.06317	0.9
209.71703	0.3
251.27940	0.3
293.13623	1.6
405.26120	100.0
406.26450	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	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.4
56.26638	1.9
57.07070	4.0
67.05507	12.1
69.03410	2.2
69.07050	4.8
69.65027	7.7
70.06562	2.1
76.12074	1.8
79.05488	6.7
81.07061	11.8
83.08604	5.1
91.05479	3.9
93.07040	4.4
95.08617	12.1
97.10184	3.4
103.12260	1.9
104.99275	2.9
105.07028	2.9
109.06507	2.6
109.10149	5.9
121.10160	3.3
123.11727	2.5
137.05968	10.8
139.03845	2.6
139.07552	3.0
145.06392	2.9
151.07539	5.1
152.04681	2.5
154.06230	8.5
165.09073	6.4
167.03389	10.0
167.07054	16.8
169.08630	8.6
175.07449	1.7
177.09064	2.1
179.17944	2.5
181.08600	10.0
182.05746	12.9
188.68968	2.1
191.07057	4.5
191.10733	2.5
193.08574	2.9
197.08089	100.0
198.08444	3.3
205.08585	4.8
207.10172	4.5
219.10175	4.6
231.10124	3.3
233.11694	4.2
239.09131	8.4
247.13329	7.1
249.14923	9.7
263.16479	6.4
331.22678	17.8
341.12518	4.1
345.24255	24.4
346.24301	3.6
363.25140	4.7
406.26730	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	405.2635
Annotation	Gibberosene E
Peak:m/z	Relative Intensity
55.01871	2.1
55.05507	1.9
57.07058	1.4
59.46154	1.3
65.53699	1.4
67.05486	2.1
69.07069	4.4
71.46268	1.4
72.59003	1.3
72.70789	1.3
79.05482	2.8
81.07062	2.5
83.08617	1.9
90.42487	1.6
95.08584	2.6
101.89578	1.4
107.04954	6.1
109.10176	1.6
110.03664	1.9
117.07020	2.5
118.28060	1.6
119.04901	1.7
123.04413	5.2
125.05987	11.3
133.06558	2.0
137.05956	3.5
138.03052	1.8
141.05478	3.3
145.06445	2.8
147.04427	5.6
147.60071	1.3
149.05989	9.3
150.42761	1.4
153.05469	100.0
154.05804	3.1
161.05991	3.6
163.07553	14.6
177.05571	2.4
177.09097	13.0
179.07028	15.8
193.08582	13.3
195.06522	27.4
221.08018	3.2
268.15540	1.7
271.20493	1.8
278.00574	1.5
281.23306	1.4
289.21539	3.7
303.23224	19.2
306.21887	3.0
314.40259	1.5
319.22647	9.0
321.24234	38.3
322.24445	1.8
345.24304	2.9
363.25259	31.9
364.25439	2.1
387.25162	1.7
405.26291	3.0
405.34506	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	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.01873	2.1
55.05508	2.7
57.07084	7.0
67.05500	9.9
69.07067	1.7
69.33554	0.7
71.08633	6.3
71.23127	0.8
79.05490	1.5
81.07066	1.6
83.04981	0.9
83.08612	1.3
85.10188	2.8
87.22659	0.8
88.22176	0.7
91.05493	5.2
93.07046	40.0
94.07371	0.8
95.04974	2.3
95.08602	22.0
97.06541	1.6
97.10215	0.7
105.04537	1.8
105.07030	0.9
107.08598	4.7
107.09235	0.9
109.10128	2.3
111.08084	20.5
112.08359	0.9
114.37176	0.9
121.06509	2.9
121.10120	1.2
125.09621	1.7
127.07559	2.2
137.26671	0.8
137.58061	0.8
139.07538	18.5
153.09114	10.1
157.08647	2.6
164.77567	0.9
167.10681	7.6
169.01056	0.8
181.12253	5.7
195.13844	3.5
209.15375	3.0
213.80318	0.9
223.16911	1.8
237.18542	1.1
251.20233	0.9
265.21835	1.0
279.23120	1.8
293.24875	0.9
398.29980	0.9
405.37268	100.0
406.37653	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	406.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.6
55.01870	7.3
57.03429	5.1
60.14352	1.4
61.02913	5.2
68.99791	3.5
69.03424	25.0
69.77772	5.4
71.04980	3.8
73.02921	7.5
80.44627	1.4
81.03416	29.2
85.02905	100.0
86.03221	1.4
87.00828	32.9
91.03933	1.6
92.47601	1.5
97.02887	30.5
99.04447	15.9
103.03934	8.3
103.18147	1.2
105.01868	34.0
108.04474	5.6
109.02878	90.6
110.03198	1.5
111.04537	1.3
117.01858	2.2
120.57595	1.6
125.22346	1.4
126.05508	2.9
127.03919	66.3
128.04274	1.8
129.01843	6.2
133.02827	5.6
139.03906	2.0
141.05463	45.4
145.04947	44.5
147.02879	5.0
147.04387	2.9
159.02910	18.4
165.05458	19.6
171.02863	2.5
177.05447	2.7
179.06990	1.8
183.06590	3.3
189.03975	15.2
189.05469	2.3
191.06842	1.5
191.12517	1.2
203.06975	3.5
207.06535	18.8
209.08116	1.5
213.03876	2.0
227.09100	1.8
231.04581	12.7
231.06641	9.1
239.67339	1.5
248.07515	1.6
249.07648	17.4
301.90482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.3
53.86810	1.3
55.01876	9.4
57.03430	6.8
61.02916	6.9
68.99786	2.5
69.03432	29.8
69.77349	3.3
69.77700	3.2
70.06576	2.9
71.04988	5.5
73.02913	8.3
81.03419	31.3
83.01325	2.1
84.08125	5.8
84.08618	1.4
85.02906	100.0
86.03223	2.1
87.00832	37.9
88.33620	1.7
97.02892	36.3
99.04466	15.1
103.03924	6.8
105.01874	37.7
108.04482	4.4
109.02880	99.8
112.89606	1.7
115.03848	1.7
116.07091	2.7
117.01839	2.6
126.05530	2.2
127.03918	68.3
129.01840	6.8
130.08650	8.7
133.02811	3.5
134.30844	1.5
137.05957	1.8
141.05476	49.7
142.58879	1.7
145.04965	42.7
146.08102	6.0
147.02898	5.6
153.07504	1.7
159.02878	17.7
163.03900	4.6
165.05486	20.0
171.03004	2.1
171.50865	1.7
177.05487	4.4
183.06511	3.1
189.03937	15.4
191.07269	1.5
203.06975	3.8
207.06531	17.4
208.06943	1.8
213.03893	2.1
231.04651	13.2
231.06668	6.6
249.07751	17.5
277.07706	10.3
346.13416	5.0
353.08649	1.7
376.14316	1.8
406.10956	3.1
407.01483	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05511	2.8
56.05043	6.8
57.03439	7.1
58.99582	12.0
61.01151	1.2
67.05512	1.1
68.05030	1.3
69.07066	1.4
70.19379	1.0
70.19695	1.3
71.04987	1.2
73.01136	2.6
74.00659	2.3
74.02432	0.8
76.02232	25.9
76.03999	2.9
79.05498	5.0
80.05013	1.5
81.07060	22.3
82.07385	1.3
83.06107	1.6
84.04507	33.7
85.01142	3.8
86.00647	6.0
86.99056	6.7
87.02705	6.8
88.02207	3.0
93.07030	2.0
94.06593	1.2
95.08614	3.5
97.01141	2.1
97.06533	2.5
97.45147	0.7
98.09702	13.2
98.22811	0.9
99.05596	1.3
99.08112	5.4
102.05539	6.5
105.07026	2.4
107.08578	1.2
110.09679	1.5
111.08057	1.1
112.03999	4.7
113.04239	6.6
114.03746	1.0
115.05793	2.1
116.01681	26.6
117.01993	1.2
121.06520	1.5
122.09641	1.8
123.08103	1.8
127.05789	2.2
129.06610	2.8
130.05009	9.8
130.06828	5.6
130.08626	1.6
131.08566	4.7
139.05760	2.3
142.03244	1.9
142.05051	1.3
143.02785	0.9
144.01144	11.3
145.06012	1.8
145.10170	1.8
149.09631	2.4
156.08438	20.1
156.10205	13.9
157.06824	8.1
162.02208	26.4
170.02715	1.5
174.09508	11.7
179.04846	9.8
188.03743	1.3
189.03270	1.9
191.10677	1.6
191.79533	0.8
191.81516	0.9
207.26717	0.8
209.11691	10.8
210.11258	2.8
216.06885	5.3
233.05908	1.6
242.08403	1.5
245.06076	1.6
247.05338	0.8
252.55223	0.8
259.11130	100.0
260.09186	1.6
260.11685	5.4
277.12180	2.0
285.12683	2.1
308.09116	1.2
313.12247	4.5
331.13208	6.5
343.13266	1.4
388.15439	1.9
406.16498	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	406.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.0
55.05501	1.4
56.05032	6.8
57.03429	4.6
58.99585	9.8
61.01130	0.7
68.05033	1.7
69.07066	1.5
70.02960	0.7
70.19279	1.0
70.19601	1.1
73.01113	1.3
74.00667	1.9
75.51661	0.7
76.01814	1.4
76.02227	21.5
76.03980	2.1
79.05486	4.5
80.05005	0.8
81.07057	18.6
83.06113	1.4
84.04499	24.6
85.01131	3.2
85.02920	0.7
86.00645	5.0
86.99055	6.6
87.00957	0.6
87.02699	5.8
88.02222	1.7
94.06559	1.2
95.08598	3.3
96.08129	0.7
97.01118	0.9
97.06525	2.0
98.09686	11.4
99.08109	4.6
102.05538	3.4
105.07043	2.0
108.25494	0.7
110.09676	1.4
111.06187	0.6
112.03957	3.2
113.04221	6.0
114.03737	0.9
115.05784	1.3
116.01677	22.9
122.09624	0.9
123.08016	1.5
127.05735	1.5
129.06604	2.8
129.07436	0.8
130.05009	7.4
130.06860	4.8
130.08664	1.4
131.08598	0.9
134.63680	0.7
139.05763	1.6
142.03227	1.6
144.01149	7.9
145.05988	1.5
149.09587	0.9
156.08420	18.0
156.10193	10.5
157.06824	8.0
162.02205	20.5
167.07036	19.4
174.09480	13.2
177.05502	0.9
179.04854	8.5
189.03242	1.9
201.18974	0.6
209.08116	3.8
209.11813	1.8
210.11250	2.0
213.10448	0.9
216.06860	4.1
227.09117	7.4
233.05945	2.7
242.08461	0.9
245.05908	0.7
259.11115	100.0
260.11652	3.8
277.12115	1.8
285.12683	2.0
313.12033	4.6
331.13287	5.4
343.13055	0.8
388.14880	1.1
406.16260	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	406.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05490	2.1
57.03436	2.0
58.87762	0.9
58.99583	1.8
61.02914	1.2
62.88651	1.0
68.99802	1.9
69.03434	3.6
69.55813	2.7
76.02233	3.1
76.33427	1.1
79.05480	1.7
81.03414	1.3
81.07062	4.0
84.04510	4.4
85.02900	13.0
86.25035	1.0
91.05475	1.8
95.08614	1.5
97.02898	3.5
98.09715	1.7
99.04439	1.3
99.08102	1.0
105.07023	1.1
107.04990	2.0
111.04424	3.7
116.01672	2.8
119.04939	10.6
121.06518	1.6
121.10149	2.3
127.03928	1.8
135.04375	1.3
135.08035	3.4
137.05980	1.1
139.03879	27.5
139.07574	1.2
145.05016	1.6
145.06425	1.0
147.04402	45.3
148.04755	1.4
149.05971	5.2
153.05453	3.2
156.08449	3.6
156.10150	2.7
158.46007	1.0
162.02225	1.6
163.03899	3.5
163.07544	21.4
165.05476	47.4
166.05737	1.7
167.07068	3.7
173.06023	1.7
174.09518	1.6
177.05486	1.4
191.07039	13.2
209.08083	100.0
209.15475	2.0
210.08464	3.8
227.09134	86.3
228.09486	2.5
259.11160	16.7
274.96078	1.1
317.10449	1.3
326.75311	1.1
357.48743	1.0
359.25095	1.1
406.15405	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	406.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68200	0.7
54.22565	0.8
54.30306	0.8
55.01867	1.1
55.05506	2.7
57.03436	1.5
58.83406	1.0
58.99572	1.2
61.02920	1.8
68.99785	1.2
69.03418	3.1
69.55468	1.8
69.55848	2.1
71.04960	0.8
76.02200	1.3
81.03422	1.2
81.07047	1.2
83.04958	1.0
84.04497	1.9
85.02895	12.5
85.03832	0.8
86.99051	1.0
91.05475	1.1
95.08612	1.4
97.02898	3.0
99.04458	1.1
101.05994	1.1
107.04975	1.3
111.04443	4.4
116.01671	1.1
117.07048	1.6
119.04931	10.0
123.04430	3.0
127.03960	1.2
135.08063	3.9
139.03902	25.7
140.04247	0.9
145.04909	2.1
145.06500	1.4
147.04405	49.0
148.04768	1.9
149.05962	5.6
153.05533	1.8
156.08424	1.3
156.10164	1.2
162.02180	1.3
163.03964	4.9
163.07542	20.8
165.05481	49.3
166.05846	2.3
181.08594	2.3
189.05467	0.9
191.07037	12.8
209.08081	100.0
210.08411	4.8
217.38469	0.8
227.09140	86.8
228.09485	4.2
259.11139	6.8
308.24542	0.9
406.15482	2.2
407.14529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
56.05026	2.8
57.03437	2.8
58.99583	2.4
61.02938	2.3
69.03428	4.6
69.07060	1.1
69.91727	2.3
73.02903	1.6
76.02242	5.8
79.05495	1.8
81.03421	2.1
81.07052	5.6
84.04502	7.8
85.02909	15.4
86.03275	1.0
86.99029	1.3
91.03929	1.0
91.05476	2.8
93.07041	4.3
95.04926	1.8
95.08610	1.8
97.02898	4.8
98.09688	4.4
103.05466	3.6
105.07018	2.4
107.04950	3.5
107.08599	1.6
109.02863	1.7
111.04443	2.0
113.04230	2.2
116.01670	4.4
119.04946	2.9
121.02862	9.2
121.06501	8.7
123.04417	2.9
127.03934	2.1
129.06560	1.3
130.05032	2.0
131.04927	5.4
131.08598	1.4
133.10127	2.7
134.31128	1.0
135.08066	2.2
135.11707	1.3
137.05954	6.4
139.03906	9.1
139.07484	1.3
140.04636	2.1
144.01175	1.7
145.04951	1.9
147.04407	13.6
148.05215	1.2
149.05986	15.0
153.05507	1.5
155.01985	1.0
155.07027	2.7
156.08447	5.6
156.10165	3.4
157.06856	1.4
159.04430	2.8
162.02205	4.3
163.03941	2.5
163.07561	6.7
165.05466	13.2
167.07037	90.9
168.07407	2.5
169.04942	1.4
173.13306	1.2
173.19775	1.1
174.09486	3.9
177.05464	36.0
178.05875	1.1
179.04883	1.6
181.08586	1.0
183.52766	1.0
191.07025	6.5
191.14299	3.0
191.62923	1.1
195.06496	2.7
199.08226	1.5
209.08089	50.7
209.11394	2.1
210.08340	1.8
213.07646	2.3
227.09142	100.0
228.09453	3.9
244.05840	1.1
259.11124	31.9
260.11639	1.9
331.13123	1.2
365.12927	1.3
388.14966	1.3
396.49405	1.2
406.10675	1.9
406.15671	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	406.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
56.23636	0.4
61.02916	1.4
64.26878	0.4
67.05498	0.5
69.03439	2.7
69.07064	1.4
71.04191	0.6
71.04993	1.1
71.43999	0.5
77.66943	0.6
79.05491	1.9
81.03432	0.8
81.07065	0.9
85.02904	7.8
91.05470	1.9
93.07032	2.4
95.04987	0.8
95.08601	4.4
97.02899	3.0
97.06510	1.2
105.07013	1.8
107.04932	4.2
107.08572	3.0
109.02863	0.9
109.06511	1.1
109.10152	1.3
111.08082	0.6
118.96027	0.4
119.08537	0.9
121.06497	3.2
121.10147	3.6
123.08107	0.8
124.05196	3.3
125.05980	1.6
125.09566	0.6
127.03930	1.6
131.08548	1.3
133.10123	24.1
134.10458	0.9
135.08046	2.0
137.05991	0.7
139.07538	23.8
139.11218	0.7
145.04956	1.7
145.10120	1.2
147.11691	0.9
149.06013	3.0
149.09622	0.9
149.13268	0.8
151.03870	0.6
151.11177	6.0
153.05482	2.5
153.09062	1.2
158.10918	0.8
163.07497	0.5
163.14804	1.6
166.06259	5.3
167.07030	100.0
168.07399	4.3
173.13252	8.2
177.05479	3.2
177.09082	1.0
180.08624	0.6
181.08588	23.6
182.08965	1.4
191.10599	0.9
191.14305	14.7
191.15958	1.1
209.08081	69.9
209.11639	2.3
209.15318	7.3
210.08434	3.1
215.97559	0.4
227.09126	21.9
228.09450	0.6
242.73003	0.5
245.09236	1.0
267.70319	0.5
322.72928	0.5
371.16760	2.0
407.14389	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69366	0.9
53.03938	1.1
61.02924	1.7
67.05486	1.0
69.03418	2.5
69.57915	1.9
69.58276	2.1
71.04977	3.6
73.02906	1.1
77.03908	1.2
79.05498	1.7
81.03444	0.9
81.07051	1.4
82.67696	1.0
85.02897	8.1
85.06551	1.0
87.04424	0.9
91.05482	2.6
93.07024	2.1
93.50751	0.9
95.04953	1.3
97.02876	2.9
98.23418	1.9
98.97535	1.1
105.07005	1.3
107.04941	7.1
108.05707	1.1
109.02913	1.1
119.04933	1.5
121.06501	3.4
123.08124	2.1
123.11697	2.9
124.05204	2.9
125.05984	4.1
127.03840	2.1
131.08580	1.4
133.06528	1.9
136.05238	1.2
137.05975	19.2
139.03929	7.0
139.07544	31.8
145.04930	2.9
145.10153	1.1
149.05937	1.5
149.09583	1.5
151.07545	71.3
152.04686	19.5
152.07928	2.1
153.09036	1.7
153.66568	1.1
154.77866	0.9
163.07516	1.7
163.11186	2.9
165.05775	1.0
166.06255	14.9
167.07042	56.6
167.10699	3.0
168.07320	2.3
176.08282	1.8
177.09102	1.8
181.08595	20.0
191.10674	37.6
192.11067	2.2
197.71843	1.0
209.08096	100.0
209.11653	27.9
210.06755	1.0
210.08400	5.3
210.11967	1.3
227.09157	25.6
227.12691	21.5
227.16452	3.8
305.61264	1.0
306.18182	1.1
310.42337	1.0
341.31680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
67.05477	2.1
69.03442	2.3
69.07063	1.7
69.94993	2.0
69.95296	2.1
71.04986	7.4
75.50815	1.6
79.05499	10.9
81.03413	1.7
81.07054	2.5
83.04995	1.9
85.02897	2.3
87.74676	1.9
91.05493	6.3
93.07043	9.3
95.04961	2.7
95.08615	2.1
98.97572	3.5
99.04449	1.8
105.07035	8.0
106.02910	1.8
107.04962	3.7
107.08601	18.2
111.08101	1.6
116.98661	2.8
117.07027	2.4
119.08537	4.0
119.12177	1.5
121.02866	27.1
121.03868	2.0
121.04044	1.8
121.06510	10.7
121.10155	6.7
122.03181	2.0
124.03968	6.9
125.06005	2.4
125.13689	1.5
129.06984	2.6
131.08566	57.5
139.03880	4.9
145.10123	13.3
149.05902	2.1
149.09608	23.2
153.05498	5.9
163.07480	2.7
163.11143	8.9
165.05434	1.5
165.09088	2.5
167.07053	2.5
173.13261	1.9
174.39935	1.5
181.08650	3.2
191.10672	21.4
191.14359	2.1
197.47565	1.4
207.10258	2.9
209.08351	3.6
209.11739	100.0
210.12083	4.7
268.08188	2.5
406.11777	1.7
406.17413	5.0
406.38461	1.9
407.13046	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	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05503	4.3
57.07088	3.1
65.27862	1.6
67.05509	4.4
69.03448	3.4
69.07062	5.9
70.51279	2.0
70.51595	1.7
71.04996	11.1
76.02227	3.9
79.05493	11.9
81.07053	7.6
83.04974	3.3
83.08627	3.1
84.04489	5.8
84.86939	1.6
85.02922	5.0
91.05473	8.9
93.07044	17.1
95.04971	4.0
95.08595	2.1
97.06540	3.4
105.07024	12.5
107.04983	3.3
107.08591	27.0
109.06535	3.0
109.10172	3.0
116.01670	3.3
117.07016	2.2
119.08580	9.1
121.02855	5.9
121.06527	8.7
121.10151	16.9
124.03961	7.8
129.06949	2.6
131.08566	69.4
132.08928	4.3
133.10152	12.1
135.08060	5.7
135.11734	4.8
137.09604	3.4
139.03888	5.8
143.08511	2.0
145.10123	21.3
147.11665	10.2
149.09612	24.4
149.13251	10.2
150.09979	2.6
153.05489	3.0
156.08394	4.4
157.06842	2.8
158.10902	3.1
163.11176	10.0
163.14818	7.9
164.99374	1.8
165.09125	3.0
173.13268	19.3
175.14819	5.6
179.04861	2.0
180.94702	1.8
189.12830	3.0
191.10681	18.5
191.14325	31.7
196.39307	1.9
209.11723	100.0
209.15410	7.1
210.12070	3.7
227.09161	2.3
259.11093	16.8
287.04141	1.8
293.83203	1.6
323.08716	1.9
389.13684	3.0
406.17123	4.2
407.17078	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	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05520	1.6
56.37410	1.2
57.07075	1.5
58.67953	1.1
59.04991	1.3
63.89387	1.1
67.05502	2.9
69.03428	1.4
70.23491	2.6
71.04987	8.0
79.05489	3.6
81.03400	1.2
81.07043	2.3
82.65707	1.2
85.02901	6.8
85.03349	1.0
85.06542	19.7
91.05482	4.2
93.07050	5.5
95.04946	1.2
97.02903	2.6
99.08103	1.4
105.07044	3.7
107.04967	3.2
107.08595	4.3
109.06522	1.7
111.04407	2.4
116.17181	1.0
117.07012	1.4
119.08591	3.8
121.06501	6.5
121.10144	3.8
123.08105	1.7
124.13574	1.1
125.05975	2.6
127.03893	1.8
131.08548	15.0
133.31998	1.3
135.08073	1.2
137.05972	40.8
139.03883	1.6
139.07538	4.7
145.05000	1.6
145.10104	6.9
147.04326	1.2
147.08107	1.6
149.05980	2.2
149.09622	10.4
151.07533	34.9
153.05489	2.2
155.07103	1.4
159.07990	1.1
162.06775	2.5
163.07513	5.7
163.11183	10.3
165.09163	3.3
167.07045	9.7
167.10629	5.9
173.09567	1.9
176.08328	3.6
177.09094	1.4
181.08614	2.1
191.10667	100.0
192.10991	3.3
209.11713	70.2
210.12064	2.4
218.17140	1.3
224.39737	1.1
227.09233	2.8
227.12775	80.2
228.13113	3.3
259.10999	2.9
341.59793	1.3
351.12762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05508	8.4
56.05048	1.2
57.03420	3.9
57.07070	2.7
58.99557	1.5
59.05009	2.0
60.06281	1.2
61.02900	1.7
63.31886	1.4
67.05500	5.0
69.03426	6.3
69.07065	8.7
69.24499	4.8
69.24908	3.5
70.50655	1.3
71.04977	2.0
74.17875	1.6
76.02225	2.9
79.05492	14.1
81.03407	1.5
81.07056	41.1
82.07364	1.4
83.04974	23.2
83.08618	8.0
84.04503	3.5
85.02893	16.2
85.06554	3.8
91.05473	7.8
93.07046	17.9
95.04964	6.7
95.08605	12.6
97.02903	4.7
97.06517	11.4
98.09685	1.8
98.97592	1.5
99.04476	2.1
99.08098	2.3
105.07017	12.7
107.08585	56.6
109.02895	3.2
109.06512	47.5
109.10139	14.2
110.06887	1.5
111.08076	6.0
113.09631	1.3
115.07574	3.6
116.01659	4.1
119.08569	7.6
121.02858	27.7
121.06478	1.4
121.09270	2.8
121.10144	53.6
122.03248	1.8
122.10468	2.5
123.08069	5.8
123.11719	7.9
125.09609	11.8
127.03920	3.7
131.08551	9.7
133.10129	58.9
134.10437	3.0
135.08081	9.1
135.11664	13.9
137.09602	11.6
137.13258	4.7
139.03900	4.5
143.08516	1.5
145.04948	3.7
145.10136	5.2
147.11681	11.4
149.09612	1.9
149.13242	21.0
150.13531	1.9
151.11169	5.1
153.09120	11.5
156.08417	4.3
158.10873	2.8
162.02191	2.1
163.06079	2.1
163.14816	27.8
165.12746	1.8
167.07100	1.7
167.14259	7.4
171.10207	1.8
173.13254	21.1
174.09517	1.7
175.14810	3.8
179.04877	1.6
181.15858	9.9
189.11191	1.8
191.12549	2.3
191.14290	44.5
191.15945	2.4
192.14708	2.9
209.12042	2.4
209.15355	100.0
210.15665	6.6
213.07558	7.9
214.65424	1.4
218.28096	1.3
223.81873	1.5
227.09123	2.7
227.16418	4.1
256.21182	1.3
259.11072	13.9
272.04666	1.6
371.20673	4.7
407.13940	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.0
57.03430	1.4
61.02930	1.8
67.05503	1.8
69.03423	5.1
69.07056	2.2
71.04977	1.5
71.44930	1.1
73.13124	1.1
77.41523	1.0
79.05498	5.3
81.03416	1.1
81.07052	4.9
83.04971	2.9
83.08604	4.4
85.02897	12.6
85.06527	1.6
87.04454	2.2
91.05470	4.2
93.07028	6.2
95.04977	3.7
95.08598	2.3
97.02895	3.3
97.06551	3.7
99.04475	1.9
101.92368	1.1
105.07041	6.5
107.04957	9.6
107.08562	7.9
109.06518	6.9
109.10169	6.5
111.08120	1.4
115.07617	1.4
119.08566	4.5
121.06507	2.8
121.10146	9.8
123.04420	1.2
123.08088	1.7
123.11703	10.3
124.05200	3.2
125.05971	4.6
125.09606	2.2
127.03926	2.6
131.08580	4.2
131.18904	1.1
133.10139	12.7
135.08089	2.7
137.05960	4.1
139.03912	6.5
139.06453	1.8
139.07521	35.0
139.11218	1.0
140.07922	1.9
145.04918	2.3
145.10078	1.5
147.11694	5.3
149.05949	1.8
149.09598	2.8
149.13223	2.2
151.03864	2.1
151.07532	14.0
151.11174	7.6
152.04668	23.6
152.05870	1.6
153.09111	3.6
163.07559	3.4
163.14752	2.1
165.12779	2.6
166.06271	16.1
167.07033	53.7
167.10667	8.3
167.14278	7.0
168.07367	3.5
173.13254	9.0
175.14830	7.9
177.09196	1.3
181.08592	24.3
182.08975	1.2
187.27003	1.1
191.10640	9.3
191.14323	6.2
207.06616	1.2
209.08090	100.0
209.11707	8.3
209.15363	28.2
209.17236	2.2
210.08409	4.0
219.20689	1.1
227.09149	25.7
227.12756	3.6
227.16435	14.4
259.10974	1.9
304.99722	1.3
327.57886	1.1
347.75040	1.1
383.49936	1.3
406.17737	4.6
407.13037	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26526	2.7
55.05507	5.5
57.07099	2.8
63.54756	2.2
65.49532	2.4
67.05513	5.2
69.03444	3.9
69.07069	5.2
69.31066	14.3
79.05492	7.8
81.07053	7.0
83.04979	3.0
85.02910	9.6
91.05498	4.3
93.07047	7.4
95.04964	12.4
95.08611	8.8
97.02946	3.1
97.06549	16.7
99.04453	5.2
99.08109	3.4
105.07011	11.0
107.04994	4.6
107.08618	14.2
109.06522	22.8
109.10146	5.8
111.08076	3.1
115.07582	3.4
119.08575	7.5
121.10133	17.8
123.08078	3.5
125.09634	3.5
131.08591	7.2
133.10138	29.9
135.08054	72.5
135.11623	3.4
137.09615	8.1
145.10110	5.4
147.11703	21.8
149.13257	8.5
151.11234	4.3
153.09096	15.5
155.10660	17.4
159.24054	2.4
163.14809	4.4
165.12790	7.3
167.14316	3.4
173.13249	16.1
191.14311	58.9
192.14664	3.2
209.15364	100.0
210.15646	5.0
211.14392	3.3
227.16405	68.6
228.16843	4.5
238.13786	2.9
261.65543	3.5
270.11993	3.1
362.28073	3.8
375.44647	2.8
394.53705	2.7
401.38794	2.7
406.30606	4.2
429.68655	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	1.2
55.05512	17.5
57.03443	1.2
67.05505	2.5
69.03424	2.6
69.07052	1.9
69.33591	3.2
69.34005	1.7
74.77957	0.9
78.27168	0.7
79.05482	1.3
81.07054	4.0
83.04978	14.7
83.08625	14.2
85.02904	2.4
91.05489	1.1
93.07047	2.8
95.04987	2.0
95.06081	1.0
95.08595	2.6
97.06532	2.6
97.10182	2.4
99.04460	0.8
104.70062	0.9
105.07052	1.7
107.08592	9.0
109.06502	1.9
109.10152	9.1
111.08091	2.7
119.08539	1.4
121.10154	4.8
123.08080	1.4
123.11721	4.5
125.09670	3.8
127.11231	1.0
131.08667	1.1
133.10101	4.3
135.08044	2.9
135.11691	4.4
137.09555	1.1
147.11702	3.6
149.13237	4.1
151.11186	20.3
153.09097	0.9
163.14783	2.0
167.14311	25.4
173.13272	5.6
191.14258	6.5
209.15370	100.0
210.15668	4.7
227.16415	2.9
261.31873	0.8
377.25955	1.0
407.16760	2.0
432.47522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.1
69.03449	2.1
69.07068	2.9
76.02245	2.7
81.07054	12.2
83.04940	1.7
84.04509	2.5
85.02909	4.0
87.04439	8.9
91.05501	2.5
93.07040	9.9
95.08614	3.7
97.02917	3.2
105.07031	3.4
106.79948	1.9
107.08622	3.6
111.11736	1.7
116.01685	3.8
119.08611	2.7
119.22293	1.6
120.26581	1.9
121.10141	27.9
123.04389	2.0
123.11702	44.6
124.12040	3.1
133.10155	7.0
139.03900	100.0
139.11133	2.3
147.11702	7.5
149.09634	12.4
151.03906	4.1
151.11166	23.8
162.02246	2.0
163.03951	3.8
165.12790	3.8
167.07036	2.3
167.10675	49.2
173.13283	3.1
175.14905	2.6
191.14279	4.1
205.05103	2.0
209.11681	2.8
209.15367	6.6
213.39560	2.0
227.16415	67.0
245.07947	2.6
259.11099	10.1
263.91327	1.8
289.07065	12.6
407.12308	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2588
Annotation	Leuconine
Peak:m/z	Relative Intensity
55.05504	1.0
57.03418	0.7
67.05508	1.2
69.07055	1.3
69.80399	1.8
72.06332	0.6
79.05481	1.7
80.05019	0.6
81.07043	3.1
84.04478	1.7
85.02898	23.6
85.60410	0.6
91.05464	1.3
93.07046	6.3
94.06545	0.8
95.08579	1.7
98.23405	0.7
105.07016	1.5
107.07332	2.5
107.08571	3.2
108.08089	1.0
113.02329	1.5
114.00453	0.6
114.05539	0.8
117.07002	0.6
119.08559	1.9
120.08128	1.1
121.10107	1.1
125.16689	0.6
131.03348	1.9
133.10126	0.9
134.09642	6.4
135.10378	0.9
135.11681	3.2
146.09671	1.8
147.10417	1.1
148.11197	6.8
149.13286	0.7
161.13170	1.1
162.12775	47.4
163.13190	1.7
176.14302	4.5
177.15125	1.6
178.15875	2.0
237.09900	1.4
244.17105	0.8
250.10820	1.3
259.11240	0.8
264.12329	1.3
266.13980	1.1
276.23254	7.3
278.13885	4.2
292.15408	61.0
293.15735	3.4
294.16785	1.4
308.18542	18.6
336.17996	1.8
360.25525	1.0
399.38892	0.6
406.25858	100.0
407.26099	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	406.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
57.48041	0.4
69.07064	3.0
70.73897	0.7
79.92136	0.5
83.08601	0.8
88.45193	0.4
107.97896	0.4
109.06557	0.8
125.05977	0.9
137.05969	100.0
138.06311	2.4
147.08026	0.8
151.07544	1.0
161.09631	1.9
179.07022	1.8
219.16861	0.5
221.08124	0.5
287.23630	2.4
305.24728	49.1
306.25049	3.2
347.25787	11.1
348.26169	1.2
406.29523	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	406.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74931	0.2
55.05511	3.3
57.07083	1.6
57.76851	0.2
61.63026	0.2
62.02659	0.2
67.05504	2.9
67.94126	0.2
69.06715	0.4
69.07067	5.8
69.07438	0.3
69.49738	1.1
71.08636	1.0
73.20390	0.2
73.50390	0.2
74.15546	0.3
74.71712	0.2
76.82945	0.3
77.03926	0.3
79.01846	0.2
79.05495	1.6
81.06570	0.3
81.07053	5.3
83.01328	0.7
83.04963	0.3
83.08620	3.4
85.10166	0.4
91.05471	2.0
93.07046	1.7
95.08601	2.5
97.10175	2.7
105.07020	0.3
107.08603	0.9
109.06516	1.1
109.10141	1.4
111.11707	1.1
119.04964	0.3
121.06506	1.3
121.10143	0.9
123.11691	0.5
123.38912	0.3
125.06000	1.3
125.13210	0.3
129.07002	0.6
135.08026	0.2
135.11690	0.7
137.05971	100.0
138.06305	3.0
139.07515	1.1
143.08615	0.2
143.14346	0.3
145.06470	0.3
147.08084	0.3
149.09610	0.2
151.03929	0.5
151.07559	1.4
160.05232	0.4
161.05992	0.6
161.09544	0.4
162.06671	0.5
163.07547	6.6
165.09129	0.5
167.07076	0.6
172.50191	0.3
174.06825	0.4
175.07542	8.0
175.11241	0.3
176.08138	0.3
177.09077	1.6
179.07022	8.8
181.08611	0.3
189.09082	3.4
191.10646	0.7
191.17958	0.4
193.08629	2.7
203.10655	10.9
204.11096	0.5
205.08643	0.5
205.12238	5.8
205.14082	0.5
205.19487	0.4
217.12222	6.9
218.12628	0.3
219.13728	1.4
231.10181	0.3
231.13771	2.7
233.15314	0.4
245.11714	2.1
245.15399	0.6
259.13187	1.3
273.14761	0.5
287.20010	0.3
328.22659	0.2
329.24734	30.6
330.25031	2.7
347.25800	12.4
347.29150	0.2
348.26175	0.9
371.25787	4.3
389.26831	4.2
390.27191	0.7
406.29620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	21.3
63.48540	20.5
66.99689	18.6
69.07066	24.7
69.22273	100.0
89.06017	38.8
98.22887	77.2
99.16963	25.9
99.22643	24.7
123.04406	27.0
131.31129	19.1
139.43324	20.1
149.95299	19.4
151.07578	25.5
163.13274	19.5
329.58972	21.4
367.72488	22.8
406.29224	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.8
57.07061	2.0
66.78413	0.4
67.01846	0.7
67.05499	3.2
69.07062	7.4
69.42403	2.5
71.08613	1.4
75.16123	0.5
79.05484	2.9
79.11037	0.4
81.07050	6.0
83.08615	4.2
91.05498	0.7
93.07044	2.5
95.08604	3.4
97.10165	3.3
98.22813	1.5
107.04952	2.0
107.08599	1.5
109.06459	0.6
109.10143	1.9
111.11703	1.5
121.06486	1.1
121.10165	1.2
123.04367	1.4
123.11704	0.7
125.05957	0.6
135.08084	0.7
135.11684	0.9
137.05965	100.0
138.06297	2.9
139.07500	3.6
151.07520	1.7
160.05191	1.1
161.05962	1.2
163.07541	8.0
164.07921	0.6
167.07028	1.5
175.07523	7.2
177.09077	2.4
179.07016	6.9
189.09105	3.8
191.10625	1.4
191.17888	1.2
193.08618	3.1
203.10657	11.4
204.10928	0.6
205.12260	5.3
217.12236	7.9
219.13785	1.9
231.13707	3.1
245.11725	2.5
245.15497	0.6
247.13295	1.1
259.13297	1.9
259.16934	0.5
290.57303	0.5
329.24719	40.7
330.25110	3.4
337.09695	0.5
347.25812	28.9
348.26111	1.9
357.20480	0.5
371.25803	6.1
389.26794	5.5
406.29648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33416	0.6
55.05512	1.4
61.48505	0.6
63.02994	0.6
67.05493	2.9
69.07062	1.8
71.04989	1.1
71.09805	0.9
79.05479	1.2
81.07047	4.5
83.08643	1.5
91.05486	1.1
95.08587	5.2
98.23177	1.0
99.37412	0.6
106.13663	0.7
109.06507	2.2
109.10139	2.1
114.25680	0.6
123.11687	0.9
125.05965	1.5
137.05974	100.0
138.06316	3.1
151.01909	0.6
151.07536	1.0
161.09547	0.9
163.07556	2.5
177.09106	3.1
222.25862	0.7
265.17978	1.3
329.24783	3.0
347.25800	56.1
348.26132	5.9
359.14679	0.7
389.26843	2.9
406.27225	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1105
Annotation	Hoslundin
Peak:m/z	Relative Intensity
56.96565	4.6
69.07066	5.4
69.77544	10.6
79.05498	3.6
81.07037	4.1
93.07040	3.9
116.10775	3.9
119.08549	4.2
211.85745	4.3
235.45801	5.1
237.02803	5.8
245.11578	12.2
404.93579	3.7
406.25833	6.7
407.11151	100.0
407.16412	11.2
407.21255	22.5
408.11545	6.2
408.27145	4.4
432.63507	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60737	0.3
69.11853	2.4
69.19334	0.3
70.74583	0.4
71.04986	1.2
85.02879	0.4
109.06567	0.4
121.02875	3.8
122.03203	2.7
122.39637	0.4
137.06027	0.6
139.07509	0.9
140.07892	0.4
158.76477	0.4
185.04247	0.4
191.10464	0.4
193.16119	0.4
203.05272	0.7
209.11719	3.3
210.12048	3.2
213.07565	0.8
213.71700	0.4
214.07990	1.1
245.07843	4.5
271.74643	0.4
363.10477	0.5
371.16730	1.1
407.13504	100.0
408.13806	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	407.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45501	0.9
55.85163	1.0
57.03387	1.0
58.48929	1.0
59.53513	0.9
66.46486	1.0
67.05507	1.4
69.03433	2.6
81.07050	3.0
85.02888	4.8
91.05477	1.1
93.07019	1.2
95.08614	1.9
97.02891	2.8
100.33609	1.2
109.02874	1.2
123.11723	2.8
124.12074	1.8
127.03904	2.5
150.07211	1.0
161.02094	1.4
161.13181	1.1
185.04288	2.3
210.50996	1.0
244.17036	1.0
245.07884	22.5
269.09973	27.4
270.09985	1.3
287.11011	100.0
288.11267	4.2
305.08771	1.2
363.14108	10.0
402.93878	1.1
406.25845	1.7
407.13010	80.2
408.13391	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
69.03418	0.3
69.07065	0.2
70.53796	0.2
71.04984	0.7
78.03442	0.2
79.05517	0.3
81.03423	0.2
81.07053	0.5
83.04988	0.4
84.51775	0.2
85.02910	0.6
93.07025	0.2
95.04958	0.3
95.08604	0.3
97.02889	0.2
97.10172	0.2
98.81208	0.2
106.02915	0.8
107.08612	0.7
109.02876	0.6
109.10184	0.2
111.08089	0.2
119.04942	0.4
121.02866	4.7
121.10191	0.3
122.03201	2.9
122.10421	0.2
124.03960	1.5
133.10153	0.4
134.10495	0.5
137.06049	0.3
137.13315	0.2
139.07544	0.4
140.04333	0.3
140.07910	0.2
141.05441	0.2
147.04427	1.3
191.10555	0.3
193.12395	0.2
196.06911	0.2
203.05240	1.7
209.11638	2.5
209.15494	0.3
210.12134	2.2
210.15742	0.3
213.07671	0.6
214.07930	0.7
227.07927	0.3
245.05418	0.2
245.07744	0.3
245.09163	0.8
250.07129	0.6
268.08258	0.6
308.10510	0.2
327.14209	0.7
371.16797	5.3
372.17584	0.4
407.14343	100.0
408.14697	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	407.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42295	0.3
69.33024	1.6
78.85812	0.3
80.37267	0.3
84.31377	0.4
99.06982	0.3
104.87372	0.3
106.72381	0.3
147.28372	0.3
170.07225	0.3
185.04224	0.7
197.08115	0.3
245.11537	2.7
276.15900	0.3
378.74918	0.3
407.16733	100.0
408.17087	7.8
424.78241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19051	0.5
67.15061	0.5
71.50830	0.5
72.86161	0.4
75.32629	0.4
95.08606	0.7
111.69209	0.5
126.88776	0.4
147.61261	0.4
185.04219	1.4
191.10475	0.6
191.17967	1.0
243.08432	0.5
245.11488	1.6
407.16696	100.0
408.17096	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	407.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50204	0.5
70.02901	1.3
70.03267	0.7
73.42533	0.6
75.00275	0.6
79.05511	0.5
81.07011	0.8
173.73360	0.5
185.04214	1.2
245.11433	2.7
278.83832	0.6
370.85272	0.6
407.16534	100.0
407.76047	0.8
408.16858	6.9
408.21347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1678
Annotation	Cys Glu Arg
Peak:m/z	Relative Intensity
66.77261	1.2
70.69187	1.7
72.49116	1.1
79.05556	1.3
80.99056	1.2
114.06970	1.1
116.27795	1.2
123.11724	1.5
171.00645	1.5
185.04317	1.9
201.03749	2.0
203.05257	8.7
205.12404	4.7
245.07822	36.0
246.08345	1.5
407.17001	100.0
408.17325	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	407.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92117	1.0
55.01870	2.0
56.43998	1.0
61.02931	5.1
64.95298	1.0
68.99792	7.0
69.03437	1.2
71.01339	0.9
71.08624	2.9
71.42982	1.1
72.70094	0.9
81.03418	1.9
85.02910	4.9
87.00837	5.8
91.05479	2.0
93.07030	1.7
95.04900	1.1
97.02904	2.0
105.07006	2.7
107.04906	1.5
109.02897	3.3
109.06534	1.3
110.03641	1.4
115.05490	1.2
116.22397	0.9
116.24801	0.9
117.07005	1.5
121.06514	2.9
123.04444	2.7
125.05997	3.8
126.27960	1.1
128.06236	1.1
129.01855	7.2
129.07010	1.1
131.04942	1.0
131.08519	1.2
133.06477	2.4
135.08014	1.8
137.05963	3.2
138.06752	2.6
141.07011	1.9
144.05659	1.4
145.06499	4.6
147.02896	2.8
147.08054	5.1
148.05205	3.5
149.05975	1.9
149.09605	1.2
151.29584	1.1
153.07100	1.3
158.07254	2.2
159.08104	4.7
160.05182	2.6
161.05949	5.2
162.06805	2.0
163.07542	10.5
169.06564	1.2
171.08040	2.2
172.05093	1.3
174.06766	3.7
175.07539	15.0
176.04655	1.3
176.08133	1.0
177.09227	1.1
186.06819	2.2
187.07571	5.9
189.03947	1.5
190.06339	1.3
191.14268	1.8
197.05907	1.6
200.04710	4.4
201.09015	2.0
205.15823	1.2
207.13741	2.4
214.06320	1.9
215.07024	12.4
215.14165	1.1
217.12332	1.6
218.05855	1.8
219.13766	1.8
221.11665	4.6
229.15884	1.7
231.13797	34.3
232.07332	2.6
232.14282	1.4
233.08113	5.6
233.11777	1.4
233.15327	12.6
245.15404	3.3
247.17184	1.1
257.15353	24.5
258.15631	1.2
259.13315	6.8
261.14850	19.2
262.15253	1.5
275.16428	2.0
285.14825	34.8
286.15164	2.1
303.15897	100.0
304.16321	5.5
321.16812	2.2
407.17206	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	407.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25164	1.7
68.57227	1.6
81.07066	2.0
85.33765	2.1
95.08649	1.9
98.23530	3.2
105.07050	2.6
123.04528	2.5
212.04453	1.9
216.08141	1.8
389.23071	31.9
407.24194	100.0
408.24338	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2279
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.05264	1.8
55.05513	22.3
56.96571	1.7
57.03436	2.0
59.05002	2.2
63.19961	1.3
67.05508	3.1
69.03416	4.4
69.07059	3.4
70.78139	1.8
71.04979	1.9
79.05469	2.0
79.73464	1.3
81.07059	6.1
83.04972	9.6
83.08620	18.8
85.02907	10.0
85.06561	2.3
89.50952	1.2
91.05474	3.2
93.07056	8.5
95.04975	13.7
95.08590	6.5
97.02872	2.2
97.06530	3.8
97.10154	2.4
98.22811	1.4
98.97591	4.7
99.04433	5.6
105.07033	4.7
107.08601	9.7
109.02841	1.5
109.06513	4.0
109.10148	7.7
111.08064	4.4
112.08114	1.2
116.98683	1.6
119.08596	1.7
121.06482	2.2
121.10151	21.1
123.04425	2.6
123.11745	3.0
125.09634	3.2
127.03913	1.8
130.83070	1.3
133.10132	5.3
135.08041	1.4
135.11649	1.7
137.06009	2.3
139.11182	30.6
142.06517	2.1
147.11728	2.1
149.05952	2.8
149.13251	1.7
150.06288	1.4
151.11191	21.6
153.09055	7.0
158.10880	1.6
161.24036	1.5
163.14813	5.5
167.07045	100.0
167.14333	20.6
168.07361	2.0
173.13257	4.6
177.05460	1.6
178.05824	2.6
181.08583	1.9
191.14336	6.9
193.08618	5.0
209.08057	2.6
209.15366	94.5
210.08415	3.7
210.15761	8.9
211.09688	15.8
227.09129	6.1
227.16374	4.3
228.07265	1.3
228.09468	6.0
228.16664	1.6
229.10754	11.6
237.02760	1.8
245.18510	1.7
249.15744	2.2
263.42297	1.4
293.09048	2.8
312.16095	1.1
373.25082	1.4
407.07547	2.2
407.12735	10.9
408.13065	2.2
414.87274	1.3
418.95670	1.3
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
56.96594	0.4
57.07074	0.7
62.98480	0.4
69.28600	1.4
69.29008	0.8
70.06588	2.2
76.78534	0.4
88.07627	1.1
113.80115	0.4
148.43120	0.4
210.16849	0.4
256.26312	1.4
257.26651	0.9
295.15250	1.0
300.29031	1.3
301.29324	1.8
309.16617	2.0
315.20084	0.4
325.95947	0.4
344.31787	0.5
345.31854	0.8
406.35226	5.6
407.24026	100.0
407.35287	8.5
408.24344	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	407.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71863	1.2
57.07071	1.8
67.05503	1.3
70.06599	3.7
81.07061	1.8
86.09729	1.4
88.07624	1.4
94.27500	1.5
115.63697	1.4
121.06481	1.2
121.08372	1.1
132.10190	1.6
299.11365	1.1
300.29056	2.5
301.29312	5.0
301.49222	1.3
309.16718	4.4
406.34940	5.6
407.24054	100.0
407.35428	14.6
408.24341	10.3
408.36203	1.4
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
55.28609	0.5
67.11834	0.5
79.80628	0.5
87.58713	0.5
89.30429	0.4
89.38776	0.5
95.08594	0.7
95.80862	0.5
98.22972	0.5
109.05047	0.6
129.40953	0.6
138.49063	0.5
141.90428	0.5
164.90826	0.7
362.30258	0.5
374.26508	1.2
390.25955	1.4
407.24017	100.0
408.24420	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35320	0.5
62.98251	1.6
68.65866	0.5
69.60630	1.2
70.99284	0.6
73.28478	0.5
81.07056	0.6
93.07055	0.5
95.08612	0.7
98.23380	1.2
102.80875	0.5
107.08538	0.6
107.75800	0.6
151.00261	0.6
156.36241	0.6
256.14560	0.6
256.76913	0.5
280.38345	0.6
303.72662	0.5
307.15213	1.1
384.59424	0.6
389.22961	32.8
390.23358	2.9
406.37875	0.8
407.24039	100.0
408.24286	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35320	0.5
62.98251	1.6
68.65866	0.5
69.60630	1.2
70.99284	0.6
73.28478	0.5
81.07056	0.6
93.07055	0.5
95.08612	0.7
98.23380	1.2
102.80875	0.5
107.08538	0.6
107.75800	0.6
151.00261	0.6
156.36241	0.6
256.14560	0.6
256.76913	0.5
280.38345	0.6
303.72662	0.5
307.15213	1.1
384.59424	0.6
389.22961	32.8
390.23358	2.9
406.37875	0.8
407.24039	100.0
408.24286	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	407.243
Annotation	Strophanthidol
Peak:m/z	Relative Intensity
55.01619	1.0
55.01870	13.9
55.05503	2.8
57.03416	1.2
57.07058	0.5
58.38212	0.4
61.30436	0.5
64.96014	0.6
65.03928	0.5
67.05160	1.0
67.05503	11.8
67.05859	0.9
69.03408	0.9
69.07059	4.2
69.10886	0.5
69.43440	1.9
71.04991	0.8
75.41623	0.5
79.05494	8.1
80.17723	0.5
81.07056	16.3
83.04967	2.2
83.08607	1.2
85.06548	0.7
91.05478	8.7
93.07049	4.7
95.04932	2.5
95.08601	7.7
96.05743	1.2
96.08887	0.5
97.06524	13.4
99.08022	0.5
105.07027	4.2
107.04955	1.8
107.08586	3.4
109.06502	4.8
109.10155	4.6
111.08060	2.6
117.07025	1.0
119.04961	0.6
119.08563	5.1
121.06502	2.2
121.10143	1.5
122.10191	0.5
123.04406	1.5
123.08070	1.5
123.11722	0.8
124.05206	3.4
125.06011	2.9
125.09612	1.6
129.06976	1.3
131.08574	1.6
133.06456	1.0
133.10117	5.5
135.04448	0.9
135.08061	1.3
135.11685	0.6
137.05975	20.8
137.13234	0.6
139.07532	51.6
140.07841	1.7
145.06493	1.3
145.10170	0.8
147.08018	1.8
147.11667	0.9
148.64032	0.5
149.06026	0.6
149.13243	1.8
151.03825	0.7
151.07538	4.3
151.11148	0.6
152.04689	1.0
153.05457	13.6
155.07016	1.8
159.07986	0.7
161.05980	3.9
161.09627	0.9
163.07578	2.6
163.14795	0.7
165.05379	0.9
165.16330	0.9
167.07031	100.0
167.22142	0.6
168.07384	3.5
173.09584	0.9
175.07538	3.6
175.11313	0.6
175.14807	4.7
177.05447	1.8
177.09134	2.8
179.07016	3.2
179.14273	0.8
181.08580	1.2
183.06552	6.1
185.09639	2.3
187.07529	2.1
188.08479	0.5
189.09077	1.5
189.12675	0.8
191.06955	1.1
191.10654	3.2
191.14211	0.5
193.08574	10.2
193.15845	4.2
195.07953	0.6
199.11189	1.1
201.09097	7.7
202.09740	1.3
203.10594	3.7
205.12244	1.4
207.10165	4.6
215.10599	2.5
217.08632	1.8
217.12213	4.4
219.10124	1.4
221.11676	0.7
227.10672	2.6
229.12225	1.1
231.10242	0.6
233.11710	10.9
234.12114	0.9
235.13225	1.6
241.12216	1.9
245.11707	2.6
246.12509	0.6
247.13211	1.8
249.14760	0.8
259.13223	1.6
263.12537	0.7
277.14240	1.3
279.17572	0.6
281.13928	0.7
283.20480	0.6
297.18445	2.7
311.19809	2.7
315.19492	4.7
329.21075	4.4
333.20596	6.4
347.22134	18.2
348.22421	1.9
350.80606	0.5
351.11276	0.5
377.61060	0.6
389.23260	4.6
407.33362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2541
Annotation	Cyrmenin A
Peak:m/z	Relative Intensity
55.05512	16.0
56.05024	8.3
57.07079	10.5
58.02946	5.2
58.06607	11.2
67.05498	18.4
69.07067	7.7
70.06593	100.0
71.08631	5.7
72.23330	2.4
79.05489	5.0
81.07039	6.4
82.06584	11.9
83.01324	2.2
83.07363	3.5
84.08143	3.9
85.10169	6.5
89.06042	16.8
91.05472	7.1
93.07032	6.8
94.06561	4.2
95.04960	3.9
95.08607	38.0
96.08129	17.1
98.06068	2.2
105.07004	3.1
108.08109	3.3
110.06068	2.6
110.09666	4.9
112.11241	54.8
120.28939	2.3
121.10114	2.1
124.11231	2.7
133.08574	7.6
134.06023	2.9
137.05966	10.5
138.06726	7.1
138.12810	3.8
140.10681	17.3
141.84085	2.1
153.05496	5.3
160.07664	2.2
163.07527	4.9
175.07518	4.4
176.07014	2.8
176.08379	2.6
177.09059	15.3
183.06526	2.1
184.11250	2.2
191.10741	2.0
193.08710	2.9
203.10493	2.2
304.19125	14.4
321.18091	66.9
322.18427	3.1
322.36942	2.1
330.24509	2.5
347.25845	4.0
350.23309	2.3
361.26010	16.9
407.25372	47.1
408.25708	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	407.2794
Annotation	Ardisianone
Peak:m/z	Relative Intensity
55.05498	4.6
57.07061	4.8
65.15682	1.7
67.05511	9.6
69.07064	7.7
69.30387	1.6
70.53304	2.7
71.08615	3.6
71.56357	1.6
72.08154	4.0
79.05486	5.3
81.07042	12.4
83.08627	3.7
89.06016	7.5
91.05483	4.7
93.07001	2.0
95.08589	9.2
97.10190	2.9
105.07000	2.8
107.04939	11.9
107.08575	2.1
109.10155	3.9
110.03667	4.2
111.11702	1.9
111.27180	1.5
119.04946	5.9
123.04417	3.3
125.05978	25.9
133.06493	5.3
133.08559	5.0
137.05978	7.1
147.04384	10.7
149.05980	5.1
151.07520	3.7
153.05466	100.0
153.40471	1.9
154.06154	2.4
161.05975	17.9
163.07558	8.3
166.06277	5.6
167.07054	5.2
173.09596	1.9
175.07562	2.4
177.09134	7.2
179.07007	29.6
181.08571	5.9
189.09091	2.3
191.06982	3.4
193.08611	41.3
194.08949	2.6
195.06506	5.1
200.43976	1.6
205.08577	3.5
207.10196	3.1
221.08102	11.3
229.46823	2.1
235.09604	25.1
236.09966	2.2
238.19965	1.6
329.24646	2.0
330.32956	1.9
331.26233	2.3
345.24228	5.7
347.25775	6.8
348.26035	2.5
357.20340	2.6
389.26782	6.6
407.28549	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	407.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88888	0.7
55.05505	3.4
57.06866	0.8
57.07082	9.6
65.03924	0.8
67.05506	1.3
69.07071	21.2
69.17178	3.5
69.17587	1.9
71.08628	12.9
81.07033	1.6
83.08620	1.0
88.64165	0.8
89.06031	3.0
95.08602	1.0
111.11733	5.9
113.00042	0.8
113.13267	1.5
121.02884	4.2
125.05953	1.5
129.12750	3.4
133.08586	1.8
137.05934	1.2
149.02342	100.0
150.02725	1.9
167.03400	9.3
189.71129	0.9
190.05023	1.1
197.03885	0.7
202.70210	0.9
311.42535	0.7
349.27377	7.8
365.10440	1.0
391.28891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.5
51.02373	0.8
53.03950	2.2
55.01871	0.9
57.03431	1.2
61.02937	0.4
65.03933	0.4
67.05514	0.6
69.03440	5.9
69.07059	0.7
69.48201	0.3
69.94370	0.9
69.94686	0.4
70.06618	0.4
71.04996	1.2
73.02922	0.9
78.03458	13.0
79.04230	0.6
79.05495	0.7
80.05011	2.9
81.03419	15.6
81.07069	0.9
83.04961	0.5
85.02902	7.1
86.06059	1.0
87.04485	0.4
91.05474	1.2
93.07050	0.8
95.04971	0.5
95.08606	0.7
96.04497	3.3
97.02900	4.2
97.82006	0.4
98.06071	1.3
99.04463	2.8
105.07050	1.1
106.02918	53.6
107.03263	1.1
107.08591	1.3
109.02882	45.5
109.06544	0.5
110.03218	1.1
111.04447	1.3
119.08572	0.8
121.10095	0.5
124.03954	100.0
125.04314	2.3
125.09632	1.2
127.03909	6.3
127.04768	0.7
131.08562	1.2
133.10191	1.2
139.03871	1.2
141.05467	15.1
145.04935	0.8
147.04411	1.1
147.11697	0.7
151.11194	0.9
165.05472	0.4
166.05014	1.4
169.04979	0.7
175.11307	0.5
177.00554	0.4
193.12233	1.1
208.06056	0.5
209.11812	0.5
210.12152	0.5
211.09807	0.5
211.13368	2.7
226.07060	1.0
229.14314	1.1
231.06389	0.5
232.06036	1.0
236.16435	1.1
249.40402	0.5
250.07117	26.9
251.07527	1.1
268.08163	42.7
269.08524	2.2
328.21228	0.6
346.22324	3.2
374.73718	0.4
390.24847	1.0
408.12753	13.0
408.17386	2.3
409.13654	0.7
409.18344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24319	0.4
53.11913	0.3
63.22337	0.4
69.03412	0.9
69.14734	1.4
69.15160	1.2
76.27507	0.4
78.04697	0.5
79.05465	0.8
81.03411	0.5
85.02903	3.5
91.05476	1.0
93.06995	0.5
97.02892	0.8
103.05418	0.5
106.04112	0.7
107.04939	0.6
121.06525	1.1
123.04425	1.6
124.05183	0.8
132.26855	0.4
133.06462	0.7
137.06017	0.4
145.04947	0.5
147.04433	0.5
149.05954	1.9
151.03848	0.5
152.04739	0.6
161.05986	0.8
166.06001	0.4
167.07028	100.0
168.07368	2.5
179.06975	0.5
181.08612	2.7
192.19717	0.4
193.08565	3.2
210.08437	0.5
211.09668	16.7
212.10155	0.6
227.09157	0.6
228.09471	0.7
229.10724	14.0
230.10951	0.6
234.99159	0.5
327.12201	0.5
361.57864	0.4
375.30814	0.4
408.13586	0.6
409.11041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72435	0.3
61.88924	0.2
66.44444	0.3
66.92426	0.3
69.03421	0.6
70.06581	0.5
70.59053	0.3
73.02887	0.3
79.05486	0.3
81.03386	0.4
82.49029	0.2
85.02901	2.5
89.16143	0.3
92.10472	0.2
97.02881	0.6
98.30455	0.2
98.97583	0.4
99.04453	0.3
105.07048	0.4
106.04170	0.5
107.04945	0.8
108.59129	0.3
110.50000	0.3
116.07048	0.7
121.06480	0.5
123.04449	1.9
124.05219	0.7
133.06462	0.7
149.05940	0.7
151.03960	0.4
152.04684	0.8
161.05965	0.6
167.07030	100.0
168.07384	3.0
179.06972	0.3
181.08560	0.9
193.08578	4.0
205.57727	0.3
211.09647	18.6
212.10014	0.4
229.07133	0.4
229.10710	2.3
246.04907	0.4
409.10855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.9
53.03942	2.4
55.01868	2.8
55.05505	2.6
57.03431	2.2
60.66352	1.0
67.05502	8.7
69.03435	9.1
69.07064	10.9
69.12273	7.5
71.04999	17.5
73.02917	2.1
73.36254	1.0
78.03450	13.8
79.05485	9.9
80.04989	2.2
81.03413	15.4
81.07051	7.8
83.04985	4.5
85.02897	15.1
85.06536	1.7
91.05476	23.8
93.07038	6.4
95.04967	8.9
95.08604	4.1
96.04498	6.6
97.02902	7.2
97.06521	10.3
98.23565	2.3
99.04460	4.6
99.08074	1.7
105.07021	19.0
106.02914	54.6
107.03227	1.7
107.08590	4.6
109.02874	38.3
109.06508	4.3
111.04414	4.6
111.08082	1.4
113.06008	4.6
119.04886	1.0
119.08588	12.0
121.10149	2.9
123.04415	6.2
124.03950	100.0
125.04308	3.4
125.09625	3.2
127.03927	7.8
129.06985	7.4
131.08580	15.0
133.06483	1.3
133.10124	60.8
134.10487	2.0
137.05956	4.7
139.03926	2.1
141.05449	15.6
142.07788	1.4
145.04964	2.6
145.10136	1.6
147.08044	3.9
147.11678	20.9
149.09547	2.3
151.07509	3.1
151.11159	4.2
157.10115	14.0
165.12762	3.1
166.04965	1.5
175.09662	2.0
175.11180	38.0
176.11526	1.9
193.12242	46.0
211.13292	88.6
212.13620	3.7
226.07256	1.4
226.44800	1.3
229.14337	35.3
229.16614	1.7
230.14777	1.2
232.06203	1.9
250.07094	26.1
251.07240	1.4
268.08127	34.1
269.08475	1.7
375.82083	1.3
408.12784	16.1
409.14160	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	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03275	0.7
53.03942	1.0
55.01866	1.5
55.05501	1.3
57.07080	1.3
61.02943	1.2
67.05498	2.8
69.03419	2.1
69.07064	7.5
69.80491	1.8
69.80818	0.9
71.04971	1.3
78.04622	0.7
79.05484	3.2
81.03397	1.1
81.07068	6.8
83.04980	2.2
83.48461	0.7
85.02912	6.5
85.06532	2.0
91.05473	7.3
93.07045	8.1
95.04955	3.3
95.08595	1.4
96.99184	0.8
97.02891	2.1
97.06506	1.1
99.04461	0.7
105.07036	9.7
107.08582	4.0
109.02857	1.2
109.06528	9.1
109.10136	1.4
113.06019	1.0
119.08566	3.2
121.10123	2.2
123.11713	1.4
125.06018	1.0
127.03902	2.1
127.07525	0.7
131.08575	3.0
133.10127	55.8
134.10434	1.3
137.05962	4.3
139.03882	6.9
140.04265	4.8
145.04958	1.1
147.04355	0.9
147.11687	12.0
149.09630	1.7
151.07526	2.8
151.11183	39.3
151.12421	2.0
152.11472	1.2
154.81258	0.8
155.07034	10.1
165.12727	2.8
175.11198	6.9
193.12245	29.2
194.12614	0.9
211.13287	100.0
212.13628	4.9
229.14351	25.9
230.14690	1.1
239.08026	1.0
243.07613	1.0
247.13223	1.0
261.08630	1.0
271.07132	1.0
285.08963	1.3
289.08231	1.2
290.07416	0.9
313.08041	2.1
331.09216	3.3
349.10175	2.0
391.11197	1.0
408.24026	1.5
409.12241	3.3
409.18307	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.7
59.04982	1.8
67.05507	5.7
69.03432	2.5
69.07080	9.9
69.35363	7.5
71.04992	6.0
79.05496	3.2
81.07069	10.9
83.08625	6.5
84.24343	1.7
85.02903	6.3
91.05498	3.7
93.07024	13.1
95.04963	2.6
95.08607	24.8
97.06543	11.2
98.23534	2.8
99.04439	4.9
105.06327	1.8
105.07022	6.0
107.08611	15.5
109.06512	8.4
109.10155	20.2
111.08058	3.5
111.11716	3.3
115.07561	9.0
119.08601	18.8
120.04461	2.8
121.10206	8.2
123.08076	4.9
123.11716	10.1
125.09739	1.9
127.11197	1.9
133.10126	25.9
135.11703	24.7
135.19455	2.2
137.09637	6.6
147.11694	3.4
149.13225	12.8
153.12712	3.4
163.14938	2.2
167.14252	3.2
175.14818	50.3
177.16431	4.7
193.14096	3.1
193.15871	54.5
211.13588	4.0
211.16937	100.0
212.17300	4.7
229.17999	5.8
244.92853	1.7
323.60190	1.6
332.94653	1.8
409.18781	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	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
56.96574	1.4
57.03423	1.2
57.07067	1.4
59.04990	1.8
67.05512	5.6
69.07068	12.5
69.35034	7.2
71.05001	6.4
79.05473	2.5
81.03431	1.5
81.07066	10.5
81.45034	1.5
83.08627	5.7
85.02912	5.7
85.06544	2.5
91.05477	3.8
93.07036	10.5
95.04993	2.4
95.08614	16.8
97.02921	2.0
97.06515	9.1
99.04457	4.1
99.08075	1.7
105.07041	5.8
107.08585	13.0
109.06520	6.4
109.10158	22.3
111.11729	1.8
115.07552	3.5
119.08564	15.3
121.10139	10.1
123.04471	2.0
123.08084	3.9
123.11691	12.6
125.09652	4.2
127.11194	2.8
133.10127	33.1
135.11687	23.6
137.09607	5.2
147.11702	3.5
149.13243	11.5
151.11139	2.1
153.12744	2.6
175.14821	38.8
177.16374	2.7
193.15884	41.2
194.16272	1.9
211.13397	5.1
211.16946	100.0
212.17287	4.8
229.14307	3.0
239.06026	1.9
247.09471	2.3
255.08858	1.7
299.08038	1.8
312.96426	1.6
408.13422	2.9
409.18781	11.6
409.23520	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	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.7
59.04982	1.8
67.05507	5.7
69.03432	2.5
69.07080	9.9
69.35363	7.5
71.04992	6.0
79.05496	3.2
81.07069	10.9
83.08625	6.5
84.24343	1.7
85.02903	6.3
91.05498	3.7
93.07024	13.1
95.04963	2.6
95.08607	24.8
97.06543	11.2
98.23534	2.8
99.04439	4.9
105.06327	1.8
105.07022	6.0
107.08611	15.5
109.06512	8.4
109.10155	20.2
111.08058	3.5
111.11716	3.3
115.07561	9.0
119.08601	18.8
120.04461	2.8
121.10206	8.2
123.08076	4.9
123.11716	10.1
125.09739	1.9
127.11197	1.9
133.10126	25.9
135.11703	24.7
135.19455	2.2
137.09637	6.6
147.11694	3.4
149.13225	12.8
153.12712	3.4
163.14938	2.2
167.14252	3.2
175.14818	50.3
177.16431	4.7
193.14096	3.1
193.15871	54.5
211.13588	4.0
211.16937	100.0
212.17300	4.7
229.17999	5.8
244.92853	1.7
323.60190	1.6
332.94653	1.8
409.18781	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	408.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.1
69.35771	8.9
81.07051	1.7
104.10677	1.8
109.05039	8.1
122.05814	3.6
164.10541	2.9
178.12033	2.5
207.15924	3.8
234.14731	11.9
246.18431	4.4
252.15703	3.2
290.17294	3.9
292.18848	11.3
346.27206	13.4
362.26746	3.4
374.26703	100.0
375.26974	12.6
390.26163	50.9
391.26358	4.7
391.31076	1.7
395.88626	1.8
407.76944	1.6
408.24240	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	408.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19902	0.5
53.19150	0.5
55.01866	0.9
55.05508	7.2
57.07080	3.2
65.03945	1.1
67.05504	20.1
69.03417	0.9
69.07062	6.6
69.60249	2.0
71.04972	0.6
79.05486	7.0
81.07056	19.4
83.01344	1.5
83.08615	4.2
85.06539	0.7
91.05476	5.1
93.07043	5.2
95.04964	1.6
95.08018	1.2
95.08602	17.1
97.10182	5.3
98.22717	0.8
99.07988	0.5
100.20261	0.5
105.03351	0.7
105.07029	2.3
107.04964	1.5
107.08562	2.7
109.06499	5.1
109.10159	10.4
110.10496	0.6
111.08079	1.3
115.05440	0.5
117.07018	2.0
119.04905	0.6
119.08604	1.7
121.06502	2.3
121.10142	3.3
121.10859	0.6
123.04451	0.8
123.11702	4.9
123.44057	0.6
124.05228	2.8
125.05994	1.9
128.06181	0.7
129.07013	4.0
131.08575	2.5
133.06471	1.2
133.10159	0.9
135.04401	0.9
135.08090	1.2
135.11653	1.1
137.05978	17.3
137.13234	1.6
139.03906	1.6
139.07542	30.5
140.04663	5.0
140.07869	0.6
141.06972	0.9
143.08557	1.1
145.06474	2.3
145.10092	1.9
146.07265	0.6
147.08051	3.5
147.11710	0.7
149.13205	0.7
151.07549	9.9
152.04703	2.8
153.05460	14.5
155.07042	11.6
155.08385	1.2
157.06490	1.0
157.10112	1.3
158.07283	1.4
159.08022	3.3
159.11609	0.8
161.05957	3.7
161.09581	3.1
163.07545	2.4
163.11241	0.7
165.05467	0.8
167.07034	61.8
168.04187	9.8
168.07346	1.9
169.04942	0.8
169.10121	2.0
171.07999	1.0
173.06020	1.5
173.09662	3.2
174.06738	1.7
175.07542	6.1
175.11205	1.2
177.05522	2.7
177.09119	4.0
177.16365	3.5
179.07027	2.0
179.17953	3.5
181.08571	1.1
183.06525	100.0
184.06894	3.4
185.09619	1.8
187.07547	1.6
187.11194	2.3
189.09140	5.3
189.12720	0.8
191.07030	3.7
191.10666	2.2
192.07803	1.0
193.08582	7.3
195.06505	1.1
197.09697	0.9
199.11168	0.7
201.09093	9.1
201.12708	0.8
203.10648	3.4
205.08618	5.3
205.12263	1.4
207.06563	0.8
207.10161	18.8
209.08124	0.6
213.07484	3.2
214.09891	0.7
215.10681	5.7
217.08687	1.0
217.12236	3.6
219.10150	4.0
219.13695	0.6
221.11699	2.6
221.19023	1.7
225.07574	15.8
226.08055	0.7
227.14404	0.6
228.11491	0.8
229.12250	5.0
230.12700	0.7
231.13815	1.9
233.11697	5.5
235.13286	9.2
243.13788	2.5
247.13193	2.0
249.14903	3.8
253.19485	1.5
261.14969	1.2
263.16290	1.0
271.20551	2.2
281.18948	1.3
285.18924	0.6
285.22089	2.6
295.15292	0.9
299.20062	9.7
300.20471	0.8
303.23166	5.5
313.21603	13.0
314.21851	1.0
317.21075	2.2
331.22665	56.4
332.22946	3.9
341.21088	0.8
343.33334	0.5
359.22147	0.9
362.29129	0.6
373.23575	1.7
391.24899	0.7
408.21939	1.9
409.23532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	7.1
57.07071	4.9
67.05504	1.8
68.99782	1.8
69.07078	9.4
69.18050	6.4
69.18461	2.2
71.08623	3.6
72.21311	1.1
73.02905	4.1
79.05492	1.5
81.07050	4.1
83.08606	3.7
89.06011	3.5
90.43951	1.2
95.08604	2.8
97.10204	2.0
98.23451	2.0
107.04915	1.7
111.04449	10.0
116.18112	1.4
117.07027	1.8
119.08640	1.4
121.06516	2.3
123.04440	21.5
131.08545	1.6
133.00990	1.2
133.08632	1.7
135.08073	4.2
137.05940	1.5
139.03908	100.0
140.04265	2.9
145.06465	2.6
147.08043	1.4
147.74896	1.2
148.05151	1.5
149.05986	36.1
153.05496	2.3
163.07556	71.4
164.07835	2.1
173.09627	1.6
177.09100	3.8
181.04968	7.1
191.10654	2.1
195.12338	2.3
223.05931	1.6
247.20667	1.8
271.20584	7.9
289.21622	71.4
290.21826	6.2
307.22665	32.2
308.22842	2.5
336.73740	1.3
349.23758	31.2
350.23889	2.1
408.27490	4.0
410.51563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.3
57.07067	3.3
60.04517	1.5
62.98249	4.2
67.05493	2.8
68.99770	2.4
69.07076	7.1
71.21201	1.6
79.05488	1.8
80.92782	1.4
81.07044	3.8
81.58839	1.6
83.08624	4.3
85.74751	1.3
89.04176	1.3
91.05490	1.7
95.08607	4.3
95.56525	1.4
97.10210	2.1
97.11105	1.3
98.02699	1.5
107.04950	4.7
109.10167	1.7
111.04427	11.0
117.06982	2.3
121.06519	3.6
123.04437	28.2
135.08038	6.1
137.05989	2.7
139.03902	100.0
140.04247	1.9
145.10161	2.6
149.04846	2.6
149.05981	35.1
153.05438	2.0
163.07541	87.5
164.07883	3.6
165.05484	1.7
167.59451	1.2
173.09651	3.3
175.07463	1.4
175.11176	2.0
177.09103	7.4
179.07039	2.5
181.04942	2.5
187.11224	2.7
190.65894	1.5
191.10667	1.7
197.01761	2.0
247.20546	2.3
253.19519	1.6
257.24127	1.4
271.20551	15.6
289.21609	63.5
290.22034	5.2
307.22672	27.1
308.23041	2.2
331.22855	6.4
338.08102	1.3
349.23718	46.0
350.23962	3.4
373.23825	8.6
379.21780	1.4
390.76736	1.4
408.27145	3.2
409.23145	8.1
425.56412	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90639	1.0
55.01886	1.1
55.05519	5.7
57.07078	2.2
62.83206	0.8
63.66930	0.9
67.05504	10.0
69.07066	6.7
69.50428	4.8
71.08632	29.5
72.70605	1.1
80.83048	1.0
81.07060	13.5
83.08195	1.1
83.08607	6.4
85.06551	1.5
91.05481	2.3
93.07053	3.9
95.08599	12.3
97.10164	7.2
98.22864	2.3
98.23398	1.4
99.08092	31.5
99.08723	1.9
105.07029	2.1
107.04965	1.4
107.08604	3.1
109.10164	13.0
111.08109	2.8
111.11681	1.2
117.40668	1.0
119.08580	3.6
121.06542	1.1
121.10170	1.3
123.04433	13.2
123.05287	1.5
123.11722	7.1
125.05975	7.2
127.11209	2.1
133.10123	2.9
137.06000	9.8
137.09521	1.1
138.06334	3.7
148.39629	1.0
149.05981	10.5
151.11281	1.1
161.06033	2.7
163.07541	6.8
165.16414	1.3
167.06993	3.1
173.05899	1.7
175.07524	1.9
177.09123	2.2
179.17976	3.0
181.15468	1.2
189.16370	6.0
191.07124	1.5
197.19048	2.4
201.09045	1.5
207.17461	1.7
215.10719	1.6
225.18483	2.3
243.19586	3.5
252.79596	1.1
313.21701	2.0
348.26099	5.7
349.23718	100.0
349.27039	3.9
350.23993	9.1
373.23749	71.4
374.23999	7.5
381.59204	1.0
391.24872	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.7
57.07054	5.3
60.38470	3.9
67.05498	5.2
69.07066	7.8
70.33846	3.7
70.34200	8.1
70.89263	3.4
79.50864	3.5
80.94862	9.0
81.02803	3.3
81.07049	5.9
83.08624	4.0
89.06026	7.8
95.08595	6.6
133.08611	4.0
137.05972	100.0
151.07449	5.3
163.07510	11.5
177.09090	17.7
219.10152	4.3
321.24246	6.0
331.26279	38.0
349.27393	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	408.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
57.07066	1.0
65.80342	0.6
67.05502	2.8
68.84706	0.6
69.07067	4.1
69.38683	0.6
70.63354	0.7
79.05503	0.7
81.07074	2.7
83.01335	0.8
83.08611	2.2
91.05482	1.2
91.48080	0.6
92.94407	0.7
95.08596	2.5
97.10172	2.3
100.44632	0.6
102.33695	0.6
107.08640	0.5
109.06518	1.7
109.10168	1.1
120.72917	0.6
121.06499	0.6
125.06003	1.1
125.57613	0.6
135.08011	1.2
137.05977	100.0
138.06317	2.0
145.06488	0.6
147.08028	0.9
149.09599	1.5
151.07561	1.1
161.09601	0.9
163.07542	31.0
164.07875	1.2
177.09106	41.2
178.09483	1.3
179.07018	3.3
182.07611	0.5
187.11208	1.0
191.10675	3.0
201.12816	1.5
205.08612	4.7
219.10181	5.2
235.16924	1.1
313.25208	2.1
331.26309	50.7
332.26700	3.7
334.23950	0.6
349.27365	0.6
373.27200	1.0
428.07227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.5
57.06821	0.8
57.07074	10.0
60.04602	0.6
67.05508	3.6
69.07064	3.5
71.08269	0.7
71.08625	7.6
74.31794	0.5
81.07059	4.2
83.01349	0.8
83.08607	2.1
85.10179	4.6
89.05524	0.8
89.06030	8.3
92.41387	0.5
95.08608	6.7
97.10160	1.9
98.23083	3.0
101.37079	0.5
104.90715	0.5
109.10136	3.4
111.11737	0.7
121.06501	4.3
121.69275	0.6
123.11669	1.1
125.05970	2.4
133.08607	2.5
135.07967	0.6
137.05975	24.0
139.07538	12.1
139.99205	0.5
149.06004	1.0
151.07541	1.6
153.05426	1.4
159.71616	0.5
163.07538	12.4
165.09210	0.7
167.06987	2.7
177.09096	6.6
177.10689	0.6
177.11195	0.5
191.10660	1.0
195.12299	6.5
294.12860	0.6
315.50946	0.5
319.70782	0.8
331.22998	0.5
331.26166	3.1
349.27347	100.0
350.27737	7.2
365.93536	0.7
391.28326	2.2
391.34100	2.4
408.31204	1.0
409.29465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43297	9.3
57.07067	10.4
89.06025	55.1
101.57050	9.8
123.04475	12.0
133.08617	35.1
138.39484	9.2
141.05443	14.0
166.73154	9.3
169.04970	56.0
169.63354	11.2
177.11255	11.9
195.12241	100.0
222.06024	10.3
335.25659	50.8
343.10794	10.8
345.24371	16.9
378.37085	11.7
391.33936	12.4
408.21948	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.29109	3.9
67.05490	6.8
68.47057	4.4
69.54149	13.7
71.08645	5.3
73.02924	13.0
80.94875	5.0
81.07071	8.2
87.04464	9.6
89.06042	75.1
91.05486	16.5
93.07042	36.2
95.04963	14.6
95.08607	8.8
98.22720	5.7
99.08092	8.3
103.05460	14.1
105.04531	6.8
114.18813	5.3
119.08573	6.7
121.06512	96.4
131.07047	6.5
133.08575	37.8
137.05974	12.9
139.07582	10.0
143.28351	4.7
147.08110	8.4
154.32048	4.5
155.09940	5.2
163.07535	10.5
165.09137	18.9
167.06981	5.9
177.11201	10.9
209.11845	6.5
273.35477	4.6
331.61374	4.3
331.65814	5.4
363.25317	100.0
364.25641	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	408.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.9
56.75536	6.2
67.05495	18.8
67.69481	6.2
69.51537	14.9
69.51932	14.3
71.08624	13.4
79.05524	7.4
81.07043	14.2
95.08585	20.0
98.23458	6.7
99.08103	10.9
105.19843	6.6
105.24871	6.9
109.10103	8.8
124.41089	7.5
137.05963	40.1
139.07483	7.5
163.07538	17.2
167.07031	11.9
177.09126	12.3
183.06389	13.7
187.50095	7.1
208.59171	6.6
215.10715	8.6
228.40642	6.7
281.08044	10.0
296.10315	10.5
327.23145	30.5
363.25397	64.2
381.35226	7.2
394.21255	17.5
408.22144	13.5
409.23666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55425	2.4
56.96596	2.4
69.26007	13.7
69.27417	2.3
88.63451	2.4
95.88792	2.9
98.97587	7.8
108.80726	2.7
109.02885	5.1
109.10223	3.0
110.46960	2.5
110.97599	3.3
131.19081	2.9
237.02902	4.8
257.04364	4.4
282.70627	3.0
323.08133	8.3
332.83582	2.5
341.09189	5.6
365.09433	7.5
409.08948	100.0
409.14011	9.6
409.18454	11.4
410.09344	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	409.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87157	1.1
75.68359	1.0
75.94305	1.0
129.37991	1.1
156.10075	1.2
167.07085	4.1
168.07373	2.6
185.04131	1.9
204.87006	1.2
246.05029	12.2
247.05794	21.3
276.59009	1.0
409.11023	100.0
410.10501	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	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73724	1.1
69.74042	0.6
75.95247	0.5
92.83136	0.5
111.64145	0.4
130.80547	0.6
142.06499	0.6
143.06845	0.6
160.07663	1.0
161.07977	0.6
166.07368	0.8
185.04324	0.7
232.73860	0.5
245.32840	0.5
246.04979	10.4
247.05763	18.3
248.06152	0.5
294.13519	0.6
409.11133	100.0
410.11383	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	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24275	0.5
113.50578	0.4
179.12114	0.4
181.54807	0.4
189.97998	0.4
246.04991	11.2
247.03236	1.0
247.05782	17.5
248.06331	0.5
253.07707	0.4
267.10126	0.4
409.11041	100.0
410.11331	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.8
58.44469	0.6
60.99165	0.6
62.45029	0.6
67.05494	0.6
76.02238	0.6
78.01788	1.3
78.48756	0.5
79.05484	1.2
81.03424	0.7
81.07048	2.4
82.07381	0.7
84.04520	2.5
85.02907	0.9
85.04813	0.6
87.00845	0.7
91.05483	0.7
95.08575	1.1
98.09718	1.2
98.22679	0.8
102.05542	0.7
105.07008	0.6
107.08612	1.3
109.06496	0.5
110.09671	1.0
112.10931	0.5
115.03814	0.6
118.01251	1.0
120.10267	0.5
120.95377	0.5
122.09648	0.6
123.04433	0.7
124.03937	0.9
125.09644	1.0
130.04979	0.9
134.91763	0.6
135.07939	0.5
137.09605	0.6
146.00729	0.8
149.09610	0.6
156.10229	0.7
159.06407	0.7
162.02138	0.9
164.01712	1.2
165.12839	0.7
175.09731	0.6
177.09348	0.8
181.04462	1.0
185.04208	17.0
185.05875	0.9
193.12280	0.5
203.05197	0.9
213.11104	0.6
217.14481	0.5
219.06866	0.6
219.10188	0.6
247.05774	10.2
260.11359	0.6
261.10574	3.2
262.10968	3.3
312.05698	0.5
391.18494	1.0
409.10999	45.6
409.18259	100.0
410.11731	2.8
410.18594	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	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.7
68.85308	0.4
79.05482	0.4
81.03414	0.6
81.07023	0.8
85.02890	0.7
91.05486	4.7
93.07040	2.8
95.08601	0.7
97.02839	0.6
97.06541	0.7
105.07041	1.0
107.08588	0.9
109.06528	1.8
109.10168	0.7
119.06040	0.7
119.08585	1.4
121.06495	8.3
121.10104	1.2
127.03918	0.6
133.10115	1.4
134.06013	0.5
134.10547	0.5
135.08049	0.5
135.11688	0.7
137.09624	0.7
150.31917	0.5
153.01799	0.5
161.05779	1.1
175.14833	1.4
185.04199	0.5
193.15871	1.8
227.05179	0.6
247.13174	1.2
271.04285	0.8
305.09891	0.5
323.10944	6.3
347.10889	1.1
365.12054	40.7
366.12381	2.3
409.11002	100.0
409.18268	89.1
410.06244	0.6
410.11310	7.0
410.18594	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	409.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41161	5.6
69.41570	3.7
90.67676	2.1
92.91389	1.8
118.26218	1.8
246.59177	2.1
409.12537	87.0
409.18063	100.0
410.12796	7.2
410.18539	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	409.126
Annotation	Unknow
Peak:m/z	Relative Intensity
74.14377	1.6
85.19275	1.5
94.29019	1.3
105.87000	1.5
120.46803	1.3
126.49538	1.6
140.55472	1.6
171.99193	1.4
180.99768	1.4
181.63007	1.5
240.54295	1.7
251.21156	1.5
257.04504	2.2
295.40491	1.4
299.93225	1.7
409.14508	100.0
410.14996	7.1
412.84543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96242	0.4
58.06579	0.6
68.05025	0.5
70.06577	1.3
70.98945	0.7
71.04987	0.7
76.11043	0.4
78.68478	0.5
81.03419	0.4
82.02934	2.7
99.04460	0.6
110.02409	1.0
111.03179	0.7
112.17420	0.6
114.05531	22.8
114.06345	1.1
115.05853	0.5
123.06645	0.8
124.05015	2.3
126.05508	1.0
137.02390	2.3
138.01855	1.8
142.04974	4.0
149.04585	11.4
150.04182	0.7
150.05402	0.6
152.03455	1.2
155.03363	1.6
160.13353	0.5
166.07240	100.0
167.05585	1.1
167.07716	2.2
169.04967	11.9
170.04533	1.4
174.07622	3.8
180.02943	1.4
184.06027	0.7
185.04234	0.6
188.07051	0.5
194.02386	0.4
198.07602	0.8
206.10371	0.8
212.05536	0.8
216.08821	3.3
228.08733	0.6
234.09769	0.6
240.13466	0.6
244.08153	11.1
245.08672	0.8
246.04999	1.7
246.09630	0.5
247.05762	4.2
266.06735	0.7
298.09338	1.1
359.10556	0.5
373.12482	1.3
377.11819	0.6
391.13580	1.8
409.10928	41.0
409.14658	7.1
410.10852	3.5
410.15970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11574	0.3
70.62247	0.7
78.32229	0.3
81.60682	0.3
107.08537	0.5
122.15933	0.4
134.62166	0.3
137.06035	0.5
145.63489	0.4
151.03949	0.9
165.05429	0.4
166.07332	0.4
167.08595	1.2
169.10123	10.6
170.10414	0.5
181.78735	0.3
185.04214	1.9
187.03693	0.7
187.11160	0.5
203.06909	1.4
229.08478	0.6
246.08585	1.0
247.05821	1.5
247.09428	3.0
262.11166	0.5
265.09174	0.4
283.10553	0.5
351.10495	8.2
359.50650	0.4
409.14746	100.0
410.15073	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	409.147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74647	0.5
71.44504	0.8
88.85876	0.7
163.78345	0.7
175.81880	0.6
185.04221	2.5
216.78781	0.6
247.09367	2.7
265.09293	0.9
354.81012	0.7
409.14392	67.5
409.18393	100.0
410.13919	5.6
410.19653	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	409.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.0
70.44048	1.0
89.41804	0.8
107.43106	0.8
109.10136	1.0
143.66589	0.8
185.04185	1.7
201.94197	1.0
214.90755	0.8
247.09410	1.8
257.04483	2.5
353.67932	1.0
409.14478	100.0
409.18475	60.5
410.14209	7.2
410.18842	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	409.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89710	0.3
71.45090	0.3
87.09027	0.3
123.04469	0.5
131.08485	0.4
144.71191	0.3
147.04475	0.3
151.03922	1.4
153.01788	1.7
156.27908	0.3
203.03381	0.4
203.05209	0.5
207.10248	0.3
229.08476	0.4
229.12242	0.5
245.04568	0.4
257.04443	3.9
409.14658	100.0
410.14972	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43286	1.6
56.96553	2.9
66.94648	1.4
67.42638	1.5
69.77684	4.7
91.22577	1.4
98.23449	3.5
98.97579	8.8
99.15952	1.5
107.04950	2.8
116.98591	4.5
121.02866	3.0
137.05925	2.3
219.01671	1.9
229.08557	2.7
230.08896	7.6
237.02800	2.0
257.04562	1.6
260.24768	1.9
265.11044	2.5
307.12021	4.0
334.75046	1.6
373.48544	1.8
409.16089	100.0
410.16577	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11576	0.2
54.30937	0.2
55.06771	0.2
59.44433	0.2
69.85404	0.6
85.06570	0.2
95.08613	0.3
98.23318	0.4
98.97565	0.6
105.07057	0.3
107.08538	0.3
109.10194	0.3
121.02631	0.3
123.08169	0.2
135.08148	0.3
185.04289	0.4
201.03766	0.2
203.05266	1.7
225.02711	0.2
241.75716	0.2
247.13040	1.5
258.48181	0.2
283.07846	2.0
285.09387	0.3
399.47995	0.3
406.67099	0.3
409.18329	100.0
410.18692	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45535	0.6
68.87578	0.5
69.03432	1.3
69.52938	1.1
69.53345	2.1
79.05484	0.6
81.07061	1.2
85.02903	1.9
91.05441	0.7
93.07064	0.9
97.02913	1.2
102.83249	0.6
105.01839	1.0
105.07051	0.6
107.08599	1.0
109.02947	0.6
109.06593	0.6
109.10178	1.8
127.03960	1.2
137.06018	1.9
143.86028	0.6
193.95142	0.6
195.10010	0.6
217.10733	1.1
219.75423	0.6
231.05072	0.8
247.05960	1.5
262.11072	0.7
285.08810	1.3
289.08258	0.8
301.72501	0.7
313.08328	2.0
331.09363	1.1
349.10339	1.1
391.23242	1.5
397.06775	0.6
408.23883	0.9
409.18414	100.0
409.23965	8.0
410.18765	6.2
410.23557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08712	0.2
65.16417	0.3
67.05488	0.4
69.03418	0.7
70.41946	0.4
78.03461	0.3
79.05517	0.3
80.52758	0.2
81.03419	0.4
81.07043	0.4
85.02896	0.5
91.78379	0.3
95.04968	0.3
95.08574	0.4
98.06037	0.3
99.08087	0.2
105.07018	0.3
106.02920	0.8
107.08609	0.4
109.02855	0.9
109.10155	0.5
110.03246	0.5
112.34286	0.3
119.08580	0.3
123.08019	0.3
124.03949	1.6
125.04312	0.7
125.09656	1.5
127.03898	0.4
131.97670	0.3
133.10165	0.3
134.10493	0.2
141.05582	0.2
144.48830	0.3
147.04457	0.5
150.12604	0.3
162.60851	0.2
185.04216	0.4
193.15855	0.4
211.13551	0.3
211.16884	0.6
212.83470	0.2
229.18126	0.6
247.12985	1.3
251.07498	0.6
268.08203	0.4
269.08481	0.8
313.08002	0.6
331.09283	0.3
333.10626	0.3
349.10327	0.4
365.20605	0.3
394.16068	0.4
409.18341	100.0
410.13275	0.3
410.18628	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45725	1.1
80.64347	0.3
86.09751	0.4
91.05493	0.4
91.47240	0.3
98.22617	0.4
98.97820	0.3
110.09669	0.9
111.59360	0.4
125.09641	1.3
210.12025	0.4
211.13284	0.4
211.17014	0.8
232.97490	0.4
247.13084	1.2
279.01715	0.4
353.35352	0.5
386.21561	0.3
397.94131	0.4
409.18353	100.0
410.18628	7.3
421.29330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39924	0.3
55.05520	0.3
67.05487	0.3
70.42545	0.3
71.04952	0.2
85.02904	0.4
98.22771	0.3
107.08590	0.4
107.93938	0.2
109.10114	0.4
125.09611	0.3
133.10164	0.4
135.11722	0.3
170.73650	0.2
213.14832	0.3
225.26147	0.3
229.14474	0.2
247.09288	0.3
249.11230	0.4
250.11600	0.7
308.05621	0.2
321.15051	0.3
409.18347	100.0
410.18704	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19576	1.1
69.19988	0.8
83.67910	0.4
85.83921	0.3
98.22663	0.7
101.72924	0.3
115.53107	0.4
172.34740	0.3
184.39757	0.3
185.04161	1.1
195.11723	0.8
213.12787	0.8
229.12460	0.4
247.12973	0.6
286.06161	0.3
375.18060	0.4
379.94412	0.4
409.18304	100.0
410.18771	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72711	0.4
57.14985	0.4
60.37549	0.3
70.07368	0.4
71.64343	0.3
79.05489	0.5
81.07063	0.6
91.05497	0.5
93.07066	0.7
95.08580	0.8
105.07038	0.6
107.08577	0.5
119.08577	0.8
121.10135	0.5
127.00028	1.3
142.08672	0.5
145.10045	0.5
165.59654	0.4
186.62619	0.4
205.12114	0.4
213.12721	0.5
242.40791	0.4
247.13179	0.8
250.13907	0.4
261.18259	6.7
305.17233	9.4
323.18359	2.2
365.19339	9.4
366.42236	0.4
409.18292	100.0
410.18628	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70999	0.4
55.01815	0.4
67.05521	0.6
69.88988	1.2
79.05486	0.6
80.04534	0.4
81.07056	0.6
91.05499	0.5
93.07070	0.6
95.08606	0.6
98.23465	0.5
105.07032	0.5
107.08616	0.7
114.09151	0.7
119.08584	0.5
123.37334	0.4
127.00082	1.2
144.11708	0.5
213.12622	0.5
230.95798	0.4
247.13106	0.5
261.18231	5.7
262.55652	0.5
274.42648	0.4
296.34552	0.4
305.17206	9.0
306.17526	0.5
323.18365	2.5
343.90848	0.5
365.19360	8.4
409.18295	100.0
410.18683	6.2
424.50262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59557	0.6
69.59918	1.1
96.47107	0.3
99.47186	0.3
100.77087	0.3
108.88373	0.3
144.67455	0.3
150.67850	0.3
203.05318	0.4
210.42641	0.3
247.13054	2.9
334.50552	0.3
385.82803	0.3
409.18314	100.0
410.18652	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49381	0.5
69.49727	0.8
72.06571	0.3
77.20140	0.2
96.69353	0.3
98.97611	0.3
103.50134	0.3
117.09612	0.2
153.05443	0.3
185.36496	0.3
203.05318	1.1
247.13144	1.3
283.07925	0.9
285.09775	0.3
409.18344	100.0
410.18716	7.6
424.70087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50436	7.2
80.94814	1.8
86.00543	1.6
91.20194	1.5
98.22734	2.3
107.10417	1.6
180.13045	1.7
238.82869	1.6
409.25610	100.0
410.25919	8.0
415.88742	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92004	0.5
69.93004	0.5
70.11000	1.3
71.25339	0.6
171.21141	0.6
207.40613	0.6
223.82460	0.6
343.04721	0.7
409.25583	100.0
410.25912	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	409.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07334	0.2
55.01870	0.4
55.05507	3.6
57.02361	0.2
57.03439	0.5
57.07065	0.8
65.03954	0.3
66.04758	0.2
67.01851	0.3
67.05499	3.3
69.03432	0.7
69.07063	3.0
69.39338	0.9
71.05001	0.7
71.08627	10.4
77.03928	0.4
79.05484	4.3
81.07051	8.9
82.07351	0.3
83.01339	0.7
83.04984	0.4
83.08617	3.0
85.06533	0.4
91.05466	2.2
93.03381	0.3
93.07046	2.5
93.72578	0.2
95.04987	1.1
95.08604	4.1
96.05745	0.6
97.06533	0.8
97.10178	1.2
98.98526	0.2
99.08090	10.4
100.07645	0.2
100.08363	0.2
105.04542	0.3
105.07046	0.6
107.04955	1.6
107.08602	1.8
109.06522	1.3
109.10159	1.4
111.04454	0.3
111.08058	1.5
117.06980	0.5
119.04974	0.3
119.08594	0.4
121.06503	3.9
121.10142	1.6
123.04426	1.6
123.08096	0.4
123.11692	0.3
124.04303	0.3
124.05198	5.4
124.06081	0.5
125.02381	0.3
125.05994	2.5
127.11176	0.8
129.07010	0.7
131.08549	0.7
133.06482	0.5
133.10129	0.3
135.04405	1.2
135.08037	0.8
135.11714	0.5
137.05963	8.1
137.13184	0.4
138.06277	0.3
139.07533	41.6
139.14778	0.4
140.07861	1.0
141.12660	0.3
145.06473	0.7
145.10164	0.4
147.08070	0.7
149.05965	0.5
149.09552	0.4
151.07552	1.7
151.14799	0.3
152.04672	3.3
153.05458	13.6
153.12788	0.2
154.05923	0.3
155.07013	1.9
155.08389	0.4
157.10085	0.4
159.08046	0.8
161.05978	1.7
161.09755	0.3
162.78920	0.2
163.07530	1.5
165.05473	0.4
166.06276	0.3
167.07025	100.0
168.07346	3.3
168.11096	0.2
169.04892	0.3
173.09607	0.8
175.07556	1.5
175.11171	0.4
177.05464	1.0
177.09071	2.1
177.16347	1.4
179.07013	1.2
181.08510	1.0
183.06522	1.4
185.09563	0.8
186.06734	0.3
187.07523	2.8
187.11157	0.4
189.09087	0.7
191.06993	0.7
191.10661	2.6
193.08583	5.5
194.05672	0.6
194.08810	0.3
195.17444	6.1
196.17722	0.2
197.09668	0.3
200.08211	0.3
201.07414	0.3
201.09120	4.4
201.12733	0.4
202.09697	0.4
203.10649	1.9
204.07907	0.2
205.08647	1.3
205.12115	1.6
207.10133	2.5
215.10669	1.5
217.12204	2.3
219.10187	2.9
219.13835	0.4
229.12241	1.1
233.11674	1.7
233.15279	0.2
243.13751	0.3
247.13177	0.7
247.24272	0.4
261.15018	0.3
271.20404	0.2
281.19009	0.4
299.20078	2.5
299.25439	0.2
300.20245	0.3
311.25653	0.5
313.21561	3.5
313.45740	0.2
314.21652	0.2
317.21075	1.1
321.24176	0.6
331.22638	6.3
332.22925	0.4
335.22141	4.9
336.22327	0.7
349.23706	15.9
350.24118	1.3
359.22165	0.3
391.24759	7.0
392.24899	0.8
392.31519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57414	0.5
55.05513	4.4
57.07078	4.5
59.04995	1.1
60.05621	0.8
67.05502	12.0
69.07070	3.3
69.84262	0.6
70.69585	1.1
71.04980	0.8
78.70667	0.6
79.05509	4.5
79.43546	0.6
81.07059	16.1
83.01326	0.7
83.08619	2.4
85.06532	1.7
91.05479	2.3
93.07043	4.2
95.04977	1.0
95.08610	15.9
97.10169	0.9
105.07024	1.4
107.04960	1.3
107.08579	2.5
109.06532	3.0
109.10147	7.2
111.08063	1.6
117.07018	1.1
119.08567	1.1
121.06563	1.4
121.10152	3.2
123.04417	0.8
123.11699	1.1
124.05219	3.0
125.06003	4.7
129.06999	1.9
131.08557	1.7
133.10181	1.1
135.08049	1.5
135.11743	1.3
137.05977	8.6
139.07541	44.1
140.04666	2.6
140.07861	1.7
143.08546	0.9
145.10155	1.2
147.08034	1.8
149.05975	1.0
151.07530	5.1
151.14897	0.7
152.04581	0.8
153.05466	22.7
154.05847	0.9
155.07010	4.8
159.08087	1.6
161.05971	2.3
161.09605	1.3
163.07561	2.4
165.05438	0.6
167.07037	100.0
168.04190	3.9
168.07297	3.3
173.09564	0.7
174.06732	1.1
175.07576	4.5
175.11208	1.6
177.09109	4.6
177.16431	1.6
179.07062	2.2
181.08559	1.9
183.06526	21.0
187.07550	1.0
189.09102	3.4
191.07117	1.3
191.10658	3.0
193.08582	7.7
201.09081	1.7
203.10709	1.8
207.10133	15.5
208.10471	0.9
214.09962	0.8
215.10710	1.5
217.12143	1.3
219.10107	2.2
221.11717	3.2
225.07613	1.2
229.12201	0.6
231.13838	0.7
233.11720	2.6
235.13263	2.1
239.86040	0.7
247.13402	1.0
289.21664	2.2
293.17484	0.6
299.20074	2.5
303.23260	1.8
308.19669	2.1
313.21591	2.2
317.21075	8.0
331.19000	1.1
331.22650	8.2
332.23126	1.0
349.23724	11.4
350.24112	1.0
355.22751	0.6
374.24512	1.4
392.25403	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	409.274
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03941	2.1
54.51458	1.8
55.05513	20.5
57.06657	2.1
57.07074	10.3
59.05006	3.2
65.03920	3.4
67.05508	17.8
69.03427	10.2
69.07054	8.5
69.17024	8.5
69.17436	4.0
69.20205	1.9
71.02584	1.7
79.05496	22.3
81.03404	2.4
81.07062	34.5
83.04968	5.5
83.08621	3.5
85.06534	3.4
89.06016	2.7
91.05484	32.1
91.06024	1.8
93.07047	47.7
95.04967	52.3
95.08615	32.2
97.06532	10.1
98.98467	2.4
103.05491	3.1
105.04514	2.3
105.07027	89.2
106.07348	2.8
107.08594	24.5
109.06515	15.0
109.10174	10.6
111.08083	2.8
115.05495	2.7
117.07030	9.7
119.04939	3.4
119.08585	61.5
121.06499	21.4
121.10162	15.7
123.08064	21.4
123.11685	2.1
128.06189	3.3
129.06987	8.1
130.07777	2.4
131.08568	24.8
133.06525	4.8
133.10133	17.7
135.08035	14.2
135.11664	3.8
137.09601	8.4
141.06972	2.0
142.07761	9.7
143.08563	17.7
144.09305	3.2
145.06471	2.3
145.10124	45.4
147.08041	19.1
147.11665	38.4
149.09605	12.2
151.07558	25.2
153.09123	2.3
155.01068	3.7
155.08524	5.2
156.09286	5.6
157.10150	23.8
159.08043	4.4
159.11662	14.7
161.09604	10.5
161.13231	6.9
162.82895	1.8
163.11194	7.1
165.09106	39.8
167.08519	2.3
168.09361	4.2
169.10103	10.2
171.02620	2.8
171.11665	12.1
173.09637	4.0
173.13264	7.1
175.11185	35.9
177.09064	4.8
181.10114	4.0
181.12262	3.7
183.11693	10.8
185.13205	5.9
187.11180	5.8
187.14836	4.7
189.12704	6.3
191.14320	3.9
195.11661	5.6
197.13287	4.7
199.11229	4.7
201.12750	11.2
201.16420	3.6
203.14288	16.3
206.10942	2.2
207.11922	3.1
207.13866	7.2
209.13295	4.6
209.15395	5.0
211.14787	7.3
213.12778	3.7
215.14326	4.1
219.13776	6.5
221.15364	100.0
222.15729	3.1
223.14778	2.5
225.12805	2.6
225.16360	3.1
229.15877	7.1
231.13861	5.1
233.15323	4.9
234.16145	17.3
239.14563	3.6
249.16496	2.4
253.15630	2.2
276.70529	2.0
281.18796	2.1
286.19345	3.2
287.19989	9.2
300.20761	7.2
302.36725	2.0
311.25967	2.2
329.21063	7.9
391.26254	6.0
392.31583	2.4
409.22116	4.7
409.27298	57.9
410.27576	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
55.05515	19.7
56.20115	2.7
56.62174	2.5
57.03431	2.5
57.07065	8.6
59.04993	4.2
60.07638	2.4
65.03960	3.4
67.05508	22.6
69.03429	8.5
69.07064	15.2
69.36253	6.9
69.36660	7.5
79.05499	25.0
81.07057	42.3
83.04982	7.8
83.08618	5.2
85.06541	5.3
91.05470	44.3
93.07047	59.6
95.04969	52.5
95.08606	33.8
97.06533	12.5
98.98486	4.3
103.05443	3.1
105.07034	100.0
105.07744	6.2
106.07314	3.2
107.08588	26.4
109.06499	15.4
109.10173	15.1
111.08125	5.4
115.05418	3.5
117.07018	15.8
119.08579	72.4
121.06506	22.9
121.10137	16.1
123.08076	24.8
125.09689	3.1
128.06218	8.7
129.07016	10.1
130.07765	6.5
131.08585	30.9
133.06497	6.1
133.10135	25.3
135.08058	20.6
135.11707	5.2
137.09618	11.1
141.06999	5.4
142.07774	17.2
143.08554	28.1
144.09380	5.9
145.10127	44.7
146.10661	3.5
147.08087	16.0
147.11685	35.5
149.09596	9.0
151.07533	27.3
153.07011	3.3
155.01065	3.7
155.08549	11.5
155.10614	3.3
156.09271	5.7
157.10136	30.3
158.10916	2.9
159.08017	4.6
159.11690	20.4
160.08838	3.6
161.09625	11.6
161.13202	4.5
163.11220	9.6
165.09105	28.6
168.09438	3.8
169.10114	14.9
170.10690	3.2
171.11670	15.8
173.09642	6.9
173.13274	8.5
174.10393	3.6
175.11209	26.3
177.09109	5.7
179.08469	3.5
181.10162	7.5
181.12193	6.3
183.11642	13.9
185.09644	5.8
185.13252	4.6
187.11192	3.4
187.14810	3.8
189.12733	8.9
191.14375	3.9
193.10106	4.2
195.11612	3.0
196.12538	3.0
197.13147	6.0
199.11226	5.2
201.12793	7.7
203.14352	13.5
207.11847	4.0
207.13777	8.5
209.13373	3.9
209.15382	7.8
211.14841	8.2
211.60612	2.6
213.12805	5.3
219.13780	4.8
221.13272	6.2
221.15361	83.6
222.15797	4.1
223.14738	4.3
229.15839	3.7
233.15315	2.9
234.16165	11.9
237.12717	3.7
249.16386	3.0
277.06287	2.8
287.20044	9.8
290.65762	2.6
300.20776	5.8
329.21048	5.0
391.26385	6.7
409.27338	76.3
410.27557	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	409.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01870	12.3
55.05517	16.0
57.03428	3.0
57.07083	13.8
67.05495	3.1
69.07072	32.4
71.08629	8.4
79.05545	1.6
79.98005	1.6
81.03415	12.6
81.07063	4.4
83.08621	22.1
85.10186	6.8
93.07053	2.5
95.08633	6.5
97.10178	11.8
107.08567	2.0
109.02880	29.5
109.10178	5.2
111.04509	1.9
111.11732	8.7
115.03938	8.4
123.04447	2.1
123.11736	2.6
125.13288	1.9
127.03922	100.0
128.04309	3.1
129.34915	1.6
141.05460	3.9
147.11681	2.1
151.11273	2.5
157.72882	1.8
169.08604	6.7
183.10184	13.1
195.10193	5.4
197.11742	5.8
211.13324	5.6
222.10478	2.0
223.13457	3.0
225.14874	5.3
237.14920	1.9
239.16364	3.7
251.16467	2.3
253.17950	7.9
265.17905	4.0
267.19504	5.7
279.19577	3.1
281.21078	3.5
293.21246	2.3
295.22632	5.1
307.22736	2.6
309.24197	3.9
321.24164	2.5
323.25668	2.4
335.25900	2.1
391.32080	36.3
392.32465	5.5
409.33374	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
56.96565	16.7
66.04469	1.5
69.47050	6.7
74.56509	1.6
81.03443	2.7
81.07057	2.2
85.02914	5.6
97.02889	2.0
109.02914	1.4
111.98398	2.2
115.00761	1.9
127.03932	2.5
129.99394	3.6
141.06966	6.2
142.07823	2.9
145.04980	2.2
145.06490	3.3
153.05508	2.2
154.07790	2.1
155.03827	1.7
155.08551	16.0
167.08501	3.1
168.09370	4.9
180.09369	2.0
183.03273	1.8
183.11722	18.0
195.11719	12.6
197.13208	6.7
201.04227	2.7
203.05905	2.3
211.06224	2.7
213.12743	100.0
214.13179	2.8
219.05330	2.5
221.08362	3.8
223.06308	8.2
229.07530	2.9
239.09558	43.1
241.07472	55.3
242.07825	1.9
248.13582	1.8
257.10608	23.2
259.08551	33.2
262.11328	1.8
264.09039	3.7
265.07098	1.9
283.08517	26.5
287.94504	2.0
301.09570	65.5
302.09634	2.0
319.10733	4.1
324.11169	5.6
325.09543	2.8
343.10654	4.2
367.20801	1.9
369.08539	5.4
374.29187	1.6
387.09744	7.9
409.18405	2.1
410.12357	4.9
410.18573	7.0
411.19800	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	410.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13256	0.5
53.03954	4.4
57.03439	5.9
60.02386	0.5
61.02914	2.1
64.00392	0.5
69.03425	6.9
69.49497	0.8
69.49882	1.3
70.06602	0.7
71.01357	1.2
71.05022	0.5
73.02923	13.0
79.05486	1.7
81.03419	100.0
82.03745	2.4
83.04977	0.8
85.02907	8.9
87.04465	0.7
91.05479	1.1
95.04970	2.5
97.02885	9.2
99.04478	1.0
107.04981	0.8
109.02876	0.6
114.06697	0.5
115.03935	9.0
123.04436	1.6
127.03936	3.1
132.06635	0.6
133.04982	2.1
135.04414	0.9
139.03882	1.3
145.04977	2.4
149.06009	1.3
150.07654	2.0
153.05490	0.6
163.06119	0.6
177.05450	0.9
180.08702	1.2
191.07048	2.2
195.06676	1.0
199.05992	1.1
212.16411	0.8
213.07608	6.7
215.07095	0.8
225.07578	0.8
231.08685	0.9
241.07249	0.8
247.05516	1.3
259.08401	0.8
271.04242	0.6
313.10565	0.6
367.10107	2.2
410.10205	4.9
410.15201	2.4
411.08109	10.6
411.13034	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	410.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.3
57.07064	1.9
67.05497	4.9
68.52167	1.4
69.07070	4.9
69.12803	7.4
69.13200	2.3
71.08627	8.2
79.05479	1.6
79.86967	1.6
81.07046	6.3
83.08598	3.5
85.02914	1.7
89.06066	1.6
93.19122	1.6
95.04942	5.3
95.08604	5.2
98.23438	4.5
99.08096	5.3
104.99233	2.7
105.07023	6.3
109.06518	1.6
109.10149	3.4
114.21468	1.7
123.04411	10.0
125.05994	1.7
126.03101	2.2
131.08556	2.1
137.05960	15.7
139.03917	6.4
141.05499	7.3
151.07529	5.2
153.05438	13.8
154.05829	3.1
155.03395	2.8
163.07562	2.1
165.12715	2.0
167.03391	4.0
167.07089	3.7
169.04974	35.2
175.07610	1.5
177.05463	1.5
177.09088	2.6
179.07042	2.2
189.09030	2.9
203.10744	2.1
219.10107	2.1
319.22464	3.4
323.22153	7.1
333.20642	3.3
336.22491	2.5
351.21652	100.0
352.21869	7.2
393.26556	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	410.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05507	1.7
57.03448	0.5
57.07076	1.1
67.05516	2.4
69.03421	0.6
69.07059	2.3
69.78442	1.1
69.78841	1.0
71.08632	10.1
79.05489	2.1
80.20354	0.5
80.94838	0.7
81.07059	8.7
81.69830	0.5
83.08609	2.6
85.10218	0.5
87.64259	0.4
89.06050	2.5
91.05473	0.9
93.07045	1.5
95.04961	0.7
95.08624	3.0
97.10152	0.9
99.08096	10.8
104.99243	0.7
105.07012	1.1
107.08573	0.6
109.06504	3.6
109.10172	1.9
113.34587	0.5
119.08615	0.6
121.06515	1.7
121.10133	0.8
123.04435	1.7
123.08073	0.7
125.05984	1.1
127.11208	1.0
127.93603	0.5
128.61418	0.5
129.07043	0.5
133.08612	0.7
135.08003	0.8
136.05162	0.5
137.05978	100.0
138.03075	0.6
138.06253	2.8
139.03610	0.5
139.07526	0.8
143.08560	0.8
145.06430	0.6
147.08069	1.0
149.05972	0.9
151.07532	19.2
152.07887	0.9
153.05472	9.1
154.05820	3.9
155.07071	0.6
159.08063	0.7
161.05998	0.9
161.09612	0.9
163.07564	11.4
167.07051	3.6
168.07407	0.7
171.08119	2.3
175.07607	3.4
175.11133	1.0
177.09097	10.0
177.16438	0.9
179.07072	0.6
185.09593	1.0
187.11163	1.0
189.09134	6.6
191.10683	1.6
195.17424	2.0
203.10692	5.8
204.11113	0.7
217.12265	1.7
220.50571	0.5
231.13820	0.9
239.14940	1.7
263.16568	0.8
283.20551	2.4
301.21637	4.9
315.23190	5.0
319.22662	21.6
320.22992	1.5
333.24255	14.6
334.24527	1.0
336.22696	2.4
351.22113	1.2
351.25302	28.7
352.25620	2.2
375.25195	1.8
393.26385	8.4
393.31415	1.0
394.26761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50970	2.5
67.91615	2.3
69.74292	10.0
71.08633	12.8
80.75018	2.4
98.22725	3.7
99.08077	4.1
123.04436	33.5
137.05994	10.5
149.06006	11.6
153.05487	4.8
161.05995	5.0
163.07584	8.0
175.07585	4.3
178.89615	2.8
189.09108	6.0
263.36270	2.8
287.20230	2.9
305.21222	6.6
337.23721	100.0
338.24026	5.8
379.24817	44.6
380.24985	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	410.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
55.92176	1.4
57.07063	3.5
61.33718	1.2
64.01991	1.1
64.19235	1.4
66.38181	1.1
68.71243	1.2
69.37922	5.4
87.04551	1.2
88.95661	1.2
92.52129	1.5
98.23143	5.6
115.43055	1.4
123.04420	100.0
124.04769	2.2
126.51714	1.2
137.05928	8.2
146.99399	1.2
179.84871	1.2
203.03494	1.2
291.23154	67.0
292.23468	3.5
309.24323	2.3
309.27893	1.2
333.24191	2.6
333.27817	3.6
351.25305	1.6
411.24927	7.8
411.30072	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	410.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	19.8
61.47620	1.5
69.76569	3.7
69.76925	3.4
71.08625	17.2
77.64867	1.9
85.10171	11.7
92.65701	1.7
98.22998	5.3
109.02839	2.7
123.04414	51.3
123.05272	3.3
127.03902	10.1
291.23154	4.8
309.24203	100.0
310.24481	8.3
351.25214	62.1
352.25732	5.2
393.26337	3.1
410.28635	2.2
429.11591	1.8
432.69473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.8
69.07101	4.0
69.54141	17.0
79.22191	3.4
92.43803	4.0
98.23449	6.5
119.08686	3.6
125.05910	3.5
137.05991	11.8
139.07558	54.0
143.08565	3.8
145.76248	4.0
151.07568	10.0
152.04639	5.8
153.05499	12.1
161.09567	4.5
167.07047	100.0
175.07549	4.9
177.09062	3.7
183.06497	22.4
189.09145	10.5
193.08646	4.0
203.10759	8.3
207.10201	13.5
266.54294	3.5
287.23761	9.7
301.21533	6.3
306.86890	4.0
315.23135	33.7
333.24213	34.0
411.25125	91.0
430.80777	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	410.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
57.03441	1.6
57.06815	1.1
57.07078	10.8
65.95887	0.9
67.05496	4.7
69.07063	4.7
71.08631	21.4
71.18790	1.4
72.04550	0.8
79.05493	2.9
80.28082	0.8
81.07055	9.0
83.08610	5.5
85.10181	2.8
89.05995	1.1
93.07047	1.3
95.04939	1.1
95.08604	9.8
97.10169	3.5
98.06048	1.3
98.98466	14.5
99.08093	13.7
105.03384	1.7
107.04965	2.8
107.08593	1.7
108.15340	0.8
109.06519	5.0
109.10162	4.0
121.10213	1.0
123.04416	4.5
123.11729	2.0
135.07980	1.0
137.05972	100.0
137.13283	1.1
138.06297	3.2
139.07635	0.9
140.04750	1.5
147.04367	1.4
149.05984	1.1
151.07552	2.2
153.05460	2.6
155.01036	24.3
155.07021	1.3
161.05989	1.2
163.07533	19.6
165.16425	1.1
167.07018	2.3
171.07977	0.9
175.07555	5.3
177.09103	9.4
189.09106	7.8
193.00325	0.8
195.17358	1.7
203.10684	6.9
217.12274	2.2
239.23753	5.3
284.76978	1.0
301.21600	7.5
313.27383	9.0
319.22687	10.9
351.25284	86.6
352.25598	6.2
393.26410	18.1
394.26810	1.7
422.01736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	15.4
67.13229	11.9
83.04650	14.6
87.48705	15.2
89.96504	13.9
96.42967	13.9
153.05453	53.8
161.06058	30.8
179.07045	44.6
193.08604	100.0
199.16963	48.6
235.09712	52.7
254.99838	16.9
272.30432	15.4
301.21460	20.9
317.21085	15.8
319.22653	49.4
359.90033	16.7
361.23648	62.3
410.24371	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	410.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67190	4.3
55.05511	4.8
67.05501	11.5
69.07055	6.8
69.46604	17.1
71.08636	18.3
81.07036	9.3
91.05465	6.7
93.07098	5.1
94.08889	4.5
95.08597	14.2
97.10190	4.2
99.08097	11.1
105.07031	7.8
109.10192	5.9
121.06490	17.6
123.04420	77.4
124.05196	8.1
137.05969	20.2
139.07538	22.9
145.13228	4.1
147.07994	5.2
149.06006	10.8
151.07536	9.8
161.06010	7.8
163.07584	36.6
167.07028	91.0
175.07535	14.9
177.09109	34.2
191.10670	23.7
193.08626	14.1
205.12143	6.0
207.10158	38.8
209.08150	5.5
249.11275	10.7
301.21564	13.1
315.23199	14.2
333.24225	100.0
375.25235	30.8
410.24768	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08633	19.3
81.07067	14.5
93.57030	8.0
96.29420	8.9
96.66593	8.9
99.08080	9.6
123.04363	10.0
137.05968	54.1
163.07509	14.4
163.45554	8.7
167.07042	23.7
177.09055	14.7
193.08614	12.8
207.10110	21.0
209.08160	9.0
267.11404	10.1
305.11469	9.4
315.75809	9.8
325.20078	9.9
333.24228	25.0
347.25793	100.0
348.26227	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	410.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54306	1.5
57.07088	2.2
58.51874	1.5
69.07074	2.9
69.12823	4.6
69.13248	6.2
83.08618	1.7
84.72256	1.5
89.06035	2.1
91.05485	1.6
91.06841	1.3
97.81555	1.3
121.05064	1.7
125.05989	2.1
135.36693	1.5
137.05974	100.0
138.06323	3.6
150.54680	1.5
161.09598	2.2
234.85310	1.4
237.01479	1.4
237.14040	1.5
266.58713	1.6
315.26913	1.6
328.33328	1.9
333.27844	61.3
334.28186	5.8
349.42285	1.6
375.28821	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	410.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20866	8.0
62.76940	9.7
63.37210	9.1
69.19949	21.3
69.20356	35.5
71.08633	9.3
92.08389	9.5
98.23522	17.4
137.05971	67.5
177.09084	9.7
344.28241	9.0
347.25821	100.0
410.23459	17.5
411.24973	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	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
56.89760	1.0
56.95338	0.9
57.07077	35.9
62.06083	0.9
67.05502	1.1
69.07061	2.0
69.63777	2.4
69.64161	2.0
71.08633	26.3
73.06552	4.4
79.99725	1.0
81.07079	1.5
83.08635	2.0
85.10189	17.9
87.04475	1.8
88.20417	1.0
89.06033	100.0
89.11018	0.9
90.06366	1.2
97.10167	4.3
99.11729	3.0
104.99244	1.6
107.07063	2.5
113.13272	1.8
117.09118	1.8
119.65742	0.9
123.04422	1.5
130.08630	2.0
130.26479	1.1
133.08607	45.3
137.05968	8.9
151.09645	3.1
155.17957	3.0
167.07051	3.7
175.07561	1.3
177.11230	12.2
185.04214	1.4
195.12323	2.9
199.20641	3.3
217.12320	1.3
239.14908	24.7
243.23198	6.7
287.25851	2.8
337.23621	2.4
339.66620	1.2
357.27817	2.9
375.28967	2.4
393.28073	1.2
393.32120	34.4
393.37180	1.9
394.32339	2.3
411.26736	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	411.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64571	0.7
70.54976	1.0
80.76321	0.6
100.90083	0.7
115.39325	0.6
129.39896	0.8
159.07819	0.7
167.03209	0.7
188.33685	0.6
199.20987	0.7
227.05206	2.5
271.04224	3.8
275.79227	0.7
292.95483	0.7
294.02213	1.0
309.04599	1.5
325.08905	4.5
359.37396	0.7
367.10019	22.1
368.10321	1.4
411.08759	100.0
412.09064	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	411.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88104	0.4
68.33693	0.4
70.94202	0.6
79.08547	0.4
80.30811	0.4
90.34573	0.4
97.43057	0.4
103.71810	0.4
148.73987	0.5
185.04254	1.2
191.58371	0.5
203.05482	0.5
248.06577	3.4
249.07326	3.3
267.07135	1.1
284.90048	0.4
299.13806	0.5
393.10248	0.8
411.12521	100.0
412.12823	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	411.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86008	0.3
67.20479	0.3
70.14751	0.3
70.70097	0.4
74.63383	0.3
154.58293	0.3
249.07365	0.5
268.00739	0.4
293.69489	0.4
300.01401	0.4
372.69998	0.4
402.01688	0.4
411.12604	100.0
412.12921	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	411.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29984	0.5
55.05497	0.7
69.03404	0.5
69.30198	1.6
69.30604	0.8
71.26921	0.5
78.96697	0.4
80.37565	0.5
81.03366	0.4
83.04955	1.4
85.02880	0.8
93.07040	0.5
110.07087	0.6
111.04403	0.9
120.08099	1.0
129.06969	0.4
164.07034	0.8
183.06491	1.1
185.04167	2.1
189.05125	0.6
203.05275	5.1
231.09877	1.1
238.17899	0.5
248.06607	3.6
249.07333	6.5
354.07486	0.5
411.12308	100.0
412.12738	7.1
412.17422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1415
Annotation	beta-TOXICAROL
Peak:m/z	Relative Intensity
51.35787	3.1
63.88026	2.4
89.94882	2.7
128.98560	3.4
146.32906	3.6
147.10321	2.5
161.22339	2.5
206.12851	2.5
219.01727	3.4
237.02705	5.8
259.88596	2.5
305.74225	3.6
346.34445	2.7
347.22003	3.0
411.13840	100.0
411.18713	14.6
412.14178	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	411.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.7
85.02901	7.6
91.05422	5.2
91.09279	3.6
98.97586	12.5
110.97576	5.9
128.98604	7.1
213.14836	6.3
215.14308	8.4
219.01781	8.3
231.13770	10.2
237.02820	18.4
367.20804	19.9
410.34018	7.9
411.14136	55.5
411.19800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10739	2.9
69.66133	8.0
69.66531	7.3
85.02916	6.7
91.06597	3.2
95.04991	3.2
137.05986	4.6
151.03972	4.0
183.80544	2.8
187.51096	3.4
189.09160	3.4
221.06805	3.4
233.51134	3.2
237.02878	6.5
320.05408	3.4
356.64755	3.5
386.23785	3.3
411.14157	100.0
411.19995	13.1
412.14423	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	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
56.27714	0.3
56.96560	1.4
61.09378	0.3
69.03416	0.4
70.50489	0.3
70.50856	0.6
85.02892	0.6
97.10174	1.7
98.97585	6.5
110.97573	0.4
116.98628	2.4
125.09664	0.6
133.34506	0.3
134.99561	0.4
143.10684	1.7
143.84114	0.3
167.03555	0.3
211.42142	0.4
217.14444	0.8
221.04543	0.4
249.11081	1.0
251.02263	0.3
258.67871	0.3
267.05408	0.5
279.01889	0.4
291.01828	1.1
297.02847	1.3
309.02829	3.0
315.04138	0.5
324.63101	0.3
327.04016	0.5
345.16968	0.4
369.04773	0.5
401.51086	0.3
411.16254	100.0
412.16550	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.84693	0.2
51.59084	0.3
58.23778	0.3
60.33873	0.2
67.16528	0.3
68.90172	0.3
69.41171	0.7
69.41560	0.7
88.44653	0.3
98.22691	0.5
127.99651	0.3
150.07735	0.4
162.04173	0.3
219.81497	0.3
244.57265	0.3
261.63480	0.3
411.19894	100.0
412.20230	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	411.1992
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05516	0.6
58.65294	0.2
69.03455	0.3
69.30161	1.2
81.07078	0.3
83.04972	1.2
83.08647	0.5
107.08640	0.4
109.10166	0.3
110.46763	0.2
121.10160	0.3
125.09665	0.3
128.73622	0.2
137.05954	0.3
149.13283	0.3
151.11226	0.8
167.14299	2.6
203.05330	1.1
207.06567	0.3
209.15334	2.1
217.48840	0.2
231.13554	1.5
237.85194	0.2
249.14633	2.0
250.39775	0.3
411.19870	100.0
412.20218	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	411.1992
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.45898	0.5
57.03438	0.5
59.40163	0.5
64.85665	0.5
67.05497	0.7
69.03423	1.5
70.32603	0.4
73.02911	0.9
79.05501	1.1
81.03422	0.6
81.07037	0.6
85.02905	1.6
91.05479	0.8
93.07044	2.1
95.04960	0.6
95.08595	0.5
97.02891	1.7
97.06480	0.6
98.97582	0.6
107.08596	2.0
109.02869	0.6
109.10133	2.2
111.15992	0.5
116.50780	0.5
119.08556	0.7
121.10140	0.6
123.08112	0.7
125.06013	0.5
125.94542	0.4
127.03988	0.8
135.11717	1.3
140.11783	0.5
147.08002	0.6
153.09137	1.2
156.82727	0.5
157.08600	2.3
165.09177	0.8
166.05789	0.5
185.11807	2.1
187.07805	0.5
191.08139	0.9
193.05028	0.5
197.11777	1.5
215.12793	2.4
217.05165	0.5
219.13824	0.6
233.13803	1.1
249.14932	0.6
257.52722	0.5
269.78381	0.5
279.16083	0.6
279.86517	0.5
411.19986	100.0
412.20309	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	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.96547	0.4
57.03435	0.4
61.98770	0.3
65.43819	0.3
67.05494	0.5
67.95891	0.3
69.03442	0.6
69.07067	0.3
69.55194	0.9
69.55584	0.6
71.04993	0.3
73.02911	0.3
73.07159	0.3
75.58620	0.2
79.05502	1.2
81.03436	0.5
81.07059	0.9
81.88644	0.3
83.08630	0.4
84.42487	0.2
85.02901	2.0
91.05476	2.1
93.07043	0.3
95.04990	0.4
95.08630	0.4
96.08134	1.9
97.02914	1.0
98.97591	2.0
99.04488	0.3
105.01884	0.4
105.07039	0.4
107.08612	0.5
109.02896	0.3
116.98605	0.5
121.10130	0.3
124.07610	0.5
125.05946	0.3
127.03908	0.9
129.09117	0.6
142.08607	0.4
145.04962	0.7
160.09712	0.7
163.03873	0.6
184.07327	0.5
185.04231	0.3
201.03873	0.4
203.05269	2.2
203.72517	0.3
231.10078	0.3
231.13641	0.5
249.11333	0.4
295.78064	0.3
304.14093	0.9
309.02957	1.0
367.17303	0.4
369.05103	0.4
393.14172	0.6
411.19965	100.0
412.20135	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	411.2507
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
63.93216	0.8
69.07054	1.3
69.44464	1.9
69.44852	1.6
70.67423	0.8
74.83700	0.8
83.14200	0.8
87.48549	0.9
114.21899	0.9
153.05614	0.8
184.07321	1.0
211.09422	0.9
238.10243	0.8
248.50011	0.8
317.17010	0.9
372.46533	0.9
411.25046	100.0
412.25436	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	411.2508
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
51.16507	1.4
55.05510	5.4
57.03435	9.3
57.07077	42.9
67.05514	11.7
69.07060	10.3
69.15330	6.8
69.15738	3.3
71.08632	28.5
81.07072	13.6
83.08632	12.3
85.10178	13.3
89.06025	1.9
93.07050	2.3
95.08601	24.5
97.10155	8.3
98.98463	60.0
109.10146	8.7
111.11707	2.4
123.11701	5.7
155.01035	100.0
156.01398	1.8
196.23936	1.5
235.40536	1.9
239.23701	12.9
313.27350	35.6
314.27780	3.3
393.24112	7.9
411.28625	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.6
53.29978	0.2
54.96636	0.3
55.56776	0.2
65.03944	0.6
68.99801	0.7
70.24754	0.5
71.26328	0.2
76.82504	0.2
78.03456	1.7
80.05013	3.8
96.04498	2.0
98.22717	0.3
100.11277	0.3
106.02917	2.2
106.81352	0.2
111.00785	2.0
111.04464	0.4
121.02843	0.8
123.04424	0.4
124.03950	100.0
125.04280	2.4
133.02849	0.6
136.05504	0.3
139.03899	36.5
140.04253	1.0
149.05940	0.4
151.03894	2.5
152.92073	0.3
156.34392	0.2
159.04338	0.4
163.03903	5.2
179.07028	1.4
205.05008	2.4
241.09848	0.3
244.06293	0.3
249.06952	0.2
268.49442	0.2
270.85062	0.3
271.05661	0.4
274.06995	0.4
289.07050	9.2
289.10254	0.5
290.07312	0.3
394.08981	0.3
411.19559	0.3
412.10007	9.3
412.19995	3.6
413.10229	0.5
423.75552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.6
55.45640	1.3
56.69596	1.3
57.03429	10.9
57.31952	1.4
59.05003	11.2
61.02920	3.0
62.41297	1.6
67.05502	7.1
69.03421	10.6
69.07062	10.6
69.46857	6.6
71.04951	1.6
79.05489	20.4
81.03413	3.0
81.07053	15.7
83.04980	3.9
83.81061	1.4
85.02900	15.8
85.06503	1.8
87.04462	8.4
91.05466	4.5
93.07043	11.0
95.04972	3.1
95.08599	6.0
97.02896	4.1
97.06528	29.8
99.04455	3.6
105.07037	4.6
107.04951	5.4
107.07928	2.8
107.08590	30.1
109.02888	1.8
109.10156	17.8
111.08078	3.1
113.06007	2.2
113.09634	2.6
115.07571	3.0
117.05489	4.3
119.08576	27.1
121.10151	9.2
121.59832	1.5
123.08056	33.9
124.08435	1.7
125.05985	32.7
125.09628	21.9
127.03906	2.0
135.08076	4.3
137.09628	10.4
139.07549	9.9
141.09076	8.3
142.28185	1.5
143.07051	3.2
145.04961	2.5
147.08072	14.9
153.09102	48.5
155.10651	2.3
157.08594	80.1
158.09016	1.5
163.07567	1.6
165.09108	35.3
171.30722	1.8
179.10658	11.7
183.10152	6.1
185.11723	97.1
186.12019	3.1
197.11717	66.3
198.12154	2.9
215.12770	100.0
216.13132	2.3
233.11681	6.9
233.13789	57.2
234.14183	2.2
326.40173	1.7
412.20218	6.2
413.13239	1.9
413.17715	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	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01895	2.2
55.05525	2.5
57.03436	22.4
57.07082	2.4
59.05004	4.7
61.02930	4.9
65.51249	2.1
69.03429	69.6
69.03806	4.0
69.74893	2.2
73.02921	3.7
75.04462	2.9
79.05514	3.9
81.03423	9.1
81.07062	3.6
82.96838	2.2
83.08661	3.3
85.02908	100.0
85.14464	2.3
87.04469	48.0
91.03963	3.6
91.05463	13.7
93.25275	2.1
96.08125	5.6
97.02897	75.0
99.04453	3.6
103.03924	2.5
109.02904	7.0
115.03933	83.3
115.09157	2.3
124.07629	5.1
127.03922	21.5
133.04971	98.8
137.05972	2.5
138.65149	2.1
142.08687	5.8
145.04968	53.6
150.07664	10.9
163.06050	26.5
210.71631	2.4
233.13861	3.6
259.08188	6.2
263.14883	9.4
277.09326	3.0
295.10236	7.0
302.34204	2.2
304.13907	3.3
394.18704	3.1
412.20157	37.8
413.17773	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01862	2.5
55.05500	3.6
57.03435	27.6
59.05000	6.0
60.04535	1.3
60.08171	1.1
61.02923	5.8
66.91119	0.8
67.05493	1.4
69.03429	79.5
69.07057	1.3
69.37121	3.9
71.01351	1.3
71.04990	3.5
73.02912	10.7
75.04486	1.2
79.05489	2.2
81.03402	6.0
81.07051	1.8
83.04996	1.5
83.08615	7.0
85.02901	100.0
86.03253	1.2
86.09719	1.5
87.04466	58.7
91.03954	3.7
91.05492	0.9
93.07064	1.6
95.04968	2.1
95.08599	2.9
97.02891	69.8
99.04459	4.3
101.09648	1.8
103.03912	1.5
104.10770	6.0
105.28511	0.9
107.08591	1.5
109.02856	5.3
111.04427	1.4
111.08064	2.0
113.09641	1.1
114.89133	1.1
115.03928	87.8
116.04232	1.6
117.05464	1.2
119.08624	1.0
119.35297	0.9
123.04543	1.0
123.08083	1.2
124.03945	12.4
124.99991	1.5
127.03912	17.5
129.09116	1.5
132.59944	1.0
133.04962	95.2
134.05322	1.7
135.08087	1.2
139.03857	4.6
139.07480	1.7
141.09138	2.3
145.04951	28.7
150.07596	8.8
150.22246	1.1
151.03865	1.6
151.07350	1.0
163.05998	11.4
167.10764	4.9
169.04935	1.7
169.08583	0.9
179.10667	1.4
184.07370	4.5
197.11739	3.4
215.10838	0.9
215.12730	2.1
219.20448	0.9
223.05910	2.0
227.12659	1.7
229.07076	1.1
238.03363	1.0
241.07101	3.0
245.13829	3.3
259.08047	4.5
263.14981	4.6
277.09180	2.5
295.10190	3.9
301.78970	0.9
351.08478	1.0
352.52707	0.9
412.20206	19.2
413.17688	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05496	2.0
57.03437	11.8
61.02914	1.3
67.05489	1.3
69.03430	3.9
69.06763	0.7
69.07069	7.4
71.04994	70.0
71.69724	0.8
73.02879	2.7
75.04482	4.1
79.05457	3.0
81.03387	3.0
81.07032	3.2
83.04979	10.0
83.08608	1.9
85.02905	100.0
85.06524	1.6
87.04447	3.2
91.03945	0.9
91.05473	6.0
93.06995	1.5
95.08597	2.1
96.08125	4.8
97.02898	5.3
97.06501	1.9
99.04424	2.3
101.05927	0.8
105.06976	0.9
109.02870	1.8
109.65877	0.8
111.04448	5.7
111.08054	2.5
118.00949	0.9
124.07555	1.0
127.03904	6.2
129.05475	45.1
129.09122	1.1
130.05759	2.1
133.81888	0.9
135.08002	1.4
142.08583	2.8
145.04932	6.6
146.08054	0.8
147.06516	28.6
160.09653	1.3
163.06006	4.1
164.09192	6.1
166.08629	0.9
197.11790	1.2
201.80750	0.8
203.12657	1.0
215.12741	2.3
224.70155	0.8
231.12248	1.4
255.08504	2.2
273.09576	2.6
304.13788	2.6
309.11557	3.1
412.16299	61.6
413.12054	3.4
413.16980	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	412.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
69.03416	0.8
69.79855	1.8
84.03712	0.5
85.02914	4.1
91.05463	1.4
93.07043	1.1
95.08595	1.4
97.02867	1.0
105.07029	1.3
107.08577	0.7
109.06504	0.8
117.07018	0.5
119.08569	1.4
124.41177	0.5
127.03940	1.0
129.06979	1.7
129.24561	0.5
131.08563	10.0
133.10150	1.2
141.06978	1.4
142.07756	4.5
143.08533	5.1
144.09157	0.6
145.10127	7.2
155.08575	3.4
156.09300	1.2
157.10136	13.5
158.10916	4.2
159.08060	3.5
159.11653	0.9
161.09578	0.6
165.05600	0.6
167.08543	0.7
169.10181	1.1
171.11681	2.9
172.08826	0.9
172.12334	0.8
173.09680	2.8
173.13254	20.9
174.13568	0.8
182.10924	1.9
185.13257	0.8
187.11174	0.9
187.14809	4.7
196.99727	0.6
197.13252	9.9
198.13528	0.7
215.14308	100.0
216.14627	5.5
233.15370	2.3
412.20572	0.8
413.17584	1.8
413.21960	1.6
439.96600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85775	1.0
59.05008	2.9
69.03431	4.5
69.07064	1.9
70.34924	1.8
79.89073	1.1
81.07050	1.5
85.02898	14.4
91.05487	1.0
93.03934	1.1
95.08587	1.1
97.02913	10.7
105.07037	2.2
107.08595	1.7
109.02931	1.8
119.08543	1.4
119.66853	0.9
121.06506	2.4
127.03907	3.4
128.06256	1.3
129.07011	1.6
129.12767	2.0
131.08569	4.0
135.08087	1.0
141.07007	3.0
142.07793	3.5
143.08554	11.5
145.04929	2.8
145.10139	5.8
147.08083	2.0
153.06900	1.0
155.08549	22.2
156.09335	6.0
157.10115	8.7
158.07323	2.5
159.08054	11.6
159.11700	1.8
167.08583	3.1
169.10117	10.7
171.11699	4.0
172.08871	1.4
173.09630	32.4
173.13202	1.5
174.09964	2.0
177.09134	2.2
180.08600	2.3
182.10922	8.4
183.11250	1.1
185.13210	6.8
186.10388	3.1
187.11169	7.7
187.14917	1.2
197.13257	77.5
198.13588	4.1
199.14890	3.6
202.05954	1.1
213.12744	1.3
215.14317	100.0
216.14642	5.3
233.15356	16.2
234.15573	1.0
236.82336	1.3
250.11603	1.1
377.19504	3.5
412.20065	1.9
413.15906	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	412.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00354	0.2
55.05506	0.3
57.03455	0.2
57.06765	0.2
57.07050	0.3
59.04986	1.0
65.40567	0.3
69.03412	0.5
69.07088	0.3
69.47691	1.0
79.05492	0.3
81.03413	0.3
81.07052	0.4
81.95457	0.2
83.29518	0.3
85.02535	0.2
85.02908	2.0
85.57394	0.2
91.05476	0.5
93.07080	0.3
94.96338	0.2
96.08755	0.2
97.02879	0.7
105.07014	0.7
115.05489	0.4
117.07020	0.5
119.08565	1.5
123.08067	0.3
128.06203	0.5
129.07018	1.6
131.08563	4.4
133.10139	0.3
133.24028	0.3
141.06921	1.5
142.07780	2.1
143.08568	4.4
145.04988	0.4
145.10114	2.0
155.08551	7.3
156.09346	4.1
157.10136	7.7
158.10912	1.8
159.08075	0.9
159.11674	0.3
163.89424	0.2
167.08568	1.0
168.09317	0.4
169.10118	4.3
170.10886	0.3
171.11690	6.2
172.12447	1.5
173.09619	1.6
173.13268	3.9
177.56129	0.3
182.10905	2.1
185.13234	0.6
187.11125	2.2
197.13249	7.8
215.14301	100.0
216.14641	4.9
233.15289	0.8
359.18649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32310	0.7
68.98158	0.8
69.03417	1.1
69.07076	1.3
69.46878	3.0
81.03387	1.0
81.07055	0.9
85.02898	6.0
91.05476	1.6
95.08617	1.1
97.02885	1.6
98.22707	1.9
105.07037	3.5
105.97925	0.7
117.07021	2.3
119.08608	1.5
127.03935	1.3
128.06233	2.4
129.07030	3.9
130.36708	0.8
131.08575	3.0
141.06966	8.5
142.07768	2.3
143.08545	18.3
145.04947	0.9
145.06467	1.6
145.10098	1.9
153.07005	1.3
154.07758	1.9
155.08553	21.2
156.09338	11.9
157.10138	7.5
159.08012	1.7
163.33649	0.8
167.08566	6.5
168.09267	1.6
169.10135	12.0
170.10864	0.9
171.11679	4.8
173.09624	1.9
181.10086	1.3
182.10909	19.5
182.12468	1.4
183.11305	1.4
185.13245	9.9
187.11203	1.1
187.14839	2.1
197.13249	100.0
198.13567	5.5
199.14734	1.5
215.14305	93.9
216.14708	6.3
233.15369	1.9
299.19968	1.2
344.25909	0.8
359.18533	2.6
368.21231	2.1
412.20157	14.0
413.21069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14852	2.6
52.65658	2.9
54.15688	2.6
69.43294	5.0
69.43685	8.8
87.90832	2.4
92.35053	2.7
98.23470	5.5
98.97578	3.9
99.25964	2.7
139.04048	2.9
147.61092	2.6
201.18196	3.1
237.02788	7.0
250.99982	26.8
269.01089	17.5
293.00925	14.7
317.00989	3.9
329.01135	4.1
335.02118	2.9
371.00684	3.8
395.03989	4.8
413.08347	91.9
413.14133	100.0
414.08826	6.3
414.14252	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	413.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65410	4.0
64.80687	4.1
65.93983	4.2
71.28240	3.9
74.57809	4.1
98.97569	5.2
128.98645	4.7
136.06201	16.6
162.04097	8.6
172.39485	3.9
182.91803	3.7
207.41420	3.8
234.04042	4.6
360.70615	4.6
413.08536	100.0
414.08667	6.8
422.85318	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	413.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55469	0.6
56.96554	0.7
62.26482	0.5
67.60078	0.7
70.06592	0.9
70.20509	1.1
70.78708	0.6
71.02789	0.6
82.72936	0.6
98.97589	1.1
116.98661	0.7
121.00764	0.7
142.09216	0.6
186.83415	0.6
203.09036	0.6
296.02008	0.9
311.04285	0.9
353.05057	1.1
361.91928	0.7
413.08536	8.5
413.14142	100.0
414.14349	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75296	0.6
70.76349	0.9
95.01083	1.1
96.01915	0.7
112.01351	0.9
113.02120	1.7
118.11910	0.6
136.06177	1.0
145.00793	0.6
163.01886	1.0
163.07500	1.1
168.58720	0.7
181.08629	0.8
185.04259	1.8
237.24974	0.7
251.09077	1.2
252.97978	0.7
255.05232	0.8
264.07507	3.2
281.09900	1.2
287.45230	0.7
292.97455	2.5
301.05936	1.2
338.17743	0.7
371.00815	1.2
413.14197	100.0
414.14441	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36033	0.3
70.02775	0.7
98.22783	0.3
129.89154	0.4
136.06204	1.0
162.04037	0.8
186.10948	0.4
226.22545	0.4
244.26408	0.3
281.09952	0.9
348.51019	0.3
413.14154	100.0
414.14407	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	413.161
Annotation	Viscosol
Peak:m/z	Relative Intensity
56.96558	4.5
58.89317	0.8
59.86440	0.9
67.05505	1.0
69.34595	3.9
79.05482	2.6
81.07022	0.9
91.05485	1.1
93.90961	0.9
128.98622	1.2
145.74945	0.9
199.06340	1.2
243.09012	2.4
331.15707	13.0
349.16687	10.1
353.13986	12.4
354.14569	1.3
371.14883	4.6
372.18436	3.3
394.16797	1.3
412.32220	1.2
413.16074	100.0
414.16367	6.5
431.17056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.209
Annotation	Quaternine
Peak:m/z	Relative Intensity
57.07066	5.5
61.35572	3.5
63.70628	3.2
63.70970	3.4
63.75746	4.5
69.19900	19.7
71.08621	4.6
74.38805	3.8
79.64405	4.1
81.07079	5.3
83.87280	3.8
95.08566	4.7
98.22695	9.4
109.10189	4.0
148.49258	3.8
156.17455	7.0
191.63380	4.6
217.78873	4.3
219.56500	4.3
378.10645	4.7
412.45279	9.2
413.20871	100.0
413.26688	33.0
413.31744	4.5
414.21490	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	413.2089
Annotation	Quaternine
Peak:m/z	Relative Intensity
68.11776	11.7
69.50854	23.1
69.51273	47.8
69.52642	12.7
119.15215	13.8
121.93825	13.5
144.05443	11.8
144.06558	13.0
171.20221	13.6
222.17937	12.4
260.56711	12.0
371.21948	13.8
413.20883	98.5
413.32248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2149
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
54.06125	0.3
57.03429	0.3
69.03417	0.6
71.68239	0.2
71.81051	0.3
81.03394	0.3
81.07059	0.4
85.02898	0.7
87.04453	0.4
95.08601	0.3
97.02902	0.3
115.03902	0.4
119.08588	0.3
129.18329	0.2
133.04971	0.6
145.05002	0.4
147.08060	0.4
165.09482	0.2
203.05315	1.5
221.54977	0.2
229.08273	0.2
233.15347	0.7
251.16161	0.7
276.68576	0.2
383.20407	25.7
384.20670	1.8
395.20343	1.7
413.21451	100.0
414.21774	7.4
424.80145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96776	1.3
50.97543	1.2
56.98720	1.4
70.85184	1.9
106.06521	2.3
121.94066	1.4
123.09161	1.8
153.05481	2.8
154.05821	2.5
180.88245	1.3
257.25250	1.4
315.81107	1.6
413.22971	100.0
413.31668	2.6
414.23105	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	413.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06269	0.6
65.68673	0.6
70.96427	1.0
104.62132	0.6
124.01651	0.5
136.83130	0.6
210.42957	0.6
371.21921	100.0
372.17865	1.1
372.22253	7.9
376.99893	0.6
413.22858	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	413.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36195	7.6
73.50001	1.6
109.67771	1.4
167.54314	1.8
175.04517	5.2
275.71548	1.5
349.74316	1.4
371.21942	100.0
372.22400	8.2
383.13229	1.5
385.80460	1.6
412.16846	2.7
413.13773	10.2
413.17670	11.5
413.22971	10.0
413.32318	35.3
414.13696	7.0
414.19125	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	413.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35466	0.8
55.92941	0.6
56.10871	0.7
57.07053	0.9
67.05498	0.9
69.19088	4.3
81.07035	1.7
83.08553	0.7
86.48774	0.7
95.08588	0.9
102.33253	0.8
104.38776	0.8
109.10134	1.2
119.08581	0.7
413.26584	100.0
414.15601	1.1
414.26965	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	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00892	1.2
55.01870	2.2
57.03441	24.0
59.05010	2.5
61.02924	8.7
68.76749	1.3
69.03432	58.1
71.01373	1.8
71.43282	1.9
73.02920	21.3
75.04496	1.6
77.88517	1.2
81.03428	5.6
85.02910	100.0
87.04469	33.8
87.05008	1.8
91.03970	3.6
94.65190	1.5
95.26842	1.2
96.72145	1.4
97.02899	62.3
98.03252	1.7
98.97626	1.1
99.04462	4.1
103.03918	2.2
104.89715	1.3
105.07024	1.9
107.08605	2.3
108.73371	1.5
109.02874	5.5
115.03934	71.5
121.06628	1.4
127.03931	20.1
130.09274	1.2
131.08598	1.4
133.04970	64.7
134.05344	1.3
145.04964	43.9
145.06094	2.7
150.07640	6.2
163.06018	17.7
167.10660	1.3
235.42540	1.3
241.07043	2.2
248.85634	1.3
259.08099	2.4
265.16568	1.4
295.10278	2.7
377.01733	3.9
378.74829	1.6
414.17639	3.0
414.22467	2.5
415.19315	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	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01870	1.6
55.05505	1.5
55.28368	0.6
57.03436	7.9
59.05000	0.8
61.02917	2.5
69.03420	3.0
69.08343	4.3
71.04990	62.3
72.05350	0.7
73.02911	2.2
75.04476	5.2
79.05475	0.7
83.04974	8.6
85.02902	100.0
86.03232	1.3
87.04462	2.7
93.07034	0.9
95.08593	0.9
97.02892	4.1
99.04495	1.1
101.05995	1.0
103.03962	0.7
105.07030	1.1
107.04896	1.2
109.02870	1.3
111.04427	4.9
119.08602	1.0
123.04412	1.0
124.03981	1.1
125.04280	1.5
127.03925	4.4
129.05476	39.1
130.05759	0.8
131.08447	1.0
131.67551	0.7
137.05893	1.0
145.04971	7.0
146.08124	1.7
147.06522	20.9
148.06790	0.8
151.03951	1.4
163.06050	4.2
164.09189	6.7
178.05550	0.7
181.04910	0.9
199.14844	0.8
209.04436	2.7
217.15904	1.1
233.04486	0.8
240.15976	0.7
247.06020	0.7
251.05550	0.9
255.08604	2.4
273.09561	1.0
309.11942	1.7
330.61841	0.6
397.63504	0.8
414.17941	2.2
414.22345	1.4
415.19183	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	414.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12876	1.9
55.05513	2.2
61.02928	3.1
66.52711	2.1
67.05527	4.3
69.03424	6.9
69.07072	8.6
69.29987	9.4
79.05485	8.9
81.07059	10.5
83.08622	3.2
85.02903	17.5
85.06547	3.2
91.05476	16.6
93.07049	8.6
95.04927	2.7
95.08611	7.7
97.02900	3.3
97.06532	3.0
98.97562	3.7
105.07019	39.9
105.07650	3.4
107.08586	10.5
109.10163	6.6
111.08091	3.2
117.07031	8.4
119.08577	14.5
121.10133	4.7
123.33157	2.0
125.09583	2.4
127.03909	5.6
128.06206	10.5
129.06989	11.4
131.08557	45.1
133.10120	9.9
135.08073	6.2
141.06995	2.5
142.07755	14.2
143.08545	53.0
144.08833	3.9
145.04958	4.0
145.10114	10.2
147.11722	6.3
155.08603	3.0
156.09366	7.3
157.10118	72.7
158.10497	3.5
159.11671	11.4
161.09605	14.1
169.10120	3.5
170.10834	2.6
171.11716	12.5
173.13329	4.5
175.11162	4.0
187.14784	5.3
189.16446	6.0
197.13361	3.0
199.14809	100.0
200.15201	6.0
201.16377	3.7
217.15889	59.0
218.16316	3.2
235.16872	15.1
274.97620	4.1
343.19019	2.4
361.20093	5.1
414.21625	3.3
415.19296	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	414.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80108	0.4
55.05515	0.9
57.03444	0.6
57.07064	1.3
57.27932	0.4
59.04992	0.8
67.05505	0.4
69.03419	1.4
69.07063	4.5
79.05486	1.3
81.07058	2.4
85.02891	3.8
91.05480	3.1
93.07043	1.2
95.08598	1.8
97.02897	0.8
98.23499	1.1
105.07028	7.1
107.08598	1.8
109.02881	0.5
109.10126	1.0
117.07014	3.6
118.31821	0.4
119.08562	3.2
121.06543	0.6
121.10136	0.5
127.03895	1.0
128.06215	2.0
129.07024	4.7
131.07539	0.6
131.08559	11.8
132.08847	0.6
133.10106	2.6
135.11615	0.4
142.07753	1.8
143.08556	13.7
144.09009	0.5
145.10118	7.6
147.08054	2.4
148.81239	0.4
155.08600	0.6
157.10126	9.3
158.10605	0.5
159.11642	2.2
161.09633	1.7
171.11705	2.4
173.13298	1.4
175.11206	0.6
184.12498	0.5
187.14799	8.6
188.15111	0.5
189.16394	0.5
199.14804	11.1
200.15160	1.0
201.16403	1.0
217.15872	100.0
218.16222	4.7
224.52855	0.4
235.16835	0.6
274.97311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90822	0.5
55.01891	0.6
55.05510	0.9
57.07072	1.6
59.04996	1.1
67.05515	0.5
69.03419	1.3
69.07063	3.8
69.40770	2.8
71.08644	0.6
78.95711	0.5
79.05476	1.3
81.07052	3.1
83.04965	0.9
85.02890	2.9
85.06537	0.7
91.05479	2.8
93.07056	2.7
95.08620	0.9
97.02857	1.2
97.28023	0.5
98.23421	1.3
105.07037	6.1
107.08572	1.6
117.07034	2.6
119.08575	9.1
121.10119	0.8
125.09634	0.7
128.06198	2.6
129.07010	10.3
131.08571	4.2
133.06483	0.8
133.10123	6.5
137.09570	0.5
139.12331	0.5
140.14041	0.5
141.06979	1.2
142.07764	1.8
143.08560	16.7
145.04877	0.8
145.10123	3.9
147.06863	0.8
147.08047	16.4
147.11673	1.5
148.08353	0.6
149.09633	0.8
155.06020	0.6
155.08546	1.2
156.09340	1.8
157.10130	19.7
158.10529	0.8
159.11678	4.7
161.09598	4.9
170.10866	1.7
171.11688	4.7
173.13297	1.7
175.11172	2.5
184.12442	1.2
187.14841	2.7
189.16304	0.6
199.14818	24.9
200.15176	0.7
204.66570	0.5
208.70024	0.6
217.15869	100.0
218.16190	5.6
235.16797	1.4
334.96527	0.6
414.21805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90822	0.5
55.01891	0.6
55.05510	0.9
57.07072	1.6
59.04996	1.1
67.05515	0.5
69.03419	1.3
69.07063	3.8
69.40770	2.8
71.08644	0.6
78.95711	0.5
79.05476	1.3
81.07052	3.1
83.04965	0.9
85.02890	2.9
85.06537	0.7
91.05479	2.8
93.07056	2.7
95.08620	0.9
97.02857	1.2
97.28023	0.5
98.23421	1.3
105.07037	6.1
107.08572	1.6
117.07034	2.6
119.08575	9.1
121.10119	0.8
125.09634	0.7
128.06198	2.6
129.07010	10.3
131.08571	4.2
133.06483	0.8
133.10123	6.5
137.09570	0.5
139.12331	0.5
140.14041	0.5
141.06979	1.2
142.07764	1.8
143.08560	16.7
145.04877	0.8
145.10123	3.9
147.06863	0.8
147.08047	16.4
147.11673	1.5
148.08353	0.6
149.09633	0.8
155.06020	0.6
155.08546	1.2
156.09340	1.8
157.10130	19.7
158.10529	0.8
159.11678	4.7
161.09598	4.9
170.10866	1.7
171.11688	4.7
173.13297	1.7
175.11172	2.5
184.12442	1.2
187.14841	2.7
189.16304	0.6
199.14818	24.9
200.15176	0.7
204.66570	0.5
208.70024	0.6
217.15869	100.0
218.16190	5.6
235.16797	1.4
334.96527	0.6
414.21805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44203	1.0
55.05497	2.1
61.02917	1.5
67.05508	3.2
69.03427	3.1
69.07063	2.6
69.24365	5.6
79.05492	3.7
81.07051	7.8
83.08608	1.1
85.02896	10.7
91.05477	7.9
93.07045	11.1
95.04958	1.6
95.08599	7.2
97.02895	3.0
98.97565	1.5
105.07024	27.9
105.07732	1.4
107.08585	11.1
109.10148	4.2
111.08105	1.5
117.07016	3.5
119.08566	15.0
121.10112	2.7
123.08046	1.9
127.03855	2.1
128.06203	3.3
129.06999	3.6
131.08553	11.1
133.10120	9.5
137.09575	1.1
142.07803	8.9
143.08546	26.4
144.09050	1.2
145.04988	1.6
145.10129	12.3
147.11714	5.9
155.08595	1.8
156.09344	2.8
157.10121	36.5
158.10678	1.8
159.11679	13.4
161.09619	7.5
161.13252	1.9
163.06114	1.1
169.10127	1.9
170.10895	1.4
171.11691	10.2
173.13261	7.5
175.11166	3.0
175.14766	1.5
184.12466	3.0
187.14746	2.5
189.16364	8.5
197.13371	0.9
199.14807	54.4
200.15039	2.2
201.16383	1.7
217.15868	100.0
218.16159	5.7
232.87770	1.0
235.16959	4.5
343.19086	1.3
350.03207	1.1
361.20166	2.8
379.20947	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
57.07069	3.0
61.02915	2.7
66.02178	1.7
67.05507	3.8
69.03425	4.8
69.07064	8.4
69.56535	6.8
73.95753	2.1
78.18187	1.9
79.05486	7.0
81.03429	2.7
81.07027	6.3
83.04961	2.8
83.08620	2.5
85.02905	20.3
85.06529	3.1
91.05477	15.4
93.07042	9.1
95.08598	9.0
97.02875	8.6
98.97566	3.6
105.07037	36.4
107.08583	7.1
109.02877	2.5
109.10175	5.1
116.98578	2.0
117.07013	6.7
119.08584	17.3
121.06494	3.7
121.10133	5.8
123.08085	2.9
125.09583	2.5
127.03905	6.5
128.06181	11.4
129.07027	9.5
131.08563	38.9
133.10120	14.4
135.08015	6.0
135.11780	1.7
141.06964	3.1
142.07796	13.6
143.08559	49.6
144.08910	3.3
145.04951	5.9
145.10095	10.4
147.11687	4.2
155.08498	4.0
156.09369	6.2
157.10130	74.8
158.10497	3.6
159.11694	9.0
161.09615	13.7
161.13240	2.0
169.10173	3.0
170.10898	3.6
171.11659	11.7
173.13145	3.2
175.11107	2.1
181.04950	2.5
181.09973	2.0
187.14751	4.6
189.16353	6.9
189.76686	1.9
197.13223	3.3
199.14809	100.0
200.15173	4.5
217.15877	67.1
218.16127	3.2
235.16959	15.6
253.14197	2.6
254.10870	1.9
266.72781	2.1
274.97525	4.3
331.95004	1.9
361.20050	6.3
375.33728	1.9
415.19348	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	414.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48045	0.6
59.04995	1.2
63.19086	0.7
69.03425	0.8
70.80944	0.7
71.05022	0.6
73.06553	2.8
80.40211	0.6
81.07027	0.6
85.02934	0.7
87.04465	22.7
89.06026	100.0
90.06348	1.3
91.07623	1.0
91.63685	0.6
94.55741	0.5
97.02856	0.6
105.07003	0.7
107.07076	1.7
107.08610	0.7
109.06532	0.8
117.09062	1.3
127.03911	0.7
130.08643	1.5
131.07040	6.3
133.08600	49.7
133.82256	0.6
166.09419	0.7
175.09677	5.5
177.11206	15.4
221.13861	1.9
224.77032	0.5
250.20305	0.6
259.97754	0.6
265.46075	0.7
267.17896	0.6
414.21652	7.0
414.26422	1.2
415.17426	4.4
415.22974	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	414.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85948	0.3
57.07076	34.3
69.73679	0.9
72.64057	0.4
75.75652	0.3
77.03938	0.6
79.05504	0.4
80.62694	0.4
86.06099	0.4
87.04469	1.5
88.07614	0.5
89.06013	3.3
91.05481	3.4
93.07040	5.9
95.04967	1.8
103.03941	100.0
104.04288	0.9
105.04485	0.9
107.08582	0.7
113.13280	1.3
118.07791	0.4
119.08581	10.6
121.06503	25.5
122.06831	0.7
133.06476	0.5
133.08636	0.7
135.08028	0.6
147.08041	1.8
150.06772	0.6
159.11671	0.6
163.11194	0.5
165.09114	7.7
165.10457	0.7
182.04875	0.4
183.10152	0.4
191.10707	0.4
193.40968	0.4
209.11726	13.0
221.11876	0.5
227.12772	12.3
233.18976	2.1
267.11859	0.4
271.15454	1.4
277.21509	0.9
285.13336	16.4
286.13745	0.9
321.24255	0.8
338.02631	0.4
414.28342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.5
61.51421	4.8
67.05505	5.4
83.04996	5.8
91.05471	12.4
95.08644	5.0
115.03929	8.4
115.97649	6.0
117.07040	6.0
119.08574	100.0
139.03947	5.1
143.03410	6.7
151.07509	5.2
173.04915	5.2
174.17700	5.0
228.67143	5.0
231.13086	5.1
246.35127	5.5
280.25226	5.4
333.20633	5.8
355.05826	5.4
414.14304	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	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41721	0.7
53.03954	0.8
55.05518	1.1
57.07076	18.4
67.29658	0.9
69.07073	2.0
69.75556	2.2
71.08636	32.2
77.03938	1.6
81.07061	1.6
83.08633	0.9
85.10107	0.8
87.04486	1.5
89.06037	36.2
90.06403	0.8
90.31883	0.6
91.05472	6.7
93.07049	14.4
94.18875	0.7
95.04958	4.4
95.08607	1.2
103.05474	3.4
105.04524	2.4
105.07030	1.0
107.08611	1.3
109.10185	0.8
116.07539	0.8
119.04930	1.7
119.07748	1.6
119.08577	19.7
121.06509	57.0
122.06809	1.0
123.00219	0.8
133.08604	14.0
135.08043	0.9
136.44986	0.7
147.08031	4.3
163.11154	1.1
165.09113	20.7
165.10432	1.4
177.11205	4.9
183.10152	2.6
185.15387	2.3
209.11716	7.7
227.12914	1.3
247.20625	3.5
256.26401	1.7
271.15405	100.0
272.15732	4.9
291.23120	1.9
350.20465	3.2
397.29544	12.6
414.19333	0.8
414.39355	4.2
415.20428	2.0
415.29950	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	414.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.05512	15.2
57.06824	0.8
57.07081	14.0
58.06593	2.4
63.96751	0.5
67.05501	2.2
69.07069	25.7
69.07451	1.3
69.15356	4.2
71.08630	7.4
79.05507	0.8
81.07052	3.6
83.08619	20.6
85.10178	5.4
88.87216	0.6
93.07043	1.3
95.08610	3.3
97.10171	19.1
98.22710	1.4
102.05537	13.0
104.07106	100.0
105.07490	1.0
107.08579	1.5
109.10163	1.6
111.11721	6.8
119.08572	14.1
121.10145	1.3
123.11745	1.0
125.13268	3.7
132.23772	0.6
138.10214	0.6
139.14853	0.9
151.07516	2.2
154.78017	0.6
155.14328	0.7
163.14824	1.5
205.08678	1.4
275.27353	2.4
293.28397	8.9
364.32043	1.3
382.33127	0.9
391.17856	3.4
395.13278	0.7
396.34729	16.0
397.34921	1.2
409.19098	0.8
410.19620	0.8
414.35928	1.9
415.28534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66930	0.6
56.96566	6.6
69.82687	1.2
69.83049	1.4
90.35474	0.5
98.23494	0.8
98.97584	80.3
112.89563	0.8
114.89359	0.9
116.98623	30.3
130.93271	0.7
134.99666	6.8
136.94006	3.5
172.94394	4.2
190.95383	2.4
211.11153	0.7
214.95465	3.1
232.96437	5.1
238.06125	0.7
250.97556	2.3
256.96445	18.4
256.99017	1.2
274.97507	100.0
275.97961	3.2
292.98553	48.2
293.98862	1.3
297.99026	1.2
414.95392	5.1
432.96417	6.6
435.52756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.0
60.05649	2.7
61.52467	1.4
69.03417	7.2
70.06590	5.2
81.03417	2.8
84.49050	1.3
85.02901	6.6
85.03352	1.3
97.02881	13.1
98.97584	65.6
99.97927	2.3
101.00884	14.5
109.02883	3.6
113.00907	4.1
115.02457	3.1
115.03949	2.3
116.07047	1.7
116.98624	43.1
119.01924	25.5
120.18723	1.6
121.01705	1.5
127.02412	1.8
128.98621	2.6
130.93320	1.7
131.01912	15.0
134.99655	16.9
137.02960	3.6
139.02429	3.4
143.01883	9.4
145.03464	12.0
149.03023	2.2
149.38345	1.4
151.03862	1.6
153.00745	1.5
153.01823	43.4
155.01897	18.4
157.03474	6.6
161.02960	31.2
162.03120	1.6
162.92041	1.7
163.04578	1.6
167.01921	4.4
169.03421	3.5
172.94371	5.1
173.02957	24.8
174.97583	2.2
175.04539	2.1
175.11900	6.4
181.03485	2.8
183.01344	2.9
185.02968	25.5
186.03111	1.9
187.04478	1.7
190.95393	3.8
191.04082	4.0
192.99820	8.0
197.02939	10.6
199.04443	2.7
201.02396	1.8
203.03947	12.1
206.05865	1.4
209.02954	4.0
211.00883	65.8
211.04251	3.1
212.01122	3.8
214.95384	3.0
215.03981	3.0
219.01738	4.3
221.05054	4.6
223.04659	1.9
225.04134	2.4
227.04083	11.1
229.00092	1.1
229.01981	23.9
230.02014	2.2
232.96474	9.7
235.00935	20.5
237.02699	4.7
239.04039	2.9
241.15446	1.9
243.01428	1.7
245.02676	2.5
245.05092	39.9
246.05252	2.8
247.00839	6.0
247.03029	16.5
247.05167	2.0
249.02458	2.3
250.97450	2.1
251.04015	1.9
253.01926	50.9
253.04951	2.6
253.05620	2.5
254.02126	2.8
255.03600	2.1
256.96466	15.4
258.97253	1.8
258.99597	7.8
261.02557	2.3
263.03894	3.7
263.06174	10.6
265.01962	9.4
267.03561	4.0
271.03003	49.1
271.05981	2.6
272.03055	3.0
274.97507	100.0
275.97858	3.7
277.00806	7.3
279.03595	4.0
283.02991	6.2
283.06461	3.4
285.04684	3.3
289.04266	16.0
290.94601	2.4
292.98563	50.4
295.03033	10.6
297.04590	4.6
297.98938	1.7
298.97800	3.5
301.04266	7.9
307.02966	17.8
308.03091	2.0
311.06238	3.8
313.03976	23.2
313.07217	2.2
314.04477	2.8
315.05151	1.6
316.98782	4.1
319.02957	2.5
325.03946	13.6
330.96793	1.5
331.04868	1.9
337.03943	10.6
343.05121	5.4
355.05017	66.3
355.08801	4.9
356.05228	6.3
367.05038	4.4
373.05997	44.5
374.06116	3.0
390.99405	1.8
396.07874	3.1
397.05939	12.4
414.95480	3.2
415.06409	14.1
416.07346	2.1
432.96008	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.5
57.03433	4.1
57.67565	1.1
61.02927	8.3
65.03946	1.6
67.01878	1.1
67.05498	1.2
68.99794	14.7
69.03440	2.5
70.06589	2.4
70.76994	1.3
73.02913	1.4
77.03958	1.3
79.05485	3.6
81.03427	1.9
83.04999	1.8
85.02904	39.9
86.03259	1.4
87.00830	11.2
87.04511	1.0
91.05480	4.5
94.14200	1.0
95.04945	1.7
96.09472	0.9
97.02887	1.4
97.06534	1.5
103.03948	3.7
103.05470	5.7
105.01873	1.7
105.03408	4.0
105.04465	1.2
105.07028	2.1
106.04204	1.9
107.04945	3.9
109.02898	1.7
110.03642	2.0
111.04426	1.1
115.03929	1.1
115.05457	3.3
119.04945	8.7
119.08608	1.4
120.05765	1.2
121.02872	3.5
122.03647	1.1
125.06009	2.7
127.03975	1.2
129.01837	16.9
129.06961	1.6
130.04144	1.3
131.04916	16.7
133.02847	20.0
133.06483	1.2
134.03621	1.6
135.04442	2.3
137.06001	1.4
138.03125	3.5
139.03880	1.1
143.04924	4.5
145.02867	3.8
145.06433	1.2
147.02899	10.6
147.04424	14.5
148.05206	0.9
149.02353	4.2
149.05983	3.9
150.03116	15.9
151.03902	11.9
152.01068	1.4
153.05444	5.0
158.03618	2.1
159.04413	25.9
160.05110	2.4
161.02373	1.0
161.05971	2.7
162.03116	15.3
163.03860	7.4
164.04706	1.6
165.01830	1.0
165.05519	6.2
166.02644	4.7
167.03360	1.2
167.06989	1.1
171.03052	1.5
171.04431	2.9
173.02350	5.0
175.03900	11.3
175.07497	1.7
176.04681	15.9
177.01831	40.2
177.05421	19.8
178.02594	6.4
179.03395	16.7
179.07034	1.9
180.00563	4.2
181.04953	40.5
182.05414	1.3
186.03166	3.0
187.03902	22.0
188.04634	5.2
189.03938	2.5
189.05507	2.1
190.02631	7.5
191.03381	36.2
191.06943	5.3
192.04065	2.3
193.01427	1.3
193.04958	16.4
194.02100	8.8
195.02884	15.6
195.06622	1.3
197.04439	15.6
199.03883	9.0
201.05441	3.9
203.03427	6.3
203.07019	8.1
204.04166	22.6
205.04959	59.4
206.02151	4.7
206.05399	2.1
207.02875	8.2
207.06557	4.3
208.03552	1.7
209.04446	81.9
210.04767	2.5
211.02361	2.5
214.02676	3.8
215.03394	18.5
216.04103	7.4
217.04955	5.3
218.02069	5.0
219.02969	13.7
219.06494	28.8
220.06880	1.3
221.04414	23.0
223.02391	4.1
223.06039	5.9
229.04909	10.7
231.02888	3.9
231.06520	5.3
232.03661	11.9
233.04436	72.9
234.04898	2.3
235.05960	10.1
237.03894	3.1
239.05540	1.4
242.02115	1.1
243.02908	15.1
244.03595	2.3
245.04518	1.3
247.06007	60.8
248.06442	2.8
249.03932	2.2
249.07561	2.8
251.05504	89.9
252.05954	4.8
257.04422	12.2
258.04657	1.2
260.03091	9.4
261.03687	2.0
263.05551	7.4
265.07138	1.5
275.05490	100.0
276.05893	4.3
281.06522	3.6
284.02213	1.1
293.06543	68.0
294.06989	3.0
311.07706	4.8
339.13123	1.3
361.05515	16.5
371.15845	3.3
379.06580	11.0
397.07568	1.5
415.15451	5.8
415.19955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	1.7
69.03423	3.2
70.84207	2.2
83.43274	1.6
85.02901	6.1
98.97590	10.0
104.86558	1.5
105.07039	1.6
106.58145	1.7
107.08591	2.3
116.98639	6.4
118.36165	1.6
119.08626	2.6
133.10139	1.5
134.99628	1.9
139.03932	1.6
147.04376	2.4
153.01874	2.7
175.14867	1.5
235.16728	1.9
247.11703	1.7
251.05841	5.0
253.17825	1.5
254.47011	1.6
274.97607	5.1
373.66830	1.8
415.10028	100.0
415.15555	8.3
415.22702	3.3
416.10373	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1769
Annotation	chaetoglobosin L
Peak:m/z	Relative Intensity
55.05502	1.1
56.76760	0.8
57.07054	0.8
59.34796	0.8
69.07062	1.1
71.43394	0.9
78.04269	1.0
79.52090	0.8
83.08582	1.3
83.82535	1.0
85.51540	0.8
89.06035	2.5
91.05465	6.1
92.67296	0.8
93.07001	1.0
107.08567	1.7
117.07046	1.7
119.08574	86.0
120.08894	2.6
133.06497	1.2
133.08656	1.1
135.08029	1.1
191.32599	0.9
326.13608	1.0
333.17377	3.4
333.70255	0.9
355.15543	6.1
373.16605	9.3
397.16583	100.0
397.58075	0.9
398.16959	6.2
398.70358	0.8
415.17612	18.5
416.17545	1.7
438.19189	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	415.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64811	0.7
55.05512	5.6
67.05504	4.4
69.03421	0.9
69.07068	2.1
69.16517	1.8
69.16924	2.3
71.08607	1.9
79.31489	0.7
79.73914	0.6
81.07042	2.5
83.08603	2.4
91.05478	3.0
93.07051	1.3
95.08603	5.6
98.22710	1.5
99.08093	1.6
105.07020	1.3
107.08582	1.6
117.06997	0.9
119.08578	44.1
120.08910	1.4
123.08056	7.6
130.87155	0.7
133.06468	1.4
135.07997	1.1
137.05975	10.7
151.07533	100.0
152.07880	0.8
163.07559	2.9
165.09164	0.9
177.09088	10.7
191.10657	4.6
217.27812	0.7
219.13828	2.9
221.15385	5.2
250.66075	0.7
275.20026	0.8
345.27811	7.8
351.14838	1.5
369.15750	1.8
373.17624	2.8
373.27316	8.6
375.12289	0.7
375.90302	0.7
415.18991	3.4
415.28088	2.3
415.35599	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71111	0.6
55.05511	5.7
56.96560	2.3
57.07070	1.0
67.05505	4.1
69.07064	3.1
69.43144	3.0
81.07047	2.9
83.08616	2.3
86.15223	0.7
91.05490	3.0
93.07064	0.9
95.08606	6.2
97.10155	0.7
98.23013	2.5
103.44721	0.6
105.07011	1.1
106.42852	0.6
107.08617	1.0
109.10130	1.1
119.08583	42.1
120.08864	1.6
121.06470	0.8
123.08086	7.9
132.98933	0.7
133.06538	0.7
135.08057	1.7
137.05992	7.7
143.65529	0.7
151.07544	100.0
152.07846	0.8
157.93724	0.7
163.07561	2.0
167.20181	0.7
167.97313	0.8
177.09122	6.1
182.99646	2.4
191.10620	5.9
195.96762	3.3
197.98433	0.7
199.99916	1.7
201.00734	3.7
205.12224	1.3
207.13786	1.3
210.99202	1.5
213.00591	0.8
213.97824	3.8
215.99425	0.8
219.01770	0.9
219.13800	3.1
221.15358	4.1
223.96281	1.2
227.99445	2.0
229.00214	6.1
241.97137	1.5
247.01231	1.4
247.16905	1.3
270.22208	0.8
323.15109	2.1
333.13702	4.8
341.16296	2.4
345.27890	8.7
351.14761	25.7
352.15018	1.2
369.15836	33.8
370.16287	1.2
374.16449	6.4
387.17053	1.1
392.17441	4.0
415.20480	1.5
415.27872	4.6
415.35913	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	415.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.92538	0.7
71.44038	0.7
79.05476	0.8
81.07039	1.1
82.25359	0.7
82.64767	0.7
93.07033	1.3
95.08607	1.3
98.97601	3.2
99.73671	0.7
105.07005	1.0
107.15710	0.8
112.21399	0.7
116.98632	1.6
119.08592	1.7
127.03870	1.0
133.10129	0.9
145.10118	1.3
147.11673	0.9
159.11633	0.8
201.16354	2.0
214.01692	0.8
219.17342	0.9
227.55431	0.8
227.76566	0.7
251.27739	0.9
274.97556	5.2
292.98511	1.7
415.19366	100.0
416.19604	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	415.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14712	1.3
56.98774	1.2
57.07066	3.3
66.37460	1.3
67.05496	1.7
69.03412	1.5
69.07053	2.1
71.08619	1.4
71.44028	1.4
74.48541	1.2
81.89748	1.3
89.06025	3.3
91.05453	8.3
95.08618	2.4
103.55485	1.5
107.08610	2.0
117.07040	2.2
119.08581	100.0
120.08919	3.1
123.08051	1.5
137.05988	3.7
151.07570	16.7
151.09608	1.7
177.09128	2.9
198.18504	1.6
319.28531	3.0
351.14789	4.9
369.15814	3.8
415.23425	2.1
415.28458	3.4
415.35440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2306
Annotation	Trp Pro Leu
Peak:m/z	Relative Intensity
58.69931	0.4
69.60629	0.4
69.60962	1.3
79.05531	0.5
81.07027	0.5
85.02911	0.5
93.07047	0.7
110.17416	0.5
111.08078	0.6
112.45908	0.4
147.11751	0.4
161.05991	0.6
168.48721	0.4
177.12755	1.5
187.07541	0.5
197.86748	0.4
203.05470	0.5
219.05095	0.4
232.16121	0.4
235.16895	2.5
236.78963	0.4
253.17929	1.6
262.32059	0.5
310.78665	0.4
358.46359	0.4
388.80264	0.5
397.21991	1.2
398.37161	0.4
415.23016	100.0
416.23416	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	415.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48590	0.3
69.31160	1.0
69.31549	0.6
78.60547	0.3
79.05525	0.4
85.02895	0.9
93.07058	0.5
98.22716	0.6
98.42580	0.3
107.08603	0.4
111.08065	0.5
116.88530	0.3
119.08581	0.6
121.06570	0.4
145.10109	0.5
147.11717	0.4
177.12740	2.0
187.07581	0.4
203.05377	0.3
235.16920	2.5
253.17834	1.4
295.18869	0.4
385.21268	0.4
397.22073	0.8
415.22989	100.0
416.23322	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05861	1.1
54.59902	1.2
55.05515	2.0
69.07077	2.8
69.97526	3.5
70.87230	1.1
77.93106	1.3
78.88029	1.4
81.07043	2.5
91.05471	8.8
97.10183	1.8
107.08609	1.6
109.10159	1.4
117.07020	2.7
119.08580	100.0
120.08954	2.3
131.91733	1.3
133.06480	1.6
135.08046	1.7
155.01126	1.7
215.41988	1.2
257.26083	1.2
274.97702	1.5
280.96780	1.3
318.24860	1.7
415.24545	94.5
416.25024	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	415.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
57.92376	0.8
67.05506	1.3
69.07056	1.2
69.69724	2.1
69.70123	1.6
79.05500	0.8
81.07076	1.5
91.05477	2.4
95.79080	0.8
98.23194	2.6
109.10166	0.8
119.08569	18.0
122.14574	0.8
123.07243	0.8
123.08076	2.4
137.05989	3.1
138.29588	0.9
151.07542	33.7
158.59442	0.8
159.33415	0.9
163.07458	0.9
177.09123	3.9
191.10774	1.0
195.69955	1.0
219.13890	1.4
221.15343	1.8
345.27856	2.8
371.21902	2.0
372.22214	4.3
373.22537	21.1
415.24493	100.0
415.35486	4.4
416.24780	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	415.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85606	0.9
56.32933	0.9
67.11579	1.1
67.51842	0.9
70.95812	1.4
91.05489	2.9
119.08575	37.4
120.08915	1.4
140.05040	1.1
151.07565	3.7
200.55046	1.2
212.00432	1.0
212.20882	0.9
364.99329	1.1
369.24066	1.6
373.23389	1.6
385.27057	8.7
393.37112	1.1
415.28162	100.0
416.28445	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	415.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02285	0.8
55.05508	1.1
69.42995	2.1
69.43385	1.5
70.76937	0.8
80.68693	0.8
91.05479	2.7
95.08570	1.0
96.88359	0.8
98.22799	2.3
98.23447	2.0
101.48730	1.0
117.06988	1.5
119.08576	30.4
120.08902	1.3
137.05957	0.9
151.07564	7.9
212.61581	1.0
227.82639	1.1
254.51334	0.9
274.31268	1.0
415.28140	100.0
416.28448	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3569
Annotation	3,4-Dehydro-gamma-tocopherol
Peak:m/z	Relative Intensity
53.03940	0.2
53.37106	0.2
55.05511	4.0
57.07064	0.4
58.78960	0.2
63.96421	0.2
65.03922	0.3
67.05501	3.4
69.03416	0.3
69.07070	2.1
79.05465	0.8
81.07050	2.2
83.01351	0.2
83.08611	2.0
91.05441	1.3
93.07029	0.8
95.04993	0.4
95.08600	4.5
97.10160	0.8
105.07042	1.3
107.08595	0.4
108.05704	0.4
109.10168	0.7
111.11696	0.4
117.06990	0.3
119.08580	15.3
120.08887	0.7
123.08066	7.6
125.89575	0.2
135.08073	0.7
137.05968	5.0
139.07549	0.4
147.07956	0.3
149.09627	0.5
151.07535	100.0
152.07870	3.2
159.08025	0.4
163.07507	2.2
165.09134	1.3
177.09103	9.0
185.87659	0.2
191.10640	4.9
191.12221	0.4
193.12312	0.3
205.12244	0.9
207.13757	0.9
219.13786	3.9
221.15356	3.5
222.78053	0.2
233.15578	0.3
247.16971	0.7
261.18542	0.5
275.20084	0.7
289.21436	0.4
301.08380	0.2
332.01910	0.2
345.27863	9.0
346.28101	0.7
351.14603	0.8
369.16077	0.3
373.17947	0.4
374.12949	0.4
375.12454	0.9
415.18774	1.0
415.28223	1.0
415.35672	9.9
416.36185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3572
Annotation	3,4-Dehydro-gamma-tocopherol
Peak:m/z	Relative Intensity
55.01334	0.2
55.05511	4.9
56.96558	0.3
57.07064	0.6
58.93699	0.2
61.92917	0.3
67.05497	3.2
69.03436	0.4
69.07066	3.1
69.36697	1.3
70.06553	0.3
71.08638	0.4
79.05492	0.8
81.07048	2.1
83.01359	0.6
83.04942	0.2
83.08614	2.1
84.57420	0.2
84.90218	0.3
89.06044	0.6
91.05480	1.8
93.07034	0.6
95.04962	0.3
95.08601	5.6
95.09203	0.3
96.30054	0.2
97.10167	0.9
98.22649	0.4
98.23235	1.0
103.05475	0.4
105.07001	1.2
107.08569	0.3
108.05709	0.6
109.06505	0.5
109.10148	0.9
111.11713	0.4
112.07588	3.1
113.07946	0.6
117.05497	0.4
117.07003	0.3
119.08575	19.6
120.08903	1.0
121.06512	0.3
123.08064	8.7
123.11659	0.5
135.08070	0.8
137.05962	6.1
139.07538	0.6
147.08040	0.3
149.06017	0.3
151.07533	100.0
152.07866	3.4
159.08105	0.3
161.05885	0.3
163.07507	1.9
165.09106	1.0
166.16763	0.2
177.09102	7.6
178.09424	0.5
191.10660	5.0
193.19580	0.3
195.96907	0.3
201.00700	0.5
205.12260	1.0
207.13789	0.8
210.99452	0.2
219.13794	3.3
220.58850	0.3
221.15341	4.3
229.00186	0.6
229.95708	0.3
235.16776	0.3
247.16962	1.2
254.15721	2.8
255.15962	2.9
256.15649	0.3
261.18500	0.5
275.19925	0.3
319.28549	0.3
333.13705	0.3
345.27856	9.1
346.28333	0.7
351.14737	2.2
369.15759	2.5
374.16360	0.5
393.31638	0.3
397.24033	0.5
415.20605	3.1
415.28339	1.7
415.35648	8.6
416.20654	0.5
416.36246	0.7
435.95193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05513	0.4
57.03431	0.3
61.02934	0.2
63.54557	0.2
69.03427	1.0
70.71202	0.5
71.05006	0.3
79.05488	0.8
81.03415	1.0
81.07058	0.3
82.10381	0.2
85.02897	2.6
85.06560	0.2
87.00816	0.9
91.05476	4.1
93.07046	1.1
95.04951	0.3
95.08599	0.5
97.02892	1.0
97.51160	0.2
99.04485	0.6
103.05427	0.3
105.01882	0.6
105.07025	21.3
106.07378	0.5
107.08604	0.6
108.04465	0.6
109.02878	0.8
109.10160	0.8
115.05428	0.3
117.06973	1.3
118.07806	1.3
119.08622	0.4
125.02396	0.3
126.05509	0.3
127.03909	1.4
129.06982	0.4
131.08560	2.3
133.10121	100.0
134.10452	3.6
143.03352	0.4
145.04941	0.6
145.06554	0.3
145.10139	1.3
147.11679	1.2
150.12781	0.5
159.02875	0.5
159.11742	0.7
161.13277	0.5
167.07121	0.3
175.11179	0.7
180.09247	0.2
189.03957	0.3
191.06921	0.3
199.11176	0.6
201.16364	2.4
217.12108	0.3
219.17453	1.5
223.11116	0.4
237.18243	0.4
241.12433	0.4
246.03577	0.3
248.07730	0.3
343.25500	0.2
393.79630	0.2
416.28867	0.3
417.19095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51543	0.1
53.03937	0.2
55.05515	0.2
57.03446	0.2
61.36704	0.2
67.05487	0.3
69.03421	0.6
69.80801	0.4
71.05052	0.2
73.02885	0.1
76.98759	0.1
77.03970	0.2
78.43406	0.1
79.05490	0.4
81.03417	0.5
81.07072	0.2
82.15883	0.1
85.02899	1.5
87.00826	0.5
91.05486	1.8
93.07042	0.5
95.04973	0.3
95.35677	0.1
97.02884	0.4
98.23404	0.2
105.01864	0.6
105.07028	6.3
106.07391	0.2
107.08572	0.3
108.04507	0.2
109.02872	0.4
109.10188	0.2
115.05448	0.6
117.07031	0.7
118.07777	0.6
119.08591	0.2
126.85934	0.1
127.03925	0.6
131.08569	1.7
133.10127	100.0
134.10451	3.1
135.11768	0.2
145.04947	0.3
145.10141	0.4
147.11693	0.5
150.12770	0.2
159.02901	0.2
159.11664	0.2
163.11130	0.2
167.06993	0.3
175.11223	0.5
181.25323	0.2
201.16338	0.7
219.17459	0.5
231.05016	0.3
241.12222	0.3
332.30615	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	416.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
54.32024	0.1
55.05510	0.2
69.03428	0.2
69.77975	0.4
79.05488	0.4
85.02903	0.5
87.00808	0.1
91.05475	1.5
93.07054	0.4
97.02891	0.3
105.01864	0.4
105.07030	6.2
107.08582	0.3
115.05452	0.5
117.07042	0.4
118.07816	0.7
127.03903	0.5
128.84724	0.1
131.08574	1.7
133.10129	100.0
134.10457	3.1
134.51741	0.1
145.04936	0.2
145.10115	0.2
150.12730	0.3
167.07024	0.1
168.78432	0.1
201.16394	0.3
218.40062	0.1
231.04980	0.2
241.12224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
65.89213	0.2
67.05494	0.5
69.03419	0.5
79.05488	1.0
81.03426	0.6
81.07060	0.8
85.02920	1.2
86.06058	0.6
87.00846	0.5
87.04463	0.8
91.05482	2.6
93.07046	1.3
95.04947	0.3
95.08592	0.7
97.02901	1.3
102.09202	0.3
104.07108	1.4
105.01809	0.4
105.07033	13.5
106.07346	0.3
107.08615	0.6
109.02882	0.3
109.10149	0.3
117.07025	0.3
118.07789	0.8
119.08601	0.4
121.10140	0.4
127.03895	0.4
131.08548	1.5
133.10132	100.0
134.10458	3.6
135.11757	0.3
145.04939	0.3
145.10126	1.1
147.11652	0.5
150.12779	0.6
159.11726	0.6
161.13268	0.3
167.07082	0.7
173.13318	0.3
175.11203	0.5
181.04988	0.4
191.07048	0.3
201.16360	1.5
219.17479	0.9
281.70511	0.3
416.33737	0.5
429.21375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.6
69.03414	0.8
69.52531	1.6
69.52912	2.1
71.04966	0.8
71.08626	15.5
81.07054	1.4
85.02896	1.6
93.07027	0.9
93.64320	0.7
95.08595	3.1
99.08083	12.0
105.07047	1.0
107.04962	0.9
119.08595	1.2
121.06446	0.8
121.10080	0.8
125.06026	1.5
126.97044	0.6
135.08084	0.8
137.05949	8.2
138.06291	0.7
139.07521	14.9
140.63397	0.6
145.10091	1.1
151.07530	1.2
159.11668	0.7
161.13254	1.0
163.07529	9.5
167.07059	3.0
174.90846	0.7
177.09102	2.9
181.04926	1.1
188.95648	0.7
201.16356	2.3
219.13734	2.6
219.17447	1.3
237.14835	100.0
238.15184	5.7
241.70351	0.7
280.05356	0.7
354.10715	0.6
355.46991	0.7
393.43216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10954	0.4
55.05517	0.8
61.26978	0.4
67.05498	1.1
69.03423	0.9
69.07042	0.6
69.15608	1.0
69.16012	2.1
71.04988	1.0
73.59201	0.4
81.07049	1.1
83.01344	0.9
85.02906	2.7
85.12465	0.4
91.05492	0.9
93.07029	1.4
95.08602	6.7
97.02887	1.1
98.22657	0.7
105.07058	0.8
107.08581	1.2
109.06505	1.1
113.09635	2.7
119.08531	0.7
121.06503	0.9
121.10101	0.9
123.04441	0.5
125.05975	3.3
131.08569	1.1
135.08043	1.5
137.05972	36.5
138.06354	1.2
145.04926	0.5
145.06435	0.6
145.10106	1.5
149.05951	0.6
149.09689	0.5
151.07559	1.7
159.11633	0.8
161.05980	1.0
163.07538	20.3
163.11183	0.7
164.07964	0.9
177.09116	4.8
177.12688	1.1
186.38179	0.4
187.07651	0.4
201.16373	1.4
219.13779	5.7
219.17470	1.6
237.14844	100.0
238.15199	5.3
261.14819	2.3
303.15906	2.8
327.15906	0.5
429.29376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05508	3.8
57.03421	1.2
57.07063	0.8
61.02929	1.0
67.05500	9.8
69.03427	3.5
69.03803	0.7
69.07072	2.4
69.90006	2.9
71.04964	0.8
71.08631	14.7
77.03925	1.0
79.05498	9.6
81.03410	1.4
81.07057	18.1
81.07505	1.3
83.08630	1.3
85.02900	8.8
91.05479	13.2
93.07048	16.1
95.04982	2.5
95.08611	21.7
97.02895	2.9
98.22786	0.9
99.08097	9.8
103.05481	1.2
105.04507	1.1
105.07028	27.2
107.08592	15.5
109.02907	0.9
109.10146	8.1
115.05405	1.3
117.07027	10.6
119.08582	16.0
121.06525	6.0
121.10138	7.1
123.11723	1.9
125.06010	2.6
126.84261	0.9
127.03884	1.7
129.06955	1.0
130.07773	2.1
131.08572	17.5
131.09586	0.9
133.10121	9.5
135.11679	3.4
137.05981	14.9
139.07542	11.2
143.08580	2.5
144.09351	1.4
145.04936	1.9
145.10130	30.4
146.10559	1.2
147.11700	4.8
148.14627	0.8
149.13301	1.4
151.07596	1.0
153.05493	2.6
157.10133	1.9
159.11699	19.2
161.13252	7.1
163.07541	10.9
167.07011	3.1
169.08612	3.7
173.13268	6.5
175.02571	0.8
175.14842	2.6
177.09117	4.1
181.04924	0.9
189.16406	1.8
191.06949	0.8
191.17966	1.9
199.14775	1.1
201.16382	40.1
202.16783	1.1
203.17979	1.0
211.05934	0.8
218.16188	1.3
219.14159	3.8
219.17458	14.2
221.46617	0.9
237.14847	100.0
237.18645	3.1
238.15134	6.8
255.19513	0.8
264.03494	0.8
331.81750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.4
56.68221	3.7
70.58760	4.6
71.05000	7.5
79.52543	4.0
81.07030	5.5
85.02911	6.6
93.07061	7.6
95.08601	8.8
105.07027	5.4
107.08585	14.2
109.10185	11.3
119.08606	6.2
120.31788	3.5
121.10162	15.3
125.09634	63.6
127.11205	20.4
133.10170	4.7
135.11684	6.0
143.10696	9.0
145.10138	16.1
147.83032	4.2
159.11674	8.5
161.13361	4.9
167.07060	5.5
185.57123	3.7
192.08597	4.0
199.91588	3.8
201.16289	21.5
219.17447	100.0
237.18474	53.9
241.63574	3.8
376.27835	4.3
398.86960	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	416.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
53.59882	2.1
55.05513	9.8
57.03428	3.6
57.07077	3.2
61.02908	4.0
61.94098	2.2
67.05502	28.1
69.01357	2.5
69.03413	9.2
69.07068	9.8
70.69628	4.3
71.04988	5.4
79.05487	29.5
81.03421	4.6
81.07053	59.0
83.08629	3.0
85.02902	30.8
91.05478	47.9
93.07044	39.2
95.04962	3.8
95.08601	44.6
97.02868	5.5
97.10162	7.5
105.07029	50.6
107.08596	34.5
109.02824	2.3
109.06506	13.6
109.10160	24.4
117.07022	13.3
119.08567	54.1
119.23787	2.9
121.10144	22.2
123.08068	5.1
127.03925	7.4
131.08585	24.9
133.10147	17.8
135.08031	3.8
135.11682	38.1
137.05931	5.3
137.09645	4.1
145.04985	5.8
145.10121	39.4
147.11674	100.0
148.12018	6.4
149.13277	21.9
157.10149	3.2
159.11711	25.4
159.19142	2.4
160.12064	2.8
161.13187	6.0
163.07529	3.4
163.11171	4.7
163.14803	3.2
165.12753	16.9
173.13257	9.3
175.14836	6.8
186.14114	2.6
189.16426	4.4
191.17941	20.4
193.34523	2.9
201.16388	53.5
203.44058	2.5
218.16226	2.8
219.17433	30.1
236.17253	5.3
237.18565	2.6
254.18269	2.5
255.19525	2.5
318.70682	2.4
322.11139	2.4
416.23367	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	416.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.0
57.03423	3.6
57.41716	2.0
58.31671	2.1
61.02917	4.6
67.05506	16.6
69.03432	11.5
69.07053	6.0
70.02042	7.3
70.06593	3.0
71.04999	2.8
71.08640	2.4
73.25286	2.2
79.05505	16.0
81.07051	37.9
83.05003	3.7
85.02902	35.5
87.04412	2.3
91.05463	20.3
91.11507	2.3
93.07047	35.8
95.04964	6.5
95.08607	47.5
97.02882	9.3
99.04465	3.4
105.07025	49.2
107.08588	38.5
109.02926	2.0
109.06532	2.9
109.10152	20.0
111.08095	3.9
115.03885	3.1
117.07056	11.0
119.08578	38.8
121.10136	19.3
123.08105	3.2
123.11696	2.9
125.09624	2.5
127.03922	7.6
129.06978	3.3
130.07774	3.7
131.08563	32.6
133.04977	4.6
133.10127	23.4
135.11720	13.9
136.12070	2.4
143.08548	2.9
144.09335	3.9
145.04938	9.2
145.10121	68.7
147.11699	17.9
149.09637	2.9
149.13249	3.6
159.11693	48.3
161.13251	25.1
163.11180	4.0
169.78175	2.3
173.13260	16.2
175.14819	9.0
179.05453	3.7
189.16403	10.0
191.17996	5.2
201.16380	100.0
202.16666	4.1
203.17963	24.3
207.17508	3.1
219.17447	56.8
237.18515	17.9
237.29944	2.0
238.62781	2.8
342.24371	2.0
416.14920	2.7
416.20081	5.1
416.26492	7.8
417.11981	3.0
417.16891	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	416.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86525	2.3
57.03442	3.1
67.05504	19.5
69.03429	4.4
69.07070	8.7
70.03595	7.5
75.21671	2.8
75.60352	2.7
79.05489	12.8
81.07054	31.3
83.04990	2.8
84.91199	2.3
85.02901	18.7
88.68102	2.1
91.05473	19.0
92.05795	2.8
93.07045	37.0
95.04985	6.0
95.08604	43.9
97.02908	3.2
105.07034	55.1
107.08590	33.5
109.02873	4.3
109.10165	15.9
111.08087	3.2
117.07023	13.3
119.08585	36.5
121.06482	2.7
121.10148	17.1
123.08069	3.0
127.03909	2.8
131.08575	28.5
133.10123	19.0
135.11691	13.2
144.09337	4.3
145.05000	6.0
145.10124	67.5
147.11725	15.3
149.13306	4.9
157.10179	3.3
159.11700	41.9
161.13261	20.8
163.11201	5.9
167.07054	11.5
173.13260	16.5
176.08188	2.6
181.04979	10.1
189.16313	3.9
191.06946	3.2
191.17931	3.0
201.14481	4.7
201.16386	100.0
202.16725	3.0
212.30592	2.5
212.63721	2.9
219.17447	47.0
219.51846	2.7
237.18480	7.2
262.58890	2.3
416.14365	3.7
416.27884	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	416.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
57.07077	75.1
59.05003	3.7
66.65555	0.7
67.05495	1.6
67.90065	0.8
69.03441	1.1
69.07063	5.0
71.08621	4.3
73.02946	0.7
73.06553	2.4
76.92785	0.8
77.03913	1.0
81.07059	1.9
82.53875	0.8
83.08625	4.5
85.10183	0.8
87.04469	100.0
88.04793	1.4
89.06026	3.6
91.05470	10.5
93.07044	9.2
95.04979	4.1
95.08615	3.1
97.10177	2.2
98.23589	0.6
103.05453	1.9
105.04527	1.2
105.07030	3.1
107.04942	2.2
107.08616	4.9
109.06545	1.2
109.10137	1.6
111.11707	1.6
113.13284	2.9
117.07054	3.6
117.09157	1.1
118.07851	1.0
119.04946	3.3
119.06125	1.1
119.08569	9.7
120.08890	4.6
121.06512	28.4
123.11691	1.4
125.13268	0.9
131.07037	19.6
133.06485	2.1
133.10129	1.5
135.08054	19.9
139.14844	0.9
145.06488	12.8
147.08057	7.9
149.13232	1.2
150.06761	1.0
161.09659	2.4
163.07532	8.8
165.09128	5.9
171.12822	0.8
179.10699	2.8
183.10159	6.8
189.09135	2.2
192.76704	0.8
207.10194	3.3
209.11662	1.0
214.89885	0.7
228.94548	0.9
232.63084	0.7
233.11804	1.1
233.19061	3.6
235.24261	2.6
243.52721	0.7
247.20581	10.4
251.12772	26.3
252.13136	1.7
257.19034	6.8
275.20087	6.6
277.21640	2.9
301.21902	2.7
318.24646	1.6
319.22672	2.6
335.27121	1.4
363.25293	18.0
364.25879	1.9
398.29034	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	416.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.4
59.88831	0.2
60.08654	0.2
68.05014	0.3
69.07072	0.5
69.89241	0.9
70.06590	100.0
71.06927	1.6
81.07043	0.4
89.06025	0.6
92.05825	0.4
95.08607	0.3
98.22780	0.3
107.08588	0.4
112.07600	37.9
113.07934	0.6
119.08584	2.8
120.08875	1.7
151.07526	0.5
151.09607	0.5
234.82944	0.3
252.66122	0.4
292.03030	0.3
319.28299	0.8
388.40427	0.3
416.35895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35862	1.9
51.64388	1.5
55.05515	31.3
56.05846	1.6
57.07066	5.6
67.05514	13.0
69.07065	31.3
69.11873	1.5
69.19762	4.9
69.20183	5.6
70.06593	7.3
71.08630	3.8
79.05481	4.2
81.07047	14.0
83.01346	7.1
83.08630	13.1
85.10202	1.6
86.06049	6.1
88.88224	1.7
89.06010	4.9
91.05482	6.1
95.08613	12.7
97.10170	7.8
98.23267	6.7
105.07030	3.5
107.04948	3.3
107.08595	2.6
109.10137	5.9
112.07623	3.7
113.09169	1.8
115.05457	1.9
117.07021	2.6
119.08569	20.6
120.08889	12.0
121.06486	5.8
123.08061	6.1
123.11745	2.6
124.08436	3.8
125.05990	1.9
131.08566	2.1
135.08069	5.9
137.05988	19.2
138.06345	2.8
145.06473	9.6
147.08032	5.0
149.05981	2.9
149.09604	4.5
151.07539	100.0
151.09648	5.6
152.07878	44.2
153.17873	1.7
159.08072	6.9
161.05980	17.4
162.06807	3.2
163.07536	48.0
164.07919	3.0
165.09000	2.3
173.05995	3.8
175.07549	37.8
176.04724	7.3
176.07982	2.5
177.09103	51.1
178.09460	7.1
187.07578	2.8
189.09148	5.6
190.06296	2.3
191.07030	54.7
191.10663	9.4
192.07510	1.8
192.10992	3.1
193.08629	13.3
203.07019	48.1
203.10649	3.1
205.08604	36.0
206.09158	1.7
217.08537	2.3
217.12259	4.0
219.13792	3.1
220.14189	3.4
221.15392	4.0
222.15802	2.9
231.10185	5.8
231.46037	1.8
233.11566	2.6
245.11754	6.6
259.13242	2.0
297.11197	1.7
315.26947	1.9
319.28452	7.0
345.27908	2.2
346.28226	13.4
352.15146	5.3
357.27789	7.5
370.16187	4.4
371.29471	28.6
371.81912	2.1
372.29852	2.1
381.28043	5.2
399.28931	51.5
400.29016	3.2
416.24921	7.0
416.31519	35.5
416.36249	12.1
417.31265	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	417.1545
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
55.01871	1.3
55.05524	0.7
57.93837	0.6
62.01594	0.6
62.47060	0.6
65.03944	5.1
67.05515	3.7
67.62325	0.6
69.03436	2.7
69.07074	1.6
69.41419	1.1
69.41757	2.7
78.04723	1.8
79.05476	5.4
81.07056	3.5
82.04201	1.9
85.02903	6.2
85.06612	0.7
87.00866	0.7
91.05479	4.8
93.03436	1.5
93.07053	6.1
95.04975	3.8
95.08622	3.2
96.08961	0.9
97.02912	1.0
97.06532	2.0
98.22752	1.4
102.04672	1.2
103.05470	23.8
105.03405	1.9
105.04515	0.9
105.07031	7.5
105.73428	0.6
106.04163	1.7
107.04951	6.4
107.08603	4.4
107.51003	0.6
108.02094	1.1
109.10172	2.2
110.03668	2.4
111.04475	1.7
111.11767	0.7
115.05458	4.9
117.07018	7.0
118.04177	6.3
119.04941	1.7
119.08608	3.3
120.05721	1.4
121.06475	1.3
121.10118	1.7
123.04415	8.8
123.11726	1.1
124.05216	2.3
125.06004	2.2
127.03935	0.8
128.06200	0.9
129.07019	1.0
130.04140	2.0
131.04933	19.5
131.08611	1.5
132.05728	0.9
133.02859	2.7
133.06480	3.9
133.10126	2.9
134.03615	1.6
134.10492	0.7
135.04408	1.1
135.08014	1.8
135.11687	2.4
137.05943	1.8
138.03171	1.6
142.02635	0.9
143.04906	1.1
144.05688	1.3
145.06480	9.5
145.10135	2.0
146.03645	1.4
146.10487	1.4
147.04492	0.9
147.08061	1.3
147.11679	2.9
148.05190	13.4
149.05913	1.3
151.03935	0.9
152.04697	2.7
153.05496	4.5
155.06030	3.7
157.06476	1.0
159.07977	0.9
159.11649	1.3
161.05974	1.6
162.06696	0.6
163.07538	20.3
167.07036	100.0
168.07407	2.4
171.06544	5.2
173.05971	16.5
175.07581	1.9
175.14815	1.5
176.04660	2.6
177.05426	1.1
181.04955	83.7
182.05251	2.2
187.07533	2.2
191.07031	74.1
192.07349	2.4
193.08603	1.8
195.06503	1.8
201.05426	1.2
201.16371	2.0
202.16705	1.9
203.06905	0.8
203.17957	6.1
205.08559	3.6
207.06448	0.9
207.10117	1.2
209.08076	2.0
217.08652	1.3
219.10214	2.8
219.17439	1.4
221.18993	2.5
233.08101	7.6
234.08743	0.7
235.07527	1.2
235.09595	5.2
241.67039	0.7
245.08003	1.3
247.07524	0.6
263.09146	4.6
267.10229	1.4
267.13748	0.8
271.13303	1.0
281.08148	1.0
287.09052	0.9
295.09998	0.8
295.13043	0.7
297.11298	1.0
297.15320	0.7
303.72745	0.6
307.09714	0.8
325.10614	1.2
339.12051	0.9
357.13370	1.6
357.74170	0.7
367.11652	1.0
381.13116	1.1
385.12784	4.3
387.14365	11.2
388.14462	0.8
399.14291	1.2
417.15204	32.3
418.15530	2.1
438.95993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03959	1.7
55.01870	1.5
55.05512	2.5
60.46519	0.9
65.03941	4.0
66.04724	1.3
67.05506	5.7
68.99786	1.0
69.03428	1.6
69.07084	2.5
70.05734	2.5
78.04707	2.9
79.05500	3.8
79.21995	1.0
81.07059	5.9
82.04209	1.8
83.08616	2.1
85.02891	7.1
87.27971	0.9
91.05492	3.7
91.54829	0.9
93.07050	5.0
95.04978	2.2
95.08601	7.1
97.02898	1.5
97.06547	1.8
100.11269	2.9
103.05470	11.9
105.03374	1.2
105.07045	7.3
106.04158	1.7
107.04964	4.9
107.08582	6.0
109.10162	4.3
110.03662	2.4
111.04424	1.9
115.05463	4.2
117.06997	7.5
118.04157	3.9
118.07397	1.1
119.04936	1.5
119.08542	4.9
121.06504	1.6
121.10143	4.0
123.04416	7.0
124.05244	1.9
125.05973	1.9
131.04930	11.2
131.08575	2.3
133.02858	1.5
133.06516	2.2
133.10143	2.9
134.03577	1.6
135.11653	2.5
145.06474	6.3
145.10135	4.3
146.10428	1.8
147.11714	2.9
148.05202	6.2
151.03925	2.6
152.04692	2.3
153.05487	4.0
155.06018	2.3
159.11633	2.5
161.05936	1.7
161.13275	2.2
162.13629	1.4
163.07545	14.1
163.11320	1.2
163.14771	1.2
167.07027	100.0
168.07433	3.1
168.13855	1.1
171.06552	4.1
173.05991	16.9
175.07660	1.5
176.04646	1.1
181.04942	57.3
182.05240	2.2
187.07553	1.4
191.07019	40.4
192.07512	1.7
195.06554	1.3
196.13339	1.2
201.16383	2.2
202.16711	3.0
203.05298	1.5
203.17946	17.4
205.08644	3.4
219.17432	3.4
220.17798	2.5
233.08073	6.6
235.07573	1.1
235.09679	4.2
237.18527	1.4
263.09167	2.8
267.10349	1.5
355.11636	1.3
357.13187	1.3
385.12909	2.4
387.14426	14.2
399.14429	1.5
416.28955	5.4
417.14566	28.2
417.19650	7.4
417.28839	7.2
418.15793	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	417.1731
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.05519	0.2
69.03396	0.3
69.07027	0.3
69.71307	0.5
69.71668	0.4
72.08156	1.2
73.06523	0.3
74.06071	0.3
81.07047	0.5
85.02903	0.8
87.08104	0.4
95.08591	0.3
105.07008	0.5
107.08580	0.4
107.47404	0.2
119.08607	0.3
121.10123	0.4
129.94273	0.2
131.08505	0.2
133.10201	0.2
143.08614	0.3
145.10060	0.7
161.05972	0.4
177.05664	0.2
189.09142	0.6
201.16391	0.4
219.13870	0.3
219.17447	0.5
221.11597	1.2
237.14854	0.4
239.75555	0.2
255.12039	3.7
293.71860	0.3
343.13687	0.3
417.17264	100.0
418.17618	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	417.1737
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
53.03954	0.7
55.01871	0.4
55.05504	1.3
57.03436	0.5
67.01855	0.5
67.05490	1.3
69.03426	2.2
69.07071	2.3
71.04991	1.3
71.43898	0.4
71.44284	0.5
73.02906	0.9
79.05481	1.5
81.03402	1.5
81.07045	2.7
83.04982	0.7
85.02906	3.9
86.09701	0.5
87.00846	1.1
91.05481	1.2
93.07028	2.1
95.04945	0.5
95.08613	1.7
97.02898	1.5
97.06532	1.6
99.04417	0.7
105.01881	0.7
105.07037	1.6
107.08607	1.0
109.02870	1.6
109.06538	0.6
109.10159	1.3
111.04436	0.5
111.08103	0.7
117.06979	0.5
119.08595	1.2
121.02860	2.6
121.10165	2.9
123.04404	1.0
123.11714	1.5
127.03901	3.8
127.11186	0.8
131.08551	0.8
133.10127	1.2
135.04465	0.5
135.11670	0.4
139.03958	2.4
145.04962	1.2
145.10126	1.4
149.02348	4.7
149.09630	1.8
149.13300	0.4
149.55721	0.5
151.03941	2.2
151.11201	1.9
153.05460	2.9
155.10699	0.5
159.02914	0.7
159.34879	0.4
161.13242	0.9
163.03934	0.6
163.11153	0.6
167.07059	1.8
169.04965	11.8
169.12154	0.7
170.05231	0.6
179.03397	0.5
181.04938	1.9
191.03433	0.4
201.16457	0.9
204.50999	0.4
219.17439	1.6
221.08099	1.9
231.05066	0.7
233.08139	0.5
237.18443	0.9
238.21301	0.4
239.12732	0.5
260.09103	0.7
285.13049	0.5
301.11691	0.5
305.53339	0.5
373.18423	1.4
417.17303	100.0
418.17606	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	417.1757
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
51.02379	0.5
51.30415	0.3
51.71849	0.3
53.03938	0.7
55.05513	1.2
57.03444	2.7
59.93386	0.4
65.03920	0.5
67.05499	1.3
67.07309	0.4
67.46114	0.3
69.03442	2.7
69.07074	0.5
71.01366	0.5
73.02927	1.3
75.04465	1.8
77.03928	0.8
77.51926	0.4
79.05493	9.7
79.05951	0.7
81.07049	3.4
85.02906	5.2
86.58225	0.4
91.05479	9.3
93.07046	34.9
94.07372	0.7
95.01337	3.2
95.04942	2.5
95.08598	3.9
97.02894	1.1
97.06514	0.5
99.00793	0.6
103.05456	2.0
105.04506	0.6
105.07032	20.6
106.07857	0.9
107.04933	0.4
107.08596	5.6
109.06515	1.6
109.10177	1.4
111.08067	1.2
113.02395	1.8
115.05435	0.4
116.06248	1.2
117.07041	0.7
119.08580	5.7
121.06528	2.4
121.10144	100.0
122.10472	3.0
123.08066	2.4
123.11697	0.6
127.03912	0.6
129.06961	0.6
131.03491	0.5
131.07053	0.7
131.08578	6.7
133.07613	2.4
133.10127	1.3
135.11775	0.7
137.05913	0.4
139.11176	0.9
141.01834	5.7
145.10120	2.9
147.11674	1.5
149.09616	73.2
150.09982	2.8
153.01773	0.7
159.02878	0.9
159.11702	1.8
161.13246	1.0
163.11240	0.4
165.12759	0.6
167.10701	7.8
168.10953	0.4
169.09787	0.4
190.66759	0.4
194.04214	0.4
201.16423	4.0
215.05516	0.5
219.17406	2.0
223.13309	1.6
237.18445	1.4
241.12086	0.4
241.14354	4.7
247.06000	0.4
255.19522	1.5
279.01035	0.4
325.12875	1.8
373.86768	0.4
399.16629	0.5
400.75006	0.4
417.16580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
51.30415	0.3
51.71849	0.3
53.03938	0.7
55.05513	1.2
57.03444	2.7
59.93386	0.4
65.03920	0.5
67.05499	1.3
67.07309	0.4
67.46114	0.3
69.03442	2.7
69.07074	0.5
71.01366	0.5
73.02927	1.3
75.04465	1.8
77.03928	0.8
77.51926	0.4
79.05493	9.7
79.05951	0.7
81.07049	3.4
85.02906	5.2
86.58225	0.4
91.05479	9.3
93.07046	34.9
94.07372	0.7
95.01337	3.2
95.04942	2.5
95.08598	3.9
97.02894	1.1
97.06514	0.5
99.00793	0.6
103.05456	2.0
105.04506	0.6
105.07032	20.6
106.07857	0.9
107.04933	0.4
107.08596	5.6
109.06515	1.6
109.10177	1.4
111.08067	1.2
113.02395	1.8
115.05435	0.4
116.06248	1.2
117.07041	0.7
119.08580	5.7
121.06528	2.4
121.10144	100.0
122.10472	3.0
123.08066	2.4
123.11697	0.6
127.03912	0.6
129.06961	0.6
131.03491	0.5
131.07053	0.7
131.08578	6.7
133.07613	2.4
133.10127	1.3
135.11775	0.7
137.05913	0.4
139.11176	0.9
141.01834	5.7
145.10120	2.9
147.11674	1.5
149.09616	73.2
150.09982	2.8
153.01773	0.7
159.02878	0.9
159.11702	1.8
161.13246	1.0
163.11240	0.4
165.12759	0.6
167.10701	7.8
168.10953	0.4
169.09787	0.4
190.66759	0.4
194.04214	0.4
201.16423	4.0
215.05516	0.5
219.17406	2.0
223.13309	1.6
237.18445	1.4
241.12086	0.4
241.14354	4.7
247.06000	0.4
255.19522	1.5
279.01035	0.4
325.12875	1.8
373.86768	0.4
399.16629	0.5
400.75006	0.4
417.16580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1885
Annotation	Asn Phe His
Peak:m/z	Relative Intensity
66.40385	0.3
67.05495	0.3
70.70122	0.4
72.67960	0.3
75.27486	0.3
79.05507	0.4
81.07056	0.8
83.08595	0.3
85.02905	1.0
93.07052	0.9
95.08607	1.2
96.08972	0.3
103.05518	0.3
105.07027	1.2
107.08573	0.7
109.10165	0.8
117.07044	0.3
119.08602	0.9
121.10133	0.4
123.05610	0.3
127.03966	0.4
130.06543	1.5
131.08627	0.3
133.10147	1.0
134.10551	0.6
135.11685	0.7
137.05936	0.3
145.10155	1.2
146.10497	0.4
149.13249	0.3
159.11708	0.8
167.07048	0.3
170.06001	0.3
175.14850	0.4
201.16406	1.6
202.16731	1.6
207.53023	0.3
219.17447	1.1
220.17773	1.2
237.14932	0.3
237.18440	0.5
242.09251	0.6
255.19547	0.7
269.08057	0.5
269.89752	0.3
353.13937	0.6
417.18832	100.0
418.19183	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	417.2041
Annotation	Kopsifoline C
Peak:m/z	Relative Intensity
59.06340	20.5
69.67977	69.4
71.47346	18.4
81.07067	22.5
85.31907	15.5
119.08580	32.0
130.61497	19.9
143.10677	17.3
146.56432	16.9
176.98029	19.7
219.70671	17.5
417.20319	100.0
417.37643	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	417.2487
Annotation	Dendroside A
Peak:m/z	Relative Intensity
55.05515	12.8
67.05505	18.4
69.03426	5.7
69.07072	12.5
69.11738	18.4
71.04989	28.7
73.06545	3.3
79.05486	27.8
81.07061	55.4
83.04969	8.8
83.08635	5.9
85.02901	12.6
85.06551	4.3
91.05475	22.3
93.07046	37.9
95.04982	4.1
95.08610	55.9
97.02904	2.9
97.06533	6.6
97.10156	3.7
98.23473	4.8
99.08087	12.0
105.07032	70.3
107.08595	37.6
109.06535	3.9
109.10156	25.5
111.08024	3.2
117.07019	8.2
119.08563	31.4
121.06470	4.3
121.10150	24.8
123.11719	7.3
125.09636	34.9
127.03902	3.6
127.07546	3.5
127.11201	8.0
129.64255	2.5
131.08556	19.2
133.10129	100.0
135.11661	12.2
139.03909	3.3
140.04181	3.0
143.08565	4.3
143.10670	42.4
145.06419	3.9
145.10133	29.4
146.06000	7.1
147.11691	24.8
149.13254	18.9
151.11142	12.5
158.10834	3.5
159.11655	26.1
161.13275	17.4
163.11203	3.7
167.07033	46.3
167.14326	56.3
168.14607	3.2
169.12212	10.2
173.06015	5.0
173.13266	34.0
175.14835	4.1
181.04977	15.9
188.07040	6.4
189.16360	7.0
191.07072	5.1
191.17975	5.8
201.16367	39.9
207.17329	4.8
219.17450	92.1
220.17769	4.2
237.18546	15.8
373.21262	8.0
387.14209	4.6
415.28827	2.8
417.16211	24.3
417.24551	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	417.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.92591	0.9
55.01873	4.4
55.05507	3.4
57.03428	2.7
61.02921	3.9
62.92902	1.0
64.80771	0.8
65.03924	1.1
67.05492	3.8
68.99776	1.5
69.03427	11.9
69.07043	1.3
69.43553	5.2
71.04986	3.7
73.02906	3.4
79.05486	4.0
81.03418	12.3
81.07045	6.9
83.04994	1.3
83.08626	2.2
85.02901	27.3
86.03205	1.1
87.00824	10.0
87.04459	1.1
91.05489	3.8
93.07060	11.2
95.04957	1.3
95.08617	7.8
95.09151	1.4
95.83175	1.1
97.02893	18.5
97.06475	1.2
99.04452	4.3
100.11246	3.8
105.01869	11.0
105.07027	16.6
107.04954	1.3
107.08584	10.0
109.02889	7.4
109.10161	5.0
111.04406	1.6
115.05447	4.5
117.07040	3.0
119.08597	7.4
121.06513	1.6
121.10167	6.2
125.05979	1.2
127.03920	18.1
131.08566	9.6
133.06493	3.9
133.10110	5.8
135.11700	2.3
137.02342	13.0
137.05923	1.5
139.03947	2.0
145.04951	15.0
145.10126	17.8
147.04349	1.2
147.08028	2.8
149.05975	1.6
151.03922	2.2
151.07558	1.2
151.11086	1.7
153.05458	1.6
159.02904	4.3
159.11685	9.4
161.05983	12.7
161.09526	1.2
161.13235	3.7
163.03906	1.6
167.07048	4.0
169.04947	10.5
173.13281	3.5
175.07564	3.1
177.05469	100.0
179.03387	4.8
179.06982	9.0
181.04942	1.3
182.15349	1.3
189.05487	1.1
189.16324	1.8
193.08604	3.8
201.16379	44.9
202.16737	4.1
203.07111	1.3
209.16499	2.5
219.15291	2.1
219.17433	42.5
220.17770	3.6
221.08083	62.7
226.19241	1.3
231.04996	1.7
237.11166	1.2
237.18500	20.8
238.18828	1.2
239.09140	40.5
239.12895	3.3
245.04411	1.9
335.24542	1.7
381.22833	1.5
399.24246	2.5
417.16632	3.0
417.32306	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.2
57.07061	2.8
67.05508	9.8
69.03419	5.1
69.07071	11.3
69.43653	7.9
70.18740	2.0
71.04993	22.6
73.06561	1.9
74.93406	1.8
79.05486	18.4
81.07066	33.2
83.08597	5.3
85.02903	10.9
85.06525	3.7
91.05476	19.1
93.06520	2.9
93.07051	28.0
95.05006	4.2
95.08606	28.3
97.02860	3.0
97.06525	4.2
97.10187	1.9
99.08096	7.1
103.05498	2.8
105.06352	3.3
105.07034	46.6
105.07734	2.8
105.68575	1.8
106.07303	3.2
107.08597	24.4
108.08955	2.3
109.06501	3.5
109.10173	18.2
116.12111	1.9
117.07012	4.0
119.08599	14.6
120.08958	2.6
121.10148	16.5
123.04425	2.4
123.11687	7.0
125.09634	22.6
127.03770	4.5
127.07558	2.6
127.11185	5.8
131.08553	9.0
133.10138	77.4
134.10506	5.0
135.08101	1.9
135.11678	6.2
137.05913	2.0
139.11171	3.2
143.10672	22.6
145.10135	20.6
146.10477	4.5
147.11678	16.0
149.13284	17.5
151.11185	4.6
159.11711	14.3
160.12013	3.0
161.13235	8.4
163.11214	2.7
167.07040	18.8
167.14322	44.7
167.34972	1.8
168.14699	2.0
173.06020	2.0
173.13347	3.5
175.14911	2.9
181.05022	12.8
188.07083	3.1
191.07039	3.5
191.17917	2.2
201.16406	17.0
202.16776	6.0
203.05341	3.0
219.17451	45.0
220.17781	4.4
237.18443	11.1
261.96921	2.2
313.16202	15.0
345.69333	1.9
373.21146	2.3
417.15881	5.3
417.20892	100.0
418.21332	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	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12933	2.2
55.05503	6.8
57.07064	5.0
67.05505	21.4
69.03407	4.0
69.07060	17.0
69.89710	5.4
69.90089	5.7
79.05482	24.7
81.07049	35.4
83.08622	6.7
85.02906	7.0
85.69027	2.3
91.05483	35.9
93.07037	37.1
95.04948	5.2
95.08598	45.2
97.02842	4.2
97.06547	3.3
97.10151	2.9
105.07019	44.4
107.04920	5.5
107.08591	46.3
109.06486	5.8
109.10159	17.5
111.08080	3.5
117.07000	21.0
119.08576	43.1
120.08944	3.0
121.10120	24.8
123.08062	7.7
125.09618	4.0
130.07779	3.8
131.08557	38.7
132.08928	2.8
133.10106	29.1
135.08037	3.0
135.11690	21.9
143.08546	4.5
144.09271	5.2
145.06490	2.8
145.10124	75.6
146.10570	2.9
147.11671	8.2
149.09593	4.7
149.13229	5.5
157.10086	3.7
159.11676	44.6
161.13263	21.2
163.07634	2.8
163.11186	10.0
163.14893	3.5
167.07022	6.6
173.13187	14.7
175.14780	6.2
177.09135	3.4
181.04893	4.8
189.16371	7.4
191.07103	3.5
191.17984	7.1
199.85446	2.9
201.16377	100.0
202.16711	11.1
203.10632	6.4
219.17436	55.2
220.17813	5.8
237.11108	3.0
237.18437	6.8
239.12778	3.3
390.54861	2.8
417.18893	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.8
57.03436	3.9
61.02908	4.0
67.05515	13.6
68.30764	2.2
69.03419	8.2
69.07060	5.6
70.64015	2.5
71.04996	5.1
73.88063	2.3
77.10698	2.3
79.05495	13.1
81.03424	5.8
81.07056	43.2
85.02906	35.2
85.06521	3.5
86.55197	2.3
91.05495	8.1
93.07045	30.4
95.04960	4.4
95.08599	43.9
97.02907	6.7
97.06526	2.6
105.07037	41.0
107.08599	37.1
109.02902	3.7
109.10161	24.8
111.08089	9.7
117.07026	10.1
119.08572	30.7
120.08927	2.4
121.10150	24.4
123.08110	3.4
125.09656	4.6
127.03932	5.1
129.07030	3.2
129.10234	2.2
130.07877	2.3
131.08562	15.9
133.10132	15.7
135.11674	12.6
137.06001	4.6
137.09619	8.2
139.03879	3.0
141.09154	3.6
143.08636	2.9
144.09421	3.2
145.04938	4.9
145.10139	49.8
147.11676	20.8
149.09639	2.7
149.13231	7.7
151.07555	7.0
151.08650	31.2
157.10115	2.5
159.11682	44.1
161.13243	48.3
163.07582	5.6
163.14828	4.3
167.07042	7.9
169.09727	9.7
173.13287	8.5
175.14824	3.8
177.09180	5.5
181.04942	3.5
189.16417	7.0
191.03497	4.0
191.17938	20.7
201.16377	85.2
202.16737	5.7
219.02971	3.7
219.13881	3.9
219.17415	30.3
220.17928	3.6
231.02901	3.6
237.14905	4.6
237.18431	19.7
255.12137	3.2
255.19559	41.0
279.83279	2.9
285.07541	3.0
339.08643	4.0
417.17307	100.0
418.17654	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	417.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39658	0.6
63.89672	0.4
69.40896	2.5
79.47802	0.6
92.87414	0.5
98.98488	0.5
114.84414	0.5
119.08634	0.8
151.07541	0.9
153.96570	0.5
209.31300	0.5
305.91721	0.6
316.67731	0.5
327.22955	6.7
341.20663	0.6
357.23975	11.8
358.24411	0.7
371.21893	10.8
371.77701	0.5
372.22552	0.6
386.24207	3.4
387.25037	14.7
388.25613	1.0
417.26120	100.0
418.26495	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	417.3366
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
55.05512	4.3
56.16043	1.4
57.07077	2.5
59.91013	1.4
65.03925	1.6
67.05502	4.7
69.07055	9.0
69.22691	7.4
71.05003	4.8
71.08616	2.3
77.03963	1.6
79.05493	4.4
81.07058	17.8
83.04974	8.4
83.08630	5.0
89.46711	1.4
91.05482	9.0
93.07053	2.8
95.08604	9.3
97.10179	2.3
99.08064	2.3
105.06997	1.8
109.06520	14.8
109.10156	8.8
109.27349	1.5
110.68694	1.6
118.64820	1.4
119.08627	1.8
123.11706	5.9
125.06009	5.7
134.96284	1.6
137.05978	63.5
137.07021	3.3
137.13289	3.5
151.07573	13.8
155.07095	3.2
163.11127	1.5
165.09084	4.9
171.11740	1.5
175.11105	1.6
179.10725	4.3
189.12759	1.9
193.12213	2.7
207.13777	2.7
225.13342	1.6
249.18738	1.9
281.28470	5.2
399.32562	3.3
417.33649	100.0
418.34006	10.8
441.42761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
54.52291	1.3
55.01884	5.6
57.03438	8.0
59.45858	1.4
61.02934	7.4
63.47646	1.3
69.03432	18.5
69.24104	8.2
71.04988	4.1
73.02921	5.8
79.05507	1.7
81.03421	19.3
84.66978	1.6
85.02905	52.4
87.00837	24.6
87.04478	1.7
90.45057	1.6
91.05499	4.0
93.07060	2.4
97.02895	54.6
98.03244	1.5
99.04457	10.4
105.01880	24.6
105.07051	2.4
109.02891	15.0
115.03963	1.7
117.01883	3.1
121.02880	15.6
121.06526	2.6
123.04504	1.4
127.03918	46.4
129.01852	2.7
131.07013	1.5
131.08629	1.9
135.08075	4.4
143.08556	4.6
145.04964	43.4
145.06093	2.8
151.07545	68.3
152.07858	2.3
153.05466	21.1
159.02878	14.0
161.09628	2.0
163.04034	1.6
163.07574	3.1
165.05489	5.2
165.09106	7.4
171.07961	2.3
177.09079	2.4
179.07037	4.7
179.10692	2.1
181.08585	3.0
188.08307	7.9
189.09135	2.1
192.07854	2.4
193.12294	4.9
203.10686	16.5
219.10225	2.0
221.11728	100.0
222.12129	3.5
231.05032	6.9
232.12088	1.5
239.12776	56.6
240.12895	1.3
249.05963	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	418.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
57.03428	0.6
62.06075	2.2
66.31995	0.7
67.05485	0.9
69.03423	2.3
69.07037	1.2
69.20059	0.7
70.06582	1.0
77.03942	0.7
79.05483	2.3
81.03410	3.0
81.07035	1.8
85.02901	5.2
86.09722	0.7
87.00831	2.1
87.85039	0.7
91.05490	0.9
93.07037	1.5
95.04967	2.6
95.08605	2.1
95.46988	0.6
97.02879	4.9
99.04451	1.4
105.01859	1.9
105.04475	1.0
105.07036	1.9
107.08544	1.0
109.02885	3.4
109.10153	1.4
119.08573	1.6
121.06512	0.7
121.10151	0.9
123.11697	0.8
127.03898	5.3
133.10153	1.2
135.04408	100.0
135.11716	0.8
136.04750	3.4
137.02310	1.6
137.05968	1.1
139.03886	1.0
143.08534	0.9
145.04956	1.6
147.04448	0.8
147.08107	1.1
147.11664	1.0
149.09674	0.9
151.11253	0.7
153.05460	47.1
154.05844	1.5
159.11838	0.7
161.05956	1.5
161.13226	1.6
167.06958	1.0
167.75705	0.7
176.34552	0.7
177.05461	7.1
193.08556	0.8
202.16646	1.1
203.17969	2.3
211.08566	0.7
221.08139	3.9
221.11668	2.2
221.15433	1.2
225.10229	1.7
225.14841	1.4
231.04816	1.5
239.09157	3.6
239.11639	1.3
253.09570	1.0
257.12778	1.2
267.11276	2.0
270.08798	0.8
270.12164	0.8
295.10745	2.0
297.12274	0.8
313.11835	5.4
340.12723	0.8
341.11316	1.2
358.14020	4.4
386.13467	7.4
406.21213	0.6
418.16907	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	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83193	0.3
55.01861	1.7
55.05986	0.3
63.73629	0.3
69.03386	0.4
70.51933	0.7
85.02901	0.8
91.05466	0.4
115.05455	0.5
119.04945	3.3
125.05981	0.9
133.06491	4.5
134.03665	0.4
137.05965	0.4
147.04405	21.2
148.04747	0.6
149.48956	0.4
151.03831	0.4
153.05493	2.2
161.05963	2.8
162.03078	0.5
165.48688	0.4
175.07533	0.6
177.05463	100.0
178.05826	3.1
179.07030	7.7
180.07292	0.3
189.05435	0.7
193.08615	0.9
203.07040	0.8
221.08081	76.8
222.08414	3.2
239.09132	18.4
240.09508	0.8
324.23071	0.4
329.50485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03410	0.7
61.02911	0.5
67.05489	0.9
69.03416	1.9
79.05475	0.6
81.03418	1.3
81.07036	1.3
85.02908	3.5
91.05437	0.6
93.07011	1.2
95.04922	0.6
95.08564	0.7
97.02885	2.3
99.04462	0.9
105.01830	0.8
105.06995	1.2
106.04186	0.6
106.07320	0.6
107.04939	1.3
107.08573	1.0
109.10171	0.7
115.05444	4.0
117.07024	0.8
119.08610	0.8
121.02850	0.9
121.06487	0.9
121.10142	1.0
123.04430	1.0
125.05970	1.5
127.03925	1.1
131.08571	0.8
133.06493	6.9
137.02402	0.6
137.05983	3.2
139.03854	0.6
140.04703	0.8
143.08598	0.7
145.04980	0.5
145.10115	1.0
147.04440	0.6
147.08041	2.7
149.05937	0.7
151.07532	1.5
151.11258	0.7
152.11397	0.6
153.05444	2.1
160.05280	0.7
161.05975	12.5
162.06288	0.5
166.35696	0.5
175.07559	2.4
177.05466	100.0
178.05772	2.9
179.07039	9.0
193.08583	1.4
201.16362	1.1
202.16679	1.0
203.07053	0.8
203.10704	1.5
219.17294	0.8
220.17622	0.8
220.40120	0.5
221.08083	52.2
221.11679	3.0
222.08444	1.7
222.27637	0.5
238.18744	0.6
239.09138	36.5
239.13007	1.4
240.09457	1.4
304.01608	0.7
401.16220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20564	0.4
55.01874	1.5
69.54243	1.0
69.54636	1.1
85.02898	1.1
85.21239	0.5
85.87873	0.4
98.22661	0.9
103.89433	0.5
112.62421	0.5
119.04954	2.8
133.06514	3.8
134.03641	0.7
140.04669	0.7
147.04405	19.9
148.04695	0.9
148.10715	0.5
153.05466	1.9
161.05966	3.1
162.03098	0.6
175.07529	1.3
177.05466	100.0
178.05794	3.4
179.07021	8.8
182.01781	0.5
189.05421	1.2
193.08624	1.7
203.07045	1.3
221.08084	71.5
222.08395	2.6
239.09154	21.1
240.09409	0.7
240.65569	0.5
440.69061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
64.19688	0.7
67.21113	0.7
68.58681	0.7
69.38308	1.3
69.38702	2.0
76.43387	0.9
85.02915	2.6
91.05531	1.0
92.13113	0.9
97.02901	1.0
105.07018	1.4
109.14703	0.8
123.04449	2.2
125.05984	1.2
129.07016	3.2
133.06523	2.4
134.77441	0.8
137.05998	1.9
142.11171	0.8
147.08052	3.3
153.05452	3.2
160.05196	1.3
161.05968	20.3
175.07483	4.4
177.05469	100.0
178.05835	2.9
179.07014	11.1
193.08571	4.6
203.07079	1.9
208.92944	0.8
221.08080	60.4
222.08466	2.3
236.80397	0.8
239.09152	35.9
240.09465	2.3
274.80606	0.9
328.50314	0.8
391.17880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
61.89453	0.9
69.03434	0.8
70.95112	1.4
85.02894	3.3
91.77182	0.9
97.02897	1.3
101.81536	1.0
104.00107	0.8
115.05447	2.4
121.06448	0.8
125.05985	0.9
133.06461	4.6
137.05943	5.6
140.04707	0.9
147.07990	1.8
149.06064	1.1
151.07506	1.6
153.05431	3.5
160.32011	0.8
161.05983	13.5
175.07553	3.3
177.05464	100.0
178.04434	0.9
178.05887	3.5
179.07043	8.5
179.10628	3.9
188.08337	1.2
193.08588	2.9
195.86060	1.0
196.46054	0.9
203.10677	3.9
221.08084	54.3
221.11482	13.2
222.08389	2.2
239.09138	41.2
239.12889	2.4
240.09430	1.4
291.82684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79891	1.4
64.18903	1.6
64.27760	1.5
67.05504	3.1
67.84474	1.7
69.47876	1.5
79.05495	2.6
81.07056	7.2
83.08635	2.1
85.02915	6.0
91.05483	5.4
93.07039	9.7
95.08607	11.3
97.02888	1.6
105.07018	7.4
107.08588	13.9
109.09440	1.8
109.10154	7.7
114.09138	1.6
119.08570	7.0
121.10148	5.1
123.04436	5.9
123.11624	2.1
127.03906	2.4
131.08578	2.0
133.10129	5.5
135.11711	7.6
145.10130	3.8
146.10477	3.1
147.11707	7.2
151.07530	7.6
153.05507	2.3
160.12160	1.8
161.13239	2.5
163.07500	1.6
163.14812	2.3
165.12796	2.4
166.06294	3.5
173.06055	2.7
177.09076	5.6
181.04956	42.6
183.06523	6.4
191.07039	6.0
193.12236	3.7
196.07294	100.0
197.07687	3.4
198.08907	17.1
201.16418	3.3
202.16713	3.0
203.17970	14.9
205.08623	9.2
206.09348	5.6
207.06497	9.7
207.10081	3.6
209.07973	1.9
211.09641	99.4
212.10168	3.4
219.10149	3.8
220.10910	7.5
220.17834	1.9
221.08168	3.3
221.11681	3.7
221.15407	2.1
221.18982	6.2
233.07933	1.7
237.09003	2.4
237.11111	9.0
239.12737	4.5
239.20074	2.7
248.36595	1.4
249.07588	5.7
251.01865	1.5
251.12727	6.2
264.09885	15.8
269.13873	2.7
279.12238	56.3
280.12692	2.6
297.13300	15.1
418.13885	2.4
418.19202	15.3
419.20395	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
55.05518	10.1
57.03445	3.6
61.58060	3.0
67.05511	7.1
69.03436	6.0
69.07079	9.8
69.74860	8.6
69.75191	3.6
73.02909	5.4
79.05521	3.7
81.03432	4.0
81.07063	9.0
83.08619	5.1
85.02892	18.3
91.05461	6.1
93.07048	9.1
95.08643	5.1
97.02930	4.8
98.23428	6.3
105.06999	5.5
107.08588	15.4
111.04465	7.1
111.08113	3.5
119.08578	5.1
121.06511	4.5
121.10104	5.0
123.04431	81.1
123.05273	6.7
127.03949	7.9
131.08537	4.2
133.10175	4.3
135.08054	5.1
135.11740	8.5
137.06010	11.9
145.04935	3.3
147.04413	11.2
149.05983	8.9
151.07533	3.5
161.05965	29.0
167.07040	5.6
175.07599	5.9
177.09172	4.3
203.10675	100.0
204.11017	6.8
221.11728	59.0
239.12779	98.4
263.12949	5.1
287.05536	25.1
315.08963	3.2
316.70230	3.2
418.17694	4.4
418.25198	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66182	0.6
51.05243	0.6
55.05505	3.6
57.03412	0.8
61.02922	0.8
66.39005	0.5
67.00632	0.6
69.03418	1.3
75.77850	0.5
78.07070	0.6
83.04941	1.8
85.02922	4.8
91.05455	1.2
93.07029	0.8
97.02869	1.3
101.01846	0.6
101.05982	1.3
105.07033	1.9
115.05495	0.7
117.07042	3.1
117.07734	0.6
121.06465	3.8
126.84962	0.5
127.03953	0.6
131.08524	0.6
133.10078	1.0
137.05972	1.0
139.07524	2.0
145.06471	6.6
146.07243	1.5
147.08067	1.3
149.09659	3.0
151.07533	27.2
152.07954	0.8
159.08090	0.7
161.09628	8.5
162.06747	2.5
165.09116	2.6
171.08112	0.7
172.41803	0.5
175.07558	0.9
175.11095	0.8
177.09099	83.0
178.09435	2.7
188.08289	1.3
193.12236	13.7
201.09219	0.7
203.10640	8.3
221.11714	100.0
222.12044	3.5
239.12767	95.6
240.13148	4.6
247.73683	0.6
263.12827	1.1
287.12717	1.1
305.13724	1.6
329.13672	0.7
418.18942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03942	2.7
55.01876	1.4
55.05500	1.1
57.03444	1.2
57.56111	0.6
61.02925	0.9
64.14581	0.6
65.03940	0.9
67.05482	1.2
68.99794	0.8
69.03434	5.9
69.07060	1.5
69.28341	3.1
71.04983	2.1
71.31181	0.6
73.02905	2.2
75.61430	0.6
77.03920	2.0
79.05504	2.7
81.03416	5.6
81.07061	4.2
85.02901	18.3
87.00819	6.6
88.03148	0.6
91.03973	1.0
91.05475	17.7
93.07041	100.0
94.07360	2.9
95.04968	4.8
95.08621	3.7
97.02888	9.5
99.04423	3.0
105.01867	9.9
105.04512	2.2
105.07021	7.0
107.08591	61.8
108.04456	0.8
108.08949	1.3
109.02869	6.3
109.06501	1.9
109.10174	2.8
115.03930	1.0
117.01833	0.8
119.06061	1.0
119.08557	3.6
119.94450	0.6
121.10136	2.1
127.03909	17.8
127.04855	0.9
129.01839	0.7
133.10115	2.4
135.11687	60.8
136.12022	2.2
137.13258	1.4
145.04951	11.8
145.10071	0.9
147.11650	4.2
152.14377	1.6
152.22484	0.5
153.12727	6.0
159.02876	5.6
161.13258	1.3
163.88553	0.6
165.12769	1.4
175.14888	0.6
203.18015	3.6
213.03914	0.7
221.19052	1.4
231.05028	5.2
243.13876	1.2
248.07649	1.1
249.06165	1.2
352.89459	0.7
418.18994	2.1
419.20441	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01868	2.4
57.03432	4.4
61.02908	2.1
69.03433	6.6
69.41965	0.7
69.42246	3.0
71.04977	2.0
73.02907	2.7
79.05486	1.0
81.03415	7.3
81.07044	1.1
85.02898	23.9
87.00818	7.8
91.03948	0.9
91.05471	1.7
93.07037	1.2
95.08605	2.0
97.02892	20.3
99.04427	3.6
105.01859	10.2
105.07015	2.3
107.08611	0.8
109.02887	5.9
115.03964	0.8
117.01830	1.2
121.02882	5.8
121.06487	1.6
123.08007	1.2
127.03910	19.1
128.06290	0.6
133.06454	0.8
133.10107	0.8
135.08061	2.7
136.05243	1.4
137.05963	0.7
143.08537	2.0
145.04964	15.3
145.10085	1.1
146.05180	0.6
147.08049	1.0
151.07532	62.3
152.07919	2.5
153.05473	8.3
155.08571	0.7
159.02856	4.4
161.09581	1.8
162.06776	1.0
163.07510	1.3
165.05484	5.3
165.09123	7.7
167.07040	1.4
171.08099	1.8
172.08885	1.2
175.07521	1.5
175.11224	1.8
177.05426	0.9
177.09088	2.5
178.06277	0.9
179.07057	3.4
179.10674	5.2
181.08583	3.6
188.08324	5.4
189.09058	2.1
191.10667	2.0
192.07762	2.0
193.08617	1.0
193.12212	3.5
203.10670	14.8
204.11121	0.6
208.70706	0.7
219.10173	1.5
220.10493	0.7
221.11722	100.0
222.11986	4.2
231.05040	3.4
239.12767	50.7
240.13087	2.8
249.11214	1.4
261.07315	0.7
418.17453	0.9
420.98636	0.8
436.51965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03428	0.7
61.02920	0.6
67.05490	0.6
69.03422	2.5
69.07072	0.5
69.70047	1.5
71.04989	0.5
77.03912	0.5
79.05485	1.2
81.03403	1.0
81.07042	1.5
85.02900	8.7
91.05464	2.4
95.04962	0.8
95.08583	0.6
97.02892	2.4
99.04436	0.4
105.07008	1.2
107.08565	0.6
109.02862	1.0
109.06492	1.3
109.10149	0.7
119.08566	0.9
121.06480	1.9
127.03905	1.9
133.06496	0.8
133.10020	0.4
135.08029	1.0
135.11674	0.5
137.05968	100.0
138.06288	3.2
145.04967	0.8
146.10344	0.5
147.08006	0.6
151.07533	60.0
152.07889	1.7
153.09123	2.0
153.12761	1.1
161.05983	6.0
163.07529	0.9
165.05399	0.5
165.09129	0.6
167.07036	1.1
168.07326	0.6
172.08768	0.4
173.05920	0.5
175.07507	1.0
177.09103	0.7
179.07011	1.2
179.10646	0.7
181.70313	0.5
188.08316	2.4
193.08624	0.9
193.12244	1.7
195.10159	7.3
197.08057	0.6
203.06978	2.4
203.10645	5.1
211.13228	0.5
220.17781	0.4
221.11928	10.5
221.15340	44.9
222.12064	0.5
222.15701	2.0
228.07855	0.4
239.12784	16.9
239.16374	3.4
240.13147	1.0
245.15356	1.9
259.17032	0.9
263.09122	0.7
287.16403	2.8
329.17453	0.8
347.18445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39762	0.9
53.03953	4.1
55.01859	3.1
55.05508	4.8
55.67278	0.7
61.02928	1.6
65.03926	1.2
67.05500	4.1
69.03431	6.1
69.07060	4.5
69.26397	3.4
71.04993	1.5
73.02915	1.3
77.03912	1.9
79.05491	16.2
81.03413	5.9
81.07056	7.6
83.04982	1.9
83.08630	1.0
85.02908	20.9
87.00819	6.4
91.05473	25.2
92.05822	1.0
93.07043	83.4
94.07349	1.9
95.04975	8.7
95.08610	6.5
97.02891	7.2
99.04458	3.2
105.01862	5.9
105.04540	4.5
105.07021	11.7
107.08591	100.0
108.04494	1.7
108.08933	2.8
109.02876	6.3
109.06518	3.3
109.10168	4.1
117.01853	1.3
119.06120	1.7
119.08554	4.0
121.10152	4.1
123.11719	1.4
127.03912	12.5
133.10132	2.3
135.11690	48.6
136.12024	2.4
137.13345	1.0
145.04958	7.7
147.02878	1.2
147.11690	4.9
155.06021	0.7
159.02870	4.1
161.13254	1.3
167.07164	0.7
177.76274	0.7
181.04964	1.0
190.17938	0.7
203.17949	23.0
221.19029	1.3
230.06458	0.8
231.04984	2.8
271.46671	0.7
418.29984	1.1
419.20255	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	418.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
59.12868	0.6
63.81303	0.6
64.88590	0.5
67.05495	0.9
69.03429	0.7
69.07024	0.7
73.02903	0.6
79.05486	0.9
80.12943	0.6
81.07044	2.2
85.02917	3.3
86.06023	0.6
91.05485	2.2
93.07029	1.9
95.04989	0.7
95.08616	2.4
96.08946	0.8
97.02880	1.0
97.10229	0.8
103.62206	0.5
105.07018	1.2
107.08604	1.6
109.06519	1.8
109.10166	1.2
111.76182	0.6
119.08554	1.3
123.11670	0.6
127.03916	1.2
131.04942	0.8
131.74727	0.7
137.05980	100.0
138.06328	2.5
139.03943	0.7
151.07562	1.9
161.05989	3.8
163.07529	1.0
164.36824	0.8
167.07069	1.3
175.04112	0.7
175.07521	1.1
191.07054	0.7
191.83067	0.6
202.16751	0.8
203.07047	2.2
203.17981	1.8
221.08124	2.0
221.11804	2.0
221.15367	44.6
222.15712	2.7
228.83540	0.6
237.14819	1.6
238.15121	1.5
239.12956	0.6
239.16508	10.1
245.15353	1.5
281.07715	0.6
287.16440	2.4
305.17569	1.2
347.18283	0.7
361.23926	0.7
363.06387	0.6
419.18674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05497	2.0
57.03416	0.6
64.01069	0.4
65.86113	0.5
66.98126	0.4
69.07040	0.5
69.48085	0.5
70.68893	0.7
79.05482	1.0
79.42600	0.6
81.03384	0.6
81.07039	0.7
85.02898	2.2
91.05478	1.3
93.07039	0.8
93.94473	0.5
95.04958	0.7
95.08619	1.2
97.02908	0.7
105.07044	0.7
107.04942	5.0
107.08594	1.0
109.06519	1.8
109.10142	0.6
123.04449	0.6
127.03886	0.9
131.08664	0.7
137.05971	100.0
138.06293	2.5
139.07559	0.7
142.29460	0.5
151.07515	1.7
159.08072	0.5
161.06006	3.1
167.07039	0.8
174.23984	0.5
175.07623	1.2
177.09108	0.8
181.04967	1.9
203.07024	1.3
203.10553	0.5
220.17787	0.7
221.11781	2.2
221.15358	56.1
222.15704	2.6
227.11699	0.6
228.12036	0.9
235.06097	0.8
237.18286	0.6
238.18837	1.8
239.16449	3.5
245.15399	1.5
256.11542	1.3
287.16415	2.0
297.07397	0.6
341.10220	0.9
418.11850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.07509	0.6
54.88485	0.5
55.01868	1.0
55.05512	4.2
56.52293	0.5
57.03446	1.0
57.07061	1.8
59.04997	1.1
61.02916	1.6
61.30696	0.5
65.03954	0.8
67.05164	0.7
67.05502	10.6
69.03430	4.3
69.07063	5.8
69.51277	0.5
70.93735	0.5
71.04980	1.9
73.02907	1.1
79.05482	6.0
81.03405	2.2
81.07055	21.3
83.04980	1.0
83.08623	2.1
83.13423	0.5
85.02409	1.1
85.02901	18.9
85.03416	1.0
87.00816	0.6
91.03914	0.7
91.05475	10.7
93.07040	23.6
94.07403	0.7
95.04952	1.8
95.08603	31.6
96.08934	0.7
97.02883	5.0
97.06551	1.0
97.10178	2.7
99.04450	1.2
103.05467	1.8
104.05807	1.0
105.01880	1.1
105.07024	27.0
106.07367	0.9
107.04951	0.6
107.08589	31.6
108.08932	0.9
109.02851	1.4
109.06514	1.0
109.10153	24.7
111.08060	0.9
111.11705	1.2
117.06962	1.5
118.07812	0.5
119.08575	36.7
120.08929	1.3
121.10134	12.6
123.04406	0.5
123.11691	8.2
125.09621	0.7
127.03912	3.8
131.08560	1.2
132.05200	0.7
133.02872	0.7
133.10121	20.1
134.10452	0.6
135.11685	13.3
136.12001	0.7
137.13251	1.5
145.04973	5.3
145.06012	0.8
145.06560	0.7
145.10110	1.9
146.06752	0.6
147.11676	33.1
148.12027	1.6
149.13237	3.2
151.11180	0.9
159.11665	0.9
161.13255	14.2
163.06123	0.6
163.07506	1.0
163.14828	5.2
164.07909	0.9
165.12723	1.8
167.07022	5.9
168.07376	4.8
173.05904	0.6
173.13390	0.7
174.06332	1.1
175.14809	14.0
176.15036	0.6
180.08615	1.5
181.04985	4.2
182.05304	1.8
191.07053	2.9
192.07433	2.7
193.19547	1.8
203.17938	100.0
204.18246	5.9
206.69353	0.5
221.18988	51.4
222.19351	2.9
231.05009	0.8
239.20039	0.6
284.13382	0.7
314.14529	0.9
336.24127	0.5
347.21863	0.6
365.23227	0.6
383.24289	1.1
388.14706	1.2
389.99133	0.5
400.26913	1.1
418.15079	3.4
419.20407	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	418.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.05513	9.6
57.03429	3.1
57.07063	2.9
59.48215	2.3
61.02949	2.8
64.87565	2.3
67.05501	31.0
68.05820	2.4
69.03424	11.3
69.07058	12.5
70.46589	3.8
79.05489	41.9
80.48721	3.0
81.03419	3.9
81.07059	43.1
83.08617	7.0
85.02908	42.3
85.06461	3.3
85.43288	2.5
87.00809	8.4
88.15145	2.8
90.24559	2.5
91.05477	45.9
93.07045	100.0
93.93454	2.4
94.07396	2.8
95.04977	7.4
95.08610	55.1
96.08932	2.5
97.02926	12.7
98.23438	3.6
99.04446	5.2
105.01875	13.5
105.07029	50.0
106.07317	2.7
107.08592	88.7
109.02866	10.1
109.10158	37.9
110.10528	3.0
116.40126	2.5
119.08579	41.0
121.10150	36.8
123.11670	13.9
127.03903	23.6
133.09183	5.5
133.10126	68.1
134.10500	12.3
135.10794	6.5
135.11691	90.6
136.12050	3.6
137.13245	3.4
141.68716	2.8
145.04964	17.5
145.10045	3.2
147.11684	63.7
149.13293	6.0
151.11143	3.5
159.02939	3.4
161.13290	15.3
163.06026	3.5
163.14839	7.1
165.00168	2.6
165.12773	21.8
175.14816	9.2
203.17938	79.3
203.19867	5.2
204.18358	5.4
212.89763	2.6
221.15393	4.0
221.18985	24.9
231.04984	5.3
249.10678	2.4
400.11221	2.8
400.81033	2.6
418.21936	4.3
419.20020	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	418.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05493	1.1
57.03432	0.8
60.76313	0.8
61.02918	1.6
67.05505	5.8
69.03425	2.8
69.07069	2.0
70.51688	0.9
72.24108	0.7
79.05489	3.4
81.07052	16.4
83.09830	0.7
85.02907	11.1
88.69836	0.7
91.05466	3.7
91.63203	0.7
93.07033	9.3
95.08606	20.3
97.02893	4.1
98.74904	0.8
99.04453	1.0
101.91097	0.8
105.07033	5.4
107.08598	15.4
109.10152	11.6
119.08586	5.7
121.10163	11.9
123.11696	5.0
127.03906	2.3
130.20950	0.8
133.10138	6.4
134.36096	0.8
135.11671	3.9
145.04979	3.4
147.11684	13.9
148.11952	0.9
149.13274	1.7
149.28438	0.8
161.13290	4.8
163.14818	3.1
167.06953	0.8
175.14830	2.1
203.17949	100.0
204.18295	5.5
205.19475	1.0
221.18982	7.2
322.74161	0.7
413.43484	0.8
418.19263	2.6
419.20074	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62157	3.4
51.90928	3.1
55.05494	11.2
57.03424	3.0
65.29561	3.2
65.81551	3.9
67.05493	20.2
69.03429	3.8
69.07066	11.5
69.42020	14.9
71.03326	3.3
79.05474	16.7
81.07059	47.2
83.08620	5.0
85.02907	20.2
91.05470	26.7
93.07047	33.7
95.08601	55.0
97.02889	7.3
97.10163	4.0
98.97655	3.7
100.11252	8.3
102.60439	2.9
105.07021	51.8
105.70653	3.3
107.08582	44.3
109.00878	3.0
109.10155	35.8
119.08601	35.2
121.10148	46.6
123.04393	3.3
123.11700	11.5
127.03873	9.0
133.10118	25.5
135.11670	14.5
137.13278	5.3
145.04955	7.6
147.11668	58.8
149.13252	9.2
151.11163	7.9
161.11716	3.1
161.13255	13.5
163.06017	4.8
163.14807	6.4
165.12727	22.9
167.07057	13.7
168.07350	10.6
170.97847	3.2
175.14832	11.7
181.04944	5.5
182.15381	3.6
184.39374	3.8
203.17943	100.0
204.18291	5.4
221.18970	52.9
266.85385	3.3
394.82626	4.0
419.20398	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01872	0.3
57.03422	0.4
65.03947	0.9
67.05506	0.9
69.03420	0.3
69.81261	0.4
69.81651	0.4
71.01346	0.3
72.58545	0.2
73.02906	0.5
85.02901	2.2
93.03402	0.3
95.01328	1.8
95.04964	0.4
97.02898	0.3
98.23375	0.2
103.03935	0.2
105.04504	0.2
108.02095	1.1
111.04449	0.4
113.02367	0.8
123.04427	0.3
125.06006	0.2
126.70995	0.2
131.03394	0.3
136.01601	0.3
137.05989	0.2
141.01831	2.9
141.05472	1.6
151.03908	100.0
151.04956	5.8
152.04259	2.2
159.02850	0.4
161.05983	0.2
163.07588	0.3
169.05042	0.3
177.05569	0.3
177.09117	0.5
199.25851	0.2
205.08510	0.2
221.08049	0.4
222.08476	0.3
223.09703	0.6
225.07635	0.9
229.37819	0.2
239.09013	0.2
239.16415	0.3
243.08652	3.9
243.10945	0.4
278.10168	0.2
327.07227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70603	2.7
53.03943	5.8
53.88549	2.4
54.32526	2.5
55.01875	6.6
55.05502	7.2
57.03426	5.3
57.07068	11.7
59.04977	4.1
61.02931	4.8
66.57856	2.3
67.05502	5.5
68.99778	2.9
69.03436	26.8
69.07068	6.7
71.05003	17.4
73.06547	3.2
79.05490	12.8
79.23782	2.2
81.03419	21.9
81.07055	30.9
85.02905	47.2
86.03243	2.9
87.00829	29.6
87.04472	2.7
91.05470	13.7
93.07043	26.7
95.04977	5.2
95.08604	11.9
97.02891	26.9
97.06539	6.0
99.04453	6.8
99.08195	2.6
105.01874	28.0
105.07024	15.3
107.08580	23.1
109.02855	14.7
109.06507	9.5
109.10159	9.9
111.04443	2.3
111.08046	2.4
111.11758	2.2
115.03918	7.0
117.01907	2.5
117.07001	3.1
119.08579	20.6
121.06440	2.7
121.10137	7.3
123.11724	3.0
124.03989	3.2
127.03917	30.2
131.08560	9.7
133.06496	4.6
133.10071	2.9
135.04462	2.5
135.08011	2.5
135.11687	27.3
137.09570	4.7
137.13284	6.5
139.03891	8.4
143.08644	2.6
145.04951	12.1
145.10130	11.4
147.04445	4.1
147.08046	6.5
147.11687	4.0
151.07567	5.7
151.11122	4.3
153.12740	100.0
154.13101	3.0
159.02942	6.6
159.08009	3.7
159.11699	4.1
161.09584	3.6
163.11215	7.3
165.12729	8.7
169.19479	2.4
171.08043	5.3
171.13762	5.8
173.09659	12.0
175.07535	4.7
177.12733	5.3
181.12236	2.5
183.07986	2.7
189.03897	3.0
191.10606	5.9
195.13783	4.6
197.13065	2.4
201.03963	3.7
203.17992	2.8
209.11746	3.5
219.13695	3.0
223.13341	7.2
225.12753	2.6
229.07590	3.1
231.05029	8.2
241.10881	3.3
243.13811	11.4
245.37148	2.3
261.14859	5.2
278.10394	3.3
279.15939	2.6
347.14865	4.9
365.15942	5.0
383.16650	4.3
419.12842	11.5
419.18448	6.8
420.08167	2.7
420.19955	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	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10131	1.5
51.58937	1.5
51.78768	1.5
52.02454	1.7
53.03937	7.3
55.01864	7.3
55.05503	2.5
57.03437	7.9
61.02919	7.6
67.05495	3.5
68.99806	3.0
69.03065	2.9
69.03426	38.6
69.07059	4.5
69.18236	2.4
69.18635	7.5
71.05001	4.8
71.10835	1.9
71.29904	1.5
73.02909	6.8
78.03457	2.1
79.05482	6.8
81.03416	22.9
81.07054	24.2
83.04939	2.3
85.02905	100.0
87.00824	50.2
91.03925	2.9
91.05486	9.7
93.07039	41.8
95.04958	3.6
95.08603	21.9
97.02888	46.9
99.04455	10.0
105.01863	62.4
105.07027	11.1
106.02886	1.9
107.08595	66.4
108.08909	2.6
109.02894	21.6
109.06533	2.1
109.10144	4.1
111.04418	2.1
115.03935	4.1
117.01838	1.9
119.05021	1.8
119.08593	6.7
121.10135	4.0
123.08073	3.2
124.03961	4.1
127.03911	53.0
129.01804	2.8
131.08572	2.9
133.10095	7.0
135.11694	66.6
136.12038	2.7
137.06006	4.4
137.13257	7.6
138.06329	3.5
140.61996	1.8
145.04941	26.6
145.10103	4.1
147.02911	2.3
147.11667	7.4
149.05960	2.1
149.13347	1.9
151.07521	1.8
153.12749	43.7
159.02885	8.8
159.11621	2.2
161.13206	1.7
163.11182	4.1
163.14778	3.0
163.46861	1.8
165.12749	7.1
167.08543	1.7
169.09758	2.2
171.13818	11.8
189.03969	3.1
193.12332	2.4
215.14313	2.1
219.00159	1.6
219.13620	2.3
221.18967	3.8
222.12074	1.9
222.15804	2.6
231.04898	9.7
239.20016	4.2
243.13831	6.2
247.04482	2.2
249.06107	2.7
261.14850	12.8
347.14838	5.7
365.15930	4.5
383.17078	3.8
419.11710	3.7
419.20233	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05519	2.4
57.03436	0.3
57.07074	0.5
59.05002	2.2
65.03935	0.6
67.05495	1.0
69.03422	2.3
69.07072	2.7
69.23380	1.0
69.23779	0.5
71.04992	11.8
72.02676	0.2
73.06554	4.2
74.85760	0.2
79.05496	4.5
81.03418	1.3
81.07056	21.0
82.07386	0.5
83.08607	0.7
85.02907	5.2
85.06530	0.4
87.00832	2.8
90.46723	0.2
91.05485	1.9
93.07046	13.0
95.04972	0.8
95.08605	3.6
97.02894	1.5
97.06543	1.5
98.22787	0.6
99.04451	0.6
105.01877	3.9
105.07030	1.1
107.08595	10.9
109.02879	1.2
109.06483	0.5
109.10166	2.4
117.07015	0.3
119.08566	1.0
127.03931	2.2
133.10103	0.4
134.21048	0.3
135.11690	23.2
136.12061	1.0
139.03900	0.3
141.90923	0.3
145.04962	1.1
145.10239	0.3
147.11719	0.3
151.07585	0.5
153.12741	100.0
154.13078	4.1
179.07091	0.3
194.16528	0.3
203.18034	0.3
221.08035	0.3
221.11678	0.7
222.12022	0.7
225.15742	0.3
231.05118	0.5
240.13144	0.4
264.67685	0.3
287.85956	0.3
292.50488	0.3
295.61148	0.3
337.16223	0.5
351.50409	0.3
419.20438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69933	1.5
53.03948	3.5
55.01873	6.1
55.05509	6.3
57.03444	3.8
57.07084	2.4
59.05000	2.3
61.02914	4.4
67.05505	6.8
68.99767	2.1
69.03426	17.8
69.07073	8.1
69.50264	3.1
69.50633	6.0
70.08800	1.5
71.04989	20.5
73.02930	1.9
73.06556	2.2
79.05492	10.7
80.44125	1.5
80.75151	1.5
81.03416	13.6
81.07058	36.4
81.07515	3.0
82.07381	1.6
83.08618	4.5
84.88425	1.4
85.02901	33.6
85.06549	1.7
87.00835	16.6
91.05479	9.5
93.07041	27.9
95.04948	3.9
95.08612	13.7
97.02887	18.3
97.06560	5.3
98.23429	3.0
99.04464	5.6
105.01862	17.4
105.07040	12.4
107.08595	25.6
107.09273	2.7
109.02861	8.3
109.06535	10.6
109.10152	9.9
115.03934	3.9
117.01839	2.2
117.07029	2.4
119.08578	10.6
120.55697	1.8
121.06516	5.3
121.10158	6.1
123.04430	3.1
123.08078	5.3
123.11736	3.3
127.03922	19.1
128.06232	2.0
129.01840	2.8
130.58702	1.5
131.08566	1.8
133.06516	1.7
133.10141	3.6
135.11696	31.1
137.09680	1.8
137.13264	5.7
143.08592	2.4
145.05008	5.8
145.10104	5.3
147.02876	1.7
147.08093	2.6
147.11705	5.6
149.09662	2.2
151.11084	1.6
153.12749	100.0
154.13087	3.6
159.02863	4.0
159.11739	2.6
161.09677	2.0
161.13251	2.0
163.11136	1.8
165.12781	5.7
173.09679	4.7
173.73116	1.6
177.12790	6.5
189.03967	1.9
191.10678	2.5
193.12151	2.3
195.13814	3.8
203.18124	2.4
219.05040	1.7
219.13788	1.8
221.18950	2.4
231.04984	4.3
243.13824	3.7
244.59639	1.6
246.96216	1.6
261.14917	3.6
289.05554	1.9
327.48273	1.7
383.17148	2.4
419.20834	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
69.07067	0.3
71.04990	0.3
71.43738	0.2
76.83418	0.3
79.05501	0.3
81.07053	0.9
85.02912	0.5
85.06568	0.3
86.07365	0.2
91.05457	0.4
92.28257	0.2
93.07050	0.4
95.04969	0.3
95.08593	0.5
105.07021	0.8
107.08559	0.5
109.10152	0.5
119.08588	0.6
123.11739	0.3
127.11162	0.3
133.10115	0.5
135.11667	0.5
147.11710	0.3
148.57629	0.2
149.06123	0.3
152.08241	0.2
161.06038	0.3
167.07166	0.5
177.05493	0.4
181.04901	0.9
185.63135	0.2
187.07608	0.2
187.14922	0.4
200.64949	0.2
201.03796	0.4
203.05363	0.3
203.18056	0.6
209.08145	1.2
221.15335	0.2
221.19069	0.6
242.57463	0.3
257.15152	0.7
373.60074	0.3
419.20395	100.0
420.20731	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	419.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86919	0.5
55.01879	1.0
62.19368	0.5
67.05497	0.5
69.07079	0.7
69.37358	2.1
75.50688	0.6
79.05502	0.6
81.07040	0.9
85.02885	0.9
93.07062	0.6
94.77522	0.6
95.08621	0.9
105.07029	1.6
107.08588	0.8
109.10170	1.0
119.08575	0.9
131.04869	0.7
136.18114	0.6
140.12910	0.6
163.07541	0.5
163.14774	0.8
165.12704	0.6
167.07082	1.4
177.05461	1.0
181.04887	2.5
191.07002	3.3
201.03723	0.6
203.17924	0.9
209.08080	1.9
221.19016	0.7
237.11349	0.6
257.15121	3.4
266.61679	0.5
381.76956	0.6
419.20407	100.0
420.20706	7.5
435.68774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96291	1.2
56.96566	18.6
57.07068	3.1
65.14493	1.0
65.81116	1.0
66.60449	1.0
66.92774	0.9
67.05476	1.6
67.06016	1.2
69.11101	7.7
70.06595	10.7
71.08604	1.2
72.08141	1.6
84.08118	1.3
86.09687	2.0
88.07618	3.5
98.97581	17.2
102.09167	2.6
106.49399	1.1
116.98634	11.6
123.04375	1.1
130.19228	1.3
132.10196	4.9
134.99663	4.5
140.00336	1.1
146.11719	5.4
147.12027	1.1
173.04938	1.9
189.07973	2.2
191.22787	1.1
195.03201	1.9
213.04291	1.8
249.07941	2.6
251.05910	1.7
251.09613	1.7
263.05566	1.3
267.08997	3.4
269.10663	7.3
269.46866	1.0
277.11093	2.1
279.09167	1.9
281.10458	1.6
287.11765	1.3
293.10422	1.4
295.12045	2.7
312.32626	4.2
313.32993	2.3
321.13657	1.9
331.19376	1.5
333.13867	3.1
333.21207	1.5
339.15070	1.5
341.17911	1.3
351.14697	1.8
355.15875	2.7
356.35226	15.3
357.17285	4.3
357.35535	9.2
359.18863	17.3
360.19290	1.7
375.18274	9.0
377.19983	88.0
378.20294	6.5
393.19440	5.5
395.21036	100.0
396.21341	8.4
397.20016	1.2
400.21542	12.7
413.21558	1.6
418.22766	10.0
418.38879	37.6
419.21011	98.6
419.39246	28.9
420.20990	7.6
435.93076	1.1
437.21976	6.9
441.23935	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2428
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
53.36187	0.2
55.01871	0.5
55.05513	1.8
57.07070	0.3
65.03942	0.7
67.05503	3.6
68.99783	0.6
69.07066	1.3
69.80769	0.6
77.98077	0.2
79.05476	1.0
81.07058	1.4
83.08623	0.4
86.37208	0.2
87.26759	0.2
88.51849	0.2
91.05490	1.1
91.81668	0.2
93.07030	0.9
95.04964	3.8
95.08607	0.6
95.45829	0.2
97.10134	0.2
98.23391	0.3
105.04521	0.3
105.07032	0.7
107.04947	0.4
107.08597	0.6
108.75291	0.2
109.06512	0.6
111.04455	0.5
117.06989	0.2
119.08563	0.5
121.06518	0.4
123.04426	100.0
124.04769	1.9
131.08549	0.3
133.06483	0.4
133.10239	0.2
135.04384	0.2
135.08051	0.3
137.05980	3.6
142.56895	0.2
143.08635	0.2
147.08034	0.3
147.11646	0.3
149.05989	1.1
151.07512	0.5
163.07521	0.9
165.09120	0.4
173.09624	0.2
177.09135	0.3
258.41400	0.2
355.22607	0.5
383.22040	1.0
401.23209	22.6
402.23459	1.5
419.24301	0.8
431.44553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
50.31044	0.4
50.93966	0.5
52.49128	0.5
53.03937	1.2
55.01871	1.9
55.05511	5.2
57.03425	0.5
57.07074	4.0
59.05003	0.6
61.97672	0.5
67.05504	11.8
69.07066	8.5
71.04993	3.8
71.08626	2.2
79.05493	1.8
81.07059	10.0
83.04997	1.1
83.08624	7.0
85.06559	0.8
85.10173	1.5
91.05479	5.0
93.07045	27.2
94.07379	0.7
94.51637	0.5
95.04953	2.5
95.08607	24.6
97.10135	3.7
99.08096	1.6
105.04523	1.2
107.08582	4.7
109.06522	2.8
109.10155	8.7
111.08086	14.0
111.11716	1.7
119.08601	1.0
121.06509	2.2
121.10158	1.8
123.08121	0.7
123.11697	5.3
125.05977	1.2
125.09634	1.0
125.13223	0.9
127.07539	5.5
127.11173	1.0
133.10194	0.7
135.08067	1.1
135.11729	0.9
137.05971	8.8
137.09622	0.7
137.13258	3.0
139.07547	13.6
139.11159	0.7
141.12747	0.7
145.10220	0.5
149.09639	0.9
151.07579	1.8
151.14761	1.2
153.09096	7.9
157.08632	1.2
159.11702	0.6
165.09146	1.6
167.10699	4.0
181.12202	4.6
193.12260	0.9
195.13725	3.5
195.61281	0.6
207.13805	1.3
209.15404	2.2
223.16953	1.0
237.18486	0.9
251.20061	0.8
265.21759	1.1
281.28445	4.3
282.29358	0.6
349.31000	0.9
390.72885	0.5
401.34137	9.3
402.34311	1.2
419.35187	100.0
420.35590	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	419.3519
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03942	1.4
55.01877	1.7
55.05511	11.4
55.80138	0.6
57.07072	6.5
63.63014	0.7
65.03947	1.7
67.05505	7.4
69.07066	20.8
70.84320	1.0
71.04987	2.1
71.08633	4.3
75.09934	0.6
79.05488	7.1
81.07060	10.2
83.04990	4.7
83.08617	13.5
85.10186	1.5
91.05479	11.6
93.07040	14.6
95.04967	3.4
95.08603	13.8
97.06538	1.0
97.10174	7.1
99.08087	1.0
105.04508	1.0
105.07018	1.6
107.08597	3.3
107.09270	0.6
109.06515	21.7
109.10126	5.3
110.06876	0.8
111.08080	6.8
111.11726	2.4
119.08601	1.0
121.06518	1.7
121.10110	1.0
123.08056	2.5
123.11729	3.1
125.05991	5.1
125.13213	0.7
127.07558	2.6
127.08427	0.7
131.08565	1.0
135.08073	1.4
135.11743	1.3
137.05972	87.6
137.13271	2.5
138.06296	1.9
139.07552	5.4
145.10094	1.0
147.11690	0.7
151.07539	16.3
153.09116	2.8
155.06984	3.3
159.11703	0.8
163.07539	0.8
163.11113	0.8
163.44902	0.6
165.09117	8.1
167.10716	3.1
173.13313	1.1
176.65941	0.8
177.09126	1.4
178.08638	0.9
179.10638	7.7
181.12273	2.3
191.10674	1.0
193.12306	5.2
195.13789	1.4
205.12277	2.6
207.13806	2.7
219.13857	1.7
221.15315	1.7
249.18625	1.2
263.20032	2.4
265.21732	0.8
275.20010	1.0
277.21756	1.0
281.28476	2.4
289.21646	0.9
302.62692	0.7
319.26056	0.8
399.01254	0.7
401.34116	36.0
402.34399	3.4
419.35199	100.0
420.35489	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	420.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98450	0.8
60.99649	0.7
73.53146	0.8
85.02869	1.2
89.08221	0.9
94.93029	6.0
116.07079	1.6
120.00677	0.8
136.94025	10.4
137.94336	1.3
138.93823	3.7
141.54008	0.9
146.08109	1.2
148.94037	2.4
149.94354	1.4
150.93883	1.2
158.99069	0.9
163.03897	19.6
166.06010	0.9
166.95110	4.9
167.95457	1.4
168.94897	2.3
172.02625	0.9
196.96172	1.9
218.98676	0.8
223.06038	8.4
235.07011	0.9
247.91286	1.1
248.89645	8.2
420.12659	100.0
421.03149	1.2
421.14154	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	420.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78778	0.8
67.73786	0.9
71.20349	1.3
73.96516	0.9
77.87509	0.9
78.81541	0.9
85.02930	1.5
98.97578	2.6
107.04951	1.0
108.10262	0.9
108.36389	0.9
110.97581	1.0
135.04437	1.5
163.03902	81.6
164.04242	2.1
170.99692	1.0
177.05478	2.5
205.05022	5.9
219.01743	4.9
223.06017	41.7
224.06390	2.6
237.02882	4.1
265.02603	1.0
268.62744	0.9
273.06396	1.1
273.09167	1.5
303.07605	4.2
321.08600	5.5
392.11963	1.4
420.12524	100.0
420.38284	1.0
421.12439	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	420.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62115	0.4
61.42051	0.4
68.99801	0.9
69.03442	0.7
70.32507	0.4
70.96130	0.6
82.85046	0.3
85.02911	1.6
87.33208	0.3
97.00418	0.3
97.02885	0.7
102.49257	0.4
107.04983	0.5
110.64909	0.3
131.04996	0.5
135.04446	1.4
139.03932	0.5
149.05992	0.8
163.03897	100.0
164.04214	3.0
177.05478	2.2
195.06506	0.8
205.04936	5.7
206.05252	0.4
223.06004	54.7
224.06400	2.5
225.89032	0.3
229.50900	0.4
232.44669	0.3
273.77356	0.4
397.66934	0.4
421.16519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55170	0.7
53.03941	1.3
55.05503	2.1
56.10786	0.8
57.03436	3.8
57.23559	0.7
59.04980	0.9
61.02914	2.0
69.03429	6.3
70.09425	0.9
70.09757	1.7
72.65583	0.7
73.02917	4.8
79.05499	1.2
81.03390	1.5
83.04968	2.3
85.02903	9.5
87.04457	2.1
91.04946	1.0
91.05486	13.2
95.01320	0.8
95.04961	2.4
97.02895	12.1
101.06001	2.2
105.07017	0.9
107.04951	1.6
109.02877	1.5
113.02299	1.2
115.03957	6.2
117.06984	1.0
119.04985	2.2
121.44572	0.7
125.06017	1.8
127.03899	3.2
133.04938	4.9
133.06519	0.8
135.04414	100.0
135.08058	1.9
136.04745	1.9
137.05997	0.9
141.01801	1.1
143.07033	1.6
145.04945	5.9
147.04413	15.6
149.05965	1.0
153.05498	5.5
155.06981	1.6
157.97313	0.7
161.05968	2.8
163.07529	10.6
177.09125	3.3
179.07048	9.1
191.06970	3.8
205.08597	5.2
207.06419	1.5
209.08046	1.2
217.52386	0.8
223.09654	38.7
224.10007	1.5
227.09137	8.5
231.06516	2.0
241.10692	10.5
245.10213	1.6
249.07494	1.4
255.56813	0.9
289.10843	0.8
295.10242	1.2
311.07629	3.3
385.11243	1.4
438.47681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.0
57.03440	4.1
61.02938	3.2
69.03431	8.5
69.07013	2.1
70.29440	2.6
70.29760	2.0
73.02897	3.6
81.03421	1.9
85.02910	19.1
87.04497	1.8
91.05478	6.5
95.08608	2.1
97.02885	5.7
98.23366	2.6
101.06021	3.2
106.02854	2.1
107.08595	2.1
115.03915	4.4
123.04478	2.5
124.03956	4.8
125.05981	3.4
127.03913	3.4
131.08585	2.6
133.04956	3.0
133.06509	7.2
135.04443	2.8
137.05939	4.0
139.03860	3.8
145.04930	6.2
145.06387	1.9
147.04431	3.6
149.05988	4.6
149.09607	4.1
151.07509	2.0
153.05478	20.5
159.08081	4.2
161.05975	62.7
162.06322	2.5
163.06273	2.8
163.07529	12.4
167.07043	4.7
177.05527	5.0
177.09117	18.6
179.07034	41.5
187.07535	3.2
195.02881	1.8
205.08627	25.4
223.09660	89.1
223.13193	4.1
224.10017	4.1
227.94150	1.9
241.10707	100.0
241.14430	3.3
242.11078	5.8
316.38657	2.1
420.08936	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03421	1.0
59.48255	0.6
61.02927	1.0
69.03418	3.1
69.51256	0.6
69.52857	2.8
73.02901	0.6
79.05478	1.4
81.03408	1.1
85.02908	10.1
91.05479	6.7
94.47099	0.6
95.04966	1.0
97.02895	3.7
99.04478	1.1
107.04939	4.1
115.03928	1.0
117.06994	1.9
119.04945	7.6
121.06499	1.2
123.04424	1.9
125.05987	2.4
127.03918	1.1
131.04913	2.3
133.04971	0.7
134.99638	0.8
135.04472	0.7
135.08076	2.3
137.05997	2.9
139.03912	1.5
140.04671	0.9
145.04938	1.3
145.06490	2.2
147.04408	51.8
148.04750	2.3
149.05989	2.8
153.05449	12.1
155.07027	2.4
163.07532	30.6
164.07898	1.1
167.06993	2.1
173.05989	2.7
177.05481	1.3
177.09105	8.5
179.07028	20.8
180.07288	0.9
181.04897	1.1
191.07031	10.0
195.10062	0.7
198.29845	0.7
205.08615	18.4
223.09650	100.0
224.09987	4.0
227.09113	2.7
241.10704	21.4
289.10553	0.9
334.90128	0.6
397.49265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78886	1.9
57.03439	23.4
59.05008	3.9
61.02951	1.6
69.03433	70.1
69.82098	1.5
70.73830	1.8
73.02918	3.8
79.05479	1.9
81.03423	2.9
81.59682	1.4
85.02910	54.6
87.04470	47.4
91.05484	100.0
92.05833	2.3
97.02899	64.2
98.03203	1.9
99.04425	2.6
101.03916	1.8
102.24451	1.6
105.07030	3.4
107.04986	6.7
115.03933	76.1
127.03918	5.2
129.07011	2.0
133.04965	81.8
133.06541	3.9
134.05322	1.9
135.04433	7.0
145.04967	9.7
150.07596	10.5
155.07025	2.0
161.04396	4.0
163.06015	3.6
175.07567	3.3
175.24606	1.6
205.08640	2.2
217.08565	3.0
223.09711	10.0
236.78595	1.9
254.60077	2.2
259.08160	4.6
277.09207	2.9
278.30536	1.7
295.10138	3.2
342.66385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
61.02920	0.8
69.03410	1.9
69.32967	0.8
69.33372	1.9
79.05482	0.7
81.03419	0.9
85.02904	6.7
90.41582	0.4
90.53894	0.4
91.05497	0.8
93.06996	0.7
97.02895	1.6
103.05463	3.4
105.07027	1.3
107.04934	4.5
109.02829	0.4
115.05413	0.8
117.07020	1.2
121.06512	1.3
121.10145	0.5
124.05205	1.8
125.05992	5.3
127.03917	0.7
131.04939	1.6
135.08055	8.2
137.05975	1.3
139.03883	0.5
139.07544	9.2
145.04970	1.1
145.06487	17.9
145.10123	0.7
146.06839	0.5
147.08026	1.0
149.05951	0.9
151.07539	2.4
151.62280	0.5
154.06187	1.3
159.04419	0.6
163.07545	18.2
164.07799	0.6
165.05481	0.8
166.06212	0.9
167.07045	7.3
167.10698	0.9
173.06013	3.7
176.04738	0.8
177.09094	1.0
180.07811	11.9
181.08641	2.4
191.07028	16.3
192.07597	1.0
193.05055	0.6
193.08598	0.9
195.10161	1.8
205.08635	2.3
205.12289	3.0
208.07259	0.6
209.08052	1.0
223.09651	100.0
224.10017	4.7
225.75545	0.4
241.10706	24.2
241.14360	1.6
242.10995	1.0
283.58255	0.5
288.76837	0.4
310.32880	0.4
383.03479	0.5
395.38672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.2
55.05516	7.3
57.03437	23.4
59.04999	4.3
61.02915	3.7
67.05494	6.8
69.03429	48.3
69.07085	2.6
71.05000	8.9
73.02922	13.1
75.04481	3.1
78.84803	2.7
79.05503	8.4
81.03423	8.6
81.07053	10.2
83.04980	10.2
84.04537	3.1
84.70867	3.0
85.02904	54.5
85.06552	6.9
87.04469	22.1
91.04013	3.1
91.05498	8.7
93.07026	16.0
95.04986	6.0
95.08601	14.8
97.02882	43.3
97.06551	7.7
99.04468	8.4
99.08105	3.1
105.07030	27.1
107.08614	19.9
107.09227	4.2
109.02869	4.8
109.06513	38.5
109.10146	17.6
111.04439	5.0
111.08089	12.4
115.03918	47.0
115.05394	3.1
117.06966	4.7
119.08567	16.6
121.06512	6.9
121.10143	100.0
123.08072	36.0
125.06004	9.4
125.09612	16.7
127.03930	12.9
131.08600	3.2
133.04971	38.6
133.10130	9.6
135.08058	7.0
135.11723	21.5
137.05986	18.7
137.09641	8.8
139.03886	20.0
139.07613	4.6
145.04955	9.4
145.10123	21.9
147.08055	7.5
149.06015	6.8
150.07619	7.2
151.11163	8.8
153.12738	4.4
159.11700	9.3
161.09579	5.5
163.11186	45.4
165.09117	7.5
167.07094	11.3
177.12767	12.2
179.10629	12.9
181.12221	30.9
187.11180	7.4
193.12305	9.1
195.13843	12.9
197.11823	3.3
205.12225	57.3
223.13272	52.3
241.14372	5.8
273.53531	3.5
280.19000	3.8
311.09064	3.7
316.53363	3.4
395.77597	3.2
420.20734	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01866	0.4
55.05511	0.6
55.98254	0.3
57.03439	0.7
57.07075	0.4
59.76151	0.3
65.03934	0.4
67.05506	1.3
69.03419	2.6
69.07063	0.8
69.62081	1.2
71.04991	0.5
73.02912	0.4
79.05490	5.0
81.03428	1.7
81.07056	100.0
82.07391	1.9
85.02905	8.5
87.00829	4.1
89.96417	0.3
93.07057	0.4
95.04961	0.4
95.08604	6.3
96.08981	0.5
97.02892	3.5
98.23452	0.8
99.04457	0.9
105.01862	9.6
108.04492	0.4
109.02890	2.0
109.10138	0.6
119.08629	0.4
127.03922	7.6
128.04314	0.4
137.13254	31.2
138.13620	1.1
145.04959	5.1
154.15916	0.8
159.02881	1.6
164.08051	0.3
177.03951	0.4
213.03992	0.4
231.05006	4.0
249.05978	2.7
272.20239	0.7
284.09680	1.9
290.21295	0.5
368.16461	0.4
402.22885	0.8
420.24020	2.4
421.21832	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56604	1.4
67.05491	1.9
69.03407	2.1
70.16509	1.4
71.45331	1.5
85.02911	5.3
85.06544	13.7
88.63933	1.7
91.05496	5.2
95.08609	2.4
97.02875	3.5
98.97246	1.2
109.02927	1.5
109.06456	1.8
115.53226	1.4
117.07098	1.6
121.06512	4.0
123.08035	1.7
124.19193	1.7
127.03919	3.2
135.07190	1.5
135.08064	9.6
137.05991	5.1
138.06738	3.1
139.03903	3.4
143.08546	1.5
145.06517	3.2
145.10136	10.1
149.05954	1.8
151.07536	20.3
152.04720	3.8
153.09111	2.1
155.08521	1.8
158.07292	2.2
163.07516	11.1
165.09123	5.5
167.06956	2.4
173.06020	1.5
173.09633	9.3
174.10376	4.0
175.07578	4.8
176.08340	5.3
177.09105	6.7
177.12706	4.1
179.10666	33.5
180.07826	4.1
181.08583	17.8
190.09955	10.3
191.07054	4.7
192.07849	2.0
205.12245	100.0
206.12581	4.2
208.07333	1.7
223.04323	1.7
223.09749	36.3
223.13269	87.5
224.10080	1.6
224.13585	3.9
241.14333	29.6
242.14702	2.4
247.13176	3.0
331.15567	1.5
334.13480	1.4
436.63068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17196	1.1
59.04986	1.9
63.41842	1.2
67.05481	1.3
69.03436	2.2
69.79204	3.8
71.04996	3.2
79.05506	1.2
85.02897	6.7
85.06557	3.4
91.05489	1.9
93.07037	1.2
96.69950	1.1
97.02909	1.8
97.90206	1.2
103.05488	1.5
105.07040	2.9
106.02909	2.0
107.04978	1.6
107.08648	1.2
117.07052	1.6
121.06485	4.6
123.08067	2.6
124.03936	3.4
125.16225	1.1
125.89855	1.2
127.03999	2.2
133.06490	2.8
135.08096	6.1
136.05249	1.9
137.05937	2.5
137.09616	4.3
139.03899	2.8
139.07559	2.3
145.04964	1.5
145.10104	6.3
149.09607	1.5
151.07549	100.0
152.07994	2.5
153.09024	3.2
158.07249	1.5
163.07600	2.8
165.09129	49.9
166.09464	1.6
173.09627	3.8
175.07649	6.4
176.08223	1.3
177.09154	2.8
177.12752	29.4
179.10722	1.5
181.08629	6.8
184.68092	1.2
189.09143	2.4
190.09909	5.6
205.12251	87.9
206.12569	4.2
217.08569	4.4
223.13300	71.8
224.13638	3.7
241.14346	74.7
242.14685	3.6
247.13496	2.0
268.08154	2.1
277.10504	1.5
287.05988	2.3
300.78268	1.2
307.15277	2.1
331.15414	1.6
415.07132	1.5
420.12564	1.9
420.26511	4.3
421.11682	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	19.9
60.58473	3.0
65.97042	2.7
67.05509	2.8
69.03434	7.0
70.26783	3.1
71.01318	3.4
71.04991	11.2
71.45993	4.2
79.05477	3.4
81.07053	6.4
83.04989	8.8
83.07801	3.3
85.02908	7.9
85.06539	8.1
89.06032	6.4
91.05506	3.9
93.07043	6.5
94.90651	2.8
95.04965	6.7
95.08604	8.3
97.02912	3.1
97.06522	4.0
99.04453	6.9
103.37074	2.8
105.07033	4.8
107.08604	14.0
109.06515	10.1
111.08090	43.8
121.02852	10.3
123.04440	5.4
123.08061	100.0
124.08405	3.9
125.09612	46.2
135.04468	3.3
135.08060	71.3
135.11685	4.4
136.08806	10.3
137.09654	16.3
147.08141	3.2
149.09630	7.8
151.07565	4.2
153.09100	44.3
161.09607	4.7
163.11192	5.6
165.09149	18.9
177.12735	17.1
187.11195	6.0
201.05478	6.4
205.12276	43.2
223.13268	60.2
223.15276	4.5
241.14314	75.1
242.14746	4.3
378.75137	3.5
410.22141	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25049	0.3
53.03944	1.1
55.05505	0.7
57.03445	0.7
57.07072	2.1
61.02937	0.4
65.03927	0.4
66.04724	0.4
67.05508	3.9
69.03426	2.7
69.07066	4.3
69.43680	0.5
69.44073	0.7
71.08638	0.4
71.45903	0.3
73.02912	0.7
79.05498	6.4
81.03423	2.3
81.07056	100.0
82.07402	1.7
85.02906	7.4
87.00830	3.1
93.07044	0.6
95.04978	0.4
95.08607	19.7
97.02895	4.9
99.04464	1.2
104.99264	0.7
105.01864	7.3
107.08648	0.3
107.18689	0.4
108.04478	0.4
109.02872	1.8
109.10152	1.2
111.33729	0.3
117.88702	0.3
118.95305	0.3
123.11751	0.4
127.03918	8.0
134.24620	0.3
137.13252	20.6
138.13556	0.8
143.70889	0.3
145.04956	6.4
149.02385	1.2
151.03912	0.5
154.15892	0.6
159.02899	1.3
164.83521	0.3
183.96420	0.3
193.04997	2.2
213.04018	0.4
217.94499	0.3
231.04962	3.2
237.07637	0.6
248.07596	0.3
249.06091	1.7
262.98178	0.4
274.97525	0.4
284.09827	0.7
292.98718	0.4
308.64081	0.4
338.38406	0.4
338.96844	1.5
356.97845	0.5
373.19412	0.3
385.09277	0.9
390.86609	0.4
420.20822	0.6
421.21878	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61680	0.6
53.03959	0.6
57.03417	0.6
57.07077	1.9
61.02933	0.6
67.05503	2.9
69.03419	2.0
69.07066	2.5
69.43657	0.7
69.43985	2.9
71.04993	0.8
78.42363	0.6
79.05495	7.3
81.03418	1.4
81.07053	100.0
82.07385	1.8
85.02900	7.7
87.00821	2.4
93.07082	1.3
95.08603	13.1
97.02874	4.8
98.23539	1.2
99.04448	1.2
104.99297	0.9
105.01872	5.8
109.02874	2.3
109.10131	1.0
127.03898	7.2
137.13252	24.8
138.13626	1.1
145.04971	7.1
159.02881	1.2
205.19769	0.6
222.60712	0.6
231.05038	2.1
249.06242	1.5
265.96332	0.6
274.97546	1.0
284.09756	1.4
338.96719	2.0
420.20865	3.5
421.21982	14.9
421.92017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94292	5.0
57.18970	4.5
68.76136	5.1
69.31480	23.8
71.04999	11.0
79.05502	5.8
81.03420	11.0
81.07059	7.5
85.02900	21.1
91.05481	8.4
93.07054	7.3
93.72593	5.5
97.02889	6.3
98.22753	10.1
105.07020	17.1
107.08579	13.4
109.10103	6.1
121.06474	7.2
121.10139	9.6
127.03883	9.9
129.29210	4.7
131.41605	4.4
133.10114	57.0
135.08028	13.8
137.05997	7.9
137.09621	39.6
149.13242	6.6
151.07539	100.0
152.08026	5.2
153.09116	13.9
154.13248	6.2
165.09125	83.2
165.20116	5.3
177.09169	9.9
181.08525	5.0
190.09898	8.8
191.14325	33.5
205.12242	92.0
207.13734	6.4
217.12146	6.9
223.13289	61.4
233.11673	9.7
241.14355	79.5
251.12860	5.1
254.81438	5.8
331.15497	5.1
421.22110	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	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62693	0.3
53.03933	0.8
55.01873	0.5
55.05519	0.6
57.03429	0.5
57.07066	0.9
62.52147	0.2
63.20953	0.3
67.05505	3.3
69.03435	1.0
69.07063	1.4
70.97553	0.3
71.08610	0.3
79.05490	7.3
81.03410	1.0
81.07053	100.0
82.07385	2.2
85.02896	4.3
87.00803	1.3
93.07040	0.6
95.04996	0.6
95.08604	13.5
96.08982	0.3
97.02891	2.1
99.04449	0.8
105.01855	2.9
105.07015	0.4
105.20718	0.3
109.02877	0.9
109.10169	0.8
127.03896	3.5
137.13245	22.4
138.13600	0.8
145.04961	2.7
154.15927	0.3
159.02872	0.8
174.28905	0.3
231.04945	1.3
248.07799	0.4
329.21054	0.3
331.79868	0.3
420.20865	0.4
421.21994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03942	3.3
55.05507	1.8
59.05006	1.6
67.05489	5.5
68.11346	1.4
69.03404	2.2
69.83621	4.0
70.25667	1.4
77.03920	3.9
77.07996	1.2
78.69332	1.4
79.05478	3.6
81.07054	7.9
85.02900	1.7
87.04448	4.0
89.06028	53.6
91.05478	17.8
93.07040	35.7
94.07350	2.0
95.04961	16.6
95.08579	3.6
97.02886	1.7
98.23460	2.7
103.05437	9.8
103.06016	1.2
105.04506	5.6
105.07037	2.3
107.08568	4.7
109.10150	4.8
119.04928	3.6
119.08569	4.5
121.06500	100.0
121.10140	1.9
122.06839	2.1
123.11706	2.2
126.65775	1.3
131.07062	2.1
133.08600	37.4
135.08073	1.4
135.11674	3.6
141.45396	1.3
147.08052	5.4
147.11780	1.4
162.13750	1.3
163.11214	1.6
165.09102	44.8
167.10693	1.8
170.59363	1.5
177.11212	13.9
205.15831	2.6
205.19481	3.2
209.11723	20.4
223.16942	6.3
253.14325	2.1
295.14911	1.6
315.17868	2.7
403.23212	22.8
420.20486	3.2
421.14447	2.8
421.21835	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	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.2
57.07080	8.0
61.92532	2.7
67.05505	3.6
69.07071	16.7
81.07056	12.6
83.08628	9.0
93.07050	3.9
95.08602	7.4
95.19005	2.8
97.10176	9.9
107.08581	4.0
109.10177	4.3
121.10107	3.6
123.04437	100.0
125.06017	7.0
137.06050	3.9
139.07565	3.8
141.14700	3.2
149.05994	12.5
161.05965	13.8
165.05447	7.0
171.13805	6.4
175.07584	8.0
179.07047	7.6
189.09106	16.9
191.10687	8.4
203.10648	13.6
217.12251	5.2
231.10135	4.0
245.11964	3.5
332.66837	2.9
343.26398	44.1
343.44876	3.0
361.27368	12.5
385.27457	6.6
390.17856	3.3
403.28149	3.9
403.35837	3.7
404.04718	3.3
420.22861	19.1
421.36911	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	420.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
57.07086	3.8
67.29429	1.8
69.07072	5.9
83.08598	2.4
84.28738	2.0
95.08593	2.4
102.74627	2.2
123.04431	100.0
137.06024	3.1
150.09047	2.1
174.73723	2.3
292.77438	1.9
319.26306	61.3
320.26663	4.4
361.27289	11.5
420.30829	3.2
421.36496	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97593	24.3
55.05502	41.0
57.07079	45.6
61.60250	28.1
62.02121	30.3
67.05495	29.6
69.07065	44.0
69.53019	43.1
69.53412	75.0
71.08611	29.4
81.07050	53.3
89.06023	46.8
92.99886	30.3
95.08607	47.3
98.98494	40.6
123.04401	46.0
124.90495	28.5
133.08586	38.2
137.06007	52.8
155.01054	100.0
185.18826	26.4
195.91692	32.9
202.87306	27.8
323.60529	31.7
355.68460	31.4
361.27454	38.6
420.21805	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
75.01228	70.4
114.63315	66.6
137.02225	69.6
142.16524	77.0
144.12975	68.6
171.13803	100.0
177.43274	76.0
212.34955	70.2
232.72876	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70879	31.5
64.61507	27.7
67.96980	26.9
69.88916	96.3
89.06033	55.8
98.22983	100.0
98.98442	52.0
137.05959	62.3
155.01048	55.5
164.63260	35.4
187.84309	29.3
247.18851	35.9
247.34103	28.1
257.95844	27.3
379.18521	40.3
420.31134	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24747	0.7
70.82771	1.3
70.89980	0.7
81.03378	0.9
84.08095	0.7
85.02918	2.0
97.02920	1.2
98.97588	1.4
100.02223	1.5
101.33517	0.8
119.01929	0.7
127.02127	2.3
138.05484	1.2
143.01866	2.3
153.01860	0.9
161.02992	2.2
170.02678	1.3
171.01152	1.1
179.07024	2.5
180.06503	1.0
203.03993	1.3
212.03848	3.4
212.23814	0.7
213.06873	1.7
224.06393	0.9
259.07581	1.2
259.16724	1.0
301.08466	2.1
421.14700	100.0
422.15082	5.4
430.19855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13137	0.3
71.45448	0.4
81.07048	0.7
131.00970	0.3
165.07021	0.3
185.04265	0.7
224.30101	0.3
259.13046	3.4
351.75568	0.3
417.61627	0.3
421.18356	100.0
422.18692	8.0
429.64798	0.3
448.00266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1833
Annotation	Arg Asp Met
Peak:m/z	Relative Intensity
68.53381	0.3
81.06615	0.2
81.07071	0.8
95.08604	0.4
137.05998	0.5
144.42043	0.2
185.04189	0.8
259.13068	2.8
275.78589	0.3
327.66837	0.3
421.18335	100.0
422.18661	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	421.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62603	0.3
60.84464	0.3
67.05496	0.2
67.34193	0.2
69.44239	1.0
79.95225	0.2
93.07017	0.3
95.08596	0.3
98.22607	0.2
102.63738	0.3
104.99257	0.4
105.07052	0.3
117.07028	0.4
119.08620	0.3
120.61596	0.3
126.30256	0.2
133.10158	0.2
191.37784	0.2
201.03685	0.3
203.05258	6.5
331.81448	0.2
377.90790	0.2
393.89899	0.3
421.21942	100.0
422.22305	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	421.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35653	0.2
69.22000	1.2
79.05508	0.4
81.07049	0.3
87.40498	0.2
105.07022	0.4
107.08686	0.2
145.10144	0.2
201.03697	1.3
203.05260	1.4
248.16209	0.2
326.08762	0.2
338.96841	0.4
403.74231	0.3
421.21945	100.0
422.22296	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	421.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04236	0.4
56.92417	0.3
57.11612	0.3
69.17342	1.6
71.57047	0.3
72.71618	0.4
93.77423	0.3
98.23435	0.7
100.48338	0.4
111.92474	0.3
121.68702	0.3
128.19493	0.4
382.35123	0.3
421.23508	100.0
422.23868	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	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03940	0.5
55.05507	2.3
56.09519	0.3
59.22031	0.3
61.02933	0.4
65.03934	1.1
66.99838	0.3
67.05505	22.9
68.61945	0.4
69.07071	1.7
69.70650	1.4
70.06584	0.6
77.03915	0.5
79.01891	0.3
79.05495	6.7
81.07056	19.0
83.01343	3.5
83.08629	0.9
91.05481	2.7
93.07040	3.9
95.04960	1.0
95.08604	18.3
98.97591	0.8
104.99277	1.7
105.07034	0.7
107.04943	0.6
107.08603	1.7
109.06534	2.6
109.10149	3.4
116.07095	1.2
117.07022	0.8
119.04996	0.4
121.06525	2.3
121.10161	1.9
123.04408	0.4
123.08054	1.4
123.11712	1.2
125.05991	1.2
131.08578	1.0
134.71049	0.3
135.08072	1.8
135.11690	0.6
137.05975	100.0
138.06306	2.8
138.23895	0.3
145.06500	0.7
148.05202	0.4
149.06064	0.5
149.09604	2.9
151.07538	11.0
152.07907	0.4
159.08075	1.4
161.05922	0.5
162.06702	1.2
163.07536	26.1
163.14870	0.4
164.07843	1.0
165.09138	1.0
173.09566	0.5
175.07562	0.8
176.08191	0.6
177.09105	49.8
177.16391	0.5
178.09482	2.2
179.10687	0.5
185.36128	0.4
187.11348	0.4
189.09166	0.5
191.10670	15.4
191.12428	0.7
202.69728	0.3
205.12259	6.4
217.12167	0.5
219.13696	2.8
220.13982	0.4
229.00577	0.4
231.13916	0.5
235.16806	0.5
262.98077	0.6
301.21625	14.6
302.21924	0.8
319.22705	4.9
320.23077	0.7
338.96741	2.0
361.23611	1.3
421.21201	0.6
421.78372	0.4
443.35187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
50.24111	0.5
52.44014	0.5
53.03948	0.8
55.01862	1.9
55.05307	0.5
55.05514	6.2
57.03434	0.6
57.07082	4.6
59.43723	0.5
66.24675	0.5
67.05505	7.3
69.07069	11.2
70.70071	1.0
71.08633	2.4
79.05489	0.9
81.07053	2.7
83.04967	0.7
83.08617	6.9
85.10181	1.3
86.09705	0.5
91.05505	3.2
93.07044	29.1
94.07364	0.5
94.46748	0.5
95.04958	2.0
95.08023	1.1
95.08614	18.9
97.06538	1.3
97.10174	4.4
102.26426	0.5
105.04509	1.2
105.31201	0.5
107.08588	4.0
109.06507	0.6
109.10155	1.5
111.08077	16.0
111.11719	1.6
119.08564	0.8
121.06520	1.8
121.10154	1.3
123.08076	1.1
125.09631	1.6
127.07548	2.9
127.49721	0.5
132.75845	0.5
133.10136	1.0
135.08044	1.0
137.09592	1.0
139.07541	19.7
140.07922	0.8
149.09662	0.6
151.11166	1.2
153.09109	9.9
153.10274	0.8
157.08653	2.6
165.09146	0.9
167.10655	6.6
177.60757	0.5
179.10657	1.2
180.10110	0.6
181.12251	5.7
184.69527	0.6
193.12268	1.1
195.13783	4.0
207.13756	1.5
209.15346	2.3
221.15413	0.8
223.17082	0.9
235.16922	0.6
237.18562	1.5
239.69879	0.5
251.20018	1.0
265.21637	2.3
277.21701	0.9
279.23392	0.9
293.24954	0.5
307.10187	0.6
326.71701	0.6
335.29315	0.6
337.58975	0.5
403.35724	26.4
404.36115	1.8
421.36771	100.0
422.37109	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	422.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.3
60.61491	1.2
65.03949	8.5
67.05521	1.4
67.85242	1.1
69.03434	3.5
75.04487	7.3
78.20784	1.3
81.03455	1.5
85.02906	13.5
91.05499	1.7
93.03410	18.5
95.04991	3.4
97.02891	3.7
107.04929	2.3
109.02911	1.7
109.06522	2.4
110.03673	4.1
111.04448	28.0
117.36374	1.1
123.04458	2.9
125.05998	32.7
127.03935	3.0
135.08087	2.1
137.05991	6.0
145.04999	2.0
147.04530	1.5
151.03928	22.2
151.05045	2.7
154.02600	9.4
161.02988	2.9
163.07599	3.4
165.05476	3.8
167.03467	1.6
167.07169	1.3
169.04974	85.8
170.05299	3.1
179.07051	6.8
183.06476	2.4
192.04015	1.1
197.08138	8.9
207.06506	2.0
225.07593	7.1
243.08655	100.0
244.09021	1.8
255.03482	1.4
261.02377	1.2
279.03555	4.5
293.04996	1.1
304.94565	1.2
324.83389	1.5
381.06738	4.8
399.07941	5.9
400.07947	1.6
423.12775	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	422.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72409	0.8
55.01879	0.9
57.03435	14.3
61.02926	1.2
65.03941	11.0
69.03429	2.6
69.70062	2.7
73.98365	1.0
75.04480	6.7
83.65762	1.0
85.02910	11.0
93.03408	26.2
97.02885	4.0
98.04417	1.0
102.60437	0.8
107.05000	1.8
108.96980	0.9
109.02805	0.8
110.03646	5.3
111.03691	1.1
111.04449	19.9
125.05997	33.7
127.03910	2.1
135.08047	1.3
145.05013	1.2
147.04268	0.9
151.03908	27.3
151.04922	1.5
154.02594	8.7
163.07594	5.6
169.04964	100.0
170.05299	1.4
185.38319	1.1
198.29076	0.9
207.06546	3.5
225.07571	8.1
243.08643	81.8
244.09093	2.4
260.06570	1.8
261.07434	2.9
423.12698	22.0
438.68982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.4
55.01872	12.7
57.03435	5.1
61.02926	5.7
67.05486	2.6
68.99795	3.6
69.03429	34.2
69.07066	1.9
70.31981	2.0
71.04998	6.3
73.02921	10.1
75.04011	1.1
81.03419	32.2
82.77347	1.4
85.02902	100.0
86.03216	1.6
87.00826	40.7
87.04482	1.7
91.03963	2.0
93.07085	1.4
97.02892	57.1
98.03193	1.7
98.23441	1.5
99.04465	15.6
105.01865	59.1
108.04486	6.1
109.02262	0.9
109.02877	36.1
117.01888	5.1
126.05534	3.3
127.03909	77.5
129.01851	4.0
139.11195	3.9
145.04953	46.3
146.05247	1.4
147.02869	2.6
156.10139	1.4
159.02907	23.5
177.04018	2.0
203.05304	4.6
210.02374	1.4
213.03979	4.5
230.06602	2.1
231.04967	19.5
248.07706	2.6
249.06108	3.3
263.28885	1.2
387.16556	2.8
422.22256	17.2
423.23529	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01868	1.7
55.05259	2.0
55.05511	31.8
56.05844	1.7
56.69476	1.4
57.03418	1.8
57.07081	15.9
62.57317	1.3
67.05505	7.1
68.05827	1.6
69.03421	5.2
69.07066	28.3
71.04998	2.2
71.08629	3.0
73.02906	1.6
79.05464	2.5
81.03411	5.3
81.07059	13.0
82.07378	1.6
83.08618	100.0
84.08952	2.0
85.02911	13.8
87.00830	3.9
91.05503	2.1
93.07061	2.7
94.07338	1.8
95.04948	3.1
95.08598	2.2
97.02890	12.6
97.10164	11.5
99.04462	3.1
105.01851	15.0
105.07038	1.8
109.02888	3.8
109.10176	3.6
112.25949	1.4
121.06451	1.6
127.03918	16.4
131.08658	1.6
139.14813	17.4
145.04971	12.4
159.02864	2.4
173.11870	1.6
194.12427	1.6
231.05013	6.0
249.06148	2.6
260.09326	1.7
275.73236	1.6
326.62839	1.6
330.21387	4.4
404.25012	4.6
422.22061	7.2
422.26120	6.8
423.23456	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23838	1.1
55.01867	2.6
55.05507	3.1
57.03431	2.1
62.80764	1.2
67.05501	11.4
69.03430	4.8
69.07063	12.8
71.04975	4.0
73.06569	1.4
79.05480	3.3
81.03415	2.1
81.07055	13.0
82.12727	1.2
83.04971	3.5
83.08600	2.0
85.02897	5.9
85.06551	2.0
87.00822	1.9
91.05473	3.8
93.07031	6.7
95.04966	31.3
95.08612	10.5
97.02855	2.2
97.06511	5.3
99.04463	9.4
105.07024	8.9
107.08596	19.2
107.09277	2.2
109.02929	1.5
109.06498	5.4
109.10139	4.5
111.08076	16.0
113.05987	1.4
115.07562	5.2
117.06956	1.6
119.08565	6.9
121.10149	11.0
123.08032	6.1
123.11680	7.7
127.03876	2.9
127.07535	2.3
127.11178	1.3
133.10100	2.1
135.08052	4.4
135.11688	2.4
136.06157	2.3
137.05939	2.0
137.09592	2.5
137.13301	1.4
139.11169	5.6
143.08624	1.4
147.11685	22.4
149.06165	1.4
149.09697	1.1
153.12744	3.7
161.13235	3.1
163.11159	3.5
165.12749	100.0
166.13089	5.3
167.07042	1.5
171.11542	1.3
179.14282	1.6
181.08586	2.8
189.12772	4.5
199.13319	14.5
207.13803	16.7
225.14828	21.5
243.15987	6.3
250.11554	1.9
254.64017	1.2
260.06543	3.9
261.07315	7.2
394.07797	1.4
422.25320	1.6
423.12439	23.3
423.17514	2.2
437.25522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28714	1.5
53.88339	2.1
55.05511	6.1
57.03433	3.9
57.07077	4.1
59.04985	2.1
67.05490	10.0
69.03440	8.7
69.07061	7.3
69.17555	5.5
69.17964	4.9
71.04990	2.9
76.27771	1.6
77.03905	1.9
79.05499	4.2
81.03415	9.3
81.07066	16.3
83.05000	5.6
83.08594	2.4
84.04439	1.5
85.02908	18.2
85.06538	3.9
91.05474	4.5
93.07052	10.3
95.04967	7.1
95.08604	28.0
97.02908	4.4
97.06487	3.3
99.04456	5.0
105.07009	8.5
106.02916	5.6
107.08570	9.7
108.15792	1.8
109.02886	2.9
109.06519	12.1
109.10173	13.1
111.08080	30.4
115.84557	1.8
116.22488	2.0
119.08578	13.4
121.10126	10.0
121.68720	1.7
123.08086	22.6
123.11715	8.4
124.03953	9.6
125.06007	3.2
125.09630	2.3
127.03943	3.4
133.06517	2.1
133.10147	4.4
135.08069	3.6
135.11699	6.1
137.02328	5.0
137.09601	6.6
137.13216	8.4
139.03897	3.5
139.11212	1.8
145.04990	4.1
145.10135	4.5
147.08066	1.8
147.11668	17.5
149.09662	6.7
151.07547	100.0
152.07886	3.7
153.09106	29.2
161.13254	12.2
163.11195	7.5
165.12737	32.1
171.10168	8.2
171.11653	3.3
179.14340	7.0
189.12730	25.5
207.13808	80.9
208.14157	3.2
225.14865	96.1
226.15227	4.1
250.07185	3.4
268.08249	4.2
268.81891	1.7
274.72507	1.8
391.19440	3.8
422.10486	4.2
423.21951	4.9
443.57455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.05513	2.6
57.03426	2.2
57.07076	1.6
58.77535	0.7
59.04983	1.0
61.02930	1.3
65.03944	2.0
67.05508	4.6
68.99797	1.0
69.03428	4.8
69.07065	2.1
69.41039	3.4
70.06576	0.8
71.04994	2.4
73.02920	1.4
79.05495	2.9
81.03413	2.5
81.07051	8.6
83.04527	0.8
83.04948	3.9
83.08601	1.6
85.02910	10.1
85.06542	2.0
87.04446	1.3
91.05486	2.4
93.03400	0.9
93.07033	5.0
95.04977	3.0
95.08606	10.6
97.02903	2.8
97.06531	3.2
97.10154	1.2
99.04454	13.1
99.08087	1.7
105.07059	4.9
106.16286	0.8
107.08595	5.7
109.02849	1.8
109.06514	2.3
109.10160	11.6
111.00817	1.3
111.04453	4.5
111.08064	2.6
113.05980	4.5
115.03952	0.9
119.08590	12.2
121.02852	1.5
121.06458	1.1
121.10141	18.6
123.04418	2.8
123.08076	8.3
123.11694	2.3
125.09601	0.8
127.03899	2.3
127.07533	1.7
127.11223	1.1
131.08601	1.3
133.10150	3.3
135.04420	2.0
135.08015	1.4
135.11702	2.8
137.06009	1.2
137.09628	8.7
137.13260	1.6
139.03902	100.0
139.11176	2.3
141.09120	1.2
145.04985	1.4
145.10117	1.8
147.08098	1.1
147.11725	3.9
149.06004	0.7
149.09592	4.2
151.03885	7.8
151.07533	20.4
151.11192	2.6
153.01805	1.2
153.05507	1.2
153.09122	1.2
155.10715	1.6
161.06082	0.8
161.13248	9.2
163.03883	6.3
163.11188	3.9
165.09117	3.4
165.12788	4.6
167.10706	0.9
169.08664	1.4
171.06532	5.2
171.11668	1.2
177.03304	0.9
179.07076	1.5
179.14294	7.2
180.08780	0.9
181.05031	1.2
181.12225	11.7
183.06557	4.8
183.13815	1.6
189.12752	5.7
193.04915	6.0
195.06462	0.8
205.04953	1.2
207.13803	21.0
208.14207	1.3
225.07668	3.4
225.11386	1.4
225.14862	29.4
226.15285	1.4
242.02554	0.8
243.08653	11.9
243.12286	1.1
243.15909	3.1
256.05716	0.8
289.07077	16.8
301.11801	1.1
301.65012	0.9
313.09219	1.1
315.07129	1.4
422.09888	1.5
423.12546	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	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05507	6.6
57.03439	2.5
58.45026	1.2
59.60234	1.1
61.08635	1.2
67.05506	4.7
69.03426	3.4
69.07065	62.9
69.51361	5.0
70.07391	1.3
71.04973	2.9
73.06561	8.3
76.27536	1.3
79.05496	6.2
81.03396	3.4
81.07056	41.0
82.07411	1.5
83.04974	3.4
83.08598	1.5
85.02893	11.4
85.06554	3.0
91.05473	1.4
93.07050	5.1
95.04966	2.2
95.08599	13.5
95.22624	1.0
97.02895	4.5
97.06528	15.8
97.10171	3.8
99.04450	35.1
99.08101	11.2
101.06032	1.4
105.07026	4.0
107.08565	7.1
109.02940	1.4
109.06516	8.5
109.10152	8.3
111.08083	6.2
113.05988	2.3
113.09638	2.0
115.03944	1.2
115.07565	85.3
116.07951	1.3
119.08559	2.8
121.10145	7.7
123.08048	6.4
123.11720	6.8
125.06029	3.3
125.09659	1.5
127.03857	2.7
127.07553	6.0
127.11217	3.8
129.09099	2.5
135.11679	1.6
136.06227	3.2
137.06035	3.0
137.09616	2.4
137.13232	9.7
139.03862	2.6
141.09117	3.9
141.16170	1.1
141.41924	1.3
145.04869	1.4
147.11703	4.5
149.09647	1.6
151.07584	1.7
151.11166	7.7
153.02016	1.3
161.13261	2.0
163.11221	2.1
165.12770	14.8
167.10805	1.1
169.08615	3.3
179.10660	1.4
180.21909	1.3
183.10226	8.5
183.13747	8.4
189.12773	1.4
207.13852	5.1
211.09795	1.5
217.64868	1.3
225.14842	100.0
226.15175	3.5
229.10719	3.6
243.12239	4.7
243.15900	32.0
244.16266	1.7
261.07431	4.5
315.36588	1.2
422.11600	2.5
422.23804	1.3
423.12338	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	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05504	2.6
57.01943	0.8
67.05502	9.4
69.03426	4.2
69.07063	5.1
69.16311	2.9
69.16742	3.1
71.04970	1.1
73.06536	1.0
79.05499	3.0
81.03403	1.6
81.07059	10.0
83.04974	2.4
85.02898	4.3
89.27179	0.9
91.05463	3.0
93.07042	4.5
95.04353	1.4
95.04967	27.7
95.08090	1.0
95.08569	5.0
97.06524	3.6
99.04449	7.3
101.82919	0.9
105.07016	7.0
107.08592	19.4
109.06508	5.8
109.10170	2.2
111.04485	1.0
111.08067	11.1
115.07568	2.7
119.08604	5.0
121.02880	1.8
121.10149	9.4
123.08082	4.3
123.11717	6.0
127.03907	1.8
133.10074	1.2
135.08072	4.4
135.11659	1.0
137.09628	2.4
137.13254	3.0
138.83951	1.0
147.08037	2.1
147.11690	20.4
161.09619	3.2
161.13261	1.0
163.11206	2.7
165.12749	100.0
166.13104	5.1
179.14256	1.1
189.12799	4.1
207.10263	1.9
207.13792	16.1
207.15614	1.6
225.11523	4.4
225.14854	21.4
226.15215	1.8
246.21292	1.0
263.13062	0.9
338.50159	1.1
349.80118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2539
Annotation	Leucostine
Peak:m/z	Relative Intensity
55.05517	6.2
56.05037	12.3
56.96557	1.0
57.03421	2.0
67.04269	0.6
67.05511	9.4
68.05037	4.2
69.07078	5.4
70.84099	1.0
71.04997	2.2
73.06558	1.0
79.05492	9.5
79.51554	0.6
80.05025	5.5
81.07058	12.3
83.04942	0.7
83.08636	1.9
84.04485	1.1
91.05469	6.1
93.05799	3.9
93.07061	5.1
94.06580	1.2
95.04977	1.8
95.07352	1.7
95.08607	6.8
96.04494	1.2
97.06527	4.6
97.10191	0.8
98.09697	25.8
98.98453	1.0
99.08136	1.2
105.07032	4.0
107.04954	3.9
107.08607	2.2
108.08123	38.7
109.06538	1.2
109.10183	4.0
110.09677	2.7
112.03957	2.5
115.07557	0.9
116.10761	1.5
117.07053	1.6
118.06548	1.1
119.08583	3.1
120.58700	0.7
121.06525	7.4
121.10137	2.1
122.09660	2.3
126.09163	1.9
129.07025	1.1
131.08545	3.5
133.06505	1.1
133.09273	0.7
133.10094	3.6
134.09662	0.9
136.11263	0.8
137.05984	1.2
137.09613	1.3
143.08606	0.9
145.06456	0.8
145.10097	2.4
147.08012	1.7
147.11673	1.6
148.11279	1.1
149.09627	20.0
149.13232	1.1
150.10080	0.7
151.14882	1.3
154.08646	10.4
155.01015	1.7
155.08652	1.7
156.10268	2.3
157.10117	0.6
158.07324	0.8
159.07999	1.5
159.11671	1.0
161.06023	0.7
161.09651	1.1
162.12714	0.9
165.09091	3.3
169.01700	0.7
169.10138	1.2
171.11682	1.1
173.06001	2.7
173.09622	2.7
180.10240	1.4
183.11740	0.8
187.07510	3.8
187.11171	2.0
187.14827	1.0
197.13206	1.6
201.09126	2.1
210.40837	0.7
213.00746	2.0
213.12727	1.0
215.14319	3.7
224.09181	1.5
225.12753	1.8
229.15935	1.8
231.13792	1.5
233.15327	5.3
243.13788	8.0
260.16455	0.8
262.18018	0.9
269.17560	1.0
294.24203	1.1
303.05444	1.3
313.21695	1.0
324.18109	0.7
331.22644	1.0
332.25793	1.3
358.23834	1.9
376.24802	0.9
386.23499	1.3
404.24295	20.4
405.24857	2.4
422.25388	100.0
423.10202	1.0
423.25729	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	422.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06292	6.8
51.81747	7.4
57.07068	9.1
67.05504	13.5
71.44776	8.6
73.52261	7.9
81.07057	16.5
83.10979	7.4
83.60551	8.5
91.05492	9.4
93.07078	11.3
95.08598	23.6
103.09892	7.7
105.07058	10.4
107.08623	13.5
109.10198	16.3
110.78390	7.3
117.08100	8.5
139.03880	12.0
141.05443	16.1
154.96317	7.9
163.03896	11.1
169.04950	53.8
182.13495	9.1
201.40097	8.1
203.27368	7.9
263.77939	8.3
267.12070	9.1
270.80737	7.7
307.22589	100.0
317.21082	14.7
335.22144	34.5
344.61563	8.8
409.80045	8.9
422.34885	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	422.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.7
57.07066	2.7
62.47905	0.8
63.66439	0.6
67.05484	2.9
69.03424	0.8
69.07061	8.3
71.08626	1.7
79.05488	1.0
81.07040	4.5
83.01337	1.9
83.08620	3.8
91.05459	1.8
91.28382	0.6
93.07025	1.8
95.08609	3.0
97.10153	2.4
98.23528	1.4
99.04435	0.7
105.07079	1.2
107.08578	1.6
109.06516	1.7
109.10162	2.2
117.07036	2.1
119.08556	1.1
121.06481	3.6
121.10200	1.6
123.04424	7.1
123.08057	1.0
125.05988	5.5
131.08556	4.2
135.08044	2.5
135.11661	1.5
137.05971	33.5
141.05431	2.2
143.08554	0.7
145.06471	2.8
145.10107	1.7
147.08064	1.4
149.05963	4.4
149.09647	4.0
149.13316	0.7
151.07489	1.8
153.05464	58.2
153.99208	0.7
154.05807	1.3
159.08058	5.8
159.11720	0.9
161.09645	1.7
162.06769	1.1
162.12000	0.6
163.07539	33.1
163.11165	1.1
173.09570	3.9
173.13251	1.0
175.11301	0.7
177.09103	61.6
178.09406	1.4
179.10696	0.7
179.14317	0.9
183.06525	0.7
185.13307	0.8
187.11218	3.4
191.10640	4.1
195.06525	9.5
199.16487	0.7
201.12773	1.3
205.08632	1.5
221.15422	0.9
237.07552	2.3
257.22592	1.1
275.23682	2.4
285.22086	8.6
285.28784	0.7
303.23178	100.0
304.23572	6.2
321.24222	11.6
345.24246	1.5
345.27869	6.4
363.25351	9.4
422.28967	2.7
422.34851	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05297	0.7
55.05513	8.4
57.07083	3.9
60.04508	0.6
67.05503	3.1
69.03423	0.8
69.06760	0.8
69.07069	9.6
69.43264	1.6
69.43652	1.4
71.08638	1.9
75.92577	0.6
77.06638	0.6
79.05480	3.8
81.07062	6.3
83.01334	4.2
83.08611	5.0
85.02951	1.0
85.06553	0.8
89.06023	1.2
91.05464	3.0
93.07037	2.2
95.08585	3.7
97.02855	1.5
97.06522	0.7
97.10160	2.2
98.22926	2.7
102.19038	0.6
105.07035	1.8
107.04954	1.2
107.08588	2.1
109.06483	3.1
109.10168	2.2
111.11661	0.6
117.07004	1.9
119.08582	1.6
120.77379	0.8
121.06515	5.7
121.10159	1.1
123.04393	2.3
125.05995	11.3
126.06329	0.7
127.11173	2.2
129.06999	1.2
131.08559	4.8
133.10091	1.4
135.08025	4.0
135.11708	0.9
137.05974	76.1
138.06311	2.0
141.05484	1.6
143.08571	1.5
145.06436	1.3
145.10147	2.5
146.50327	0.6
147.08040	1.2
149.02315	1.7
149.05983	1.2
149.09622	8.9
151.07510	2.1
153.05464	86.9
154.05826	1.7
159.08035	2.5
159.11694	2.1
161.05937	0.9
161.09624	2.4
162.06721	1.5
163.07539	42.2
164.07852	1.8
169.05148	0.8
169.10158	1.1
173.09604	1.9
173.13213	0.7
177.09105	92.2
178.06136	0.7
178.09503	2.9
179.07043	1.8
183.11667	1.3
187.11192	3.8
189.09094	1.2
189.12718	1.2
191.07028	0.8
191.10672	7.4
193.08592	2.5
195.06406	1.4
201.12715	2.9
205.12360	0.9
211.22330	0.8
215.14221	0.9
221.15295	0.8
243.21123	0.7
247.20561	2.7
257.22702	1.1
258.56088	0.6
261.22131	0.8
267.21014	0.8
275.23663	2.2
285.22107	23.9
286.22452	1.1
303.23169	100.0
304.23520	6.6
321.24255	14.4
322.24677	1.1
327.23102	0.9
345.24243	12.7
346.24628	1.1
363.25262	27.4
364.25555	3.1
387.25214	7.2
422.29047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05507	2.5
57.07072	1.4
65.03927	0.7
67.05495	2.4
69.07073	5.1
69.36829	1.1
69.37221	1.6
71.08630	0.8
75.73409	0.6
79.05504	3.1
81.07046	1.5
83.08615	3.3
93.07038	1.3
95.04950	1.2
95.08614	2.4
97.10174	2.5
103.05490	1.0
105.07022	1.0
105.76694	0.7
107.04965	6.1
109.02867	0.9
109.10190	1.4
110.03642	1.3
117.07030	2.1
119.04906	1.0
121.06496	1.1
121.10091	0.9
123.04441	10.9
123.11663	0.7
125.05997	12.8
125.06907	0.8
131.08539	1.1
133.06468	1.0
135.08006	1.4
137.05963	3.7
138.03140	1.8
141.05469	3.1
145.06508	2.6
147.04419	2.8
149.05971	10.9
149.09587	1.2
153.05467	100.0
154.05809	2.0
159.11760	0.8
161.05977	3.6
163.07539	14.6
165.05489	2.2
167.07045	1.8
173.09648	0.7
177.09106	8.5
179.07031	12.9
183.06548	0.7
193.08588	12.2
195.06534	17.3
195.08331	0.9
196.06694	0.7
271.20544	0.7
279.17026	0.6
289.21625	4.2
303.23203	23.4
304.23532	1.7
306.21896	2.3
319.22662	8.1
321.24243	32.3
322.24570	2.0
345.24252	1.7
361.23669	1.6
363.25296	37.0
364.25583	2.4
405.26422	0.9
422.35641	1.1
423.30765	1.2
423.36615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05502	6.2
57.07078	2.5
67.05502	9.8
67.48210	0.8
69.07070	8.8
69.64551	2.0
71.08638	2.0
79.05500	3.1
81.07056	13.0
83.01343	1.3
83.08603	4.2
91.05501	2.7
93.07027	4.3
95.08609	13.3
97.10181	3.2
98.22778	1.3
98.23370	1.6
99.45409	0.8
105.07011	1.1
107.08591	2.6
109.06523	2.0
109.10159	8.6
111.11716	1.0
119.08617	1.5
121.06492	1.6
121.10142	3.7
123.11724	3.1
125.05999	5.3
133.10123	1.0
135.11668	2.0
137.05975	100.0
138.06311	1.9
139.07562	1.8
145.06505	1.0
147.08055	1.7
149.06059	1.3
149.13248	1.1
151.03940	3.1
151.06454	0.8
151.07541	4.4
152.84412	1.0
153.05460	41.9
159.08017	1.7
161.06003	3.0
163.07544	27.8
165.05504	2.9
165.16280	0.8
173.05995	0.9
175.07516	11.1
175.18222	0.9
177.05476	42.8
177.09073	10.2
178.05852	1.5
179.07060	6.2
181.08600	0.9
187.07542	5.6
187.11169	1.1
189.09183	4.5
189.16393	3.2
191.07011	2.8
191.10687	2.9
193.05049	0.9
193.08583	2.7
195.06581	1.5
201.09088	3.2
203.10646	4.7
203.18051	0.8
205.08632	3.5
205.12248	4.6
205.19516	1.1
214.09828	1.2
215.10660	9.9
216.11368	1.5
217.12239	4.8
219.06563	1.2
219.10141	3.7
219.13756	5.3
221.18927	1.0
229.12221	10.8
231.13855	3.4
233.11700	2.5
233.15425	2.3
243.13823	3.6
245.15385	4.1
247.13142	1.3
255.38422	0.9
257.15439	2.9
259.16968	1.2
271.16861	1.2
272.13870	1.4
275.16394	1.7
277.17892	0.9
289.17957	1.3
309.22009	0.9
310.00665	0.9
317.24847	1.3
318.13080	3.5
327.23148	22.9
328.23514	2.0
330.31259	0.9
342.26987	3.5
345.24234	94.5
346.24536	7.1
369.24210	2.7
387.25320	13.2
388.25464	1.6
405.63165	0.8
422.21405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78206	8.0
65.54912	8.1
67.13238	7.7
70.06586	10.9
81.07043	13.4
104.99275	12.9
107.70369	9.3
112.27383	7.9
116.07048	19.2
123.04404	22.0
137.05936	23.6
149.06082	11.5
153.05484	46.2
163.07446	10.6
177.09048	13.4
203.95709	8.3
264.97501	8.1
265.14386	11.6
303.19653	15.7
335.22144	100.0
339.97031	9.7
341.93808	8.9
377.23120	32.9
387.25308	10.8
401.02518	9.1
413.22491	10.2
422.25507	16.4
422.36157	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	422.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.5
57.07076	4.1
57.36688	1.0
61.84409	1.2
67.05201	1.0
67.05498	7.1
67.64845	1.0
67.91678	1.1
69.07064	10.7
71.08627	2.3
71.39690	1.4
72.08161	3.3
73.99519	1.2
79.05499	5.9
81.07062	5.8
83.08634	5.1
89.06039	4.0
91.05489	2.6
93.07037	2.6
95.04948	1.6
95.08605	7.0
97.10182	3.0
107.04939	7.8
109.10145	3.7
110.03646	2.1
119.04874	1.7
121.06532	1.3
121.10162	1.2
123.04436	5.8
125.05994	20.1
133.08614	2.1
137.05978	32.2
140.47989	1.2
142.01540	1.1
147.04465	2.6
148.03088	1.3
149.05988	2.5
153.05467	100.0
161.06018	2.2
162.03104	1.7
163.03975	1.7
163.07581	4.5
165.05511	4.7
173.05930	1.9
175.07535	2.3
177.05464	44.2
177.95264	1.2
178.05872	1.8
179.07019	2.9
187.07529	3.0
191.07098	2.7
192.86769	1.2
201.09167	3.2
205.08640	3.8
205.19437	1.3
219.10210	5.5
221.11641	1.2
226.08621	1.2
233.11757	3.3
263.16452	1.7
317.24634	1.7
321.24054	1.8
345.24249	86.0
346.24533	6.5
363.25259	8.5
403.21664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29080	25.3
53.45846	31.2
54.94923	29.1
57.07048	66.6
57.88998	31.0
59.04505	33.3
60.82555	30.4
64.28748	31.5
85.33345	32.5
105.07034	32.8
116.07134	34.7
116.46805	34.4
123.04416	48.1
140.37959	32.5
157.35995	35.2
162.06285	32.4
163.07538	37.0
171.13847	100.0
172.14008	61.1
179.07095	37.8
180.07320	43.8
187.02313	32.5
238.14059	39.7
405.59109	31.8
422.22583	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
57.07073	1.6
59.04985	0.7
63.98834	0.6
67.05498	5.7
67.26093	0.6
69.07053	3.3
69.94049	1.9
71.08629	22.7
79.05475	1.9
81.07061	8.2
83.01340	1.1
83.04951	0.8
83.08620	5.7
85.06555	0.8
89.06038	1.0
91.05492	2.1
93.07035	3.2
95.08605	10.8
97.10162	3.8
98.22844	1.1
98.23393	0.7
99.08088	21.0
104.99211	0.7
105.07003	2.1
107.08588	2.1
109.10166	7.0
111.08106	1.6
114.26154	0.6
117.07067	0.7
119.08552	1.7
121.06499	13.4
121.10155	1.5
123.08038	0.7
123.11697	4.2
125.05987	1.6
127.11211	1.1
128.00912	0.7
133.10118	1.7
135.08012	0.9
137.05963	25.9
137.09624	1.1
139.07532	7.4
147.11623	1.0
149.05986	1.4
151.07550	1.5
153.05518	0.9
159.08061	0.7
161.06009	0.8
163.07523	15.7
167.07060	0.8
173.09631	0.6
175.07468	2.0
177.09094	8.1
179.17940	1.5
181.08560	1.0
187.07599	0.6
189.09190	1.7
189.16364	2.9
193.04951	1.0
193.08615	1.2
197.08115	0.7
201.09090	1.2
203.10641	1.1
207.17468	1.4
215.10713	2.0
225.18610	1.0
229.12206	1.1
231.13768	1.2
243.19513	2.1
256.05231	0.7
288.95328	0.8
299.41754	0.6
327.23309	0.9
345.24319	4.4
362.16229	0.9
362.23868	0.7
363.25253	100.0
364.25671	5.5
387.25262	62.2
388.25497	4.4
405.26309	12.0
405.31213	0.6
422.29163	1.1
422.35815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38149	1.9
55.05489	2.3
61.67692	1.9
62.26883	2.1
67.05498	8.5
69.07063	3.6
71.45505	2.2
79.05484	7.0
81.07050	10.9
83.08614	5.4
89.06059	2.3
89.10454	2.2
91.05497	4.3
93.07037	4.1
95.04965	3.1
95.08604	11.9
97.06518	6.0
97.10155	5.0
107.04926	9.9
107.08575	4.0
109.06502	3.0
109.10136	7.8
110.03648	3.6
110.85029	2.1
117.07022	2.5
121.10140	6.6
123.04411	6.4
123.11672	2.4
125.05991	18.1
130.45947	2.1
135.08049	2.9
135.11656	3.4
137.05972	100.0
149.05983	17.4
151.07491	3.6
153.05453	80.2
154.05795	2.5
163.07549	39.7
177.09109	29.1
179.06981	4.3
189.09012	2.6
191.10738	5.4
193.08627	6.1
195.06560	14.9
197.80688	2.3
239.14879	2.5
327.23251	5.8
331.22836	10.4
345.19983	4.9
345.24219	92.8
346.24594	5.9
363.25238	35.2
387.25125	10.7
405.26303	8.4
422.28271	10.9
422.35550	3.0
423.27182	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	422.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35779	0.5
55.05263	0.7
55.05515	10.4
57.07068	2.3
67.05497	3.5
68.99786	1.5
69.06706	0.9
69.07070	11.1
69.38076	2.8
71.08616	1.1
76.04637	0.6
79.05475	0.8
81.07050	4.4
83.08622	8.5
85.10156	0.8
87.04473	1.7
93.07017	0.6
95.04958	2.1
95.08619	3.6
97.10172	6.5
107.04973	1.3
107.08573	0.7
107.95877	0.6
109.10178	1.0
111.04453	0.7
111.11703	1.5
121.06498	2.0
123.04434	100.0
124.04730	2.9
125.05978	0.9
133.10181	0.6
135.08052	2.3
137.05983	6.0
138.63452	0.6
149.05981	48.1
150.06380	1.2
151.07506	1.0
153.05437	3.7
163.07552	72.2
164.07899	2.4
165.09090	1.3
173.09621	1.0
177.09109	9.4
187.11176	2.9
191.06999	4.0
191.10730	0.8
195.06519	1.1
205.08595	8.3
221.22632	0.9
241.86343	0.7
249.18782	0.6
303.23193	4.7
304.23660	0.6
321.24292	0.8
327.26672	2.8
343.26099	0.8
345.27887	68.0
346.28305	5.3
387.28979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47057	19.9
55.87267	18.6
56.79727	19.2
57.07068	27.8
66.18494	19.8
69.48094	23.3
69.48428	89.9
69.75790	25.3
89.06060	32.5
89.85829	27.2
96.89138	26.8
118.33534	20.0
131.19746	18.3
133.08580	31.5
137.05965	21.7
159.13710	21.8
235.50989	23.4
342.26953	100.0
358.54883	23.5
365.10306	34.1
422.23584	24.5
423.24997	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	422.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	10.8
67.05515	4.1
69.07066	4.3
69.14362	11.6
71.08629	9.0
77.27278	2.6
81.07055	4.7
82.34054	2.2
83.08643	4.7
84.35213	2.0
85.10200	5.6
95.08620	6.7
97.10199	3.4
98.22689	4.8
102.84555	2.7
109.10172	3.2
116.70052	2.3
123.04421	20.4
125.05991	11.5
149.05972	18.7
161.85800	2.4
163.07547	8.0
177.09171	3.4
191.31334	2.3
259.19675	2.4
345.27939	2.9
363.28925	100.0
364.29541	4.7
405.29761	2.4
417.09134	2.6
423.30807	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.09
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74720	0.6
54.07826	0.5
64.19943	0.6
66.06708	0.6
81.07067	1.3
89.93108	0.7
93.07030	1.0
97.02938	0.6
98.23483	1.9
105.07005	0.8
113.09657	0.8
163.07536	1.1
166.42960	0.7
167.03285	1.3
174.02945	1.3
175.03635	5.0
185.04205	2.0
225.14818	0.6
227.05270	2.9
227.16428	1.1
261.07382	1.4
261.10922	1.2
271.04230	6.1
279.05505	0.9
286.84805	0.7
300.02649	0.9
301.02988	2.5
325.07523	0.7
334.00964	2.8
337.08911	4.7
379.10001	36.6
380.10297	1.6
423.08911	100.0
423.16147	55.9
424.09244	7.3
424.16498	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19426	0.5
55.27556	0.5
90.49728	0.5
92.84000	0.4
93.99220	0.5
185.04266	0.8
201.45387	0.6
227.09210	0.5
256.05893	0.5
260.06561	2.5
261.07346	12.4
423.12546	100.0
423.19720	8.7
424.12778	5.7
424.18942	0.7
424.20172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77736	0.5
66.40652	0.4
67.05473	0.7
69.28313	2.3
98.23428	1.2
113.00622	0.6
114.69455	0.6
123.04350	0.5
127.02106	0.8
141.00006	2.4
152.99998	1.0
153.01825	17.1
155.01591	8.2
171.02963	0.5
179.01678	1.3
179.03279	1.1
180.99524	3.0
181.01198	0.9
183.01105	1.1
185.04227	0.6
195.02878	11.9
196.37480	0.5
204.99632	0.5
208.99013	0.6
209.15228	0.7
245.04472	1.0
247.00551	1.0
255.02986	0.5
260.06552	17.5
260.09296	1.1
261.07324	18.0
262.07556	1.0
272.05899	0.8
273.03854	0.5
274.04834	0.6
284.03107	2.1
285.03961	0.6
289.01633	0.8
302.04111	1.0
317.00992	3.2
335.02164	10.7
343.02740	1.0
361.03741	1.9
371.02350	1.0
389.03491	0.7
401.61478	0.6
406.05975	1.0
407.04453	3.4
423.12564	100.0
424.06952	3.3
424.12921	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	423.1261
Annotation	SC-51089
Peak:m/z	Relative Intensity
51.87210	0.4
58.55784	0.4
60.75718	0.4
65.77222	0.3
70.24396	0.7
167.06940	0.4
175.03772	0.5
185.04175	0.6
187.03665	1.6
201.05238	1.6
245.04228	1.8
260.06558	20.2
261.07324	21.1
262.07727	0.9
269.08270	0.4
423.12595	100.0
424.13028	6.8
449.53998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09705	2.6
92.01593	0.4
98.22672	0.7
104.18130	0.4
142.05273	0.4
159.67316	0.4
260.06549	1.1
261.07358	8.1
423.12604	100.0
424.12946	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	423.1261
Annotation	SC-51089
Peak:m/z	Relative Intensity
61.42831	0.4
63.26652	0.4
65.82825	0.4
71.00036	0.5
98.44595	0.4
104.88678	0.4
115.65492	0.4
226.63387	0.4
245.04297	0.6
260.06558	18.3
261.07306	17.5
261.10162	0.5
267.69485	0.4
294.37271	0.4
296.77737	0.4
423.12576	100.0
424.12946	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	423.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26273	1.6
74.29382	0.3
79.77634	0.3
119.52910	0.4
135.47157	0.3
147.54634	0.4
192.76846	0.4
260.06549	3.2
261.07324	15.5
262.07800	0.6
314.29028	0.4
382.19470	0.4
385.45636	0.5
423.12643	100.0
424.12985	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	423.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88553	1.4
52.42502	1.6
52.89637	2.0
69.28082	5.7
69.28506	2.7
80.16904	1.5
104.31461	1.4
110.29443	1.5
125.88550	1.4
131.04881	1.9
180.86655	1.5
193.12877	1.7
361.50592	1.8
423.16220	100.0
424.16431	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	423.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66274	0.3
55.05492	0.3
56.17048	0.3
60.44132	0.3
69.03423	0.5
71.45620	0.3
81.03384	0.3
81.07045	0.4
89.06006	0.4
105.07009	0.4
109.05835	0.3
113.09669	0.4
144.05753	0.3
147.08134	0.3
151.17085	0.3
151.18413	0.3
155.06929	0.3
163.07515	0.7
164.78107	0.3
165.05486	0.6
175.07568	0.7
187.07608	0.4
203.07071	0.9
207.17346	0.4
221.11621	0.7
231.13831	0.3
259.13260	0.6
261.10986	0.4
283.13367	0.4
297.04333	0.3
301.14432	0.3
328.00092	0.3
351.74216	0.4
384.08585	0.3
423.16217	100.0
424.16583	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	423.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15367	0.3
66.29205	0.3
69.07071	0.6
69.54140	1.5
69.86123	0.4
81.07062	0.7
83.08630	1.8
85.02897	0.4
87.00846	0.4
104.42920	0.3
127.03933	0.4
147.04405	0.4
157.15874	0.8
159.08092	0.5
185.04243	0.9
230.53941	0.4
261.10992	0.9
423.16269	100.0
424.16663	6.8
440.48206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92496	0.6
55.05494	0.7
58.24203	0.6
62.33799	0.7
63.60713	0.6
69.24483	1.6
69.24897	2.0
71.04972	0.9
77.04051	0.6
87.34683	0.6
89.06028	2.1
90.83182	0.9
91.05486	2.2
93.07034	5.9
95.04968	1.1
98.23536	1.2
105.07030	1.4
107.08585	5.5
109.56516	0.8
119.08575	0.8
119.54789	0.8
122.31870	0.7
135.11684	2.4
187.15198	0.6
203.05254	5.5
205.35490	0.7
227.05225	1.0
245.06339	3.9
252.44559	0.7
271.04272	2.7
287.03641	1.6
289.05280	25.4
290.05588	1.8
337.16003	1.0
360.89899	0.7
379.17267	8.7
380.17892	0.9
405.19147	0.9
423.16193	100.0
423.23340	77.3
424.16748	7.4
424.23380	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74089	0.3
60.45250	0.3
69.03396	0.2
69.07062	0.3
69.25034	1.5
75.05411	0.3
81.07024	0.3
90.74854	0.3
98.97535	0.4
109.30149	0.3
116.75960	0.3
128.98599	0.3
201.03816	0.3
201.61176	0.3
203.05283	0.7
233.11331	0.3
237.02859	0.5
264.68100	0.3
287.03738	0.7
289.05096	0.4
423.23514	100.0
424.23871	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	423.2355
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
59.40863	0.3
62.60458	0.3
70.69040	0.4
108.19022	0.3
112.13549	0.3
127.85803	0.3
142.40149	0.4
184.79527	0.3
196.73245	0.3
201.03723	1.2
203.05344	2.0
404.17197	0.3
423.23523	100.0
424.23907	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	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
66.94402	0.3
70.97299	0.3
100.11283	0.5
103.21010	0.3
124.59829	0.3
155.04425	0.4
196.13290	0.3
196.72221	0.3
201.03743	0.7
203.05254	0.8
229.81657	0.3
252.38968	0.3
423.23511	100.0
424.23837	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	423.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88682	0.2
63.58312	0.3
67.79068	0.2
69.01534	0.2
69.39718	1.2
71.27961	0.2
81.07034	0.3
112.39588	0.2
131.08453	0.3
156.39792	0.2
174.00252	0.2
185.04283	0.3
203.05266	1.0
231.44063	0.2
310.86203	0.3
415.79355	0.3
423.23508	100.0
424.23846	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.8
67.05502	16.9
69.07069	4.0
69.40950	11.6
69.41309	4.3
79.05493	6.6
81.07047	18.6
91.05489	4.0
93.07040	7.8
95.08606	16.3
97.10146	2.8
105.07038	6.8
109.06519	3.7
109.10165	8.6
121.06509	12.5
121.10104	3.9
123.08012	3.0
126.29025	2.6
131.08612	3.4
134.36610	2.5
135.08060	4.6
137.05988	16.1
138.06767	12.1
139.07542	7.5
143.08463	2.6
147.08014	4.8
151.07539	11.7
152.04666	5.4
153.05469	8.8
153.09123	26.0
153.50284	2.5
154.06285	12.5
161.05960	2.7
167.03346	12.4
167.07040	37.2
169.08617	15.4
175.07509	5.8
177.09116	9.7
179.07047	3.5
181.08595	71.7
182.05707	12.7
187.07555	3.3
189.09079	5.0
191.10643	7.8
197.08084	100.0
198.08427	3.1
207.10175	10.0
217.12149	3.0
219.10098	3.6
221.11717	12.9
229.12190	2.9
235.13277	4.1
239.09157	4.2
249.14633	2.7
299.19937	7.7
321.24280	4.6
331.22623	9.6
341.20633	8.4
345.24158	22.8
355.08258	3.0
358.45270	2.9
363.25339	11.2
395.34073	2.8
422.36185	3.6
423.20383	5.3
423.25842	7.4
423.36331	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65974	0.4
51.66646	0.4
55.01873	0.8
55.05510	6.1
57.03430	1.9
57.07082	3.4
65.03937	0.6
67.05162	0.6
67.05504	7.8
69.03419	0.8
69.07071	5.7
71.04993	1.4
71.08636	3.6
71.43764	0.5
75.04472	0.6
79.05495	3.8
81.07055	12.9
83.04975	1.0
83.08621	3.6
85.06542	2.2
91.05459	3.6
93.07039	6.7
93.50665	0.5
95.04940	1.2
95.08604	9.4
97.06502	1.5
97.10165	0.9
99.08109	2.2
105.07022	5.5
105.39488	0.5
107.08598	7.5
108.47451	0.5
109.06519	15.5
109.10142	4.2
111.08109	1.4
114.53515	0.5
117.07031	0.6
119.08582	5.2
121.06528	0.7
121.10123	3.9
122.07291	0.7
123.08070	31.0
123.11722	1.7
125.09596	0.5
129.07027	0.5
131.08565	1.8
133.10114	3.3
135.08054	7.3
135.11690	1.8
136.08800	0.5
137.09575	1.4
143.08575	0.6
145.10120	2.0
147.11716	2.5
149.09637	1.0
149.13297	1.5
157.10100	0.8
159.11711	1.6
161.09561	0.5
161.13200	0.5
163.11270	0.5
163.14821	0.6
165.12752	1.0
167.14319	1.3
172.14801	0.4
173.11777	0.7
173.13249	0.9
175.14732	0.9
177.12764	1.9
179.14304	61.6
180.14653	2.3
182.10925	0.6
191.14284	0.9
193.15871	2.8
201.12756	0.5
205.15913	2.4
215.14742	0.5
221.15392	0.7
233.19077	1.2
244.81560	0.5
261.22308	0.5
263.20010	0.6
273.16522	0.6
275.20059	2.5
289.25354	1.0
293.21252	0.8
301.32614	0.6
303.26837	2.1
331.26303	25.8
332.26755	2.1
349.27469	4.8
350.27621	0.7
362.73376	0.6
365.23343	0.7
367.24869	0.9
405.30057	2.2
423.31052	100.0
424.31390	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30434	1.1
55.05526	7.3
57.03437	4.1
57.07067	4.9
65.75510	1.1
67.05515	11.0
67.66640	1.0
69.07072	15.1
70.33118	1.1
71.04996	2.0
71.08629	2.7
77.22570	1.0
77.72950	1.0
79.05498	3.6
81.07056	21.8
81.07509	1.8
83.04977	2.0
83.08607	6.5
86.95868	1.2
89.06033	4.2
89.49102	1.1
91.05486	4.3
93.07043	12.2
95.04961	2.0
95.08607	22.9
97.06556	2.5
97.10194	2.1
99.34016	1.1
105.07047	8.3
107.08596	13.2
109.06523	9.2
109.10159	12.8
111.08109	2.3
117.07055	2.0
119.08584	11.6
121.10178	9.7
123.08073	40.0
123.11694	5.3
124.08441	1.7
131.08556	3.3
133.08629	2.8
133.10126	8.8
135.08066	7.2
135.11678	6.0
137.09615	3.5
137.13257	1.9
145.10110	5.8
147.11665	7.5
149.09642	2.2
149.13298	3.9
157.10210	1.6
159.11641	5.5
161.13248	2.1
163.14883	1.5
165.12772	2.1
171.11633	2.6
173.13293	4.4
175.14880	2.0
177.12727	2.5
177.16531	1.5
179.14310	31.5
185.13254	1.6
187.14853	1.8
189.16472	1.5
191.14398	1.4
192.55930	1.1
193.15918	1.3
199.14815	1.9
201.16446	1.5
203.18095	2.3
213.16273	1.3
215.17973	1.9
229.19528	2.3
233.19250	1.2
239.14940	3.1
241.19617	2.9
241.41936	1.1
259.20493	2.8
263.19986	1.1
275.20129	3.2
292.65942	1.4
293.21140	2.8
303.26868	2.7
331.26300	23.6
331.30209	1.6
332.26743	3.0
336.33194	1.3
349.27533	4.8
359.29752	1.3
405.30090	1.5
405.35114	1.4
423.31097	100.0
423.36258	14.2
424.31345	10.5
424.36627	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Glochidone
Peak:m/z	Relative Intensity
53.03942	1.9
55.05510	8.8
55.12195	1.4
57.07069	4.4
65.03947	1.3
67.05509	10.9
69.03428	2.2
69.07069	19.4
70.06603	2.9
70.15667	2.2
71.04990	1.6
73.23515	1.0
79.05494	11.8
81.07053	32.8
83.04974	2.3
83.08643	5.6
85.02914	1.7
88.07626	3.7
89.07983	1.2
91.05479	9.7
93.07040	27.3
95.04990	1.8
95.08603	51.6
96.08914	1.6
97.02908	2.9
97.06564	2.0
97.10174	4.9
98.23380	1.5
102.09169	2.4
103.09547	1.6
105.07030	32.6
107.08592	37.5
109.06522	5.1
109.10151	28.7
111.04472	1.7
111.08080	3.0
111.11733	1.8
117.06995	5.4
119.08578	34.3
121.10147	33.6
123.08070	3.5
123.11678	13.6
129.06886	1.5
131.08545	13.3
133.10120	23.2
135.11674	16.1
137.13281	7.6
143.08588	4.1
145.10103	23.9
147.11684	17.9
149.02336	17.9
149.03438	2.0
149.13258	29.6
150.02673	7.8
151.11127	1.6
157.10103	5.5
159.11690	25.8
160.12079	1.3
161.13252	16.2
163.14835	8.8
171.11702	5.1
173.13249	16.8
175.14816	20.2
177.12776	1.4
177.16425	10.2
179.14325	6.2
183.11656	2.5
185.13287	4.2
186.05328	1.3
186.14052	2.5
187.14815	18.8
189.16388	17.5
190.34840	1.5
191.14229	1.7
191.17950	17.3
193.04944	13.9
193.15878	9.8
193.80118	1.2
194.05257	10.6
197.13141	2.6
199.14813	5.6
201.16373	17.5
203.17931	18.9
204.18216	1.6
205.15887	15.4
205.19484	3.1
207.17598	1.2
211.14761	1.6
213.16333	7.0
215.17929	38.0
217.15952	2.1
217.19492	8.5
219.17485	3.5
225.16322	2.9
227.17963	7.0
229.16113	1.2
229.19527	13.0
230.19928	1.9
231.17496	1.7
231.21095	4.7
233.18983	55.4
234.19408	4.3
239.17937	2.2
241.19644	3.5
242.41040	1.4
243.21054	5.4
245.22594	3.0
247.20607	3.0
248.74231	1.3
253.19545	3.1
255.21111	6.6
256.26450	4.7
257.22571	6.9
257.26675	7.3
267.21231	2.6
269.22696	5.0
271.20654	2.6
273.22177	2.4
281.22607	3.9
283.24298	1.4
285.22046	2.4
299.23700	2.9
395.36951	2.3
405.35251	14.0
423.29410	29.6
423.36163	100.0
424.30649	2.1
424.36542	9.2
432.37778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55613	0.4
52.50243	0.4
56.96567	2.0
60.31294	0.3
68.60052	0.5
69.61524	1.5
70.43121	0.4
85.90187	0.3
88.20161	0.4
88.54004	0.5
98.23444	0.7
98.97581	33.4
99.97945	0.4
116.98624	16.3
134.99660	5.4
140.00153	0.4
161.51891	0.4
177.00911	0.9
192.98877	0.6
198.97853	1.3
216.98941	5.7
221.01825	0.5
222.97697	0.9
223.98407	0.4
234.99971	9.7
240.98840	12.0
241.01282	0.7
241.99234	0.7
253.00980	1.3
258.99902	67.4
259.99982	2.3
261.00226	0.6
261.03049	1.9
262.03275	1.2
263.02960	1.4
264.98837	3.3
273.98798	1.4
274.97815	1.0
277.00912	50.4
278.00949	2.9
279.77167	0.4
282.01297	0.6
282.99985	88.7
284.00049	1.5
284.99905	1.5
291.99756	0.7
295.01868	0.7
300.02417	1.3
301.01041	100.0
302.01053	1.6
303.00735	2.1
304.01678	0.5
316.98892	1.5
319.01981	4.3
324.02469	1.4
345.77127	0.4
359.00156	2.1
364.98764	2.0
366.98740	0.5
382.01822	0.5
383.00085	5.5
384.00150	0.8
391.97449	0.5
401.01151	20.3
402.01096	2.5
406.99890	5.5
416.00394	0.8
419.02362	2.4
424.02048	0.6
425.01151	48.0
442.19632	1.1
443.02216	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88440	0.6
55.01892	0.7
55.05505	2.5
65.03955	0.7
67.01849	1.7
68.99780	2.1
69.03416	0.7
79.05505	0.6
81.03400	0.7
81.07063	0.9
83.04988	1.4
83.08615	1.7
85.01144	3.0
85.92917	0.6
91.05504	1.3
93.07042	0.8
94.91058	0.6
95.04977	1.0
95.08614	1.1
97.01105	0.8
97.02892	0.9
99.02701	0.8
101.70499	0.6
105.07056	0.6
107.08596	0.9
109.02882	0.6
109.10168	1.0
111.00799	2.4
111.04427	1.2
113.00600	3.9
119.04950	1.8
121.02843	1.0
121.10132	1.5
122.99026	0.9
123.04427	1.0
123.72777	0.7
125.00562	1.2
127.02139	5.0
127.03931	1.2
133.10110	0.6
137.02341	2.0
137.05911	0.8
137.54088	0.6
139.03889	1.7
139.11212	0.9
141.00066	15.5
147.04410	10.8
149.02309	4.1
150.03110	0.6
151.11197	1.9
153.00053	7.4
153.01826	100.0
154.02170	2.4
155.01611	49.3
156.99553	1.0
165.00084	0.9
165.01831	2.5
166.02632	1.2
167.03424	0.6
167.14319	2.5
168.99551	4.1
171.02895	3.9
177.00145	0.6
177.01825	1.3
179.01619	9.6
179.03394	4.3
180.99544	18.6
181.01303	7.9
183.01152	6.9
183.02768	1.4
184.99181	1.0
191.01552	0.8
194.02042	3.5
195.02887	69.9
196.03214	1.7
199.04089	0.7
200.04771	0.9
203.01459	0.8
207.02902	0.9
208.04091	0.6
208.99065	6.4
209.02663	0.9
209.11772	0.7
209.15356	12.4
217.04916	0.9
219.01132	2.3
220.63043	0.6
225.02103	1.0
227.12860	0.9
228.04141	2.2
228.37263	0.6
229.04948	1.8
231.01085	2.0
233.02681	1.2
242.04771	0.9
243.01132	1.1
245.04515	1.5
247.00558	2.1
249.02168	1.3
251.62349	0.6
255.03091	1.7
256.03641	2.6
257.04480	0.8
261.02179	5.1
262.10687	0.8
269.02698	0.8
271.00540	2.6
272.05881	5.3
273.03845	1.7
274.04694	4.0
275.00098	2.0
279.03189	0.9
284.03131	10.2
285.03906	2.7
288.25327	0.6
289.01614	8.0
297.02164	1.9
299.00034	0.7
302.04181	8.5
305.01285	0.7
306.01904	0.7
307.02600	0.9
315.03088	1.3
317.01141	20.2
325.01682	1.5
327.03299	0.7
335.02185	64.4
336.02637	3.4
342.04150	0.9
343.02686	6.9
353.03168	0.8
361.03699	10.8
370.03680	1.5
371.02148	5.4
376.85864	0.6
378.06305	2.2
388.04773	3.5
389.03207	5.3
399.77084	0.6
406.06039	4.7
407.04282	19.0
408.04547	0.9
424.07019	18.0
425.08090	0.9
425.14111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97057	0.3
55.01861	0.8
55.05495	0.6
56.04996	0.3
57.03437	2.5
58.99564	1.1
64.00298	0.4
65.14642	0.3
67.05493	0.8
69.03410	1.3
69.07071	2.3
69.23171	0.3
69.78919	0.7
69.79292	1.0
71.01359	4.3
73.02912	7.3
75.04464	1.0
78.33684	0.3
81.03391	0.5
81.07056	2.0
83.01324	0.8
83.08593	0.5
85.02903	14.5
86.03233	0.3
86.06053	1.3
91.05461	0.5
93.07048	0.8
95.01330	3.2
95.04958	0.5
95.08591	0.7
97.02866	1.4
97.06522	0.5
98.06052	0.4
98.09685	0.8
99.00809	1.2
99.04463	0.5
101.02368	2.1
103.03922	1.7
105.07005	0.7
107.08568	1.2
108.08106	1.2
110.09678	2.0
113.02366	6.1
115.07553	1.5
116.01671	1.0
116.07893	0.8
118.06538	0.6
119.08562	0.4
119.86697	0.3
121.06456	0.3
121.10119	0.8
123.04420	1.1
123.08058	0.4
126.03682	0.5
127.03861	0.7
128.03995	0.5
128.04936	8.9
130.04965	0.5
130.06531	0.7
131.03387	2.9
135.11687	0.5
139.03893	0.7
141.00807	0.6
141.01819	7.7
144.01170	0.4
144.04793	0.3
146.05998	97.3
147.06377	2.9
159.02863	1.6
161.13286	0.7
163.14841	0.4
169.59697	0.4
174.05496	91.3
175.05927	2.3
176.07005	1.5
191.14223	0.8
209.11658	0.7
209.15358	1.5
214.16270	0.4
225.14899	0.4
227.12762	1.2
227.16382	2.3
230.08115	16.4
231.08571	0.7
243.15750	0.6
244.16145	0.5
247.07407	0.8
248.09163	100.0
249.09525	4.3
292.13055	0.8
406.11258	5.1
407.11609	0.6
424.12366	26.0
424.22385	8.1
425.12332	1.7
425.17944	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	424.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
54.25107	0.2
55.01873	0.2
55.05506	0.6
57.03447	0.3
57.07068	0.2
67.05502	0.5
67.29163	0.2
69.03423	0.5
69.07072	2.1
69.35435	0.5
69.35828	0.3
71.05010	0.4
71.08626	0.4
73.02914	0.3
79.05492	0.5
81.03423	0.7
81.07069	2.7
83.04983	0.4
83.08617	0.6
85.02908	4.2
85.06539	0.8
85.13190	0.2
87.00841	0.6
87.04462	0.2
91.05479	0.3
93.07044	0.5
95.08591	0.7
97.02901	0.6
97.06563	0.3
99.04461	0.8
101.02374	0.3
105.01878	0.5
105.07058	0.9
107.08598	0.8
108.04503	0.3
109.02856	0.5
109.06520	0.5
111.08089	0.2
115.05465	1.3
118.55428	0.2
119.08567	0.5
121.10133	1.0
123.08073	0.6
123.11714	3.0
126.05537	0.3
127.03918	0.9
127.07532	1.0
133.10187	0.2
137.13260	0.2
141.06995	100.0
142.07335	4.3
145.04944	0.3
147.11684	3.4
155.08537	0.3
155.14304	0.9
158.09648	0.4
159.02928	0.3
165.12772	2.3
168.59070	0.2
171.82349	0.2
173.05392	0.3
183.08066	0.5
183.13808	9.1
184.14189	0.3
189.03822	0.2
200.07440	0.2
201.14862	9.4
202.15230	0.2
281.16049	0.2
292.13519	0.4
326.42291	0.2
336.16190	0.3
423.83978	0.3
424.26099	0.4
425.21594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01856	0.2
69.03426	0.6
69.79322	0.4
71.08630	0.2
72.77706	0.1
73.02905	0.3
74.31036	0.2
81.03412	0.9
85.02899	1.9
87.00833	0.7
91.05463	0.2
93.49671	0.1
97.02885	0.9
99.04465	0.4
99.08109	0.5
105.01875	0.6
108.04460	0.5
109.02898	0.8
115.05440	2.0
126.05520	0.4
127.03909	1.2
141.06989	100.0
142.07335	4.0
143.03398	0.2
145.04953	0.6
147.02953	0.3
155.08557	0.8
155.87273	0.1
158.09648	0.3
159.02924	0.4
159.13829	0.4
179.08528	0.2
183.08090	0.9
189.03935	0.3
191.35541	0.2
207.08182	0.2
221.09619	0.2
225.09198	0.2
231.04916	0.3
231.08014	0.3
248.07661	0.3
249.06529	0.2
249.09106	0.3
313.99057	0.2
424.15839	0.2
424.26172	0.2
425.21622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01879	0.8
56.96556	1.2
57.03453	0.7
61.02913	1.1
62.26176	0.7
69.03419	2.1
69.68454	2.2
79.88329	0.6
81.03415	1.7
85.02474	0.9
85.02910	10.7
90.51599	0.6
91.05486	3.0
93.07047	1.9
95.04966	2.0
97.02940	1.5
98.22848	1.6
98.23412	1.0
98.97569	7.3
101.00891	2.6
101.10915	0.7
103.05453	4.4
105.04517	0.8
106.04162	1.1
107.04965	4.1
109.02875	1.1
109.06531	0.9
112.05743	0.7
113.00850	0.9
116.98655	3.7
117.03331	1.4
119.01920	3.4
119.04972	1.1
121.06504	9.4
123.04418	2.6
124.05186	1.1
127.03918	1.6
131.01971	0.9
131.04924	5.8
133.02829	1.1
134.03587	1.3
134.99652	1.3
135.04410	1.1
137.05986	8.6
140.04683	1.9
143.01900	5.6
145.04909	1.2
147.04398	1.4
148.05173	1.1
149.05975	14.8
151.03854	1.0
152.04611	0.9
155.01933	3.7
155.07013	2.0
159.04376	4.5
161.02963	9.5
161.06001	1.0
165.05562	1.2
167.01921	2.1
167.07037	100.0
168.07404	3.8
169.03497	1.3
173.02936	3.6
176.04691	1.1
177.05466	33.3
178.05936	1.4
179.06972	1.0
181.08598	1.5
185.02969	6.6
187.04521	0.7
191.07039	2.1
193.08653	1.0
194.05775	1.2
195.06651	0.9
197.03009	3.0
197.08131	1.7
203.03902	2.3
209.08076	27.7
209.15327	0.9
210.08420	0.9
211.09660	2.9
215.03993	1.5
227.04324	1.4
227.09135	73.2
228.09479	2.8
245.05067	18.3
257.04837	0.7
258.99744	4.1
259.99857	1.2
263.06158	4.1
275.06122	1.3
277.00836	5.2
305.07169	1.1
322.98547	1.5
335.08002	1.1
338.58597	0.8
352.12607	2.9
353.12485	1.1
364.12607	7.8
365.08682	1.3
365.12451	2.4
400.95242	1.2
401.00961	2.3
425.08292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.04137	0.7
57.03429	1.4
61.02916	1.6
69.03419	2.7
69.92496	2.3
73.02910	0.8
81.03411	1.5
85.02905	10.8
91.05456	3.5
93.07030	3.6
95.04962	1.4
97.02872	2.6
99.04422	0.8
103.05469	5.3
105.07020	0.7
107.04955	2.7
109.02872	1.1
109.06521	0.9
116.10745	0.7
117.03345	0.8
117.94965	0.7
119.04931	0.8
121.06499	9.9
123.04408	2.6
124.05199	1.3
127.03899	1.7
131.04922	5.7
133.02820	2.9
134.03624	0.8
134.87416	0.7
135.04445	1.2
137.05968	7.6
140.04666	2.7
145.02759	0.8
145.04939	1.6
147.04404	1.7
149.05974	16.2
155.07050	2.7
159.04436	5.1
161.02971	1.6
163.07498	1.2
163.08719	0.7
165.05478	2.7
167.07033	100.0
168.07355	2.1
173.02916	0.9
173.52892	0.9
176.04733	1.0
177.05469	39.8
177.71809	0.7
178.05960	1.5
181.08633	1.4
184.49414	0.8
191.07034	2.1
193.08575	1.4
194.05687	1.3
197.03021	0.8
197.08133	3.6
203.04012	0.9
209.08081	34.2
210.08409	1.9
211.09679	1.3
227.09132	69.0
228.09503	3.8
245.05046	2.3
283.12180	1.1
283.95932	0.8
298.66138	0.8
322.98346	1.6
352.12756	1.5
364.12656	5.3
365.12268	1.1
386.67029	0.8
425.08340	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	424.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62511	1.3
51.34320	1.2
55.01875	3.0
55.05505	1.4
57.03427	1.2
61.02872	1.4
65.75378	1.3
67.05507	9.3
69.03422	3.1
69.07057	1.4
73.02876	1.3
79.05488	9.6
79.90623	1.2
81.07042	4.5
83.04971	4.6
85.02911	8.1
85.06535	3.1
87.04453	1.7
91.05479	9.0
93.07066	6.7
95.04958	4.7
95.08605	6.1
97.02880	2.7
97.05967	1.3
97.06530	6.2
99.04495	2.1
100.11272	1.4
101.02354	5.8
105.07045	3.7
107.04945	16.2
107.08632	3.3
109.06550	1.7
109.10178	3.1
111.04451	2.8
114.09172	3.6
115.03928	3.1
117.07016	4.2
119.08588	4.4
121.02879	1.9
121.10145	4.3
123.04411	3.6
125.05979	8.6
129.07002	2.0
131.04933	2.5
131.08563	14.0
133.04967	2.2
135.11717	3.5
140.10648	1.7
142.08678	2.2
145.06500	4.0
145.10120	25.2
146.43803	1.2
147.08044	4.2
149.05972	1.3
149.09621	13.7
155.07402	1.3
155.08545	6.0
163.07518	1.4
163.11180	18.1
167.07057	5.2
168.07417	1.9
173.09618	20.4
191.10669	58.1
192.11037	3.5
209.11728	56.4
210.12128	3.1
210.14783	1.7
227.12775	100.0
228.13039	6.1
228.36455	1.4
229.04935	3.5
245.04431	3.1
245.13843	12.7
247.05801	1.8
252.70947	1.3
257.04468	19.3
263.08868	1.7
263.12592	1.3
285.03833	1.6
424.16693	2.5
424.22610	1.9
425.08624	8.5
425.13382	9.8
425.18375	61.8
425.31204	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.05520	2.1
56.00681	1.1
57.03431	2.1
65.03931	1.2
65.09762	1.1
67.05511	11.3
69.03433	2.3
69.07080	2.7
69.11309	9.7
71.04984	2.0
73.02915	2.7
79.05481	8.1
81.05566	1.2
81.07050	4.2
83.04974	2.2
83.08601	1.3
85.02921	7.9
85.06543	3.6
87.04498	1.9
88.05151	1.3
91.05486	9.2
93.07055	5.0
95.04943	4.4
95.08623	8.3
97.02898	3.8
97.06525	5.3
98.23460	2.3
99.04467	2.1
100.11237	2.4
101.02390	6.4
105.07018	4.8
107.04951	18.2
107.08590	4.3
109.10166	2.4
111.04441	2.6
113.06014	2.2
115.03947	3.2
117.07026	4.7
119.08600	5.4
121.10102	3.4
123.04435	4.1
125.06019	9.4
127.03953	1.6
129.06981	2.8
131.04919	3.1
131.08568	12.1
133.04974	2.0
135.08109	1.6
135.11700	5.3
136.43213	1.2
142.08664	2.9
145.06502	4.6
145.10118	23.3
146.90431	1.4
147.08090	3.3
149.09619	12.4
155.08498	7.8
163.07529	2.4
163.11154	19.5
163.12404	1.7
167.07033	9.2
168.07431	4.6
173.09628	19.7
174.09988	1.5
191.10672	57.9
192.11052	3.5
203.03418	1.5
209.11726	48.2
210.12114	2.6
216.63211	1.3
217.18184	1.4
227.12775	100.0
228.13181	3.2
229.04897	2.9
241.38383	1.4
245.04597	4.2
245.13873	8.5
247.05760	1.3
257.04434	23.8
258.05157	2.2
262.07770	1.8
287.05322	1.6
390.94925	1.3
424.16666	3.9
424.23218	3.2
425.08597	10.2
425.18286	53.1
425.31204	4.6
448.67566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87870	1.2
55.05505	17.7
55.05747	1.6
57.03450	1.7
58.06659	1.2
67.05501	4.4
68.99790	1.9
69.03436	4.5
69.07063	4.1
71.03941	2.2
71.04993	2.0
78.81104	1.2
79.05489	2.3
81.07059	5.6
83.04978	7.5
83.08614	12.2
85.02897	3.8
85.06564	2.5
91.05477	2.4
93.07041	5.3
95.04956	9.4
95.08625	4.9
96.94287	1.3
97.02869	1.5
97.06554	3.5
97.10177	2.4
98.79919	1.3
99.04447	3.1
105.07037	3.1
107.08596	10.6
109.06544	3.4
109.10144	7.9
111.08068	3.4
113.00628	1.7
119.04944	2.1
119.08606	3.0
121.10148	17.0
123.08097	2.3
123.11740	4.5
125.09633	5.1
127.03923	2.4
133.10124	4.6
137.05969	5.3
139.03822	1.5
139.11198	5.9
141.00049	3.1
141.09117	3.6
141.92355	1.3
147.04395	18.8
147.11684	4.3
147.77464	1.3
148.04723	1.4
149.13254	2.4
150.36327	1.2
151.07617	2.2
151.11180	20.4
153.00111	1.5
153.00572	2.1
153.01834	25.4
153.09122	4.1
155.01602	10.8
163.14838	4.3
166.02817	1.5
167.07143	3.2
167.14328	17.7
171.41580	1.2
173.13242	3.1
179.01735	2.4
180.99580	3.8
181.01265	1.4
183.01181	1.2
191.14337	6.2
195.02856	14.6
209.15369	100.0
210.15744	4.7
227.12991	1.8
227.16498	9.8
262.11002	1.5
274.04626	1.9
276.55026	1.4
284.03442	3.1
288.10184	1.6
289.01669	2.5
302.04150	1.9
303.12265	4.3
317.01151	5.2
335.02216	14.4
336.02762	2.0
338.11481	1.3
407.04208	3.3
424.06787	3.2
425.12912	2.9
425.18488	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	1.9
55.01867	2.4
55.05514	13.2
57.03446	3.0
59.04995	1.8
66.35974	1.6
67.05511	4.7
69.03436	4.1
69.07055	2.8
69.80888	6.0
71.04989	3.5
79.05497	4.8
81.03429	3.1
81.07050	9.0
83.04977	14.2
83.08618	11.3
85.02908	10.6
85.06525	2.5
93.03416	2.5
93.07034	8.6
95.03382	2.0
95.04984	13.8
95.08600	5.5
97.06541	6.0
99.04432	3.4
105.07052	6.5
107.08599	16.8
109.06511	12.2
109.10171	15.6
111.04460	2.6
111.08092	4.3
119.08576	5.0
121.10152	22.3
123.11731	3.9
125.09647	2.1
127.03926	3.7
131.08569	5.7
133.10114	26.7
134.40834	1.8
135.11649	4.4
138.07527	2.0
139.03928	7.3
139.11179	3.5
147.04407	8.3
147.11653	4.0
149.13251	6.6
151.11156	15.1
153.09105	7.6
154.61945	1.6
158.10863	3.0
163.14801	5.8
167.14301	19.6
167.92867	1.8
169.04999	2.3
173.13263	18.0
191.14326	22.3
192.14580	2.5
208.95110	2.0
209.15378	100.0
210.15723	4.5
227.16460	14.2
245.10249	15.7
257.04608	2.2
264.97903	2.3
266.95822	3.6
278.11502	3.4
280.97354	5.8
282.99014	6.7
283.96027	7.1
283.99136	2.4
291.08105	1.8
297.97711	1.9
298.98428	2.9
304.06882	1.7
307.96051	4.9
322.98419	24.0
334.98453	7.0
340.99530	3.5
364.99866	2.1
371.59384	2.0
401.01639	7.1
425.08524	8.5
425.17807	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.9
56.88294	1.6
63.89949	1.9
67.05486	2.0
69.03438	2.7
69.07065	2.5
69.87041	5.8
71.04971	2.1
79.05464	2.2
81.07053	4.9
83.04977	8.1
83.08611	14.5
85.02924	3.0
85.06535	2.5
93.07035	6.4
95.04971	8.8
95.08597	7.2
97.06523	4.8
97.10178	4.0
99.04446	3.7
99.08060	1.9
107.08559	8.7
109.10162	6.2
111.08052	2.3
119.08566	3.3
121.10159	20.7
123.11708	4.4
125.09608	4.2
133.10130	4.2
139.03908	3.4
139.11176	30.1
147.04391	7.4
149.13300	3.2
151.11180	21.3
152.31706	1.8
153.09145	2.7
163.14885	4.2
167.14319	20.9
173.13315	3.8
191.14308	6.4
209.15361	100.0
210.15785	3.9
227.16408	2.2
261.07153	2.6
265.95102	2.6
266.95850	3.0
280.97748	2.1
282.98914	3.1
283.96100	5.3
287.05469	3.3
298.98587	2.0
299.05389	2.7
310.31860	1.8
322.98447	18.1
324.03888	1.9
334.98419	2.1
401.01672	5.5
424.12622	11.6
431.12891	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.6
57.07077	1.1
59.05003	1.5
67.05505	3.0
69.03435	3.0
69.07065	4.2
70.57302	1.0
71.05000	2.7
79.05498	3.5
81.07064	6.0
83.04973	6.4
83.08618	12.6
85.02907	3.3
85.06534	3.4
88.47570	1.0
89.38752	0.9
91.05491	3.6
93.07052	12.1
95.04967	10.7
95.08617	4.3
97.06519	4.3
97.10188	2.1
99.04456	2.6
99.08084	1.5
105.07047	4.7
107.07913	0.7
107.08595	19.0
109.06502	5.2
109.10154	6.2
111.08102	2.5
115.07556	7.8
118.41694	1.0
119.08575	3.7
121.10145	45.2
122.10445	1.2
123.11700	2.1
124.79720	1.0
125.09611	3.6
128.72768	0.9
131.08543	1.3
133.10147	7.8
135.08064	2.2
135.11688	2.8
147.11655	1.5
149.13266	3.2
151.11180	12.9
153.09113	6.0
163.14824	12.5
167.14316	15.3
173.13260	7.7
175.14845	2.3
184.42744	1.1
191.14325	15.0
209.15367	100.0
210.15633	4.9
227.16437	10.4
256.54959	1.1
290.07275	1.0
442.73257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
55.05506	5.4
57.07059	1.1
60.71337	0.9
69.03435	1.6
69.07064	10.1
69.35938	3.2
69.36345	1.9
71.08624	16.9
71.08985	1.2
74.84521	0.9
75.51381	1.0
79.05477	1.5
79.85349	0.9
81.07061	5.4
83.08608	10.4
85.02908	7.1
85.06538	8.9
88.29693	1.0
89.11981	0.9
91.05476	4.0
93.07046	2.3
95.08607	3.2
96.65076	1.0
97.02879	1.9
98.22598	1.7
99.08082	14.5
105.07063	1.2
107.08569	1.5
111.08074	100.0
112.08417	1.9
121.10141	1.6
123.11697	3.9
124.49724	1.0
127.03931	2.0
129.09088	1.4
137.02336	5.7
141.12732	1.7
145.04976	1.1
147.11708	3.9
155.14296	89.0
156.14691	2.8
165.12747	3.3
183.13794	83.2
184.14156	2.9
201.14850	32.4
209.15343	1.8
227.16396	20.2
229.08992	2.2
245.17496	1.4
251.76595	1.1
294.19717	1.4
299.07727	1.2
336.21686	2.5
380.20966	2.3
381.21060	2.1
392.18179	2.0
424.19608	1.7
424.27643	1.9
425.19714	6.4
425.26669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.2
55.72454	1.1
57.07077	1.7
58.85926	1.1
58.96183	1.0
67.05507	1.1
69.03422	2.8
69.07061	3.1
70.67146	2.0
71.04995	1.9
76.05682	1.1
76.64138	1.1
79.05487	2.8
81.07057	4.4
81.40505	1.2
83.04974	8.8
83.08620	15.0
85.02899	5.1
85.06535	3.0
91.05470	1.8
93.07047	9.0
95.04977	8.1
95.08604	4.7
97.02843	1.1
97.06538	5.3
97.10163	2.8
99.04443	2.0
105.07014	4.6
107.08589	12.7
109.06508	6.4
109.10179	8.7
111.04442	2.5
111.08066	1.8
115.07570	4.3
119.08603	5.2
121.10143	26.3
123.08078	1.7
123.11755	2.6
125.09624	3.9
131.08585	1.9
133.09238	1.6
133.10107	8.2
135.08035	1.8
135.11684	2.0
139.03915	7.4
145.10158	1.3
147.04370	2.0
147.11681	3.3
149.13243	4.1
151.11185	16.8
153.09084	4.6
156.04170	2.1
163.14824	9.6
165.12775	1.4
167.14342	20.0
171.06520	2.9
173.13263	6.0
175.14813	4.6
191.14323	11.6
193.15846	2.0
209.15373	100.0
210.15697	4.4
227.16458	9.1
245.10233	12.4
263.05252	1.8
266.95847	1.9
280.97430	1.5
282.98886	2.4
283.96115	2.1
322.98349	5.0
334.98547	2.0
401.01666	1.8
424.13034	2.4
425.10193	10.0
425.15176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55121	1.6
51.63160	1.6
55.01859	2.1
55.05509	4.2
57.03440	2.9
57.07077	2.4
67.05497	4.6
69.03429	2.6
69.07066	13.8
71.05000	2.6
71.08640	3.2
71.43861	1.9
77.40182	1.7
78.49963	1.6
81.03451	2.5
81.07059	20.3
83.04998	4.0
83.08607	5.1
85.02914	17.8
85.06535	2.8
87.00829	2.4
91.05482	6.6
93.07055	1.8
95.08611	6.6
97.02897	6.9
97.06531	1.9
99.04452	5.6
99.08126	1.7
105.07033	6.7
107.08594	7.7
109.02914	1.9
109.06525	4.5
113.05998	2.0
115.05513	1.9
116.31233	1.5
119.08584	5.7
121.10146	7.8
123.08092	2.8
123.11716	23.0
127.03938	4.6
127.07565	5.4
137.13229	1.9
138.89322	1.6
139.91736	1.6
141.06999	100.0
141.12712	15.6
142.07304	5.6
144.65746	1.7
145.05022	2.2
147.11688	27.6
150.58522	1.8
155.14322	3.5
159.13803	2.1
165.12767	16.5
183.13823	61.2
185.00447	1.4
201.14868	59.6
210.77356	1.5
424.26181	4.6
425.21552	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	424.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33249	3.3
55.05511	7.2
55.72300	3.2
56.87751	3.5
57.07070	18.9
62.98248	4.0
66.16542	3.3
67.05506	8.1
69.07079	9.7
71.08630	13.9
81.07062	8.5
83.08627	6.1
85.10175	7.9
89.06034	48.8
91.05484	3.7
94.11652	3.4
95.08607	7.4
97.10194	4.4
102.42213	3.2
104.41096	3.3
104.47844	3.1
109.10175	5.7
111.00739	3.4
111.04435	11.8
113.11532	3.2
123.04478	18.3
133.06483	6.5
133.08618	32.4
139.03905	72.2
147.04425	7.8
147.08073	4.7
149.05942	6.7
151.03928	4.7
153.05490	5.9
155.03383	23.4
161.05994	13.6
163.03879	4.8
163.07512	5.5
165.05429	18.2
167.03409	4.3
173.89340	3.2
174.31241	3.2
175.07603	6.5
177.11264	6.3
179.07021	53.7
181.04959	9.0
181.08678	3.9
182.05742	14.1
193.69087	3.0
196.07307	8.8
197.04489	7.9
211.09627	9.2
239.14911	39.7
259.20526	5.1
260.55469	3.6
277.21622	12.2
277.72296	3.1
287.20038	9.3
305.21109	100.0
306.21475	5.1
329.21085	3.4
347.22055	15.0
365.23206	7.7
407.28232	6.5
407.33594	7.3
424.27917	5.8
425.21570	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	424.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05266	1.0
55.05502	6.4
57.06784	1.5
57.07076	27.7
61.35764	1.0
66.22213	1.1
67.05502	8.1
69.03407	1.5
69.07070	12.1
71.08633	22.0
73.06551	1.9
74.92493	1.1
79.05492	5.3
81.07053	8.8
83.08623	4.6
85.10186	10.4
87.04479	1.5
89.06033	74.8
91.05474	3.9
91.07634	1.1
91.53968	1.0
93.07046	3.1
95.04929	1.8
95.08614	7.3
97.10161	4.3
98.22637	3.0
105.07035	3.4
106.26223	1.0
107.04969	4.4
107.07055	1.5
107.08601	1.6
109.10179	4.9
111.04443	14.4
111.11727	1.6
115.05443	1.8
117.09136	1.2
119.04936	3.9
119.08582	1.7
121.10133	2.2
123.04436	8.3
123.11710	2.0
125.06004	11.1
129.07045	1.9
130.08646	1.4
131.08568	1.5
133.06535	7.6
133.08606	36.6
133.10132	1.8
134.95857	1.1
135.08092	1.6
135.11723	1.8
137.05984	1.4
139.03903	48.0
140.04199	1.6
140.12096	1.1
145.06590	1.4
147.04385	8.1
147.08054	5.8
149.06007	4.9
151.03943	1.5
151.09622	3.2
153.05475	40.3
154.05806	1.4
155.03423	5.5
161.05978	22.3
163.07552	10.4
165.05472	12.2
167.07037	2.3
169.19569	2.0
170.23660	1.2
173.06012	1.4
175.07556	9.1
177.09029	1.3
177.11211	10.7
179.07030	45.6
180.07425	1.8
189.09122	5.4
191.07089	1.5
193.08611	23.7
195.06564	2.8
195.12198	2.2
203.10797	2.3
207.10271	2.0
213.22212	2.6
221.08122	5.0
235.09674	14.9
239.14894	30.0
257.24780	4.2
259.20584	2.8
277.21606	3.8
287.20087	15.0
301.27454	2.1
305.21106	100.0
306.21463	6.6
345.24249	3.8
347.21967	1.6
347.25763	6.2
371.25699	1.9
389.26855	6.2
407.33664	23.2
424.37540	2.4
425.21509	10.0
425.29800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.0
56.61250	1.0
59.04983	1.6
61.75380	0.9
67.05500	8.0
69.03421	1.2
69.07072	1.4
69.43440	5.2
71.04991	2.6
79.05495	4.9
81.07062	13.6
83.04974	1.0
83.08617	1.6
85.06537	5.1
91.05489	4.3
93.07036	7.1
95.04978	3.2
95.08617	9.3
97.06531	1.3
105.04487	1.0
105.06403	1.3
105.07033	4.9
107.04942	1.7
107.08598	3.4
109.06505	3.3
109.10155	4.8
111.08076	3.2
119.08588	3.6
121.06501	5.0
121.10117	1.1
124.05213	6.2
125.06002	2.6
129.07040	3.2
131.08617	1.2
133.06523	2.1
133.10152	3.2
134.53435	1.0
135.04395	1.2
135.08022	1.9
135.11673	3.9
137.05956	12.4
139.07541	34.6
140.04636	1.5
145.06467	1.7
147.08020	1.9
147.11679	2.5
149.13254	2.5
151.07564	9.5
152.04686	3.2
153.05457	14.6
155.07025	4.5
159.11777	1.2
160.05180	1.3
161.05983	5.6
161.09642	3.1
163.07529	2.9
165.09026	1.2
167.07040	100.0
168.04172	2.3
168.07425	3.3
173.09674	1.1
173.26512	1.0
175.07550	8.1
175.14854	8.2
175.33374	1.0
177.09123	5.1
179.06990	2.1
181.08617	1.5
183.06517	22.7
189.09084	3.7
191.07034	1.3
191.10686	1.1
193.08618	16.4
201.09140	1.6
203.10736	1.7
207.10139	23.8
215.10698	1.2
215.30917	1.1
219.10217	1.6
221.11816	2.4
225.07590	3.9
233.11711	3.0
247.13269	2.3
251.12769	1.9
255.17032	1.2
265.14511	1.1
287.20016	3.2
297.18454	3.0
315.19479	8.0
319.22672	6.2
329.20959	6.0
333.20462	2.7
347.17899	2.5
347.22165	44.4
348.22537	1.7
389.23184	9.3
407.24667	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86271	0.8
55.05495	1.1
57.06818	1.1
57.07076	13.9
69.07065	2.3
69.16489	5.1
71.08629	9.6
74.50841	0.8
75.50101	0.8
81.07048	2.6
83.08618	1.4
85.10182	6.0
89.06030	3.1
97.10162	1.6
98.23077	3.7
104.07095	0.9
109.06541	2.4
111.11768	0.9
123.04398	3.9
125.05993	1.4
133.08603	2.5
135.20096	0.8
137.05969	85.0
138.06326	1.4
141.05464	8.9
153.05501	0.9
162.68286	0.7
197.97650	0.8
239.14822	3.9
249.41922	0.8
287.23605	2.4
305.24722	42.8
306.25024	2.5
323.25772	98.6
324.26077	7.6
365.26840	100.0
366.27176	6.2
407.27789	5.0
424.30533	6.2
425.21405	1.8
425.32361	21.5
449.03714	0.8
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
55.05513	8.8
62.71827	5.3
67.05508	16.1
69.57581	12.3
69.57967	16.6
79.05511	11.4
81.07050	24.0
83.08601	5.4
84.48952	5.3
85.06568	5.4
91.05526	10.7
93.07045	10.0
95.08614	17.2
97.04134	6.0
97.06554	7.9
99.08102	5.3
107.04952	5.7
107.08592	7.0
109.06523	10.1
109.10155	9.9
111.08099	6.1
119.20966	6.3
125.05994	6.7
137.05983	38.1
139.07533	33.0
140.04593	5.5
147.08037	6.3
151.07492	9.0
153.05467	37.1
159.08057	6.3
161.06090	13.0
161.09633	8.8
167.07027	100.0
167.08342	8.7
168.07339	6.1
173.51863	5.6
175.07590	12.3
175.14842	8.9
179.07028	14.9
181.05046	7.3
183.06483	50.9
193.08621	46.5
207.10173	42.1
233.11777	6.5
235.09682	12.7
301.21701	6.8
319.22662	24.2
320.23129	7.0
329.20871	7.4
333.20694	8.9
347.22113	67.5
361.23764	16.9
366.17847	5.7
371.21768	7.3
389.22989	11.5
424.21732	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	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	15.5
60.05652	13.9
67.05474	12.0
69.07053	8.3
75.74781	5.4
81.07043	12.6
84.96534	5.5
85.02912	11.0
87.04447	13.2
89.06025	9.6
91.05466	10.0
93.07034	13.0
95.08566	10.3
97.06512	9.6
104.07111	31.7
109.10099	8.2
113.16353	6.6
124.05192	7.1
137.05965	23.5
139.07518	39.6
153.05418	14.8
163.03947	15.4
163.07634	7.3
167.07054	100.0
175.07613	5.6
177.09093	10.5
183.06544	6.5
183.46802	5.9
193.08498	10.8
201.09023	8.1
224.76428	6.3
233.11592	12.2
272.13144	6.2
305.15393	6.8
315.19635	7.1
319.22717	8.1
321.20679	9.6
347.22104	41.6
361.23627	17.7
366.70105	7.6
385.12894	7.3
424.33832	7.1
425.21249	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	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09922	11.0
69.48141	40.1
84.52803	12.4
88.66592	12.5
123.04422	36.5
123.52145	11.2
144.86891	12.9
169.05006	13.1
189.09082	13.4
211.05933	14.2
313.76096	13.9
337.23746	100.0
379.24689	54.7
407.24457	64.5
424.23663	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80191	1.3
53.03957	1.5
55.01870	1.6
55.05511	6.7
57.07073	10.1
57.54728	1.2
65.03928	1.3
67.05510	9.8
69.07071	8.9
69.19232	2.5
69.19632	6.7
69.85306	1.1
71.08633	5.7
72.89826	1.1
73.72878	1.2
79.05502	6.5
81.07063	11.0
83.08636	6.3
85.10174	2.2
89.06025	23.2
91.05470	3.0
93.07097	2.7
95.04985	2.5
95.06944	1.2
95.08607	10.3
97.06584	1.3
97.10188	2.2
105.07025	3.9
105.49693	1.4
107.04967	8.3
107.08584	2.5
109.10149	6.2
110.03675	3.9
111.04473	7.6
111.11691	1.8
115.05458	2.7
119.04929	5.4
119.08558	2.2
121.06520	1.8
123.04442	7.1
123.11706	2.9
125.05981	23.4
129.07039	2.9
130.08702	1.2
133.06491	8.6
133.08620	14.1
133.10138	1.9
137.05991	2.5
139.03903	29.4
147.04416	13.9
147.08064	4.3
149.05956	5.6
149.13303	1.2
151.03873	1.2
151.07599	1.6
151.09569	1.9
153.05469	100.0
154.05852	2.2
155.03418	3.3
159.04364	3.3
161.05975	29.2
163.07524	9.8
165.05463	11.0
167.07059	2.6
168.54916	1.2
173.05986	2.4
173.09662	2.1
175.07532	6.7
177.05562	1.5
177.11250	2.9
179.07028	56.6
179.20914	1.3
180.07382	1.5
185.09572	1.3
187.14832	1.5
189.09081	5.2
191.07161	1.7
193.08603	53.3
194.08961	1.6
195.06496	7.5
195.41299	1.3
205.08554	5.1
207.10150	3.6
221.08087	16.3
221.11667	1.5
235.09645	34.3
236.10139	1.5
239.14874	18.6
259.20554	1.4
277.21600	2.2
287.19952	9.5
305.21094	60.8
306.21436	3.6
315.23264	2.9
329.24652	2.0
345.24316	9.4
346.24200	1.8
347.22095	2.4
347.25827	14.6
365.19427	2.3
371.25861	4.9
389.26846	13.7
407.33646	3.1
425.21515	19.3
425.29849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60123	0.6
56.76567	0.7
57.79123	0.7
61.30664	0.7
67.05492	3.0
71.08630	6.4
73.96813	0.7
77.08486	0.7
81.07054	2.8
83.08620	1.2
88.98653	0.7
89.05987	0.7
91.05466	1.2
91.66899	0.8
93.07088	0.8
95.08612	0.9
97.10175	1.5
99.08095	5.8
107.08566	0.9
109.06514	1.2
109.10144	1.6
125.06017	0.7
135.11655	0.9
137.05978	100.0
138.06314	2.4
150.08963	0.9
151.07550	1.3
161.09683	0.7
163.07573	4.6
167.07094	1.2
177.09122	7.8
179.06973	1.0
191.10698	1.4
203.10765	1.4
211.09563	0.8
222.71494	0.7
329.24802	2.6
347.25812	67.9
348.26096	5.1
371.25784	1.4
389.26852	13.1
390.27292	1.7
399.61050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	6.9
59.92371	1.6
62.76984	1.5
63.15980	1.6
71.08619	5.6
76.73896	1.4
85.10155	3.3
89.06030	4.3
95.04931	2.2
98.22861	7.4
98.98463	1.5
123.04423	53.5
126.03172	2.6
133.08554	3.5
137.05934	2.3
141.05492	9.1
150.53293	1.8
153.05469	3.9
199.87570	1.8
239.14876	5.9
301.55457	1.7
323.25760	95.8
324.26108	10.0
365.26837	100.0
366.27094	5.7
373.88174	2.0
407.27838	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	424.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79194	1.4
51.98401	1.6
55.05508	2.8
57.07074	8.8
67.05499	3.5
68.21029	1.9
69.07072	2.3
69.30736	6.7
71.08633	26.2
73.06552	6.3
79.05500	1.6
80.94846	1.7
81.07063	5.2
82.10966	1.5
83.08624	2.8
85.10190	5.4
87.59196	1.3
88.16328	1.6
89.06031	15.4
95.08585	1.9
97.10160	1.7
97.57686	1.5
98.22707	3.3
99.08109	7.5
99.08723	2.0
100.08472	1.8
106.76891	1.5
107.05003	2.1
109.10179	3.3
121.10105	1.6
125.06006	2.0
127.11147	2.0
133.08632	9.6
137.05977	100.0
138.06297	3.8
151.07567	4.0
163.07527	12.7
177.09122	14.9
189.09081	3.3
191.10683	1.9
203.10719	2.7
239.14841	10.8
329.24643	3.9
347.25812	95.6
348.26093	6.8
371.25839	3.0
389.26843	27.2
390.27463	2.5
407.33728	9.2
424.37503	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	425.085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31809	0.9
54.72848	0.8
56.13974	0.8
67.33366	0.8
69.67917	0.9
96.92834	2.6
101.00878	5.1
101.16513	0.9
119.01912	8.1
122.93040	0.9
127.02470	1.1
131.01917	2.9
139.03925	2.5
143.00148	1.1
143.01900	13.9
145.03448	2.8
155.01886	6.0
157.03452	2.7
161.02963	22.0
167.01950	3.4
169.03462	1.6
173.02962	7.1
179.01935	1.4
185.02950	15.6
187.04486	1.9
191.04019	1.7
197.02963	5.8
203.04025	6.7
209.78740	0.9
212.85223	1.1
215.04071	4.0
227.04057	2.1
238.84979	0.8
241.49681	0.9
245.05075	41.5
245.96671	0.8
246.05264	3.4
250.89500	5.4
251.04347	2.0
253.02917	1.0
257.04855	3.4
263.06134	11.6
270.89975	0.9
275.06155	6.4
281.03516	1.1
286.95746	2.1
287.05496	2.0
289.14651	0.9
293.07315	1.1
305.07263	5.2
335.08414	2.1
365.09174	2.4
425.08408	100.0
426.08707	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0844
Annotation	rostratin B
Peak:m/z	Relative Intensity
56.96571	1.7
150.70959	1.7
182.99588	1.8
201.00761	2.6
262.07098	2.0
263.02310	2.7
281.03210	9.3
299.04703	5.3
323.98837	3.7
335.98825	2.3
378.34827	1.8
425.08411	100.0
426.08768	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	425.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.40139	0.3
61.32604	0.3
64.28442	0.2
68.99805	0.5
69.07063	1.4
69.37192	1.2
79.05492	0.4
81.07023	0.3
85.02944	0.4
88.03975	0.3
91.05527	0.3
95.04971	0.3
97.10152	0.4
107.04974	1.4
111.11692	0.8
117.06991	0.3
127.53694	0.3
135.04405	1.6
137.05939	0.3
139.03885	4.1
143.10670	0.4
145.02806	0.3
145.06575	0.4
147.04428	0.9
147.07985	0.3
153.01805	1.0
153.05472	0.3
157.12236	0.7
161.06067	0.3
163.03874	3.0
163.07536	0.9
175.03915	0.3
177.08989	0.3
185.04225	0.4
185.05908	0.3
187.03922	1.2
199.03792	0.3
201.05411	1.2
202.06192	0.3
203.03377	7.4
213.05486	0.3
215.03415	0.5
229.02699	0.6
229.04944	10.7
229.07164	0.6
230.05421	0.8
231.15939	0.4
232.98987	0.3
241.04947	0.9
245.04457	12.3
246.04834	0.3
247.05737	1.3
248.06598	0.3
257.04434	100.0
258.04941	6.6
259.06003	0.6
263.08817	0.8
263.16525	0.6
269.04477	1.1
271.05984	1.2
284.44043	0.3
285.03952	0.4
287.05505	4.3
362.52744	0.3
389.06308	0.4
407.07608	1.8
425.08578	36.7
425.13846	13.8
425.18015	6.8
426.09167	2.8
426.14380	0.9
426.18988	0.3
449.14313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98532	0.8
63.45866	0.8
70.89967	1.0
82.99845	2.5
84.08066	0.9
86.06010	0.9
88.51443	0.9
94.99819	1.0
95.24294	0.8
97.02885	1.3
101.00870	18.6
103.07392	0.8
112.89594	1.1
113.00909	3.9
119.01112	1.6
119.01916	23.1
126.46870	0.8
127.02365	3.4
130.08646	1.3
131.01909	8.6
137.02946	1.0
139.02357	1.3
143.01898	41.5
144.02013	1.7
145.03459	9.2
149.02977	1.2
155.01892	14.5
157.03499	5.7
161.02959	48.0
162.03020	1.8
163.04436	0.9
167.01918	9.4
169.03424	3.1
171.04977	2.3
173.02962	20.9
175.04469	1.5
179.01938	4.6
181.03299	1.0
185.02953	37.1
186.02994	2.0
187.04489	4.3
191.03951	5.5
197.02962	13.8
199.04407	1.3
203.02170	1.1
203.03987	16.3
204.04070	1.1
215.04007	8.3
221.05003	1.5
227.03995	9.3
233.05177	1.0
245.05064	100.0
246.05217	5.0
251.04265	1.7
257.05020	6.4
263.06134	24.8
264.06213	1.7
269.05408	2.1
275.03677	1.1
275.06131	13.9
291.09375	1.0
293.06995	3.4
305.07095	9.7
335.08084	3.7
365.09326	8.1
425.01138	1.6
425.08124	33.4
426.08356	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	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
56.96573	0.8
64.82487	0.5
65.68067	0.5
83.55351	0.5
83.72816	0.5
98.23464	1.7
99.87962	0.5
122.87741	0.6
131.08597	1.0
164.39717	0.6
249.48299	0.5
263.05939	0.8
281.07025	2.4
293.10016	1.7
299.08063	0.8
324.88354	0.6
425.14264	100.0
426.14545	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	425.142
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
50.56414	0.5
54.36691	0.5
55.05500	1.2
59.40722	0.5
63.62598	0.5
69.45892	2.2
72.66785	0.5
76.99090	0.5
81.02330	0.4
84.31860	0.4
85.02876	0.7
100.11262	3.2
100.19084	0.5
105.07038	0.5
107.10426	0.5
114.09199	2.2
139.03883	1.6
149.09497	0.5
153.01868	0.5
161.05988	0.7
163.03873	1.1
163.07509	0.6
163.11150	1.0
182.15369	0.9
185.04224	1.2
189.08995	0.5
199.55666	0.4
203.03349	1.5
229.04999	2.2
245.04437	2.2
247.05769	7.6
248.06444	1.4
257.04456	20.9
258.04926	1.7
263.08878	6.0
287.05438	1.0
288.89594	0.5
319.94611	0.4
410.11603	0.9
425.08948	7.1
425.14066	100.0
425.34854	3.5
426.09210	0.9
426.14401	8.4
441.77350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.142
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
52.51371	0.4
68.99764	0.9
71.43551	0.5
76.26762	0.5
80.01479	0.4
81.21450	0.5
92.05862	0.4
95.08598	2.7
95.67710	0.5
111.08097	0.7
123.08058	1.6
129.49533	0.5
131.33458	0.5
132.51840	0.4
137.06009	0.5
139.03915	1.9
139.07561	0.5
141.09131	2.5
147.04410	2.0
148.04735	1.2
149.05942	0.5
153.01837	2.6
154.02194	1.8
155.01640	1.5
156.01909	0.8
163.02617	0.4
166.98270	0.5
176.04752	0.6
185.04210	1.3
195.02904	1.6
196.03207	1.4
197.05988	0.5
201.05502	0.5
203.03487	0.7
209.15283	0.6
245.04503	1.2
245.12727	0.8
247.05714	2.7
253.05235	0.4
257.04379	1.1
262.08118	16.6
263.08908	7.8
263.13623	0.6
271.05844	0.9
285.03705	0.5
287.05408	2.3
299.05566	5.3
336.02515	1.7
364.92224	0.5
407.07385	0.5
408.04648	0.8
425.09177	4.0
425.14157	100.0
426.14447	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	425.142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72444	2.1
70.06578	0.9
94.10551	0.6
98.23470	1.5
98.97588	1.2
139.03943	0.8
256.16797	0.9
262.08093	13.1
263.08881	8.7
281.08694	1.2
313.53445	0.8
407.11639	1.7
425.14230	100.0
426.14468	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	425.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09513	1.1
63.70452	1.1
70.08228	2.7
98.97594	4.3
139.03943	1.7
140.04263	1.7
165.72604	1.1
175.40784	1.3
183.41397	1.2
193.74184	1.2
226.14861	1.4
228.12798	1.4
261.05423	1.2
262.08209	2.1
263.08987	1.8
323.11722	1.3
333.44595	1.2
357.78229	1.2
384.26184	1.4
425.15021	100.0
426.15295	6.1
440.53476	1.3
440.70578	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46472	3.2
66.57704	3.1
68.05005	4.1
68.64758	3.4
69.79227	9.7
123.04365	3.7
185.24400	3.5
245.20828	6.3
304.48596	4.2
425.16251	100.0
425.21661	21.0
425.27087	15.4
426.85226	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	425.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.2
58.02963	0.9
58.06598	0.5
67.05501	0.8
69.15286	3.0
70.06606	0.6
71.05051	0.7
79.46461	0.4
83.04991	0.6
83.08646	0.6
84.04494	0.7
98.22723	1.2
100.11260	3.8
109.10134	0.7
111.04428	0.8
114.06039	0.5
114.09181	4.6
115.86615	0.4
128.07106	0.6
139.03922	1.6
139.11278	0.7
140.07132	0.5
140.10736	3.0
142.08629	2.3
146.10507	0.8
163.04016	0.8
168.10262	2.2
171.08163	0.5
182.15401	1.5
185.04327	0.6
191.10709	0.9
210.12003	0.5
210.14841	2.9
227.12776	0.9
228.13179	1.3
229.05019	1.1
241.19208	0.9
245.04591	0.7
247.05800	0.7
257.04449	6.8
258.05106	0.6
258.21854	1.3
263.12613	1.8
284.23358	1.4
287.05566	0.6
368.25485	0.9
394.27295	0.6
407.30237	0.9
425.08649	2.5
425.17920	100.0
425.31161	4.0
426.18201	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	425.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39747	1.2
61.77912	1.0
69.67544	3.9
81.07048	5.7
89.00036	1.0
95.08589	1.2
98.22715	1.6
99.09743	1.2
101.00867	2.1
115.50012	1.1
119.01910	1.4
143.01935	1.7
157.03482	1.4
161.02948	1.3
164.05580	1.3
201.03839	1.3
203.05342	2.2
243.04710	12.5
245.06375	6.0
271.04196	1.4
287.03714	92.9
288.04156	3.0
289.05289	74.7
290.05634	2.8
352.90933	1.1
381.18784	4.7
425.17816	100.0
425.23825	6.7
426.18112	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	425.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.3
69.07072	1.0
70.06576	0.9
71.43855	1.0
79.05473	1.2
81.07066	5.8
85.14973	0.9
91.05487	2.2
91.34473	1.0
95.08589	1.8
101.00964	1.0
103.05430	0.9
116.07040	1.3
119.01972	1.8
131.06229	0.9
133.10146	1.6
143.01895	1.9
175.54166	1.0
187.00935	1.8
193.05032	1.2
197.02968	1.2
203.05400	1.3
227.05310	2.3
229.01907	1.3
245.06386	8.9
249.94838	1.2
270.38458	0.9
271.04385	1.3
289.05316	73.9
290.05746	2.0
381.18677	4.5
408.10672	1.0
424.30728	4.1
425.17780	100.0
425.24991	4.3
425.29907	7.8
426.18060	6.3
432.64691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2146
Annotation	Ser Tyr Arg
Peak:m/z	Relative Intensity
69.03405	0.3
70.67867	0.2
71.89070	0.2
74.09845	0.2
75.74651	0.2
79.61311	0.2
85.02929	0.3
98.97565	0.2
100.11273	0.3
185.04230	1.3
203.05240	0.4
230.05496	0.2
247.13116	0.5
263.16162	10.7
264.16443	0.4
425.21411	100.0
426.21759	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	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	1.1
69.83403	2.0
69.83754	2.4
79.42704	1.1
83.01125	1.6
94.82406	1.0
98.23483	1.9
126.02919	3.7
139.03699	5.4
141.01378	1.1
195.09959	1.1
207.09976	3.8
224.13844	3.5
251.12555	6.6
307.15216	2.5
309.16782	5.4
337.16260	1.3
363.25162	1.9
379.24533	1.5
391.24539	100.0
392.24832	6.1
407.24051	57.8
408.24591	5.9
425.20950	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2661
Annotation	Leu Arg His
Peak:m/z	Relative Intensity
55.05490	0.8
57.07057	0.8
64.52219	0.7
69.42963	3.7
69.91286	0.8
72.13187	0.8
83.08596	0.9
85.95159	0.8
90.42551	0.7
95.08634	1.0
98.23433	1.8
116.27018	0.8
139.49115	0.8
149.13148	1.1
218.23433	0.9
259.92618	0.9
333.27808	1.2
365.19269	1.0
425.21777	3.7
425.26617	100.0
426.26968	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	425.3779
Annotation	Fern 9(11)-en-12-one
Peak:m/z	Relative Intensity
58.12957	6.1
62.84258	6.5
67.05505	12.9
69.07074	10.8
69.38985	15.0
69.39381	9.9
75.24637	6.1
81.07058	21.8
88.28513	6.4
93.07019	7.4
95.08601	44.7
105.07024	5.6
106.57580	5.2
107.08567	19.3
109.10147	46.0
119.08565	20.7
121.10152	27.5
123.11691	21.0
131.08220	5.0
133.10118	15.6
135.11665	17.9
137.13261	8.9
145.10075	6.2
147.11703	11.1
149.13261	18.1
161.13263	18.7
163.14787	13.2
175.14911	8.8
177.16440	8.6
189.16351	26.4
191.17917	19.9
192.75481	6.4
203.17812	8.4
205.19522	9.5
207.17412	7.4
219.20863	6.2
224.44318	6.4
245.22644	10.7
247.20717	8.6
349.75464	5.9
407.36786	28.3
425.21176	9.7
425.37790	100.0
426.38095	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	426.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69772	0.7
53.35706	0.7
55.05502	2.1
56.96563	2.3
57.03439	5.5
61.02925	1.2
69.03427	1.8
69.07051	1.1
69.40557	2.8
70.06605	3.1
71.04994	47.0
71.95772	0.8
73.02913	1.6
75.04491	2.7
81.03410	1.1
82.48194	0.7
83.04978	13.1
83.08627	0.9
85.02904	64.6
87.04472	1.4
91.05497	1.0
94.04076	1.6
95.04954	0.8
95.08643	1.7
97.02899	3.4
98.22693	1.6
98.97596	1.2
99.04454	1.0
101.06013	3.1
104.30954	0.7
109.02899	1.3
109.10110	1.0
111.04441	3.3
123.08075	1.8
127.03934	3.6
129.05476	32.2
137.06070	1.2
139.03886	1.5
145.04974	3.0
146.08142	1.1
147.04515	0.7
147.06535	13.7
150.07747	100.0
164.09192	2.0
179.03389	0.8
186.23763	0.8
195.06671	0.8
209.15408	1.0
210.15771	0.9
211.09703	0.9
219.03375	1.5
221.04840	1.6
223.02931	1.2
229.10712	3.4
237.04353	3.6
255.05453	1.8
255.08669	0.9
265.03882	6.1
265.06616	1.4
281.03391	1.3
283.04929	19.7
288.10672	1.1
295.11493	18.2
301.05795	4.8
409.07913	1.0
426.10507	2.7
426.18155	4.2
427.08771	11.4
427.19312	13.1
445.10226	1.0
454.57138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69772	0.7
53.35706	0.7
55.05502	2.1
56.96563	2.3
57.03439	5.5
61.02925	1.2
69.03427	1.8
69.07051	1.1
69.40557	2.8
70.06605	3.1
71.04994	47.0
71.95772	0.8
73.02913	1.6
75.04491	2.7
81.03410	1.1
82.48194	0.7
83.04978	13.1
83.08627	0.9
85.02904	64.6
87.04472	1.4
91.05497	1.0
94.04076	1.6
95.04954	0.8
95.08643	1.7
97.02899	3.4
98.22693	1.6
98.97596	1.2
99.04454	1.0
101.06013	3.1
104.30954	0.7
109.02899	1.3
109.10110	1.0
111.04441	3.3
123.08075	1.8
127.03934	3.6
129.05476	32.2
137.06070	1.2
139.03886	1.5
145.04974	3.0
146.08142	1.1
147.04515	0.7
147.06535	13.7
150.07747	100.0
164.09192	2.0
179.03389	0.8
186.23763	0.8
195.06671	0.8
209.15408	1.0
210.15771	0.9
211.09703	0.9
219.03375	1.5
221.04840	1.6
223.02931	1.2
229.10712	3.4
237.04353	3.6
255.05453	1.8
255.08669	0.9
265.03882	6.1
265.06616	1.4
281.03391	1.3
283.04929	19.7
288.10672	1.1
295.11493	18.2
301.05795	4.8
409.07913	1.0
426.10507	2.7
426.18155	4.2
427.08771	11.4
427.19312	13.1
445.10226	1.0
454.57138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16379	0.5
53.36231	0.6
55.01864	1.0
55.05501	1.8
57.03434	2.4
59.04991	1.4
61.02912	1.1
67.05167	0.9
67.05507	14.9
69.03427	2.0
69.07081	2.5
69.17709	1.2
69.18110	2.1
71.04988	1.1
77.04017	0.6
79.05488	1.9
81.07061	10.4
83.04975	0.7
83.08610	2.0
85.02904	5.5
85.06537	0.9
86.64417	0.5
87.04472	1.4
89.12379	0.4
91.03967	0.5
91.05476	5.7
93.07034	2.1
93.79107	0.7
95.04960	0.7
95.08613	2.2
97.02898	2.1
97.06517	2.2
97.10197	0.9
99.08078	1.0
103.03928	0.5
105.07043	4.6
106.07378	0.6
107.08578	1.7
109.06497	1.7
109.10156	16.8
111.08054	0.8
113.05999	0.8
115.03940	1.7
119.08565	6.0
121.10132	3.8
123.11726	4.0
127.03901	1.0
129.07004	1.5
131.08621	1.0
133.04965	1.4
133.10126	1.7
137.09584	1.1
137.13329	0.6
139.03813	0.6
143.10655	1.1
145.04955	1.5
147.11687	19.0
148.12073	1.1
149.09558	0.5
153.24054	0.6
155.10667	3.1
157.10115	5.2
162.11632	0.5
163.05934	0.9
165.12741	9.2
166.13033	0.7
173.11740	8.1
175.11182	5.9
193.12213	3.8
211.13287	3.7
229.14343	100.0
230.14700	4.1
247.15355	4.7
265.10645	0.6
367.48465	0.5
405.52121	0.5
426.14902	0.5
426.17136	0.5
427.18683	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	426.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05518	6.7
57.06831	1.1
57.07068	6.5
67.05507	4.5
67.44932	0.8
68.05035	4.1
69.03431	6.3
69.07072	5.4
69.26860	3.1
70.06588	4.9
71.08617	2.2
72.04486	1.0
79.05488	3.0
81.07072	4.2
83.08617	2.4
84.04507	3.9
85.10159	1.9
86.06068	17.7
87.04470	15.6
87.04995	0.5
91.05479	2.9
93.07044	4.0
95.04941	1.9
95.08608	5.3
96.04498	2.8
96.08118	1.9
97.06522	2.0
97.10186	1.9
98.06059	29.4
98.22622	1.5
105.07011	2.7
107.04974	1.1
107.08595	2.4
109.06511	1.7
109.10133	2.6
111.08023	1.1
112.03968	4.0
114.05507	2.3
119.08588	2.2
121.06503	1.1
121.10126	2.6
124.03971	2.5
124.07594	4.6
125.05993	1.3
126.05508	6.8
127.79129	0.9
128.03421	0.9
128.07069	2.5
133.06479	1.3
138.05508	1.3
140.03416	23.6
145.10062	1.0
147.08058	1.2
147.11806	1.1
152.03488	1.1
152.07068	14.2
154.04965	2.1
154.08611	1.0
166.08652	1.4
168.02916	12.2
168.06537	5.5
170.04480	4.7
175.07555	1.0
180.06558	8.9
182.04482	1.2
182.08115	1.5
189.09152	0.9
189.16435	1.4
196.06099	1.2
199.14784	2.0
207.17369	1.5
208.06033	6.8
213.00368	1.0
217.15906	3.2
227.14301	2.1
228.32849	0.9
232.09636	0.9
238.30624	1.1
262.18042	1.2
264.23267	1.6
266.21118	4.7
280.19095	8.0
292.22696	24.8
293.23022	2.0
302.21106	2.3
308.18573	9.5
309.19009	1.0
312.19595	1.4
320.22220	11.5
326.19498	7.4
330.20572	5.7
339.83041	0.9
340.21243	19.5
341.21341	1.1
345.72733	0.9
348.21841	4.5
350.23245	3.2
366.22549	1.2
376.21167	100.0
377.21423	8.3
394.21957	1.0
408.23831	25.2
409.24216	2.1
426.24832	28.5
426.36096	1.4
427.24814	1.5
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
54.48647	1.6
55.05513	24.5
57.02530	1.7
57.03437	9.0
57.07088	13.7
67.05514	8.5
69.07071	31.6
69.29980	6.9
69.30353	3.3
71.08627	7.5
79.05486	3.8
81.07063	11.5
83.08618	33.2
85.10175	3.6
91.05494	1.9
93.07037	7.6
95.08600	8.5
97.06532	4.4
97.10176	20.3
98.98470	61.2
105.07021	2.6
105.62924	1.6
107.08590	3.3
109.10146	5.3
111.08074	2.6
111.11704	5.8
119.37800	1.9
121.10146	6.9
123.11708	2.9
125.05978	12.8
125.09605	2.4
126.06351	1.6
131.52737	1.8
135.11703	7.5
149.13268	1.9
152.88365	1.8
155.01047	52.5
155.02306	3.3
173.02129	8.0
219.21078	6.2
237.22127	20.9
259.38486	1.9
311.25809	100.0
312.26111	6.8
375.08429	1.7
391.22424	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	426.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29176	1.8
53.27173	2.0
55.05518	2.5
64.69781	2.1
67.05505	6.7
69.07073	3.9
69.51862	8.2
69.56722	1.8
71.08621	2.9
78.57223	2.2
79.05480	3.6
81.07053	7.7
83.08635	2.7
91.05488	3.1
93.07047	4.5
95.04984	3.8
95.08594	6.2
98.22950	7.5
99.08092	2.3
104.99276	4.6
111.06404	1.9
117.98641	2.0
119.08606	2.3
121.06505	7.3
121.10095	3.4
123.04432	2.6
124.05183	2.6
125.05984	7.6
137.05957	8.9
139.07542	32.9
145.06471	2.2
151.07494	3.6
153.05461	28.8
155.07056	4.5
163.07574	4.2
167.07042	100.0
168.07346	3.0
175.11143	4.0
177.09142	9.1
179.07065	6.3
183.06529	15.3
191.10622	3.8
204.21941	2.1
205.08542	5.5
219.10202	2.9
223.09660	2.7
265.10822	2.6
299.20047	4.2
311.25455	3.1
317.20969	15.4
321.24011	2.4
331.22559	13.4
335.22159	37.7
336.22617	3.0
344.98566	2.4
349.23730	50.5
350.24121	3.8
391.24640	7.9
426.28879	3.4
427.24805	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	426.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
57.07082	0.8
65.33546	0.5
67.05512	3.0
69.07064	3.6
71.04986	0.5
71.08629	11.4
75.84339	0.5
79.05503	3.6
81.07056	9.4
82.06581	0.6
83.08620	3.8
91.05469	2.2
93.07037	2.8
95.08612	3.8
97.06529	0.8
97.10161	1.2
98.22690	1.2
98.98440	1.0
99.08086	9.5
105.07036	1.0
107.04947	1.1
107.08587	1.6
109.06499	1.7
109.10128	1.6
111.08057	1.6
119.08597	0.6
121.06490	3.2
121.10132	1.2
123.04416	1.1
124.05192	4.1
125.06000	1.9
129.07086	0.5
131.08598	0.7
133.06451	0.8
135.04442	1.3
135.11691	1.2
135.41855	0.6
137.05969	7.5
139.07538	37.7
140.07872	0.5
141.12727	0.7
145.10139	0.7
145.20738	0.5
147.11690	0.5
149.05934	0.6
151.07533	1.6
152.04666	2.8
153.05463	14.2
154.08633	0.7
155.01070	1.1
155.07056	2.2
159.08104	0.7
161.05986	1.4
163.07520	2.3
167.07033	100.0
168.07425	3.9
173.09572	1.0
175.07567	1.4
177.05487	1.0
177.09088	1.9
177.16370	1.7
179.07077	1.0
180.78111	0.6
181.08562	0.8
183.06505	1.8
185.09599	0.8
187.07536	2.4
189.09203	0.7
191.10732	2.4
193.08612	7.3
195.17421	6.2
201.09093	4.0
203.10709	1.6
205.08626	1.3
205.12198	1.6
207.10173	2.6
215.10693	1.4
217.12167	1.5
219.10120	3.1
229.12254	1.0
233.11722	2.5
281.18829	0.6
299.20099	2.9
311.25729	2.6
313.21661	4.9
317.21063	1.1
321.24213	1.1
331.22641	8.8
332.22800	0.6
335.22150	6.5
349.23718	48.0
350.24057	3.9
391.24844	7.4
392.24832	1.0
422.27069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17889	4.3
55.05507	8.7
57.07059	8.7
58.74810	3.0
61.34401	3.5
63.17335	3.7
67.05496	19.8
69.07065	7.3
69.42802	6.8
69.43195	8.5
70.06601	4.4
71.08627	7.9
79.05504	6.7
81.07052	24.0
83.08627	8.5
89.06028	26.5
91.05479	5.7
93.07044	5.0
95.08595	16.7
104.99264	7.7
105.07028	3.3
109.06535	8.2
109.10172	9.7
121.06445	3.6
125.06004	7.5
129.07065	5.1
130.76834	3.2
133.08627	9.3
135.47456	3.3
135.76797	3.1
137.05956	17.7
139.03937	3.4
139.07533	27.6
140.04654	6.3
151.07564	16.2
153.05473	15.1
154.97153	3.6
155.07033	12.3
161.05943	4.5
161.09630	6.2
163.07539	10.7
167.07036	55.7
168.04193	9.4
175.07576	9.6
177.09131	7.2
179.17818	4.4
183.06528	100.0
184.06921	5.5
189.09044	5.7
191.07059	5.8
193.08638	7.4
201.09119	10.3
203.10632	4.7
207.10147	19.2
215.10736	7.8
225.07512	16.9
229.12209	4.4
233.11835	5.3
235.13335	10.7
243.13791	4.2
249.14969	5.1
262.98001	8.1
271.20547	6.3
299.20035	11.3
313.21591	16.5
331.22632	68.8
332.23032	8.2
403.23428	4.9
409.31467	6.5
426.23624	4.8
440.81424	3.5
449.25214	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	426.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21044	1.1
55.05512	2.0
57.07078	2.0
69.07066	2.0
71.08633	3.9
71.45706	1.1
72.83643	1.0
79.05511	2.0
80.94839	1.3
81.07069	4.2
82.94562	1.4
83.08608	2.1
95.08604	1.8
99.08095	4.9
103.46528	1.0
104.99274	1.4
107.04973	1.9
110.03648	1.5
123.04404	2.6
125.05997	4.4
127.99820	1.2
137.05986	2.2
138.03128	8.2
139.03915	1.5
139.07535	3.4
147.04442	1.3
153.05469	100.0
154.05794	3.1
165.93576	1.2
167.07036	13.8
169.04976	2.2
170.61839	1.2
177.05498	1.2
179.07048	3.8
182.05843	2.3
187.07472	1.2
189.08908	1.3
193.08638	3.6
195.17499	1.9
196.07327	3.7
197.08147	1.7
205.08620	2.3
207.10287	1.5
211.09683	1.2
216.20139	1.1
219.10213	1.5
299.20206	1.4
317.21167	3.8
331.22565	2.7
335.18170	2.2
335.22159	34.3
336.22485	2.6
345.20682	2.7
349.23734	8.7
359.22009	1.6
367.24844	5.0
377.23227	4.0
395.24271	1.8
409.25903	3.2
441.27954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
57.07092	1.1
65.03935	2.3
67.05521	0.9
68.99800	0.5
69.03425	2.3
69.07059	2.3
71.08640	1.2
79.05485	0.9
80.71073	0.5
81.07056	1.6
83.04956	0.6
83.08595	0.9
93.07020	1.3
95.04916	0.5
95.08593	1.7
97.10168	0.8
107.08592	1.7
109.10172	1.0
111.04456	4.6
121.02892	3.3
121.10114	1.2
123.04430	1.6
135.04407	0.7
135.18346	0.5
139.03899	100.0
140.04254	3.1
149.05975	1.2
151.07529	0.5
153.05437	0.9
163.03999	0.6
163.07536	1.9
181.04973	2.3
215.74095	0.6
230.24713	0.8
244.52164	0.5
289.21606	3.7
307.22665	27.0
308.22974	1.6
325.23657	1.9
327.11679	0.5
349.23669	5.0
367.24728	3.3
382.69269	0.6
412.20328	0.6
426.28830	0.6
426.46634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.0
57.07078	100.0
69.03424	1.2
69.07068	1.4
69.19462	3.4
69.19873	3.3
71.08627	2.5
74.65323	1.2
81.07069	2.2
81.61570	1.2
83.08629	1.8
87.04468	21.0
89.06019	11.1
91.05489	7.1
93.07030	3.9
95.08605	1.6
98.23544	2.5
105.07046	3.8
107.08605	2.2
117.06989	2.2
118.07787	5.5
119.04916	3.3
119.08591	5.8
121.06515	13.4
121.10155	2.4
123.08076	3.3
131.07054	3.7
133.08604	3.5
133.10118	2.2
135.08052	5.0
135.11667	1.6
147.08066	14.7
149.09622	8.4
149.13249	1.6
150.06776	4.9
159.11702	2.4
163.11215	3.2
165.09131	9.6
173.09471	1.8
177.12732	2.7
191.10695	5.9
193.12218	3.5
211.13292	17.9
217.12201	1.9
233.19009	18.1
237.15086	1.4
259.20596	7.8
260.20892	1.3
275.20071	1.7
275.23718	7.1
277.21634	44.6
278.21942	3.5
279.15912	5.2
303.23163	8.8
426.21722	2.9
426.32291	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	426.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.1
57.03437	2.0
57.07079	8.6
63.39111	1.2
67.05502	6.7
69.07085	9.0
69.69980	3.7
71.08640	6.2
77.84208	1.1
79.05507	1.3
81.07066	7.9
82.94617	1.2
83.08619	5.0
85.06550	5.0
95.08611	5.6
97.10208	1.4
98.22895	3.6
99.08099	3.9
104.99282	2.7
109.10159	2.6
125.06009	12.9
137.05988	57.0
139.07532	3.9
151.07500	1.4
153.05473	1.8
163.07559	5.3
167.07010	8.8
177.09111	13.9
191.10625	4.2
219.10118	2.3
227.02776	1.2
279.19403	2.4
311.25809	3.2
313.25223	1.4
315.98801	1.3
331.26291	15.8
344.98499	1.5
349.27386	100.0
350.27634	7.2
391.24188	1.9
391.28531	5.7
427.24567	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	427.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60577	0.5
56.96567	23.3
58.35986	0.4
71.95251	1.3
73.00399	0.4
73.22581	0.4
75.23260	0.4
84.96014	1.0
97.02918	0.6
97.96790	0.5
98.97582	100.0
99.97899	0.8
110.97559	5.6
116.94044	0.4
116.98621	45.7
128.98601	6.3
134.99658	14.5
139.03856	1.1
140.00168	1.1
146.99631	2.6
149.29642	0.5
150.07758	8.8
153.00720	0.8
158.99677	2.7
165.05464	0.5
174.00761	0.5
177.00690	2.3
195.60921	0.6
197.01199	0.6
205.99046	0.5
208.00473	0.8
211.99881	0.5
221.98323	2.1
223.99893	1.1
226.01500	1.7
233.98364	2.1
234.99026	0.5
235.99886	0.8
237.00630	0.8
237.97818	1.1
239.99405	6.2
242.00987	0.6
244.02512	0.7
244.12627	0.5
245.10222	0.6
249.00728	0.9
249.97771	2.1
251.99428	9.0
253.00066	1.2
254.00999	0.8
255.01772	0.9
258.00513	1.4
259.05414	0.7
259.07922	4.9
261.97842	2.0
265.00168	1.2
265.06958	0.5
265.97223	1.0
267.01807	2.1
267.98914	14.7
268.01779	1.0
268.99377	0.8
270.00497	4.7
271.01035	0.6
277.00229	1.6
279.98904	11.3
280.99600	1.7
283.01248	6.2
283.04446	0.8
285.02850	4.4
286.00006	7.9
287.00458	0.6
291.98911	0.8
295.01205	5.8
295.11526	2.0
296.01746	0.6
297.02795	0.7
297.99963	10.1
298.02975	0.4
299.00653	1.0
301.02286	3.1
303.03824	1.5
307.01227	17.4
308.01471	1.0
309.99936	1.0
313.02301	28.1
314.02618	0.7
321.02789	0.7
325.02295	68.6
326.02664	3.0
331.03336	8.5
332.03827	0.8
337.02213	1.6
339.03809	0.7
340.00873	0.6
343.03409	9.8
348.03949	2.3
349.02463	0.8
355.03217	0.6
367.03305	1.3
382.04135	0.6
385.04468	10.0
403.05493	8.4
404.05862	0.6
427.05380	11.7
427.11719	4.2
427.19949	0.8
428.05835	0.7
445.06494	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	427.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63990	6.6
70.06589	9.4
70.16562	12.0
70.16911	10.2
84.08154	16.9
103.00645	16.3
120.74097	6.7
121.01665	15.0
130.08640	26.0
136.06224	8.5
138.74982	7.8
145.01674	31.2
146.08087	10.2
157.01657	13.4
161.03050	8.3
163.02676	41.2
175.02748	16.6
187.02789	26.8
205.03792	14.2
245.05135	9.0
246.05235	10.7
247.04878	100.0
265.06219	15.9
277.06058	9.6
307.07211	9.2
320.54034	8.6
320.57614	7.9
321.68317	7.1
324.10352	8.6
349.02374	7.8
367.09442	13.2
427.06168	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.4
70.06586	1.2
70.35748	0.9
70.36090	0.9
71.41851	0.6
78.29273	0.7
98.97586	21.0
106.62994	0.6
110.97562	2.4
116.98625	9.1
128.98595	2.6
134.99663	3.0
136.06126	1.0
137.05971	0.8
146.99789	0.7
150.07750	1.5
154.69615	0.6
158.99655	0.7
177.13139	0.6
179.03337	1.2
191.10252	0.7
219.01752	2.3
220.22096	0.6
233.98257	0.6
237.02722	3.4
239.99429	0.8
251.99443	1.3
258.00433	0.8
259.07813	1.5
264.07550	0.8
265.06732	1.3
267.01740	0.8
267.98892	2.3
270.00491	1.2
279.98810	2.0
283.01239	1.5
285.02765	0.6
285.99908	1.5
295.01328	1.7
297.99911	2.4
301.02145	1.0
307.01230	2.8
313.02246	4.2
325.02356	10.6
331.03217	1.3
341.05502	1.5
343.03256	1.2
359.06433	3.0
385.04135	1.9
401.07510	0.7
403.05280	1.2
427.06638	7.5
427.12024	100.0
427.19199	9.0
428.06976	1.0
428.12112	3.9
445.06540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.96561	3.4
57.03415	1.2
57.04549	0.3
69.03420	0.4
70.06610	0.3
71.04993	6.0
72.05312	1.2
75.04453	0.5
81.03407	0.5
81.07063	0.5
83.04976	2.7
84.96054	0.5
85.02418	0.6
85.02908	8.6
85.70000	0.3
86.03238	1.5
86.04097	0.3
86.06049	0.5
94.04028	1.3
95.04940	0.3
95.08612	0.3
97.02856	0.7
98.97575	0.7
101.05976	0.3
107.08614	0.6
108.33511	0.3
111.04457	0.5
116.98625	0.4
121.10140	1.0
122.05967	0.4
123.06654	1.0
123.20319	0.3
124.45741	0.3
126.28515	0.3
127.03915	0.9
129.05487	3.6
130.05814	1.1
133.05124	0.8
136.06151	0.5
140.07094	0.6
145.04935	0.4
147.06490	1.5
148.06944	0.7
150.07748	100.0
151.08197	1.5
166.15799	0.3
167.10719	0.5
179.00237	0.5
179.03531	0.4
185.11786	0.6
193.86792	0.3
197.01173	0.5
201.00702	0.5
203.05292	0.8
205.01625	0.5
219.03380	2.1
221.04919	1.4
223.02763	1.3
227.02371	0.5
229.10590	0.4
231.12215	0.5
237.04352	4.5
239.05794	1.7
241.03886	0.4
247.02808	1.3
249.13474	0.4
253.03949	0.4
255.05412	1.4
263.02347	0.5
265.03857	8.5
265.06967	1.1
265.10403	0.3
266.04123	0.3
273.06421	0.4
281.03336	1.4
282.04031	0.5
282.11835	0.4
283.04895	25.5
284.05261	1.4
288.10831	1.3
295.11493	22.2
296.11761	1.0
299.04483	0.6
299.10361	0.8
301.05988	5.3
306.06665	0.4
325.05939	0.8
381.08563	0.9
383.12573	0.4
409.07999	1.3
427.09094	16.3
427.19415	23.6
428.09714	0.9
428.14597	3.7
428.19836	1.0
445.10049	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	427.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.4
63.71986	0.3
70.06596	0.5
70.82010	0.5
72.04493	0.4
83.44831	0.4
85.02880	0.9
98.97582	22.4
110.97561	1.2
116.07059	0.7
116.98622	10.0
120.23527	0.3
128.98607	1.7
134.99654	2.4
137.05960	0.4
146.99655	0.6
150.07738	0.9
153.00723	0.5
158.99646	0.4
177.00653	0.4
179.03351	0.4
203.05246	0.6
221.98308	0.4
226.01489	0.4
235.99706	0.4
239.99457	1.3
249.00764	0.5
249.97812	0.5
251.99429	1.6
259.07938	1.0
265.06873	1.2
267.98862	2.9
269.03616	0.3
270.00436	0.9
279.98907	2.4
283.01123	1.6
285.02814	0.6
285.99805	1.2
295.01193	1.2
297.99966	2.5
301.02386	0.8
307.01212	3.7
309.99905	0.4
313.02277	6.8
325.02298	15.2
326.02518	0.5
331.03360	2.2
343.03485	2.5
367.03183	0.5
385.04596	2.4
397.18475	0.8
403.05795	1.7
409.19366	0.4
427.12042	100.0
427.19028	7.1
428.12427	5.9
445.06650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.2
57.04546	0.6
59.83244	0.1
70.06571	0.2
94.04054	1.2
96.05608	0.3
98.23484	0.6
98.97550	0.3
101.06052	0.2
118.35490	0.1
119.03457	0.2
121.68463	0.1
123.06689	0.8
133.05074	0.4
135.05363	0.2
148.06166	0.4
150.07744	100.0
151.08197	1.8
167.10750	0.2
182.95309	0.2
214.57314	0.2
261.45969	0.2
265.04266	0.2
265.06873	0.8
282.12003	0.6
283.04944	0.5
283.08261	0.2
295.11484	19.4
296.11719	0.9
299.10309	0.5
308.89838	0.2
312.06094	0.2
348.07095	0.4
409.10931	0.2
427.10223	1.1
427.13452	1.1
427.19415	6.9
428.14685	1.9
428.19864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
56.96556	2.7
57.03443	1.5
67.05505	1.2
69.03424	2.2
69.07070	10.4
70.06609	0.9
71.04991	2.9
71.41819	1.3
71.60957	0.8
72.06163	0.9
73.06565	2.3
79.05505	1.7
81.03450	1.1
81.07056	1.0
83.08624	2.6
85.02910	11.5
91.05488	2.0
95.08579	1.1
97.02901	3.4
97.06542	2.5
98.97586	8.9
99.04484	1.2
101.09641	2.8
102.96899	0.8
104.01235	0.8
107.08597	1.1
109.10138	0.9
112.01320	1.2
113.02139	1.6
115.07571	1.9
116.98640	3.0
119.08557	1.0
121.06511	1.5
125.06001	4.1
127.03924	2.5
133.04974	1.3
134.99701	1.1
139.03906	1.0
141.01823	1.2
143.07062	11.2
145.04976	4.9
150.07782	9.1
161.08099	3.2
161.09488	1.0
163.05989	2.0
175.07549	1.3
175.11240	1.1
185.04271	2.2
190.06039	1.5
194.37778	0.9
203.05296	2.6
217.10696	22.7
217.12616	1.7
235.11803	3.2
242.08165	3.5
247.09305	1.3
247.13287	3.0
251.99588	1.4
252.39751	0.9
259.07858	5.4
265.10379	2.2
265.14328	5.7
283.04953	2.8
295.11401	2.2
307.01154	1.2
313.02246	2.5
325.02502	4.2
353.15393	1.6
407.66174	1.0
409.18622	5.6
412.51880	0.9
427.15427	95.9
427.19553	100.0
428.15015	7.6
428.20016	5.3
435.76746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30608	0.3
56.96560	1.0
57.03431	0.4
57.04551	0.4
62.55368	0.3
69.03402	0.4
70.17245	0.6
71.04982	1.0
79.05495	0.3
81.03389	0.3
83.04996	0.6
85.02896	2.1
86.06065	0.3
93.07045	0.4
94.04044	1.6
96.03987	0.3
97.02882	0.4
97.10133	0.3
98.22767	0.3
99.84634	0.3
105.05733	0.3
107.08584	0.9
109.02876	0.3
115.11179	0.4
121.10143	1.7
123.06641	0.7
127.03924	0.5
129.05475	0.9
131.08615	0.5
136.06172	0.4
140.07077	0.3
149.09650	0.5
150.07751	100.0
151.08202	1.8
164.06973	0.3
167.10689	1.2
173.06416	0.3
183.06657	0.3
185.11716	1.0
213.11131	0.3
215.59685	0.3
219.03351	0.5
221.04926	0.3
231.12323	0.7
237.04520	1.4
239.05879	0.8
247.02959	0.4
247.06061	0.4
249.13338	0.8
255.05443	0.6
264.05984	0.6
265.03830	2.5
265.07028	1.5
280.93851	0.3
281.03394	0.4
282.11993	0.6
283.04901	8.0
288.10757	0.6
295.11496	21.8
296.11890	0.7
296.38934	0.3
299.10449	1.0
301.05972	1.5
348.07233	0.6
383.12268	0.6
411.12387	0.4
427.10016	6.0
427.19351	16.1
428.10031	0.4
428.14478	3.7
428.19861	0.8
445.09937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31638	0.9
52.21804	0.8
53.32304	0.8
56.02993	0.8
65.10306	0.9
67.12447	0.8
68.43031	0.9
70.31829	1.9
81.07059	1.4
95.10126	0.8
127.00049	1.6
137.95570	0.8
154.19394	0.9
167.03175	3.8
179.10480	4.0
185.04231	3.3
214.94928	0.8
227.05261	11.5
271.04254	47.0
272.04504	1.5
289.05209	1.3
303.10535	0.9
330.01556	0.8
341.15536	2.4
383.16742	13.8
427.15750	100.0
427.26904	15.4
428.15976	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	427.173
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
64.92771	0.7
69.18980	4.7
74.07815	0.8
81.03381	0.9
85.02902	1.8
162.03743	1.4
383.16501	1.6
389.44391	1.0
427.17224	100.0
428.17593	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	427.1732
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
69.23682	3.2
86.20849	0.6
93.84458	0.7
121.02874	3.0
123.04327	1.0
139.03888	6.4
163.07574	0.7
185.07143	0.7
247.08656	1.1
265.09521	1.4
278.85504	0.7
427.17264	100.0
428.17627	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	427.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23682	3.2
86.20849	0.6
93.84458	0.7
121.02874	3.0
123.04327	1.0
139.03888	6.4
163.07574	0.7
185.07143	0.7
247.08656	1.1
265.09521	1.4
278.85504	0.7
427.17264	100.0
428.17627	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	427.1734
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
70.06600	1.8
71.15045	1.3
85.02901	2.6
85.06512	1.4
87.46735	1.2
91.05469	1.8
93.07040	1.6
93.57505	1.3
95.04962	3.2
97.02953	1.1
101.89028	1.3
105.07021	2.9
111.04427	4.5
119.08617	2.4
121.06491	1.3
123.04459	1.5
131.08578	1.5
133.06497	2.0
135.18494	1.2
139.03886	2.2
145.02789	1.5
145.10072	2.1
147.08058	4.4
152.83380	1.3
158.07271	1.4
159.08058	2.5
159.11697	1.3
167.00998	1.1
172.08792	1.5
175.07454	2.6
177.05400	1.7
179.03506	5.6
187.11238	1.9
193.08643	5.2
238.21747	1.5
241.90926	1.2
247.13336	2.1
265.14368	32.4
303.38821	1.3
327.00574	1.3
427.17288	100.0
428.17474	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.5
69.03397	0.5
76.68298	0.5
81.07050	0.5
85.02876	0.8
90.59279	0.5
91.08810	0.4
114.09166	0.5
121.02872	3.8
121.50326	0.5
123.04450	0.5
139.03896	9.2
151.03906	1.0
163.03908	0.6
163.07584	0.6
167.07069	1.0
170.11833	0.5
192.93362	0.5
203.81303	0.4
213.09082	0.6
228.25963	0.5
247.08694	1.4
248.57457	0.4
265.09821	0.9
265.14099	0.5
274.62897	0.4
277.87820	0.5
286.10690	0.6
289.07007	0.7
368.25211	0.5
375.91226	0.5
427.17270	100.0
428.17557	6.4
430.21738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14594	0.4
53.17825	0.4
57.03443	0.5
58.11883	0.4
62.93806	0.4
65.03952	0.5
67.05494	3.7
68.05824	1.1
69.03424	0.9
73.13990	0.4
73.46210	0.4
81.03422	0.8
81.07061	1.2
85.02911	1.8
85.26091	0.5
91.05516	0.5
93.07014	0.5
97.02886	0.8
109.02870	0.6
109.10140	3.6
110.10500	1.9
118.06564	0.5
121.02853	6.7
123.04432	0.8
127.03914	0.8
133.10213	0.6
139.03905	12.6
143.77797	0.5
151.03929	1.0
155.10658	0.7
156.22704	0.4
160.07600	0.9
167.07123	0.6
173.11768	1.3
174.12086	1.1
183.66342	0.4
188.07133	1.2
203.05383	0.7
205.04915	0.6
206.08142	1.0
211.11281	0.5
229.14328	4.4
230.14685	5.7
240.10474	0.4
247.13165	1.2
248.09206	1.1
265.11172	0.9
265.14136	7.3
266.13931	1.0
286.10803	1.1
289.07095	0.8
427.19455	100.0
428.19870	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	427.1941
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
55.05502	0.3
56.64373	0.2
57.03430	0.3
59.17828	0.2
61.02896	0.3
67.05502	0.7
68.86069	0.2
69.03423	0.6
69.07070	0.5
70.06572	0.5
72.08158	0.3
79.05506	0.4
81.03413	0.5
81.07058	0.7
82.03733	0.4
83.05006	0.2
85.02897	1.0
87.00812	0.4
91.05466	0.4
95.04945	0.3
96.08163	0.3
97.02890	0.3
99.04446	0.4
105.07052	0.2
109.02896	0.5
109.10179	0.6
124.04040	0.4
127.03940	0.5
132.04446	0.4
133.04729	0.4
144.11020	0.3
147.36139	0.2
178.04973	6.3
179.05338	6.1
179.06865	0.5
203.05336	0.4
218.10399	0.2
229.14529	0.5
230.14836	0.9
247.13094	0.5
265.10544	4.6
265.14157	1.0
294.68011	0.2
299.11060	0.5
317.12302	0.7
383.16776	0.6
409.18549	0.5
427.19482	100.0
428.19800	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	427.1963
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03939	2.3
55.05512	4.4
57.03444	2.0
57.07075	1.8
59.05010	1.8
61.23521	1.5
63.98468	1.5
67.05506	7.9
68.05857	2.4
69.03428	9.1
69.07121	1.5
70.41534	1.9
70.41862	2.6
73.78622	1.4
79.05489	4.3
81.07055	4.7
83.04962	9.3
85.02876	2.2
85.06548	2.5
91.05471	8.2
92.05840	1.8
93.03405	2.3
93.07032	10.0
95.04965	2.3
95.08604	2.9
97.02876	3.4
97.06501	1.5
98.23461	1.5
99.04424	1.9
100.11259	1.6
105.07058	7.5
107.05029	2.2
107.08587	11.5
109.02872	10.8
109.06513	8.4
109.10148	8.1
110.10530	4.4
111.04446	3.6
111.08091	1.5
112.15781	1.4
113.05957	1.8
115.05460	1.5
117.07047	3.4
117.57944	1.3
119.04913	1.4
119.08563	10.9
121.06511	18.6
121.10164	3.6
123.08056	1.9
125.05984	2.2
125.09627	1.5
129.07057	3.1
131.08553	9.0
133.10146	3.8
135.08041	25.5
137.05989	4.6
137.09583	2.4
143.08546	4.0
144.09344	3.4
145.06476	4.7
145.10120	4.9
147.08028	3.1
149.09622	10.1
150.10399	1.7
151.11163	1.8
155.08600	2.5
158.07259	1.7
158.10942	4.6
159.08067	6.7
159.11691	11.3
161.09593	2.7
163.07547	13.2
163.11154	2.7
165.09061	2.4
167.07077	4.1
169.10095	2.2
170.10970	2.2
171.08061	2.0
172.08865	3.6
173.09624	6.6
173.11839	3.2
173.13251	18.7
183.11696	2.9
185.13171	2.1
186.10391	7.3
187.11169	42.6
191.07022	9.3
198.06808	2.1
201.12727	30.8
203.14337	3.6
205.12225	12.3
211.11195	3.7
213.09012	3.1
219.13765	8.7
225.28676	1.5
229.12248	44.2
229.14337	6.5
230.12543	3.9
230.14717	12.2
243.10135	2.0
247.13290	100.0
248.13570	7.4
265.14270	6.1
355.12064	2.3
363.12088	2.5
383.16455	1.7
384.15756	8.8
409.16608	3.0
410.12457	2.4
427.19601	45.9
428.19440	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	427.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27920	4.5
50.37883	4.8
50.65574	4.8
69.22935	24.7
69.23299	8.6
76.45464	4.3
81.07067	7.8
119.83076	5.6
119.87466	4.2
135.52544	4.1
141.65662	4.3
143.34479	5.2
196.64140	3.9
200.24152	5.2
222.36613	4.4
427.22977	65.3
427.30292	100.0
428.30820	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2307
Annotation	Sinulaflexiolide C
Peak:m/z	Relative Intensity
52.63924	0.8
69.03419	1.4
69.48702	3.7
70.12279	0.9
76.90231	0.9
79.05481	1.0
81.03430	1.2
85.02890	1.3
99.04465	1.3
112.35620	0.7
127.03908	1.6
129.80461	0.9
131.08563	1.3
137.06035	1.2
145.06451	4.8
151.07527	2.1
157.10158	1.1
175.07603	2.3
175.11893	1.1
177.09091	1.1
185.31538	0.9
203.12785	1.0
231.13783	3.9
247.13388	0.9
248.13791	1.0
292.92627	0.9
328.85443	0.9
335.28989	0.8
427.13528	2.8
427.23035	100.0
428.23502	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	427.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37008	1.0
57.32122	1.0
64.75874	1.0
69.22578	6.6
129.74292	1.1
159.74327	1.2
236.93886	1.2
251.87003	1.1
348.77740	1.1
349.74304	1.1
385.23462	100.0
386.23734	5.5
427.24652	16.2
428.24875	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97087	0.5
67.58632	0.5
69.30668	1.2
69.31075	1.4
77.31078	0.4
81.88702	0.5
86.81738	0.4
98.23521	0.8
114.46568	0.4
116.62878	0.5
204.39143	0.5
385.23492	100.0
386.23807	6.4
427.24567	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09801	3.2
78.28753	0.4
85.82021	0.4
98.22692	1.0
98.98456	0.6
155.01031	1.0
159.52287	0.4
173.92648	0.4
313.27356	0.5
367.83319	0.4
374.51099	0.4
427.24570	100.0
428.24976	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	427.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.07072	1.6
67.05525	0.6
68.77381	0.8
69.07090	0.9
70.88805	0.6
71.08614	0.7
81.07054	1.2
83.08632	0.6
95.08601	1.1
98.98463	2.3
109.06490	0.6
109.10165	0.8
119.47370	0.6
155.01059	3.0
165.12828	1.8
279.70505	0.6
291.23190	2.7
313.27393	1.9
393.23895	1.1
427.24551	100.0
428.24982	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	427.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	1.2
60.81081	0.8
69.07069	0.9
70.03872	1.4
70.04199	1.1
85.86813	0.8
88.58038	0.8
94.16690	0.8
98.22785	1.3
138.26764	0.9
165.09163	1.9
188.19507	0.9
220.86462	0.9
238.36667	0.8
245.30995	0.7
397.30249	0.8
427.28268	100.0
428.28635	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	427.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03948	1.2
55.05512	0.6
57.07076	93.2
58.07409	0.8
64.43702	0.3
65.53396	0.3
66.26723	0.3
69.03433	0.6
69.07051	0.5
69.56468	1.3
71.08623	1.3
73.06575	0.8
77.03899	3.6
79.05490	1.2
83.08613	0.5
84.85031	0.3
87.04470	5.4
88.33434	0.3
89.06030	100.0
90.06358	1.1
91.05480	13.9
91.07601	0.8
92.05858	0.5
92.09197	0.3
93.07044	24.2
95.04971	7.7
95.08588	0.4
103.05462	6.9
105.04532	3.7
105.07056	2.2
105.07636	0.4
107.04936	0.7
107.07068	0.9
107.08596	2.0
109.06521	0.6
113.13277	1.3
116.81115	0.4
117.07019	1.3
118.07787	7.0
119.04945	4.7
119.08588	5.1
120.45033	0.4
121.06503	94.7
121.10121	1.3
122.06786	2.3
123.06102	0.4
123.08098	0.5
129.07014	0.5
130.08636	1.2
131.07083	0.3
133.08603	59.3
134.08952	1.1
135.08046	2.8
135.11702	1.7
139.07556	0.7
141.04138	0.3
147.08047	13.9
149.09593	2.7
149.13243	0.8
150.06726	2.5
159.11668	1.7
163.07579	0.7
163.11201	1.9
165.09116	47.7
166.09450	1.3
167.10660	1.0
173.09752	0.5
177.11237	13.3
177.12718	1.7
183.10059	0.5
191.10651	1.3
193.12346	0.4
209.11719	23.6
210.12042	1.2
211.13327	0.4
217.17067	0.7
221.13843	1.3
227.12772	5.9
233.18991	15.4
234.19337	0.8
253.14296	1.5
259.20465	0.5
271.15430	4.9
277.21625	19.9
278.21890	0.7
315.18011	75.7
316.18265	3.6
321.24106	1.3
427.30527	5.0
428.30670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66741	1.0
53.06485	0.8
55.01869	1.5
55.05507	2.1
57.03434	6.4
60.23080	0.9
61.02915	2.1
67.05504	2.6
69.03426	7.7
69.07065	47.8
69.55295	2.5
69.55686	1.9
70.06585	1.8
70.07384	1.2
70.94752	0.8
71.04990	1.5
73.02902	3.5
73.04742	1.0
73.06561	5.1
77.11720	0.9
79.05482	7.7
81.03410	4.8
81.07037	3.3
83.04967	1.1
85.02899	26.6
87.04472	1.9
92.60963	1.0
95.01312	3.3
97.02876	8.2
97.06532	16.4
98.97560	2.1
99.04417	1.0
99.08115	1.4
104.07048	1.7
105.00932	0.8
109.02871	2.3
115.03910	3.3
115.07555	10.4
117.09137	1.7
125.05980	14.4
127.03919	7.2
132.98230	0.9
133.04922	2.4
136.06195	1.3
137.05965	1.1
141.01804	4.9
143.07025	52.4
144.07338	1.4
145.04970	14.5
150.07678	4.3
151.08040	2.0
153.05331	0.9
159.02867	1.2
161.08073	12.6
163.05994	5.4
189.07600	3.2
195.66147	0.9
199.09703	5.0
217.10698	100.0
218.11063	4.2
231.12296	1.4
235.11746	12.7
266.14203	1.2
267.64883	0.9
325.11255	1.4
326.02325	1.2
334.57718	1.2
355.17172	1.5
393.14053	1.2
410.18555	1.3
428.14987	19.8
428.20010	12.4
429.11011	2.0
429.21420	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47132	0.6
53.03936	2.1
55.01870	2.5
55.05517	0.6
57.03431	5.4
61.02483	0.5
61.02617	0.7
61.02923	9.7
69.03423	15.9
69.07062	10.2
69.58741	2.1
70.06555	0.6
71.04982	2.1
73.02895	3.5
81.03413	6.4
81.07043	1.1
85.02901	100.0
86.03235	1.2
87.04455	1.9
91.03945	6.1
93.07069	0.9
95.08568	0.8
97.02885	22.1
98.23418	0.7
99.04446	4.1
103.03954	1.3
105.07035	0.9
107.08567	0.6
109.02873	8.3
111.08091	1.6
115.03930	0.8
127.03911	24.1
137.09554	0.8
140.15601	0.5
145.04948	53.6
147.64201	0.6
153.09056	0.7
163.06017	24.0
164.06375	0.6
174.23346	0.6
177.09094	1.0
195.10191	2.2
213.11220	2.5
217.10666	1.2
218.68962	0.7
231.12262	0.8
289.09250	0.8
325.11218	2.7
383.16638	1.6
428.12479	1.3
429.17117	7.8
451.10199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19254	0.6
64.84136	0.6
67.26030	0.6
69.03421	3.2
69.69884	1.4
73.02921	0.9
80.28553	0.7
81.03410	0.9
81.07049	0.8
85.02396	0.9
85.02895	6.9
91.05476	2.7
93.07054	0.9
97.02879	2.4
98.23459	0.7
99.04418	0.8
105.07019	1.1
109.02847	1.1
115.05411	0.8
116.06219	1.2
121.06523	1.1
127.03927	3.8
128.06212	4.5
129.07021	3.4
131.08574	1.9
141.06978	1.5
142.06851	0.7
142.07722	3.8
143.08566	17.6
144.05679	0.9
145.04977	1.7
148.96927	0.7
155.08582	4.4
156.09349	3.6
157.10139	7.4
158.07220	4.1
159.08055	86.1
160.08400	2.9
165.07100	0.9
169.10074	3.2
170.10898	14.5
171.08095	3.1
171.11667	2.9
172.08795	1.4
173.04486	1.2
175.07542	29.7
175.38861	0.8
176.07825	1.4
183.11688	1.8
184.12503	0.9
185.13254	64.6
186.13539	3.3
195.11729	2.8
198.10361	4.0
201.12782	0.9
203.14287	2.0
205.12289	1.6
213.12738	67.4
214.13109	3.1
215.14328	1.5
231.13792	12.4
232.14073	0.8
267.15887	1.3
292.93750	0.7
319.11694	0.9
337.12805	100.0
338.13187	6.5
375.18143	1.5
393.18991	5.1
428.19623	1.1
429.21005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05461	1.0
68.80698	1.2
69.03428	2.8
78.65001	1.1
81.03374	1.6
83.80717	1.3
85.02904	6.9
88.69431	1.1
90.59377	1.1
91.05489	2.6
93.07041	1.6
95.84863	1.2
97.02920	1.9
105.07034	3.1
117.07001	3.9
119.08607	1.7
122.03234	1.3
127.03875	2.2
129.07010	10.2
131.08568	8.4
133.10126	2.0
139.03920	2.9
141.06960	5.5
142.07811	3.2
143.08562	15.4
145.04921	1.1
145.06470	6.5
145.10121	3.7
145.64633	1.2
148.67412	1.3
153.07104	1.1
155.08592	9.0
156.09346	5.9
157.10120	16.9
159.07990	6.5
159.11688	1.8
161.09552	1.4
163.07584	1.5
165.07056	1.9
167.08624	1.8
169.10149	9.6
170.10907	9.6
171.08043	5.0
171.11684	25.1
171.13048	1.8
172.12383	1.4
173.09622	2.1
173.13286	4.4
175.07652	1.4
177.05431	1.2
183.11702	10.0
185.13232	12.6
187.11200	5.3
189.09137	2.6
195.11652	10.6
201.12712	5.8
203.10643	2.1
203.14357	3.9
213.12743	88.9
214.13058	3.3
219.13647	1.8
231.13797	100.0
232.14178	6.5
249.14871	23.1
314.53229	1.5
318.70581	1.4
393.18936	1.6
428.21646	3.3
429.21326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	0.7
65.76058	0.8
67.92640	0.8
69.03419	2.7
69.70064	2.9
73.02924	0.9
76.11247	0.7
77.67793	0.8
81.03385	1.3
85.02893	6.0
86.12065	0.8
91.05489	3.1
97.02889	2.7
116.06229	0.9
119.08575	1.6
127.03904	2.1
128.06238	2.7
129.07013	3.8
131.08562	1.9
141.07011	1.0
142.07802	3.6
143.08563	14.2
145.04924	0.8
147.08022	0.8
149.07426	0.7
155.08533	3.1
156.09332	3.1
157.10146	6.9
158.07272	3.3
159.08052	77.0
160.08397	2.0
169.10130	3.0
170.10921	11.3
171.08113	2.5
171.11638	3.2
172.08908	1.3
173.04416	1.7
175.07539	29.6
180.56792	0.9
183.11755	2.2
184.12535	1.2
185.13251	59.4
186.13576	2.8
195.11681	1.8
198.10394	2.7
203.14345	1.6
205.12296	1.6
213.12743	62.1
214.13107	3.0
215.14430	1.4
231.13812	14.3
232.14351	0.9
238.25935	0.8
249.14851	1.2
267.15988	0.7
337.12808	100.0
338.13101	5.9
345.62573	0.8
367.21301	1.0
375.18112	2.6
393.19202	5.5
429.20923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05461	1.0
68.80698	1.2
69.03428	2.8
78.65001	1.1
81.03374	1.6
83.80717	1.3
85.02904	6.9
88.69431	1.1
90.59377	1.1
91.05489	2.6
93.07041	1.6
95.84863	1.2
97.02920	1.9
105.07034	3.1
117.07001	3.9
119.08607	1.7
122.03234	1.3
127.03875	2.2
129.07010	10.2
131.08568	8.4
133.10126	2.0
139.03920	2.9
141.06960	5.5
142.07811	3.2
143.08562	15.4
145.04921	1.1
145.06470	6.5
145.10121	3.7
145.64633	1.2
148.67412	1.3
153.07104	1.1
155.08592	9.0
156.09346	5.9
157.10120	16.9
159.07990	6.5
159.11688	1.8
161.09552	1.4
163.07584	1.5
165.07056	1.9
167.08624	1.8
169.10149	9.6
170.10907	9.6
171.08043	5.0
171.11684	25.1
171.13048	1.8
172.12383	1.4
173.09622	2.1
173.13286	4.4
175.07652	1.4
177.05431	1.2
183.11702	10.0
185.13232	12.6
187.11200	5.3
189.09137	2.6
195.11652	10.6
201.12712	5.8
203.10643	2.1
203.14357	3.9
213.12743	88.9
214.13058	3.3
219.13647	1.8
231.13797	100.0
232.14178	6.5
249.14871	23.1
314.53229	1.5
318.70581	1.4
393.18936	1.6
428.21646	3.3
429.21326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.6
57.03432	9.8
57.06822	2.6
57.07081	44.9
67.05498	12.5
69.07074	8.4
70.06573	2.6
71.08630	30.6
74.27664	2.2
79.81805	2.2
81.07058	16.9
83.08610	9.2
85.02904	2.3
85.10188	15.4
87.08149	2.6
88.07639	5.5
88.59915	2.3
89.06033	6.4
95.08601	19.6
97.10175	5.0
98.98470	56.9
98.99099	3.6
109.10157	12.1
119.08595	2.7
121.06529	6.0
123.11687	4.7
133.44443	1.9
137.13202	2.6
155.01044	100.0
165.09125	2.7
173.02164	3.3
181.72748	2.1
201.26079	2.1
212.61694	2.2
217.81151	2.0
239.23717	20.5
255.23215	2.9
256.26340	3.4
271.15417	6.6
313.27377	55.3
314.27823	4.2
340.46790	2.1
355.24637	5.7
363.62952	2.3
392.07471	2.1
393.23950	43.0
428.41110	7.0
429.32227	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	428.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.7
57.03434	9.0
57.07077	41.9
59.57742	1.7
67.05521	10.3
69.07071	8.9
69.41330	8.5
71.08627	26.7
81.07063	15.6
83.08616	11.4
85.10176	19.3
95.08597	20.1
97.10159	4.4
98.23429	3.0
98.98471	62.6
105.16258	1.7
109.10143	11.0
123.11662	4.2
137.90417	2.3
151.62085	1.8
155.01035	100.0
173.02069	4.4
182.85602	2.0
239.23657	18.8
245.20515	2.3
270.43622	1.9
283.02948	1.9
313.27338	37.1
314.27634	2.7
393.24042	32.9
394.24240	2.5
429.22476	12.9
429.31403	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	428.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	47.2
64.30327	2.1
69.12589	11.3
70.06591	2.8
71.08638	3.9
73.02917	79.8
85.02905	1.9
87.04470	2.5
88.07616	2.0
88.22115	1.6
88.81660	1.6
89.06035	22.0
91.05494	3.7
93.07044	12.3
95.04974	4.1
95.08627	1.9
98.22684	3.7
102.09218	2.5
103.76336	2.0
106.16529	2.0
107.39325	1.8
121.06508	42.0
125.52551	1.7
129.36725	1.7
133.08604	8.2
147.08066	3.7
152.65872	1.8
165.09123	21.5
177.11241	4.0
183.10182	2.3
199.17062	2.7
200.20018	2.5
205.10695	2.6
209.11719	6.8
228.23222	2.4
233.19148	3.7
255.23187	4.1
271.15381	100.0
272.15677	3.9
277.21643	4.4
285.40045	2.4
299.14902	14.3
304.96622	2.1
428.24838	2.0
428.30258	9.0
428.35605	2.5
428.41055	16.6
429.31735	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	428.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22677	3.0
57.07082	4.6
57.14149	3.5
69.07077	6.7
69.38608	9.6
69.39006	5.2
78.33167	3.3
81.07053	3.8
87.04403	3.5
95.08622	3.3
119.04918	3.6
124.05225	3.7
137.06003	7.9
139.07526	30.3
151.07608	5.1
153.05521	6.7
157.05429	3.4
167.07033	100.0
178.01219	3.1
183.06528	16.3
183.19324	3.6
184.09511	4.0
186.64275	3.5
188.66866	3.3
207.10278	6.2
246.31042	3.5
249.18211	3.9
258.69907	3.9
299.37036	4.0
301.21835	3.6
315.23178	17.0
333.24258	62.8
361.19342	3.4
369.20276	18.8
387.21506	29.2
429.12653	3.7
429.22049	25.2
429.26233	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.2
57.07077	3.3
67.05496	4.6
69.07054	8.2
69.45702	3.5
69.46098	8.2
70.06567	3.2
81.07047	7.9
83.08605	2.7
93.07043	2.7
95.08591	5.8
98.23086	10.8
104.99240	2.9
109.10185	3.9
121.06488	3.0
124.05226	3.5
127.28053	2.9
129.07034	3.5
137.05948	10.6
139.07542	47.5
143.08537	4.9
151.07495	10.1
152.04668	4.5
153.05467	9.9
155.07057	6.1
161.09615	4.6
167.07030	99.0
168.04160	3.6
168.07361	4.1
174.06738	4.8
175.07571	7.5
175.11243	4.1
177.09084	7.6
183.06503	39.3
184.87985	2.8
189.09111	9.7
191.10699	10.2
193.08652	4.3
203.10666	7.4
207.10110	15.0
217.12151	5.1
225.07600	5.6
256.26251	3.0
275.10089	2.5
277.30765	2.8
283.20486	3.4
287.23682	8.6
301.21594	4.7
305.24771	5.5
315.23141	38.1
333.24219	100.0
334.24408	6.6
428.24716	8.5
428.37024	3.3
429.26099	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	429.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	34.5
64.56940	1.2
66.81946	1.2
73.04752	1.5
78.36118	1.3
83.68889	1.2
84.96032	12.1
91.05795	4.5
97.02964	1.2
98.97581	100.0
102.97101	1.4
108.68030	1.2
110.97570	29.1
112.99100	6.8
116.98624	42.6
116.99406	2.8
124.99114	2.6
128.98601	32.0
131.00134	7.1
134.99644	11.1
137.22429	1.4
140.98582	3.6
143.00151	11.8
144.98035	2.9
146.99629	17.2
148.74646	1.3
149.01241	1.9
152.98582	2.4
158.99646	11.6
161.01218	22.2
162.99181	1.9
165.00821	1.2
165.99419	4.7
170.99590	7.0
174.99196	2.1
177.00708	11.9
179.02290	5.7
181.01668	1.5
182.99683	1.4
184.00453	2.6
185.01256	1.5
189.00681	7.2
194.99667	3.0
201.00694	11.6
206.99699	1.6
207.01753	1.8
213.00723	3.4
219.01770	49.8
220.02077	1.9
225.00717	4.5
227.99423	2.6
237.02811	64.9
238.03291	1.4
241.03864	1.8
243.01773	39.0
244.01994	1.5
244.89558	1.3
246.00529	2.4
255.03827	2.8
261.02811	30.6
267.01794	6.0
279.03876	2.9
285.02850	10.7
297.02725	3.1
309.02829	5.8
311.04428	3.8
315.04300	1.5
321.02777	9.1
325.02380	1.8
327.03220	3.3
329.05484	1.6
339.03906	2.1
345.91757	1.4
351.03937	4.7
369.04913	44.5
370.05258	3.1
387.05984	68.1
388.06207	3.0
410.07394	2.6
429.06931	39.2
429.13092	9.2
429.20740	16.1
430.07071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28434	0.4
59.63063	0.4
60.34800	0.4
61.58601	0.4
66.11786	0.4
69.03430	0.6
69.25866	1.3
69.26290	1.5
71.74520	0.4
81.07060	0.7
84.46757	0.5
85.02901	0.8
87.04462	0.7
91.05477	2.7
109.10102	0.5
110.86604	0.4
113.73180	0.4
123.04415	0.8
131.08539	0.7
139.03902	0.7
157.79829	0.4
162.31578	0.4
165.05510	0.5
176.00847	0.7
185.04204	4.5
220.54573	0.6
233.15285	0.7
266.05368	2.1
267.06198	4.5
390.99661	0.5
429.11554	100.0
430.11887	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	429.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33860	2.9
57.32085	3.0
57.85279	2.6
59.49208	2.7
68.24639	3.0
69.07063	11.7
70.07375	3.9
70.35754	4.6
70.36068	3.4
78.05012	3.6
81.40089	3.5
84.15210	2.7
89.54839	3.4
91.05825	3.1
97.06531	3.4
98.97610	4.2
110.06362	3.4
143.07053	7.2
144.07303	6.0
149.05864	3.0
161.08118	5.9
217.10715	11.8
218.11124	21.1
219.01817	3.9
224.26332	2.9
245.06322	3.5
378.97205	3.3
394.56845	3.1
411.20203	4.0
429.11890	100.0
429.16666	15.1
429.21606	92.0
430.11945	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	429.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94539	3.0
54.74393	3.0
56.96577	9.5
57.48501	3.2
70.54848	6.6
73.04755	4.8
85.87048	3.3
91.05784	9.5
98.97578	20.8
107.22821	3.7
116.98627	10.6
128.98650	4.2
137.34619	3.5
161.01337	4.1
201.00818	3.3
237.02744	5.6
325.02188	5.6
327.02890	6.7
359.02863	8.1
369.05066	7.9
387.05722	5.1
429.12000	72.2
429.20981	100.0
430.12271	5.2
430.21573	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	429.137
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32242	0.5
69.04481	0.5
70.06593	0.7
71.44340	0.6
73.04787	0.6
78.11346	0.5
91.05817	0.8
95.01087	0.8
96.01907	0.5
98.97589	3.4
100.97189	0.8
112.01385	0.9
113.02154	1.9
116.98632	1.4
162.67894	0.5
177.01662	0.9
181.04922	0.7
185.04234	3.0
188.04671	0.6
192.03937	8.8
193.04602	0.5
201.03712	1.2
203.05243	1.1
204.50706	0.5
220.11282	0.5
235.05910	1.3
259.08005	2.3
267.08408	0.5
275.05634	0.5
309.01498	0.5
325.02106	0.7
327.02802	1.6
359.02853	0.7
398.11816	1.6
399.12564	0.9
411.20032	2.1
429.13644	100.0
429.20825	28.5
430.13971	5.7
430.20837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78307	0.3
53.03941	0.5
54.87411	0.3
55.01857	0.3
55.05258	0.5
55.05510	8.4
57.03440	0.7
59.04998	1.2
65.29775	0.2
67.05483	0.3
69.03426	0.9
69.07066	0.4
70.06595	0.5
71.04636	0.3
73.02884	0.4
77.55807	0.3
79.05470	0.7
81.03403	0.4
81.07052	0.5
83.04978	35.1
84.05316	0.6
85.02898	4.2
86.09721	0.4
91.05466	0.6
91.87688	0.3
93.03367	0.3
93.07079	0.3
95.04981	0.4
97.02893	0.7
97.06519	0.5
100.04471	0.3
101.06003	0.3
103.03917	1.3
103.05459	0.6
105.03400	0.3
105.06996	0.7
107.04929	0.5
109.02884	0.4
109.20645	0.2
110.03703	0.3
111.33307	0.3
119.04930	0.6
121.02859	1.8
121.06480	0.4
122.63619	0.3
123.25494	0.2
125.05959	0.5
127.03908	0.5
131.04913	0.9
132.45871	0.3
133.02843	2.0
133.04967	0.3
133.10118	0.4
134.93808	0.2
135.06599	0.3
137.02342	0.4
138.03116	1.3
140.03287	0.3
141.05815	0.3
143.07028	1.1
147.04399	1.0
147.11670	0.3
149.02338	2.4
149.05989	0.3
150.03123	5.6
151.03922	1.2
153.05496	1.4
159.04428	1.8
161.05875	0.3
162.03122	0.9
163.03886	0.8
165.05457	1.2
166.02594	1.2
167.06999	0.4
171.04366	0.5
175.03964	1.8
176.04663	0.9
177.01823	10.2
177.05420	1.2
178.02451	0.8
179.03384	1.1
179.07059	0.4
181.04948	6.8
181.99908	0.2
185.08002	0.7
187.03879	1.6
190.02553	0.5
191.03381	4.2
191.06964	0.5
192.04059	0.5
193.04944	1.3
194.02090	10.3
195.02844	1.5
197.04498	1.6
199.03894	0.8
201.05495	0.8
203.03398	0.4
204.04167	1.4
205.04967	4.1
207.02843	0.4
207.06548	0.9
209.04442	100.0
210.04756	4.0
211.02289	0.3
215.03366	1.1
215.10388	0.3
216.04085	0.6
218.02081	0.3
219.02831	0.7
219.06526	2.1
221.04387	2.0
223.05978	1.0
229.04897	0.6
231.02779	0.3
232.03729	0.7
233.04437	3.8
235.05977	0.5
243.02820	0.8
245.04358	0.5
247.06000	2.9
249.03966	0.3
249.18451	0.3
251.05487	8.1
252.05659	0.3
257.04468	0.9
260.03146	1.1
263.05493	2.6
266.13824	0.3
267.12006	1.2
267.16006	0.3
275.05496	5.1
293.06503	5.4
308.29733	0.3
310.36633	0.3
311.07562	1.8
329.08691	0.4
331.04568	0.3
371.16586	0.6
411.19952	0.4
429.16910	5.0
429.20682	9.6
430.20920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1735
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
54.47084	0.7
60.47372	0.7
61.02935	0.7
69.03418	1.5
69.07047	0.7
70.06561	0.8
71.05005	0.7
77.16833	0.6
79.77775	0.6
81.03377	1.8
81.07032	1.5
83.04972	1.1
84.84140	0.5
85.02887	1.5
86.58851	0.7
93.06990	0.8
95.04950	1.2
95.22417	0.7
97.02867	0.9
105.07013	1.6
107.08578	1.1
109.02856	0.7
111.04451	0.7
119.08546	1.5
121.10159	3.9
127.03857	0.8
135.11646	1.2
145.04930	0.7
145.10118	1.5
163.11191	3.2
166.02582	0.7
181.04915	2.2
181.12146	2.3
193.12292	0.7
209.04384	2.0
211.13350	1.2
267.12033	46.5
268.12222	1.9
328.48477	0.7
339.13882	0.8
341.45218	0.6
355.71051	0.7
367.17297	1.7
369.14911	2.9
411.15671	0.7
429.16992	100.0
430.17490	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47084	0.7
60.47372	0.7
61.02935	0.7
69.03418	1.5
69.07047	0.7
70.06561	0.8
71.05005	0.7
77.16833	0.6
79.77775	0.6
81.03377	1.8
81.07032	1.5
83.04972	1.1
84.84140	0.5
85.02887	1.5
86.58851	0.7
93.06990	0.8
95.04950	1.2
95.22417	0.7
97.02867	0.9
105.07013	1.6
107.08578	1.1
109.02856	0.7
111.04451	0.7
119.08546	1.5
121.10159	3.9
127.03857	0.8
135.11646	1.2
145.04930	0.7
145.10118	1.5
163.11191	3.2
166.02582	0.7
181.04915	2.2
181.12146	2.3
193.12292	0.7
209.04384	2.0
211.13350	1.2
267.12033	46.5
268.12222	1.9
328.48477	0.7
339.13882	0.8
341.45218	0.6
355.71051	0.7
367.17297	1.7
369.14911	2.9
411.15671	0.7
429.16992	100.0
430.17490	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.8
55.93199	7.3
56.96560	10.0
66.78577	6.8
69.07074	11.6
69.44788	36.4
72.08150	10.0
73.06022	7.0
74.36977	7.1
81.07037	8.5
83.40029	6.7
98.23309	23.9
137.06001	11.2
151.07521	20.6
162.05461	10.5
174.37340	7.1
267.25443	7.7
288.31387	8.3
313.20541	26.7
330.24448	43.1
331.21445	16.6
353.09967	8.1
388.14420	9.3
429.20529	37.1
429.25812	15.7
429.31744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.204
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92957	9.7
67.96224	10.8
69.48530	34.8
71.06343	9.2
81.07058	12.9
95.08634	9.0
141.25598	10.1
151.07527	9.8
163.74091	10.2
187.86542	9.4
189.01929	11.8
254.84918	11.0
410.09171	10.6
429.20129	42.8
429.25677	100.0
429.31503	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	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.4
62.16712	0.3
66.66216	0.3
68.57775	0.3
69.91396	1.0
73.04738	0.6
74.25449	0.3
85.02895	0.4
91.05795	0.7
98.97585	0.8
100.97199	0.4
104.07050	0.4
116.98648	0.4
143.03209	0.4
167.05519	0.7
168.05847	0.3
188.91435	0.3
203.05247	1.9
249.07469	0.4
267.08316	0.5
270.42276	0.3
329.63318	0.3
359.02771	0.4
371.16495	0.9
399.04199	0.3
411.20013	3.1
429.13919	6.1
429.20944	100.0
430.14655	0.7
430.21283	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	429.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06630	0.2
50.34311	0.2
54.95536	0.2
69.29038	0.9
70.06585	0.3
78.24828	0.2
107.18772	0.2
116.98573	0.2
123.96785	0.2
124.64648	0.2
203.05270	1.6
249.14693	0.8
267.15723	0.4
371.16769	3.9
411.19815	0.9
429.20984	100.0
430.21338	6.6
430.27133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40899	0.2
59.98145	0.3
60.53098	0.3
66.55271	0.3
69.95402	0.7
85.02915	0.5
97.43867	0.3
98.23402	0.3
127.03944	0.3
135.36536	0.2
203.05249	2.3
221.07867	0.3
249.14743	0.7
263.55728	0.3
283.04724	0.4
371.16840	1.1
429.21014	100.0
430.21350	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	429.21
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
52.65379	0.4
67.05511	0.7
69.03430	0.7
69.07080	0.4
69.34585	2.0
79.05518	0.6
79.64474	0.4
81.03424	1.0
81.07063	0.9
85.02904	1.0
93.07052	0.6
95.04990	0.8
95.08646	0.6
95.90804	0.4
98.97556	0.4
99.04470	0.6
105.07044	0.9
107.08643	0.8
109.10181	1.1
109.49339	0.4
123.08095	0.6
127.03891	0.5
131.08516	0.5
137.05971	0.4
139.03946	0.5
140.40668	0.4
155.12770	0.4
163.13329	0.8
165.05559	0.5
169.10182	0.5
181.05042	0.4
203.05307	2.1
215.14360	0.5
233.15489	0.6
249.14664	3.7
251.16425	0.8
267.15674	2.3
429.21011	100.0
430.21365	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2099
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03926	0.9
55.05510	1.8
57.03431	1.1
61.02927	3.0
67.05502	2.6
68.30598	0.6
69.03430	2.5
69.61685	2.5
73.02908	1.0
79.05496	2.4
81.03417	9.4
81.07063	2.2
83.04981	0.8
83.08629	2.2
85.02910	3.3
91.03971	1.8
91.05494	3.1
93.07061	1.9
95.04975	6.9
95.08608	0.9
97.02891	4.0
97.10162	0.7
99.37155	0.7
105.07055	1.9
107.04960	1.3
107.08602	1.9
109.02906	1.9
109.06548	0.9
111.04491	0.9
111.08076	1.1
115.05574	0.7
117.07067	0.8
119.08614	1.6
121.06520	1.2
121.10146	1.4
123.04491	2.9
125.09690	0.9
127.03971	2.3
129.07060	0.9
131.08585	1.5
133.10210	0.8
139.03896	0.8
145.10172	2.5
147.08054	0.9
147.11717	1.0
157.10143	1.5
161.06033	0.6
163.11212	1.5
164.13872	0.8
175.11212	0.8
177.05563	0.8
177.27675	0.8
189.05473	0.7
189.12910	0.8
191.10741	0.7
193.12212	3.8
203.05359	2.4
211.13348	3.0
235.13228	4.2
249.14590	3.4
259.13382	1.5
267.15826	5.9
273.14801	1.6
301.14383	2.0
309.17111	2.3
363.17401	0.7
375.18161	1.4
385.18164	1.1
393.19113	1.4
411.20273	1.4
429.21130	100.0
430.21143	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	429.2253
Annotation	CAY10594
Peak:m/z	Relative Intensity
56.31040	0.4
69.37392	2.5
78.48359	0.4
81.07050	0.5
82.03344	0.4
82.19411	0.4
83.08621	0.5
98.22862	1.4
98.23476	0.8
104.22154	0.5
155.87627	0.5
193.04979	0.5
225.27962	0.4
284.84988	0.4
369.20343	13.4
370.20572	0.8
371.18253	1.4
387.21378	17.8
388.21609	1.7
389.16098	0.4
429.22470	100.0
430.22876	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.225
Annotation	CAY10594
Peak:m/z	Relative Intensity
57.07074	0.7
69.40282	2.2
79.58073	0.4
82.31741	0.4
95.08595	0.5
105.61379	0.5
133.07997	0.4
144.99356	0.4
151.07545	1.6
155.01044	0.8
225.96796	0.4
232.96922	0.5
291.15292	0.4
314.27600	0.5
356.84113	0.5
365.12628	1.2
366.12369	1.4
383.13721	1.3
384.13568	1.5
387.21365	3.5
388.14166	0.8
389.14026	0.7
394.24579	0.5
429.22461	100.0
429.31927	4.3
430.22800	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	429.2404
Annotation	Aspidoalbine
Peak:m/z	Relative Intensity
57.07071	10.6
67.05490	13.4
69.19705	58.8
81.07050	11.7
93.07052	10.6
95.08584	18.3
98.22762	17.2
105.07012	12.8
151.07555	17.3
155.01085	11.6
174.00214	9.2
197.08089	30.4
408.73099	9.5
415.77914	9.1
429.23987	100.0
429.31778	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2615
Annotation	Graviphane
Peak:m/z	Relative Intensity
50.11441	0.3
55.05510	0.5
64.97083	0.4
67.05486	0.6
69.07056	0.7
69.61081	0.8
69.61462	0.7
77.45135	0.3
81.07061	0.6
86.16051	0.4
98.23320	0.9
123.11668	0.4
129.76990	0.3
153.05426	0.4
304.17987	0.4
317.59818	0.4
336.26422	0.4
359.02881	0.5
369.23962	1.2
381.48154	0.5
387.21405	2.1
407.17130	0.5
429.20831	5.9
429.26120	100.0
430.26440	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	429.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17126	0.2
62.26313	0.2
69.45004	0.7
69.45404	0.6
70.94275	0.3
81.07035	0.3
98.22823	0.8
98.23513	0.5
98.98441	0.4
151.07539	0.9
194.95770	0.3
195.95645	0.6
206.95770	0.5
207.95703	0.4
213.96645	0.4
224.96797	0.3
225.96814	0.3
239.73102	0.2
242.97981	0.2
243.97670	0.3
314.27606	0.3
347.11261	0.3
365.12531	1.3
366.12326	1.8
383.13455	1.2
384.13358	0.8
389.14008	0.8
429.31830	100.0
430.32202	8.1
433.55850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.9
57.07075	21.3
67.05471	11.0
69.07069	100.0
81.07063	19.3
83.08622	34.0
84.29621	9.6
93.07054	27.7
95.08594	18.5
105.07020	14.3
107.08603	14.1
119.08558	12.5
121.10146	12.3
125.13268	13.7
128.77922	10.4
135.11732	10.9
145.10236	12.9
147.11691	11.9
151.53279	10.6
237.26939	11.6
411.32452	22.6
429.31299	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	429.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
57.07075	1.3
65.03960	0.7
67.05502	5.9
69.03432	0.8
69.07067	4.8
69.26631	2.4
69.27045	1.6
71.04990	2.2
79.05484	1.8
81.07058	10.1
83.01320	1.4
83.04972	1.0
83.08618	2.3
84.02396	0.6
91.05468	3.0
93.07065	3.3
95.04967	0.8
95.08601	14.3
95.11267	0.6
97.10154	2.0
99.08107	1.3
105.07034	3.3
107.08619	2.2
109.10162	6.0
111.04445	4.0
117.07053	1.1
119.08607	1.6
121.06512	1.9
121.10142	2.6
123.08060	10.2
123.11697	3.6
125.82543	0.7
130.07835	0.6
131.08562	4.6
135.08044	15.8
135.11674	0.9
137.06024	0.9
137.13245	2.0
145.10110	2.9
147.07976	0.7
149.09598	10.0
149.13258	1.0
150.75436	0.7
151.07536	100.0
152.07845	2.0
158.07333	1.0
159.08064	4.2
159.11720	1.1
161.09644	1.8
162.06778	3.4
163.07498	3.1
163.11162	5.6
165.09120	2.7
172.08859	1.0
173.09645	4.5
175.07587	1.0
176.08311	4.6
177.09102	53.9
178.09412	2.4
187.11192	2.8
189.09134	0.9
190.09840	2.1
191.10661	76.5
192.10983	3.0
201.12714	1.1
202.09798	0.7
205.12236	39.5
206.12581	2.0
219.13826	4.2
338.28503	0.7
388.14175	1.2
389.14063	1.2
401.30316	7.5
402.30701	0.8
411.32449	1.6
429.16690	1.4
429.26190	1.6
429.33658	16.5
430.16989	0.8
430.34174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01865	1.1
56.96769	0.4
57.03420	0.8
59.04984	0.7
61.02909	0.8
62.06090	17.1
63.50574	0.4
65.03942	1.8
67.05492	0.7
68.99795	0.4
69.03422	4.1
71.04977	0.9
73.02915	0.9
79.05491	0.9
80.27062	0.4
81.03427	3.5
81.07050	0.7
83.04961	1.4
85.02902	9.4
87.00811	2.3
91.03945	0.6
91.05465	2.3
93.07043	1.6
95.08596	0.6
97.02883	3.1
99.04459	1.5
101.47759	0.4
105.01835	1.4
105.07039	2.5
107.04933	1.3
107.08583	1.1
109.02885	2.8
109.06478	0.5
109.10149	0.7
117.07006	1.8
119.08577	2.2
121.02862	100.0
122.03210	2.2
127.03912	3.6
128.06281	0.5
129.07010	1.8
129.87822	0.4
131.08568	5.9
133.10085	1.4
135.08043	1.7
137.05968	0.5
141.06956	0.6
142.07800	1.6
143.08557	2.4
145.04961	2.3
145.10124	4.8
147.08057	0.9
147.11684	0.5
147.85966	0.4
151.19337	0.4
155.08574	2.0
156.09415	0.7
157.10109	5.2
158.07271	0.5
159.02898	1.9
159.08054	3.0
161.09602	6.7
163.07573	0.6
164.07031	2.6
165.05457	1.4
169.10124	0.8
171.11685	1.0
173.09590	4.4
173.13249	3.1
175.11174	5.8
177.09140	2.2
180.08719	0.5
182.08127	99.7
183.08466	3.2
185.13246	1.7
187.11208	1.2
187.14828	2.1
189.12755	1.1
191.10550	0.4
197.13243	2.7
200.11914	0.7
203.14342	1.9
215.14307	15.4
233.15367	15.8
251.09451	0.6
345.98431	0.5
377.19351	0.6
387.16397	0.8
430.15433	0.6
430.21234	2.3
431.15057	2.9
431.22726	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	430.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78044	1.1
55.93507	2.0
57.07050	1.1
70.06583	4.7
71.37979	1.6
72.93787	3.9
81.03432	1.1
81.07047	2.1
90.94829	2.6
95.08584	1.8
106.11966	1.2
112.07611	1.7
128.96306	1.8
139.49272	1.3
140.33507	1.3
149.94643	1.1
152.96266	1.4
154.97942	1.7
166.97847	1.6
170.97495	1.4
171.41020	1.2
180.95859	1.5
184.98843	1.7
194.97412	3.0
197.96080	2.2
198.96912	2.9
200.84721	1.3
202.47079	1.0
210.96886	6.9
211.93973	2.1
212.98378	3.0
214.96367	1.4
215.97124	1.3
216.97951	3.7
222.96922	6.7
228.97937	2.8
230.99460	1.2
236.98334	2.2
238.96327	1.5
239.93439	1.4
240.97963	2.8
253.95087	1.8
254.95924	1.3
263.99899	1.2
279.03137	1.2
315.62360	1.2
316.27502	1.0
322.80536	1.2
331.06226	3.2
335.05490	1.7
359.13171	1.6
361.14633	3.7
387.12372	4.3
389.14111	100.0
390.14365	5.1
407.15475	7.8
429.31503	2.3
430.16757	19.1
430.32101	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85172	1.1
55.93534	1.8
58.03192	1.1
62.98434	1.1
72.93783	3.3
82.99483	1.4
90.94805	1.4
103.34174	1.1
113.91452	1.1
114.02784	1.1
126.98398	1.1
128.00223	1.0
138.98450	2.1
166.97932	1.6
182.97351	1.4
194.97432	2.1
210.96872	6.7
222.94972	1.7
222.96872	9.3
224.98575	1.8
226.96410	2.2
228.97969	5.2
236.98439	1.7
238.96367	2.0
240.97931	8.2
252.97688	1.5
253.95168	4.5
258.99103	3.7
279.03461	1.3
323.53088	1.2
335.05872	2.1
345.07672	1.3
346.08444	1.5
349.07248	3.2
372.08963	1.5
387.12469	11.7
389.14130	100.0
390.14484	6.9
405.13995	2.2
407.15259	16.2
429.31967	3.9
430.16748	22.5
430.32263	2.2
431.18423	2.4
431.24039	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	430.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01873	1.5
57.03438	4.6
61.02934	8.9
69.03432	14.4
69.05975	0.9
69.19895	6.5
71.04988	2.3
73.02919	2.9
81.03024	0.9
81.03397	4.7
85.02908	100.0
85.06539	12.3
87.04469	1.9
91.03949	6.1
97.02897	23.4
98.97564	1.7
99.04471	3.5
109.02875	7.4
113.38525	0.8
116.98660	1.3
119.08572	1.2
123.04423	5.6
127.03911	23.2
143.08609	1.6
145.04965	56.0
157.70815	1.0
161.05981	1.0
162.06288	1.2
163.06027	28.3
164.08292	1.1
182.02715	4.9
185.13239	1.5
193.08730	1.1
194.08882	1.5
215.10719	1.5
215.14299	2.0
221.12915	1.5
233.15364	3.0
251.12691	2.3
251.14957	1.8
319.22842	1.2
325.11212	1.6
373.74115	1.1
430.21777	5.5
431.18982	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	430.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.4
57.07074	84.9
58.24034	1.3
58.44108	1.1
67.05495	1.9
67.23602	1.3
69.07072	6.9
69.74574	4.1
71.05011	1.3
71.08624	2.3
79.05476	2.4
81.07043	4.7
83.08601	3.9
87.04461	3.5
89.06027	77.6
91.05480	11.8
93.07043	17.8
94.91937	1.1
95.04965	5.4
95.08644	2.8
97.10161	3.0
99.11078	1.3
99.11713	2.2
102.55416	1.2
103.05466	2.6
105.04500	2.3
105.07005	4.8
106.07354	1.7
107.04975	1.6
107.08570	6.4
109.10118	1.9
111.11695	2.6
117.07032	2.1
118.07777	2.4
119.04969	3.5
119.08584	8.8
120.08872	2.0
121.06499	62.2
121.10126	4.4
122.06850	1.8
123.11688	1.9
130.08624	1.9
131.08505	2.4
133.08595	47.0
133.10144	4.2
135.08034	4.9
135.11664	4.7
145.10149	2.4
147.08008	10.2
147.11649	3.6
148.12012	2.5
149.09657	3.3
150.06766	2.3
159.11647	1.5
161.13283	3.3
162.13565	2.4
163.11174	4.4
165.09099	26.6
166.09502	1.5
177.11214	7.3
189.12758	2.4
189.16344	3.4
190.13145	1.5
190.16705	2.7
207.17401	2.6
208.17790	2.5
209.11691	14.3
219.17400	12.5
227.12740	5.2
249.25717	1.9
263.20029	15.0
271.15378	4.2
283.50073	1.5
306.01782	1.5
307.22623	4.1
315.18011	100.0
316.18274	4.6
349.28677	2.0
394.32101	2.4
412.32736	5.3
413.28976	40.3
414.29303	3.7
430.33981	15.5
431.23483	2.4
431.34418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
55.93554	0.2
57.66968	0.2
67.05507	0.2
68.05043	0.4
69.07076	0.2
70.06593	100.0
71.06924	1.3
71.45057	0.2
79.03092	0.2
80.52980	0.2
83.08620	0.3
95.04967	0.3
95.78909	0.2
98.23057	0.2
104.14465	0.2
110.15069	0.2
112.07606	47.0
113.07898	1.0
119.70203	0.2
137.06000	0.5
149.05971	0.3
152.96338	0.3
154.97870	0.2
163.07562	0.3
175.07542	1.0
177.09062	1.0
194.97281	0.4
197.96152	0.4
210.96889	0.6
215.67078	0.2
216.97919	0.2
222.96819	0.3
228.97871	0.2
238.96025	0.2
318.80881	0.2
355.10199	0.2
361.14615	0.3
371.29242	0.5
375.95929	0.2
387.12524	0.4
389.14099	7.3
390.14178	0.9
407.15057	0.6
430.16693	1.4
430.33139	4.4
431.33530	0.6
440.26144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27320	2.0
69.12842	8.9
69.13248	4.9
72.89302	2.2
77.03689	1.9
95.08574	4.4
103.17231	2.4
105.07055	2.1
122.07294	3.1
123.08069	2.5
128.04498	2.0
150.06769	15.1
151.07538	65.9
152.08130	5.1
164.08215	2.5
167.07135	2.4
169.97498	2.2
177.09119	3.5
191.10640	16.0
291.23187	2.3
309.43442	2.5
430.34415	100.0
431.34827	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	431.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	29.1
64.15919	1.2
69.59625	2.7
69.60015	3.1
77.06840	1.1
84.96033	13.6
98.22755	2.4
98.97578	72.0
102.96953	1.9
110.50114	1.3
110.97568	35.4
112.99136	5.8
116.98622	21.1
124.99081	1.6
127.03893	3.5
128.98604	28.1
128.99515	2.3
131.00185	4.7
134.99648	3.7
139.03912	1.4
140.98595	4.4
143.00159	7.5
144.98097	3.3
146.99620	9.6
151.00677	3.6
155.00270	2.0
156.03357	1.7
158.99648	7.1
160.99138	3.5
161.01224	6.4
167.00322	1.6
168.03368	2.2
169.01794	2.8
170.99635	9.0
174.04401	1.6
177.00768	4.6
179.00162	12.0
179.03432	2.3
181.01727	4.0
186.04399	9.5
189.00662	7.4
194.99738	6.7
195.01498	1.4
197.01212	16.9
198.99118	2.7
199.02812	5.7
201.00694	8.7
204.05501	5.3
208.97455	1.5
209.01204	6.3
211.82881	1.4
213.00700	10.8
214.01138	1.1
215.02296	6.7
217.00183	3.1
219.01761	64.1
221.01260	2.2
222.99101	2.3
226.98621	4.6
227.02254	12.9
229.00142	2.5
231.01808	3.7
234.10246	1.3
236.51903	1.3
237.02814	82.5
238.03308	1.6
239.02330	2.5
241.00186	4.7
241.03851	1.4
244.99657	1.7
245.00710	1.8
245.03317	28.5
247.01205	15.5
251.02255	1.6
253.03725	1.7
255.03859	4.1
259.01285	4.0
263.04480	5.0
265.02246	23.0
269.03204	2.8
271.05045	1.5
274.97668	1.8
281.03394	2.1
284.04425	3.1
287.00662	3.3
287.05121	1.4
293.03342	2.7
295.04868	1.5
299.04370	1.9
302.05402	8.2
305.03381	2.1
306.92572	1.4
311.00836	2.7
311.04547	2.5
313.05817	11.1
323.00742	2.5
323.04355	21.5
329.01843	9.3
331.06802	1.7
341.01712	2.4
341.05386	31.7
353.05453	1.4
358.00607	1.3
359.06586	7.7
371.06491	60.8
372.06863	2.8
389.07550	100.0
390.07779	4.4
412.09152	1.7
430.96597	1.4
431.02982	1.6
431.08615	29.5
432.08978	2.3
439.74384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	29.0
60.95855	1.0
62.10914	1.0
63.58448	0.9
70.32110	1.0
83.79932	0.9
84.96033	9.3
86.70965	0.9
97.12508	1.1
98.97585	100.0
102.96968	1.4
109.85194	0.9
110.97575	43.7
112.99116	6.9
116.98627	41.3
120.08075	1.6
124.99117	2.1
126.97049	1.2
127.03918	3.4
128.98610	46.1
131.00162	6.2
134.99660	12.4
135.43163	1.0
136.06177	1.3
137.02408	1.5
139.03899	1.2
140.98615	2.8
143.00163	6.6
144.98154	2.6
146.99667	17.2
149.01224	3.0
158.01151	1.1
158.99658	7.7
161.01192	6.6
162.99165	1.5
165.00742	1.7
168.98097	3.1
170.99669	7.6
177.00662	7.6
186.99226	2.4
189.00787	5.2
193.98923	3.1
201.00674	6.1
211.99919	16.4
212.85480	1.0
213.00807	1.4
214.98592	2.9
219.01773	50.7
220.02039	1.1
227.02234	2.4
229.00157	1.8
230.00993	64.0
231.01561	2.2
237.02818	76.6
238.03197	1.5
239.99411	2.1
241.00125	3.8
241.03967	1.2
242.03400	1.7
243.02020	1.2
245.03322	14.9
248.02025	17.7
249.02292	1.2
254.00986	1.1
255.01733	2.1
255.03989	5.7
259.01251	10.2
260.04602	1.8
261.03098	1.1
263.04471	3.0
267.01776	3.6
268.99677	3.0
269.03342	10.8
272.02032	3.9
273.02899	2.0
274.97565	3.5
281.03250	5.3
283.04865	2.5
285.02927	4.0
287.04333	18.0
290.00958	3.5
292.99179	1.0
293.03464	1.8
299.01276	1.6
299.04352	7.9
308.01987	4.5
311.04288	8.9
317.05472	1.6
323.04321	5.2
329.01804	1.7
329.05429	4.2
339.03867	2.2
341.05484	2.9
356.04001	7.9
371.06473	22.2
374.05334	5.4
389.07587	60.1
390.08041	1.6
407.08701	5.4
412.09216	2.0
431.08615	65.1
432.09052	3.3
449.09677	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	431.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85377	2.3
56.96567	18.5
84.96011	8.3
85.53535	1.7
89.34859	1.8
98.18449	1.7
98.97585	77.6
102.96848	2.7
110.97565	36.6
112.99100	4.2
116.97907	2.1
116.98621	25.9
120.97868	2.8
128.97760	2.9
128.98615	39.7
129.62737	1.8
131.00130	6.4
134.99632	8.7
140.98569	2.1
143.00192	2.9
144.98041	2.4
146.99660	17.5
149.01248	2.7
149.96162	1.8
152.98592	2.0
158.99586	5.4
161.01231	2.1
170.99638	7.9
177.00606	4.9
186.99132	2.0
189.00702	8.3
194.99684	2.4
195.01717	2.4
201.00705	5.8
211.99858	12.0
212.01561	1.7
213.00620	2.2
214.98633	2.1
218.99638	3.2
219.01761	66.2
220.02016	2.0
230.00952	43.1
237.02806	100.0
241.00076	4.4
245.03392	11.8
248.02112	11.7
255.03909	4.0
259.01132	7.3
261.02673	4.0
263.04434	3.3
269.03314	5.1
279.03693	2.3
287.04407	8.9
290.00970	6.2
299.04184	4.1
301.05701	2.2
308.02029	13.5
311.04309	3.4
313.05850	2.6
323.04465	9.7
353.05246	3.9
356.03979	7.8
357.04733	3.3
371.01886	3.4
371.06433	59.0
372.06705	3.6
374.04968	4.4
389.07516	59.7
430.20657	3.7
431.08426	73.4
432.08560	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	431.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	28.7
69.37888	0.9
71.44299	1.1
73.58487	0.8
81.07071	1.9
84.96031	4.1
85.02908	1.8
89.55348	1.0
93.07046	2.9
93.37115	1.0
95.08595	1.3
97.02876	1.2
98.97580	43.9
105.07008	2.4
107.08586	2.5
110.97562	23.3
112.99143	3.4
115.00681	9.3
116.98623	14.7
119.08565	3.0
124.99116	2.7
126.97028	1.3
127.00684	2.4
128.98598	21.7
129.02234	4.4
131.00153	2.8
133.01707	3.4
133.10074	1.2
134.99664	2.9
135.08081	1.4
135.11685	1.4
140.98558	1.5
143.00185	4.1
144.98071	2.4
145.01788	1.2
145.10107	1.9
146.99658	8.1
147.03288	1.5
149.09630	1.7
152.00174	1.2
152.98598	1.1
157.10181	1.5
158.99687	3.4
159.03293	5.1
159.11699	2.2
161.01198	2.7
163.07510	1.7
163.11183	1.6
165.10243	3.5
169.05373	3.7
170.99693	6.2
175.17703	1.1
177.00699	2.3
185.04955	1.2
187.06392	4.5
189.00706	3.7
189.09041	1.1
199.06401	3.7
201.00708	3.8
205.07518	1.3
209.08424	2.3
215.14294	1.3
217.15869	1.9
219.01753	40.4
220.02161	1.3
227.09514	19.7
227.50275	1.2
233.15402	1.1
235.16902	1.2
237.02795	44.3
238.03143	1.4
242.03304	1.6
245.10599	31.1
251.09538	4.0
255.03885	2.3
255.09065	4.1
260.04474	2.2
263.11703	1.4
269.10574	16.9
273.10153	3.4
281.10593	13.3
283.12125	3.3
287.11606	7.5
295.12115	2.2
297.10049	1.4
299.11752	5.4
311.11774	6.0
322.13153	1.1
323.11630	2.6
329.12762	2.0
355.10468	1.2
371.13736	77.7
372.14157	4.0
389.14789	100.0
390.15030	5.0
412.16327	3.9
431.15851	61.7
431.20404	2.3
432.16080	3.6
443.19623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24850	1.2
52.38409	1.1
54.40289	1.3
67.05506	2.0
72.93784	7.6
81.07060	1.9
81.98328	1.3
87.94910	1.3
90.94836	4.6
105.07040	1.4
113.00032	5.1
113.96429	1.6
119.08592	3.8
120.42602	1.7
124.96847	3.6
142.97914	2.7
152.96327	7.2
153.09567	1.5
168.95824	2.1
169.02623	6.1
170.97447	3.9
180.95862	2.8
194.97272	1.6
196.95306	21.0
198.96855	5.3
200.64175	1.3
208.95313	22.4
210.96979	4.0
212.94846	2.5
214.96405	14.5
216.97983	4.8
219.96983	2.3
222.96941	4.7
224.94781	7.1
226.96384	21.5
228.98032	1.9
239.93509	2.2
240.94328	4.6
244.97372	14.3
249.98024	5.5
250.29939	1.3
251.00177	1.5
256.97443	1.9
265.01566	1.7
267.99066	2.0
291.00052	1.5
295.02652	1.7
309.04254	2.5
311.05460	1.5
315.05322	3.8
321.04221	1.8
323.05795	2.7
329.06946	4.5
337.07465	3.1
338.08435	1.5
339.08911	2.3
343.08511	4.2
345.07809	3.3
347.09506	11.7
349.10892	16.4
363.08829	3.5
365.10596	6.6
367.12064	100.0
368.12357	5.1
385.13098	85.9
386.13364	4.2
390.13617	33.8
391.13684	2.9
408.14612	14.1
430.26428	4.5
430.31912	2.1
431.16281	6.1
431.26791	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	431.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01871	2.0
55.05506	4.3
57.03415	1.3
58.51375	0.4
61.02907	0.9
68.05028	5.4
68.49628	0.4
68.99792	0.6
69.03430	9.2
69.05795	0.9
69.09802	2.3
70.06583	0.8
71.04975	1.3
73.02902	1.5
81.03416	10.2
81.07033	0.4
84.85767	0.3
85.02902	14.7
87.00825	6.9
87.04451	0.4
91.03929	0.6
93.07030	0.5
95.06088	0.6
96.04517	0.5
96.08131	2.2
97.02888	4.8
98.22704	0.7
98.97588	0.4
99.04454	3.9
105.01861	3.3
105.07037	0.7
109.02869	9.4
117.01823	1.7
119.08570	0.8
122.08376	1.2
123.05540	0.7
123.90286	0.3
127.03910	11.6
129.01810	1.0
131.08545	0.4
133.07608	1.2
137.10735	31.1
138.11081	1.0
140.65750	0.3
141.30051	0.4
145.04967	4.4
147.02893	1.2
151.03340	0.3
157.10146	0.6
159.02882	5.5
159.11684	0.6
161.09575	0.5
165.10229	100.0
166.10606	3.1
183.11285	46.4
184.11606	1.3
205.24115	0.3
206.12851	0.6
208.14053	0.6
213.04005	0.4
217.15883	0.5
231.04930	2.5
233.15436	0.5
234.15854	0.4
235.16942	0.7
239.94374	0.4
246.12094	0.4
431.16650	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	431.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05504	1.4
57.03427	1.0
60.11740	0.6
64.69458	0.7
65.03916	0.8
67.05505	4.9
69.03429	3.3
69.07063	1.5
70.46913	0.9
71.04984	1.5
74.02442	0.7
75.52881	0.7
76.04000	0.7
79.05502	4.1
81.03412	3.4
81.07054	9.1
83.04996	1.9
83.08597	1.1
85.02890	2.8
85.06542	1.1
91.05482	8.2
93.07059	4.4
93.83710	0.7
95.04972	0.8
95.08615	1.6
97.02892	3.2
97.06555	1.4
99.04453	1.3
103.03942	0.9
103.05460	0.8
105.07005	1.1
107.04945	1.8
107.08585	3.9
109.02856	1.6
109.06524	1.2
109.10181	1.1
111.04439	1.3
115.05466	2.2
117.05735	1.1
117.06993	6.0
118.06545	30.4
119.04952	1.4
119.06903	0.8
119.08598	4.1
121.06477	3.9
121.10094	0.8
123.11723	1.5
125.05970	1.2
127.03900	2.5
129.07051	1.0
130.06534	36.8
131.06966	0.8
131.08589	1.9
132.08086	9.4
133.10130	2.6
134.09657	2.2
135.08058	7.2
136.07635	0.8
137.02402	1.1
137.05937	1.8
142.06526	3.6
143.07314	3.6
144.08080	18.1
145.06512	4.5
146.06004	80.7
146.09624	1.8
147.04425	3.4
147.06346	1.8
147.08034	3.5
147.11668	1.3
149.05865	1.2
151.07538	1.5
151.11154	1.5
152.10689	1.4
156.08046	1.8
158.05943	1.1
158.08386	1.2
158.09610	1.2
159.09181	8.3
159.11710	1.5
160.07582	1.9
162.09148	9.3
163.07555	12.2
164.10713	1.9
165.09138	1.1
166.08652	0.8
166.62093	0.9
169.12193	1.0
170.06013	7.5
173.04512	0.8
174.09152	3.2
177.12679	1.7
180.10234	4.9
181.08597	2.1
185.07181	1.2
187.13264	2.8
188.07066	59.3
189.07439	2.0
190.08611	2.3
191.07030	2.4
192.10164	2.7
195.13802	2.0
198.11234	2.9
202.08618	2.8
205.09731	2.7
208.09669	2.9
209.08060	1.7
218.08109	1.7
220.09676	4.0
226.10674	3.6
238.10706	4.3
243.15904	5.5
244.11739	4.4
245.09119	1.3
256.11880	1.0
266.10184	3.2
269.17456	3.6
284.11288	1.7
302.12326	1.8
303.04880	1.5
303.14920	1.5
304.13223	1.0
315.05090	4.3
317.12503	0.8
322.14322	4.0
331.14413	3.2
349.15628	4.1
354.76962	0.9
367.16507	5.8
369.05975	0.8
377.14706	1.2
385.17578	3.1
388.29214	1.0
395.07431	1.9
395.15958	8.6
413.08514	2.3
413.16974	20.4
414.17383	2.5
425.20819	1.0
431.18112	100.0
432.18524	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	431.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70317	1.6
60.06676	1.6
68.81070	1.6
69.13073	1.3
69.48331	6.6
70.06590	100.0
71.06924	8.4
74.35582	1.5
85.97073	1.4
88.18114	1.5
98.22715	3.2
107.69578	1.7
112.07603	39.3
113.04981	1.7
113.07967	7.9
124.13881	1.7
137.80969	1.6
142.98425	1.7
153.95946	1.4
159.35880	1.6
167.07048	1.7
191.73798	1.5
211.21391	1.7
272.20313	1.6
313.55222	1.7
318.79608	1.8
390.14325	4.0
430.33197	2.5
431.33618	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	431.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
57.03426	0.7
59.05007	0.8
62.06106	1.0
67.05485	0.7
69.03442	1.8
72.08160	2.5
78.77785	0.6
79.05479	1.3
81.03419	1.0
81.07072	1.6
83.05033	1.0
85.02905	2.8
86.09723	0.8
91.05479	1.8
93.07059	2.4
95.04988	0.8
97.02907	1.2
97.06535	0.9
101.99498	0.7
105.07038	1.9
105.33367	0.7
107.08591	1.1
109.02884	1.4
109.10155	1.0
115.05480	0.8
121.02869	5.2
121.10194	0.9
122.03210	2.9
127.03983	1.2
131.08577	2.4
133.10164	1.6
135.08046	0.7
139.64407	0.7
145.05042	0.8
145.10135	1.0
149.09645	2.6
151.03926	2.5
159.11743	1.3
163.11200	1.5
169.04950	1.2
177.88013	0.7
182.08179	3.2
183.02940	2.7
183.06796	0.8
183.08495	3.0
183.43297	0.8
186.39842	0.8
191.03470	1.2
197.04480	1.3
203.05339	1.1
203.07106	1.1
205.16119	0.7
209.04510	1.7
209.51700	0.7
221.04550	1.1
231.17070	0.7
233.04474	0.9
233.15376	2.9
251.05556	1.4
251.16277	5.0
253.10756	3.6
269.17258	3.4
270.72940	0.8
291.51346	0.8
293.06635	1.3
311.07379	0.9
329.08658	2.9
402.66147	0.7
431.22958	100.0
432.23544	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	431.2254
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.05515	0.9
57.03426	0.7
59.05007	0.8
62.06106	1.0
67.05485	0.7
69.03442	1.8
72.08160	2.5
78.77785	0.6
79.05479	1.3
81.03419	1.0
81.07072	1.6
83.05033	1.0
85.02905	2.8
86.09723	0.8
91.05479	1.8
93.07059	2.4
95.04988	0.8
97.02907	1.2
97.06535	0.9
101.99498	0.7
105.07038	1.9
105.33367	0.7
107.08591	1.1
109.02884	1.4
109.10155	1.0
115.05480	0.8
121.02869	5.2
121.10194	0.9
122.03210	2.9
127.03983	1.2
131.08577	2.4
133.10164	1.6
135.08046	0.7
139.64407	0.7
145.05042	0.8
145.10135	1.0
149.09645	2.6
151.03926	2.5
159.11743	1.3
163.11200	1.5
169.04950	1.2
177.88013	0.7
182.08179	3.2
183.02940	2.7
183.06796	0.8
183.08495	3.0
183.43297	0.8
186.39842	0.8
191.03470	1.2
197.04480	1.3
203.05339	1.1
203.07106	1.1
205.16119	0.7
209.04510	1.7
209.51700	0.7
221.04550	1.1
231.17070	0.7
233.04474	0.9
233.15376	2.9
251.05556	1.4
251.16277	5.0
253.10756	3.6
269.17258	3.4
270.72940	0.8
291.51346	0.8
293.06635	1.3
311.07379	0.9
329.08658	2.9
402.66147	0.7
431.22958	100.0
432.23544	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	431.2278
Annotation	Celerioside A
Peak:m/z	Relative Intensity
53.03941	1.2
55.01862	0.9
57.03444	1.5
61.02917	2.3
65.03926	1.1
69.03427	9.4
69.03762	1.4
69.07071	2.0
69.26317	5.1
71.05010	1.5
72.88184	0.9
73.02901	1.7
77.58448	0.8
79.05501	0.8
81.03420	3.7
81.07059	2.0
83.04998	0.9
83.08618	1.5
85.02902	24.9
91.03969	1.1
93.07076	1.7
95.08614	1.7
97.02876	6.9
99.04450	1.8
109.02881	3.2
111.04439	3.7
118.72896	0.9
119.08543	1.0
121.02866	3.0
123.04414	1.0
127.03908	6.0
131.08492	0.8
139.03893	100.0
140.04269	1.7
145.04979	2.5
145.10081	0.9
149.05893	0.9
159.11728	1.2
163.07538	1.2
171.53522	0.8
233.15410	2.6
251.16473	8.4
269.11362	1.9
269.17487	8.7
384.51608	0.9
431.17004	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	431.2409
Annotation	Phe Lys His
Peak:m/z	Relative Intensity
55.05523	0.6
57.07063	0.5
69.07077	0.6
71.45241	0.6
95.08634	0.5
98.97540	0.5
107.08599	0.7
119.08585	3.3
135.08025	0.9
137.05992	0.8
163.07523	0.6
172.06235	0.5
350.29492	0.6
431.24063	100.0
432.24347	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	431.2407
Annotation	Phe Lys His
Peak:m/z	Relative Intensity
61.90242	0.7
69.54707	2.0
69.55112	1.3
78.06985	0.6
91.61303	0.6
137.05991	0.6
167.07065	0.9
173.52180	0.7
176.80962	0.6
222.96945	1.3
227.66853	0.6
258.99124	0.6
355.51474	0.7
388.12985	2.8
389.14154	1.4
390.14441	18.8
408.15579	2.1
431.24054	100.0
432.24243	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	431.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03161	19.0
69.42368	100.0
72.31177	19.2
86.07887	18.6
92.85612	18.5
119.08603	29.8
123.61663	18.2
128.01180	19.0
151.07558	33.1
167.07007	79.5
431.25854	49.0
431.34753	44.4
452.08173	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	431.2772
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
54.26964	0.5
57.07082	0.9
70.34960	0.4
70.52450	0.8
83.08607	0.6
93.53672	0.6
98.22678	0.5
105.01342	0.5
119.08565	2.3
120.96627	0.4
130.14464	0.5
135.08057	0.6
167.07068	1.0
203.10701	0.6
235.65579	0.6
295.67981	0.5
311.25732	0.5
320.30185	0.5
371.25763	0.7
371.70740	0.6
389.17520	0.7
431.27750	100.0
432.28082	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	431.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10953	17.0
57.07061	18.4
64.10739	16.5
69.07056	23.0
69.48033	65.6
70.30082	16.2
71.08621	21.0
89.61183	19.1
119.08572	36.1
151.07527	72.9
167.07056	100.0
192.72832	16.4
207.10188	22.1
268.62561	19.2
274.26782	18.7
299.00198	20.1
352.80402	20.8
396.68042	18.0
431.35168	83.5
453.81812	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	432.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.05511	1.2
57.03432	2.7
59.04999	7.8
59.12425	0.9
65.42918	0.9
67.05531	0.9
67.31569	0.8
69.03441	7.3
71.42123	0.9
72.09650	1.0
73.02919	1.2
79.05493	2.0
81.03416	1.8
83.04980	2.5
85.02910	9.1
87.04475	2.8
91.05502	2.5
93.07040	2.5
95.04971	1.6
97.02911	2.4
97.06528	1.1
99.04493	1.3
103.03933	2.7
103.05463	1.1
105.07008	2.3
105.58526	0.9
107.04961	1.2
107.08561	1.4
109.02864	1.9
115.05438	1.3
119.04946	3.0
119.08598	2.7
121.10186	1.5
125.05981	3.3
127.03875	2.4
131.04919	4.8
131.08556	5.5
132.06570	1.5
133.02870	7.2
133.06488	1.0
133.10126	2.1
135.04475	2.1
135.08043	1.2
137.02446	0.9
147.04372	6.5
149.02324	1.7
149.06039	1.7
149.09593	6.2
150.03084	4.4
151.03915	4.3
153.05457	10.9
154.06277	1.6
157.10159	1.0
159.04434	9.3
161.05975	2.3
162.03093	4.4
163.03935	4.8
164.04733	1.3
165.05521	2.7
166.02556	1.7
167.03412	1.4
171.04359	1.3
173.02431	2.2
175.03905	7.6
176.04724	3.3
177.01816	14.8
177.05438	7.5
178.02563	2.3
179.03371	7.3
179.07024	2.0
180.00575	2.4
180.03900	1.0
181.04953	28.1
185.08134	7.6
187.03886	6.8
189.05510	1.1
189.16469	1.5
190.02596	3.9
191.03389	30.5
191.07056	2.9
192.04080	1.5
193.01358	1.6
193.04962	13.7
194.02148	3.0
195.02870	17.8
195.06631	2.5
197.04462	18.4
199.14992	1.2
201.05565	1.3
202.02585	1.2
203.03416	1.4
204.04169	4.1
205.04961	26.8
206.05324	1.8
207.02887	3.7
207.06541	4.1
209.04449	53.3
210.04866	1.8
211.02309	2.6
215.03363	7.8
216.04205	1.4
217.04967	3.4
217.15887	2.2
218.02121	2.7
219.03015	7.1
219.06505	13.3
220.03561	1.1
221.04443	18.7
221.08032	1.4
223.02383	4.8
223.05986	6.5
225.04010	1.7
227.03334	1.1
229.05061	2.9
230.02132	1.8
231.02921	1.5
231.06503	1.9
232.03703	3.0
233.04442	35.6
235.05988	6.6
235.09688	1.8
237.03886	2.5
243.02939	1.8
245.04451	7.0
247.06029	19.4
249.03999	2.7
251.05501	38.1
252.05817	1.6
257.04477	3.9
263.05511	33.6
264.05847	1.2
275.05505	22.6
281.06601	9.6
293.06528	34.2
294.06808	1.4
311.07623	27.4
329.08664	100.0
330.08994	4.6
415.12408	9.3
431.22543	3.2
432.23291	7.7
433.14798	1.5
433.20016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01856	1.1
55.05505	1.6
57.03417	0.4
57.74458	0.2
61.02916	0.3
69.03426	3.3
71.04987	0.4
73.02908	0.6
73.74902	0.2
77.03922	0.3
79.05496	1.7
81.03419	1.4
85.02898	4.2
87.00829	1.8
91.05477	3.4
93.07043	8.1
95.04960	0.9
95.08581	0.3
97.02882	1.6
98.22713	0.9
99.04451	0.7
103.05444	0.5
105.01845	0.9
105.07035	2.7
107.04951	20.8
107.08604	1.6
108.04471	0.6
109.02872	1.5
109.06477	0.2
109.14898	0.2
114.64808	0.2
115.05427	0.4
116.06226	1.0
119.08578	0.8
121.06508	6.1
121.10137	7.7
126.05477	0.4
127.03917	2.5
129.01892	0.2
129.07019	0.3
131.08563	2.5
133.06490	0.7
134.07272	2.1
145.04973	1.0
145.06480	1.3
147.11545	0.2
149.09612	100.0
150.09959	3.5
159.02873	1.2
161.06000	0.5
161.09651	0.3
163.07642	0.4
163.11160	2.2
166.12210	0.3
187.07529	0.6
187.11189	0.5
189.03949	0.6
189.09012	0.4
189.16521	0.3
191.10687	2.8
197.05997	0.3
203.10669	1.1
215.06992	0.5
215.10591	1.5
217.15820	0.4
229.12228	0.7
231.05025	0.7
233.08159	0.3
233.11800	0.6
235.16797	0.4
239.10652	1.0
245.11656	0.3
248.07611	0.5
257.11731	2.6
275.12759	1.3
361.12830	0.7
379.13675	1.2
392.28821	0.4
433.17679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.4
53.35585	2.8
55.01877	11.1
57.03434	6.4
60.07303	3.1
61.02924	6.3
68.99799	4.8
69.03428	37.6
69.47217	13.5
71.04999	7.9
73.02906	5.7
74.96127	2.8
76.30087	3.2
79.05518	4.3
81.03422	29.5
81.07073	6.4
83.05019	2.8
85.02898	100.0
87.00824	44.5
89.06025	3.6
90.24800	3.1
95.08632	5.4
97.02891	61.7
99.04441	18.7
104.85839	2.8
105.01864	61.5
108.04476	5.6
109.02874	38.2
117.01877	3.9
119.08597	6.5
127.03903	88.5
133.08673	3.3
133.10175	3.4
145.04953	66.2
151.07466	4.9
159.02888	22.0
159.56297	3.1
163.65363	3.0
167.10712	4.2
181.04996	5.8
189.16426	5.2
196.07216	7.6
203.17924	6.5
211.09744	6.0
213.03976	4.5
219.10289	4.0
231.05003	20.1
235.17029	12.7
237.11282	3.5
244.77634	3.7
249.06047	5.0
251.12695	8.5
293.13727	5.0
311.14871	9.4
415.34546	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	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
61.02909	0.8
61.71511	0.5
67.05481	0.9
68.99788	1.2
69.03418	1.2
69.07045	1.0
71.17451	0.5
72.40240	0.6
79.05478	1.7
81.03419	4.1
81.07042	1.9
83.05002	0.7
85.02902	4.1
91.05466	2.2
93.07029	1.7
95.04964	0.7
95.08600	1.0
96.41684	0.5
97.02882	0.7
105.07031	2.8
107.04922	1.3
107.08586	0.9
109.10125	0.9
117.07042	0.8
119.08568	2.0
121.06474	2.4
123.04419	19.1
124.04749	0.5
127.03939	0.7
129.06982	1.6
131.08582	1.3
133.10191	1.0
137.06004	1.4
137.07030	0.7
143.08575	1.1
145.06462	0.5
145.10085	2.4
147.04408	1.4
147.08028	1.9
149.05975	41.7
157.10249	0.8
159.11682	0.6
160.05206	0.8
161.06004	0.9
161.09671	0.7
162.88710	0.6
163.07452	0.8
163.11153	3.5
165.09106	15.5
171.08017	0.5
173.05923	3.2
175.07539	20.7
176.04765	0.8
176.07884	1.0
189.09085	3.8
191.10583	0.8
193.08594	100.0
194.08899	3.2
199.07521	3.1
199.14812	1.3
209.11633	1.2
217.08653	5.5
217.15971	1.4
235.09641	49.1
235.16887	1.5
236.09970	2.1
253.10704	48.5
254.11041	1.6
259.09607	2.0
277.10675	0.7
297.34012	0.5
301.10629	1.3
319.11670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01881	1.6
55.05493	1.6
57.03436	0.9
67.05502	4.1
68.99777	1.0
69.03421	2.2
69.07064	2.6
70.06575	2.4
71.01351	0.8
71.04975	1.0
71.44624	0.8
71.45026	1.0
73.02900	0.8
79.05487	5.4
81.03417	24.5
81.07053	6.5
83.04967	1.5
83.08603	1.0
83.39436	0.6
84.08127	2.1
85.02900	9.5
85.06541	1.8
91.05478	7.9
93.07038	5.5
95.04972	3.8
95.08588	5.9
97.02879	3.0
99.04470	1.0
103.05457	1.7
105.07030	10.6
107.04971	6.2
107.08581	6.2
109.06467	1.0
109.10137	2.4
111.04401	0.7
115.04008	0.8
115.08628	0.7
117.06987	3.6
119.08577	9.6
120.82392	0.8
121.06510	5.1
121.10139	3.6
123.04427	19.1
123.08041	0.7
123.11723	0.9
126.09142	3.0
127.03915	1.5
128.06221	1.1
129.05508	0.7
129.07018	2.0
130.07799	1.3
131.08540	3.7
133.06490	1.0
133.10139	6.2
135.07994	1.3
135.11716	4.3
137.02373	1.0
137.05948	4.7
137.06879	0.8
142.07800	1.4
143.08580	4.1
145.04959	2.5
145.06500	1.0
145.10129	17.4
147.04431	0.9
147.08055	3.1
147.11684	4.0
149.05977	39.0
149.13187	0.8
150.06360	1.0
151.11192	0.9
151.14989	0.7
153.12720	3.8
157.10075	3.3
159.11662	1.3
160.05154	1.3
161.05981	2.6
161.09618	3.9
161.13220	1.3
163.07521	2.2
163.11186	29.6
163.14813	0.8
164.11496	0.8
165.09109	15.9
166.09476	0.7
170.40294	0.7
171.08023	0.9
171.11621	0.9
173.05954	2.2
173.13242	1.0
175.07533	20.5
176.07890	1.0
177.12758	0.9
181.05017	0.9
181.06459	1.0
189.09068	4.1
189.16386	5.0
191.10748	0.9
193.08598	100.0
194.08995	3.9
199.07527	3.4
199.14792	5.4
207.10202	0.7
207.17429	1.0
209.11681	1.1
217.08612	5.4
217.15869	8.1
235.09654	47.3
235.13362	2.2
235.16870	6.3
236.10078	2.1
253.10715	53.3
253.17975	1.5
254.11061	2.4
259.09631	1.7
261.91287	0.7
268.16580	0.7
270.04510	0.8
277.10648	0.7
299.25943	0.7
301.10709	1.3
319.11649	1.6
432.18967	2.3
432.24158	1.2
433.24313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
53.29120	1.1
57.03425	2.1
61.02946	1.2
61.94527	1.0
69.03430	11.4
69.40341	5.1
71.04982	4.3
73.02913	2.8
81.03416	13.1
83.04969	1.2
85.02905	65.8
86.03185	1.7
91.05479	55.4
93.07065	1.7
93.57136	1.1
95.06084	1.6
97.02892	25.7
99.04453	42.7
103.03939	87.2
103.20365	1.1
104.04353	1.0
105.07042	1.2
109.02868	15.5
110.19791	1.0
115.03964	1.7
119.08603	1.7
121.26537	1.3
127.03912	100.0
128.04279	2.3
129.07027	3.0
135.00385	1.2
143.08545	1.7
145.04958	65.2
157.06531	2.0
159.11797	1.6
163.06017	52.7
171.08095	1.9
175.07538	2.1
175.14818	1.5
183.02890	2.7
187.06055	4.5
203.07063	4.8
205.07022	5.5
217.08647	6.1
217.15950	1.6
225.85217	1.2
235.09660	9.6
253.07195	1.5
253.10713	4.1
271.08185	8.9
289.09222	7.3
307.10202	12.4
344.26859	1.3
361.12930	1.2
381.94391	1.2
388.29590	1.3
397.14877	1.5
422.31061	1.3
432.19009	9.3
453.83911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05305	0.5
55.05511	6.6
57.03419	1.1
60.06828	0.6
61.02920	1.3
67.05498	1.8
69.03417	2.8
69.07065	4.6
69.40609	2.8
79.05486	1.5
79.89959	0.7
80.55362	0.6
81.03423	0.9
81.07043	2.4
83.01345	0.7
83.08616	7.1
85.02902	8.6
87.04473	0.8
91.05487	3.1
93.07055	3.5
95.05028	0.9
95.08614	1.7
97.02872	2.7
97.06525	1.5
105.07013	3.8
107.08567	2.0
109.02895	0.8
109.06529	1.5
111.08057	3.9
112.30048	0.8
114.18304	0.7
117.07007	1.0
119.08591	2.0
121.06512	1.6
121.10152	1.0
125.05995	4.5
125.09654	0.9
127.03922	2.1
131.08577	2.6
133.10120	2.0
136.81070	0.7
137.05971	100.0
138.06325	1.7
142.07713	0.8
143.08565	2.2
145.02872	0.8
145.04956	2.0
145.10091	2.2
147.07973	1.2
147.11729	1.2
149.02383	1.6
149.06041	0.8
151.07507	1.6
153.01854	4.0
153.05440	1.2
157.10103	3.0
159.11676	4.0
161.05992	4.1
161.09650	1.9
163.06277	0.7
163.07547	4.2
167.52036	0.7
169.06438	1.0
171.11664	1.2
173.13199	1.1
175.07538	12.7
175.14824	1.3
176.08266	0.8
187.07675	0.7
187.14825	1.4
188.08456	0.6
189.09142	3.3
189.12755	1.5
189.16418	1.3
197.05852	0.8
199.14819	4.8
203.07060	2.1
215.07050	3.4
217.12236	64.3
217.15517	7.9
218.12553	1.9
225.05464	1.9
235.13280	30.9
235.16837	6.5
243.06476	1.2
253.05014	1.6
253.14333	85.1
254.14659	3.3
271.05997	51.5
277.14307	1.0
301.14343	2.7
319.15338	1.4
343.15347	0.9
433.18314	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	432.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01871	1.1
55.05511	0.9
57.03427	1.0
61.02927	1.3
63.07221	0.3
69.03443	2.2
69.07063	2.3
69.14116	2.4
71.04998	1.3
73.02926	0.4
79.05492	1.0
80.57852	0.4
81.03404	1.0
81.07063	1.8
83.04974	0.6
85.02406	0.5
85.02906	9.5
91.03930	0.4
91.05482	1.1
93.07073	1.8
95.04987	0.7
95.08607	1.6
97.02897	2.3
97.06521	0.4
99.04459	0.8
105.07030	70.4
106.07359	1.7
107.08575	2.5
109.02854	0.6
109.06530	0.7
109.10156	1.6
111.04456	0.8
117.07028	0.5
119.08579	20.5
120.08940	0.7
121.10149	1.7
123.07982	0.5
123.11717	1.7
127.03917	1.3
131.08563	1.7
133.10130	3.0
135.11705	0.8
143.08600	0.8
145.04909	1.9
145.10164	1.0
147.11699	2.0
157.10129	1.1
159.11722	4.2
161.13255	100.0
162.13615	4.2
163.11192	0.7
165.12766	5.0
166.13181	0.5
171.11713	0.5
173.13257	1.0
175.11266	0.5
175.14821	2.1
177.12831	0.6
189.12772	1.4
189.16460	1.8
191.14348	1.4
193.15852	0.8
199.14816	2.9
217.15875	7.1
218.16310	0.5
235.16919	12.4
236.17249	0.5
253.17993	25.8
254.18352	1.4
287.05533	4.6
433.18747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.0
55.05512	4.8
57.03436	2.7
57.07074	2.6
59.04983	3.5
61.02929	2.8
64.62803	1.2
67.05498	3.0
69.03421	5.0
69.07063	12.5
70.06570	1.7
71.04986	3.6
75.53166	1.4
79.05492	6.6
81.03413	3.1
81.07056	16.9
83.04972	3.9
83.08607	6.0
85.02899	13.2
87.10123	1.2
91.05482	5.8
93.07042	12.8
94.36422	1.3
95.04961	1.6
95.08607	20.2
97.02890	1.8
97.06529	6.5
105.07017	21.4
107.08586	19.9
109.06508	5.4
109.10177	11.9
111.08073	2.0
116.55846	1.4
117.07012	1.8
119.08577	41.0
120.08952	2.1
121.06476	2.4
121.10139	23.6
123.08088	6.8
123.11713	7.8
127.03906	2.5
131.08565	4.3
133.10123	40.8
135.11673	12.2
137.09616	2.0
139.07526	1.6
143.08566	3.5
145.04996	2.4
145.10153	2.2
147.11697	11.6
149.09613	2.8
149.13266	4.8
151.11201	6.7
153.09158	1.7
157.10117	4.3
159.11636	7.5
161.09601	5.6
161.13274	11.7
165.09177	2.3
165.12718	2.2
167.10683	2.1
171.11684	3.0
173.13217	8.0
175.11261	7.2
175.14816	100.0
176.15175	3.0
177.12735	4.5
179.10770	11.2
179.14301	54.3
189.16386	18.7
191.14420	1.9
197.11761	4.7
199.14821	6.4
201.16776	1.6
207.17462	6.1
217.15877	32.9
218.16331	1.5
235.16927	78.8
236.17398	2.5
253.17964	40.9
287.05432	3.0
390.24332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62864	0.7
53.03949	1.3
55.01874	1.9
55.05515	1.9
57.03434	1.6
61.02925	2.0
61.41647	0.7
67.05516	4.9
68.99794	1.7
69.03434	3.5
69.07077	4.4
69.97296	2.6
70.06588	1.4
71.05002	1.5
79.05493	6.0
81.02959	1.8
81.03419	27.2
81.07066	7.6
83.04976	1.8
84.08135	2.0
85.02900	10.8
85.06564	1.0
91.03960	1.1
91.05471	8.8
93.07035	7.3
95.04976	4.9
95.08614	8.4
97.02870	3.7
97.06529	1.4
98.23466	1.0
103.05485	1.0
105.07038	11.7
107.04961	7.7
107.08602	9.4
109.02879	0.9
109.06525	2.3
109.10158	2.5
111.08058	0.8
116.74528	0.9
117.07018	4.3
119.08592	12.2
121.06525	4.2
121.10145	3.5
123.04430	17.9
123.11710	1.7
124.04767	1.1
126.09170	2.1
127.03896	1.9
128.06181	1.6
129.07021	3.0
130.07809	2.6
131.08580	3.4
133.10126	7.5
135.08070	2.8
135.11699	5.3
137.05980	3.3
137.07018	1.8
142.07793	1.1
143.08574	5.4
145.04945	3.0
145.10123	21.7
146.10501	0.9
147.08052	3.3
147.11664	6.5
149.05972	38.0
149.07187	1.9
149.13243	1.0
150.06334	2.2
153.12761	5.4
157.10123	3.9
159.11670	2.3
161.05986	2.4
161.09612	3.8
161.13309	1.2
163.07532	2.7
163.11179	34.5
163.14891	1.3
164.11555	1.6
165.09126	16.9
173.05972	2.4
173.13292	1.5
175.07553	21.1
175.11125	1.0
175.14745	1.0
176.07843	1.5
177.12750	1.4
182.05374	1.0
189.05521	1.1
189.09114	4.2
189.16335	4.4
191.14232	0.9
193.08603	100.0
194.09000	3.3
199.07632	3.3
199.14813	6.3
207.17528	1.2
209.11748	1.6
217.08556	5.8
217.15860	10.4
235.09647	51.7
235.13393	2.8
235.16898	8.1
236.10120	2.2
239.07059	1.0
253.10707	55.7
254.11079	2.6
259.09628	1.2
268.16391	1.0
301.10651	1.2
303.19125	0.9
319.11639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.4
67.05502	12.5
69.03419	13.7
69.07079	4.7
69.38765	7.4
69.39169	19.0
79.05463	7.3
81.07053	38.7
85.02896	11.2
91.05469	12.7
93.07055	14.3
95.08614	22.7
105.07040	19.1
107.08582	16.7
109.10148	15.8
117.06973	5.3
119.08578	23.8
121.10114	9.1
123.11729	6.7
131.08589	9.2
133.10121	15.2
135.11705	7.3
143.08577	6.7
145.10164	7.1
147.11681	9.9
151.07545	69.9
157.09987	6.4
159.11688	14.5
161.09628	5.7
161.13219	16.6
186.15775	4.2
187.27574	4.6
189.16373	35.7
199.14801	9.8
201.16457	5.3
203.17989	18.7
217.15910	49.7
231.17398	4.1
235.16927	100.0
236.17223	5.6
250.15640	4.3
253.18010	9.5
265.70749	4.3
329.20795	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	432.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.7
56.32250	5.0
63.54939	3.9
66.29814	4.7
67.05505	14.9
69.07083	4.9
69.10258	33.1
77.12994	4.1
79.05488	14.5
81.07055	93.2
83.04979	5.4
85.02891	9.9
91.05480	11.9
93.07043	20.7
95.08614	36.8
96.08223	5.7
99.76440	4.6
105.07008	34.9
105.67699	5.6
107.08578	34.0
109.10155	22.0
109.52309	4.5
113.95300	4.4
119.08559	48.1
121.10155	12.4
123.11691	31.9
125.06044	4.4
127.03896	6.8
127.07491	5.2
133.10159	40.2
135.11703	20.2
145.10159	9.0
147.11681	15.6
153.09111	8.3
159.11746	8.4
161.13260	47.6
174.41028	6.0
179.10698	10.5
189.16396	100.0
217.15881	26.0
235.16927	82.6
283.15396	8.3
422.16287	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	432.36
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68712	1.8
69.07074	2.9
81.07070	3.0
95.08602	4.3
103.90266	1.9
104.27517	2.0
107.04966	2.5
107.08599	3.1
108.60032	2.0
119.08551	9.1
122.07312	3.6
123.08051	7.3
126.02235	1.9
135.08081	5.6
137.05965	2.1
150.06763	21.8
151.07544	100.0
152.08269	4.1
164.08208	2.4
177.09132	2.7
191.10672	14.6
197.04280	2.4
211.62498	2.2
232.41536	1.9
338.16187	2.0
414.34897	53.1
415.35156	5.6
432.35947	23.1
433.36053	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07043	3.2
66.01415	3.1
67.05494	3.9
70.04208	9.8
81.07076	5.1
93.07057	3.0
95.08591	4.8
95.62475	3.3
98.22775	5.2
107.08601	4.4
119.08588	32.6
122.03312	3.1
122.07269	7.8
123.08074	8.8
135.08090	7.4
138.06761	3.8
150.06758	14.0
151.07544	100.0
152.08316	7.8
164.08221	3.8
171.64102	3.4
191.10664	9.3
233.10321	3.4
360.33585	3.4
414.34927	62.6
415.34921	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	432.9648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39533	0.4
54.33528	0.5
54.70469	0.4
56.96559	6.4
59.30979	0.4
71.43307	0.5
71.95274	0.6
80.04546	0.4
93.71710	0.4
98.97579	76.0
116.98620	34.9
131.64711	0.4
134.69606	0.5
134.99654	9.9
143.02859	0.4
168.29047	0.5
172.94370	4.1
186.49623	0.5
190.95381	2.9
200.15486	0.5
208.96510	0.8
214.95340	3.3
232.96481	6.2
241.94147	0.5
250.97437	2.2
256.96417	19.1
257.96805	0.7
258.99814	1.8
270.91144	0.8
272.15997	0.5
274.97498	100.0
275.97882	3.3
276.97928	1.0
277.00894	1.4
278.97055	0.6
288.92096	0.8
290.94931	0.8
292.98547	45.2
293.98822	1.2
294.98700	0.4
297.99112	1.4
316.00272	0.6
316.98734	0.7
332.96851	0.5
390.98853	1.3
410.88245	0.6
414.95358	15.5
415.95563	0.8
428.89883	1.0
432.96399	16.4
433.96985	0.5
450.97620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44139	0.9
55.05502	2.8
57.03431	3.7
58.24361	0.9
61.02917	1.4
67.05496	2.7
69.03424	1.8
69.07066	1.3
71.04993	28.2
73.02900	1.6
73.07079	1.0
75.04476	2.3
79.05479	2.4
81.03400	1.6
81.07056	4.1
83.08618	1.4
85.02905	27.5
89.13791	0.9
91.05474	2.9
93.07060	3.4
95.04988	2.1
95.08606	3.3
97.02890	2.3
99.04487	1.5
100.11256	2.0
105.03407	2.2
105.07030	5.3
107.08590	5.0
109.02894	1.2
109.06477	1.5
109.10152	3.5
111.04449	1.3
111.08060	1.2
119.08588	2.7
120.08930	0.9
121.02879	2.5
121.10133	2.2
123.11770	1.0
126.93938	0.9
127.03923	1.7
129.05501	6.3
131.08557	1.2
133.10150	5.4
145.04959	0.9
145.10115	1.9
147.11641	1.5
149.13229	1.1
150.57852	0.8
151.11151	1.8
153.01823	3.5
159.11703	2.0
161.06024	0.8
161.13217	3.0
167.06985	1.0
167.14503	0.9
167.63565	0.8
173.13263	1.0
175.14703	1.1
189.16508	1.0
201.16405	1.4
213.05354	1.1
217.15796	1.7
219.17384	1.2
221.53505	0.9
235.16969	2.9
237.18507	1.2
253.18044	2.6
258.05145	1.5
263.05551	1.5
271.15329	2.0
285.10101	1.6
287.05478	100.0
288.05902	4.0
344.26956	1.0
432.26187	2.7
432.76437	3.8
433.20712	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.5
55.01871	0.3
55.05530	0.3
57.03435	3.6
66.28553	0.3
67.05503	0.3
68.48816	0.3
68.99795	0.7
69.03452	0.3
70.00240	0.9
71.04990	27.4
72.05324	0.3
73.02903	0.6
75.04465	1.0
79.05476	0.7
81.07056	0.6
81.11687	0.3
83.04966	0.6
84.72346	0.3
85.02900	26.1
86.03223	0.3
91.05425	0.4
93.07031	0.7
95.04957	0.4
95.08597	0.7
95.80691	0.3
97.02900	0.3
105.03382	1.5
105.07015	0.8
107.08590	0.5
109.10104	0.4
111.00779	0.5
111.04448	0.5
119.08576	0.9
121.02855	2.5
123.11681	0.4
129.05476	7.2
131.08542	0.7
133.02818	0.5
133.10139	0.4
135.11691	0.3
135.46378	0.4
137.02344	0.6
145.10078	0.5
147.04337	0.5
147.06459	0.7
153.01830	3.6
157.10127	0.4
157.23227	0.4
165.01823	1.4
183.02905	0.9
185.05952	0.5
189.16386	0.4
191.17975	0.3
195.02866	0.6
201.16415	0.4
203.05162	0.5
209.04364	0.6
213.05499	1.1
217.15829	0.6
219.17424	0.9
231.06366	0.4
235.16907	0.4
236.10036	0.7
236.17334	0.3
241.04878	0.7
258.05179	0.9
287.05478	100.0
288.05817	6.1
329.06525	0.5
388.83563	0.3
433.18002	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1625
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
55.05516	0.8
56.12092	0.7
60.70171	0.7
61.12001	0.7
69.03407	1.3
69.07059	0.9
71.05011	0.7
79.05473	0.8
81.07045	2.7
85.02887	1.6
91.05460	2.0
92.91883	0.7
93.07045	1.7
95.04961	2.0
95.08575	3.5
98.23609	1.4
105.07022	3.7
106.07359	1.2
107.04980	1.0
107.08580	1.2
109.06474	0.7
109.10139	1.5
110.10469	1.0
119.08559	3.3
120.08920	1.3
123.04388	1.4
131.08559	1.2
133.10120	4.5
134.10457	2.5
145.10056	0.8
147.11678	1.3
148.12045	1.6
153.05428	0.8
158.10568	0.9
159.11710	1.4
161.13255	1.1
175.11244	1.2
179.10696	2.1
180.10945	1.3
181.04930	1.9
189.16367	1.6
190.16788	2.2
193.92476	0.8
201.16364	1.7
217.15921	2.7
218.16211	3.4
235.16907	3.6
236.17256	5.1
237.18410	1.3
249.07588	0.7
433.16208	100.0
434.16507	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	433.2354
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.30185	1.2
55.01857	1.4
55.05513	10.6
55.06498	1.2
57.03437	10.0
57.07075	2.9
58.51901	1.2
60.37997	1.3
65.03947	2.7
67.05505	54.1
69.07069	11.1
70.06591	2.9
70.13336	3.0
71.05004	1.7
77.03928	1.3
79.05492	31.9
79.45592	1.2
80.05828	1.4
81.07056	58.6
82.07406	1.3
83.08614	4.8
85.06532	2.5
91.05476	16.4
93.07043	38.8
95.04968	3.4
95.08608	49.2
97.06543	1.5
97.10178	2.8
98.22993	2.7
98.98466	68.7
105.04486	1.3
105.07018	12.4
107.08597	26.3
109.06544	1.9
109.10150	20.6
116.99460	1.6
117.07013	6.2
117.55327	1.5
119.08583	14.5
120.08930	3.7
121.10146	17.9
123.11705	9.1
125.09620	1.3
131.08574	9.0
133.10117	7.8
135.11699	15.7
137.05980	4.0
137.13252	3.7
140.61337	1.2
145.10139	8.7
147.11688	7.4
149.13255	10.9
151.07539	1.2
155.01083	11.1
159.11751	7.9
161.13286	4.9
163.14819	7.1
165.12735	1.5
167.07069	1.4
173.02103	14.1
173.13214	6.7
175.14809	2.2
177.16469	1.4
183.06500	1.5
187.14806	4.0
188.60503	1.3
201.16309	1.8
205.15880	1.5
217.19427	1.4
233.22583	1.8
243.21133	13.1
248.07951	1.4
258.17456	1.3
261.22131	40.1
262.22592	3.2
317.24759	4.9
331.22540	2.2
335.25787	100.0
336.26260	6.3
373.24200	1.3
415.22379	2.2
433.19882	7.8
433.25577	79.1
434.25882	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	433.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
57.03438	0.8
57.07074	3.7
67.05512	1.5
69.07069	1.4
71.08627	2.4
71.43322	0.8
74.65660	0.6
76.32500	0.7
79.05473	1.0
80.67806	0.6
81.07047	2.2
83.08629	1.1
85.10201	1.2
95.08611	2.1
107.08567	0.8
109.10141	0.8
119.08584	2.4
120.08953	1.5
120.96652	3.8
123.11712	1.1
131.08621	0.7
135.08069	0.8
176.99063	0.7
188.54286	0.6
195.00310	2.3
205.08504	0.9
206.40973	0.7
303.16592	0.6
313.24203	1.0
313.27426	9.2
321.13052	1.6
345.09576	0.7
353.26529	0.9
403.10046	0.8
415.22305	2.7
428.72928	0.6
428.99036	0.7
433.25815	100.0
434.26074	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	434.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05499	1.9
57.03429	1.4
67.05502	3.6
69.03436	2.5
69.07070	2.2
69.18459	4.8
69.18864	2.1
71.05001	1.8
75.50415	1.1
78.03452	19.3
79.05489	4.5
80.05011	2.6
81.03437	1.7
81.07062	8.6
85.02898	16.6
87.00855	1.1
91.05481	5.2
93.07036	8.6
95.04980	2.4
95.08610	14.5
96.04488	4.7
97.02867	2.8
97.06514	2.1
99.04445	1.5
99.08054	1.9
105.07041	11.7
106.02191	2.8
106.02910	59.5
107.04936	1.2
107.08587	11.0
109.02888	1.9
109.10163	9.0
111.08099	1.1
117.07027	2.2
119.08574	11.1
121.06487	1.4
121.10126	7.2
123.08044	1.7
123.11706	1.7
124.03947	100.0
125.04333	1.2
127.03905	3.1
131.04965	1.2
131.08563	8.2
133.02866	3.5
133.10104	6.8
135.11705	5.4
137.09592	1.9
138.03188	1.8
138.05492	5.1
145.04933	2.6
145.10133	13.4
147.04428	1.9
147.11681	4.5
149.02310	1.7
149.13234	2.0
150.03119	4.1
151.03909	2.7
151.07513	4.4
153.05409	2.1
159.04453	2.3
159.11639	9.5
161.13240	7.0
163.03889	1.6
163.07552	1.7
163.11186	2.0
165.05460	3.2
166.02670	1.3
166.04994	22.0
173.13232	3.7
175.03917	1.1
175.14827	3.7
175.94806	1.2
177.01822	8.2
177.05511	1.7
177.09167	3.3
177.12814	1.5
179.03413	2.5
179.07111	1.1
180.00458	1.3
181.04930	12.6
187.03908	2.2
189.16365	8.3
191.03366	7.6
191.10716	1.9
191.17926	3.8
193.04990	3.1
193.08582	1.9
194.02098	7.1
195.02888	3.4
197.02919	1.2
197.04410	6.7
201.16379	34.4
203.17931	1.8
204.04149	2.7
205.04926	6.5
207.06622	1.6
209.04442	49.0
210.04820	1.5
211.09702	1.5
215.03354	3.4
219.06557	4.8
219.10245	1.8
219.17430	44.3
221.04431	3.5
226.07095	36.9
226.09273	2.2
227.07506	1.6
229.05025	1.6
232.03720	2.1
233.04401	7.4
237.03966	2.4
237.11218	4.1
237.18471	26.8
247.06084	6.6
251.05505	6.7
255.12213	2.2
257.04419	1.5
260.03101	1.8
263.05539	1.6
275.05536	10.3
286.07120	2.3
293.06769	5.8
305.19882	1.3
381.22437	1.3
398.08704	4.7
416.09708	9.2
416.14636	1.1
434.10800	39.2
434.18634	3.9
435.11139	2.1
435.19833	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	434.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17533	1.8
54.55207	1.9
55.01866	5.4
56.01954	1.7
67.05518	2.6
69.03439	25.4
70.06557	2.4
81.03428	4.0
81.07053	3.5
83.04977	3.4
85.02929	10.6
86.06116	2.4
86.09676	2.5
87.00803	2.6
87.04463	2.1
91.05482	5.0
93.07050	4.6
95.04989	2.1
97.02892	4.0
98.22722	5.6
98.64876	2.2
99.04457	9.3
103.05466	3.8
105.07038	2.8
107.04926	3.4
107.08527	2.9
109.02866	7.3
109.10138	2.0
113.06019	2.8
119.04942	5.2
119.08546	2.3
121.02880	2.5
121.34182	1.8
123.04409	3.8
124.07594	5.6
127.03956	3.7
131.04942	14.9
133.02774	2.0
133.06441	2.8
133.10123	2.5
135.04445	2.4
137.02271	2.3
137.05997	3.6
139.03862	3.5
145.05000	2.2
147.04422	8.1
149.02365	2.9
149.05995	5.0
150.03098	2.2
151.03886	13.9
151.07613	3.7
153.01859	3.6
153.05486	13.1
159.04404	10.8
161.06015	2.3
162.03107	10.4
163.03893	14.6
163.07495	4.7
164.04626	2.7
165.01872	3.1
165.05443	3.3
167.03395	4.8
167.06982	2.7
173.02348	2.6
175.03906	10.7
176.04649	3.4
177.05457	15.5
178.02583	9.2
179.03383	16.8
179.07031	5.7
180.00600	6.7
181.04936	8.3
181.08594	2.8
184.05801	2.6
187.03929	8.7
190.02658	11.5
191.03397	56.4
191.07060	2.6
192.04076	3.4
193.04956	19.5
195.02919	30.3
195.06581	6.1
197.04475	35.4
199.03755	2.1
201.01872	3.8
202.02551	4.5
204.04225	4.6
205.04945	41.0
205.08716	2.4
206.02142	2.9
207.02858	6.7
207.06471	3.1
208.03651	3.4
209.04465	21.0
211.02415	4.4
215.03423	9.9
218.02266	3.2
219.03059	10.3
219.06480	13.6
219.10092	3.2
219.17520	4.3
221.04417	14.5
223.02422	5.0
223.05997	23.2
223.09309	2.1
225.04022	6.1
227.03427	2.0
227.09174	2.7
229.05020	3.3
231.02873	2.5
233.04462	100.0
234.04950	5.3
235.06091	6.3
237.07599	5.2
237.11227	4.6
245.04465	7.8
247.06032	21.8
249.03967	2.6
251.05516	71.8
255.12341	3.4
257.04462	5.0
258.13412	4.5
263.05527	38.3
264.05972	2.7
275.05505	20.0
281.06567	12.3
293.06570	32.1
311.07626	67.3
312.07935	2.6
329.08627	51.1
330.09094	3.6
337.08673	2.4
417.10275	37.8
418.11096	2.4
434.17139	10.5
435.17932	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	434.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39015	1.7
53.03952	9.0
55.01641	1.9
55.01868	10.1
57.03440	7.8
61.02916	6.7
68.99797	3.9
69.03430	34.3
70.41940	3.1
71.04981	6.8
73.02919	9.5
79.05473	2.2
81.03416	29.2
81.07047	4.5
81.76711	1.7
83.01343	1.9
85.02908	100.0
87.00824	36.6
87.62518	1.9
91.03959	2.8
93.07043	5.0
95.08623	3.2
97.02892	57.3
99.04455	19.2
100.11293	2.3
105.01866	41.6
105.07037	5.6
107.08569	3.9
109.02874	30.0
109.10141	2.3
117.01860	4.4
118.80071	1.7
119.08588	1.8
127.03913	82.1
129.01822	4.0
131.08575	2.5
137.02345	40.6
139.03906	4.4
145.04965	54.2
145.10117	3.8
147.02856	3.3
152.92856	2.0
159.02879	24.3
159.11710	2.0
161.13237	3.4
169.04959	45.1
189.16365	4.4
191.18027	1.8
201.16341	12.4
213.03830	2.1
219.17458	14.5
231.05040	12.3
237.11198	2.1
237.18512	10.6
249.06136	2.1
255.12357	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	434.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01877	10.6
57.03440	7.5
61.02927	6.2
67.05491	2.9
68.99803	1.8
69.03426	25.2
71.01395	1.0
71.04993	6.0
73.02917	11.4
78.03450	22.8
79.05488	1.8
80.05024	5.2
81.03419	24.7
81.07050	3.3
84.60317	1.1
85.02905	77.7
85.06528	6.9
86.03213	1.2
87.00829	28.8
87.01328	2.4
87.04457	2.3
88.24494	1.2
91.03943	3.0
91.05489	4.3
93.07027	2.8
95.08609	1.6
96.04488	4.2
97.02892	60.0
98.22659	3.9
99.04457	17.7
103.03949	3.9
105.01870	28.1
105.07018	3.2
106.02912	52.6
107.03298	1.4
107.04948	3.1
107.08571	2.7
109.02877	21.7
109.10158	1.7
115.03931	2.2
117.01884	2.3
119.08598	2.8
121.02847	1.3
121.10148	1.7
124.03953	100.0
125.04312	2.3
127.03918	69.9
129.01823	2.9
131.04961	2.4
131.08580	2.6
133.02812	2.8
134.38017	1.3
134.52872	1.0
137.02335	21.5
137.05991	1.4
138.03131	1.7
138.05548	5.9
145.04956	49.9
145.10118	3.8
147.02916	2.4
147.04417	1.2
147.11694	1.1
149.02252	1.4
150.03120	5.6
151.03925	3.3
153.05502	1.4
153.09113	2.7
159.02911	22.4
159.04369	3.1
159.11678	4.0
161.13281	1.9
163.06067	1.8
165.05484	1.6
166.02705	2.1
166.04999	14.2
169.03601	2.2
169.04964	24.2
169.08650	1.6
176.04524	1.4
177.01790	7.7
177.04024	2.0
177.05409	1.4
179.03392	3.8
181.04965	11.6
187.03885	3.6
191.03384	6.2
192.04210	1.4
193.04973	4.4
194.02138	6.4
195.02898	4.9
197.04437	6.3
201.16380	4.7
203.06911	1.4
204.04092	2.9
205.04955	6.0
207.02780	1.7
209.04451	39.5
215.03430	2.7
219.02983	1.6
219.06555	4.3
219.13979	2.0
219.17407	6.4
221.04384	4.2
226.07082	28.2
231.04945	12.3
232.03439	1.8
233.04393	7.8
237.04082	2.3
237.14886	2.5
237.18553	2.7
243.02928	1.9
247.06007	5.9
251.05530	4.6
255.15858	9.1
260.03137	1.8
263.05557	1.6
275.05463	10.8
286.07199	1.6
293.06534	4.8
362.04184	1.2
398.08618	4.8
416.09869	6.9
434.10812	29.8
434.25967	1.7
435.11343	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	434.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.8
55.01868	5.8
57.03440	19.6
61.02924	10.1
69.03428	28.1
69.41457	1.9
69.41797	9.3
70.06594	2.5
71.01344	3.3
71.05006	6.3
73.02916	34.0
79.05492	4.7
79.17250	1.9
81.03417	17.6
81.07089	3.1
85.02907	73.9
85.06550	4.9
87.00816	8.8
87.04472	5.2
91.03983	2.9
91.05498	7.0
91.27039	1.9
93.07063	5.1
95.04979	3.1
95.08626	3.0
97.02892	49.3
99.04465	7.2
99.44321	1.8
105.01866	14.5
105.07042	5.7
107.01317	2.5
107.04980	2.7
107.08603	2.7
109.02882	17.2
109.10188	2.4
115.03944	26.0
119.04939	5.6
119.08605	4.4
120.08150	3.4
121.06490	1.9
121.10139	2.1
123.04446	5.3
124.03977	2.1
125.02345	2.4
125.36666	2.5
127.03916	45.7
132.06616	2.1
133.04984	8.1
133.06516	6.1
133.10115	2.8
135.04443	6.4
137.02403	5.7
137.05956	2.3
139.03873	3.4
140.07100	4.7
142.79344	2.0
144.06577	4.5
145.04973	31.5
145.06158	3.2
147.03041	2.4
147.04449	6.8
147.08034	3.0
148.04724	3.0
149.02330	10.5
151.07532	21.5
153.01822	100.0
154.02205	3.2
159.02901	5.8
159.11749	3.5
159.75981	1.8
161.06000	11.2
161.13301	2.6
162.05476	2.2
162.07654	2.9
163.06053	3.7
163.07419	3.0
165.09125	4.1
168.06622	5.9
171.02875	13.9
173.65121	1.9
175.07602	5.4
176.25742	1.9
177.05510	2.2
179.07050	4.7
180.08716	4.3
180.10194	2.8
187.07616	2.9
189.09099	2.8
191.07039	6.7
193.04980	5.5
193.08594	38.2
201.16412	6.3
207.10213	2.8
208.09756	6.1
211.09554	2.3
219.06641	2.2
219.10104	2.3
219.17456	7.8
227.10420	3.5
231.05008	7.3
235.09674	5.3
237.07573	73.2
237.11278	5.7
237.14870	3.6
238.07980	2.7
241.06973	2.8
255.08736	2.0
259.09763	5.2
277.10968	7.8
381.11798	2.6
434.17227	7.0
434.24387	11.0
435.18066	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45728	0.8
55.05503	2.6
57.03439	10.9
59.17877	0.8
61.02908	1.0
69.03439	2.9
70.70346	1.4
71.04995	76.9
71.67737	0.9
72.05322	1.7
73.02919	3.1
73.12818	0.9
75.04475	4.7
79.26829	0.9
81.03421	1.1
83.04988	6.9
85.02908	100.0
86.03221	1.9
87.04453	2.4
88.54784	0.9
91.05484	21.0
93.07088	0.9
97.02899	6.3
99.04462	1.9
103.03975	1.1
105.07041	3.7
107.08575	1.1
111.04446	6.0
119.08565	1.5
121.10191	1.6
123.04436	0.9
127.03909	4.5
129.05482	49.8
131.08658	0.8
133.06480	1.7
139.03857	1.3
145.04967	4.2
145.06546	2.0
145.10085	1.3
146.08110	1.4
147.06528	29.4
161.13257	1.2
163.11285	0.8
164.09166	7.9
165.07700	1.0
168.36887	0.8
175.07640	2.1
191.14252	0.8
201.09221	0.9
201.16420	1.8
204.51530	1.0
206.52493	0.9
209.11644	1.3
219.17444	2.2
237.18591	1.7
238.94804	0.9
253.10643	1.2
255.08798	2.2
255.12370	1.8
272.39041	1.0
273.09732	3.4
309.11795	2.8
313.86862	0.9
355.61014	1.0
454.83191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01859	2.8
55.05505	1.8
57.03438	36.4
59.04984	2.0
59.55795	1.3
61.02929	13.6
66.12360	1.2
66.39306	1.2
67.05482	2.5
69.03429	44.8
69.07082	1.9
70.68607	2.2
71.01346	4.0
71.04990	4.7
73.02918	58.0
79.05487	4.1
81.03416	5.8
81.07066	7.0
82.88043	1.2
83.04965	2.2
85.02904	100.0
87.04465	12.0
91.03954	3.8
91.05482	4.6
93.07035	5.8
95.08600	7.4
97.02893	64.4
99.04450	4.4
103.03991	1.7
105.07019	15.3
107.08594	6.8
109.02876	5.8
109.10149	5.3
115.03932	58.5
117.07014	4.4
119.08582	9.1
121.10131	3.3
127.03902	21.7
128.04187	1.4
129.07007	1.6
130.61758	1.4
131.08580	6.5
133.04962	24.8
133.10124	4.9
135.08058	1.3
135.11691	3.8
145.04956	37.1
145.10107	11.0
147.11647	2.1
150.07631	5.2
159.11696	8.1
161.13237	4.9
163.06013	18.2
163.07382	2.4
163.11261	1.6
173.13263	2.9
180.08698	1.4
193.04951	1.6
201.09058	3.7
201.16379	25.2
219.10220	2.9
219.13954	1.5
219.17416	14.7
223.05988	5.1
237.14890	2.7
237.18541	9.0
241.07066	6.0
253.94415	1.6
255.12340	2.4
259.08093	6.1
275.71161	1.3
285.13321	4.6
295.10214	6.4
435.19662	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66354	1.9
55.01866	2.4
56.91728	2.1
57.03431	8.3
61.02906	3.6
68.56477	2.0
69.03423	8.1
71.04949	2.7
71.44705	2.2
75.04474	6.1
81.03426	5.7
85.02924	17.4
91.05483	7.5
93.07050	4.3
97.02899	10.2
97.51233	2.4
99.04456	2.0
103.05455	23.6
105.07018	2.8
107.08578	3.2
109.02870	4.6
109.10127	4.1
110.03654	5.8
117.06968	2.5
119.04960	10.2
119.08604	3.1
121.06506	7.7
121.10188	3.2
123.04426	9.9
127.03921	10.2
131.04932	100.0
131.08525	2.2
133.06519	2.7
135.08102	5.2
137.05986	17.8
138.06740	12.4
145.05002	6.2
145.06427	2.6
145.10086	2.1
148.05200	7.7
149.05984	4.6
149.09587	2.6
151.07578	9.0
152.05685	2.8
159.08150	2.7
159.11693	2.6
161.05948	4.3
163.07547	70.0
163.08896	4.6
164.07927	2.9
166.06233	18.7
175.07510	6.9
177.05479	4.6
177.09084	4.4
179.07068	7.4
180.07661	2.4
181.08606	29.5
183.04799	4.0
191.06955	3.8
193.04961	5.0
193.08646	2.9
201.09158	9.1
205.05238	1.9
209.08064	7.3
219.10216	9.1
219.17448	6.2
237.07576	9.1
237.11186	21.9
255.12265	63.8
266.10388	2.4
434.17093	9.0
435.19315	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.1
55.01848	1.2
55.05513	2.1
57.03439	8.1
59.04999	1.9
61.02937	1.3
66.03033	0.9
67.05501	1.3
69.03426	4.4
69.52773	4.4
71.01347	1.1
71.04995	62.6
72.05305	1.2
73.02936	2.2
75.04480	7.5
79.05481	1.1
81.07047	4.0
83.04994	7.6
85.02908	100.0
86.03238	1.2
87.04478	2.3
91.05487	20.0
93.07039	3.3
95.04927	1.3
95.08612	4.2
97.02894	8.1
99.01179	1.0
99.04457	2.6
101.06013	1.0
103.03960	1.4
105.07008	6.8
107.08594	3.8
109.02878	1.8
109.10172	2.0
111.04451	6.0
117.07028	2.4
119.08580	3.6
121.02905	1.2
121.10143	2.7
123.04452	2.4
127.03927	6.1
129.05486	40.5
130.12514	1.0
131.08583	2.5
133.06509	1.6
133.10156	2.3
135.11765	1.5
137.09570	1.1
139.03897	3.4
145.04944	2.7
145.06425	1.6
145.10129	5.7
146.08141	2.2
147.06531	25.8
147.11720	2.3
149.06062	1.2
159.11697	4.1
161.13304	3.6
164.09172	8.0
167.03419	2.9
171.06436	1.3
173.13304	1.3
175.07529	3.3
180.08688	1.3
201.16408	8.0
203.18004	1.7
209.11732	4.4
219.17427	8.2
237.11177	1.2
237.18578	2.5
255.08583	2.7
255.12277	5.8
309.11798	3.1
334.24643	1.0
342.35034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24260	1.0
53.03949	1.6
55.01872	2.2
55.05503	6.0
57.03437	23.3
61.02918	4.6
67.05495	2.6
69.03439	9.9
69.43946	4.5
71.01373	1.4
71.04993	10.1
73.02914	19.4
73.06535	1.1
75.04478	100.0
76.04833	1.1
78.84280	1.0
79.05497	2.5
81.03422	3.5
81.07054	8.4
83.04983	15.1
85.02903	68.1
87.04471	3.7
91.03956	2.3
91.05478	82.8
92.05779	1.0
93.07053	7.3
95.08599	7.3
97.02892	27.5
99.04465	3.4
101.06014	8.0
103.03951	1.1
105.07024	16.3
107.08579	6.3
109.02892	3.8
109.10146	5.5
111.04433	14.2
111.08052	1.1
114.00781	1.6
115.03938	3.5
117.07029	2.6
119.08564	8.3
121.10150	5.5
127.03911	15.2
129.05482	16.8
129.06989	2.0
131.00070	1.1
131.08562	5.4
133.04939	1.1
133.06493	4.2
133.10135	3.5
135.11705	3.9
137.05952	2.2
139.03896	1.3
145.04955	25.8
145.06337	2.0
145.10127	8.3
147.06535	15.1
147.11702	2.6
149.09650	1.0
157.06593	2.5
159.11684	8.2
161.04471	2.9
161.13243	5.6
163.06038	11.7
163.07378	2.2
164.09224	3.0
173.13280	3.4
173.40123	1.1
175.07553	1.8
175.14842	4.0
179.14240	5.4
181.05063	1.4
189.16501	1.5
191.18002	3.1
199.06042	2.7
201.16373	18.2
208.28273	1.1
217.06895	2.1
217.08693	3.8
219.13806	2.3
219.17427	19.8
235.09581	1.8
237.07542	3.7
237.14844	2.2
237.18530	9.5
253.10678	3.4
255.08670	3.1
273.09622	5.3
281.03958	1.0
291.10434	1.6
295.41418	1.1
309.11801	2.8
434.18182	1.4
435.19888	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16078	4.9
53.03958	13.1
54.90574	5.4
55.01865	8.0
56.60655	5.5
57.03438	7.2
68.99791	6.3
69.03423	33.5
69.07072	66.6
69.34589	9.3
69.34980	14.7
71.05024	5.6
73.02912	15.2
81.03413	33.2
81.07056	14.8
85.02901	100.0
87.00832	55.0
97.02895	70.9
97.81941	5.1
98.23416	11.7
99.04455	15.5
105.01856	48.6
109.02874	54.3
109.10146	5.8
123.11700	41.4
127.03912	79.4
128.58722	5.9
134.52853	4.9
141.94766	5.0
145.04971	42.9
151.11186	51.2
159.02881	19.3
213.03970	9.0
231.04942	14.1
399.16364	20.3
445.25018	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87880	4.0
53.03926	5.5
55.01861	13.7
55.05497	6.2
57.03436	7.2
61.02930	4.9
67.05486	4.7
68.08377	3.5
69.03431	28.3
71.04985	10.9
73.02908	11.5
79.05515	4.4
81.03434	31.7
81.07054	23.6
85.02905	100.0
87.00823	39.0
89.46309	3.3
91.05513	5.5
93.07058	7.1
95.04966	10.1
95.08604	15.4
97.02894	48.8
97.10305	3.2
99.04427	20.6
105.01865	34.6
105.07038	4.6
107.08639	9.0
108.04492	11.0
109.02893	33.1
109.10144	8.4
117.01888	5.8
119.08596	7.2
123.11698	10.1
126.05478	5.1
127.03918	77.9
129.01907	3.9
133.10168	4.3
145.04942	34.9
151.11096	8.8
151.14699	3.9
159.02855	20.7
159.11641	4.1
161.13232	4.0
163.14816	6.0
169.12233	12.8
187.11096	4.0
188.56093	4.5
189.16267	4.7
193.12218	7.5
230.06548	7.1
231.05006	9.7
237.18602	10.6
248.07675	4.6
259.13202	6.9
434.32654	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	434.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01869	2.5
55.05517	4.9
57.03448	2.2
59.20464	1.9
61.02933	3.0
67.05505	9.4
67.19904	2.2
69.03429	8.2
69.07069	18.1
69.97564	2.6
69.97887	4.2
71.04993	5.1
74.68450	1.9
79.05492	3.5
81.03412	4.8
81.07053	7.6
83.04990	3.4
85.02909	19.6
85.06541	30.1
87.00817	2.8
91.05481	5.5
92.53648	2.5
93.07040	9.4
95.04990	7.5
95.08598	12.4
97.02886	8.7
97.06530	9.8
98.22753	3.7
99.04435	5.3
100.65063	2.1
105.01868	2.2
105.07040	8.7
107.04953	2.7
107.08607	8.9
109.02882	3.9
109.06509	4.5
109.10163	8.9
111.08086	4.3
111.11737	8.8
113.09640	17.3
114.50954	2.1
117.07026	2.5
119.08568	9.9
121.06544	4.9
121.10155	8.2
123.04454	6.9
123.08067	6.0
125.06009	2.5
127.03924	6.1
129.48389	2.6
131.08583	5.5
133.10139	9.4
135.08049	10.3
135.11667	3.7
137.05956	13.3
137.09601	6.6
139.03951	2.5
145.04959	8.2
145.10136	8.2
147.04395	2.6
147.11710	8.9
149.09615	4.6
151.07588	3.9
151.11212	3.6
153.09122	2.7
159.08055	2.2
159.11713	6.2
161.09639	5.5
161.13332	2.9
163.07495	19.4
173.13278	4.2
177.09123	8.5
177.12775	8.1
179.10681	5.9
195.13785	2.4
197.11737	4.5
201.16388	8.8
204.29169	1.9
207.13786	4.7
219.13837	12.4
219.17355	13.0
237.14853	100.0
237.18570	8.0
238.15208	3.3
255.15941	30.8
273.07486	4.5
336.80383	2.0
399.20297	3.2
434.14001	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	434.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38781	0.8
53.03950	0.7
55.05502	5.4
57.03421	1.1
57.56263	0.7
61.02910	2.2
67.05504	7.9
67.65739	0.9
69.03442	4.7
69.07065	2.4
70.26876	1.6
70.27259	0.7
71.04996	2.1
76.53079	0.9
79.05511	1.5
79.39807	0.6
81.07060	2.5
83.04980	3.8
85.02903	14.8
85.06530	1.1
91.05491	3.9
93.07057	4.2
95.04964	15.6
95.08598	5.1
97.02886	2.8
97.06532	3.4
98.22678	0.7
99.04453	3.8
105.07038	5.7
107.08587	6.7
109.02861	1.2
109.06527	2.2
109.10178	6.4
110.06897	0.8
111.04417	3.0
111.08076	1.8
119.08585	10.7
121.06522	2.8
121.10149	3.2
123.08044	4.6
127.03900	2.1
131.08556	4.0
133.10132	7.1
135.08054	15.0
135.11684	1.5
137.09610	8.3
141.09045	1.5
143.08582	0.9
145.04979	3.1
145.10115	1.5
147.08072	1.6
147.11650	1.3
149.09648	3.6
149.13280	1.3
151.07590	5.1
153.30504	1.1
159.11687	7.1
161.09628	8.5
161.13313	4.2
162.10394	1.3
163.06036	2.4
163.11223	1.1
165.09132	1.1
169.08626	1.9
170.07350	0.8
173.13225	4.8
175.11198	0.9
177.09076	2.5
177.12740	5.9
179.10640	4.0
189.12759	2.8
191.14323	3.8
201.12779	2.5
207.13802	1.1
219.13803	100.0
220.14113	3.8
237.14850	58.3
238.15211	2.6
280.16690	0.8
360.96539	0.8
369.55542	0.9
381.19241	1.4
434.22488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01862	1.8
55.05501	5.5
57.03436	1.2
61.02919	0.9
67.05506	8.7
69.03421	5.7
69.07066	2.4
70.56258	0.8
71.03373	0.7
71.04977	3.1
79.05487	1.3
81.03428	1.8
81.07047	2.9
83.04990	6.2
85.02419	0.9
85.02907	13.6
85.06493	0.7
91.05471	2.9
93.07039	3.2
95.04966	13.4
95.08589	3.8
97.02888	3.5
97.06519	3.4
99.04425	4.3
105.07033	4.8
107.08607	5.6
109.02934	1.3
109.06499	3.0
109.10160	5.3
111.04451	2.3
111.08073	2.3
117.06995	0.8
119.08588	9.2
121.06524	1.7
121.10155	4.1
123.08102	3.8
127.03931	2.6
131.08621	3.9
133.10152	7.9
135.08057	16.0
135.11673	2.1
135.90895	0.7
137.09616	6.2
141.09038	1.2
143.08594	1.4
145.04961	3.3
145.10117	1.8
147.08044	2.1
147.11650	1.2
149.09618	4.4
149.13269	1.5
151.07559	1.3
151.11217	0.9
159.11678	8.5
161.09628	10.2
161.13222	4.0
162.10368	1.6
163.06021	2.3
163.11180	1.0
165.09178	1.8
169.08609	0.9
173.13228	5.8
175.11281	0.9
177.09109	1.7
177.12729	10.1
179.10692	4.5
189.12744	2.0
191.14359	3.9
201.12717	1.8
207.13771	1.2
219.13800	100.0
220.14105	4.4
237.14845	56.0
238.15234	2.2
240.70360	0.8
259.29605	0.7
328.51550	0.8
377.48276	0.8
381.18958	1.6
424.72952	0.9
435.02072	0.9
435.12314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
54.02290	1.6
55.01874	1.7
57.03442	5.6
61.02926	2.1
67.05505	7.8
69.03426	7.3
70.67821	2.6
71.05000	4.6
73.02924	4.8
77.96914	1.6
78.03446	5.3
79.05503	8.9
81.03426	8.8
81.07058	19.8
85.02908	28.0
85.06547	7.3
87.00827	6.1
91.05486	5.9
93.07048	20.7
95.08604	21.7
97.02895	15.5
99.04472	4.9
105.01882	4.7
105.07030	32.8
106.02919	16.4
107.04952	1.9
107.08591	19.9
109.02876	6.0
109.10168	10.3
112.29711	1.9
117.07034	6.8
119.08578	20.4
121.10155	9.5
123.08086	4.0
124.03945	28.2
127.03911	18.4
129.07079	2.1
131.08559	23.6
133.10136	12.6
135.11702	6.4
137.02328	4.6
145.04964	16.3
145.10123	43.1
147.11710	5.1
149.13272	5.0
159.02925	3.8
159.11705	26.2
160.12080	1.8
161.13278	18.2
163.06049	3.7
166.05011	4.5
169.04971	6.7
173.13243	14.7
175.14850	5.0
177.01970	2.4
177.09096	2.2
180.31636	1.6
181.04938	4.1
183.11700	1.8
189.16431	13.9
191.17926	3.7
194.02083	1.9
201.16383	100.0
202.16800	2.1
205.04860	1.9
209.04530	9.7
219.13989	3.5
219.17438	86.1
220.17821	2.3
226.07124	8.9
231.04843	2.5
237.11189	2.2
237.14879	3.2
237.18434	19.0
247.06056	2.2
251.63802	1.6
255.15773	9.1
275.05444	2.5
344.59201	1.7
381.22757	2.1
399.23538	2.4
434.10825	6.9
434.26282	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
57.07072	1.6
67.05498	5.3
69.03419	2.5
69.07056	4.1
69.55605	2.2
69.55997	3.2
73.82740	1.4
79.05475	3.8
81.07053	12.9
85.02887	8.0
85.06568	1.2
91.03990	1.6
91.05469	4.7
93.07040	19.8
95.08603	18.0
97.02898	2.0
97.06469	1.7
97.10213	1.7
105.07021	20.1
107.04967	1.3
107.08593	21.7
109.06486	2.7
109.10153	14.2
111.08091	1.7
115.44465	1.4
117.07012	3.3
119.08581	20.0
121.10139	13.7
123.08061	1.9
123.11678	2.5
127.03902	2.1
131.08601	10.3
133.10109	7.5
135.11700	8.9
145.04993	2.9
145.10107	26.3
147.11699	5.8
149.09615	1.6
151.07620	1.5
159.11690	22.2
161.13281	6.9
163.11154	2.9
173.13263	12.9
175.14801	12.5
177.16353	2.6
179.14314	2.7
191.17946	8.5
191.25241	1.3
201.16380	81.0
202.16699	4.3
203.17976	7.8
210.61116	1.5
211.86044	1.4
219.17436	100.0
220.17650	2.5
237.07549	3.3
237.18478	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58570	1.5
50.89102	1.4
51.24741	1.3
53.03928	2.0
54.63660	1.4
55.01875	2.0
55.05511	2.4
55.18243	1.4
57.03437	11.9
59.05002	1.9
61.02919	6.4
63.27739	1.4
67.05505	8.0
68.05826	1.4
69.03427	45.2
69.07059	5.8
69.86485	4.3
70.06570	1.5
71.04986	5.2
73.02914	4.3
79.05486	10.1
81.03405	7.0
81.07049	19.0
83.04971	3.8
83.08630	2.7
85.02904	68.5
85.03416	3.5
87.04470	25.5
91.03947	3.1
91.05489	7.5
93.07038	17.0
95.04981	2.4
95.08603	24.0
96.91857	1.3
97.02887	42.4
97.06543	3.3
98.03243	1.6
99.04429	2.9
101.06020	1.7
104.65993	1.6
105.01883	1.8
105.07030	34.1
107.08593	21.8
109.02852	6.2
109.06531	2.4
109.10149	15.1
115.03925	46.6
117.07016	6.4
119.08563	18.5
120.04464	3.9
121.02847	4.8
121.10150	13.4
123.04372	2.4
123.08047	2.9
123.11720	4.3
124.03938	4.5
127.03903	19.1
131.08565	23.0
131.09489	2.8
133.04962	46.2
133.10098	12.9
135.11659	10.5
137.02347	2.2
139.03897	3.8
143.08577	1.7
144.09320	1.8
145.04948	25.4
145.10112	42.4
147.04413	2.7
147.08003	1.9
147.11705	4.6
149.13260	5.9
150.07610	4.2
150.20251	1.5
151.03876	2.4
151.11212	3.3
153.01697	2.1
153.05392	1.8
157.47878	1.4
159.11693	24.5
160.12190	1.5
161.13266	14.3
163.05983	8.8
163.11142	3.6
167.07097	2.4
169.05006	1.6
173.13293	11.2
175.14804	5.7
189.09053	2.6
189.16280	2.3
191.17909	4.6
195.02888	2.1
197.04507	1.6
201.16380	100.0
202.16682	5.1
213.03928	1.8
219.17429	79.6
220.17856	2.3
231.04948	2.0
237.14822	2.0
237.18484	28.3
255.15979	1.7
259.08173	3.1
263.05530	2.5
273.07498	3.5
274.07913	1.8
277.09232	2.3
285.13333	3.8
289.67899	1.6
295.10226	1.6
317.03531	1.7
399.23944	1.8
434.15112	3.4
434.19693	2.6
434.24417	6.3
435.12784	3.2
443.40579	1.5
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
51.05698	1.0
55.05512	2.3
61.02930	1.8
67.05517	5.7
69.03419	3.8
69.07069	3.1
70.41109	1.3
71.04977	1.4
78.03457	3.1
79.05496	4.9
81.07056	16.7
83.04959	1.2
83.08621	1.6
85.02900	13.3
91.05498	6.0
93.07047	16.6
95.08024	1.9
95.08601	25.0
97.02878	3.3
97.06516	1.2
98.23798	0.8
105.06342	1.8
105.07029	25.5
106.02914	5.3
107.08589	17.8
109.02905	1.5
109.06534	2.1
109.10155	11.6
110.74094	1.0
111.08063	1.4
117.07024	5.0
119.08575	16.6
121.10152	12.3
123.08105	1.1
123.11702	1.7
124.03941	10.6
125.09618	2.0
127.03903	2.8
130.07854	1.2
131.08553	18.7
133.10120	11.2
135.11708	11.5
145.04974	5.1
145.10124	34.6
146.10410	1.1
147.10727	1.0
147.11678	6.5
149.13286	3.8
159.11687	20.8
161.13264	11.5
163.05994	3.0
163.11188	3.6
163.14819	1.0
166.05017	1.2
172.12469	1.5
173.13248	8.9
175.14810	4.3
177.12743	1.7
180.08766	2.3
189.16379	40.2
190.16724	1.7
191.17978	3.8
201.16376	75.0
202.16705	2.9
203.17949	1.9
209.04442	4.8
219.17433	100.0
220.17821	2.7
226.07025	2.4
233.04527	0.9
237.18484	62.0
238.18820	1.4
272.93707	1.1
303.05283	1.1
381.22855	1.3
400.86478	1.1
432.00244	1.1
434.10648	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.9
57.03438	4.0
61.02911	2.6
67.05508	13.4
69.03422	7.8
69.07062	5.6
69.89982	2.4
70.47291	2.7
71.04973	6.4
76.56076	1.9
79.05483	11.2
81.03438	3.2
81.07064	27.8
83.08635	5.4
85.02904	29.4
91.05466	13.7
93.07054	22.8
95.04987	3.1
95.08607	34.0
97.02880	6.8
98.22782	2.3
105.07033	31.3
107.08591	35.5
109.02844	3.6
109.10166	22.9
117.07032	8.2
119.08578	24.8
121.06535	3.6
121.10139	20.8
123.08064	2.9
123.11655	6.3
125.09643	9.3
127.03924	6.0
127.11198	5.3
131.08556	21.0
133.10136	18.4
135.08040	2.6
135.11679	9.5
143.10646	15.5
145.04938	7.0
145.10135	45.3
147.11658	13.8
149.13240	5.4
151.11176	7.5
159.11707	28.3
161.13242	20.1
163.11177	3.4
167.14343	2.8
173.13264	11.1
175.14897	5.8
189.16426	6.1
191.17931	9.8
201.16389	90.4
202.16679	4.8
203.17918	27.0
219.17438	100.0
222.83086	2.1
229.99167	2.1
237.18462	38.6
248.69273	2.1
269.44766	2.4
273.12387	5.2
347.03293	2.3
412.68811	2.6
434.20819	2.2
435.20230	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.3
55.52218	1.7
57.07084	2.5
67.05491	12.6
69.07072	6.4
69.40675	9.5
71.04991	2.7
79.05482	10.2
81.07047	32.6
82.47287	1.9
83.04996	3.3
85.02914	10.6
91.05486	11.5
93.07049	26.7
95.04968	4.6
95.08601	31.7
97.02929	3.2
97.06525	3.6
105.07033	39.5
107.08595	29.4
109.10135	16.4
111.08086	3.6
117.07009	7.3
118.66744	2.2
119.08572	29.7
121.10148	20.6
123.11744	2.0
127.03917	3.1
131.08565	19.6
133.10118	14.5
135.11658	10.2
145.04997	4.0
145.10121	50.9
147.11691	14.1
149.09618	2.3
149.13264	6.8
159.11694	35.5
160.12054	2.8
161.13226	24.8
162.70752	1.9
163.06065	2.7
163.11163	4.5
163.14784	2.4
170.19403	1.8
173.13239	9.6
175.14690	4.6
179.14133	2.0
189.16412	9.5
191.17952	9.1
193.15892	2.3
201.16382	100.0
202.16751	3.6
203.17897	2.1
219.17439	66.2
237.18460	32.0
435.19662	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98609	0.8
53.03935	1.0
55.01871	1.8
55.05513	6.6
57.03183	1.5
57.03439	22.2
59.05001	1.1
59.89759	1.0
61.02939	5.9
65.03925	1.4
67.05505	4.0
69.03429	16.3
69.07071	1.4
70.30953	1.6
71.04996	10.9
73.02917	25.0
75.04483	100.0
79.05461	4.0
80.73146	0.8
81.03420	5.8
81.07061	11.5
83.04984	15.2
85.02906	81.1
86.03255	1.6
87.04482	6.4
91.03950	2.6
91.05483	77.7
92.05822	2.1
93.07046	11.1
95.04959	1.5
95.08607	12.0
97.02896	34.6
97.06522	1.1
97.22555	0.9
99.04477	5.1
99.08074	1.0
101.06031	7.0
103.03927	2.4
105.07031	35.3
106.07317	1.6
107.04939	0.9
107.08598	11.8
109.02879	6.9
109.06530	1.1
109.10154	7.9
111.04447	11.5
111.08076	2.0
113.69283	1.0
115.03931	8.0
115.05376	1.0
117.07035	6.7
119.08584	13.6
121.06509	1.2
121.10139	8.7
123.04378	0.9
123.08064	1.6
123.11684	2.0
125.09647	1.2
127.03918	19.3
129.05473	12.0
129.06998	2.3
131.08559	10.1
133.04948	6.4
133.06502	3.4
133.10118	5.1
135.11684	4.4
139.03938	1.3
143.08588	1.5
145.04959	28.3
145.06464	2.3
145.10121	17.8
147.06534	11.6
147.07982	1.7
147.11714	3.6
149.13249	2.4
150.07591	1.2
151.03888	0.9
155.08551	1.4
157.06520	2.2
157.10158	1.5
159.11687	12.0
161.04486	2.1
161.13251	9.4
163.06012	12.6
163.07370	1.6
163.11183	2.9
164.09184	2.3
173.13266	4.7
175.07599	1.7
175.14799	4.7
179.14322	3.3
180.08733	1.4
189.16383	3.0
191.17976	4.5
199.06041	2.4
201.16397	38.9
202.16762	1.1
217.07033	3.2
217.08783	2.1
219.10172	1.1
219.17445	37.8
220.17667	1.0
235.09631	1.6
237.07538	1.6
237.18494	12.7
243.67044	0.9
253.10728	3.7
255.08614	2.7
259.08127	2.2
273.09399	4.2
278.28134	0.8
291.10678	1.4
309.11667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.0
61.49098	2.5
67.05502	13.9
69.03429	2.6
69.07052	5.8
69.29706	13.8
71.04993	5.5
71.49809	3.2
79.05104	2.7
79.05488	17.5
81.07058	34.3
83.08607	4.4
85.02911	19.0
91.05447	17.5
93.07050	32.4
95.04950	4.1
95.08612	43.3
97.02907	3.8
97.06511	4.6
98.22680	6.3
101.54522	2.4
105.07031	42.8
107.08584	41.9
109.10159	29.4
111.08109	3.9
112.11828	2.4
117.06984	7.6
119.08575	29.7
121.10129	22.8
123.11695	5.2
125.09641	9.8
127.03914	3.2
131.08582	18.9
133.10141	33.8
135.11688	19.5
143.10667	10.5
144.09464	3.6
145.10120	38.7
147.11610	13.8
149.13275	11.6
151.11182	5.0
159.11674	33.0
161.13245	21.1
163.11176	11.8
167.14302	17.1
173.13263	32.5
175.14845	6.9
189.16316	4.6
191.17940	8.9
201.16379	68.4
202.16687	3.7
207.17342	4.7
219.17444	100.0
220.17854	4.9
237.11230	9.9
237.18492	25.2
243.99648	2.6
435.19485	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	434.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	5.1
67.05499	7.3
69.07057	14.0
71.74809	4.1
81.07062	6.8
83.08605	6.3
89.06004	5.6
108.40546	5.3
121.23136	4.7
123.04432	100.0
149.05971	11.9
161.05998	13.9
165.05472	17.3
175.07481	6.3
189.09088	19.7
191.10760	12.6
201.39014	4.6
203.10628	14.3
207.06522	10.7
217.12231	10.6
233.11694	7.6
238.93651	4.8
315.23166	33.3
357.24365	34.2
375.25146	6.2
434.28839	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49355	21.9
69.17328	48.3
69.17737	100.0
73.91377	21.7
74.10208	24.2
91.04459	24.3
91.25114	26.8
103.14847	21.1
213.34129	25.9
271.29709	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	434.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90204	48.8
69.49061	81.8
69.49438	100.0
86.09698	52.2
137.05981	96.6
204.02304	42.6
221.22569	44.0
390.15561	56.5
409.57471	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	434.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41234	0.9
52.50810	1.1
55.05518	2.8
55.83055	1.0
63.24896	1.1
69.07074	4.3
83.08614	1.3
125.05978	1.2
137.05981	100.0
138.06308	2.2
161.09625	3.3
179.07071	2.1
197.66180	1.1
293.42154	1.0
307.58759	1.2
315.26736	4.3
333.27875	82.7
334.28177	4.0
375.28964	19.8
376.29175	1.6
434.32608	11.1
435.33032	1.3
454.62067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25818	0.4
55.05511	5.1
57.07067	1.9
63.87889	0.5
65.03925	0.4
67.05502	2.5
69.07068	6.9
69.35714	1.6
71.08636	0.8
79.05484	1.8
81.07054	5.4
83.08614	4.5
85.10149	0.6
90.83048	0.5
91.05467	2.0
93.07056	1.6
95.08607	3.9
97.06551	0.5
97.10173	2.7
107.08612	0.8
109.06504	1.3
109.10180	1.2
111.11752	1.2
121.06545	1.0
121.10133	1.3
123.11727	0.7
125.05971	1.6
127.08176	0.4
135.08090	0.5
135.11681	0.7
137.05975	100.0
137.13260	0.5
138.06277	2.7
139.07538	1.0
140.40700	0.5
147.08073	0.5
151.03920	0.9
151.07553	1.3
153.05515	0.6
160.05136	0.6
161.05948	1.0
163.07516	8.2
165.09103	0.5
167.06969	0.6
175.07544	8.8
177.09061	2.7
179.07031	5.9
189.09103	4.3
191.10753	0.9
193.08633	1.9
203.10658	11.4
205.08746	0.4
205.12234	3.9
217.12245	7.2
219.13786	1.6
219.20966	0.6
231.13786	3.0
245.11732	1.7
249.97650	0.5
259.13333	1.2
273.15213	0.5
289.21494	0.6
357.27835	22.5
358.28140	1.7
375.28922	10.1
376.29343	0.6
399.28915	3.0
408.15933	0.5
417.29718	2.8
434.32779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50895	13.2
67.15983	14.1
69.22598	100.0
88.03206	15.4
89.06043	31.2
102.59380	14.5
152.19054	14.6
174.06012	14.6
213.97699	15.7
272.27670	16.5
295.24890	17.3
346.60797	15.6
387.81210	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	435.2381
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
50.58877	0.8
53.03931	1.3
55.05500	3.6
57.07071	9.1
65.03933	1.5
67.05167	0.9
67.05508	11.5
68.99786	3.7
69.07071	5.8
69.45065	2.0
69.45461	1.6
71.08626	5.5
79.05489	7.4
81.07056	15.8
83.05007	1.1
83.08611	2.8
85.10185	1.9
91.05482	7.0
93.07049	10.9
95.04971	3.3
95.08597	10.2
103.05441	1.0
105.07014	5.2
107.04967	3.2
107.08593	8.1
109.06520	1.5
109.10147	3.8
111.04443	11.1
117.07016	2.1
119.08571	3.7
121.06528	6.1
121.10154	4.4
123.04426	43.4
123.08072	1.9
125.05978	1.8
131.08572	4.2
133.06497	1.3
133.10147	2.7
135.04413	3.6
135.08028	3.1
135.11684	4.0
135.37398	0.9
137.02339	4.0
137.05963	9.7
139.03885	3.2
143.08531	0.9
145.10112	3.0
147.11665	1.4
149.05975	40.2
149.09619	2.4
149.13249	2.4
150.06242	1.4
151.07599	1.7
159.08031	3.6
159.11665	2.0
163.07549	14.6
163.11156	1.2
165.09068	1.3
173.09634	2.4
176.12813	1.1
177.09122	4.1
177.12717	1.1
187.11224	1.7
191.10693	2.7
201.12686	1.0
205.12190	1.8
232.37813	1.1
261.18503	1.1
275.16315	1.6
282.81342	0.8
289.18100	1.7
317.13882	1.4
325.13324	1.0
325.19989	4.8
325.41257	1.1
399.21606	12.0
417.22714	100.0
418.22849	7.0
434.38260	2.2
435.38608	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.60145	0.9
55.01875	1.0
55.05257	1.3
55.05510	16.5
57.03436	10.6
57.07083	4.6
57.24501	0.8
58.63588	0.9
65.03963	1.3
67.05506	43.4
69.07068	17.4
69.52727	3.2
71.05000	1.7
71.08630	2.3
74.37505	0.9
79.05486	11.6
81.07056	46.9
82.07401	1.1
83.05022	1.3
83.08617	10.9
85.06542	1.2
85.10162	1.4
91.05476	7.9
93.07049	12.6
95.04958	1.5
95.08607	35.2
97.06533	4.1
97.10161	5.9
98.23051	3.4
98.98465	53.4
105.07000	6.5
107.08607	7.1
109.10148	16.5
111.08105	2.1
111.11744	1.0
119.08576	6.4
121.10152	6.8
123.08003	1.5
123.11694	6.2
125.66879	0.9
133.10098	5.1
135.11732	4.5
137.09657	1.2
137.13251	3.4
147.11697	3.4
149.13255	3.9
151.14827	3.1
155.01033	24.8
161.13261	2.9
163.14799	2.3
165.12849	1.4
165.16397	1.6
173.02106	7.9
175.14857	2.7
189.16431	1.3
193.80602	0.8
220.22064	0.9
245.22673	10.1
263.23688	20.2
337.27362	100.0
338.27625	4.9
411.20120	1.0
435.23389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2506
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05511	15.7
57.03439	11.9
57.07074	4.8
58.38599	0.8
65.03943	1.3
67.05505	41.0
69.06714	1.3
69.07066	22.6
71.05003	1.0
71.08619	1.9
76.32760	0.8
79.05492	13.2
79.27460	0.8
81.07053	48.0
83.08620	14.2
83.28042	0.9
85.06542	2.1
91.05470	8.4
93.07047	14.3
95.04932	1.5
95.08604	38.0
95.09219	1.9
97.06521	2.8
97.10170	6.6
98.98462	50.1
99.08081	1.2
105.07024	5.6
107.08590	6.6
109.10161	16.3
111.08102	2.2
111.11714	1.5
119.08590	5.7
121.10149	7.4
121.27345	0.9
123.11700	6.4
129.85104	0.9
133.10156	6.3
135.11691	3.1
137.09647	0.9
137.13237	3.0
147.11674	4.2
149.13226	4.0
151.14842	2.7
155.01038	25.7
161.13255	2.7
163.14784	2.0
165.12668	0.9
165.16368	2.9
167.14342	1.0
173.02092	7.7
175.14816	3.0
179.18054	0.9
245.22655	9.8
263.23697	21.8
264.24124	1.4
266.13547	0.9
281.67471	1.0
336.85104	0.9
337.27350	100.0
338.27621	8.6
341.32611	0.9
385.99088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05511	16.4
57.03439	11.6
57.07076	4.3
67.05502	43.7
69.07063	19.1
71.04972	1.1
71.08622	1.7
71.20148	1.3
77.70940	0.9
79.05483	11.2
81.07053	46.0
83.08611	12.6
85.06569	1.8
86.61755	0.9
91.05470	8.1
93.07045	11.4
95.04980	1.5
95.08601	41.1
97.06531	2.7
97.10164	7.4
98.23208	1.1
98.98463	59.0
99.08121	1.4
105.07039	5.7
107.08604	6.6
109.10156	14.7
111.08059	1.6
111.11668	1.1
113.09676	1.1
119.08562	5.2
121.10129	8.3
122.77945	0.9
123.08008	1.2
123.11719	7.9
133.10144	5.6
135.11668	4.9
137.09607	1.3
137.13261	3.2
147.11690	3.6
149.13237	3.7
151.14827	3.0
155.01035	29.1
161.13254	3.7
163.14806	3.6
165.16391	1.3
173.02080	8.3
175.14789	2.5
189.16229	1.4
245.22554	8.9
263.23694	20.8
263.26373	1.6
264.23938	1.5
337.27350	100.0
338.27679	5.0
435.22934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01871	2.3
57.36586	0.8
60.20121	0.8
61.02905	0.9
62.25797	0.7
65.03938	7.0
68.99797	3.4
69.03423	3.5
70.27448	1.6
73.02933	1.0
81.03424	2.9
83.04978	3.1
85.02904	12.7
87.00829	3.5
93.03431	4.1
94.04350	0.9
97.02905	4.6
99.04446	1.5
105.01897	4.5
107.04945	1.6
109.02873	4.2
111.03669	1.5
111.04440	30.2
112.04758	0.9
121.02941	1.1
121.03986	3.7
125.05976	1.1
127.03891	8.4
133.06505	0.9
139.03899	87.6
140.04231	2.3
145.04942	5.5
145.06560	1.0
147.02859	1.2
151.03903	16.3
151.05043	1.6
159.02875	2.8
161.06023	1.2
163.03874	3.3
171.06522	100.0
172.06866	3.1
177.05476	1.5
179.07034	1.5
181.04956	2.2
189.03925	1.6
192.87080	0.8
193.08542	1.1
195.06523	8.0
213.07559	7.9
221.08089	1.4
231.05016	2.3
237.07504	4.9
239.09198	3.0
239.16486	2.3
243.08722	2.4
257.10339	1.1
261.07553	2.8
279.08606	4.2
297.32501	0.8
351.59613	0.9
365.08743	1.0
436.19202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
55.01871	9.3
57.03437	14.6
59.04991	2.4
61.02918	9.2
65.03952	4.0
68.99794	4.6
69.03065	3.6
69.03426	62.4
69.07060	2.5
69.24490	11.8
71.04992	5.0
73.02915	20.0
81.03414	34.1
81.07059	2.4
83.04996	3.8
85.02902	100.0
85.06522	3.9
87.00838	30.4
87.04472	14.2
88.05397	1.9
91.03951	3.2
93.03428	3.5
93.07033	2.0
95.04957	2.9
96.58801	2.0
97.02261	3.9
97.02887	74.9
97.03490	4.4
98.06081	2.1
99.04451	14.2
105.01863	26.2
105.07020	2.3
107.04943	10.0
107.08569	3.4
108.04475	8.6
109.02873	31.9
109.06504	4.7
111.04443	18.3
115.03917	29.9
117.01874	5.4
126.05531	3.8
127.03908	55.7
129.01828	5.4
130.67363	2.2
133.04962	20.0
135.04405	3.9
137.02330	9.0
139.03906	50.6
145.04948	29.5
147.02855	4.7
150.07629	11.3
155.03374	11.3
157.04971	3.6
159.02882	20.0
163.03900	15.9
165.05516	2.5
167.10703	3.5
169.04956	2.7
171.06531	66.9
175.05942	2.5
181.05014	10.0
189.03981	4.8
195.06540	27.0
207.06425	3.1
211.06017	7.2
213.03917	2.5
213.07547	24.4
221.15388	6.1
229.07141	7.4
230.06628	3.9
231.04924	12.2
233.08084	3.8
237.07585	16.3
239.16425	22.6
247.08195	5.4
248.07700	3.9
261.07642	10.1
279.08612	19.2
289.62958	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	436.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01867	2.0
55.05510	1.9
57.03431	2.7
58.99583	1.1
60.04530	1.1
61.02937	2.1
63.82639	0.9
67.05507	1.6
69.03434	5.9
69.07045	1.3
71.01351	1.1
71.04986	1.0
72.95078	0.7
73.02912	5.4
76.02225	1.9
79.05490	3.3
81.03430	1.3
81.07058	3.9
83.04979	1.1
84.04490	2.3
85.02905	12.0
85.06541	3.7
87.04451	1.7
87.05626	1.0
88.03973	1.0
91.05499	1.8
93.07046	1.8
95.01354	0.9
95.04411	0.8
95.04964	4.2
95.08604	2.2
97.02917	6.2
97.06551	1.0
98.09674	1.1
98.81552	0.9
100.02251	0.9
105.07034	2.3
106.05089	1.1
107.04952	49.5
107.08616	3.0
108.05289	1.4
109.02889	1.2
109.06512	5.5
109.10172	1.7
113.05991	2.0
115.03944	3.0
118.60299	0.8
119.08573	2.9
121.06464	1.0
121.10148	1.5
123.04407	1.1
123.08083	2.4
127.03922	3.1
128.01628	0.8
129.98218	0.8
133.04962	1.6
133.10104	1.7
135.08017	1.0
135.11694	1.0
137.09619	1.0
141.01830	3.5
141.05510	1.5
145.04945	2.1
146.02763	1.3
151.03905	100.0
151.04915	4.5
152.04240	2.4
156.08435	2.9
157.06786	1.2
167.10687	3.9
172.31023	1.0
174.09508	1.9
177.09102	29.1
191.14354	1.2
192.03201	1.7
193.04964	1.2
209.05682	1.1
216.91115	1.0
221.11765	6.3
221.15335	3.0
225.07565	1.6
239.16423	42.0
239.18869	2.1
243.08633	11.4
243.52730	0.9
257.10330	1.2
257.13983	1.7
289.12134	10.4
296.11499	0.9
331.13318	1.6
389.54666	0.9
401.21768	1.8
423.85458	1.0
436.17313	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
69.03412	2.2
79.05470	1.8
81.03408	1.6
81.07045	0.8
84.09353	0.6
85.02905	4.8
91.05480	1.9
95.08592	1.6
97.02878	2.3
99.04432	0.8
101.02722	0.5
105.03396	1.1
105.07018	0.9
107.04932	1.0
109.02841	0.8
109.06520	5.1
109.10147	0.9
119.04919	1.1
119.08584	0.8
123.04420	0.8
123.08062	1.6
125.05999	1.3
127.03923	1.0
137.05974	20.0
138.06755	2.0
139.03929	1.2
143.07005	0.8
145.04948	2.0
147.11650	1.3
151.07553	3.4
154.06232	5.1
155.07025	1.2
162.66327	0.6
165.05466	2.7
167.03403	11.6
167.07141	0.7
169.08594	4.8
177.05414	0.9
179.06990	5.2
181.04944	3.2
182.05745	39.4
183.06099	1.0
192.04150	2.4
192.44218	0.6
193.04942	1.3
196.07304	12.3
197.08084	57.7
198.08406	1.8
203.17929	3.3
203.80971	0.7
207.06523	46.8
208.07115	2.9
210.05130	0.9
211.09627	4.1
221.08072	0.7
221.19009	2.7
224.06863	0.7
239.09129	100.0
240.09464	3.8
243.12354	0.8
249.40054	0.7
257.10208	12.9
358.54745	0.7
409.83499	0.8
423.63440	0.7
437.14612	0.7
437.21512	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31012	0.7
51.73972	0.6
53.03942	0.7
55.05504	0.8
57.07045	0.8
58.08308	0.7
59.65340	0.6
61.02927	0.9
63.79636	0.7
65.46340	0.6
67.05498	1.0
68.99814	0.8
69.03422	2.1
69.51716	2.3
71.04999	1.3
79.05494	1.6
81.03403	1.0
81.07041	2.9
85.02914	7.8
85.86861	0.6
91.05467	2.2
93.07033	2.0
95.04966	0.9
95.08585	3.3
95.42293	0.7
97.02881	2.1
105.03391	1.6
105.07042	2.3
107.04926	0.9
107.08581	2.0
109.02890	1.4
109.06516	5.9
109.10137	3.0
119.04919	1.0
119.08570	2.7
121.02907	1.1
121.10149	1.8
123.04417	0.7
123.08073	3.3
123.11707	0.9
125.06060	1.0
127.03922	1.2
132.95828	1.3
133.10117	1.2
135.11725	1.0
136.05228	1.1
137.05975	26.8
138.06825	3.3
139.03882	1.9
139.07634	0.7
141.09061	0.7
145.04927	1.3
147.11702	3.2
149.02342	0.9
149.13249	2.6
151.07538	6.9
154.06256	5.7
155.07059	0.9
158.97433	1.1
161.13264	1.7
165.05478	3.5
167.03391	14.3
169.08647	4.5
176.98375	0.7
179.07027	5.5
181.04950	3.4
182.05751	49.2
183.06123	1.1
186.96817	0.8
187.09546	1.1
190.27327	0.7
192.04077	3.7
193.04944	0.9
196.07300	15.6
197.08087	75.1
198.08432	1.8
203.17992	6.4
207.06525	54.9
208.07193	3.1
210.05368	0.9
211.09673	5.6
219.17601	0.8
221.19016	8.9
224.06708	1.0
225.07570	0.9
228.05957	0.7
234.99031	2.3
239.09143	100.0
240.09457	3.6
243.12233	1.5
257.10193	12.9
268.08292	0.9
297.36386	0.6
305.06845	1.2
323.08069	0.7
437.23590	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01867	3.0
55.05498	1.2
56.05027	0.7
57.03438	6.5
57.07049	0.6
58.99566	1.0
60.04498	0.7
61.02920	2.5
65.03931	0.8
67.05511	3.0
69.03429	9.4
69.07076	1.7
70.25053	1.2
71.05010	0.9
73.02920	10.5
76.02227	1.9
77.03950	0.9
79.05481	6.1
81.03416	2.2
81.07065	4.2
83.04967	1.2
85.02404	1.1
85.02908	18.4
85.06543	6.8
87.04480	1.5
88.04064	0.6
91.05516	0.8
93.07038	2.7
95.04977	5.2
95.08608	3.0
97.02894	11.0
97.06515	1.2
98.09708	0.7
98.23385	1.0
99.04433	1.4
105.04494	0.9
105.07034	3.9
107.04956	100.0
107.08595	6.2
108.05304	2.4
109.02898	1.9
109.06528	9.8
109.10170	3.4
111.08114	1.1
113.05991	4.1
115.03923	5.7
117.07005	0.7
119.08557	4.6
121.06518	2.1
121.10143	3.8
123.08068	1.7
125.06019	1.4
127.03905	3.5
131.04974	0.8
131.08580	1.1
133.04994	1.5
133.10120	4.6
135.08047	3.0
135.11707	2.1
137.09644	1.7
139.03883	0.9
139.07568	0.7
141.01793	1.4
143.08594	0.7
145.04993	3.2
145.06516	0.8
145.10158	1.8
149.05969	0.8
149.09615	1.3
149.13289	0.9
150.07625	1.3
151.03906	44.3
151.04921	2.0
152.04256	0.8
156.08443	2.1
157.06792	0.7
159.11674	0.6
161.09665	0.8
161.13275	1.4
163.11188	1.5
163.14787	0.9
165.09081	1.0
167.10684	5.5
174.09402	1.3
175.14803	1.1
177.09119	7.1
181.12276	1.8
191.07050	2.4
191.14383	2.1
195.06526	0.9
209.15492	1.8
221.11783	2.2
221.15326	5.5
233.07872	0.7
239.16412	69.0
240.16768	1.4
243.08641	6.3
246.07863	0.8
257.10101	1.4
257.13794	0.8
260.12100	0.7
289.12112	4.8
295.10239	2.3
327.06982	0.7
331.13101	0.8
375.95233	0.7
401.21722	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	436.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01876	0.3
57.03423	0.9
61.02920	1.0
66.44850	0.3
67.05493	0.5
68.94305	0.3
69.03429	2.7
69.07054	0.9
71.04987	1.0
72.27727	0.3
73.02914	0.4
77.08106	0.2
78.61224	0.3
79.05492	1.0
81.03411	1.4
81.07063	1.5
85.02905	12.9
87.00824	0.5
87.04471	0.4
87.82708	0.3
90.52197	0.3
91.03934	0.3
91.05467	0.8
93.07058	2.3
95.04949	0.7
95.08593	1.1
95.18030	0.3
97.02888	3.8
97.06531	0.4
99.04470	0.7
104.07142	0.4
105.01864	0.5
105.04522	0.3
105.07077	0.6
107.04953	100.0
107.08601	1.9
108.05272	2.5
109.02891	1.4
109.10188	0.7
117.06984	0.5
119.08580	0.8
120.04364	0.4
121.10126	0.4
127.03913	3.1
135.11685	2.1
145.04976	3.0
145.06450	3.0
147.85646	0.3
149.05847	0.3
151.07573	0.6
153.12738	4.5
161.13239	0.3
163.06012	0.3
163.07509	0.5
180.08676	0.9
221.19031	0.4
231.05081	0.5
235.72031	0.3
239.10649	15.4
240.11011	0.8
249.06348	0.5
257.11722	11.6
258.12051	0.9
272.21643	0.3
418.22015	0.4
436.19577	0.9
437.21713	1.1
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
54.40141	0.5
55.05508	1.3
57.07070	0.5
59.04997	1.1
67.05521	0.9
69.03420	1.6
69.07065	1.8
69.55336	0.5
71.04993	12.6
71.74068	0.5
73.02887	0.4
73.06570	3.4
79.05489	3.3
81.03404	1.4
81.07058	15.2
82.09740	0.5
85.02914	4.3
87.00826	2.2
90.58319	0.5
91.05480	1.3
93.07048	11.6
95.08617	1.3
97.02886	1.8
97.06535	1.3
105.01889	2.8
107.08602	9.8
109.10159	1.5
109.23003	0.6
127.03962	2.9
135.11693	19.3
145.04939	1.3
153.12744	100.0
154.13083	3.2
231.04994	0.9
249.05988	1.0
284.94562	0.5
364.63522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
54.84344	3.3
55.01857	5.2
55.05519	8.4
57.03444	4.6
57.07094	3.1
62.99623	3.1
67.05502	6.3
68.99800	3.6
69.03436	19.8
69.07057	6.8
69.64422	13.9
71.04982	8.5
73.02895	6.1
79.05498	12.1
81.03412	18.4
81.07047	20.3
85.02901	53.2
87.00832	22.5
91.05476	17.2
93.07037	74.6
95.04971	5.8
95.08615	18.5
97.02894	24.8
99.04460	8.1
105.01859	26.5
105.07050	15.0
107.08598	100.0
109.02863	22.1
109.06516	4.2
109.10164	5.4
115.04007	3.8
119.08607	4.0
127.03899	39.9
131.01831	3.4
131.22568	3.9
135.11687	82.6
137.13229	6.9
145.04944	24.8
145.10083	3.5
147.11688	5.1
153.12726	8.3
159.02899	15.2
159.11765	5.2
165.12715	3.9
221.19055	3.3
221.82774	3.6
231.05002	8.4
239.16391	3.8
339.70853	4.0
436.12964	6.9
437.21457	9.6
437.80261	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20299	0.5
55.05503	1.6
57.07093	0.5
59.04996	1.1
63.23730	0.6
67.05484	0.7
69.03422	1.2
69.07053	2.6
69.71249	0.6
69.71602	1.8
71.04990	10.8
73.06565	3.7
79.05495	4.0
81.03429	1.0
81.07053	19.5
85.02903	4.8
87.00806	2.4
91.05480	1.7
93.07038	12.6
95.05032	0.6
95.08606	3.6
97.02883	2.0
97.06548	1.0
98.22816	0.9
105.01887	2.8
105.07042	2.6
106.02192	0.7
107.08599	10.1
109.10165	3.5
111.08047	0.8
119.08593	1.0
121.10197	1.0
123.08040	0.8
123.11641	0.6
127.03909	2.3
130.78062	0.5
131.11226	0.6
133.10120	1.6
133.33774	0.5
135.11688	20.6
145.04994	1.3
146.85863	0.5
147.11684	1.9
153.12738	100.0
154.13100	3.2
159.02901	0.5
159.79216	0.5
160.15729	0.5
161.13307	1.0
171.26395	0.6
196.07489	0.6
203.17949	7.1
205.02425	0.6
221.15613	0.6
221.19038	6.0
238.22188	0.7
243.48886	0.6
267.40460	0.6
331.32062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01867	1.7
55.05519	2.4
55.40529	0.8
57.03437	3.0
57.07075	1.0
59.05009	4.3
61.02929	1.4
61.54364	0.7
65.03938	1.0
67.05509	6.6
68.99751	0.9
69.03426	8.8
69.07079	3.8
70.09859	2.3
71.04991	2.8
73.02925	2.4
77.03933	1.0
79.05500	6.5
81.03425	3.1
81.07055	4.9
84.08141	1.4
85.02907	24.9
86.06821	0.7
87.00834	11.2
91.05477	12.3
93.07048	70.9
94.07393	2.1
95.04990	3.1
95.08609	59.6
96.08955	1.4
97.02904	11.0
97.06552	2.5
99.04457	3.3
105.01871	21.5
105.02540	1.4
105.04520	1.5
105.07040	9.4
106.19904	0.8
107.04934	5.5
107.08595	72.5
108.04471	0.9
108.08926	2.3
109.02892	5.2
109.06538	2.0
109.10151	6.0
119.08571	12.1
121.06525	1.2
121.10164	3.4
123.08089	2.0
123.11692	4.1
127.03922	15.0
129.33514	0.7
131.08672	0.9
133.10141	4.6
135.11694	100.0
136.12076	3.9
137.09630	1.1
137.13298	1.8
138.44902	0.8
140.34492	0.8
145.04950	9.8
145.10165	1.6
147.11691	16.3
149.13287	1.2
153.09152	5.9
153.12740	15.0
159.02914	3.6
161.13283	3.1
170.15414	2.3
171.10161	2.5
203.17958	38.4
204.18266	2.3
221.15544	1.6
221.18954	5.4
231.04950	4.5
239.16475	2.4
239.20152	2.2
241.12021	1.1
249.06070	4.7
252.54874	0.8
284.09604	1.1
304.05386	2.5
393.11932	1.1
436.20071	1.9
437.10236	1.2
437.21603	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.7
55.01871	7.7
55.05511	11.2
57.03432	5.3
57.07084	4.3
61.02932	8.5
67.05509	16.0
67.05816	3.0
69.03429	37.7
69.07070	9.7
70.42281	5.0
71.04988	8.8
72.02450	2.2
73.02924	4.8
75.71795	2.6
79.05507	19.2
81.03424	29.1
81.07060	97.2
83.08624	12.4
85.02902	88.1
85.06565	7.5
87.00832	43.2
87.01332	3.8
91.05471	26.6
92.59772	2.4
93.07047	94.6
94.07393	4.3
95.04978	8.3
95.08607	42.9
97.02891	48.2
97.06541	4.7
99.04469	13.4
105.01864	77.8
105.02538	5.0
105.04514	2.8
105.07047	12.1
106.02932	3.4
107.08591	100.0
109.02891	23.9
109.06539	6.7
109.10164	8.2
111.08077	5.3
113.81908	2.9
115.03954	7.5
119.06111	2.6
119.08585	10.5
121.02877	3.2
121.06525	3.4
121.10172	3.7
123.04415	4.4
123.08064	9.9
123.11749	2.7
124.04009	6.0
125.04333	2.7
125.09634	2.5
127.03909	68.3
131.08556	2.9
133.10132	6.9
135.11690	62.4
137.09619	5.0
137.13257	35.0
139.03877	3.8
145.04961	35.3
145.10120	6.6
147.11720	2.7
149.05937	3.2
151.07576	3.9
151.11130	3.1
153.09048	3.2
153.12766	7.0
159.02878	11.3
161.04536	4.9
161.13315	3.4
165.09088	6.1
181.08527	5.9
189.03952	2.6
203.17999	4.5
207.13739	3.3
213.03992	3.7
221.11775	4.3
221.18999	4.4
231.05035	21.5
239.12759	16.6
249.06084	10.2
257.14001	4.0
275.90698	2.3
283.02054	2.4
380.71732	2.7
436.11444	6.3
436.20129	5.5
437.21564	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	436.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01863	2.5
55.05501	0.8
57.03425	1.5
57.07068	0.9
59.89981	0.7
61.02910	2.2
64.66948	0.7
65.03932	0.8
67.05525	4.1
69.03425	5.5
69.07077	3.4
71.04983	1.8
71.42546	0.8
72.42197	0.7
73.02915	1.3
79.05489	2.4
81.03405	2.5
81.07047	5.7
82.09375	0.8
83.04984	1.8
83.08602	0.8
85.02907	14.4
85.06557	7.0
87.04475	1.3
91.05462	2.4
93.07040	4.9
95.04949	5.2
95.08603	3.7
97.02882	6.0
99.04428	0.9
105.07041	5.9
107.04950	3.0
107.08601	7.1
109.02895	1.3
109.06523	13.5
109.10157	3.6
111.04474	1.0
111.08047	0.9
113.06001	6.3
119.08574	5.5
121.06492	1.8
121.10153	5.4
123.04442	0.8
123.08067	2.6
127.03925	2.7
129.05455	1.1
131.08524	1.7
133.10121	6.9
135.08066	4.0
135.11697	3.3
137.09608	2.3
139.03886	1.5
139.94200	0.8
141.01854	1.1
141.05251	0.7
145.04924	3.2
145.10115	2.3
147.07986	1.1
147.11659	1.2
149.09566	1.6
149.13269	1.0
151.03914	20.9
151.07466	0.9
151.11156	1.4
159.11693	1.0
161.09666	0.7
161.13254	3.0
163.11171	2.2
163.14795	1.1
165.09029	0.7
167.10681	9.6
171.06422	0.9
173.13239	1.3
175.14865	1.2
179.07018	2.2
179.14346	0.7
181.12242	1.5
185.13139	1.6
191.14296	3.1
203.14395	1.5
209.15396	2.3
221.08113	3.1
221.15367	8.4
225.07532	0.8
239.16417	100.0
240.16806	3.5
243.08775	3.3
401.21692	5.2
436.19534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.1
57.03411	1.2
59.04995	2.0
63.00571	0.7
67.05508	4.4
69.03416	4.9
69.07061	3.0
69.17753	3.0
69.18163	1.3
71.04988	1.5
73.06557	9.1
79.05489	5.7
81.03412	1.0
81.07049	9.7
83.04972	1.2
83.08620	1.0
85.02908	4.3
85.06550	2.0
91.05476	4.6
93.07043	8.4
95.04944	1.2
95.08606	7.5
97.02892	6.5
97.06508	1.3
99.08054	1.1
103.03965	0.9
104.81473	0.8
105.07032	8.2
106.79161	0.7
107.04942	4.3
107.08598	6.0
108.05710	0.8
109.06510	1.9
109.10158	3.6
111.08098	5.9
113.09625	0.7
117.07033	0.9
119.08567	7.7
121.06523	2.9
121.10115	4.2
123.08064	1.9
123.11743	1.0
125.06018	1.9
125.09623	1.6
127.03899	7.8
129.05470	38.0
131.08588	1.0
133.06480	1.5
133.10095	4.3
135.11734	0.9
137.05984	3.8
137.09593	1.9
139.07530	1.9
143.07133	1.1
147.08025	1.9
147.11705	0.9
151.07542	1.7
151.11218	0.9
153.09096	1.1
155.06943	0.9
161.13242	14.3
162.13727	0.8
163.14836	2.3
165.09117	1.0
174.19698	0.8
178.13524	29.8
179.14252	3.0
189.12761	4.7
193.15881	4.9
195.17445	1.3
203.05261	1.1
207.13800	6.7
211.16939	2.4
221.15300	4.2
222.30902	0.8
239.16402	100.0
240.16803	2.8
257.17447	8.9
308.55286	0.8
391.17328	2.2
409.18292	6.2
436.20303	11.1
437.21570	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	436.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01875	4.5
55.05511	3.0
57.03427	4.9
57.07071	1.9
61.02898	2.3
62.60740	0.8
65.03910	1.0
67.05510	4.7
67.86625	1.0
69.03432	19.3
69.07071	5.9
69.09144	5.4
71.04977	2.1
72.69420	0.9
73.02919	4.2
77.91124	0.8
79.05490	3.5
81.03417	5.2
81.07054	7.5
83.04992	6.7
85.02906	28.4
85.06543	15.7
87.00831	3.3
87.04463	3.7
91.05495	3.7
93.07053	5.5
95.04967	5.4
95.08612	5.6
96.58237	1.0
97.02891	21.9
97.06501	2.3
98.23512	1.9
98.97579	1.0
99.04452	1.8
99.08098	1.0
105.01847	2.6
105.07017	10.0
107.04974	2.9
107.08611	10.0
107.17058	0.9
109.02873	5.1
109.06516	10.8
109.10164	5.0
111.04422	3.9
111.11703	1.8
113.05997	4.0
115.03944	10.0
117.07059	1.1
119.08589	10.4
121.06504	2.0
121.10150	7.5
123.08066	4.0
125.09632	1.1
127.03905	7.9
129.05487	2.2
131.08606	2.2
133.04973	7.3
133.10130	12.7
135.04469	0.9
135.08069	6.3
135.11693	4.8
137.02354	2.6
137.09618	3.1
139.03900	11.5
145.04982	5.8
145.10121	3.9
147.11641	1.7
149.09639	1.8
149.13213	1.5
150.07632	4.2
151.03899	11.3
155.03412	5.0
159.02933	1.0
159.11571	1.3
161.09566	1.9
161.13242	4.3
163.03958	1.8
163.11165	4.0
163.14755	2.2
165.01874	1.1
165.05351	1.0
166.11555	1.0
167.03391	2.5
167.10655	5.9
168.03792	1.2
171.06546	10.1
173.13255	2.8
175.14787	2.3
177.05469	5.6
179.14244	1.1
181.04976	1.1
181.12257	2.3
185.13248	1.7
191.14320	3.9
193.04915	1.3
195.06554	3.1
203.06886	1.4
203.14355	2.6
209.15385	6.6
211.05969	1.7
213.07605	2.0
221.08076	3.4
221.15366	28.5
229.07100	2.7
231.04988	1.5
237.07594	2.0
239.16412	100.0
240.16779	5.1
247.08194	1.0
279.08444	1.4
364.32101	1.1
401.21713	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01868	2.7
55.05507	1.8
56.96566	0.6
57.03436	6.2
57.07074	1.1
58.99584	1.0
60.04513	0.7
61.02917	3.1
67.05511	3.4
69.03432	9.0
69.07056	1.9
71.01339	1.4
71.04980	1.5
73.02921	9.9
76.02238	1.5
77.03912	0.8
79.05499	6.5
81.03416	2.0
81.07075	3.7
83.04974	1.3
84.04505	1.9
85.02905	17.2
85.06544	5.7
86.03255	0.7
87.04455	1.4
91.05488	2.4
93.07052	3.4
95.01330	0.9
95.04969	4.8
95.08599	3.5
97.02892	10.5
97.06556	1.4
98.09745	0.8
99.04454	1.0
105.04524	1.3
105.07012	4.2
107.04954	100.0
107.08584	5.9
108.05298	2.3
109.02896	1.7
109.06526	11.5
109.10184	3.3
111.08083	1.7
113.04163	0.8
113.05977	4.6
114.37402	0.6
115.03944	7.1
117.06994	0.7
119.08588	5.3
121.06499	1.6
121.10143	2.9
123.08066	2.6
123.99307	0.7
127.03912	4.6
131.08575	1.2
133.04984	1.4
133.10132	4.6
135.08072	3.3
135.11676	1.9
137.09637	1.6
139.03899	0.9
141.01793	1.1
141.05489	1.1
143.08684	0.7
145.03958	0.6
145.04913	3.8
145.10110	1.8
146.02728	1.2
147.11661	1.1
149.05994	1.1
149.09645	1.3
150.07607	1.0
151.03911	63.6
151.04948	2.8
151.11171	1.2
152.04228	2.5
156.08466	1.7
157.06805	0.9
157.10132	1.0
161.09612	1.2
161.13242	2.2
163.11145	1.9
163.14803	0.9
165.05647	0.7
167.10678	6.8
169.04810	0.8
173.13261	1.5
174.09431	1.1
177.09109	10.2
179.14389	0.9
191.07051	2.3
191.14322	2.6
192.03316	1.2
195.06506	1.2
203.14278	1.2
209.15408	3.1
221.11729	2.2
221.15361	5.4
225.07562	1.4
239.09239	2.3
239.16415	77.1
240.16725	2.9
243.08641	8.4
257.10443	0.8
257.13824	0.9
260.12146	0.7
289.12158	7.1
295.10233	2.1
401.21835	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	436.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.9
57.03442	6.4
57.07072	6.6
61.29816	4.2
66.38758	4.0
67.05506	27.6
67.84309	3.6
69.03432	8.6
69.07068	42.7
69.30871	4.0
71.04980	8.9
79.05480	19.8
81.07052	80.7
83.04971	11.1
83.08617	15.7
85.02902	29.2
85.06544	4.3
91.05485	18.8
93.07037	33.2
95.04965	9.3
95.08607	94.1
97.02882	10.0
97.06501	6.1
97.10171	10.5
105.07040	39.9
107.08595	42.7
109.10146	68.9
111.08073	9.6
111.11701	12.3
111.13977	4.0
115.07558	5.9
119.08588	37.5
121.10139	36.6
123.11699	25.7
125.09646	6.5
127.07603	5.2
131.08636	4.4
133.10136	26.4
135.11664	16.3
137.09648	4.0
137.13242	15.5
147.11708	44.3
149.13266	13.1
151.14861	8.1
155.10588	4.6
161.13258	22.6
163.14813	16.3
165.12793	13.2
174.74252	4.1
175.14787	6.4
177.16411	4.8
191.18074	6.8
203.17940	100.0
204.18414	6.2
212.33472	4.0
221.18970	36.5
238.93063	4.5
239.20026	26.4
256.16220	5.4
418.26776	4.6
436.27155	14.1
437.25369	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	436.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47553	1.5
53.03938	1.3
55.05510	3.5
57.03439	2.1
57.66845	1.2
61.02925	3.8
67.05504	7.6
69.03437	6.0
69.07063	6.7
69.23699	6.3
70.46140	1.2
71.04991	3.0
73.02908	2.4
79.05503	3.8
81.03408	2.3
81.07057	92.4
82.07372	1.9
83.08637	2.1
85.02901	25.1
91.03960	1.8
91.05488	4.0
93.07047	17.7
95.08607	20.6
97.02889	4.9
97.06536	5.5
97.10194	4.1
99.04466	2.2
105.01887	1.8
105.07043	10.9
107.08587	13.3
107.09179	1.6
109.02883	1.8
109.10148	12.6
111.08100	1.3
111.11733	3.6
119.08585	6.8
121.10152	22.0
123.11713	15.4
127.03897	5.5
127.11209	2.5
133.10115	9.2
135.11656	8.4
137.13251	3.2
139.11201	8.2
141.31436	1.1
145.04961	9.2
147.11682	6.4
149.13286	4.4
151.11189	2.2
153.12750	2.1
159.02888	1.3
161.13252	4.4
163.06035	1.9
163.14815	52.5
164.15157	1.1
171.13860	2.1
175.14828	4.9
193.19502	2.6
203.17947	70.4
204.18317	4.3
205.19492	11.9
221.18999	100.0
222.19370	4.1
239.20016	2.7
295.27563	1.1
341.39404	1.3
383.24176	2.1
437.21460	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99253	0.2
53.03934	0.6
55.01871	0.5
55.05505	2.1
57.03423	0.8
57.07060	0.7
59.05005	1.6
61.02917	0.6
63.83756	0.2
64.56738	0.2
67.05495	1.7
69.03420	1.9
69.07065	2.3
70.66798	0.4
71.04990	11.1
73.02901	0.4
73.06548	3.2
79.05487	3.6
81.03424	1.1
81.07055	18.5
82.07378	0.4
83.08610	0.5
85.02403	0.4
85.02905	6.7
85.06546	0.3
86.03270	0.2
87.00822	1.9
91.05467	2.4
93.07042	12.1
94.07375	0.3
95.04954	0.5
95.08600	7.0
97.02900	2.4
97.06538	1.1
97.10154	0.3
99.04456	0.6
105.01870	2.7
105.07027	4.7
106.07321	0.3
107.04987	0.2
107.08591	10.6
108.08930	0.5
109.02866	1.3
109.06502	0.4
109.09416	0.4
109.10153	7.2
110.10477	0.4
110.38137	0.2
110.71179	0.2
111.04419	0.2
111.08076	1.5
111.11726	0.3
119.08570	3.0
121.10138	2.6
123.11698	2.1
125.09628	0.5
127.03909	3.5
133.10121	3.8
135.11688	20.7
136.12027	0.9
137.09634	0.4
137.13306	0.4
145.04950	1.7
145.10132	0.4
147.11690	4.8
149.13257	1.7
153.12737	100.0
154.13066	4.3
155.21381	0.2
159.02837	0.5
159.11670	0.3
161.05907	0.2
161.13261	2.8
163.05945	0.6
163.14815	1.1
167.06929	0.4
168.07405	0.5
171.13831	0.4
175.14819	0.8
193.19412	0.4
203.17952	20.3
204.18275	1.0
221.18996	21.5
222.19312	1.0
231.04979	0.4
239.20088	1.4
249.06009	0.4
290.06677	0.3
383.24216	0.4
430.18179	0.3
436.20151	0.8
437.15106	0.3
437.21481	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	436.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.8
57.07065	3.9
57.38457	3.4
65.54025	3.8
67.05508	5.9
69.07065	13.1
69.39868	14.7
71.08631	5.0
74.72807	3.3
81.07053	7.0
83.08619	4.4
85.35998	3.9
89.21870	4.0
95.08610	10.6
97.10187	5.1
98.23476	7.2
107.08573	5.3
109.10150	5.9
110.03699	3.4
111.04449	8.3
123.04441	22.0
139.03900	100.0
145.10097	4.8
149.05981	33.2
163.07539	70.1
164.63823	4.2
177.09052	5.1
181.05017	6.5
201.46904	3.5
238.83269	4.0
317.24741	67.7
335.25702	15.0
377.27008	20.0
419.33200	5.6
437.34152	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	436.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.2
57.07073	7.0
67.05524	5.0
69.07066	13.9
71.40424	6.6
81.07050	10.0
95.08594	5.8
104.98064	5.7
111.04456	26.2
121.06562	5.3
123.04420	41.6
125.05987	6.8
135.08022	7.6
139.03897	100.0
139.18086	4.7
149.05988	34.1
153.05453	59.6
154.05806	21.6
163.07539	90.7
177.09131	6.0
252.73177	4.5
261.21805	5.2
298.07184	4.7
299.23718	10.4
317.24670	79.1
335.25867	36.3
359.25656	6.8
367.53180	5.2
377.26883	43.2
401.26932	11.2
418.34091	6.3
436.35208	34.7
437.34259	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	436.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	32.6
57.07064	15.5
63.45425	17.3
69.07064	32.9
69.64488	65.1
71.08649	18.1
72.08159	25.9
79.66763	15.4
82.62344	15.2
83.08608	22.0
84.07359	16.2
93.61300	15.7
95.08607	16.8
98.23083	65.1
123.04423	53.6
129.43777	20.6
135.11691	20.8
137.05962	31.9
139.03911	20.1
139.07533	18.2
151.07562	64.1
155.01019	21.3
167.07059	78.4
191.07133	32.0
339.28937	21.5
359.25684	100.0
436.21399	36.7
437.19000	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	436.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	10.2
56.87035	4.5
69.07071	14.4
69.43089	20.5
70.61326	4.3
75.94882	4.5
79.87726	4.7
81.07053	10.3
82.27824	4.4
83.08630	12.9
84.74445	4.4
87.04473	5.2
88.70553	4.4
89.19545	5.1
95.08613	5.3
97.10199	7.7
108.06257	5.1
111.11654	5.8
123.04427	99.4
137.06007	9.7
139.07605	5.2
149.05978	53.5
163.07565	100.0
177.09128	8.6
181.23044	4.9
191.07033	5.7
205.08588	27.9
283.62778	5.0
317.24750	99.6
318.25052	7.9
359.25900	36.2
375.18472	5.6
418.33826	6.8
435.81122	4.8
436.30487	45.4
437.19333	6.6
437.34537	12.3
458.62595	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	436.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41859	23.5
64.57231	25.1
69.40710	92.1
69.45899	28.3
96.36975	27.7
98.03793	29.3
98.23459	61.3
137.05946	28.9
147.26956	27.5
163.07617	36.1
169.04922	78.6
176.93646	25.2
178.10934	26.5
202.63148	25.7
203.21800	28.8
222.27043	26.7
335.25800	100.0
363.25076	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	436.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11161	0.5
55.05518	4.5
57.07064	1.1
65.21327	0.5
66.80919	0.6
67.05491	2.1
69.07072	5.1
69.87878	1.3
69.88194	0.5
71.08627	0.7
78.42682	0.7
79.05507	1.0
81.07053	3.2
83.08634	3.5
89.06019	1.1
91.05505	1.3
95.08594	2.1
95.55116	0.5
97.10148	2.2
99.81898	0.6
107.08577	1.0
109.06524	2.9
109.10107	1.3
111.11705	0.6
112.76849	0.5
113.68708	0.6
119.36980	0.5
121.06499	0.9
125.06013	1.3
131.08578	0.7
133.33377	0.6
135.07997	0.9
137.05972	100.0
138.06334	2.2
144.39230	0.5
149.09589	1.5
151.07573	1.3
155.07028	0.8
159.08011	0.7
161.09654	1.2
163.07542	25.4
164.07959	0.7
173.13220	1.0
177.09106	35.1
178.09410	0.9
179.07033	2.5
187.11185	1.2
191.10629	1.9
196.07857	0.6
201.12727	1.9
205.08643	3.6
219.10133	4.7
312.78452	0.7
341.28470	2.0
359.29425	51.0
360.29807	3.5
437.34351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33543	6.6
55.05511	34.4
55.90123	6.4
57.03429	7.4
57.07081	11.1
61.12727	8.3
66.80447	7.0
67.05505	22.2
69.07072	34.9
69.46899	14.3
69.47303	24.3
71.08642	11.4
79.05487	12.0
80.32309	7.3
81.07054	31.4
83.08629	26.5
93.07017	10.1
95.08614	30.7
97.06560	8.3
97.10171	20.0
98.98466	62.3
105.07020	10.7
107.08571	8.8
109.06470	10.1
109.10143	15.6
121.10155	18.6
133.10074	8.1
133.42561	7.6
135.11674	14.2
153.05475	46.5
154.05807	31.3
155.01044	55.1
162.49512	8.0
194.82817	6.8
247.24171	8.9
265.25180	23.3
285.40363	9.1
334.84317	7.0
339.28891	100.0
418.33902	12.5
419.34048	8.9
436.24796	9.1
436.34778	25.5
437.19141	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04967	0.5
72.27554	0.3
79.05515	0.5
81.07051	0.9
85.02917	0.3
91.07951	0.3
92.65367	0.3
93.07034	0.4
95.08609	0.3
105.07014	0.5
107.04952	1.4
107.08568	0.5
109.10143	0.5
119.08582	0.4
121.02993	0.4
121.98569	0.3
123.11700	0.5
133.10149	0.5
145.42181	0.4
147.04390	0.6
147.11604	0.4
151.11186	0.4
203.05235	2.2
203.17941	0.5
204.18336	0.5
222.19168	0.5
249.11179	0.5
257.15021	0.9
275.09113	0.4
437.14563	7.0
437.21469	100.0
438.15744	0.7
438.21790	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	437.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.3
69.03439	0.2
69.07067	0.3
69.40872	0.3
69.41206	0.8
79.05531	0.3
81.07057	3.5
82.07401	0.7
85.02899	0.6
93.07068	0.4
95.01108	0.3
95.08591	0.5
96.01855	0.2
105.07017	0.3
107.08595	0.4
109.10201	0.3
110.10513	0.3
113.02138	0.3
115.88829	0.2
119.08587	0.2
122.10517	0.3
123.11694	0.4
128.14749	0.2
133.10138	0.3
134.10445	0.2
139.11060	0.2
139.46178	0.2
140.11490	0.2
145.04985	0.5
145.69144	0.2
163.14833	1.0
164.15173	1.1
185.04269	0.7
201.03752	0.3
203.05217	0.4
203.17943	1.0
204.18309	1.9
206.20059	0.2
207.06845	0.2
221.18994	1.5
222.19336	2.5
229.06799	0.4
275.16208	0.4
429.48904	0.2
437.21475	100.0
438.21838	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	437.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62094	0.2
52.93411	0.2
58.56495	0.2
61.02927	0.2
63.91178	0.2
65.09405	0.2
69.03429	0.3
69.40945	0.4
69.41336	0.6
70.00410	0.3
71.44249	0.2
81.07043	2.5
82.07373	0.7
85.02894	0.8
93.07021	0.5
95.08593	0.4
96.08937	0.3
98.23402	0.4
98.97594	0.3
102.25180	0.2
105.07029	0.3
107.08603	0.4
109.10182	0.4
110.10522	0.3
113.02115	0.3
121.10159	0.6
123.11668	0.3
129.65630	0.2
134.10460	0.4
139.11201	0.3
145.04962	0.4
163.14781	1.3
164.15186	1.3
185.04201	0.6
203.05244	0.9
203.17972	1.0
204.18329	1.7
206.19867	0.3
221.19046	1.3
222.19275	2.6
289.05417	0.3
419.20551	0.4
437.21460	100.0
438.21759	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	437.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02481	0.8
70.50652	0.8
77.15967	1.0
86.21297	1.0
106.02502	0.9
121.62881	0.8
129.53160	0.8
185.04240	4.4
189.09120	1.8
203.05301	1.4
257.15192	1.6
275.16162	60.8
276.16666	3.2
284.73456	0.9
437.21524	100.0
438.21744	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2358
Annotation	HC Toxin
Peak:m/z	Relative Intensity
51.01929	0.3
55.05493	0.6
58.50435	0.3
67.05503	0.7
69.03440	0.4
69.07034	0.8
69.67256	1.4
79.05503	0.9
81.07071	2.0
85.02905	0.8
91.05446	0.4
93.07036	1.2
95.08616	2.2
97.02858	0.6
98.97585	0.6
105.07030	1.0
107.08599	0.8
109.02808	0.4
109.10146	2.0
119.08562	1.1
120.08164	0.4
121.10156	0.6
123.11712	1.0
124.03983	0.4
124.12012	0.4
133.10168	0.5
135.11711	0.8
137.13229	0.5
139.03909	1.3
140.03394	0.6
147.11693	1.1
149.13268	0.3
153.12781	0.5
158.97301	0.5
171.06467	1.0
203.17975	2.8
204.18329	1.0
221.19005	1.8
222.19363	1.2
234.99049	1.1
239.20103	0.8
257.21246	0.7
299.13647	0.4
323.07895	0.4
437.23569	100.0
438.14316	0.6
438.23938	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	437.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05508	18.6
57.03433	5.2
57.07064	10.9
59.04994	4.3
61.02919	2.8
67.05495	23.7
69.03450	13.4
69.07067	41.4
71.04990	20.9
72.05316	3.2
73.02920	3.8
73.06547	3.6
75.66837	2.1
76.86024	2.2
79.05496	16.4
81.03415	7.9
81.07056	89.0
82.07384	11.7
83.04969	5.7
83.08607	9.8
85.02904	42.5
85.06544	5.8
86.03208	2.9
87.00818	10.0
87.04406	2.5
91.05483	14.8
93.07042	39.3
94.07372	7.1
95.04972	6.4
95.08024	5.2
95.08604	80.1
95.09216	4.4
96.08927	7.6
97.02879	13.6
97.06532	6.2
97.10166	10.2
99.04450	5.6
99.08093	5.2
105.01862	17.0
105.07022	33.8
106.07368	5.1
107.08588	44.3
108.08897	11.9
109.02872	9.6
109.10154	76.7
110.10490	9.7
111.08084	10.4
111.11716	8.3
113.09673	2.8
115.07578	3.3
119.08580	29.9
120.08896	4.4
121.10137	28.2
122.10508	5.0
123.11688	26.8
124.12037	3.6
125.09624	7.6
127.03902	17.4
127.11188	5.7
131.08652	2.6
133.10127	22.9
134.10466	7.0
135.11693	27.7
136.12025	17.8
137.09669	4.3
137.13240	20.5
139.11180	4.4
145.04979	9.7
145.10068	3.7
146.05302	2.8
147.04398	8.7
147.11684	43.9
148.11992	15.4
149.13293	9.4
151.11220	2.6
151.14761	2.4
153.12737	84.9
154.13089	70.8
155.10654	3.3
155.14322	23.6
161.05893	2.9
161.13264	15.0
162.13574	5.3
163.14847	12.6
165.12727	5.9
173.14011	2.4
173.15266	13.0
175.14854	6.8
177.16397	5.2
189.05498	4.0
191.17896	4.6
203.17943	100.0
203.19858	4.9
204.18282	56.0
204.20213	3.6
221.18983	61.8
222.19342	65.3
231.04921	5.0
239.20036	28.2
240.20399	4.6
249.05966	3.7
257.21143	10.1
273.14923	3.3
275.08884	18.2
276.08884	2.4
437.14133	60.0
437.21402	66.6
438.14514	6.1
438.21338	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.3
57.03429	8.3
57.07071	7.7
61.02924	4.3
67.05505	58.9
69.07066	15.6
71.08623	7.3
73.66443	2.2
79.05045	4.1
79.05494	62.0
80.35325	3.0
81.07061	57.7
83.08614	9.8
85.06538	2.8
89.06065	2.4
91.05471	29.9
93.07049	83.4
95.04955	6.9
95.08607	49.9
97.06528	4.4
97.10165	4.8
98.22671	4.0
99.08125	5.9
104.99280	4.9
105.04537	3.5
105.07034	24.3
107.08594	46.2
109.06519	2.6
109.10124	16.5
111.99639	2.5
113.09595	2.4
115.38255	3.2
117.05500	7.7
117.07008	8.2
119.08600	13.7
121.10143	33.2
123.11694	8.1
131.08565	20.8
133.10114	11.6
135.11694	28.5
136.46208	2.3
137.13286	6.6
145.10117	18.1
147.11688	8.6
149.05972	3.0
149.09578	2.8
149.13264	27.4
155.01045	2.3
159.06532	55.3
159.11676	11.9
161.13255	13.0
163.07458	3.8
163.14813	17.2
173.11887	2.5
173.13243	13.0
177.16386	6.2
187.14848	9.8
190.84200	2.6
201.16400	4.7
212.87349	2.4
233.22649	8.1
239.14969	2.8
243.21094	38.2
246.84265	3.0
261.22137	100.0
262.22549	3.9
303.23257	4.0
317.24768	9.7
345.62531	2.4
377.26932	28.7
427.43039	2.9
437.19186	9.0
437.34003	7.1
438.29846	8.9
445.53986	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3414
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03938	2.1
55.05507	14.8
57.03376	1.7
57.07067	5.6
57.76007	2.1
67.05494	19.7
69.07072	20.0
70.05518	5.7
77.03921	2.1
79.05489	21.1
81.07055	63.7
83.08601	8.8
85.06520	3.4
91.05481	22.8
93.07042	52.2
95.04942	4.6
95.08602	76.9
96.08953	2.6
97.06512	5.4
97.10183	3.2
98.22760	2.8
103.05514	2.6
105.07020	58.3
107.08587	56.5
109.06537	3.7
109.10152	35.6
111.08054	3.7
115.05412	2.7
117.06996	12.4
119.08577	51.1
121.06500	4.0
121.10133	48.5
123.08035	4.4
123.11707	15.2
128.06226	5.5
129.07005	10.3
130.07828	4.4
131.08556	38.5
133.10133	40.7
135.08073	4.6
135.11685	35.3
137.13271	12.1
141.07024	4.9
142.07796	7.7
143.08560	26.9
144.09274	3.7
145.10117	56.7
145.11217	3.4
147.08081	4.8
147.11679	27.6
149.09552	3.6
149.13258	20.6
154.07733	3.0
155.08540	14.9
156.09332	10.8
157.10121	25.2
158.07281	1.8
158.10950	2.7
159.08066	3.8
159.11687	44.9
161.09636	3.0
161.13248	26.7
163.11195	6.0
163.14853	17.2
167.08543	3.2
168.09315	5.2
169.10118	23.9
170.10832	3.6
171.11664	24.4
172.12296	2.7
173.09622	6.5
173.13251	25.1
175.11143	4.1
175.14825	14.8
177.12744	3.2
177.16422	7.6
181.10168	4.9
182.10954	5.6
183.11714	16.1
184.12325	2.1
185.13286	20.6
187.11166	3.6
187.14798	31.1
189.12744	7.1
189.16360	44.1
190.16769	2.8
191.14339	5.4
191.17928	50.0
192.18144	2.2
195.11667	2.9
196.12433	1.9
197.13264	10.9
199.14810	25.0
201.12747	6.8
201.16373	41.1
201.18121	3.3
203.14307	9.1
203.17912	17.4
205.15897	3.9
205.19501	2.4
207.11772	2.5
207.17485	3.0
209.13202	4.6
211.14801	17.7
213.12836	2.6
213.16338	11.3
215.14316	20.5
215.17859	10.2
217.15947	9.9
217.19528	6.2
219.17426	2.4
223.14841	3.3
225.16409	3.9
227.14265	3.4
227.18001	5.2
229.15865	33.9
229.19545	7.7
231.13977	2.7
231.17502	3.2
233.15289	3.0
235.14842	2.7
237.16400	2.0
239.17879	3.5
241.19559	4.6
243.17406	4.2
243.21088	5.8
245.18927	2.5
247.16986	19.7
248.17094	2.6
253.19461	3.4
255.17581	2.2
255.20978	4.8
263.17960	2.3
265.19458	2.1
267.21100	2.6
269.22592	4.1
277.19730	2.0
281.19003	2.3
281.22812	3.5
283.20251	2.7
297.22113	3.7
363.26837	2.7
377.28088	2.5
389.31799	3.3
391.33844	2.9
393.31342	4.4
401.32043	5.3
407.33215	4.2
409.34668	3.1
419.33090	44.0
420.33347	4.6
437.34122	100.0
438.34348	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	437.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35338	1.0
51.42326	0.9
51.60236	1.0
55.01853	1.9
55.05511	17.3
57.03444	1.2
57.07073	7.2
59.61239	1.0
67.05507	9.0
69.07069	21.7
69.13750	2.7
69.14167	4.7
71.08627	3.7
79.05489	5.6
81.07054	18.6
83.04980	19.1
83.08618	10.6
85.10187	2.2
91.05464	5.6
93.07048	7.0
95.04939	1.1
95.08608	17.7
97.10170	8.0
104.99258	4.7
105.07022	4.3
107.05014	1.3
107.08585	6.0
109.06535	9.1
109.10142	7.5
111.08061	2.5
111.11717	3.7
117.06996	1.0
119.08581	4.4
121.06474	1.9
121.10155	4.7
123.08073	3.1
123.11723	4.2
125.05949	3.4
131.08545	2.2
133.10136	4.0
135.08096	2.3
135.11737	1.4
137.05978	46.2
139.07521	3.2
145.10110	2.5
147.11697	1.9
149.09605	2.1
149.13193	1.2
151.07538	9.1
151.14745	1.4
155.07021	4.4
157.10091	2.4
159.07985	1.6
159.11641	3.3
161.09601	6.4
161.13193	2.8
165.09132	3.7
171.11693	2.7
173.09628	1.5
173.13286	1.3
174.10374	1.4
175.11192	3.7
175.14865	1.2
177.12674	2.3
179.10657	4.0
187.11140	2.0
189.12715	4.6
193.12213	3.3
203.14357	1.2
205.12201	2.4
207.13826	2.8
244.25301	1.2
262.98184	2.9
263.20038	2.7
339.27869	1.3
355.88892	1.1
373.34909	1.6
383.33078	2.3
401.34137	20.9
402.34387	1.6
408.15164	1.2
419.35202	100.0
420.35446	7.3
437.19260	4.9
437.36362	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	437.3627
Annotation	5beta-Cholestane-3alpha,7alpha,12alpha,24-tetrol
Peak:m/z	Relative Intensity
51.17645	0.7
53.03941	0.8
55.05512	14.7
57.03436	1.5
57.07077	5.8
67.05501	8.3
69.06715	1.4
69.07066	20.0
71.05008	1.0
71.08633	3.4
79.05513	3.7
81.07056	15.0
81.58984	0.7
83.04981	15.3
83.08609	12.1
85.06547	1.0
85.10170	1.6
91.05476	4.0
93.07035	9.3
95.04955	1.2
95.08605	16.7
97.06524	0.8
97.10174	6.9
99.08092	0.7
104.99284	2.5
105.07027	3.0
107.08580	5.8
109.06513	6.5
109.10165	8.5
111.08053	3.7
111.11700	2.6
119.08574	3.5
121.06516	1.8
121.10162	4.0
123.08048	3.6
123.11739	4.1
125.06013	3.6
125.13257	1.2
126.06129	0.7
131.08591	1.4
132.07841	0.8
133.10107	2.6
135.08047	2.9
135.11668	2.9
137.05968	31.1
137.09636	1.7
137.13246	2.1
138.06267	1.1
139.07527	4.4
145.10100	2.0
147.11671	2.3
149.09627	1.3
149.13231	1.6
151.07549	7.3
151.14781	0.7
153.09100	1.9
155.07014	2.5
155.08403	0.7
157.10094	1.1
159.11661	3.2
161.09572	4.8
161.13271	2.9
163.11223	1.3
165.09053	3.7
165.12744	1.6
171.11687	1.9
173.09653	2.0
175.11197	4.0
175.14796	1.1
177.12735	2.4
179.10661	3.0
179.14447	0.8
181.12189	1.2
185.13220	1.3
187.11171	2.2
189.12769	4.1
193.12173	3.6
195.13829	0.8
205.12198	1.6
207.13763	3.6
219.13730	1.3
221.15489	1.3
233.15480	0.9
239.14902	1.0
262.98001	1.6
263.20151	2.0
277.21616	1.1
283.30136	0.9
355.33533	0.7
373.34366	1.2
383.33008	2.3
389.34207	1.5
401.34143	22.8
402.34229	0.9
419.35178	100.0
420.35651	7.4
437.19299	2.9
437.25272	1.2
437.36304	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	438.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03434	1.0
61.02905	1.4
67.05489	1.0
69.03423	3.2
71.31911	0.8
79.05482	1.3
81.03396	1.2
81.07031	1.4
85.02912	10.9
91.05496	5.6
93.07037	2.8
95.04961	1.1
95.08582	1.3
97.02887	3.3
97.10209	0.9
101.78149	0.9
107.04955	23.0
107.08590	1.3
119.04942	46.7
120.05278	1.2
121.06519	10.7
127.03898	2.3
135.04390	2.2
135.11671	1.5
137.06030	1.0
137.13298	1.2
145.04990	1.5
147.04408	100.0
148.04774	2.2
149.14677	0.9
153.46474	0.9
165.05472	10.6
173.15985	0.9
201.05371	2.0
202.44614	0.8
203.05307	1.6
223.07541	2.4
234.31279	0.9
241.08592	98.5
242.08917	3.0
259.09653	21.2
260.10013	1.3
438.21777	13.1
439.23068	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01866	4.5
55.05509	35.3
57.03423	4.1
57.07075	4.5
59.04996	5.0
61.02926	2.6
67.05499	6.0
67.35703	1.5
68.99809	2.0
69.03430	28.5
69.07066	7.2
71.04997	7.1
71.46131	2.0
73.02921	7.2
81.03422	15.9
81.07057	16.9
85.02903	78.5
85.99236	1.8
87.00828	47.6
93.07045	3.9
95.08606	33.4
97.02895	31.6
97.10162	33.1
99.04446	10.1
99.08085	2.4
105.01862	100.0
107.04961	4.9
107.08538	2.1
108.05296	2.6
109.02863	20.6
109.10149	4.8
121.10144	5.1
127.03912	57.3
131.75075	1.6
133.10107	3.9
137.09648	2.3
137.13246	70.4
139.59705	1.5
143.99561	1.8
145.04959	30.5
151.07246	1.9
155.10693	4.2
155.14311	16.3
159.02855	9.6
172.60930	1.5
175.14748	2.0
180.25592	1.8
189.03915	3.1
196.67744	1.6
213.03934	2.8
231.04977	26.3
249.06050	42.0
423.92087	1.5
438.21616	4.8
439.15350	3.9
439.23523	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	438.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05514	4.6
57.07078	9.4
63.10788	0.5
67.05504	4.4
68.99783	1.2
69.07074	5.6
69.71315	2.1
71.08634	6.3
73.06536	0.7
79.05499	3.3
79.05888	0.6
81.07060	4.5
81.56747	0.6
83.08607	2.5
85.02897	0.7
85.06532	0.6
85.10174	3.2
86.61902	0.6
89.06034	25.5
89.10691	0.5
91.05481	3.6
93.03395	1.0
93.07010	0.7
95.04928	0.9
95.08603	2.6
97.06519	1.7
97.10175	2.0
105.07028	3.2
107.04964	5.9
107.07019	0.7
107.08586	0.7
109.10159	1.6
110.03642	2.1
111.04466	0.8
111.08040	0.6
111.11720	0.9
115.05470	3.6
117.07006	1.3
119.04935	2.4
119.08572	1.8
121.06549	1.3
123.04423	5.3
123.11699	1.0
125.05999	23.5
125.06926	1.4
126.06318	0.6
129.07019	1.8
131.08571	1.1
133.06490	6.9
133.08604	14.1
135.04390	0.7
135.08025	0.9
137.05995	3.6
138.03142	4.4
139.03917	3.2
141.05423	2.1
143.04948	1.2
143.08565	1.2
145.06470	1.7
147.04439	7.8
147.08028	5.2
149.05975	3.4
151.07561	1.0
151.09656	1.5
152.04694	1.0
153.05469	89.0
154.05806	1.9
157.06500	2.2
157.10066	1.0
159.08083	1.5
160.05217	2.0
160.08826	0.6
161.05977	14.8
161.09564	3.2
163.07550	9.7
165.05476	2.1
165.09015	1.1
167.03366	1.0
167.07033	2.0
169.04967	19.4
170.05174	0.9
171.11571	0.9
173.09631	2.7
174.06781	0.9
175.07545	8.7
177.05496	1.5
177.09084	3.8
177.11215	3.5
179.07031	13.2
181.04985	1.2
182.05763	2.0
185.09584	1.2
189.09178	3.7
193.08607	34.1
194.09003	1.0
195.06500	1.6
195.12254	1.2
196.07353	3.4
203.10707	3.6
205.12263	0.9
207.10216	3.3
209.08243	0.7
211.06039	5.0
211.09517	3.0
214.02902	0.6
217.12183	1.3
221.11671	0.7
223.13300	1.3
235.09598	1.0
237.14821	0.8
239.14880	18.9
241.19463	1.1
249.07564	0.6
259.20551	1.6
269.19028	1.9
271.26431	0.8
273.22076	1.2
287.20047	17.2
291.23154	2.8
301.21634	5.6
305.21057	1.7
319.22672	100.0
320.23041	5.6
337.23575	3.6
343.22858	0.8
361.23627	3.9
379.24841	2.6
421.35153	5.8
438.19669	0.9
438.29749	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	438.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.9
55.85914	0.9
57.07079	42.0
62.83292	1.1
67.01853	1.2
67.05518	5.5
69.03418	2.6
69.07060	9.2
69.73824	3.5
71.08628	28.7
73.06563	2.1
79.05477	3.3
81.07065	6.5
83.01358	1.1
83.08620	4.2
85.10182	14.5
87.04486	2.5
89.06031	67.7
91.05496	1.8
93.07026	3.0
95.04974	1.3
95.08588	7.6
97.10174	3.7
98.22910	3.3
98.98477	2.9
99.11713	2.6
105.07038	2.6
107.04953	2.5
107.07105	1.7
109.06514	2.6
109.10199	1.6
111.11692	1.6
113.13278	2.3
119.08597	1.7
121.06528	2.3
123.04456	2.5
123.08039	1.4
123.11721	1.7
125.05988	18.9
127.14838	1.3
129.07005	2.5
131.08563	1.9
133.08609	38.6
133.10110	2.2
135.04417	4.2
137.05971	40.6
138.06223	1.1
139.03896	4.0
141.05420	1.1
147.08057	8.3
147.11768	1.1
151.03917	1.9
151.07550	4.8
151.09647	5.6
153.05469	100.0
154.05942	2.2
159.08080	2.7
161.04352	1.2
161.05959	7.0
161.09604	5.9
163.07527	4.2
165.05481	2.8
167.07045	4.8
169.04948	18.6
174.06743	1.5
175.07550	11.7
175.11053	1.6
177.05467	2.5
177.09100	5.4
177.11177	8.5
179.07033	11.4
181.04939	1.9
183.21062	1.5
189.09076	4.4
191.10625	1.5
193.08603	30.5
194.08861	1.5
195.06519	2.4
195.12256	3.8
203.10654	3.0
207.10173	3.0
211.06021	10.1
217.12126	1.3
221.13789	1.6
237.52174	1.0
239.14891	40.7
253.06921	3.1
271.26215	1.6
273.22079	5.2
291.23132	12.7
301.21603	19.3
319.22662	95.9
320.22916	4.2
340.29230	5.5
343.22644	2.2
347.25702	1.0
361.23724	14.9
379.24887	1.8
403.24979	1.6
410.49136	1.5
410.54437	1.6
421.35266	23.5
422.35260	1.1
438.28827	1.3
440.51645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06396	0.5
55.05509	3.8
56.50100	0.6
57.03426	0.8
57.07076	21.6
59.04998	0.8
67.05501	4.2
69.03430	0.9
69.07063	5.2
69.25214	1.1
69.25636	2.7
71.08629	39.3
71.31549	0.6
79.05497	1.7
81.07058	5.6
83.08628	5.4
85.10181	9.5
89.06030	25.6
89.42213	0.6
91.05446	0.9
93.07026	1.0
95.04955	1.9
95.08611	4.0
97.10174	2.8
97.46605	0.6
99.08092	16.1
99.11712	2.1
105.07053	0.6
107.04951	1.2
107.08589	1.1
109.02901	2.0
109.10162	2.5
111.11716	1.5
113.13282	1.4
119.08539	0.8
120.92454	0.6
121.06509	1.6
121.10155	0.8
123.04427	67.8
124.04742	1.1
125.05995	1.7
126.03147	0.8
127.11176	1.4
127.14797	0.8
131.04948	0.7
133.08601	15.5
135.04408	1.8
135.08080	0.7
137.05971	13.2
139.03902	2.0
141.05447	2.1
145.06491	1.1
147.04385	1.3
147.08054	0.9
149.05975	23.8
149.98421	0.6
150.06393	0.8
151.07605	0.8
151.09642	1.3
153.05478	9.3
157.06516	1.0
161.05968	6.8
161.09639	1.0
163.07530	17.2
165.16432	0.8
167.03505	1.1
171.08025	0.6
173.09680	0.8
175.07539	12.8
177.09070	2.4
177.11263	3.4
177.16351	0.6
185.09593	0.8
189.09093	10.3
191.10677	0.7
193.08569	1.0
195.17441	1.7
197.18996	1.0
203.10712	3.7
217.12248	1.5
221.13573	0.7
239.14885	15.3
271.26389	0.9
287.19974	4.4
301.21518	3.0
303.73676	0.7
305.21201	5.1
315.29236	0.7
319.22592	3.0
337.23712	55.8
338.24042	3.3
347.22281	1.1
357.20642	1.2
361.23749	0.8
363.25189	1.6
375.21732	1.0
379.24774	100.0
380.25153	5.9
389.23380	1.0
407.24265	1.1
421.25955	11.2
421.35156	17.4
422.26248	0.9
438.25223	2.6
438.30612	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	438.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.5
57.07075	17.4
62.06084	2.2
67.05500	10.7
68.99795	3.4
69.07062	11.3
70.32964	2.2
71.08633	12.6
73.09238	1.0
74.10029	0.9
79.05500	1.8
81.07053	14.3
83.08598	7.2
85.10182	8.7
87.04414	1.7
89.06035	16.6
91.05468	1.4
93.07037	4.3
95.08598	12.0
97.09597	1.0
97.10155	6.1
98.23115	2.4
98.75792	1.0
99.11732	1.3
103.05468	1.7
107.04957	3.0
107.08614	2.1
109.10170	5.1
111.11709	2.5
118.23537	1.0
121.06511	3.4
121.10109	3.7
123.04427	47.1
123.11694	3.0
124.04797	1.2
125.05974	3.3
125.13299	1.4
133.06514	1.2
133.08607	10.1
135.08060	3.5
135.11702	2.0
137.05969	2.7
137.13191	1.3
147.04407	2.1
149.05972	100.0
150.06320	1.8
151.07510	8.6
153.05452	12.9
161.05971	36.5
163.07539	67.6
164.07901	1.6
175.07547	13.6
177.09084	9.2
177.11226	2.9
179.07019	2.8
189.09081	16.2
191.07047	6.9
193.08643	3.7
203.10678	10.7
205.08566	9.5
205.12343	1.4
207.21016	1.2
217.08612	5.4
217.12289	3.4
219.10172	1.4
219.21130	3.2
221.08067	1.3
227.98901	1.5
231.10193	1.7
231.16412	1.2
239.14914	14.2
246.19684	1.1
261.18414	1.3
325.25070	1.7
343.26303	87.7
344.26654	5.3
361.27298	7.3
385.27295	8.9
403.28378	5.0
421.35208	14.1
438.19510	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.5
57.07079	82.9
67.05485	1.7
69.07063	8.6
69.22919	4.7
69.23333	2.6
71.08633	72.9
73.06558	2.2
79.59492	1.1
81.07080	2.1
83.08601	6.1
84.40864	1.3
85.10183	42.6
86.89573	1.0
87.04479	2.6
88.61752	1.0
89.06033	100.0
91.05463	1.6
93.21280	1.2
95.08612	2.2
97.10175	3.8
98.98501	1.9
99.11739	7.5
107.04982	1.2
107.07050	2.4
111.11710	2.4
113.13284	5.4
117.09126	2.1
123.04404	4.3
125.13267	1.9
127.14854	4.4
130.08620	1.8
133.08607	65.2
137.06001	10.5
151.03958	1.9
151.07582	2.2
151.09677	5.6
153.05467	11.2
161.05974	2.7
163.07576	1.8
169.04959	12.6
175.07565	1.8
177.09113	1.1
177.09660	1.5
177.11209	13.2
179.07033	2.2
189.09102	1.5
193.08627	1.8
195.12254	5.6
211.06001	5.6
221.13899	3.3
239.14891	61.3
253.06984	6.6
271.26465	2.1
291.23123	3.4
301.21680	1.6
315.28824	1.7
319.22708	19.7
320.23157	2.3
337.23807	2.4
340.29276	3.5
349.36417	1.3
361.23505	1.5
379.24570	3.3
415.14529	1.5
421.35245	65.5
422.35498	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.05511	19.9
57.03425	4.6
59.04968	2.7
67.05474	3.0
69.03429	13.3
69.07058	8.9
69.44507	2.2
69.79688	9.1
70.06561	7.3
71.04952	3.8
73.74567	2.4
81.03416	13.9
81.07047	6.4
81.73190	2.1
82.01450	2.0
83.04938	2.7
83.49991	2.0
85.02905	46.4
86.09633	2.7
87.00437	2.1
87.00824	21.8
93.07024	1.9
93.13725	2.2
95.08570	8.2
97.02890	21.1
97.10190	17.0
98.03220	2.1
98.10435	2.8
98.97546	5.0
99.04384	3.9
105.01861	45.2
105.07029	2.9
106.02177	5.0
107.08593	2.9
109.02834	9.3
109.10114	2.6
116.98625	2.8
127.03910	30.3
128.04170	3.7
131.08574	2.8
133.10149	2.2
136.06143	7.6
137.05940	6.7
137.13278	12.6
145.04955	17.2
146.05241	3.1
155.14325	3.5
159.00577	17.4
159.02802	4.8
159.08043	3.3
175.07460	2.2
187.07379	2.6
189.09021	3.1
190.67050	2.6
191.03140	3.6
220.97876	2.8
227.02231	2.9
231.04971	11.7
232.05203	3.8
249.06076	17.3
249.11107	9.8
250.06274	6.0
250.11436	6.2
267.15793	3.7
271.04315	3.3
305.11734	3.6
321.05643	6.4
341.21130	2.3
355.15466	3.4
361.14093	2.7
363.06842	20.5
391.15201	3.5
395.07071	14.2
407.00858	4.4
407.05826	72.4
408.06006	2.9
409.16092	4.4
421.16324	6.1
439.06790	100.0
439.23505	57.1
440.07614	4.2
455.82486	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	439.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99923	0.8
60.45346	0.7
64.32366	0.6
68.16646	0.7
69.49892	1.5
69.50293	2.9
74.09718	1.2
80.68000	0.7
98.23478	1.5
105.07040	0.9
119.08594	0.7
147.04401	1.3
157.99794	1.6
159.00543	17.0
167.03299	1.0
185.04292	1.4
191.03244	2.6
201.01659	1.4
201.09251	0.7
203.05359	1.6
227.05293	2.5
271.01706	0.9
271.04407	2.6
280.98190	0.7
321.05731	6.9
334.61093	0.8
353.08374	1.1
363.06885	21.3
364.07553	0.8
389.04977	1.9
395.09384	6.5
407.05829	80.4
408.06256	4.7
438.22168	2.0
439.03677	1.2
439.08591	68.5
439.23438	100.0
440.09061	3.8
440.23752	4.1
446.41068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
56.96570	0.7
57.07069	0.6
67.05501	0.5
68.75137	0.3
69.03434	0.5
69.07070	0.9
73.02923	0.5
75.81989	0.4
79.05509	0.6
81.07041	1.0
83.01302	0.3
83.08624	0.8
83.65701	0.3
85.02940	0.6
91.05465	0.4
93.07094	0.4
93.15633	0.3
95.08617	1.0
97.02867	0.5
109.02882	0.7
109.06567	0.5
111.04433	0.4
115.05419	0.3
123.04446	0.6
125.48085	0.4
133.10228	0.4
135.04449	0.4
137.06023	0.6
139.03932	1.0
141.05658	0.3
145.02795	0.4
147.04413	0.6
149.05991	0.8
151.03922	0.5
153.05444	1.8
155.03481	0.4
155.14362	1.4
156.14716	0.4
163.03912	0.7
165.05457	0.5
167.03377	0.4
169.04967	0.9
173.15427	0.6
175.03992	0.6
177.05528	2.4
179.03427	0.6
189.05551	0.6
189.09285	0.4
191.03418	0.4
191.10701	1.0
192.04167	0.7
193.05017	1.3
203.03587	0.6
203.05209	1.8
205.05003	1.4
208.48328	0.3
213.09183	0.4
217.05029	0.7
219.03000	0.5
219.06526	0.4
221.04335	2.1
227.03323	0.4
229.05148	0.6
231.06624	0.6
233.04449	0.5
235.06194	0.8
245.04503	1.3
245.08191	0.7
247.06032	1.7
251.05548	0.9
259.16782	0.6
261.07877	0.3
261.10748	0.3
263.05548	4.8
269.08246	0.3
277.07770	0.6
277.14264	0.4
281.06512	0.8
287.09286	1.0
295.08585	3.3
313.09744	1.5
315.19644	0.4
325.17902	0.5
343.19058	0.8
343.80380	0.4
357.20724	0.9
361.20270	0.5
385.20078	2.1
387.95435	0.4
395.16821	1.0
403.21060	2.2
421.22086	3.0
438.21808	0.6
439.14313	10.2
439.23138	100.0
440.14047	0.6
440.23495	4.7
457.13950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82706	0.4
79.05492	0.7
83.01125	0.7
84.01891	0.8
92.98153	0.5
95.01106	2.0
96.01862	1.2
96.18697	0.4
107.04961	1.7
108.05276	0.5
112.01347	1.0
113.02110	3.5
126.02959	0.5
126.09142	0.5
135.62706	0.4
137.06020	0.5
141.05281	0.4
153.05437	1.0
154.05835	0.9
157.04720	1.0
158.03920	0.4
185.04198	3.6
201.03793	1.4
202.04434	0.7
202.06000	3.3
203.05162	0.6
213.10229	0.6
243.52412	0.4
246.10471	0.5
259.07990	0.6
276.06042	0.6
277.06931	0.9
277.10428	0.7
297.71176	0.4
297.74457	0.4
439.15811	100.0
440.16077	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1576
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
53.44786	0.6
55.05515	1.7
69.07025	0.6
69.28537	3.0
71.04981	0.8
72.73466	0.6
79.05523	0.7
81.07047	1.0
83.04988	4.8
97.02879	0.7
99.54272	0.6
107.08618	0.7
175.10954	2.3
190.62993	0.6
191.10471	2.1
191.14330	0.8
201.03787	2.1
243.04744	7.8
276.89664	0.7
287.03720	58.7
288.04117	1.9
289.05377	4.5
292.91693	0.8
353.15616	1.1
395.16754	13.6
396.17117	1.1
396.50217	0.8
439.15695	100.0
439.22845	27.5
440.15955	6.5
440.22614	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01866	2.2
55.05490	0.4
57.03416	0.9
61.02905	1.3
65.03931	1.0
67.05497	3.4
68.99773	0.9
69.03423	5.3
69.07056	0.5
71.04975	1.0
73.02923	1.6
75.27871	0.3
79.05473	0.9
81.02965	0.5
81.03415	6.2
81.07059	0.7
81.84462	0.3
83.01347	0.6
85.02901	14.6
86.03250	0.3
87.00823	5.6
91.03944	0.5
91.05473	3.6
93.07029	0.7
95.04963	0.6
97.02888	5.5
98.97585	0.4
99.04454	3.1
103.03886	0.4
103.05463	0.8
105.01871	4.4
105.07045	1.5
107.04974	3.3
109.02184	0.5
109.02881	5.9
109.06506	0.8
115.05463	1.0
116.06185	1.1
117.01851	1.2
117.07034	0.4
119.04894	0.7
120.05736	0.3
121.06496	11.5
123.04440	2.5
125.05966	0.8
127.03908	9.7
128.06213	0.6
129.01802	1.5
129.06989	1.4
131.04967	0.6
131.07555	0.4
131.08559	7.3
133.06453	1.0
135.04401	0.4
135.08051	3.3
137.05971	10.9
141.06990	1.0
142.07755	0.8
144.05655	0.9
145.04947	4.7
145.06444	1.4
145.10104	0.3
147.02895	0.8
147.04401	3.8
147.33270	0.3
148.08781	0.5
149.05968	3.0
151.07582	0.5
155.08592	0.4
157.10085	0.6
158.07268	1.6
159.02884	4.8
159.08043	3.9
160.08867	2.1
161.05957	4.3
161.09534	0.4
162.06750	7.9
163.07541	5.6
163.11168	4.1
164.07809	0.4
169.07518	0.4
172.08754	0.4
173.09613	1.1
174.06709	0.9
175.07529	1.9
176.08298	8.8
183.07947	0.4
187.07639	0.3
187.11165	0.9
189.09106	1.4
191.10651	100.0
192.10999	3.3
201.09061	1.3
203.10689	1.5
215.10658	6.3
227.10605	0.6
229.12238	0.4
231.04976	0.9
233.11716	3.7
251.21468	0.3
257.11755	2.5
281.11496	1.5
299.12772	2.1
334.54633	0.3
336.71768	0.4
373.08731	0.3
421.21875	0.9
439.22946	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.194
Annotation	Phe Trp Ser
Peak:m/z	Relative Intensity
76.40553	0.6
80.69375	0.7
81.03413	0.7
85.02894	0.8
95.05035	0.7
96.55108	0.5
96.79552	0.6
98.97558	0.7
105.07032	0.7
139.03896	0.7
183.68903	0.7
218.18300	0.6
225.14777	0.9
277.09106	1.0
368.24872	0.6
396.70728	0.7
439.19394	100.0
440.19702	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	439.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44507	1.7
54.93653	1.5
67.75180	1.8
68.65525	1.6
70.31358	4.3
98.97605	6.9
101.10275	2.1
101.11037	1.7
116.98650	3.5
119.32150	1.5
125.33019	1.9
148.69534	1.6
158.99678	2.5
174.78676	1.5
198.55431	2.1
237.02814	2.6
240.33977	1.9
277.17798	10.3
358.92065	1.6
406.14410	1.7
421.21954	1.8
439.22345	100.0
440.22516	6.0
457.21344	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2094
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
61.83433	1.0
69.15089	6.3
98.97558	3.3
106.84922	1.0
116.98669	1.6
143.04138	1.0
165.87724	1.0
191.10631	2.3
203.05290	1.4
274.97635	1.3
432.63470	1.0
439.21786	100.0
440.22125	5.6
457.20941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2302
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
54.01911	0.3
54.98365	0.3
55.05508	0.4
64.76068	0.3
67.05495	0.4
74.90892	0.4
79.16023	0.4
95.08557	0.6
105.07021	0.6
107.04982	0.5
123.04513	0.4
131.04944	0.5
133.06567	0.4
139.03973	0.4
161.06036	0.9
163.07573	1.1
167.07047	6.5
179.07027	0.5
181.08626	0.5
193.08629	1.2
201.03712	0.6
203.05229	2.7
259.16751	0.8
277.17896	0.4
355.15579	1.0
405.18881	1.1
422.78592	0.5
439.23077	100.0
440.23395	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	439.2304
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
67.05505	0.6
85.02900	0.4
109.10184	0.4
127.03831	0.3
131.27007	0.3
139.03949	0.3
164.29489	0.3
166.55753	0.3
183.06451	0.4
201.03760	0.8
203.05312	1.3
272.07913	0.3
282.76761	0.3
421.21674	0.5
439.23029	100.0
440.16818	0.4
440.23300	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	439.2304
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
60.84124	0.2
69.40333	1.2
72.72966	0.2
82.13002	0.2
96.42512	0.2
97.79433	0.3
115.73688	0.3
124.87900	0.2
131.67062	0.2
133.10115	0.6
137.09602	0.5
163.52669	0.2
185.56198	0.2
198.50554	0.2
233.11938	0.2
277.17804	0.6
358.96085	0.3
421.21909	0.9
439.23038	100.0
440.23376	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	439.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
57.07066	0.6
59.87411	0.4
65.89462	0.4
67.05500	1.5
69.03426	3.5
69.07069	1.3
70.42686	0.4
70.50303	0.5
70.77046	0.4
79.05502	2.7
81.03410	1.1
81.07064	2.3
83.04980	0.9
83.08616	0.6
85.02901	2.1
87.00827	0.8
91.05478	3.2
93.07054	1.6
95.04981	1.7
95.08584	0.7
97.02913	0.8
97.06532	0.5
98.09718	0.6
98.10361	0.4
105.01955	0.6
105.07032	4.2
107.04974	2.0
107.08597	8.8
107.47903	0.5
109.02879	1.1
109.06513	0.7
109.10166	3.1
117.06978	0.8
119.08598	2.0
121.06494	1.0
121.10127	5.5
122.07288	4.0
127.03934	1.2
131.04932	0.4
131.08585	1.0
133.10127	46.8
134.10458	0.8
135.08064	2.9
135.11725	0.6
137.05946	1.0
137.09616	24.0
138.09949	0.9
139.03740	0.4
143.08545	0.6
145.10187	0.9
147.11742	1.0
149.05864	0.4
149.09636	2.1
149.13239	4.4
157.08826	0.3
158.10921	1.2
163.14857	0.7
169.58774	0.4
170.15381	0.6
173.13252	2.9
191.10672	1.8
191.14317	17.1
198.14894	1.0
203.05299	1.5
210.14948	0.5
220.09079	0.4
259.16736	0.5
335.18674	0.5
395.16879	1.5
439.16156	6.1
439.23035	100.0
440.23383	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	439.2304
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
70.32968	0.7
93.64487	0.3
112.55839	0.3
118.98130	0.3
120.52197	0.3
130.06633	0.3
147.04414	0.5
153.01595	0.3
196.08063	0.3
201.03712	0.7
203.05255	0.9
210.03983	0.3
251.77893	0.3
269.59879	0.3
303.34171	0.3
439.15887	14.5
439.22986	100.0
440.16647	0.8
440.23276	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	439.2304
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
69.30527	0.9
69.30939	0.4
70.88123	0.2
87.03033	0.2
95.94184	0.2
98.23497	0.3
108.75964	0.2
112.73765	0.2
115.83673	0.2
117.07002	0.3
143.76968	0.3
150.86420	0.2
167.97946	0.2
196.56760	0.3
200.05252	0.2
201.03801	0.2
203.05354	0.3
277.17813	0.5
323.71045	0.3
421.22424	0.3
439.23019	100.0
440.23370	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	439.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03057	0.3
69.07082	0.4
93.07039	0.9
95.01086	0.7
95.05001	0.3
96.01884	0.4
97.02663	0.4
107.08592	0.9
111.04425	0.3
121.06489	0.9
128.04465	0.5
135.08017	0.4
141.05254	0.4
147.11681	1.8
149.13200	0.5
152.04761	0.3
158.05466	0.4
160.95409	0.3
168.03932	0.4
169.04750	1.2
173.13226	0.5
186.04971	0.8
191.14294	5.2
191.43167	0.3
201.03746	0.4
203.05225	1.6
259.16663	2.0
267.08862	0.4
273.09338	0.4
277.17670	2.2
298.97253	0.3
320.87527	0.3
369.18765	7.1
439.23035	100.0
440.23172	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	439.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
57.03425	0.7
60.27996	0.3
61.02918	0.3
64.78945	0.2
67.05478	0.3
67.35498	0.2
69.03419	0.9
69.07068	2.1
73.02919	1.5
82.25705	0.2
83.50423	0.2
85.02902	2.2
97.02912	1.6
98.22728	0.9
102.43473	0.3
111.11725	0.9
115.03935	1.1
116.67576	0.2
127.03938	0.4
133.04939	0.3
145.04958	0.7
163.05971	0.3
203.05251	1.1
207.40765	0.2
228.90800	0.3
259.16702	0.9
269.29715	0.3
277.17706	0.5
367.17288	0.8
369.18896	0.8
375.92413	0.3
396.42307	0.3
439.23026	100.0
440.23404	5.8
459.08450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2304
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.46103	0.2
67.05495	0.4
69.03436	0.3
69.48129	0.5
69.48517	0.6
69.85466	0.2
71.08657	0.2
73.06551	0.7
81.07036	0.5
83.08675	0.2
84.08114	0.2
85.02915	0.4
85.06554	0.3
95.08621	0.4
97.02872	0.2
103.15743	0.2
105.07073	0.4
107.08642	0.2
119.08585	0.2
127.03952	0.4
133.10164	0.2
135.11758	0.2
136.40163	0.2
137.13260	0.2
155.08551	0.5
155.14293	0.4
156.08928	0.6
156.14659	0.7
174.15704	0.4
179.89508	0.2
203.05324	0.4
225.11057	0.2
258.73822	0.2
277.17770	0.7
341.05243	0.2
439.23038	100.0
440.17517	0.4
440.23328	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	439.2821
Annotation	1-Stearoyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
58.48051	0.6
69.38377	2.4
71.00083	0.6
72.47348	0.5
89.06002	1.7
113.21474	0.5
125.05946	0.7
133.08582	0.8
138.03128	0.9
141.57138	0.5
153.05460	6.3
202.16434	0.5
219.23218	0.6
239.14847	1.0
321.24222	1.6
323.25565	1.0
439.28137	100.0
440.28479	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	439.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.3
55.05742	0.5
55.20422	0.4
57.07056	1.4
58.70248	0.4
67.05503	2.5
69.07077	2.6
69.46404	1.9
71.05003	0.6
73.36785	0.5
75.04457	0.9
79.05488	1.1
81.07049	3.1
83.05016	0.5
83.08614	1.8
88.19308	0.5
89.06026	4.7
90.06352	1.2
91.05473	1.7
93.07033	1.5
95.04978	1.0
95.08614	2.8
97.06519	0.6
98.12527	0.4
98.22693	0.8
107.04942	0.6
107.08603	0.5
108.05669	0.6
109.02873	1.4
109.06496	0.5
109.10180	1.3
121.06503	1.2
121.10138	1.0
123.04431	8.5
123.08077	0.7
123.11701	1.2
125.05957	1.7
133.08597	2.1
135.11690	0.7
136.05180	2.0
137.05959	2.1
138.06833	0.8
139.03883	0.5
139.07553	2.5
140.04680	0.6
141.05460	1.1
144.35678	0.5
151.03899	1.4
151.07555	3.4
151.32724	0.5
152.08331	2.1
153.05463	3.7
153.09113	1.5
155.06993	1.2
163.07616	0.7
165.05522	0.6
165.09119	0.9
166.06241	4.4
167.07057	2.1
167.49239	0.5
168.07816	6.1
169.04958	10.0
169.08589	1.0
176.08325	0.8
177.09004	0.5
177.11252	0.6
179.10667	0.7
181.04961	37.5
181.08549	11.0
182.05489	1.8
183.06567	6.3
183.10201	1.3
184.07317	25.1
185.07706	0.7
196.07314	88.0
197.07820	3.9
198.08881	6.7
199.09647	7.8
207.10164	3.5
209.08109	0.6
211.09657	100.0
212.10063	3.3
218.29373	0.5
221.11743	1.3
223.09593	0.6
223.20598	1.0
239.14919	3.6
240.15308	1.6
337.23926	0.5
347.25870	5.2
357.24155	2.4
389.26913	4.2
390.27283	2.8
408.28699	0.9
421.29498	28.3
422.29770	2.1
422.34985	0.6
439.30017	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
57.07070	0.9
67.05504	3.9
69.03448	0.5
69.07063	3.1
79.05499	3.4
81.07056	9.6
81.07498	0.8
83.05005	0.6
83.08189	0.6
83.08603	2.5
89.00963	0.5
90.83804	0.4
91.05476	4.7
93.07045	8.4
95.04987	0.6
95.08604	14.0
97.10208	1.1
98.97606	0.5
104.95259	0.5
105.07027	10.0
107.08589	12.2
109.06561	0.8
109.10157	7.2
116.98550	0.5
117.07053	2.1
119.08582	11.3
119.09402	0.6
121.10143	8.7
121.10966	0.6
123.11674	3.9
125.09607	0.5
128.06313	0.7
129.07062	1.3
131.08566	6.5
131.58585	0.6
133.10138	7.5
135.11694	5.5
137.13277	1.8
142.07802	1.0
143.08572	3.8
145.10127	8.8
147.11674	6.8
149.13245	3.9
151.14769	0.6
154.14281	0.5
155.08553	0.7
156.09309	0.6
157.10130	5.9
159.11690	6.8
161.09593	0.6
161.13266	5.2
161.14307	0.5
163.14841	2.0
163.73686	0.4
165.12810	1.2
169.10165	1.3
171.11662	4.4
173.13248	5.0
175.11295	0.6
175.14822	3.1
177.16504	1.0
179.14322	1.4
183.11778	0.9
185.13234	2.8
187.14815	4.1
189.12714	0.8
189.16397	5.0
191.14406	1.4
191.17935	6.0
193.15955	1.4
197.13387	0.8
199.14894	2.8
201.16376	7.3
203.14333	1.1
203.17946	4.4
205.15938	1.1
205.19684	0.6
207.17506	1.1
211.14871	1.7
213.16403	3.8
215.18077	1.3
217.15967	2.1
217.19597	1.8
219.17456	3.9
221.15494	1.4
227.18079	1.1
229.15996	1.0
229.19586	1.9
231.17430	5.6
231.21146	1.0
233.19069	1.2
239.17966	0.6
241.19556	1.1
243.21170	0.7
245.19113	0.7
245.22650	1.0
247.16983	0.7
247.20705	0.9
249.18576	4.2
255.21120	0.7
257.22672	0.6
259.20728	1.0
267.21277	0.6
269.22736	1.3
271.20642	0.7
274.97369	0.7
277.17810	0.6
281.22906	0.7
285.22198	1.1
297.25778	0.5
299.24036	0.7
369.53049	0.5
409.34848	1.2
421.34647	6.3
439.23160	100.0
439.35611	19.3
440.23486	8.4
440.36288	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05515	9.5
57.03426	3.0
57.07068	4.8
59.04993	1.4
65.10303	1.2
67.05501	14.7
68.81517	1.1
69.07068	20.6
69.86906	3.9
70.76238	1.2
71.08631	2.5
79.05478	9.9
81.07052	32.4
83.04979	1.4
83.08620	9.8
83.38908	1.2
85.06548	2.0
89.06020	13.5
89.06451	1.2
90.06388	3.3
91.05471	10.6
93.07041	15.9
95.04986	4.9
95.08604	47.1
97.06528	2.1
97.10160	2.9
99.08064	1.4
105.07024	18.4
107.08587	53.7
108.08929	1.7
109.06505	3.0
109.10149	35.8
111.08074	23.2
111.11726	3.5
117.07005	3.4
119.08579	15.0
121.06520	5.6
121.10141	28.8
123.08083	6.8
123.11697	53.2
124.12100	1.8
125.09619	2.3
127.11243	3.4
129.06993	1.5
131.08556	13.2
133.08607	5.3
133.10118	27.9
134.08968	2.4
135.08043	3.7
135.11684	15.0
137.09627	4.6
137.13237	9.1
140.58313	1.2
143.08543	8.1
144.09413	1.6
145.10110	18.0
147.08122	1.4
147.11656	15.4
149.09645	5.1
149.13239	8.0
151.14806	13.5
155.08492	1.5
156.09361	1.7
157.10129	12.4
158.10899	1.4
159.11705	23.7
161.09592	1.7
161.13271	7.9
163.11235	1.7
163.14828	10.4
165.12761	1.7
165.16373	2.2
169.10156	4.3
171.11682	16.4
173.09727	2.2
173.13280	17.8
175.14890	5.1
177.16380	14.2
181.15816	8.5
183.11671	8.0
184.12361	1.6
185.13246	14.5
187.11206	2.6
187.14801	10.6
189.12674	1.4
189.16432	6.4
191.18028	4.7
193.15958	1.6
195.11732	1.8
197.13269	7.8
198.13882	2.1
199.14745	6.4
201.12605	1.9
201.16374	25.7
203.18013	4.1
207.17479	2.7
209.13217	2.8
211.14851	5.0
212.15625	5.3
213.12794	1.6
213.16403	7.2
215.17979	3.7
217.19553	1.9
219.17424	8.6
221.19051	3.8
223.14833	2.1
225.16399	5.2
227.14398	1.4
227.17938	23.6
229.15976	2.2
229.19559	1.7
231.17412	3.7
233.18968	7.0
237.16422	1.9
239.14952	8.3
239.17984	5.9
240.15273	7.7
241.19392	5.8
243.17459	4.7
245.19008	22.0
251.17949	4.3
255.21025	2.2
257.19070	2.1
259.20773	2.0
261.18542	7.4
265.19440	8.7
267.21057	2.6
269.19031	3.5
269.22659	3.8
279.21130	1.9
283.20538	13.8
284.21048	1.4
293.22751	1.5
295.24405	2.1
297.22147	2.4
305.22284	1.3
309.25876	4.8
311.23901	2.7
311.27371	7.7
313.25250	1.8
321.25555	1.5
327.26810	22.6
328.27148	2.1
329.28351	2.7
335.27295	2.7
337.25333	1.9
337.29025	2.0
339.26904	1.7
349.28864	2.0
351.26678	1.5
353.28458	2.2
363.30530	2.0
365.28458	2.6
381.31940	1.6
403.33591	14.8
421.34610	82.9
422.34985	7.6
439.35748	100.0
440.36044	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	440.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	9.4
69.59778	5.0
75.51632	1.4
94.92797	1.1
97.02916	2.2
98.23131	3.9
98.97581	75.8
102.57371	1.1
116.98624	46.4
119.01965	1.3
134.99666	14.8
172.94299	1.4
174.97758	1.9
177.01013	3.8
178.00893	1.3
190.95358	1.5
214.95508	5.3
219.01927	8.5
221.01794	1.6
232.96573	9.8
243.02081	3.3
250.97693	4.0
254.93459	1.9
256.96558	24.6
258.97327	1.5
258.99814	9.5
259.99982	1.9
261.00165	1.2
261.03055	27.0
262.03171	4.3
263.02856	5.9
264.03058	3.3
265.02676	2.1
270.91507	1.9
272.94373	4.8
274.97540	100.0
275.97906	2.9
277.00806	7.7
282.99976	9.2
284.00128	2.1
284.99860	3.1
286.00009	1.7
286.99521	1.5
288.92365	3.5
290.95407	1.7
292.95218	2.3
292.98569	45.0
297.99197	2.1
298.14923	1.2
298.97742	15.4
299.09756	3.6
299.98022	1.6
300.97943	2.3
301.01108	7.7
302.01218	2.2
303.00885	3.9
312.92361	1.7
316.00192	1.6
316.98837	19.7
317.98944	2.7
318.98730	2.1
330.93427	3.2
354.93436	6.4
355.94092	1.3
356.96515	1.8
372.94406	9.4
380.96902	6.0
392.88013	4.3
397.94611	3.1
398.93890	4.2
398.98331	15.3
410.89200	11.2
411.89114	3.7
412.88635	1.5
415.95807	3.2
416.99435	11.5
425.45758	2.0
428.90015	5.8
429.90527	2.0
434.89197	7.2
434.99249	1.9
440.19760	12.1
440.99045	17.4
445.01297	1.3
452.90158	8.2
458.99966	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	440.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
57.03411	0.5
65.03938	0.9
67.05502	0.5
68.99787	1.2
69.03426	0.7
69.44438	0.5
69.44773	1.6
70.06587	0.5
79.05481	0.7
81.07065	2.2
81.84503	0.4
83.04991	0.6
83.08605	0.4
85.02906	1.2
91.05476	0.9
93.07040	0.6
95.04971	0.7
97.02864	0.6
98.22732	0.7
99.04493	0.7
107.05027	0.5
109.02882	0.5
109.06518	2.7
111.00806	1.6
111.04446	1.3
113.06030	0.6
115.23380	0.4
118.43533	0.4
119.08620	0.7
121.02878	0.9
123.04430	1.1
123.08042	0.6
124.03918	0.7
127.03944	0.6
127.07595	0.7
133.02824	0.5
135.04445	0.6
137.05989	3.5
139.03903	100.0
140.04216	2.6
151.03902	6.5
153.01817	0.5
155.07036	0.9
157.06570	0.4
161.09688	0.7
163.03914	7.0
173.08070	0.5
174.05528	0.5
177.05356	0.6
179.03410	0.5
179.07034	0.9
181.04974	1.4
189.09096	0.7
198.36478	0.4
205.05020	1.7
207.10127	0.8
207.13892	0.4
211.09671	0.7
215.12636	0.4
225.11182	1.1
225.14790	0.6
229.10747	4.5
243.12228	0.7
247.11772	0.6
289.07065	28.5
290.07202	0.9
416.85745	0.5
433.55170	0.5
440.16211	0.9
441.17300	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	440.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.01877	0.7
57.03432	0.9
61.02917	1.5
69.03435	4.3
70.19962	1.0
70.20296	0.5
71.79153	0.4
73.02922	0.8
75.19003	0.6
81.03416	100.0
82.03755	1.6
83.04967	0.6
85.02904	22.5
86.03223	0.4
91.03944	1.0
91.45356	0.4
95.04946	0.7
97.02894	6.3
98.97579	1.2
99.04447	1.5
109.02894	1.8
123.04409	0.6
125.02135	0.8
127.03904	5.2
145.04964	9.8
163.06004	3.4
201.00798	0.8
204.81859	0.4
215.61420	0.4
219.06349	0.7
225.07616	1.1
243.08723	0.8
245.04471	0.4
261.02853	1.2
278.07623	1.7
279.03998	0.5
279.08569	2.0
298.25931	0.4
380.68973	0.4
440.10291	2.4
441.13968	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55104	0.5
58.58369	0.5
59.60144	0.5
69.25996	3.1
71.04964	0.7
78.04707	2.0
79.05482	3.0
81.03404	0.7
81.07059	1.0
83.04982	0.7
85.02882	1.3
87.04488	0.6
88.81979	0.5
91.05462	1.6
93.07018	1.6
95.04964	1.5
95.08597	0.8
97.02899	0.6
97.06502	0.6
103.05475	4.0
103.95366	0.6
105.04524	0.6
105.07047	5.6
106.04166	1.8
107.04946	7.7
107.08584	0.9
109.06470	0.7
115.03873	0.7
115.05419	0.9
119.04930	0.9
121.06499	2.1
123.04425	5.5
124.05190	2.6
129.06998	0.9
131.04906	6.8
131.08606	1.1
133.06479	5.2
134.03539	0.7
135.08047	1.1
135.38622	0.6
136.06184	3.4
136.92305	0.6
137.05968	2.5
141.06966	0.9
143.06075	0.7
143.08545	0.9
144.05762	0.8
145.04970	0.7
145.06485	2.4
147.04395	1.4
148.07492	1.0
149.05931	0.9
151.03905	1.2
151.07521	3.2
152.04692	2.5
157.06462	0.7
157.12257	1.4
158.07310	0.7
158.89806	0.6
159.08011	1.1
160.05249	0.7
161.05974	5.5
163.07535	12.6
165.09096	0.7
167.07030	100.0
167.49217	0.6
168.07433	2.8
173.05965	1.3
173.09695	0.8
175.07574	1.7
177.09082	2.2
179.06978	2.9
181.08566	4.3
187.07556	2.3
192.07843	0.9
193.08601	16.4
194.08974	0.8
197.21692	0.6
201.09070	1.5
203.08560	0.7
205.08568	1.2
207.10194	0.7
212.37627	0.6
219.10162	1.9
221.11552	0.6
233.11720	3.0
237.11192	2.8
243.15887	1.8
251.12767	1.4
291.10132	0.8
323.12894	2.9
355.15372	10.3
387.17966	6.8
388.18240	0.8
397.18176	2.5
405.19119	9.1
422.23972	1.3
440.23587	12.9
441.16922	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05511	5.4
57.03429	4.3
57.07072	3.7
59.04997	2.5
66.54741	1.2
67.05492	8.6
68.30970	1.2
68.99787	1.7
69.03414	4.5
69.07069	5.4
69.68391	2.4
69.68778	3.5
70.06579	2.5
71.05001	6.1
73.02901	4.9
78.74988	1.3
79.05499	2.6
81.07056	24.5
83.04997	3.8
83.08636	1.9
84.08157	1.8
85.02888	13.9
85.06537	8.2
86.09647	1.8
91.05486	6.0
93.07046	5.9
95.01323	1.6
95.04990	5.1
95.08598	24.4
97.02896	4.0
97.06542	3.2
97.10154	3.6
99.04455	35.9
99.05083	2.5
99.08099	5.8
101.02419	1.3
105.07039	7.8
107.08591	11.6
109.02879	2.3
109.06522	15.6
109.10146	13.3
111.04421	7.4
111.08073	5.0
113.02365	3.0
113.06023	7.1
113.09602	1.9
115.03905	2.3
117.46867	1.3
118.06540	2.5
119.08575	17.4
121.10162	13.3
122.05976	1.9
123.08051	14.9
123.11674	6.6
125.09653	1.9
127.03903	2.0
127.07560	13.3
127.11203	2.3
131.03333	1.5
133.10127	3.2
135.08015	2.9
135.11714	5.2
137.05959	15.4
137.09607	10.4
137.13258	4.2
139.03903	13.9
139.11205	2.4
141.01848	3.6
141.09090	4.7
144.04422	6.3
145.04866	1.6
146.05989	11.9
147.07999	1.5
147.11687	11.1
149.09619	6.2
151.03932	2.4
151.07574	1.9
151.11214	6.4
155.06982	1.5
155.93340	1.3
159.03011	1.6
161.13248	17.9
162.05493	50.7
163.03937	1.8
163.05859	2.6
163.11147	7.3
165.12740	9.8
169.08662	1.7
169.12294	1.5
171.11644	2.9
173.08109	1.8
174.05495	35.7
179.14323	9.2
181.12299	3.3
183.13762	2.8
189.12744	10.2
190.04974	35.9
192.06462	7.8
199.13263	6.4
207.13799	43.6
208.14149	1.9
211.09721	1.7
213.22139	1.3
225.14836	100.0
226.15184	5.3
229.10739	13.8
243.15897	18.0
246.07594	6.5
264.08667	34.9
265.08881	2.8
289.07053	2.8
295.45258	1.4
301.11975	1.7
354.11859	6.0
370.69263	1.4
396.12906	3.4
422.14371	1.9
440.11420	16.9
440.20230	10.3
441.12170	3.6
441.17746	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05511	6.4
57.03431	3.2
57.07059	1.9
59.04996	2.1
67.05499	6.4
69.03429	4.4
69.07067	6.7
69.60831	3.3
70.06570	1.4
71.04980	2.9
71.08661	0.9
71.28226	1.0
73.02905	1.2
79.05487	5.2
81.03434	1.4
81.07053	29.4
83.04992	3.8
83.08626	1.7
84.08141	4.9
85.02903	12.1
85.06535	4.1
87.04507	0.9
91.05488	2.6
93.07011	4.8
95.05000	4.6
95.08611	16.9
97.02878	2.0
97.06520	3.4
97.10167	2.9
98.82589	0.9
99.04446	16.9
99.08087	7.0
103.05461	1.2
105.07027	7.2
107.04949	1.0
107.08593	12.2
109.02877	1.2
109.06516	11.5
109.10159	8.0
111.04449	2.8
111.08079	2.8
112.83802	1.0
113.05997	4.3
115.03954	2.5
115.07561	1.3
119.08577	9.3
121.10139	9.0
123.07213	1.8
123.08061	12.0
123.11718	9.5
125.09628	3.2
127.03915	4.4
127.07537	5.4
131.04910	2.7
131.07088	1.1
131.08589	1.1
133.10138	3.5
135.08038	5.1
135.11676	3.9
137.05949	8.4
137.09630	4.2
137.13232	7.5
139.03896	26.4
139.07516	1.6
139.11266	1.2
141.09114	4.1
145.04924	1.5
145.10085	2.1
147.08130	1.5
147.11664	9.4
148.12059	1.0
148.58028	1.0
149.09625	4.8
151.03870	2.4
151.07579	6.2
151.11214	6.4
153.01842	4.3
155.07022	2.2
161.09641	1.7
161.13260	8.9
163.03903	2.0
163.07587	1.4
163.11198	3.7
165.12749	11.0
169.04993	1.7
171.11684	2.7
173.08115	1.4
174.10468	1.2
175.69748	1.0
179.14276	7.8
181.12172	1.3
183.13832	5.4
189.12714	10.0
190.04974	1.6
207.10168	1.7
207.13809	23.7
225.14845	100.0
226.15202	4.1
229.10701	8.1
243.12122	2.2
243.15919	34.5
264.08752	1.2
282.16913	1.4
289.07083	6.7
292.19049	1.0
417.49667	1.2
440.15588	2.3
441.17368	18.2
441.22433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44427	5.9
67.05511	7.4
69.55337	25.2
70.00163	5.6
74.19550	5.7
81.07064	14.7
89.06043	7.0
89.97373	5.8
95.08617	10.3
99.08122	11.5
105.47326	6.2
136.58606	6.5
137.05920	14.0
139.07524	20.2
141.05467	13.8
141.17284	6.8
153.05481	11.5
167.07033	84.4
169.98865	7.7
177.09210	8.2
180.77361	6.5
195.17412	9.7
197.08096	26.4
313.21817	11.3
313.25055	7.0
317.21188	7.4
331.22687	11.1
345.24329	15.4
349.23679	100.0
350.24127	9.7
391.24557	8.7
399.23660	10.7
440.30124	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	440.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
61.73964	0.9
65.03934	1.0
67.05487	2.4
69.07061	2.5
71.20917	1.0
74.09138	0.9
79.05508	2.0
81.07040	3.1
93.07021	1.5
95.08624	1.8
96.08933	0.8
97.06515	3.4
105.07004	1.2
107.04942	2.8
107.08594	1.0
109.02882	0.8
109.10176	2.0
110.03672	1.4
111.04484	1.0
119.08556	1.1
121.10153	1.7
123.04436	2.4
125.05987	15.1
127.03909	1.7
133.10088	1.2
137.05984	1.1
138.03108	2.7
139.03886	2.6
145.10092	0.9
147.11647	1.0
149.05971	2.3
149.93921	0.8
153.05463	100.0
154.05762	2.2
159.11829	1.0
160.95708	0.9
162.95891	0.9
163.07520	4.4
165.09059	1.5
171.69116	0.8
177.09099	2.2
182.79520	0.8
271.20551	0.9
277.51877	0.9
289.21420	1.6
303.23041	2.1
321.24231	40.5
322.24420	2.8
339.25211	1.7
363.25113	2.0
381.26199	2.5
422.34982	1.6
425.96356	0.9
440.29816	1.5
440.35840	3.4
441.33099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45476	1.4
55.05507	5.4
57.07060	3.0
57.68485	1.7
62.44436	1.4
67.05491	5.3
69.07053	5.8
69.08964	4.4
69.09389	5.1
71.08334	1.3
71.08632	15.8
79.05492	5.1
80.48933	1.4
81.07047	13.0
83.08610	6.4
85.10162	2.4
89.06023	8.3
91.05483	5.9
93.07053	7.3
95.08604	7.1
98.22717	3.9
99.08088	14.2
103.27393	1.3
105.07033	3.0
107.04965	1.6
107.08593	3.4
109.10172	4.1
119.08558	2.8
121.06509	19.7
121.10155	3.7
123.04461	2.5
123.08083	3.0
123.11682	1.7
124.05202	1.7
125.06022	1.5
133.08519	2.6
133.10144	2.2
135.08040	2.8
137.05969	6.7
138.06776	10.4
139.07544	5.2
142.00740	1.6
149.06059	1.6
151.07545	7.5
152.04680	13.3
153.05449	11.7
153.09120	21.2
153.36691	1.6
163.07552	1.5
165.09106	6.8
166.06161	2.0
167.07034	65.9
168.07393	2.0
175.07619	1.6
177.05421	2.0
177.09088	3.2
177.16402	3.5
181.08588	100.0
182.08931	3.5
193.08694	2.4
195.17387	10.9
197.08035	3.6
201.09096	3.0
205.12132	2.4
207.10185	7.1
209.11722	3.0
215.10667	2.1
217.12233	3.0
221.11696	3.2
229.12273	2.3
231.13750	1.5
233.11644	1.5
249.14720	1.5
291.23071	1.7
311.25851	1.6
313.21609	8.0
315.17938	2.5
323.61304	1.6
325.27304	1.6
331.22812	1.7
345.24298	9.8
349.23694	26.9
363.25305	50.3
364.25693	2.3
367.16995	1.6
391.24231	2.3
407.05148	1.6
414.26529	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75797	1.0
56.96565	16.1
62.20391	1.1
71.24499	1.6
74.17858	1.1
75.81651	1.0
84.96030	9.1
97.02898	1.4
98.91933	3.3
98.97581	98.7
103.81158	1.1
106.00615	1.2
110.97571	36.6
112.99122	2.1
114.67256	1.2
116.98624	33.6
122.69018	1.0
124.99107	3.1
127.00684	1.6
128.98608	23.7
131.00174	1.7
134.99654	4.6
140.98572	14.1
142.57060	1.0
143.00172	15.7
146.99669	7.2
152.98582	6.6
155.00140	1.3
158.99648	38.6
161.01205	8.0
170.99649	31.1
177.00723	28.4
180.97470	1.9
182.99667	23.2
189.00719	24.4
194.99763	1.5
195.01727	1.6
201.00711	55.9
207.01762	4.8
213.00720	4.4
219.01768	43.8
224.02299	1.4
231.01816	5.7
233.58492	1.2
237.02805	16.2
243.01770	24.0
261.02823	100.0
262.02988	2.4
273.02780	11.1
279.03891	54.6
280.04395	1.9
291.03900	17.8
297.04752	2.9
302.05338	2.3
303.03778	1.8
309.05002	3.3
321.04898	46.5
321.08621	2.9
322.05359	1.5
333.04813	6.5
351.06009	10.8
365.10410	1.9
381.06885	5.8
399.07843	3.1
423.09238	1.4
435.53287	1.2
441.09225	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	11.5
57.97704	1.2
63.69360	1.1
69.61846	4.3
70.06567	1.7
71.95728	1.3
81.03420	2.0
84.96033	5.5
86.09727	2.4
87.91930	1.5
98.97582	96.8
110.97563	32.8
114.78227	1.2
116.98624	30.8
124.99151	3.0
127.00744	1.3
128.98608	24.3
131.00262	1.4
132.10225	2.4
134.99669	5.0
137.32623	1.2
140.98611	8.7
143.00175	13.1
144.98100	1.3
146.99625	8.1
152.98616	6.4
158.99660	35.2
159.00961	2.2
160.53937	1.3
160.58649	1.2
161.01242	7.9
162.98964	1.3
170.99648	30.0
174.99191	1.5
177.00706	34.8
182.99651	20.3
189.00700	28.5
194.99567	2.0
195.01775	1.4
201.00710	54.3
203.02205	1.4
207.01801	4.8
213.00764	5.6
219.01765	48.4
225.00743	1.3
231.01756	4.5
237.02820	17.2
243.01778	19.9
261.02823	100.0
262.03247	2.1
273.02786	10.4
274.97513	1.5
275.52441	1.2
279.03879	55.8
291.03857	17.4
297.04996	3.0
302.05432	1.6
303.03812	1.7
309.04919	1.8
321.04907	43.3
322.05441	1.5
333.04770	7.1
351.06027	8.8
364.77472	1.4
373.42056	1.4
381.06851	3.4
399.08087	4.3
441.09192	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35052	1.1
65.27724	1.0
69.58923	2.5
69.59305	1.9
72.93764	1.2
83.04977	1.4
84.67911	1.0
85.02871	1.2
97.02847	1.7
97.46812	0.9
98.22790	1.3
110.42848	1.0
131.04881	1.4
132.05191	1.1
139.03870	4.4
140.04155	1.5
140.07089	1.4
147.04399	2.0
153.01732	1.2
161.05882	1.1
163.07465	1.3
164.07928	1.1
188.78938	1.2
193.04791	5.5
210.96645	1.2
227.05191	1.5
262.07486	1.5
271.04178	1.4
278.99503	1.4
290.07538	1.6
297.00430	4.2
320.99265	1.5
321.98322	1.1
355.09955	12.0
381.06192	1.2
397.11026	54.2
398.11325	1.5
418.01431	1.8
423.04849	1.2
441.09750	100.0
442.10104	4.3
469.24603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31897	0.5
51.77577	0.4
57.77736	0.4
58.70376	0.4
65.84969	0.4
69.64197	0.4
70.34758	1.0
72.46968	0.5
95.86018	0.4
96.32385	0.4
96.60860	0.4
98.02839	0.6
104.47372	0.4
128.20107	0.5
177.01709	0.6
192.03912	6.5
193.04697	3.6
198.36464	0.5
227.05295	0.8
235.65170	0.5
265.17313	0.5
271.04156	0.9
287.07376	3.7
291.04587	0.7
309.05661	0.9
355.10031	1.9
397.11090	10.6
398.11368	0.8
423.09122	2.8
441.10034	100.0
441.20779	8.7
442.10425	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	441.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47355	2.0
56.96563	6.6
57.03423	2.9
59.16249	1.8
60.29239	1.7
63.67504	2.0
66.83297	1.7
67.05497	2.2
69.03442	3.6
69.07072	7.7
70.06621	1.8
70.79116	3.1
74.47495	1.8
75.29723	1.9
79.05490	2.4
83.08625	3.9
84.96064	1.9
85.02904	6.0
91.05482	2.3
95.08619	1.9
97.02882	3.7
98.97590	11.1
100.11256	3.0
110.97608	6.0
111.08138	2.9
115.07529	2.8
116.98623	4.8
119.08633	2.5
121.10139	2.7
127.03939	2.8
128.98602	4.9
129.12764	2.8
136.07590	1.9
137.02388	3.9
137.05994	1.8
139.03957	2.1
147.04417	3.1
148.07613	4.6
152.98468	2.8
153.01825	5.6
154.97871	2.4
158.99738	2.9
161.01190	2.4
177.00708	3.3
189.09090	2.2
193.08482	2.9
195.01137	2.6
199.13329	8.5
200.13615	4.6
207.03366	4.1
213.11208	3.7
219.01733	4.5
231.12369	4.3
237.02835	6.8
274.61472	2.9
279.08575	6.1
297.08017	2.3
302.12476	2.2
309.06610	2.5
327.07437	15.4
375.08514	2.5
414.75818	2.2
423.14206	8.0
423.33182	4.0
441.11600	100.0
441.16177	5.2
441.24725	3.8
442.12213	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.6
53.03954	0.5
53.31818	0.4
57.12626	0.4
65.03938	1.7
68.99791	1.9
69.45352	1.7
77.03896	0.5
79.05483	0.7
83.04987	0.7
85.02887	0.7
91.05485	0.5
95.04945	1.4
105.03398	0.4
107.04984	0.6
111.00835	1.9
111.01534	0.4
111.04430	2.6
119.04925	0.4
121.02831	1.2
123.04450	0.9
133.10117	1.2
134.10440	0.5
135.04411	20.1
136.04694	0.5
137.05930	0.6
137.09618	0.5
138.09915	0.5
139.03894	100.0
140.04248	2.0
151.03900	3.5
153.05330	0.7
157.01300	0.4
161.05943	4.5
163.03914	6.2
163.07497	0.5
175.07523	0.6
177.05414	0.5
179.03473	0.5
179.07068	1.1
192.14711	0.5
193.12227	1.0
203.05313	2.0
203.06955	0.7
205.04965	2.1
217.08296	0.5
217.12238	1.2
237.79315	0.4
259.13315	0.6
261.18344	1.1
289.07071	23.9
290.07410	1.3
301.14096	0.6
324.22131	0.5
397.18201	3.8
440.23227	3.1
441.17075	17.3
441.24246	19.6
442.17297	0.9
461.19006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21017	0.3
52.82875	0.3
54.56243	0.4
54.95412	0.3
65.38528	0.3
69.03418	0.3
69.07086	0.7
70.49915	0.3
85.02892	0.7
129.12737	0.3
136.06261	0.6
137.02350	0.9
139.03905	0.4
141.81187	0.3
151.03836	0.3
153.01848	0.7
160.11221	0.4
185.04205	0.4
199.13191	0.4
201.99586	0.3
203.05222	0.8
212.42905	0.3
249.03650	0.5
263.05270	10.9
264.05954	1.8
279.08356	6.4
280.09006	0.3
358.61795	0.4
361.02228	0.4
411.08804	0.4
426.11078	0.5
440.23544	0.5
441.13666	100.0
441.24112	3.9
442.14035	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	441.137
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
54.65065	0.3
68.99818	0.3
70.06568	0.6
70.41782	0.3
78.81237	0.3
85.02893	0.5
103.64018	0.3
127.03922	0.4
129.12715	0.4
137.02335	1.2
139.03922	0.6
150.07758	0.4
153.01830	3.8
153.02939	0.5
179.03400	1.3
181.12363	0.3
185.04201	0.6
199.13380	0.4
203.05275	0.7
221.54112	0.3
249.03755	0.3
263.05264	9.7
264.06073	2.0
271.06061	1.2
279.08389	5.8
303.05127	1.3
325.61880	0.3
351.13730	0.3
385.90753	0.3
426.11212	0.7
440.23325	1.6
441.13672	100.0
441.23889	6.1
442.13892	6.0
442.23581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1368
Annotation	Tyr-His-OH
Peak:m/z	Relative Intensity
50.70686	0.7
53.03942	1.4
56.96553	1.1
57.12056	0.7
69.03444	1.6
71.23862	0.7
74.25791	0.6
81.03416	17.5
82.03738	6.9
84.96021	0.7
85.02897	5.3
86.03279	0.8
97.02934	2.0
98.97575	3.7
103.41359	0.7
110.97600	1.7
116.98587	1.7
125.02100	5.5
127.03919	0.8
128.98647	1.6
139.03914	1.3
145.05003	1.8
158.99707	1.0
177.00761	1.7
189.00708	1.3
193.04762	1.2
201.00812	1.9
219.01917	2.1
219.06451	2.1
237.02876	0.8
237.06320	0.8
243.01862	0.9
245.04553	1.5
260.06552	0.9
261.02991	3.6
261.06247	1.2
278.07571	8.4
279.03882	1.9
279.08386	10.6
279.11087	1.2
297.00134	0.9
315.04843	1.5
321.05020	1.6
321.08435	1.9
353.02405	1.3
397.11307	2.3
399.02612	1.2
423.07346	1.6
441.13934	100.0
442.14093	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	441.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	12.1
67.05476	3.0
69.07064	2.9
81.07067	16.8
84.96016	7.6
89.07986	2.2
93.07059	2.8
95.08607	6.1
97.96785	3.2
98.97582	100.0
105.07047	4.1
110.97588	13.1
112.99136	19.6
116.98618	31.3
128.98622	8.3
131.00163	17.0
134.99689	8.9
140.98596	4.7
142.96553	2.5
143.00136	3.8
144.98080	6.7
145.10141	3.2
149.01231	5.4
156.98087	2.7
158.99657	36.5
159.11667	3.2
169.74884	2.5
170.99654	7.3
173.01201	24.4
173.76598	2.2
177.00719	26.5
184.97615	3.1
189.00696	4.3
191.02322	12.0
201.00740	6.7
210.11441	2.7
219.01747	19.6
233.29146	2.6
237.02834	17.4
237.51990	2.8
244.99640	9.5
253.02333	3.7
273.60468	2.5
287.03360	2.8
303.01355	3.1
330.20572	4.4
347.10995	2.3
355.14279	50.3
373.15302	36.0
396.16815	3.4
397.15335	40.2
415.16354	7.8
416.54364	2.7
440.28033	3.2
441.15283	42.2
441.24344	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	441.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01861	4.8
55.05509	1.8
57.03432	11.6
61.02922	4.8
64.44212	1.0
67.05511	1.0
69.03123	1.3
69.03433	17.7
69.07073	5.5
69.47240	4.6
71.01344	2.0
71.04992	26.6
73.02917	15.4
75.04482	8.3
79.96690	1.3
81.03408	7.5
81.07048	1.3
83.04969	11.1
85.02904	100.0
86.03226	1.2
87.00819	4.3
87.04443	2.5
95.04964	1.9
97.02892	26.6
98.86256	1.2
99.04440	4.2
103.03925	3.0
105.01849	3.5
107.04910	1.3
109.02884	5.9
111.04421	7.6
113.02315	1.2
115.03925	19.9
121.10117	1.2
125.05985	2.2
127.03905	13.9
127.20423	1.1
129.05469	21.4
133.04958	14.6
135.39224	1.1
137.05989	14.2
139.03885	2.3
145.04967	14.7
147.06508	12.5
151.07364	1.0
153.05457	1.5
157.04913	1.3
159.02867	4.0
161.05977	2.0
163.06023	4.9
165.07539	1.8
169.06334	1.2
193.12239	17.0
195.06508	1.3
199.05826	1.1
205.35310	1.1
217.12274	4.0
223.05969	2.5
225.07458	7.9
235.13332	2.0
241.07069	2.1
243.08701	3.7
255.08505	1.3
259.08072	3.5
259.13400	1.9
261.09650	1.6
279.10767	4.5
295.10248	1.4
301.14307	2.0
309.11710	2.0
440.22681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
50.70866	0.5
62.87041	0.4
71.04960	0.4
77.92686	0.5
93.07069	0.9
101.86475	0.4
113.07627	0.6
121.22147	0.4
185.04208	1.1
191.31075	0.4
193.12036	2.1
203.05228	0.6
221.11545	0.8
227.05302	0.6
235.13101	0.5
245.06389	3.4
289.05295	3.1
355.17264	10.2
379.17227	1.1
397.18323	27.6
398.18851	1.5
441.17310	100.0
442.17670	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	441.1733
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
67.05492	0.5
69.49568	1.8
79.05469	0.5
83.08624	0.4
85.14571	0.4
87.41749	0.4
91.05484	0.9
93.07034	4.3
93.18443	0.4
95.04937	0.5
95.08598	0.9
98.23462	0.9
100.11248	1.7
107.08576	1.9
114.09171	0.7
135.11664	0.7
142.12248	0.9
156.13847	0.7
167.03252	0.5
171.28127	0.4
175.07607	0.5
185.04144	0.5
193.12056	1.4
203.05302	1.3
227.05252	0.7
243.04779	0.5
245.06352	3.7
245.11639	0.9
245.47050	0.4
271.04257	1.1
287.03702	4.6
289.05292	25.1
290.05621	1.0
354.47867	0.4
355.17285	2.1
397.18332	9.6
423.16272	1.4
441.17294	100.0
441.24023	7.3
441.34259	1.7
442.17560	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	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50665	0.7
64.86050	0.7
68.94073	0.8
69.77394	0.7
70.67780	1.2
105.80680	0.7
108.25398	0.8
185.04202	0.8
193.12045	3.6
193.56088	0.7
199.06613	0.8
203.05342	0.9
204.02481	0.8
245.06456	3.5
289.05365	2.9
355.17340	10.6
397.18341	31.2
398.18597	2.2
441.17310	100.0
441.24051	3.3
442.17688	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Taraxafolide
Peak:m/z	Relative Intensity
53.03940	0.8
67.05501	0.9
69.03419	0.8
70.00546	2.2
81.03409	1.3
81.07053	0.9
85.02890	1.3
85.69624	0.8
86.09720	0.8
87.85205	0.7
93.07030	1.1
97.02893	1.3
107.08604	1.6
109.10178	0.9
120.38709	0.8
121.06486	1.2
127.03962	0.9
136.06187	1.6
137.02338	1.2
139.03873	0.9
153.01863	1.1
156.81389	0.8
191.07031	1.2
193.12083	2.0
201.12740	1.2
203.05223	1.2
232.84618	0.8
237.33733	0.7
239.09946	0.9
243.04779	4.9
245.06323	2.1
271.04242	1.1
287.03738	48.6
289.05331	20.3
355.16916	0.9
397.18378	7.4
423.16260	5.1
441.06628	3.1
441.17255	100.0
441.23257	4.7
442.17667	6.1
455.84464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
53.59802	0.3
73.55530	0.4
93.07047	0.7
102.94054	0.4
107.08595	0.5
137.02296	0.4
148.92360	0.4
163.07516	0.4
183.81619	0.4
193.12048	2.0
203.05148	0.4
223.47913	0.5
227.05255	1.4
271.04141	0.8
273.11963	0.4
287.03488	0.9
289.05173	0.6
308.02390	0.4
337.16153	1.0
337.94537	0.4
355.17221	5.1
356.17929	0.5
379.17239	2.1
396.31985	0.4
397.18301	24.2
398.18607	1.6
400.66547	0.4
423.16193	5.7
441.17209	100.0
441.24274	23.2
442.17548	6.6
442.24579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42507	0.5
53.82102	0.6
56.96547	0.8
58.95618	0.5
65.88286	0.6
69.18167	0.6
69.98990	1.7
71.04986	0.6
73.89883	0.5
76.83678	0.6
79.05502	0.7
79.57557	0.6
82.27473	0.5
93.07021	0.9
98.23405	0.7
107.08535	0.6
137.06097	0.5
163.07510	0.6
180.37718	0.6
191.96490	0.5
193.08681	0.6
193.12035	2.1
203.05273	0.9
227.05237	1.1
245.06253	1.9
279.05365	1.4
287.03683	2.5
289.05295	13.6
289.97269	0.6
297.06506	4.5
297.09460	0.7
315.07410	0.7
355.17291	6.2
379.17068	1.0
397.18274	27.2
398.18442	1.5
401.02884	0.6
403.87122	0.7
423.16107	1.8
441.17169	100.0
441.23801	9.9
442.17645	5.1
442.23416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01873	3.0
57.03432	1.5
61.02924	1.5
67.05498	0.7
67.99081	0.4
68.99789	1.1
69.03426	6.8
69.07069	9.9
70.78266	0.6
71.04991	1.6
73.02922	2.5
77.03933	0.3
77.36568	0.3
79.05489	2.4
81.03418	7.4
81.07047	1.2
85.02904	18.9
87.00822	7.9
87.01324	0.6
91.03951	0.9
91.05482	1.1
94.04185	0.4
95.05004	0.8
97.02885	7.2
99.04440	3.9
105.01865	5.3
105.04500	0.5
105.07030	0.5
107.04948	4.9
109.02180	0.5
109.02876	7.4
109.06514	3.1
110.03667	0.3
113.11984	0.4
117.01851	1.2
119.04941	0.6
119.49583	0.3
121.06503	0.4
123.04422	0.4
125.05989	4.9
125.06824	0.6
127.03912	14.1
129.01846	1.6
130.45282	0.3
133.06474	0.6
135.05544	1.4
137.05974	85.3
138.06294	2.0
145.04953	5.6
147.02890	0.9
147.04422	0.3
147.08047	1.0
149.05988	0.5
151.07547	2.5
158.99480	0.4
159.02878	5.9
159.16222	0.3
160.05219	0.4
161.05957	5.2
161.09642	0.4
163.07532	1.2
163.66512	0.3
165.26733	0.4
174.06796	0.4
175.07541	2.2
177.03839	0.3
179.07025	2.6
189.03911	0.6
189.12733	0.6
193.12236	100.0
194.12581	3.8
203.10641	0.9
205.12183	1.5
217.10289	0.6
217.12230	7.2
218.12758	0.4
229.12265	1.0
231.04935	1.8
231.13794	0.5
235.13281	5.7
236.13556	0.3
255.13820	0.8
259.13354	3.4
274.97467	0.3
283.13260	2.2
292.98337	0.4
301.14301	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2097
Annotation	Ala His Val Asp
Peak:m/z	Relative Intensity
51.92686	1.0
54.92096	1.0
55.25844	1.0
58.85273	1.1
69.67075	2.3
69.67457	2.7
73.48779	1.3
75.86684	1.0
79.05506	1.7
90.02738	1.0
93.07053	4.9
119.08576	3.1
121.10154	4.6
123.04426	2.2
124.04817	1.2
139.03893	2.6
146.41556	1.2
149.09625	1.4
169.76259	1.2
184.92027	1.1
191.02498	1.1
207.06631	1.3
216.16519	1.1
223.93947	1.1
273.14752	1.4
275.05389	2.0
279.19260	1.5
365.19363	1.6
397.21988	3.8
411.30853	1.4
441.20761	100.0
441.25055	63.9
442.20718	3.7
442.25143	5.1
442.35272	1.1
444.12833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2403
Annotation	Alalakine
Peak:m/z	Relative Intensity
55.00029	8.7
58.91202	8.4
60.56061	8.0
66.19446	9.2
66.92819	9.0
68.45383	9.6
69.41383	34.4
72.04536	11.0
91.24232	8.7
98.22614	10.3
174.43814	9.8
207.86818	10.1
441.23837	100.0
441.32904	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	441.246
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.73707	0.3
53.03932	0.3
58.07632	0.2
69.03442	0.3
69.07071	1.5
70.65292	0.4
73.02903	0.4
76.42767	0.3
81.03403	0.5
85.02917	1.8
87.00819	0.7
97.02910	0.9
97.44942	0.3
100.78238	0.3
107.01196	0.3
107.04936	0.6
109.02892	0.8
117.91810	0.3
125.06042	0.3
127.03923	1.1
137.05966	7.7
137.07004	0.4
145.04950	0.6
159.02872	0.5
161.06023	0.4
163.07526	0.4
170.33534	0.3
170.50241	0.3
175.07538	0.4
177.05470	0.6
184.24828	0.2
191.39317	0.2
193.12233	10.3
194.12552	0.3
203.05254	0.8
205.12296	0.4
210.14995	0.3
217.12228	0.9
235.13303	0.8
261.18314	0.3
265.15369	0.3
283.13580	0.4
301.14462	0.4
382.10037	0.3
411.23303	0.3
411.83640	0.3
423.23486	1.8
441.24567	100.0
442.18921	0.4
442.24957	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	441.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22758	0.4
60.94183	0.4
67.05519	0.6
69.07067	0.4
69.25050	2.3
71.48729	0.3
78.83791	0.5
81.07064	0.8
85.02898	0.5
93.07023	0.7
94.29809	0.4
105.01831	0.5
105.07040	0.6
107.08568	0.4
121.10131	0.7
125.42754	0.4
127.03914	0.5
168.94221	0.4
201.03726	1.0
203.05257	6.1
261.18195	2.9
263.19858	1.3
269.17548	0.4
279.19394	0.4
343.97858	0.4
355.17252	1.3
397.18320	4.4
412.62616	0.5
441.17480	14.0
441.24561	100.0
442.18451	0.7
442.24915	7.1
454.94138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
63.08701	0.4
67.05490	0.5
69.03426	1.6
69.07070	1.1
69.39474	1.5
81.07057	0.7
85.02897	2.2
86.06060	0.4
91.05458	0.4
93.07035	0.6
97.02895	1.2
98.23476	0.7
101.07336	0.3
105.86410	0.4
107.08592	0.5
111.11721	0.4
112.12130	0.4
113.76222	0.5
115.03942	1.1
127.03963	0.5
128.92049	0.4
133.04965	0.6
133.10190	0.5
150.60760	0.4
160.34779	0.4
170.15457	0.6
198.14871	0.4
203.05257	3.6
247.75720	0.4
261.18274	1.0
279.19284	0.9
300.19617	1.0
397.18665	0.6
397.24280	1.0
424.31601	0.5
441.24585	100.0
442.24973	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	441.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84591	1.8
69.52417	7.0
75.67869	1.8
98.23477	3.6
98.46190	2.0
111.83288	1.8
124.22580	1.9
125.06005	5.0
126.06303	2.9
141.47041	2.5
153.05476	35.2
154.05809	16.3
175.14053	1.8
184.31766	1.9
184.44971	1.9
191.27248	1.9
322.24597	12.5
338.13986	2.0
382.26514	2.4
399.25049	100.0
400.25433	7.6
430.62262	2.1
441.26074	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	441.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07318	1.2
55.65318	1.2
66.08990	1.1
79.23387	1.2
242.39664	1.3
348.37570	1.5
399.25018	100.0
400.25400	7.2
441.26138	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	441.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99743	5.6
71.69866	5.4
81.07077	7.2
94.81062	5.9
109.64578	6.1
147.38380	6.5
153.05399	6.9
210.51663	6.2
292.48923	7.4
441.26013	100.0
442.26544	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	441.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
51.48108	0.2
53.03943	0.3
53.20614	0.2
55.01860	1.0
55.05507	1.3
57.07068	0.3
59.04993	1.7
62.36150	0.3
65.03946	1.3
67.05501	2.9
68.99428	0.3
68.99787	5.6
69.03419	0.3
69.07060	0.9
69.29669	0.6
69.30054	0.6
77.03922	0.4
79.05483	2.6
81.07058	7.3
82.04196	0.5
83.01311	0.3
83.04945	0.3
83.08601	0.8
90.71163	0.2
91.05474	2.5
92.49576	0.2
93.03369	0.3
93.07045	2.3
95.04972	2.2
95.08597	2.2
97.06533	1.8
103.05454	2.1
105.03395	0.3
105.04507	0.5
105.07024	1.0
107.04948	3.7
107.08587	0.5
109.06535	1.5
109.10146	0.8
110.03654	0.9
111.04442	1.5
115.05450	0.7
117.07013	0.8
119.04948	0.3
119.08562	0.6
121.06506	8.8
121.10158	0.3
122.06859	0.3
123.04427	15.1
125.05988	35.2
126.03103	0.5
126.06316	0.7
129.07050	0.4
131.04924	1.0
131.08633	0.4
133.06496	1.3
133.10060	0.2
135.04375	0.2
135.08063	2.7
137.05972	16.1
138.06303	0.4
139.03902	2.0
141.05441	0.4
141.07141	0.2
145.06523	0.6
147.04428	2.0
147.08018	0.5
148.05240	0.4
149.05974	100.0
150.06337	2.6
151.07579	0.7
153.05466	38.3
154.05788	0.6
157.06494	0.3
160.05150	0.3
161.05984	4.7
162.06676	0.3
163.07541	30.9
164.07901	0.8
165.05392	0.4
167.06999	0.4
173.06044	0.4
175.07552	2.2
177.09109	5.9
179.07013	3.0
187.07664	0.3
189.09094	1.0
191.10745	0.3
193.08606	2.1
203.10719	0.6
229.05005	0.3
239.06973	0.3
243.06552	1.0
257.08163	0.9
259.06033	0.5
261.07623	0.3
269.08133	0.4
286.58984	0.3
289.21857	0.3
301.21576	1.0
317.20935	0.5
391.22772	0.3
409.23734	1.6
410.76724	0.2
423.25351	3.7
423.30923	0.4
424.25668	0.4
441.26361	35.3
442.26776	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	441.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77795	0.9
68.49680	0.9
69.44276	4.1
72.04502	1.8
100.31781	0.9
111.11626	0.9
210.76015	1.0
266.61737	1.0
335.21658	1.1
389.00903	1.0
421.16357	1.4
441.24213	5.2
441.29724	100.0
442.30029	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	441.3365
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05519	34.4
57.07065	13.1
60.93365	7.0
67.05496	26.0
67.66215	7.1
69.07073	64.1
71.08622	7.8
79.05493	30.8
81.07076	53.8
82.06891	7.4
83.08598	8.1
91.05496	30.2
93.07048	79.4
95.08592	40.1
97.10171	8.3
98.22718	16.1
105.07035	31.0
107.08591	50.9
109.06531	8.3
109.10165	20.4
111.04430	27.1
119.08609	20.0
121.06512	13.4
121.10155	16.3
125.09606	8.1
131.08542	13.7
133.10118	9.9
135.11687	20.7
137.05965	8.0
139.03906	61.6
143.08611	10.8
145.10172	15.6
153.05441	13.5
157.10164	8.6
161.06067	8.1
165.05499	14.3
165.09113	11.3
179.06964	12.3
189.08974	9.3
260.21301	7.1
314.28036	8.8
366.57889	7.9
373.27432	18.8
395.33075	10.6
411.71909	9.1
423.32303	34.2
441.33664	100.0
442.34482	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	441.3367
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03938	1.0
55.05511	14.8
57.07070	3.8
66.09466	0.8
67.05499	2.9
69.03447	0.9
69.07072	12.8
69.71989	2.8
71.08630	2.5
72.85883	0.8
79.05490	2.3
81.07063	4.8
83.04995	1.3
83.08624	25.8
87.04468	1.3
91.05479	2.1
93.07047	7.5
95.04983	1.2
95.08604	5.4
97.06535	1.1
97.10176	3.7
98.23528	0.8
105.07028	3.3
107.08606	4.0
109.06500	1.6
109.10164	4.3
117.07059	1.0
119.08574	1.9
121.06549	3.7
121.10134	1.3
123.08055	1.8
123.11741	0.9
125.09585	0.8
128.06252	1.2
129.06978	1.7
131.08545	1.4
133.10155	2.7
135.08046	1.4
135.11746	1.1
137.06006	1.1
137.82181	0.8
143.08635	0.9
145.10178	2.4
147.08060	3.2
147.11716	1.6
149.09637	1.2
149.13303	0.9
155.08588	0.9
157.10168	1.6
159.08110	2.6
159.11720	1.4
161.09644	2.5
175.07529	11.0
175.08907	0.9
175.14890	2.3
183.11723	0.8
185.13310	1.0
187.11043	0.7
195.58832	0.7
229.15872	0.9
235.17001	2.4
252.08723	0.9
264.12082	0.7
275.16364	6.6
283.20157	0.7
285.18427	4.3
287.20325	0.9
290.01974	0.8
301.17999	13.9
301.21271	1.2
303.19565	1.3
315.23172	8.4
423.32562	1.4
441.33661	100.0
442.34015	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	441.3728
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
51.50197	1.9
55.05508	14.4
57.03422	6.1
57.07064	7.3
58.04781	2.1
61.02900	2.2
67.05506	28.8
67.34131	2.0
68.61809	2.1
69.03416	9.8
69.07066	31.8
70.70663	2.9
71.04986	10.1
73.02921	6.5
75.04468	2.9
76.12481	2.2
76.60946	2.1
78.55288	1.8
79.05481	21.3
81.07058	62.0
83.04973	5.9
83.08613	14.0
85.02901	42.8
85.03411	3.4
85.06523	3.1
86.03246	2.3
87.04489	2.6
91.05479	19.3
93.07040	64.0
95.04977	5.3
95.08601	100.0
97.02882	9.1
97.06509	5.0
97.10174	8.4
105.04475	2.4
105.07024	45.0
107.08593	68.0
109.06509	9.2
109.10151	70.3
110.26813	1.9
111.04477	2.6
111.08071	5.1
111.11721	5.4
115.03931	8.3
117.07003	5.1
119.08575	40.5
121.10144	65.1
121.10996	4.6
122.10471	2.5
123.08079	3.9
123.11705	33.4
124.58839	2.4
125.09634	3.8
127.03911	3.4
127.91151	2.0
129.05472	10.8
131.08534	16.8
133.04985	7.0
133.10114	30.9
135.11693	49.9
135.12660	4.2
137.13231	15.1
139.01642	2.3
143.08574	4.5
145.04959	5.8
145.10129	24.7
147.06500	7.2
147.11691	23.3
149.13252	62.6
151.11145	3.6
151.14839	3.3
157.10109	5.2
159.11691	26.2
161.13263	23.5
163.05991	2.4
163.14796	20.8
165.12721	3.5
171.11656	4.7
173.13278	16.5
175.14813	30.3
177.12793	3.3
177.16391	29.8
179.14322	7.4
185.13281	6.4
187.14809	23.7
189.16354	28.2
191.14314	4.8
191.17924	22.7
193.15819	14.1
201.16377	19.9
203.17950	30.4
205.15887	14.4
205.19507	21.5
207.17471	7.2
213.16377	4.6
215.17960	31.9
217.15962	2.2
217.19516	11.8
219.17456	6.2
221.18997	4.2
223.16882	4.6
225.07562	3.2
227.17947	4.5
229.19559	15.6
231.17429	7.4
231.21092	9.6
233.18988	47.3
239.17813	2.3
243.21057	4.1
245.19055	2.7
245.22661	4.5
247.20547	12.0
249.18501	44.5
257.22604	3.4
269.22708	2.8
273.22110	3.9
281.22742	3.7
288.57837	2.3
299.23523	2.5
317.24973	2.5
371.49304	2.2
393.35092	2.4
397.34711	2.8
405.35181	7.9
411.36349	5.0
423.36163	29.2
441.37259	99.7
442.37613	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	441.3728
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05504	16.9
57.03433	9.6
57.07067	7.2
67.05498	20.6
69.03432	9.3
69.07064	27.5
69.62027	11.4
71.04992	25.0
73.02914	8.5
75.04471	5.9
79.05495	14.8
81.03417	3.0
81.07060	53.6
83.04951	5.1
83.08638	8.4
85.02906	60.0
85.06538	4.3
91.05453	16.2
91.83188	2.8
93.07040	37.9
95.04946	5.0
95.08611	86.7
96.08921	2.8
97.02889	16.7
97.06506	2.9
97.10165	9.7
98.23563	3.6
105.07022	51.3
107.08591	67.5
109.06532	4.5
109.10155	55.5
111.08067	9.9
111.11715	5.1
111.90997	2.8
113.17717	3.2
115.03923	12.5
117.07027	9.7
119.08575	60.5
121.09276	4.7
121.10144	56.1
123.08035	3.1
123.11700	26.3
127.03896	5.7
129.05499	14.6
130.08043	3.2
131.08548	27.3
133.04956	9.0
133.10127	50.6
135.11684	40.2
137.13251	10.5
143.08525	4.9
145.04985	5.1
145.10130	37.1
147.06496	6.8
147.11670	31.7
149.13281	22.1
151.11212	4.6
157.10115	7.0
159.11676	34.9
161.13280	30.2
163.14801	24.9
165.12654	2.7
171.11682	9.7
173.13248	29.1
175.14813	32.5
177.16359	19.7
179.14311	10.5
183.51468	3.1
185.13258	7.1
187.14807	27.7
189.16374	38.1
191.14507	3.6
191.17924	24.1
193.15910	18.4
199.14833	6.2
201.16399	26.4
203.17943	48.3
205.15866	16.8
205.19504	10.8
207.17447	16.0
213.16374	6.4
215.17947	56.0
217.15952	4.1
217.19453	14.5
219.17548	10.1
219.21147	2.8
221.19038	11.5
222.34560	3.5
225.07556	7.1
227.18005	5.7
229.19380	15.9
233.18994	68.0
234.19411	5.8
241.19414	4.5
243.21124	10.6
244.21283	2.8
247.20667	12.0
255.21075	7.9
257.23038	3.8
261.22089	3.4
269.22736	7.9
271.24197	5.8
273.22208	10.7
287.23416	3.5
297.25690	3.4
298.82404	3.0
300.23642	3.8
393.92770	3.3
405.35245	15.1
409.46225	3.6
411.36139	3.9
423.36148	49.7
424.36447	5.3
441.28546	20.1
441.37265	100.0
442.29626	3.4
442.37695	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	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05517	12.3
57.07074	6.1
57.12251	2.7
67.05500	27.7
69.07070	33.6
69.45388	11.2
69.55006	2.5
75.89717	2.7
79.05489	13.3
81.07054	51.5
83.08624	14.1
87.04474	3.5
91.05476	10.4
93.07050	31.6
95.04952	3.7
95.08606	100.0
97.10176	7.7
100.32396	2.3
105.07030	20.2
107.08588	58.3
109.10153	79.1
111.08070	3.7
111.11714	9.2
117.07008	3.0
119.08588	45.5
121.06499	2.9
121.10140	48.0
123.08112	3.1
123.11705	30.2
129.07091	2.7
131.08566	9.2
133.10130	27.1
134.10432	3.1
135.08023	2.9
135.11684	22.9
136.75993	2.4
137.09630	3.0
137.13289	16.8
143.08583	2.7
145.10097	17.7
147.11717	20.7
149.09596	4.3
149.13219	20.3
151.14796	2.9
157.10121	9.9
159.11678	21.2
161.09590	4.1
161.13271	16.0
163.14833	12.5
170.10995	2.9
171.11694	11.0
173.13254	19.4
175.14885	16.2
177.12767	3.2
177.16338	13.6
179.17975	3.0
185.13275	4.2
187.14822	14.6
189.12700	6.8
189.16380	14.9
191.17932	22.1
193.12189	3.6
194.29021	3.1
197.13173	3.5
199.14844	6.1
201.16396	10.9
203.17924	11.0
205.15924	6.0
205.19469	23.9
213.16376	9.2
215.17934	9.8
217.15842	9.6
217.19547	8.2
219.17474	5.0
219.21130	3.7
227.17992	6.0
229.19444	6.0
231.17471	8.8
231.20938	11.8
235.16986	14.7
237.18423	2.6
241.19551	3.8
243.21066	4.5
245.22638	10.9
249.18503	5.4
253.19489	3.1
254.39420	2.5
257.22693	4.3
259.20609	3.8
267.21252	3.7
269.22662	7.0
323.27255	4.0
405.35181	64.9
406.35800	4.4
423.36203	48.9
424.36591	5.3
441.37439	65.8
442.37814	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	442.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01870	1.8
55.05513	2.8
57.03431	4.8
58.52547	0.5
59.04987	0.6
61.02922	9.1
67.44357	0.4
67.67319	0.5
69.03433	14.3
69.61909	0.9
69.62291	0.9
70.06589	2.3
71.04990	4.7
72.08148	0.8
73.02918	4.2
79.05472	0.6
81.03416	7.4
81.07091	0.6
83.08620	5.4
83.60348	0.5
85.02903	100.0
86.03230	1.0
87.04457	2.5
91.03950	4.5
91.05475	0.7
93.07015	0.9
95.04977	0.8
95.08611	1.5
97.02888	24.0
99.04453	3.5
99.08099	0.9
101.02349	0.5
101.09615	0.9
103.03950	1.1
107.08600	0.8
109.02871	7.7
111.04455	0.7
111.08095	1.5
113.09676	1.2
114.05539	0.8
115.03956	1.4
117.06999	0.5
121.06475	0.5
123.08125	0.8
127.03912	26.2
128.04274	0.7
129.09094	1.5
133.06458	0.6
135.08084	0.8
137.02374	1.4
139.03903	10.3
139.07576	3.0
141.09100	1.5
145.04953	51.1
146.05237	0.8
151.03957	0.6
151.07555	1.3
154.04979	1.2
163.03989	0.9
163.06017	21.2
167.10635	0.8
169.08641	1.1
181.07068	0.7
181.12262	0.5
191.10631	0.8
197.11700	0.7
199.13405	0.7
205.04869	0.7
209.11639	2.3
227.12833	2.2
239.22078	0.5
245.13904	3.0
263.14902	3.9
289.06772	2.3
325.11380	1.5
410.02792	0.5
442.17346	1.5
442.25290	0.7
443.18668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
59.08286	0.4
65.77568	0.3
67.05489	0.5
69.52726	1.4
71.08651	0.3
73.52995	0.4
74.24760	0.3
81.07066	1.1
91.05486	0.9
95.08640	0.3
100.11273	0.6
108.19003	0.3
109.10181	0.4
135.11731	0.6
147.60930	0.3
170.15413	0.7
176.05437	0.4
182.15401	0.6
183.15810	0.7
199.15273	0.5
203.05312	1.7
204.05553	0.5
262.18588	0.6
301.19666	0.4
312.60178	0.4
357.18762	0.6
372.19476	0.5
392.18524	0.8
398.18732	1.5
398.24054	0.6
399.19894	1.8
399.86536	0.4
442.18091	3.5
442.24915	100.0
443.18869	8.7
443.25201	4.5
467.86121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.1
57.07074	21.1
67.05497	7.6
69.03422	2.3
69.07068	3.2
69.68477	8.1
71.08624	3.9
78.52112	2.6
79.05507	5.3
81.07058	12.9
81.30116	2.1
82.33370	1.9
83.04951	3.5
85.06525	13.5
91.05500	3.1
93.07047	6.7
95.04967	2.8
95.08594	8.8
97.06505	3.0
99.08083	3.2
105.49360	1.9
109.06525	4.5
109.10161	3.6
119.08566	3.7
121.06438	1.9
123.11710	2.5
124.05212	4.2
125.05996	4.7
133.10164	2.6
135.08017	2.4
137.05952	23.5
139.07529	49.8
147.08038	3.9
151.07541	8.5
153.05446	27.7
155.07027	4.7
161.05954	6.2
163.07504	3.5
167.07025	100.0
168.07333	3.7
174.06761	2.1
175.07526	4.9
175.14890	2.4
177.05461	4.5
177.09109	2.8
179.07047	4.4
183.06505	7.9
187.07458	2.1
193.08620	9.1
193.15837	4.4
199.11263	2.6
203.10788	2.7
207.10144	11.1
217.12209	3.0
231.13797	5.3
249.14871	2.5
297.18463	3.4
315.19431	7.5
329.21155	5.1
333.20584	32.7
343.06647	2.3
347.17993	2.3
347.22156	32.4
365.18677	3.0
365.23172	53.9
366.23532	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0952
Annotation	Biisofraxidin
Peak:m/z	Relative Intensity
51.78045	3.2
53.91720	3.3
62.56044	3.1
69.89687	10.2
94.83092	3.1
98.23400	6.4
98.97592	8.8
122.07160	11.0
123.07938	10.5
139.03896	15.0
147.09177	10.5
230.55608	3.5
237.93799	3.7
281.15027	11.1
282.98840	5.2
322.98361	21.8
345.08536	4.6
401.01547	9.6
401.08008	4.3
442.21356	5.8
443.09610	100.0
443.15497	11.3
443.20587	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	443.0973
Annotation	Epicatechin-3-gallate
Peak:m/z	Relative Intensity
53.00302	1.2
55.01878	0.6
61.70133	0.5
65.03922	1.0
68.99786	0.5
69.78966	1.4
70.06580	0.8
81.03406	1.6
81.23463	0.5
85.02912	0.7
86.09695	2.4
95.04957	0.6
98.46635	0.5
105.07124	0.4
109.02885	0.7
111.00822	0.6
111.04401	1.3
111.31400	0.4
121.02856	1.4
123.04448	3.5
127.03917	1.5
128.10657	0.6
135.04408	1.0
137.02345	34.8
137.03429	2.6
138.02669	1.0
139.03894	100.0
140.04236	1.7
149.05940	0.6
151.02681	0.6
151.03905	9.9
163.03896	4.2
177.05568	0.6
181.04930	1.3
184.74779	0.5
193.11923	1.0
195.06532	0.8
195.09920	2.1
205.04959	3.0
247.06001	0.9
270.36401	0.4
281.13617	6.1
289.07025	4.7
289.51465	0.5
307.08109	1.4
442.25009	0.5
443.14795	2.7
443.19427	1.8
443.29788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1525
Annotation	Yadanziolide B
Peak:m/z	Relative Intensity
66.93194	0.3
69.03431	0.4
70.06584	0.6
72.24525	0.4
72.53027	0.3
73.99308	0.5
82.03957	0.5
83.01102	0.7
84.01881	0.8
85.02908	0.9
85.90195	0.3
86.46250	0.4
95.01058	1.8
96.01849	0.9
97.02860	0.4
108.95895	0.4
112.01357	1.1
113.02104	3.0
126.02898	0.5
139.03879	1.1
139.93129	0.4
141.05255	0.4
145.04890	0.4
147.09158	0.8
149.26085	0.4
167.03154	0.8
180.09039	0.4
185.04218	4.2
191.03156	0.7
201.03746	1.1
203.05270	1.2
206.05490	12.1
207.06248	1.0
219.01764	0.6
243.08472	0.5
249.07372	1.2
259.07874	2.2
260.55704	0.4
281.09988	0.7
281.14941	1.3
322.98425	0.8
412.13068	0.7
413.13928	1.1
443.15207	100.0
444.15527	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	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	3.9
55.04250	2.7
57.03431	0.6
61.02901	0.8
69.03439	2.6
70.06616	0.5
71.43339	0.4
80.05034	0.9
81.03451	1.1
81.04542	21.5
82.05329	9.5
85.02905	4.4
87.04433	0.5
97.02882	1.3
98.97573	1.0
108.05666	1.2
110.07160	0.6
110.97586	0.6
116.98650	0.7
122.07156	100.0
123.07940	92.7
124.08273	1.3
128.98654	0.5
136.06194	9.6
139.03899	8.7
144.04807	1.8
147.06577	0.6
151.08414	1.2
160.04292	2.2
163.03949	0.5
163.36000	0.5
165.07739	4.2
167.03358	0.6
171.92082	0.5
172.04282	1.3
175.03867	0.7
179.03444	1.1
191.03429	1.6
201.00755	0.7
203.03419	1.0
213.05510	0.5
229.05046	0.7
233.04446	0.7
235.10515	1.6
245.04642	0.8
257.04514	1.7
263.05817	0.5
275.05591	2.1
281.10675	55.4
282.11078	3.3
282.99002	0.6
287.05371	2.7
299.05508	1.8
317.06558	1.4
322.98520	2.5
323.11810	1.2
334.98370	0.5
401.01724	1.0
425.08661	1.8
443.15994	87.0
444.16241	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63515	0.2
70.68167	0.6
85.02908	0.6
95.08611	0.3
119.08558	0.3
120.88056	0.3
150.58379	0.3
156.02390	0.3
185.04167	0.6
195.13531	2.1
198.74014	0.3
216.63531	0.3
223.13034	1.0
227.05252	0.4
271.04239	0.4
300.69815	0.3
309.63440	0.3
339.17892	0.8
357.18793	8.4
358.19281	0.5
378.39914	0.4
381.18698	0.7
399.19861	30.0
400.20340	1.9
443.18866	100.0
444.19186	6.2
444.25330	0.3
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
55.05515	1.5
56.04781	0.6
57.03417	0.5
61.02922	0.7
67.05500	1.7
69.03420	1.5
69.07068	1.8
69.56155	2.1
69.56524	1.2
71.71642	0.5
79.05491	1.9
81.03414	1.5
81.07049	2.7
81.07532	0.5
83.08617	0.6
85.02921	3.3
87.00829	1.8
91.05483	1.8
93.07038	3.4
95.04968	0.8
95.08602	5.6
97.02901	1.7
98.22749	1.1
99.04428	0.6
105.01850	0.9
105.07025	2.8
107.08642	2.8
109.10153	2.1
111.11678	1.1
113.09731	0.6
117.07098	0.6
119.08579	2.3
121.10129	2.9
123.11663	1.4
126.20540	0.7
127.03929	1.6
129.07004	0.9
133.10143	1.2
135.11642	1.5
143.08534	0.7
145.04918	0.9
145.10149	1.6
147.11705	1.5
157.10048	0.8
159.02928	0.8
159.11688	1.4
161.13249	1.2
163.14825	2.3
173.13249	1.2
175.14839	2.4
177.12575	0.6
177.16370	3.5
186.57021	0.6
187.15033	0.9
195.13577	2.3
199.14824	1.0
201.16394	1.5
207.13913	0.7
223.13010	0.8
231.17485	0.6
245.41905	0.6
267.17343	1.2
281.17477	1.3
285.18640	1.2
357.18890	7.4
377.15131	0.7
399.19910	28.4
400.20346	1.8
407.20630	0.9
425.21732	0.9
443.18881	100.0
444.19244	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
59.04992	0.9
69.03423	0.8
70.47241	0.9
81.03390	0.5
81.07049	0.7
85.02882	0.6
91.05475	0.5
93.07011	0.7
95.08573	0.7
105.07019	0.5
107.08559	0.9
109.10021	0.4
119.08569	0.6
135.08109	0.7
139.03859	0.8
143.10625	0.5
165.97539	0.4
177.12703	0.6
185.04150	0.9
195.13614	2.9
203.05208	2.0
227.05177	0.8
245.06303	3.9
247.13474	0.5
265.14279	1.9
271.04178	0.6
282.18460	3.0
287.03754	1.0
289.05322	10.1
357.18936	4.1
381.18378	0.5
385.14325	0.7
399.19891	16.5
399.25134	0.9
400.20016	0.9
425.17654	1.0
443.18637	100.0
444.18454	6.4
444.24738	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
59.04992	0.9
69.03423	0.8
70.47241	0.9
81.03390	0.5
81.07049	0.7
85.02882	0.6
91.05475	0.5
93.07011	0.7
95.08573	0.7
105.07019	0.5
107.08559	0.9
109.10021	0.4
119.08569	0.6
135.08109	0.7
139.03859	0.8
143.10625	0.5
165.97539	0.4
177.12703	0.6
185.04150	0.9
195.13614	2.9
203.05208	2.0
227.05177	0.8
245.06303	3.9
247.13474	0.5
265.14279	1.9
271.04178	0.6
282.18460	3.0
287.03754	1.0
289.05322	10.1
357.18936	4.1
381.18378	0.5
385.14325	0.7
399.19891	16.5
399.25134	0.9
400.20016	0.9
425.17654	1.0
443.18637	100.0
444.18454	6.4
444.24738	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18661	1.3
55.01873	1.9
55.05512	2.5
57.03406	2.1
67.05485	2.5
69.03423	3.7
69.33466	6.5
70.06588	4.0
71.04990	1.6
72.08196	1.6
79.05492	3.8
81.03418	2.2
81.07067	2.2
83.04983	1.7
85.02902	8.6
87.04457	6.0
91.05464	3.6
93.03387	1.7
93.07022	2.6
95.04976	3.3
95.08583	1.7
97.02881	2.2
105.07030	4.5
107.08590	3.0
109.06505	3.3
111.04421	3.1
114.05520	2.4
117.06965	2.5
119.04959	2.9
119.08604	4.7
121.06525	4.2
123.08052	3.9
129.06961	1.8
130.15201	1.4
131.08548	3.6
133.06468	2.5
133.10121	2.2
135.08043	36.1
137.02315	11.8
139.02855	3.1
139.03891	41.0
139.07533	1.8
143.08592	2.4
145.05026	1.5
145.06467	2.0
145.10123	1.9
147.08076	8.0
149.06020	2.6
151.03886	3.4
151.07516	7.1
156.09283	2.5
157.10068	2.4
159.08075	3.9
159.11688	7.9
161.05948	2.4
161.09608	4.3
163.03801	1.6
163.07526	3.5
171.11673	2.4
172.08836	4.8
173.09615	39.3
174.10341	2.6
175.11133	1.8
183.07756	1.6
185.09615	1.7
187.07745	2.8
187.11169	16.2
189.12735	4.7
199.11168	4.5
201.08742	1.8
203.10684	3.1
204.95247	1.5
215.10652	14.4
217.12199	4.3
233.11711	100.0
234.12172	3.0
235.13437	2.0
245.11702	8.3
263.12793	31.2
266.98166	1.4
281.13821	5.1
293.48355	1.6
425.11133	1.6
443.13928	3.9
443.19528	12.8
460.33194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01867	4.7
55.05504	0.8
57.03431	2.4
61.02928	3.1
65.03928	0.5
68.99790	2.9
69.03068	0.7
69.03426	12.0
69.34274	1.3
71.05012	1.8
71.08629	5.8
73.02915	4.4
74.06078	0.4
76.45549	0.3
81.03416	14.6
81.03899	0.8
81.07040	0.6
83.01327	0.4
85.02899	34.4
86.03216	0.5
87.00822	15.9
87.04441	0.6
91.03935	1.5
91.05476	1.5
93.03363	0.5
97.02890	13.4
99.04447	6.5
103.03935	1.8
104.99260	0.4
105.01857	8.3
105.07013	0.7
107.04935	1.2
109.02876	14.1
110.03669	5.4
111.04459	0.8
115.03954	0.5
117.01860	2.5
121.06496	2.4
123.04388	0.4
124.84432	0.4
125.05983	43.4
126.06287	0.8
127.03909	25.4
129.01830	3.0
131.04962	0.4
134.03632	1.5
135.04338	0.5
135.08043	0.8
137.05888	0.8
141.01761	0.5
145.04962	10.9
145.06306	0.6
147.02867	2.7
147.08044	0.5
148.05215	0.7
149.04834	0.6
149.05969	7.6
151.07507	0.4
159.02875	11.0
159.08011	1.0
161.05927	0.5
163.07513	2.1
167.07013	1.3
171.02829	0.6
174.06709	0.7
175.07506	1.1
177.03954	0.5
177.09058	0.8
177.12785	0.4
187.07579	0.5
189.03922	1.8
191.07036	0.5
191.14346	0.8
195.13791	100.0
196.14183	3.2
204.34663	0.4
207.13814	1.5
213.03857	0.6
215.06972	0.6
219.13788	20.9
220.14120	1.0
231.05011	3.7
231.13837	3.2
233.08087	0.4
233.15295	1.6
237.14827	16.1
238.15199	0.5
245.15401	0.9
257.15308	2.7
261.14862	10.9
285.14865	5.6
303.15866	11.6
304.16211	0.5
350.63968	0.4
361.16061	0.6
443.28522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
54.03595	1.2
55.05502	1.3
65.03901	1.1
67.05492	2.3
69.03423	5.1
69.57477	4.4
74.80647	1.2
79.01862	1.8
79.05487	1.5
81.07055	1.4
83.04971	1.9
85.02895	4.1
91.05469	5.0
93.07026	1.9
95.04948	2.0
97.02879	1.6
97.06533	2.5
105.07015	3.3
107.05025	1.4
107.08580	3.5
109.06531	1.7
111.04450	6.7
113.02395	1.5
117.07032	2.4
119.04866	1.6
119.08557	5.7
121.06490	2.8
123.04428	100.0
123.08045	2.7
124.04756	2.8
129.07019	1.7
131.08588	4.4
133.06429	1.6
135.08047	88.2
139.03893	40.7
141.06863	1.3
142.07762	1.2
143.03438	2.1
143.08572	2.2
144.09328	1.3
145.06456	2.2
145.10083	1.5
147.04410	5.7
147.08046	3.1
151.03900	9.0
151.07536	2.8
153.01810	20.8
153.02905	1.7
156.09296	4.1
157.10132	2.8
158.07239	2.7
159.08014	6.2
159.11671	10.0
161.05965	3.6
161.09616	2.8
163.07581	2.0
165.05479	4.1
166.07785	1.6
169.09950	1.8
171.11661	2.5
172.08820	9.1
173.09631	12.9
175.07605	1.3
175.11180	2.8
181.10129	1.6
184.08781	1.7
185.09642	1.7
187.11165	37.3
188.08311	1.4
189.05460	1.7
189.12747	1.8
197.09496	1.4
199.11151	7.6
203.10689	10.5
215.10657	25.1
217.12256	4.9
227.10681	7.1
233.11707	38.2
234.12099	1.7
245.11726	25.7
247.71010	1.1
263.12796	31.9
273.07571	3.8
291.08627	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	443.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
59.05003	2.3
62.05529	1.0
69.47138	3.7
72.96410	1.0
73.10778	1.0
81.07024	1.3
81.15319	1.0
83.29050	0.9
91.05455	1.6
94.10310	1.0
95.08622	1.1
139.03879	1.7
151.07623	2.5
181.83546	1.1
185.04050	1.1
195.13649	2.4
198.38272	1.2
203.05321	1.7
227.05170	2.2
245.06418	4.8
247.13809	1.1
265.14606	1.0
281.17206	1.8
285.80093	1.1
289.05304	11.2
357.18921	6.0
399.19830	21.9
443.18704	100.0
443.23105	52.7
444.19138	4.3
444.24063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
54.03595	1.2
55.05502	1.3
65.03901	1.1
67.05492	2.3
69.03423	5.1
69.57477	4.4
74.80647	1.2
79.01862	1.8
79.05487	1.5
81.07055	1.4
83.04971	1.9
85.02895	4.1
91.05469	5.0
93.07026	1.9
95.04948	2.0
97.02879	1.6
97.06533	2.5
105.07015	3.3
107.05025	1.4
107.08580	3.5
109.06531	1.7
111.04450	6.7
113.02395	1.5
117.07032	2.4
119.04866	1.6
119.08557	5.7
121.06490	2.8
123.04428	100.0
123.08045	2.7
124.04756	2.8
129.07019	1.7
131.08588	4.4
133.06429	1.6
135.08047	88.2
139.03893	40.7
141.06863	1.3
142.07762	1.2
143.03438	2.1
143.08572	2.2
144.09328	1.3
145.06456	2.2
145.10083	1.5
147.04410	5.7
147.08046	3.1
151.03900	9.0
151.07536	2.8
153.01810	20.8
153.02905	1.7
156.09296	4.1
157.10132	2.8
158.07239	2.7
159.08014	6.2
159.11671	10.0
161.05965	3.6
161.09616	2.8
163.07581	2.0
165.05479	4.1
166.07785	1.6
169.09950	1.8
171.11661	2.5
172.08820	9.1
173.09631	12.9
175.07605	1.3
175.11180	2.8
181.10129	1.6
184.08781	1.7
185.09642	1.7
187.11165	37.3
188.08311	1.4
189.05460	1.7
189.12747	1.8
197.09496	1.4
199.11151	7.6
203.10689	10.5
215.10657	25.1
217.12256	4.9
227.10681	7.1
233.11707	38.2
234.12099	1.7
245.11726	25.7
247.71010	1.1
263.12796	31.9
273.07571	3.8
291.08627	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	443.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95881	7.5
69.48512	8.8
69.51174	7.2
71.11110	10.8
80.28199	9.1
80.78918	9.3
103.36333	7.9
108.05038	7.5
124.04480	9.0
151.07538	17.7
176.71045	8.1
187.53065	7.4
354.43640	8.0
360.22327	10.8
383.29529	8.0
401.20560	17.3
443.21857	32.3
443.33472	100.0
458.17773	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	443.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24040	1.0
61.88963	1.1
61.89714	1.1
65.53203	1.1
68.87389	1.5
70.51775	0.9
70.62888	2.1
74.99966	1.2
92.56332	1.1
131.37289	1.1
138.47040	1.0
142.93898	4.2
146.15776	1.1
152.48395	1.1
325.43582	1.2
350.07864	1.6
443.20743	32.2
443.33426	100.0
444.21426	3.3
444.33752	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17200	4.1
72.03431	5.0
87.04478	11.0
123.04429	5.0
152.20961	6.3
213.57527	4.9
400.55725	5.4
443.22119	61.3
443.28452	4.8
443.33453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12569	65.9
74.27013	10.5
77.27913	9.8
87.04491	17.1
161.84024	9.9
202.33730	10.5
240.44019	9.9
298.80463	9.6
307.50925	14.0
308.99109	11.4
443.33505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.262
Annotation	Dendronpholide M
Peak:m/z	Relative Intensity
56.50689	0.5
67.05502	0.5
69.49313	1.2
69.49709	0.9
78.19479	0.4
85.02897	0.7
98.23526	0.8
122.82281	0.4
141.57735	0.5
151.07568	0.6
163.77399	0.6
196.23395	0.5
221.11720	0.6
230.03845	0.5
232.06947	0.5
235.07629	0.5
295.09634	0.5
337.10822	1.3
354.10837	0.7
368.12601	1.4
369.13028	0.6
425.25061	0.8
443.26123	100.0
444.26468	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	443.2795
Annotation	Amentol
Peak:m/z	Relative Intensity
53.03942	1.1
54.56656	0.5
55.05514	3.5
57.07083	2.7
62.73211	0.5
65.03931	1.9
67.05507	6.1
68.99778	1.5
69.03411	0.9
69.07076	3.1
69.24266	3.5
79.05481	1.9
81.07064	3.6
82.04192	1.8
83.04955	1.1
83.08606	1.3
83.89565	0.7
89.06017	2.0
91.05466	2.2
93.03413	0.7
93.07039	2.1
95.04967	4.0
95.08617	2.9
97.06544	3.8
97.10173	0.8
104.99252	0.8
105.04550	0.7
105.07031	1.9
107.04961	2.5
107.08572	1.3
109.06532	1.2
109.10168	2.7
110.03667	1.8
111.04449	5.6
111.11668	0.7
117.06979	1.5
119.08571	2.0
121.06503	6.0
121.10102	0.9
123.04432	35.2
123.11652	0.8
124.04733	0.9
125.05994	66.3
126.06284	0.9
127.07519	0.6
133.06429	0.6
133.08594	1.5
135.08037	1.2
135.11685	0.7
137.04935	1.2
137.05984	22.3
137.09586	4.4
139.03891	10.1
141.05536	1.2
143.48886	0.6
147.04420	0.7
147.08051	0.8
147.11690	0.9
148.79852	0.5
149.05974	10.4
149.09616	1.4
151.07584	1.0
153.05469	100.0
154.05849	3.1
163.07553	16.3
165.09119	46.6
166.09439	0.7
167.07040	1.9
175.14687	0.6
177.09111	8.7
179.10712	0.6
191.10786	1.0
203.14468	0.5
205.12175	0.8
243.06570	4.3
245.08009	1.2
257.08124	1.2
259.09726	0.8
261.07593	1.8
271.09796	1.1
303.23288	2.2
305.24905	0.6
315.18002	3.5
407.25821	0.6
411.25220	6.0
420.36621	0.6
425.26846	15.2
425.33093	0.9
426.27640	0.9
443.28006	26.6
443.35052	2.3
444.28223	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01178	0.5
55.05478	0.6
69.07047	0.5
71.45453	0.5
89.54656	0.4
91.55301	0.5
125.05998	2.0
137.05965	1.5
142.93889	1.9
151.07590	1.3
153.05492	1.4
154.29596	0.6
163.07539	0.5
175.71803	0.6
317.77042	0.6
443.20868	6.7
443.33453	100.0
444.33853	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	443.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.4
57.07057	1.7
59.33971	0.3
59.72514	0.3
63.00030	0.7
67.05501	5.1
69.07060	5.0
69.27563	2.3
71.04983	2.5
71.08620	0.8
79.05470	1.9
81.07054	11.3
82.60071	0.4
83.04939	0.5
83.08617	2.6
85.10206	0.4
89.05998	0.5
91.05463	1.7
93.07050	2.2
95.08607	8.2
97.10148	1.6
99.08070	1.2
102.02402	0.5
105.07015	1.2
107.02663	0.4
107.08599	2.2
109.10152	8.7
111.11720	0.6
119.08587	2.8
121.10141	2.9
122.07279	1.4
123.08004	0.7
123.11705	4.2
125.05927	0.5
127.11215	0.7
131.08575	0.8
133.10153	0.7
135.08075	2.1
135.11688	1.8
136.59999	0.4
137.09612	8.8
137.13252	1.7
139.07602	0.5
141.12781	0.8
145.10112	1.3
149.09612	13.0
149.13235	1.0
151.05154	0.5
151.07503	0.7
151.14793	0.5
159.11705	1.0
161.09520	0.5
161.13272	0.6
163.07486	0.5
163.11182	5.6
163.14822	0.4
165.09111	100.0
166.09480	2.8
173.09569	1.4
173.13292	0.4
175.07535	0.7
175.11172	1.6
175.14830	0.5
176.08339	1.3
177.09108	7.2
177.12642	0.7
177.16342	0.4
178.09636	0.4
178.96503	0.4
179.10622	1.0
187.11157	1.4
187.14899	0.6
189.09087	1.1
189.12691	0.7
190.09811	1.9
191.10677	6.0
201.12733	1.3
203.10715	0.6
205.12239	16.9
205.19556	0.7
206.12480	0.6
215.14342	0.6
219.13826	1.5
225.43739	0.4
233.15381	0.7
267.09619	0.4
267.26810	1.1
291.26846	0.8
415.31262	3.0
415.36505	0.9
425.34189	2.6
443.35120	15.1
444.35358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43993	0.8
55.05506	2.1
57.07079	1.7
67.05510	5.7
67.36507	0.8
69.07050	4.4
69.12659	4.0
69.13074	1.4
71.04996	1.7
74.19124	0.7
79.05490	1.3
81.07062	9.7
82.24314	0.7
83.08610	1.5
91.05470	1.8
93.07033	2.0
95.08615	9.3
97.10147	1.6
98.22699	1.5
99.08098	0.8
104.70023	0.9
105.07061	1.1
107.08585	2.7
109.10159	7.7
119.08575	3.0
120.57208	0.7
121.06500	0.7
121.10148	2.4
123.11723	2.9
131.08623	1.9
135.08047	2.0
135.11658	1.4
135.19707	0.9
136.08812	1.5
137.09625	9.2
137.13210	1.6
145.10080	0.8
149.09630	12.0
151.14902	1.2
156.09956	0.7
159.11728	1.1
163.11183	4.1
164.08368	2.3
165.09122	100.0
165.86377	0.7
166.09453	3.1
173.13152	1.0
175.11227	1.1
176.08276	1.3
177.09117	6.4
179.10707	0.8
185.32767	0.7
187.11200	1.2
190.09900	2.4
191.10645	7.5
201.12746	1.1
205.12248	20.0
215.14343	1.1
219.13824	1.6
267.26797	1.2
291.26776	1.2
415.31686	4.5
416.32495	0.9
425.34039	3.0
443.19485	0.8
443.35223	15.3
444.30951	1.0
444.36011	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	444.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78546	0.2
53.03945	0.5
55.01878	1.3
56.96556	0.4
57.03439	2.2
59.05000	1.9
61.02912	1.1
67.43700	0.2
69.03429	6.6
70.04199	0.5
70.04508	0.2
71.01361	0.3
71.04989	0.7
73.02917	0.5
75.04486	0.8
81.03423	1.1
85.02906	8.4
87.04472	5.3
89.06082	0.2
91.03953	0.6
91.05786	0.3
94.04038	0.3
97.02893	3.9
98.97581	0.8
99.04446	0.7
101.06025	2.4
108.06872	0.2
109.02888	0.9
110.97566	0.3
111.04417	0.6
115.03928	1.6
116.98653	0.4
119.03550	1.0
124.26054	0.2
127.03929	1.1
129.05458	1.0
136.06186	100.0
137.04626	0.4
137.06636	1.4
139.03848	0.7
140.04237	0.4
145.04970	0.8
147.06522	3.7
173.44019	0.2
219.01747	0.6
237.02838	0.3
267.64917	0.2
276.05576	0.3
282.11978	11.3
283.12137	0.5
298.11511	1.2
313.02509	0.3
325.01932	0.2
403.05649	0.4
444.17203	5.9
445.17105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
55.05501	0.7
57.03426	1.0
67.05498	2.7
68.99786	0.9
69.03427	1.5
69.07067	17.0
69.72015	1.4
69.72366	1.2
73.02913	0.8
79.05507	1.4
85.02911	3.0
87.04466	0.8
91.05414	0.7
95.04958	1.8
97.02889	0.8
97.06530	17.6
97.07118	1.3
123.04428	100.0
124.04765	1.3
127.03931	0.6
131.08545	0.8
139.03909	0.9
141.07005	2.0
147.04402	0.8
148.16217	0.7
149.05997	2.0
151.03894	7.4
155.08562	1.4
157.90698	0.6
159.08055	2.6
160.05200	1.3
161.05977	2.2
161.16122	0.7
163.03868	1.6
163.07574	0.6
165.07083	1.1
167.03374	0.8
167.32187	0.7
169.04993	3.3
169.10036	0.7
173.06000	2.6
173.09608	1.0
175.07578	1.4
177.05440	3.8
177.09106	0.7
181.04971	0.7
182.73946	0.6
183.08075	2.8
186.06679	0.8
187.07530	1.3
189.05367	1.2
193.04930	0.7
201.05505	0.8
201.09088	21.8
202.09430	1.1
203.07094	5.1
203.10655	1.1
205.04999	1.3
205.08495	3.9
211.07520	19.6
212.07912	0.7
214.06273	1.1
219.10155	3.6
229.08603	23.4
229.12167	1.3
230.09071	1.0
247.09659	39.4
248.10005	1.2
255.50929	0.7
265.10709	25.7
266.11255	0.8
323.31049	0.6
439.03012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
61.02905	0.7
67.05501	2.6
68.99780	0.9
69.03421	1.3
69.06709	1.0
69.07072	17.1
70.43095	0.7
70.43417	0.8
79.05470	1.5
81.03394	0.7
82.76564	0.7
85.02901	2.4
91.05474	1.8
91.31419	0.6
95.04972	2.2
97.02883	1.0
97.06531	18.0
100.19651	0.6
115.07572	0.8
123.04429	100.0
124.04797	1.5
131.08603	1.4
141.06949	1.8
147.04382	1.0
149.05975	2.1
151.03888	6.3
155.08527	1.5
159.08055	1.5
160.05153	0.8
161.04163	0.7
161.05981	1.7
163.03889	1.8
165.05588	1.0
165.07013	1.8
169.04941	3.8
173.05997	2.3
173.09564	1.4
175.07547	1.2
177.05486	3.2
183.08102	2.5
183.78360	0.6
186.06697	1.3
187.07561	1.4
189.05515	0.8
193.04950	0.9
201.05435	1.5
201.09093	26.1
203.07089	3.7
203.10657	1.2
205.04973	1.3
205.08604	3.0
211.07518	17.5
212.07993	0.8
214.06299	1.5
219.10164	3.7
229.08600	24.5
229.12096	1.1
230.08965	1.1
247.09647	42.2
248.09966	0.9
261.24670	0.7
265.10699	27.3
266.11197	0.8
388.89099	0.7
434.80307	0.6
445.16623	1.1
469.42410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.6
60.90663	1.1
67.05504	1.4
69.03439	4.5
69.36057	4.4
70.06593	2.0
79.05493	2.2
81.07077	3.3
83.04972	6.6
85.02913	4.0
89.74510	1.2
93.07069	5.3
95.04967	2.4
97.02885	1.7
101.03681	1.2
105.07007	2.9
107.08614	6.7
109.02901	7.8
109.06536	3.6
110.71655	1.2
111.04446	2.2
113.06046	1.3
117.07052	2.0
119.08603	4.7
121.06492	11.9
121.10185	1.9
123.08106	1.9
131.08601	3.4
132.05679	3.0
133.10152	2.3
135.08038	13.7
137.06017	2.0
137.09593	1.3
139.03918	1.4
143.08571	1.5
144.09360	1.8
145.06494	1.9
145.10207	2.1
147.08002	1.2
149.06007	2.0
149.09589	6.5
152.56013	1.1
155.08554	1.4
158.07336	1.4
159.08089	3.2
159.11679	6.7
163.07549	8.9
164.35649	1.3
170.10954	1.8
172.08861	2.1
173.09671	5.7
173.13252	13.8
183.11673	2.7
186.10411	3.5
187.11185	23.9
188.11391	1.7
189.09218	1.3
191.07031	4.8
201.12772	22.0
203.14349	1.9
205.12242	6.3
211.11227	3.5
219.13864	5.0
223.69174	1.3
229.12267	32.8
229.14418	2.4
230.12592	1.6
245.10306	1.4
247.13303	100.0
248.13663	4.9
265.14334	9.6
306.50644	1.5
444.26569	1.3
445.24374	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	444.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01859	2.6
57.03439	5.9
57.23042	0.5
59.04979	0.5
61.02635	0.7
61.02926	8.5
62.77824	0.4
67.05501	0.7
69.03426	18.2
69.22714	1.8
69.23122	0.9
71.04984	2.2
73.02913	2.9
76.25615	0.4
80.19090	0.5
81.03410	7.4
81.07037	0.6
82.47275	0.5
83.01309	0.5
85.02902	100.0
86.03235	1.4
87.00830	1.0
87.04481	1.6
91.03956	5.4
91.05473	1.0
93.07053	1.0
97.02892	23.5
99.04469	4.8
100.35483	0.5
103.03973	1.0
105.01840	0.6
105.07017	1.1
107.08617	2.0
109.02873	9.7
115.03941	1.1
119.11541	0.5
121.06531	0.7
123.04426	3.3
124.01998	0.5
124.04745	1.5
127.03912	26.4
133.10135	2.2
135.08035	4.2
135.11713	1.8
136.08406	2.0
139.03905	1.8
140.04329	0.6
145.04951	55.3
146.05261	0.8
146.33366	0.5
151.03963	0.7
159.08041	0.6
159.11621	0.6
160.12012	0.6
161.09581	1.0
163.06012	28.2
173.09592	0.7
174.09918	0.6
179.10664	4.7
187.11237	1.0
188.11523	1.0
194.93185	0.5
197.11722	13.2
215.10786	0.7
216.11026	0.8
218.52473	0.5
233.11833	0.7
234.12135	1.3
245.11708	0.6
246.12193	1.1
246.14709	0.7
263.12943	0.6
264.13190	1.4
265.16495	1.4
325.11362	1.3
326.88297	0.5
423.49805	0.6
445.10883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	49.5
61.94192	1.0
69.07069	1.7
70.06580	2.4
77.03920	1.6
81.07060	1.3
87.04469	2.8
89.06037	54.3
91.05482	4.6
93.07049	11.1
94.55978	1.1
95.04955	4.3
97.10213	1.0
103.05485	2.3
105.04475	1.4
107.07068	1.1
118.07744	2.0
119.04934	2.8
119.08562	3.1
121.06506	50.9
130.08621	1.3
132.10135	1.6
133.08612	33.4
135.08035	1.7
147.08093	7.1
149.09631	1.9
165.09122	20.4
166.09514	1.3
177.11198	6.3
177.12682	2.1
182.28773	1.1
209.11746	11.3
227.12781	3.1
233.19038	10.2
271.15366	2.7
277.21613	8.8
289.16064	1.4
315.18042	100.0
316.18338	4.0
321.24164	3.4
363.29770	1.3
403.18640	1.5
427.30554	31.3
428.30972	2.3
444.24088	5.0
444.33527	2.3
444.40387	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	444.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22528	0.4
61.15652	0.5
69.26960	2.1
70.06593	100.0
71.06924	1.2
82.89133	0.5
85.58029	0.5
85.96236	0.4
112.07603	34.3
113.07951	0.8
216.27318	0.5
232.72220	0.5
318.80463	0.6
334.29727	0.5
415.36154	0.5
442.28983	0.6
444.34705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12089	0.6
56.96570	12.4
60.05645	0.8
60.61160	0.6
60.69443	0.8
62.95076	0.7
69.83943	2.0
69.84333	1.3
73.04755	3.7
84.96033	2.5
86.43301	0.7
91.05791	5.5
94.57841	0.7
98.97585	18.7
108.62616	0.8
110.97556	2.4
116.98626	7.0
128.98595	2.3
134.99657	1.8
139.03915	0.7
146.99632	1.3
149.04535	1.1
161.01155	0.8
167.05528	3.8
175.11914	0.9
190.24184	0.9
193.99167	0.8
194.99687	1.6
197.01210	1.1
199.99878	1.4
203.97354	0.8
204.99908	0.9
205.98778	1.6
208.91756	0.7
211.02765	1.0
211.99911	1.1
213.00739	2.6
219.01735	0.9
221.01216	1.0
221.68544	0.8
221.98422	2.6
223.99905	7.1
225.04350	1.1
226.01529	2.7
227.02347	1.1
229.03737	1.2
233.98566	0.8
235.99971	1.3
237.00642	2.0
237.02843	2.1
239.02280	8.6
239.99365	6.6
241.03819	1.1
242.00980	16.6
243.01797	1.2
244.02643	1.1
249.97838	3.3
251.02348	1.7
251.99384	4.7
254.00935	2.4
255.01898	1.4
257.03329	21.7
258.00507	1.5
260.02057	7.0
265.00150	2.9
266.00900	1.4
267.01801	1.3
267.98926	21.6
269.03387	4.9
270.00595	3.6
273.02829	1.3
275.04361	2.5
277.00018	1.3
279.98868	6.7
280.99902	0.7
281.03415	2.8
282.98154	1.1
283.01218	19.7
284.01663	1.1
285.02835	2.9
285.99936	10.5
287.04321	1.7
295.01300	6.9
295.98413	1.4
297.99963	4.8
299.04364	1.2
301.02295	36.1
302.02618	1.2
307.01376	3.3
308.01801	1.0
311.00723	1.9
313.02295	29.3
319.03433	1.6
325.02252	11.8
327.03925	1.2
331.03397	10.2
337.02280	1.9
341.01801	2.0
343.03400	4.8
355.03384	2.9
359.02802	6.3
367.03366	2.0
385.04370	22.9
403.05472	100.0
404.06021	5.3
405.05518	0.9
421.06488	3.3
426.07019	2.3
427.05261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	10.0
60.80404	3.0
61.28871	3.0
69.58926	6.7
69.59312	5.8
70.06601	5.1
73.04768	24.1
84.95997	3.4
91.05795	34.8
98.22718	3.7
98.23299	9.7
98.97577	30.7
102.96917	3.4
110.97582	4.9
116.98628	14.3
128.98567	6.2
139.03954	4.4
149.04478	3.6
159.62572	3.5
167.05527	15.9
219.01842	10.0
225.04367	8.0
227.02174	3.7
229.00229	3.9
237.02849	11.1
265.02087	4.0
313.02267	6.3
325.02255	5.7
342.99448	3.8
359.02887	29.2
385.04288	6.5
385.09024	4.7
403.05411	10.8
445.11154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1106
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
53.19878	2.9
56.96571	9.6
70.06596	3.5
71.15433	3.1
73.04765	20.9
78.81306	2.7
91.05801	31.6
98.73362	2.8
98.97575	29.6
110.97570	4.5
113.98459	3.1
116.98644	11.3
120.00183	2.8
128.98625	5.3
129.67293	2.7
134.99644	6.0
146.99690	3.3
167.05586	12.9
170.99725	5.0
177.00719	3.1
181.05078	4.4
192.01785	2.8
219.01846	9.2
225.04376	7.1
237.02882	12.0
247.05038	3.1
255.01775	3.6
302.83539	2.9
313.02118	3.3
325.02280	7.0
342.99658	3.5
357.72995	2.7
359.02802	30.9
385.04282	7.8
403.05447	6.6
445.11160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1839
Annotation	Aglacin D
Peak:m/z	Relative Intensity
58.08391	0.8
66.55804	0.8
69.71118	1.0
71.44360	1.0
73.04747	3.3
81.38975	0.9
85.02901	0.9
91.05804	5.2
98.97578	1.3
116.98552	1.3
139.03912	3.3
151.03909	1.3
161.98260	1.7
167.05544	2.9
171.08046	2.7
172.08440	1.2
181.04866	1.1
195.87393	1.0
197.08078	1.7
206.80673	0.8
225.04305	2.2
228.96368	1.0
253.49896	0.9
283.00946	1.4
301.02307	1.4
325.13654	1.1
359.02933	4.8
402.93988	1.0
427.20120	1.1
445.18375	100.0
446.18710	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	445.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92239	19.8
69.30416	61.7
69.30827	40.0
86.09696	24.6
87.51801	17.6
98.22948	69.3
144.24638	16.8
151.07518	23.5
184.53540	17.7
445.19876	100.0
445.29163	45.5
447.00186	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	445.1989
Annotation	Catuabine F
Peak:m/z	Relative Intensity
69.68105	25.0
70.06589	22.7
70.15907	6.4
78.25256	6.3
80.94852	8.4
81.01971	6.2
91.25380	6.9
94.66730	5.8
96.08195	9.0
98.22777	14.6
98.23383	15.0
105.28091	6.8
119.08517	10.2
216.46483	7.9
403.18860	10.5
445.19891	100.0
445.31418	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	445.207
Annotation	Tataroside
Peak:m/z	Relative Intensity
55.05505	1.0
59.22155	0.9
67.05500	1.2
69.03417	2.7
69.31352	3.5
71.05035	1.0
73.04766	0.9
73.31744	0.8
79.05498	2.1
81.07063	2.4
83.04987	2.1
85.02907	5.4
87.51351	0.8
89.03930	1.0
91.05490	3.5
93.07030	3.9
95.04975	10.1
95.08622	1.2
97.02924	2.2
105.07034	9.0
107.08587	2.3
109.06498	2.6
111.04438	15.0
117.03396	1.4
117.07024	3.5
119.08583	7.8
121.06506	4.3
121.10165	2.4
122.03186	0.8
123.08078	4.5
127.03973	1.0
129.07002	1.3
131.08556	6.1
133.06432	4.6
133.10115	1.5
135.08083	1.9
137.09651	1.1
140.22829	0.8
141.06947	1.4
142.00369	0.9
142.12451	0.9
143.08566	2.5
144.09322	1.5
145.02834	5.7
145.06485	2.9
145.10127	5.7
147.08040	11.6
147.11716	1.4
149.05965	2.0
149.09625	1.6
155.08592	0.9
155.10693	2.5
156.09308	1.1
157.10168	1.8
158.07272	2.7
159.08066	7.4
159.11679	6.8
161.09644	3.1
163.07574	1.8
167.10707	2.1
168.09288	1.4
171.08022	1.7
171.11722	1.4
172.08838	3.2
173.09604	2.1
173.13295	2.1
175.07553	9.8
177.05464	11.4
183.11708	1.8
185.13297	1.4
187.11105	4.0
189.09106	3.8
193.08620	13.6
193.10161	1.2
196.08910	1.4
199.11140	6.9
201.12775	3.4
205.12247	1.6
207.69102	0.8
211.11206	5.1
217.12265	6.5
229.12209	5.4
235.13342	3.2
247.13313	21.9
248.13635	1.6
265.14340	100.0
266.14685	4.4
374.82651	0.9
445.15811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.207
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.06244	1.6
52.84932	2.0
57.03426	1.9
67.05508	2.1
69.03431	5.4
69.62894	4.0
73.04771	2.8
78.58266	1.5
79.05482	1.9
80.74806	1.6
81.07062	3.4
83.04950	2.1
85.02904	13.0
86.09729	1.8
87.04468	3.5
88.13942	1.6
89.03913	1.6
89.06021	10.4
91.05481	4.8
93.07054	4.9
95.04966	9.1
95.08611	2.2
97.02850	3.7
98.23454	3.5
99.23335	1.7
103.03966	11.4
105.07031	7.1
107.08589	3.1
109.02918	2.9
109.06555	3.2
111.04436	18.4
117.03384	4.3
117.07058	2.0
119.08589	10.9
121.02840	2.8
121.06503	3.7
121.10136	2.6
123.08042	4.6
127.03923	2.8
131.08537	8.7
133.02875	2.0
133.06465	5.3
133.08598	5.3
137.06001	1.8
137.09523	2.3
139.03947	8.4
141.06961	1.6
145.02792	8.6
145.10165	5.3
147.04404	1.9
147.08066	13.6
149.05963	3.5
150.03128	5.0
153.05557	1.9
154.07616	1.6
157.10141	2.1
158.07251	4.5
159.04430	2.6
159.08043	9.6
159.11710	7.2
161.09692	4.0
163.03949	2.1
163.96867	1.9
167.10724	3.0
171.08064	2.1
172.08852	2.2
173.13261	2.3
175.07552	11.3
177.01909	9.6
177.05487	24.4
179.03418	1.8
181.04951	8.5
181.06398	1.9
187.03926	2.7
187.11169	7.5
189.09100	3.3
191.03419	4.5
193.08600	16.0
194.02069	3.0
196.08797	2.7
199.11172	6.6
205.04979	6.6
209.02444	3.3
209.04442	66.4
210.04893	2.7
211.11319	3.5
217.12253	5.2
219.06476	2.1
221.04466	3.2
229.12224	3.7
233.04475	6.6
247.06047	2.3
247.13252	15.1
251.05562	7.1
263.05496	3.3
265.14349	100.0
266.14667	4.4
275.05560	9.9
293.06403	4.5
311.07788	1.9
347.02319	1.6
359.03024	2.8
401.17856	3.8
445.21033	21.5
446.21033	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	445.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01861	2.5
55.05505	9.2
57.03181	1.6
57.03441	14.6
57.07077	1.6
59.05012	1.3
61.02932	2.0
65.03930	2.1
67.05503	44.4
69.03433	17.7
69.07061	6.5
69.26960	1.3
70.06587	1.7
71.04991	100.0
72.05317	2.2
72.08150	3.0
73.02944	1.3
79.05497	16.9
81.02962	2.1
81.03416	29.0
81.07056	62.8
82.07376	1.9
83.04976	10.8
83.08614	5.3
85.02900	9.1
85.06537	10.4
86.06061	3.0
87.04485	9.0
91.05466	38.0
93.07046	18.6
95.04963	4.8
95.08588	8.5
95.84434	1.2
97.02893	34.2
97.06525	7.2
98.06071	8.4
99.04448	4.4
99.08090	2.2
103.03983	2.6
105.07023	22.7
107.04963	1.8
107.08595	15.0
109.02870	6.9
109.06531	4.4
109.10149	11.3
111.04447	6.5
111.13952	1.3
117.07032	3.0
119.08580	3.9
121.06495	1.4
121.10130	5.1
123.04443	1.5
123.08009	1.5
123.11707	13.4
127.03914	9.1
129.05493	3.8
130.08646	2.1
131.08537	4.8
133.10132	30.7
135.08072	1.4
135.11700	3.9
140.10706	5.2
145.10117	2.2
147.11699	3.0
149.13199	6.1
151.11186	18.6
151.12282	1.9
157.10164	2.0
158.11769	27.2
159.11678	7.3
161.13303	2.3
169.12218	3.8
173.04462	8.7
177.12787	6.8
183.06544	2.9
183.13834	7.5
187.13274	21.9
187.14828	1.7
195.13789	6.9
201.07614	1.8
201.14854	18.1
202.14320	6.3
210.05357	1.3
213.14909	3.0
213.38072	1.1
231.17476	1.4
241.18178	2.0
243.15991	6.6
250.49443	1.5
256.06119	3.8
257.17477	53.8
258.17899	3.5
269.17462	6.7
284.02844	1.7
284.05527	9.6
285.16983	1.4
286.33655	1.1
301.20117	7.9
332.78513	1.2
339.17972	3.7
351.18121	1.5
359.03113	1.5
369.18973	1.2
395.20648	4.2
413.21536	10.4
445.24329	87.1
446.27969	11.7
457.56488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2949
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
50.28308	0.6
51.55049	0.4
53.03940	1.9
55.01880	2.9
55.05258	0.8
55.05510	10.7
56.19605	0.6
57.03429	2.0
57.07075	1.1
59.04998	0.9
65.03929	1.4
65.08897	0.5
67.05502	26.9
69.07108	9.9
69.07439	1.9
71.04993	2.3
75.12041	0.5
77.03916	1.1
79.05487	23.2
81.03395	0.7
81.07057	26.0
83.04990	1.4
83.08613	5.8
85.06551	1.8
91.05474	33.2
93.06444	1.1
93.07043	21.6
95.04973	5.3
95.08608	17.0
96.08931	0.6
97.06525	2.9
97.10150	2.3
99.08105	1.0
103.05453	1.2
105.04530	1.5
105.07033	29.4
107.04970	2.6
107.07919	1.0
107.08591	10.4
109.06508	3.1
109.10139	5.8
111.08080	1.5
112.21822	0.5
115.05453	2.2
117.07014	14.3
118.07328	0.7
119.04908	0.6
119.08578	18.9
120.08912	0.7
121.06527	2.8
121.10134	6.7
123.08072	1.8
123.11694	0.7
125.05996	0.5
125.09624	1.3
125.20446	0.5
128.06242	3.0
129.06996	11.7
130.07771	1.0
131.08565	26.6
132.08907	0.7
133.06488	2.1
133.10130	10.3
135.08069	2.2
135.11665	3.2
137.09593	0.9
141.06966	4.0
142.07777	1.5
143.08565	11.0
145.06476	1.4
145.10121	16.2
147.07994	3.1
147.11685	4.0
149.09607	1.3
149.13235	1.2
151.11168	0.9
153.07028	1.1
155.08559	7.8
156.09273	0.7
157.10114	8.7
159.08076	1.4
159.11697	7.1
161.09575	1.7
163.11246	0.8
167.08540	2.5
169.10156	4.9
171.11705	6.3
173.09625	0.6
173.13234	3.0
175.11072	0.8
177.12738	0.8
179.08722	0.5
181.10124	3.8
183.11690	4.5
185.09647	0.8
185.13261	2.8
187.11168	1.3
187.14856	1.9
189.12811	0.7
195.11707	3.1
197.13232	4.1
199.11189	0.8
199.14844	2.0
201.12709	0.9
207.11819	0.9
207.13768	0.9
209.13307	1.8
211.14880	2.3
213.12895	0.6
213.16386	1.1
215.14345	0.9
217.15933	0.8
223.14818	2.1
225.16400	1.7
227.14380	1.2
227.17923	0.8
229.15903	0.9
233.15424	1.5
235.14680	0.6
237.16431	1.4
241.15918	1.6
243.17378	1.4
245.15279	0.9
247.16959	1.9
249.16309	0.6
250.22073	0.6
255.17516	1.2
259.16943	1.2
261.18567	1.4
273.18390	1.0
275.20148	1.0
307.24158	0.8
325.25208	2.0
333.20828	0.8
335.23630	3.7
343.26346	4.0
353.24734	14.4
354.25024	1.4
371.25821	12.7
372.26120	0.7
389.26831	12.0
389.31799	0.6
390.27194	1.1
427.28458	3.9
445.29465	100.0
446.29913	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24522	1.4
55.05509	5.9
57.07071	2.0
67.05502	11.1
69.03439	2.0
69.07059	9.3
69.96183	1.2
71.04984	1.6
78.92794	1.3
79.05512	6.4
81.07053	16.2
83.01380	1.3
83.05003	1.4
83.08617	2.6
85.06513	1.5
91.05484	5.8
93.07031	6.6
93.70720	1.7
95.04982	1.8
95.08599	14.6
97.06539	3.0
97.10149	2.3
105.07021	8.6
107.08601	5.0
109.10175	7.6
111.04415	6.4
111.08081	2.2
111.11711	1.8
111.67387	1.2
117.07014	2.6
119.08579	5.3
119.42072	1.3
121.06509	2.9
121.10123	4.5
123.08067	10.7
123.11689	3.2
128.06281	1.2
131.08560	6.3
133.10110	2.7
134.98100	1.2
135.08047	15.2
135.11705	3.4
137.05968	1.7
137.13219	2.0
143.08574	1.8
145.10130	4.3
147.11575	2.0
148.65581	1.5
149.09587	8.3
149.13269	1.5
151.07533	100.0
153.12732	2.0
156.53358	1.3
157.10097	1.5
159.08034	3.6
159.11665	2.2
161.09590	1.7
162.06795	1.6
163.11145	6.5
164.51953	1.5
165.09088	6.8
166.09390	1.4
171.11794	1.5
173.09628	5.4
175.07556	1.6
175.11168	1.9
176.08377	5.0
177.09108	54.9
187.11153	2.7
189.09151	9.4
189.12807	1.8
190.09837	1.6
191.10655	75.2
199.11157	2.4
203.10654	2.8
205.12236	41.3
206.12541	1.9
210.21814	1.4
212.31729	1.3
217.12215	1.7
219.13802	5.4
231.13899	1.7
399.28839	5.7
409.30820	3.1
417.30127	5.8
427.31955	9.0
445.28903	7.3
445.33273	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3314
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
55.05509	6.0
57.07072	3.6
57.24012	1.3
61.97581	1.4
62.79081	1.5
65.40656	1.4
67.05499	7.5
69.07070	9.3
70.75637	2.0
71.04986	7.0
71.08614	1.5
74.00681	1.4
76.35398	1.3
79.05473	3.2
80.68615	1.3
81.07055	19.5
81.56207	1.3
82.68699	1.4
83.04960	1.8
83.08622	4.2
91.05485	3.0
93.07040	6.4
95.08617	17.3
97.10168	1.9
99.08153	1.5
105.07057	1.8
107.08659	1.8
109.06534	1.8
109.10149	13.6
119.08565	2.8
121.06518	1.9
121.10163	1.7
123.08047	2.2
123.11697	8.0
127.11130	2.3
135.08073	1.6
137.05977	7.9
137.13266	5.3
138.06721	1.8
139.07477	1.8
147.07996	1.7
149.05989	6.0
151.07547	29.6
151.14732	1.6
153.05409	1.6
161.05975	4.0
161.09573	1.8
165.05470	11.7
165.09125	7.8
166.06192	1.9
167.07036	100.0
168.07452	2.1
173.09737	2.2
175.07542	6.0
175.11166	1.7
177.09094	4.2
179.07040	3.4
179.10663	2.1
181.08556	2.2
185.09555	2.6
189.09114	20.1
191.06938	1.7
191.10646	2.0
193.08624	4.9
193.31567	1.4
199.11278	2.1
203.10693	11.0
205.12209	2.3
207.10176	7.3
217.12247	6.0
221.11719	3.4
231.13863	3.1
235.13313	2.1
291.27112	2.2
359.55267	1.7
409.30972	3.0
427.32092	29.5
428.32352	2.3
445.33124	42.2
446.33527	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
57.06347	1.4
57.07081	3.5
58.91029	1.3
61.99098	1.3
67.05506	10.6
69.07064	19.0
71.04990	2.5
71.08656	1.3
79.05489	6.9
79.08243	1.3
81.07049	22.9
83.08624	5.6
85.06557	2.1
89.06049	1.6
91.05492	5.5
93.07037	19.1
93.07524	1.6
95.04996	4.4
95.08605	66.2
97.06531	14.6
97.10176	3.6
98.23505	3.5
99.08101	4.8
105.07029	21.0
107.08600	29.9
109.06525	2.0
109.10159	24.1
111.08087	4.5
111.11696	10.0
113.09628	2.0
117.07002	3.5
119.08582	30.4
121.10135	32.5
123.08086	8.7
123.11716	16.8
125.09639	3.1
131.08568	4.9
133.10103	18.4
135.08012	2.7
135.11687	25.2
137.09663	3.8
137.13240	1.9
139.07536	2.7
139.11194	3.9
145.10136	18.5
147.11676	11.6
149.09673	2.3
149.13275	5.9
159.11693	31.4
160.12090	1.8
161.13242	10.9
163.11217	3.3
163.14912	1.9
165.09131	5.4
173.13239	10.1
175.14804	10.2
177.16377	3.1
179.14346	3.4
189.16422	12.2
190.64967	1.3
191.17941	83.5
192.18315	2.7
201.16368	27.6
207.17447	3.6
209.19002	100.0
210.19365	5.6
219.17435	17.5
235.16957	2.2
237.18480	31.0
238.18996	1.7
250.21736	1.6
255.31194	1.4
315.18149	1.5
316.18625	1.6
397.55792	1.6
422.79816	1.7
445.36807	75.1
446.37241	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	446.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
55.93523	1.7
61.35293	0.7
67.05507	1.5
70.06588	1.2
70.57491	1.2
70.95853	2.3
72.93783	3.0
73.82635	0.7
81.07017	1.0
85.73528	0.7
85.75949	0.7
88.96891	1.4
90.94823	2.3
116.07111	1.4
116.96346	1.2
119.08591	3.0
120.55730	0.7
126.98414	0.8
130.97919	1.5
137.06000	1.6
138.98436	1.5
142.97934	1.1
144.99501	1.0
148.98938	1.0
156.99484	1.2
157.54254	0.7
166.97963	1.5
179.05226	1.1
184.98944	1.6
185.02531	1.0
187.02078	0.9
194.97427	1.1
210.96867	7.8
212.98454	1.6
222.96910	4.9
226.96521	1.2
228.97975	6.4
230.99506	1.4
236.98511	1.3
238.96426	2.9
240.97984	4.7
241.79990	0.8
253.95204	4.0
256.97482	1.2
257.98312	1.2
258.98889	3.9
323.05783	1.8
348.06445	1.6
353.06802	2.1
375.12360	0.9
377.13953	1.3
385.10965	2.1
387.12610	3.4
395.15076	3.7
403.11969	2.8
405.13562	46.5
406.14035	2.7
421.13193	1.3
422.15271	0.9
423.14667	100.0
424.14761	5.1
445.41031	1.2
446.16241	22.8
446.32651	1.6
447.16733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66566	0.4
53.03939	0.8
55.01864	0.9
55.05509	6.4
57.03421	0.5
59.04994	0.8
61.02945	0.7
65.03941	0.4
67.05498	0.5
69.03416	1.7
69.29427	2.8
73.02911	0.6
79.05488	0.7
81.03414	1.7
81.07080	0.5
83.04980	31.6
85.02900	7.7
87.00821	1.7
91.05435	1.0
93.07053	0.6
94.70197	0.5
95.04955	0.8
97.02881	1.2
98.22705	1.1
103.03926	1.0
103.05407	0.6
104.27525	0.4
105.01864	2.9
105.07037	1.0
106.02900	0.9
107.08588	0.6
107.47025	0.4
109.02886	2.6
111.04424	0.5
115.00651	0.4
117.07027	5.2
119.04903	0.8
121.02859	0.8
121.10162	0.5
124.03967	1.1
127.03896	3.1
130.75786	0.4
131.04944	0.9
133.02832	1.4
137.02364	0.9
138.03098	0.6
139.03893	3.6
142.24681	0.5
143.07034	1.0
143.08675	0.4
145.04948	1.5
145.06395	0.8
145.10120	0.8
147.04422	1.5
149.02325	2.5
150.03130	3.8
153.05450	1.0
159.04373	1.5
162.03125	0.6
163.03914	1.9
163.07533	4.0
165.05414	1.2
166.02620	0.8
171.04324	0.6
173.02303	0.5
175.03879	1.0
177.01848	6.4
177.05435	1.5
179.03392	1.3
181.04950	6.8
185.08086	1.0
185.37357	0.5
187.03870	1.4
191.03384	3.0
193.05002	1.3
194.02066	6.5
195.02933	1.6
197.04472	1.4
202.52306	0.5
204.04134	0.8
205.04948	3.7
207.02972	0.7
207.06538	0.6
209.04442	100.0
210.04703	2.4
215.03452	1.0
217.04942	0.6
218.65233	0.5
219.03003	0.5
219.06505	1.5
221.04475	2.2
223.06006	0.7
223.09613	0.8
231.04898	1.0
231.10228	0.7
231.13805	1.3
232.03447	0.5
233.04408	2.9
235.05972	0.9
243.02893	1.0
247.06055	2.9
249.14845	1.1
251.05481	8.1
257.04364	0.7
260.03217	0.7
263.05579	2.2
267.12320	1.0
275.05447	4.7
291.61935	0.5
293.06488	6.1
311.07510	0.9
329.08459	0.9
386.17941	0.5
411.12781	1.0
442.95700	0.5
446.10504	1.3
446.20102	1.8
447.16522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69873	0.3
55.01874	0.5
56.57291	0.3
58.10855	0.3
62.48389	0.3
62.57596	0.3
69.03431	0.6
69.21155	1.0
69.21572	0.9
79.05485	0.7
81.03393	0.4
81.07076	0.4
85.02895	1.2
86.70913	0.4
91.05437	0.5
95.04978	1.0
97.02888	0.6
99.04435	0.4
103.05470	38.2
104.05807	0.8
105.07037	1.4
106.02909	0.5
106.84832	0.3
107.04948	0.4
107.08587	0.6
108.27852	0.3
111.04395	0.4
117.07015	0.3
119.08614	0.4
121.10113	0.3
124.03947	3.1
127.03889	1.0
131.04930	100.0
132.05261	2.4
133.06479	1.0
136.06197	0.7
137.02364	0.4
137.05986	1.6
138.02637	0.7
139.03897	4.3
140.04236	1.5
141.04443	0.4
145.10164	0.5
147.08057	0.4
149.05917	0.4
151.03903	0.6
153.01820	1.1
153.05421	0.4
154.02180	0.5
157.10069	0.5
163.07545	40.9
164.07881	0.8
165.09079	0.4
173.09618	0.6
173.78090	0.3
175.07535	0.6
181.08624	1.5
187.07675	0.4
189.12660	0.5
195.06839	0.3
205.12303	1.0
213.12680	0.4
224.48372	0.3
227.22182	0.4
227.24802	0.3
231.10014	0.4
231.13789	1.6
244.71806	0.4
249.11253	0.6
249.14786	0.9
267.12317	0.4
267.15948	0.4
446.24539	0.6
447.16275	1.9
463.58432	0.4
466.78412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17811	0.6
68.05014	0.9
69.03425	9.4
69.64661	0.6
69.96325	0.8
69.96645	1.1
72.08123	0.7
80.66200	0.5
86.06065	18.7
87.04463	53.3
90.05501	0.6
104.07098	100.0
105.07438	1.7
116.07116	0.9
141.27353	0.6
147.65001	0.6
205.96039	0.6
309.05573	0.6
335.80481	0.5
400.36929	0.6
405.28897	0.6
446.11545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01261	3.0
55.05501	10.7
56.31431	3.4
57.07086	5.0
59.17140	2.8
63.46973	3.0
67.05502	20.9
69.07066	20.2
69.37366	11.3
79.05475	5.1
81.07058	25.6
83.08625	17.8
93.07021	6.3
95.08611	25.1
97.10157	6.8
98.23415	6.5
107.08582	5.0
109.10168	14.3
119.08610	5.5
121.10125	4.2
123.04424	100.0
123.11762	7.9
125.06029	3.4
149.06023	11.4
161.05981	23.3
163.07619	5.0
165.05472	6.2
173.06003	7.9
175.07614	7.6
179.17990	3.2
189.09047	22.2
191.10764	6.1
201.09119	8.7
203.10652	20.0
205.12286	4.5
215.10617	9.0
217.12187	7.0
245.22641	6.7
306.63177	3.9
369.27924	36.5
370.28189	3.8
387.28735	6.8
411.29010	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	446.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.7
67.05497	2.8
69.07080	1.6
70.06597	6.0
81.07058	4.4
83.01369	1.4
83.08633	1.2
91.05468	2.4
95.08598	4.8
109.10146	4.5
116.07093	8.9
119.08566	9.8
137.05952	2.3
137.09592	5.5
145.64767	1.1
147.08040	5.4
151.07567	1.8
162.06699	1.1
163.07565	4.5
165.09111	100.0
166.09494	2.5
177.09195	2.3
179.10681	2.1
191.10675	9.2
205.12263	7.6
219.13991	2.0
233.15372	2.2
244.90189	1.1
252.66766	1.1
269.37625	1.0
331.26303	47.7
332.26727	2.9
345.17169	1.7
363.18564	2.3
381.19431	4.4
405.19412	6.0
418.50302	1.1
446.19928	2.3
446.25836	18.4
447.27054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47251	0.9
51.86909	0.8
53.78129	0.8
55.05495	1.4
59.05006	1.3
67.05502	4.8
69.03437	1.5
69.05993	5.7
69.07065	2.0
78.87566	1.0
79.05480	1.8
81.07076	4.7
83.08621	1.2
85.06538	0.9
88.32739	0.7
93.07050	2.3
94.37566	0.8
95.04964	1.0
95.08613	10.8
96.08969	2.1
97.06535	1.7
97.10183	1.3
105.07036	3.6
107.04952	4.6
107.08611	2.2
109.10169	2.5
111.11749	0.9
119.08575	3.6
120.08914	1.1
121.06486	1.1
121.10162	2.9
122.07296	7.4
123.08073	8.6
123.11709	1.0
133.10182	1.1
134.10472	0.8
135.08070	3.6
135.11736	1.7
137.06017	2.3
138.06778	1.6
145.10121	1.3
147.11659	1.3
150.06760	18.0
151.07541	100.0
152.08302	5.5
159.11630	1.5
160.12041	1.0
161.13275	1.0
163.07576	2.8
163.11162	1.6
164.08359	2.3
165.09041	1.1
173.09616	1.7
175.14806	1.6
177.09131	3.6
178.09462	1.7
185.47530	0.7
189.09117	2.5
189.16435	1.0
190.16728	1.4
191.10670	19.2
191.17941	2.0
192.10988	1.4
192.18311	2.5
201.16377	1.4
203.10643	1.5
205.12302	1.9
209.19057	2.2
210.19357	1.8
220.14201	0.9
238.18753	1.0
382.48141	1.0
388.29709	2.2
428.32837	30.3
429.33173	2.0
446.33374	31.3
447.34308	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1499
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
50.08500	0.7
53.03934	1.8
55.01853	0.9
57.03435	23.2
61.02926	6.5
65.03934	7.5
67.05494	1.1
69.03427	26.7
69.30137	3.3
69.77726	0.6
71.01348	3.8
73.02914	40.2
73.04752	0.9
75.31173	0.8
79.05500	0.7
81.03413	1.9
85.02904	31.5
87.04474	4.0
91.05489	1.2
93.07040	9.0
95.05025	0.7
97.02891	33.6
98.97572	2.8
99.04460	1.5
101.36423	0.8
105.06998	1.5
107.08594	2.3
109.02882	2.1
109.10148	9.1
111.04442	1.8
114.70961	0.8
115.03934	32.6
121.02866	100.0
122.03188	2.7
127.03909	7.0
129.71880	0.8
133.04970	10.1
135.11693	8.0
139.03903	1.8
145.04961	7.6
149.06007	1.2
151.03957	1.0
153.05464	89.3
154.05815	2.0
158.99652	0.9
163.03958	1.0
163.06058	2.3
163.07457	0.8
177.05508	0.9
179.10735	0.8
179.92390	0.7
223.06026	1.3
229.16405	0.8
241.07053	2.2
258.26450	0.8
259.08035	1.0
267.15887	0.9
295.10300	1.2
405.14313	1.0
447.15445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2145
Annotation	Formoxanthone B
Peak:m/z	Relative Intensity
59.64407	3.6
60.89891	3.4
61.91539	3.9
64.95934	3.2
70.06588	4.9
70.71918	5.1
73.62251	3.1
88.07641	8.1
91.20914	3.3
101.71922	3.3
102.09180	5.6
147.04448	6.0
151.07591	8.2
164.44910	3.6
175.03932	10.9
187.88380	3.7
213.75578	3.6
219.06563	20.2
256.26392	16.2
447.21469	100.0
448.21530	6.5
448.30640	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	447.2226
Annotation	Sachaloside II
Peak:m/z	Relative Intensity
50.50967	0.5
53.03951	1.3
53.09531	0.5
54.20901	0.5
54.73658	0.5
55.01873	2.8
55.05511	2.2
57.03178	0.7
57.03438	7.4
57.07070	1.3
59.04997	1.0
61.02935	3.6
67.05500	8.6
69.03426	11.3
69.07079	4.2
70.06581	0.9
71.01350	0.9
71.04994	1.1
73.02917	10.5
76.35223	0.5
79.05487	4.0
79.41401	0.5
81.03409	3.7
81.07059	4.2
83.04955	0.7
83.08634	2.5
85.02902	24.6
87.04470	0.7
91.03955	0.7
91.05472	12.5
91.05988	1.0
93.07043	82.0
94.07378	1.7
95.04967	4.1
95.08606	10.3
97.02896	13.6
97.06526	1.9
98.22730	1.9
99.04469	2.1
103.03938	1.5
105.04536	1.1
105.07041	5.3
107.04964	1.0
107.08596	41.0
108.08917	0.9
109.02885	2.8
109.06504	1.9
109.10156	89.0
110.10507	1.5
111.04455	0.9
115.03933	7.6
119.06065	1.0
119.08559	3.1
120.09348	0.6
121.06511	0.6
121.10136	1.7
123.04446	0.9
123.11686	2.0
123.96003	0.5
125.13287	1.0
127.03922	7.6
130.20709	0.5
130.96861	0.6
131.04884	0.6
131.08524	0.6
133.04962	9.8
133.10114	1.2
135.11691	100.0
136.11998	3.0
145.04968	7.9
145.10124	0.8
147.11665	1.0
149.13094	0.6
153.12741	34.2
157.04958	0.7
157.10176	0.6
159.11623	0.9
163.06021	2.8
163.07556	1.7
169.12253	1.3
175.07643	0.5
175.11201	1.1
177.12735	2.9
189.12712	0.8
219.13777	1.1
223.05945	1.1
231.13780	1.7
233.15340	0.6
241.07077	2.0
249.14870	5.1
259.08109	1.5
261.14835	0.9
267.15933	4.1
269.04419	0.7
270.05164	1.8
279.15875	3.3
285.07587	10.3
285.12991	1.2
285.16898	1.0
295.10190	0.9
297.16928	7.2
315.18066	5.5
447.12952	0.5
447.18384	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2224
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
53.03945	0.7
55.01865	0.8
55.05505	2.5
57.03434	7.5
57.07067	1.5
59.04999	2.2
61.02911	1.3
65.03928	0.9
67.05502	10.7
69.03426	32.8
69.07053	2.2
73.02910	2.0
75.04465	0.7
75.95142	0.5
77.03905	1.4
79.05480	4.2
81.03414	4.4
81.07058	5.9
83.04960	1.2
83.08601	0.9
85.02899	22.3
85.03416	1.2
87.04460	18.5
89.74436	0.5
91.03957	1.0
91.05473	13.9
92.05760	0.6
93.07038	84.0
94.07375	2.0
95.04970	3.7
95.08595	4.6
97.02886	33.7
97.06522	1.0
98.97597	0.5
99.04454	3.1
103.03926	0.9
105.04523	1.4
105.07024	4.8
107.04950	0.5
107.08588	38.8
108.08923	0.6
109.02879	1.7
109.06519	3.5
109.10149	100.0
110.10491	2.1
111.04433	1.6
111.08024	0.6
115.03925	31.0
117.05427	0.8
119.06050	1.1
119.08577	2.9
120.09338	0.7
121.02849	1.4
121.10117	1.2
123.04346	0.8
123.11710	2.2
125.13258	0.7
127.03933	3.2
127.04726	0.6
131.08588	0.7
133.04955	33.0
133.10123	1.9
134.05290	0.6
135.11684	95.2
136.12044	2.9
139.03886	1.0
143.03394	0.6
145.04964	6.2
147.08020	0.6
147.11743	1.0
149.05972	1.0
151.11162	3.1
153.05466	2.3
153.11578	1.0
153.12733	12.3
154.12964	0.8
157.10175	0.6
159.11823	0.7
161.04539	0.8
161.09651	0.6
162.52600	0.5
163.06035	1.2
163.07405	0.6
169.04962	1.4
169.12221	1.7
175.07448	0.7
177.05400	0.6
177.09006	0.6
177.12701	1.4
187.06067	0.9
193.08578	0.8
199.10695	0.5
211.09692	0.6
231.13824	0.9
241.07077	1.6
245.55136	0.5
249.14879	2.8
251.96777	0.5
259.08145	1.5
267.15900	9.7
277.09097	2.5
279.15842	1.7
285.07092	0.5
285.16891	2.7
295.10242	1.9
297.16846	4.5
315.18033	2.1
325.84894	0.6
330.17117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
55.05527	3.3
56.20236	3.0
57.07067	5.7
58.62365	3.2
66.35617	3.3
67.05508	5.6
69.03442	5.4
69.07056	4.7
71.43988	3.9
79.05497	6.8
81.03403	4.4
81.07040	8.8
84.08127	4.2
85.02923	6.1
89.53371	3.1
91.05461	4.9
93.07043	5.6
97.02900	8.4
103.03930	5.9
105.03400	3.6
105.07023	5.8
107.04953	5.0
109.06502	6.1
109.10137	6.4
119.04905	3.3
127.03917	3.9
129.07037	3.7
133.02881	3.0
133.06505	9.2
137.02348	3.3
137.05956	11.6
139.03900	12.8
144.32790	3.4
145.06429	4.4
147.04414	7.1
147.08086	3.9
151.03879	6.2
155.03352	12.9
159.08112	3.9
161.02385	12.2
161.05923	6.5
163.03912	21.0
163.07649	4.3
165.05470	10.4
167.03366	4.6
173.09573	4.9
175.03885	5.7
175.07556	9.5
175.11105	4.0
177.05475	7.3
179.01930	7.0
179.03397	100.0
179.07011	10.0
180.34679	3.4
185.05994	12.7
187.07533	8.0
189.05447	10.6
193.04955	8.5
203.07004	17.5
205.04967	11.2
207.06552	3.7
215.07227	3.8
217.04941	3.9
218.45284	3.1
219.02766	3.9
221.04456	86.7
221.08011	6.0
223.13304	5.2
231.09993	3.4
231.13698	3.6
245.04390	9.1
245.08167	8.8
249.14803	13.0
255.13757	7.1
263.05548	8.7
269.07733	3.5
269.13800	6.4
273.14856	23.3
281.06448	16.0
291.15894	8.5
315.15884	29.8
329.17560	5.5
333.16928	28.5
339.15842	4.2
345.16882	4.8
357.16821	8.8
375.18192	9.2
393.18927	7.2
394.55203	3.4
447.14365	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2228
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03958	2.6
55.01863	3.1
55.05512	7.7
57.03439	7.1
61.02919	3.6
65.03939	0.9
67.05504	12.4
69.03429	4.4
69.07059	2.9
71.01329	0.7
71.05001	2.1
71.47984	0.6
73.02911	1.4
75.04478	1.0
79.05491	12.3
81.03418	100.0
81.07058	11.4
82.03760	1.1
83.04984	7.2
83.08621	20.2
85.02905	7.9
85.06544	1.3
91.03949	2.1
91.05479	15.2
92.05019	0.8
93.07053	6.3
95.04971	31.8
95.08611	3.5
97.02888	7.1
97.06539	2.2
97.10167	1.8
99.04456	1.1
99.08124	0.6
103.03907	0.7
103.05524	0.7
105.07029	12.1
107.04951	7.4
107.08599	4.7
108.95823	0.6
109.02888	1.8
109.06500	3.2
109.10165	1.9
111.04446	3.3
111.08083	10.5
115.03906	0.9
115.05470	1.1
117.07024	2.4
119.04951	0.9
119.08576	13.3
120.04456	8.0
121.06521	3.2
121.10139	6.1
123.04416	3.8
123.08057	1.6
123.11714	1.1
125.09570	1.4
127.03916	1.9
129.07014	8.6
131.05048	0.7
131.08575	7.7
133.06453	3.5
133.10135	5.0
135.04420	0.7
135.08051	1.1
135.11688	1.8
137.05992	1.1
137.09625	1.4
139.03929	1.2
142.07753	2.4
143.10678	1.5
145.04982	1.0
145.06528	0.9
145.10132	3.9
146.10590	0.5
147.04437	1.7
147.08052	3.0
147.11679	8.3
149.05991	0.6
149.09639	5.5
151.03909	0.7
151.07590	0.8
157.10136	10.3
159.11638	0.7
161.05977	0.6
163.11156	3.4
165.12798	2.2
173.09644	0.7
175.11185	11.1
176.11617	0.6
181.12283	1.2
189.12798	1.0
191.10704	0.5
193.12242	76.2
194.12599	2.8
199.13297	0.5
207.13800	1.0
211.13275	8.7
215.14420	0.5
217.12253	1.0
222.98300	0.6
233.15413	1.3
235.13268	5.0
240.16385	0.6
249.14742	0.8
251.12840	0.6
251.16463	0.7
259.13400	1.7
267.15912	47.6
268.16284	2.8
271.06046	9.0
273.14697	1.3
285.02652	0.6
285.07623	1.2
285.16971	26.9
286.17227	1.3
301.14407	2.2
309.16931	9.9
343.04361	0.9
351.17926	0.7
363.18045	2.8
375.18024	1.9
386.90405	0.7
393.18988	1.3
411.20013	0.9
429.21335	4.0
447.16214	6.7
447.29266	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	447.3472
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
55.05516	13.6
57.07063	13.8
69.07063	39.1
78.59510	11.4
81.07072	19.0
83.08609	22.0
97.10152	13.4
108.89034	13.1
114.83780	13.3
149.06015	16.9
151.07520	12.0
163.07619	14.8
167.07031	100.0
177.09097	13.9
178.41107	13.5
185.04968	11.3
195.10109	18.1
207.10178	14.6
347.25732	14.8
371.29291	14.9
429.33615	53.0
447.21524	53.2
447.34552	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	447.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01870	0.8
55.05261	1.5
55.05513	21.1
57.03437	1.7
57.06819	1.1
57.07076	13.7
67.01872	0.7
67.05509	4.3
69.07069	47.8
70.59824	1.2
70.60160	0.7
71.08633	6.9
73.32288	0.7
79.05502	1.7
81.07056	12.9
83.04989	2.4
83.08618	26.5
85.10173	4.2
86.67114	0.7
91.05480	3.4
93.07046	7.5
95.04997	0.8
95.08611	15.3
97.10163	13.4
99.22768	0.8
105.07024	2.1
107.08575	2.6
109.06515	2.2
109.10172	6.5
111.04353	0.9
111.11726	6.4
117.07052	1.2
119.08575	2.3
121.06486	2.1
121.10144	1.5
123.08089	1.9
123.11715	3.6
125.13299	1.6
129.06981	1.0
131.08566	1.4
133.06487	0.9
133.10109	1.0
135.08025	1.8
137.05971	11.5
137.13232	1.9
139.03900	1.8
139.07541	3.6
141.05443	4.6
147.08003	2.7
149.06004	4.9
149.09615	0.9
149.13216	1.2
151.07542	26.7
151.08760	1.8
153.05460	0.9
157.10159	1.6
159.08040	2.5
159.11678	2.3
161.06099	3.8
161.09619	3.2
163.07497	1.8
163.14801	0.9
165.05498	9.8
165.09106	7.1
167.07037	100.0
168.07375	2.0
173.09680	1.0
175.07556	4.0
175.11169	1.6
177.09097	4.6
178.06110	1.0
179.07060	4.7
179.10704	4.0
181.08582	2.7
187.11140	1.3
188.08324	1.5
189.09105	6.4
191.07053	4.1
191.10735	2.3
192.07805	1.4
193.08585	7.3
199.11136	0.9
201.09213	1.5
203.10677	5.3
205.08611	9.1
205.12222	2.9
207.10191	12.1
215.10637	2.6
217.12251	2.7
219.10216	2.9
221.11658	4.4
229.12204	1.3
233.11798	2.3
235.13197	1.4
247.13287	1.2
249.15004	1.0
277.18060	1.3
291.19516	1.9
319.22650	0.9
347.25720	3.4
411.32260	2.0
429.33688	16.2
447.34808	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3471
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
52.41143	0.3
55.05501	0.8
56.06521	0.3
57.03472	0.4
57.07076	7.3
57.55241	0.3
63.23859	0.4
67.05505	1.0
69.07060	1.2
69.48930	1.6
71.08630	3.8
79.05469	1.0
81.07063	1.1
83.01343	0.8
83.08620	0.3
84.94854	0.4
85.10187	1.7
93.07085	0.6
95.01327	1.8
95.08644	0.8
95.22128	0.3
97.06483	0.4
99.00821	9.9
99.04465	1.7
100.65008	0.4
105.07006	0.6
107.04961	0.4
107.08600	0.6
109.02874	1.2
109.10143	0.5
113.02357	2.1
117.01876	1.0
117.07052	0.4
121.06525	0.6
123.04458	0.5
125.05998	1.1
133.10161	0.4
135.04410	1.2
135.08025	0.7
137.05984	0.6
139.07539	1.1
144.08064	0.3
145.10127	0.5
149.05984	1.5
149.09637	0.6
151.07559	1.4
153.05484	3.3
163.07559	2.4
163.11276	0.5
167.07037	2.2
177.09123	2.2
181.04959	15.0
183.06558	1.3
191.07077	1.8
191.10672	1.3
195.06529	29.8
196.06851	0.4
199.06071	0.5
205.08603	1.1
205.12309	0.7
209.08092	16.2
211.47717	0.4
219.10089	0.4
223.09657	14.8
224.10054	0.7
237.11232	11.6
251.12758	7.6
265.14301	4.0
279.15973	1.6
293.17560	1.4
307.18982	1.4
321.20459	1.8
335.22180	0.5
349.23624	0.5
363.25253	0.5
377.26944	0.6
391.28363	0.5
447.34723	100.0
448.35022	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	447.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.7
57.07087	7.2
62.01874	2.7
62.40596	2.8
62.86658	2.7
65.39622	3.2
65.91904	2.7
67.05502	12.6
69.07056	20.0
69.12028	4.4
69.12439	16.5
70.00941	2.9
70.84959	2.7
71.05001	11.8
71.08592	3.0
74.90304	2.8
79.05511	5.5
81.07061	28.5
83.08627	9.7
89.64558	3.1
91.05461	4.9
92.62470	3.1
93.07038	9.9
95.08620	30.0
97.10187	7.8
105.07032	4.8
107.08615	3.6
109.10165	19.8
113.77636	3.2
121.06525	6.1
121.10136	4.0
123.08061	12.8
123.11729	11.9
131.08600	4.2
135.08067	13.1
135.11697	6.3
137.05963	7.5
137.13243	5.1
139.07545	31.6
149.09630	5.8
151.07544	100.0
152.07857	4.1
155.07059	3.4
159.08052	4.8
163.07561	6.8
166.06207	3.1
167.07050	99.3
173.09679	4.5
176.08380	4.4
177.09111	41.4
181.08835	3.4
187.11185	3.7
187.92644	3.1
191.10670	75.4
205.12289	28.3
219.13889	4.9
275.27444	4.1
293.28491	4.3
312.18338	3.3
401.30203	3.8
423.20245	3.4
429.33658	26.6
447.34506	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	448.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
54.29810	0.6
55.01863	1.5
55.05519	2.1
57.03429	6.8
61.02923	3.8
67.05507	3.2
69.03423	8.7
69.07053	0.7
70.06573	1.0
71.01364	1.0
71.04990	14.7
71.44357	0.6
73.02917	2.6
75.04468	1.4
79.05478	2.7
81.03416	5.0
81.07053	4.0
82.06575	0.6
83.01332	0.8
83.04990	2.3
84.04488	0.7
85.02901	100.0
86.03238	1.4
87.04467	1.5
91.03942	1.5
91.05487	0.9
93.05779	0.7
94.06516	0.9
95.04940	3.5
96.04469	0.9
96.08137	0.9
97.02888	30.1
97.06516	0.6
99.04436	2.2
103.03951	4.1
105.07033	1.0
108.08109	7.0
109.02879	11.3
109.06506	1.1
110.05997	0.8
111.04462	1.6
115.03959	1.1
122.06039	4.6
125.05985	4.7
126.05518	5.4
126.09176	2.4
126.60266	0.7
127.03914	23.3
127.05910	0.7
129.05453	3.6
136.07568	11.8
138.03712	0.6
139.03905	0.9
140.07056	53.3
142.08583	0.9
145.04948	28.2
147.04424	0.8
147.06512	0.7
147.45543	0.6
150.09142	3.6
152.07057	14.4
154.04979	1.6
154.08612	6.2
157.10164	0.6
163.06026	13.9
163.07420	0.8
164.07065	17.9
164.08479	0.9
165.05544	0.7
165.09013	0.6
166.03345	0.5
168.06558	1.2
168.26924	0.5
177.05576	1.0
178.08609	14.8
181.04971	1.1
182.08122	94.3
183.08450	2.8
184.39546	0.5
188.61766	0.6
202.08707	0.7
206.08116	48.9
207.08440	1.2
209.08139	1.3
218.08112	5.0
220.09795	0.9
233.15268	0.9
236.09145	5.3
248.09163	12.8
251.09143	2.0
259.15829	0.6
266.10226	3.4
269.10229	2.1
277.11838	4.6
284.11322	6.1
296.26859	0.5
301.08505	1.0
302.12366	6.2
345.12097	0.7
416.17990	0.7
448.16840	1.9
448.22549	0.8
449.15991	0.7
461.68347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75396	1.3
55.01876	1.5
57.03432	9.2
69.03419	2.8
69.52379	5.5
71.04994	72.2
72.02322	1.3
73.02930	2.9
75.04472	3.6
80.45644	1.1
81.03410	2.6
83.04977	8.1
85.02906	100.0
85.61358	1.1
87.04470	4.5
97.02908	4.7
98.22752	2.5
99.04449	2.2
110.06042	1.6
111.04456	5.7
123.04432	3.3
127.03927	3.0
129.05481	46.4
139.03934	2.2
144.06537	1.2
145.04941	5.7
147.06526	28.8
151.04021	1.2
154.08615	1.9
162.07611	1.6
163.06039	2.0
164.09172	5.7
233.15305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05504	3.8
56.29088	0.9
57.03446	9.8
57.07069	0.9
59.04996	0.9
61.02929	1.8
67.05499	1.7
69.03426	4.0
70.97002	1.2
70.97328	1.1
71.04993	62.1
73.02910	2.8
75.04477	3.7
77.23009	1.1
79.05492	2.2
81.03419	2.5
81.07062	3.1
83.04971	9.5
85.02905	100.0
87.04473	2.3
91.05486	3.0
93.07053	3.3
95.04968	1.5
95.08618	1.9
97.02905	4.0
97.06528	1.6
99.04437	2.2
103.03972	1.5
105.07033	4.1
107.04951	1.2
107.08595	4.2
109.02887	2.6
109.10149	1.2
111.04458	4.9
117.51678	1.1
119.08614	2.1
121.06447	1.6
121.10165	2.2
123.20721	1.0
127.03922	6.6
129.05476	40.3
131.08603	1.7
133.10182	1.8
135.11707	1.6
137.05962	1.1
139.03926	7.2
140.04240	2.6
144.06561	0.9
145.04941	8.6
145.10150	3.2
146.08160	1.2
147.06534	26.8
147.07855	1.7
147.11693	1.1
149.02431	1.1
149.09625	1.0
151.03944	1.4
158.32790	0.9
163.06046	4.7
163.07437	1.1
163.11214	1.1
164.07080	1.5
164.09212	8.4
175.11174	1.5
175.14853	1.0
187.14851	1.6
197.13306	1.4
205.16013	1.1
215.14319	1.6
221.15367	1.0
233.15352	4.0
237.07556	1.2
242.38878	1.1
251.16484	3.2
255.08667	2.5
269.17276	1.2
273.09406	1.7
287.05484	2.3
309.11768	2.2
322.60321	1.0
392.33261	1.0
448.16751	3.7
448.29843	4.8
449.19888	1.1
453.67520	1.3
473.97595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01873	3.7
55.05508	4.4
57.03426	2.6
61.41156	1.0
65.03938	6.8
65.71365	1.0
67.05504	6.4
69.03430	7.5
69.07068	9.2
69.53938	4.8
71.04998	11.9
79.05494	12.3
81.03417	4.2
81.07058	16.2
83.04980	15.3
85.02904	19.1
85.06528	3.1
86.09677	1.3
91.05476	9.4
93.03393	1.5
93.07040	18.1
95.04964	9.0
95.08598	7.6
97.02889	3.6
97.06533	17.1
98.23383	2.4
99.04453	5.4
99.08083	1.4
105.03367	1.4
105.07026	20.3
107.04958	4.9
107.08589	18.0
108.08879	1.2
109.02872	2.0
109.06515	11.2
109.10190	5.4
111.04429	2.8
111.08076	3.6
113.05988	1.7
117.07012	3.4
119.04936	6.2
119.08585	10.1
121.02868	100.0
121.06493	10.9
121.10126	7.8
123.04432	1.4
123.08068	2.6
123.11684	1.7
125.05123	1.8
125.05996	29.2
125.09651	1.8
127.03952	2.4
127.07590	5.2
128.06129	1.1
129.07021	1.9
130.07794	1.8
131.08611	6.5
133.06485	4.0
133.10144	6.8
135.04446	1.4
135.08047	2.7
135.11682	5.1
137.02324	1.2
137.05984	3.2
137.09650	1.5
139.03914	1.5
139.07539	5.0
141.05423	1.5
142.08632	2.1
143.07040	47.0
143.98361	1.1
144.09349	2.1
145.04776	1.2
145.06474	2.6
145.10124	35.4
147.08064	2.1
147.11684	6.8
149.09651	1.9
149.13313	1.6
151.03973	1.5
151.07520	5.9
155.08496	1.6
157.08615	6.5
157.09976	1.5
158.07265	1.9
159.04420	1.2
159.08015	3.2
159.11703	16.5
161.09602	1.8
161.13368	2.4
163.07515	1.7
163.11186	28.9
164.07100	1.5
165.09088	2.1
165.12767	1.4
169.10135	6.3
171.11670	2.0
173.09612	15.8
175.11176	1.4
176.07973	1.1
177.01764	2.9
177.05432	1.1
177.09119	2.3
177.12767	6.5
181.04939	4.8
181.12238	4.0
187.11182	25.4
187.14803	2.8
189.12663	2.7
191.03397	1.7
191.10690	10.9
193.04912	1.7
195.02872	1.9
197.09612	3.6
199.03925	1.1
201.70537	1.3
205.04944	4.2
205.10303	1.8
205.12228	27.0
205.15932	2.1
209.04448	6.0
209.11679	2.8
215.10683	29.3
215.14160	2.4
219.06535	2.6
221.04349	1.9
223.13269	6.3
229.04939	1.8
233.04440	4.9
233.11736	36.1
233.15268	11.9
247.05974	4.9
251.05528	4.5
251.12787	26.0
251.16408	13.2
252.13191	1.5
263.05472	3.3
268.19733	1.1
269.13849	25.0
269.16953	2.5
275.05545	6.3
287.05478	3.1
293.06476	5.3
303.04993	26.6
448.12805	1.4
448.25256	2.2
449.17407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63677	0.5
53.03957	1.2
55.01872	0.5
55.05513	2.1
55.83968	0.5
57.03440	9.1
59.05006	0.8
61.02932	1.0
69.03441	2.7
70.93455	0.4
71.01357	0.7
71.04996	70.7
72.05335	0.7
73.02921	1.9
75.04479	4.1
76.01278	0.4
77.21409	0.4
79.05505	0.7
80.45987	0.4
81.03416	1.4
81.07045	0.5
81.30747	0.4
83.04524	0.8
83.04985	8.8
85.02908	100.0
86.03255	0.5
86.06033	0.6
87.04481	2.1
89.07413	0.4
91.03964	0.8
91.05485	0.8
93.07066	0.5
95.08618	0.5
97.02904	4.1
99.04474	2.1
101.06059	0.7
103.03949	1.4
105.07050	2.6
107.08590	2.3
109.02887	1.6
110.06070	0.9
111.04465	3.9
127.03928	5.9
129.05484	44.7
130.05774	0.9
135.08040	1.7
138.92424	0.5
139.03929	2.5
140.04234	1.5
145.04976	6.5
146.08099	0.8
147.06528	27.9
151.03905	0.6
163.05980	3.5
163.07484	1.4
164.09195	7.9
165.07596	0.9
171.06497	0.7
187.14783	0.6
209.04388	0.6
211.04982	0.9
225.07576	0.6
233.11700	0.7
233.15291	1.6
237.07504	0.7
255.08762	2.5
255.12277	2.2
273.09564	1.6
285.13107	1.0
302.15878	0.9
309.11673	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	448.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
55.05506	8.4
65.03941	3.3
67.05502	18.2
68.86623	2.9
69.03436	7.0
69.07067	5.7
69.31958	13.4
71.04985	9.2
73.71072	2.6
79.05502	9.9
81.03425	5.3
81.07052	40.3
83.04984	3.5
84.03117	3.4
85.02910	18.4
85.06528	4.3
86.19260	2.8
91.05483	7.9
92.05009	13.4
93.07030	17.1
95.04955	13.3
95.08033	4.3
95.08612	46.2
97.02891	6.2
97.06526	5.2
105.07010	14.9
107.08598	23.5
109.06513	7.1
109.10155	6.9
111.08092	5.0
119.08542	16.6
120.03595	5.1
120.04465	100.0
121.04790	3.6
121.10159	14.4
123.08067	16.3
123.11713	3.7
125.09650	4.1
127.03919	3.7
131.08546	8.8
133.10118	22.5
135.08025	7.8
135.11682	10.0
137.09663	4.1
143.10689	8.1
145.04955	3.7
145.10085	14.7
147.11700	9.1
149.09656	4.9
151.07523	41.5
151.11110	5.0
153.09041	2.8
158.11792	4.2
159.11676	16.1
161.13350	5.7
173.13206	6.0
187.14835	15.0
205.15877	13.3
215.14328	11.9
233.15341	50.2
251.16435	61.2
252.17020	4.8
275.33405	3.0
277.18985	3.2
291.67050	3.1
303.04996	10.8
448.11356	3.9
448.29321	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	448.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01884	1.9
55.05505	7.5
56.25183	1.9
57.03445	4.2
57.07058	1.8
63.94032	1.6
67.05505	4.1
69.03431	6.7
69.07063	8.9
71.05000	2.6
71.45843	1.8
73.66537	2.0
79.05482	7.5
81.03420	5.1
81.07056	19.7
83.04971	3.8
83.08623	3.3
85.02460	2.0
85.02921	15.0
85.06557	2.5
91.05441	10.1
93.07047	19.1
95.04997	3.4
95.08604	25.9
97.02883	4.3
97.06533	4.0
99.08081	3.8
105.07033	19.3
107.08598	29.1
109.06503	4.0
109.10154	5.0
111.04480	10.0
111.08107	3.1
117.06996	3.5
119.08606	15.7
121.10155	22.1
123.04375	2.0
123.08070	2.4
127.03909	4.2
131.08592	17.4
133.10124	15.1
135.08040	5.7
135.11710	13.2
137.09662	3.4
139.03906	42.3
143.08606	2.7
145.10118	32.8
147.08064	3.1
147.11700	19.7
149.02403	1.8
149.06012	2.4
149.09589	10.0
149.13414	3.3
153.09119	2.7
155.08614	2.9
157.10144	2.8
159.07991	3.0
159.11705	24.4
161.13254	5.2
163.03983	2.0
163.07552	6.9
163.11186	8.6
163.14807	1.9
171.11726	2.7
173.09753	2.4
173.13286	2.7
175.14854	3.2
177.09140	4.9
177.12749	7.1
177.16389	17.1
180.08653	3.9
187.14815	56.6
188.15193	3.8
189.16316	4.4
197.13216	2.6
201.16426	2.8
205.15878	100.0
206.16252	5.2
215.14316	13.1
219.17393	3.7
220.82356	2.0
221.15239	2.9
223.16953	32.9
223.92683	1.9
233.15363	41.3
234.15683	3.4
251.16412	41.3
252.16718	3.1
269.17459	35.6
286.19931	3.0
321.13718	1.9
449.16080	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	448.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64093	2.8
55.05512	9.6
57.03433	6.4
67.05502	19.1
67.05815	3.4
69.03427	13.0
69.07070	9.7
71.04984	11.1
79.05490	15.5
81.03426	5.2
81.07053	59.0
83.04987	7.3
83.08608	5.4
85.02912	26.3
85.06544	4.0
87.04413	4.8
91.05498	9.4
93.07038	32.9
95.04983	8.2
95.08607	66.2
97.02899	8.4
97.06538	12.2
98.06097	3.2
99.08104	5.1
105.07040	31.0
107.08611	32.2
109.02925	3.7
109.06528	12.5
109.10140	17.5
111.08116	11.3
113.09769	3.4
117.07017	7.0
119.08594	22.6
121.06492	5.7
121.10159	23.0
123.08073	20.9
123.11711	13.4
125.09648	6.7
127.03916	6.5
127.11216	6.9
131.08607	12.8
133.10117	18.5
135.08057	13.7
135.11667	18.3
137.09604	4.0
139.07576	4.0
141.09099	5.3
143.10693	8.6
145.10139	22.8
147.11676	32.7
149.09615	4.4
149.13258	7.4
151.07547	56.0
151.11150	6.8
157.08612	35.8
157.09969	5.7
158.11768	8.2
159.11641	24.1
160.09669	4.4
161.13290	8.7
169.08623	5.5
173.13271	10.9
175.11319	3.9
177.12733	8.4
183.10207	7.9
183.13849	4.2
187.14833	22.2
189.16417	4.1
205.15912	15.1
215.14359	14.4
215.17911	7.4
233.15356	69.3
233.19043	11.3
234.15553	3.5
251.16422	100.0
252.16785	4.6
287.03522	3.9
287.12570	10.6
303.04941	24.1
449.17651	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	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.8
57.03448	7.1
63.30558	3.7
65.03944	5.7
67.05506	28.3
69.03430	6.5
69.07070	10.8
69.37460	14.5
71.04993	13.4
72.08173	4.4
79.05497	19.8
81.03418	7.3
81.07053	67.8
84.24258	3.6
85.02898	26.6
85.06538	7.3
87.04468	5.7
91.05484	11.0
92.05019	9.9
93.07021	28.2
95.04977	14.6
95.08607	78.2
97.02908	8.6
97.06532	16.6
97.10147	4.1
98.06030	5.7
99.04472	6.9
99.08053	5.5
103.59228	3.5
105.06998	26.5
107.08582	41.8
109.02895	5.8
109.06519	15.6
109.10146	14.2
111.08067	5.6
117.07008	5.9
119.08575	23.9
120.04458	67.2
121.02824	5.0
121.10156	22.0
123.08044	30.3
123.11762	5.2
125.09608	13.0
127.03928	6.3
131.08580	10.8
133.10121	23.0
134.99030	4.1
135.08055	16.9
135.11697	14.3
137.09613	8.1
141.09172	4.9
143.10622	9.4
145.10118	27.5
147.11687	22.2
151.07536	60.8
151.11215	11.7
153.09113	5.0
157.10146	7.7
158.11806	11.7
159.08083	4.4
159.11728	20.7
161.13243	10.3
163.11211	8.5
165.12784	8.3
165.49797	3.8
173.09668	5.3
173.13210	10.4
175.11159	4.2
177.12663	4.5
187.14821	27.1
201.16391	5.4
201.78131	4.0
205.15840	26.5
210.10172	4.0
215.14320	16.9
233.15353	95.5
251.16417	100.0
252.16641	5.9
269.12805	7.7
287.13770	5.9
303.04999	25.6
448.28488	6.4
449.22260	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	448.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.4
57.07073	7.5
58.06596	1.8
62.70908	0.3
67.05474	0.9
69.37868	0.5
69.38275	1.2
70.06592	14.9
71.08627	2.9
76.03128	0.5
79.05483	0.6
81.07023	0.7
85.10165	0.5
88.07629	20.2
91.05486	1.9
93.06986	0.7
95.08598	0.4
96.37981	0.3
98.22722	0.4
102.09182	14.2
104.02585	5.6
107.08566	0.5
110.41893	0.3
115.78808	0.3
118.04133	0.6
119.04922	1.8
119.06084	0.6
132.02069	7.3
136.00581	0.4
136.01541	2.0
147.04408	25.2
148.04063	0.5
148.05186	7.1
149.02295	1.0
175.03908	41.3
176.04533	2.1
180.04170	4.3
187.14975	0.4
191.07021	2.3
193.04945	1.5
212.23720	0.4
219.06516	74.8
220.06796	2.2
231.69760	0.3
243.00262	0.3
250.97435	0.3
256.26343	42.7
257.26700	1.5
299.06396	0.3
358.27814	0.4
420.13144	0.4
448.30576	100.0
449.30933	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	448.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63673	20.2
69.50204	54.9
69.50608	46.6
82.60233	22.4
98.22731	25.4
98.23286	59.7
107.63821	22.0
137.05934	100.0
177.22609	22.1
243.57014	20.6
271.23022	20.2
349.40131	22.2
448.30203	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02666	0.7
52.39095	0.7
54.38665	0.7
55.01870	1.3
55.05515	8.4
56.89062	0.8
57.07058	1.3
66.96366	0.6
67.05493	3.4
69.07069	8.5
69.15518	1.4
69.15928	2.7
70.06586	1.9
75.53683	0.6
79.05466	1.1
81.07071	3.5
83.08630	4.4
86.06059	2.2
87.04469	6.3
88.07619	1.8
91.05494	1.9
93.07038	1.5
95.08604	6.3
97.10161	2.3
97.40742	0.8
98.23465	1.3
102.09175	1.7
104.07101	14.0
107.08568	0.9
109.10139	1.2
111.11784	0.9
115.04025	0.7
115.16698	0.7
121.06512	2.4
123.04436	3.0
123.08051	5.6
133.06485	1.5
137.05972	6.2
147.04410	3.5
147.08014	0.8
148.05170	1.0
149.05977	20.8
151.07541	100.0
152.07858	2.4
160.21729	0.7
163.07559	4.7
165.09117	8.8
175.03926	2.7
177.07568	0.8
177.09109	13.0
183.49591	0.7
191.07072	1.5
191.10664	18.8
205.12245	4.6
219.06549	5.8
219.13766	1.7
221.15410	1.2
233.15396	1.4
247.16913	2.6
254.92235	1.0
256.26318	2.8
261.18469	3.0
275.20071	1.1
289.21545	1.0
317.24771	4.4
331.26175	2.5
345.27850	32.2
346.28381	1.4
387.32611	8.0
389.16385	1.2
439.73563	0.7
448.29849	5.4
449.24612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03948	0.8
55.01863	0.7
55.05497	0.3
57.03427	1.2
61.02931	2.1
65.03903	0.3
67.05489	0.3
68.99789	1.0
69.03431	4.4
69.14344	0.9
71.04986	0.8
73.02881	0.5
79.05464	0.5
81.02965	0.2
81.03417	2.8
81.03876	0.2
81.07059	1.0
83.01318	0.2
83.04970	0.3
83.08601	0.2
85.02905	11.5
85.06497	0.2
87.00822	0.2
87.04433	0.5
91.03969	0.8
91.05456	0.6
93.07012	0.7
95.04942	0.4
95.08582	0.5
97.02894	3.9
99.04475	0.7
105.01843	0.2
105.03379	0.4
105.04472	0.2
105.07016	0.5
107.04959	0.7
107.08572	0.7
109.02881	1.6
109.10114	0.2
111.00797	1.1
111.04448	0.2
111.07977	0.1
111.33662	0.2
115.03907	0.2
119.08569	0.4
120.04479	1.3
120.08898	0.1
121.02867	3.9
121.04769	0.5
121.06496	0.2
121.10145	0.8
123.11679	0.2
127.03902	2.2
129.06963	0.3
131.08501	0.4
133.02823	0.7
133.10110	0.4
135.04379	0.4
137.02306	0.9
141.06955	0.2
144.05099	0.1
145.04930	2.0
145.06425	0.3
145.10045	0.3
147.04399	0.8
147.11742	0.2
149.09554	0.3
151.11218	0.2
153.01816	5.0
157.06500	0.5
159.11639	0.4
161.05971	0.2
165.01840	2.0
171.04407	0.2
173.13271	0.2
183.02957	1.0
185.05980	0.5
193.12251	0.3
194.12358	0.2
203.07043	0.3
213.05469	1.9
229.04929	0.2
231.06514	0.7
241.04915	1.2
243.06294	0.2
243.15947	0.7
244.16975	0.2
258.05215	1.3
259.05969	0.6
269.04514	0.3
269.17300	0.4
287.05484	100.0
288.02673	0.3
288.05826	4.9
303.05054	0.3
340.57465	0.2
448.29910	0.2
449.17828	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	449.1077
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03435	4.9
69.25426	1.6
69.25829	2.5
71.04992	30.5
73.02912	0.8
79.58824	0.6
85.02903	29.2
97.00408	0.7
111.00815	1.2
113.57641	0.7
129.05450	7.4
137.02336	2.4
147.06508	1.3
153.01794	3.1
165.01828	1.7
182.71649	0.6
201.05525	1.0
229.04941	4.0
234.31596	0.6
236.72531	0.6
247.05922	0.9
257.04468	2.0
285.03864	1.3
287.05405	1.1
303.04974	100.0
304.05313	3.8
315.04648	0.7
398.77899	0.7
439.06186	0.7
455.50516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03942	0.4
54.93116	0.4
55.01860	0.5
55.05502	0.8
57.03426	1.9
60.75640	0.4
65.03937	4.5
67.05502	0.8
68.99810	0.4
69.03413	0.8
71.04994	7.5
73.02908	1.7
79.05477	1.3
81.07065	0.8
85.02905	10.0
91.05476	1.1
93.03379	0.4
93.07047	1.0
95.04954	1.2
95.08596	0.9
97.02896	0.9
98.23602	0.9
101.54782	0.4
103.03934	1.1
105.07030	1.2
107.04951	0.6
107.08589	1.0
109.02843	0.6
111.04445	3.1
115.03916	0.4
119.08579	0.6
121.02861	100.0
121.03905	4.6
121.10144	0.7
122.03207	2.1
123.04449	0.8
127.03800	0.5
129.05481	1.3
131.01932	0.4
131.04890	0.9
131.08560	0.5
133.02831	0.9
133.10141	0.6
135.04401	1.2
137.02350	1.2
137.09586	0.9
138.03122	0.8
138.09946	0.6
139.03915	1.4
145.10139	0.6
147.04422	0.6
150.03090	1.4
151.03889	0.7
153.01785	0.9
153.05415	0.4
159.04369	1.1
159.11777	0.6
163.03917	0.8
163.07549	0.8
166.02600	0.6
171.04390	0.5
175.03932	1.0
175.07678	0.5
177.01843	2.1
177.05426	0.7
179.03415	1.3
181.04956	8.7
187.03926	1.2
191.03416	1.4
191.07091	0.5
193.04994	1.2
194.02161	0.7
195.02814	1.1
197.04495	0.7
199.03918	0.4
201.05463	0.5
204.04114	0.5
205.04945	2.6
209.04437	6.7
215.03400	1.0
218.02002	0.5
219.02965	0.7
219.06502	1.0
221.04448	2.2
223.05956	2.0
229.04990	1.6
233.04456	2.0
234.15627	0.6
243.03093	0.4
247.06058	2.7
249.03925	0.5
251.05536	1.8
257.04498	1.5
260.03140	1.3
263.05377	2.1
269.17456	1.2
274.04529	0.5
275.05515	7.1
287.05365	0.9
293.06638	3.7
302.04239	0.6
303.04977	22.8
304.05209	1.0
311.07532	1.1
317.06494	5.8
317.09857	0.6
449.13733	0.7
449.30927	1.4
470.94110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1422
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
55.01881	0.5
56.96571	2.0
58.17601	0.4
67.05508	0.4
69.03429	0.6
73.02911	0.9
79.05498	0.7
81.07036	0.9
85.02895	1.8
85.06535	0.4
91.05476	0.6
93.07047	0.5
97.02883	1.1
98.97563	1.8
105.06998	0.6
107.04959	0.8
107.08582	0.6
109.06530	0.3
110.97577	0.4
115.00674	0.4
115.03908	0.8
116.98652	1.1
121.06513	3.3
121.10173	0.3
127.00637	0.6
128.98602	0.9
130.13065	0.3
133.10001	0.4
137.05980	3.7
138.06331	1.2
139.03909	0.5
139.07538	0.4
143.08545	0.4
145.01727	0.6
145.04851	0.4
147.03256	0.6
149.06030	0.4
150.09908	0.7
155.08141	1.3
163.02782	0.4
163.07498	1.6
164.07887	0.6
167.07060	0.9
169.10033	0.3
170.99628	0.4
171.06483	1.1
173.92520	0.4
175.04057	0.4
175.06348	0.5
181.04964	12.0
185.04289	0.7
189.09093	1.3
190.09456	1.2
191.10657	1.2
192.11011	1.2
199.06367	0.3
215.10683	1.5
216.10995	2.8
219.01772	1.1
227.09621	0.9
233.11885	1.8
234.12080	2.0
237.02887	2.5
245.10580	1.4
251.12744	1.0
252.13132	1.2
269.10797	0.8
269.13876	2.1
270.14175	3.2
287.05762	0.5
287.08871	7.6
287.11636	0.3
355.06888	0.3
389.14798	4.5
405.15253	1.9
407.15866	1.2
449.14114	100.0
450.14526	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	449.1784
Annotation	Dichotosin
Peak:m/z	Relative Intensity
67.05499	1.3
69.03433	1.0
69.07072	0.9
69.25629	4.4
79.05490	0.8
81.03427	1.5
81.07053	1.7
85.02890	2.5
87.00829	0.7
91.05499	1.4
93.07034	1.2
95.08605	1.9
97.02850	1.1
100.11272	0.9
105.06992	1.6
106.35662	0.7
107.08587	1.3
109.02875	0.8
111.04467	2.2
119.08575	1.3
121.10153	1.3
131.08597	1.0
133.10138	1.3
145.10135	1.2
156.09560	0.8
157.10158	0.8
159.11691	1.0
171.95473	0.8
201.16420	1.3
232.06310	0.8
251.26807	0.8
287.12540	100.0
288.12787	4.6
303.04974	3.7
449.17749	61.9
450.18127	2.1
465.70450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1785
Annotation	Dichotosin
Peak:m/z	Relative Intensity
53.03915	0.8
55.01836	1.1
55.05470	0.6
57.03401	0.7
57.66891	0.5
61.02870	6.5
61.03203	1.1
62.51866	0.4
67.01808	0.5
67.05437	1.2
68.99757	0.7
69.03059	0.4
69.03421	3.5
69.07028	1.1
70.65772	0.7
71.04945	0.5
71.62630	0.4
73.02913	2.6
79.05464	0.9
81.03355	1.7
81.07002	1.9
83.04960	0.5
83.08591	0.4
85.02905	11.8
87.00815	2.2
91.03961	3.1
91.05421	1.9
93.07036	4.0
95.04938	1.1
95.08548	1.8
97.02889	6.3
98.97543	1.1
99.04388	1.1
105.01865	3.3
105.06971	1.9
107.04886	0.8
107.08584	3.9
107.29591	0.5
109.02875	2.4
109.06470	0.5
109.10145	1.0
111.00761	1.1
111.04376	0.5
113.05951	0.9
116.98535	0.5
117.06957	0.5
119.08510	1.0
121.02853	2.9
121.10126	3.9
123.11662	0.5
126.09113	0.6
127.03056	0.5
127.03905	4.6
131.08528	1.1
133.02786	1.0
137.02255	1.3
137.05962	1.0
139.03850	0.7
143.08524	0.5
145.04895	1.9
145.10078	0.8
147.04372	0.7
147.07982	0.5
147.11674	0.5
149.05914	0.5
149.09573	1.3
149.13268	2.5
153.01836	4.8
159.02852	0.9
159.11618	0.8
161.13211	0.7
163.07515	1.0
165.01788	1.6
165.05499	0.6
167.10631	1.5
175.14847	0.4
177.05441	0.5
177.09152	0.6
181.04909	0.7
183.02856	1.2
183.06848	0.7
185.04196	0.9
193.04915	0.5
201.07857	0.5
207.10153	0.8
213.05455	1.7
217.15912	0.6
231.04730	0.7
231.06700	0.9
233.15198	0.6
234.15645	0.9
235.16714	0.5
237.02834	0.5
241.04961	1.1
249.05963	0.7
251.16359	0.6
258.05237	1.3
259.05777	0.6
269.17514	2.3
287.05499	100.0
287.12488	52.7
288.05838	6.7
288.12875	1.5
389.14847	1.5
400.01270	0.5
407.15436	0.5
411.30417	0.4
449.17828	82.8
449.30911	2.0
450.18134	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1785
Annotation	2,3,4,5,2',3',4',6'-Octamethoxychalcone
Peak:m/z	Relative Intensity
52.00642	0.4
57.03414	0.5
57.59536	0.3
59.31013	0.3
59.34123	0.3
67.05508	0.5
69.03430	0.5
69.07048	0.7
71.04979	1.3
71.44814	0.4
79.05511	0.6
81.03419	0.6
81.07063	1.1
83.04993	0.6
85.02912	2.2
91.05486	1.1
93.07043	1.0
95.04924	0.4
95.08624	0.9
105.07019	0.9
107.08588	1.0
109.02879	0.4
109.10124	0.8
111.04446	0.8
119.08574	0.5
121.10152	0.6
126.15752	0.4
127.03902	0.6
127.59426	0.4
129.05490	0.4
131.08545	0.5
133.10124	0.6
135.11742	0.5
137.02307	0.5
137.05948	0.4
139.03899	0.6
145.10139	0.9
149.13342	0.3
153.01881	0.4
157.10165	0.6
161.09604	0.5
161.13303	0.4
165.09052	0.4
177.09232	0.4
185.04280	0.6
189.16347	0.6
201.16225	0.5
228.07553	0.4
235.16948	0.8
251.12869	0.7
251.16391	0.5
252.16748	0.6
253.17963	0.5
257.11481	0.9
273.10745	0.5
287.05276	0.6
287.12488	1.4
287.15210	0.9
303.05023	3.8
338.13379	1.0
339.14215	2.5
389.15750	1.5
434.15494	2.8
440.43893	0.4
449.17825	100.0
450.18149	6.7
474.01709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60067	1.5
91.05485	1.5
98.23386	1.0
115.05469	0.8
117.05779	1.5
117.07025	0.9
118.06551	20.4
130.06523	1.6
132.08096	6.7
142.06517	2.5
143.07289	3.6
144.08067	13.1
146.06003	65.3
147.06271	1.2
156.71754	0.9
159.09189	5.6
160.07573	1.1
170.06035	4.0
179.80753	0.7
188.07063	100.0
189.07399	2.7
189.12331	0.9
205.09724	41.3
206.10124	1.7
227.09184	1.3
332.97916	0.7
333.02112	1.0
391.81042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2379
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.03945	0.8
55.01864	4.4
55.05517	0.6
57.03438	10.6
57.07070	1.3
59.05000	0.9
61.02921	5.9
67.05519	3.5
69.03430	17.8
69.07062	1.2
71.01355	2.1
71.04993	1.4
71.08593	0.6
73.02916	20.1
75.81033	0.5
75.87397	0.5
79.05496	4.8
79.54047	0.5
81.03421	3.3
81.07056	100.0
82.07399	1.7
85.02905	51.2
86.03262	0.9
87.04487	2.9
91.03966	1.9
93.07037	0.9
95.05000	0.5
95.08604	10.2
97.02892	29.3
99.04465	2.3
103.03959	1.4
105.06987	0.7
109.02878	3.8
109.10152	1.5
115.03931	11.9
127.03909	12.7
133.04968	23.1
137.13251	96.6
138.13594	2.7
145.04950	19.7
145.10150	1.2
146.05263	0.8
153.03139	0.8
155.08603	0.7
159.11723	0.7
163.06013	8.8
187.14804	1.0
191.24149	0.6
193.05000	0.8
199.06018	1.0
217.07074	0.8
223.05969	1.9
226.36137	0.5
239.01390	0.5
241.07143	2.6
259.08084	3.2
277.09082	0.9
295.10284	0.9
317.19501	0.9
449.16498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01876	1.1
55.05514	0.9
56.22272	0.4
57.03435	15.1
57.07076	1.3
59.05005	4.2
61.02929	2.8
62.40450	0.4
67.05496	3.4
69.03428	52.7
69.07056	0.6
69.17441	2.7
70.03761	0.6
71.01352	1.0
71.04994	0.9
73.02917	3.8
75.04474	1.0
79.05491	4.2
81.03423	4.1
81.07055	100.0
82.07389	1.6
83.04980	0.7
85.02901	48.7
87.04464	34.7
91.03930	0.8
93.07056	0.7
95.04974	0.6
95.08602	9.3
97.02889	42.4
98.03252	0.5
99.04459	3.1
103.03947	2.1
109.02886	3.1
111.04426	0.5
113.02322	0.4
115.03927	50.0
116.04247	1.0
117.05442	0.6
119.08573	0.6
123.04408	0.8
127.03922	7.7
133.04962	59.8
134.05260	1.2
137.13246	86.1
138.13567	2.9
139.03880	0.6
139.10561	0.5
139.85719	0.5
145.04955	12.8
161.04430	1.2
163.06006	5.3
169.04968	2.4
187.06012	1.0
199.06024	0.6
205.07086	0.9
223.05937	1.0
229.06917	0.5
229.63672	0.5
241.06970	2.0
259.08072	4.0
277.09247	3.9
295.10150	3.4
317.19559	0.9
335.36606	0.4
449.16467	0.9
472.51172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2382
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
53.03962	0.6
54.06926	0.3
55.01863	1.1
55.05510	5.3
55.92692	0.3
56.23097	0.4
56.96566	0.8
57.03182	0.6
57.03440	7.5
57.07074	0.8
61.02921	1.3
65.03946	0.5
67.05505	24.4
68.05817	0.5
69.03422	1.4
69.06712	0.6
69.07069	8.9
70.06537	0.3
71.04996	2.6
73.02917	0.9
79.05495	12.8
79.05952	0.7
80.05840	0.3
81.03436	1.7
81.07056	33.0
82.07369	0.4
83.04975	3.7
83.08137	0.4
83.08623	6.9
84.96053	0.4
85.02911	2.6
85.06544	2.3
91.03954	1.3
91.05477	7.1
93.07043	23.2
94.07381	0.5
95.04966	2.0
95.08607	8.0
97.02892	1.0
97.06536	5.3
97.10161	0.8
98.97598	1.2
99.08100	1.7
105.04517	0.6
105.07029	2.5
107.08595	12.7
109.02877	0.5
109.06549	1.6
109.10175	1.7
111.08082	3.7
113.09644	0.8
116.98613	0.9
117.07008	3.6
119.08578	1.8
121.06525	0.9
121.10146	8.8
123.08036	0.5
123.11708	1.0
125.09632	0.4
127.03934	1.4
128.98621	0.4
129.07007	0.5
131.08568	4.3
133.10136	3.5
135.04387	0.7
135.08035	0.7
135.11703	3.6
143.08475	0.4
145.04961	0.5
145.10054	0.6
147.11687	1.3
149.09714	0.4
149.13255	19.1
150.13506	0.7
157.10117	0.4
158.99609	0.4
159.11699	7.3
167.14317	0.5
167.44540	0.4
173.13373	0.3
177.00745	0.4
177.12746	3.9
195.13808	8.1
197.01154	0.6
199.14790	0.4
201.16406	0.9
213.14830	1.3
219.01801	0.5
237.02771	1.0
269.17468	100.0
270.17792	4.2
283.90781	0.3
287.12463	2.7
295.52164	0.4
303.04907	1.6
311.18671	0.4
352.26129	0.4
407.10153	1.8
413.21622	0.6
425.10913	0.4
431.22525	1.3
449.11890	0.3
449.17105	1.0
449.21869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2384
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
55.01870	1.2
55.05505	3.8
57.03444	3.6
59.04998	1.2
61.02919	2.4
67.05502	4.1
69.03429	8.9
69.07070	3.1
69.54427	1.2
69.54813	1.4
70.33964	0.7
71.01354	1.2
71.04994	3.3
73.02923	1.3
79.05495	2.1
81.03415	3.5
81.07054	3.7
83.04981	9.1
83.08601	1.6
85.02908	15.3
85.06556	1.0
87.04450	2.0
91.03922	0.9
91.05466	1.4
93.07035	3.3
95.04980	4.7
95.08598	6.3
95.98173	0.8
97.02897	5.9
97.06532	7.5
98.97620	1.1
99.04462	8.7
99.08071	1.4
105.07037	2.8
107.08608	6.3
109.02854	2.0
109.06527	8.3
109.10157	6.8
111.08100	2.9
113.05992	1.3
115.07588	1.2
119.08579	1.6
121.06487	0.8
121.10114	1.8
123.08044	3.2
123.11714	1.7
125.06006	2.4
125.09623	2.1
127.03933	2.8
127.07555	1.7
127.11155	0.7
131.08560	1.2
133.10146	2.5
135.08073	2.5
135.11687	1.4
137.05954	0.9
137.09590	3.6
139.03897	1.4
139.07544	15.4
141.09116	1.6
143.07027	2.3
145.04933	1.2
149.09625	2.4
150.97466	0.8
151.11214	2.6
153.09114	3.0
155.10645	2.3
159.11778	1.0
163.11214	0.9
167.10686	3.3
173.13385	0.9
177.12794	1.1
179.09373	0.6
179.10590	3.5
180.97816	1.0
189.12767	0.9
191.14331	2.0
195.10324	0.9
197.11707	1.7
207.13795	1.4
209.15469	1.3
215.14383	0.7
233.15407	2.3
251.16415	9.2
269.17426	4.6
287.18591	6.2
288.18713	0.9
318.24329	0.7
329.01694	0.8
449.23819	100.0
449.71988	0.8
450.24133	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	449.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
59.36869	0.6
65.03935	1.8
67.05504	25.7
69.07064	2.5
69.23501	2.7
79.05482	7.3
79.76622	0.6
81.07056	22.1
83.01341	2.2
83.08630	1.8
84.47652	0.6
86.45670	0.7
91.05473	2.8
93.07028	2.3
95.04960	0.9
95.08607	18.7
97.06545	0.8
97.10177	0.9
98.22701	1.5
100.19266	0.7
105.07038	0.8
107.04942	0.8
107.08589	1.5
109.06503	3.6
109.10152	7.5
117.07025	0.7
121.06503	0.9
121.10139	1.5
123.08102	1.1
123.11693	2.4
125.05997	2.3
135.08025	1.5
137.05977	100.0
138.06323	1.9
139.59155	0.6
149.09630	1.8
151.07556	14.9
163.07535	18.6
165.09067	0.7
175.07466	0.6
177.09106	32.3
178.09416	0.7
191.10646	7.0
205.12212	0.9
233.15340	0.8
247.17082	1.1
329.24710	16.4
330.25037	1.4
347.25699	5.2
389.26862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.9
53.03938	0.4
54.69611	0.4
55.01873	0.5
56.05027	1.5
56.80197	0.4
57.03428	0.9
61.02913	1.2
65.03934	1.6
68.99790	1.3
69.03437	2.8
69.63101	0.3
70.06575	0.4
70.23884	0.9
70.39155	0.3
71.05013	0.4
74.06079	18.5
79.05478	0.4
81.03410	1.1
83.04986	0.8
85.02905	13.9
87.04465	0.4
91.03952	0.5
91.05480	19.8
95.04952	0.6
97.02339	0.6
97.02898	7.3
98.06038	1.1
99.04437	0.5
102.05555	3.1
107.04939	0.5
109.02857	1.8
111.00800	2.7
111.04454	0.9
115.03900	0.9
116.07093	7.0
120.06580	13.6
121.02862	2.1
123.04416	1.1
127.03916	4.7
133.02821	1.7
133.06412	0.5
135.04396	1.1
139.03896	100.0
140.04242	1.5
143.03320	0.5
144.06549	6.5
145.04956	6.5
149.05923	0.9
151.02786	0.7
151.03894	5.8
159.04462	0.4
161.04543	0.5
161.06017	0.9
162.07620	14.5
162.09000	0.7
163.03905	13.8
163.05974	2.8
164.04474	0.6
167.07094	0.4
169.04976	2.8
169.06334	0.6
171.08134	0.6
177.05501	0.9
179.07007	2.7
181.04947	0.8
199.14853	0.5
205.04945	5.4
217.08629	1.0
217.15935	0.5
235.16858	0.4
243.06442	0.5
253.10658	1.1
271.05975	1.0
289.07040	35.0
290.07407	1.3
312.10706	2.2
325.11057	0.6
329.97134	0.4
432.13040	0.6
450.14020	0.4
450.20078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01199	0.6
53.03939	1.1
55.01871	1.7
56.05028	0.7
57.03434	4.5
61.02931	5.8
65.03942	3.0
68.34667	0.5
68.99776	1.3
69.03429	10.7
70.06618	0.8
71.05005	1.8
71.60925	0.5
73.02896	3.3
74.06079	10.9
81.03422	4.7
81.07061	1.2
84.04496	0.7
84.08153	0.6
85.02906	65.6
85.06541	1.9
87.04491	1.5
91.03969	3.6
91.05481	100.0
92.05802	1.9
93.07078	0.8
95.08589	1.4
97.02893	34.6
98.06052	0.9
98.22615	0.9
99.04477	2.7
102.05544	2.0
103.03964	1.3
105.07043	2.3
107.04980	0.7
107.08593	0.8
109.02879	5.3
111.00797	1.4
111.04469	0.8
115.03955	5.5
116.07108	3.2
117.07030	1.9
117.72845	0.6
119.04902	0.7
119.08574	1.5
120.06608	8.8
121.02888	0.9
121.06498	1.0
121.10168	0.9
123.04470	0.8
124.07604	1.3
126.21272	0.6
127.03917	17.2
129.07016	0.9
130.15932	1.0
133.02829	1.4
133.06526	2.1
133.10104	1.2
137.02373	0.9
139.03902	54.9
140.04250	1.4
143.03429	1.3
143.08586	0.9
144.06546	4.0
145.04959	32.9
145.06332	1.1
147.04420	1.4
147.08083	0.7
147.11702	1.1
149.05997	0.8
151.03935	3.6
153.01826	1.2
153.06990	0.9
155.03372	0.7
157.06537	1.7
157.10170	0.7
159.04443	0.7
159.11723	1.1
161.04526	3.3
161.05759	0.8
162.07613	8.6
163.03917	7.5
163.06004	13.8
167.07008	2.7
169.04996	1.8
171.08052	1.2
173.13304	0.6
175.07529	1.2
175.14896	0.6
177.05501	1.6
179.07076	1.6
181.05029	1.0
189.05476	0.8
199.07611	1.2
205.04942	3.6
217.08604	3.8
217.15871	4.0
235.06029	0.9
235.09659	2.4
235.16882	2.5
253.10794	4.2
253.14297	1.3
253.17897	1.4
270.13284	0.8
271.08273	0.7
271.11682	1.1
271.19266	0.6
287.05536	0.7
288.06006	0.9
288.14133	1.4
289.07053	22.9
289.39783	0.6
290.07660	1.0
312.10895	0.7
325.11261	1.7
450.13556	0.8
450.19287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22379	0.5
52.46352	0.5
53.03942	1.3
55.01875	1.8
55.05494	0.4
57.03439	5.3
57.29203	0.5
61.02928	8.3
65.03944	1.5
67.05518	0.5
69.03428	15.7
69.03806	1.0
69.12646	3.2
70.42503	0.5
71.01367	0.8
71.04995	1.9
73.02918	4.0
79.05497	0.5
81.03408	5.5
81.07048	1.1
83.01360	0.6
85.02904	100.0
85.10728	0.5
86.03230	1.2
87.04475	1.8
91.03964	5.1
91.05479	86.1
92.05807	1.5
93.07047	0.6
97.02892	39.9
98.03214	0.6
98.22735	1.3
99.04457	2.8
101.02384	0.6
103.03961	1.0
105.07042	1.8
107.04939	1.0
109.02876	8.0
111.04433	0.8
115.03936	4.7
117.07018	1.3
119.08569	0.9
123.26037	0.5
127.03913	24.3
129.07019	0.8
131.08655	0.6
133.06480	1.3
139.03912	2.0
143.08578	1.0
145.04955	49.6
145.10193	0.8
149.06030	0.6
151.04192	0.5
157.06517	1.0
161.04463	2.2
161.05859	0.6
163.06018	22.9
165.05457	0.5
167.07040	2.2
171.08041	1.3
175.07570	1.2
180.08714	0.7
182.05342	0.6
187.07608	0.5
191.06966	1.6
193.08626	0.7
217.08623	5.1
217.15906	1.2
233.50110	0.5
235.09596	6.1
235.16841	1.0
245.10161	0.5
253.10695	4.0
253.17963	0.6
271.08200	0.6
271.11737	2.1
286.33273	0.5
289.09351	1.0
325.11197	2.5
328.11917	0.5
337.97366	0.5
342.86731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01875	1.7
57.03436	3.7
61.02927	8.7
65.03947	1.7
69.03429	13.5
70.94631	1.2
71.04983	1.8
73.02921	2.5
81.03424	5.6
85.02905	100.0
87.04470	2.2
87.17146	0.7
91.03970	5.9
91.05481	86.8
92.05801	0.9
97.02896	37.5
99.04462	3.0
103.03976	1.5
109.02882	8.2
115.03894	4.4
115.05408	0.7
127.03918	22.9
128.04338	0.7
129.06990	1.2
133.06487	1.8
139.03949	1.4
143.08549	1.2
145.04961	51.9
146.05368	0.8
157.06549	1.2
161.04472	3.1
163.06024	29.9
175.08992	0.8
191.07066	1.0
199.07515	0.9
202.29082	0.9
217.08589	4.3
235.09686	3.1
253.10686	3.8
271.08188	0.9
271.11649	1.5
289.08929	0.9
304.56866	0.9
325.11246	4.0
458.14856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99371	0.7
67.05512	0.8
69.03436	1.7
69.38202	3.2
79.05482	1.2
81.03414	0.8
85.02906	5.1
95.08607	0.9
97.02899	1.1
103.05493	1.4
105.07042	3.6
109.06493	0.8
119.04878	0.8
129.05498	1.0
131.04958	0.9
133.06514	12.4
137.05989	2.4
145.04959	1.0
147.04420	1.1
150.06822	1.4
151.07579	2.3
161.05994	6.8
162.06767	2.7
163.07579	1.3
165.05396	0.9
165.09132	8.7
175.07530	1.1
178.06238	6.1
179.07016	1.6
189.05531	1.2
193.08607	59.3
194.09023	1.3
202.06955	0.7
207.06540	4.7
207.10066	1.9
210.08980	1.4
217.15967	1.4
221.08092	89.3
222.08823	13.3
235.09750	1.7
235.16934	1.1
239.09207	1.9
253.10715	100.0
254.11000	3.7
271.11697	1.9
349.16782	0.9
402.76517	0.8
403.86313	0.9
408.35458	1.0
424.96530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.9
55.01869	14.1
55.05511	4.1
57.03441	8.8
61.02927	9.0
67.05499	3.8
68.99793	4.2
69.03429	41.6
69.07082	3.4
69.34538	2.5
69.44806	10.9
69.69999	2.0
71.05008	7.6
73.02916	9.6
74.55453	2.3
75.04487	9.3
76.03981	3.3
79.05495	7.8
81.03419	37.0
81.07066	11.5
85.02907	100.0
85.06561	3.4
86.03253	3.8
86.56094	2.4
87.00820	48.4
87.04446	3.0
91.03977	6.5
91.05483	12.8
93.07043	59.6
95.04996	7.6
95.08618	10.2
97.02893	73.5
97.03490	4.4
99.04454	17.0
99.08070	2.9
105.01867	81.3
105.07034	13.3
107.08588	15.8
108.04515	5.0
109.02886	47.2
109.10168	10.3
111.08098	9.0
117.01871	6.5
119.08588	11.5
121.06535	5.1
121.10149	43.9
122.52931	2.6
123.04478	3.0
125.05978	3.3
126.05585	3.3
127.03922	93.7
129.01807	6.0
131.08578	7.9
133.10153	9.2
137.06027	7.8
139.11205	6.2
145.04951	50.3
145.10135	5.1
147.08066	2.6
147.11703	5.8
149.09630	19.1
149.13312	3.3
157.10196	4.6
159.02908	22.2
159.11719	5.8
161.13306	4.3
165.05460	3.7
165.09160	3.7
167.10670	46.7
167.12001	3.8
173.13283	4.8
175.14854	3.4
176.08394	3.7
183.10269	2.8
189.03958	3.5
189.16331	4.3
199.14818	4.8
207.10158	5.5
213.03905	5.3
217.15929	11.3
231.05028	24.0
235.09860	3.6
235.16916	18.7
249.06093	11.1
253.10707	5.3
253.17987	10.4
271.19046	4.4
287.05536	16.3
287.12549	13.3
288.05865	37.9
288.12827	25.2
379.14368	2.9
397.14667	3.8
432.24707	3.8
450.18246	63.4
451.19662	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	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.8
57.03425	3.1
58.05252	0.7
60.06321	0.8
65.03896	1.0
67.05510	12.2
69.03427	2.2
69.07063	2.7
69.50938	2.4
71.04990	3.2
73.02896	1.9
79.05479	2.6
81.03385	1.0
81.07056	11.5
82.07410	0.7
83.08591	1.0
85.02898	7.9
91.05465	1.6
93.07050	7.0
95.01301	1.4
95.04951	2.9
95.08607	8.1
97.02845	1.7
97.06472	1.6
98.32573	0.8
99.00700	0.7
99.04427	0.9
99.08092	0.8
105.01878	1.7
105.07030	2.7
107.08578	4.2
109.06487	1.5
109.10158	36.8
111.04449	1.1
111.08060	0.9
113.02370	2.2
119.08583	4.9
121.01496	0.9
121.02850	2.7
121.10132	3.5
122.03206	1.7
123.04395	1.0
123.11705	1.2
127.03909	2.4
131.03400	0.8
131.08563	1.7
133.10127	2.2
135.08054	1.0
135.11690	1.6
137.09613	50.3
138.09956	1.2
141.01880	1.8
143.08549	0.8
145.04901	1.3
145.10127	0.8
147.11690	1.4
149.13232	3.4
153.12726	2.5
155.10664	3.2
157.10107	1.6
159.11697	1.5
161.09648	0.8
161.13301	1.1
165.09122	27.7
167.14316	3.4
171.04765	1.7
173.13272	1.4
175.11101	0.9
175.14847	0.9
183.10213	1.8
189.16444	1.7
196.07213	1.6
199.14780	1.4
201.11198	1.6
203.17982	1.2
211.09666	1.9
217.15852	4.1
221.19016	1.4
235.07898	1.1
235.16968	3.9
239.12778	100.0
240.13089	3.1
249.05971	1.3
253.08762	1.2
253.14056	1.1
253.18027	7.3
257.13840	44.4
258.14291	1.1
271.12195	1.6
271.19019	2.1
303.04794	1.2
304.05322	3.0
375.14270	1.0
450.16150	3.7
451.19476	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	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03440	2.3
61.02919	0.7
65.03942	2.0
68.99802	0.3
69.03433	2.8
71.01362	0.4
73.02919	5.3
73.03324	0.2
78.04649	0.3
79.05509	0.4
81.03423	0.6
81.07066	1.4
85.02904	4.7
87.00865	0.3
91.05479	26.2
92.05821	0.7
93.06447	0.4
93.07044	8.1
95.04965	0.7
95.08573	0.5
96.35157	0.3
97.02886	3.6
98.09673	0.3
99.04415	0.3
105.03385	0.4
105.07015	0.7
105.48405	0.3
107.04962	1.9
107.08579	0.7
109.02833	0.5
109.06516	7.3
109.10164	0.5
115.03922	2.6
119.05079	0.6
119.06065	5.2
119.08567	1.0
121.06505	100.0
122.06830	2.1
124.03965	1.3
125.06028	0.4
127.03930	1.2
131.08534	0.4
133.04968	0.5
133.10150	0.8
137.02357	0.3
137.05971	1.1
137.13286	0.3
138.13635	0.4
139.37398	0.3
145.04951	1.1
147.04410	0.9
147.08092	0.4
147.11620	0.4
149.13333	0.3
153.05461	1.3
157.02844	0.4
157.10098	0.4
159.11723	0.7
161.09630	0.4
165.05408	0.7
165.09015	0.5
167.03470	0.3
173.13303	0.3
175.03979	0.6
175.07602	0.4
181.05034	0.3
185.08092	2.6
189.05525	0.4
189.16422	0.5
193.04970	2.8
199.14857	0.7
205.15903	0.4
207.06493	0.7
217.08641	0.5
217.15938	1.1
221.04504	1.4
235.16974	1.3
253.07025	0.6
253.17970	0.9
268.08218	0.8
271.08240	0.6
271.19077	0.7
317.26337	0.4
398.79172	0.3
474.16428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
53.05049	0.8
55.01862	2.0
57.03436	3.5
61.02934	5.0
65.03936	2.6
67.05500	2.6
67.94290	0.8
69.03429	14.3
69.07079	1.2
69.60396	1.6
69.60783	2.1
71.05000	1.7
73.02921	2.8
74.06082	3.7
81.03424	4.7
81.05314	0.8
81.07096	1.3
83.04984	1.0
85.02907	64.0
85.06546	13.8
86.54881	0.8
87.04471	2.3
90.52040	0.9
91.03965	2.6
91.05482	100.0
92.05861	0.9
93.07047	3.1
95.05009	1.2
95.08601	3.2
97.02897	40.7
99.04459	3.4
105.07027	3.0
107.08613	2.7
109.02931	5.7
115.03949	4.6
117.07018	1.4
119.08574	1.4
120.03256	1.2
120.06607	2.4
121.06549	1.9
121.10118	1.2
123.04430	1.2
127.03907	18.5
127.04747	1.4
131.08571	1.5
133.02812	1.1
133.06511	2.6
133.10132	1.5
135.11728	2.8
139.03908	23.8
139.04987	1.6
143.08562	1.3
144.06543	1.8
145.04964	28.7
145.06339	1.6
145.06546	2.0
145.10080	0.9
147.08076	1.2
149.05980	1.2
153.01749	0.9
157.06537	1.5
161.04509	3.1
161.05968	1.2
161.13345	1.4
162.07677	2.8
163.03899	3.0
163.06010	13.7
163.07323	1.4
167.07062	3.2
169.08621	0.9
171.08047	1.5
173.13295	1.3
177.12648	0.8
189.09143	1.6
189.12730	1.8
191.07043	1.2
193.05043	1.3
217.08548	5.2
217.15865	2.0
223.13248	1.4
235.09706	5.2
235.13264	2.3
235.16933	1.7
253.10698	4.9
253.14333	10.2
253.18172	1.9
271.11816	1.6
289.06985	9.4
325.11331	2.3
337.88409	0.9
417.28067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.9
55.01869	14.1
55.05511	4.1
57.03441	8.8
61.02927	9.0
67.05499	3.8
68.99793	4.2
69.03429	41.6
69.07082	3.4
69.34538	2.5
69.44806	10.9
69.69999	2.0
71.05008	7.6
73.02916	9.6
74.55453	2.3
75.04487	9.3
76.03981	3.3
79.05495	7.8
81.03419	37.0
81.07066	11.5
85.02907	100.0
85.06561	3.4
86.03253	3.8
86.56094	2.4
87.00820	48.4
87.04446	3.0
91.03977	6.5
91.05483	12.8
93.07043	59.6
95.04996	7.6
95.08618	10.2
97.02893	73.5
97.03490	4.4
99.04454	17.0
99.08070	2.9
105.01867	81.3
105.07034	13.3
107.08588	15.8
108.04515	5.0
109.02886	47.2
109.10168	10.3
111.08098	9.0
117.01871	6.5
119.08588	11.5
121.06535	5.1
121.10149	43.9
122.52931	2.6
123.04478	3.0
125.05978	3.3
126.05585	3.3
127.03922	93.7
129.01807	6.0
131.08578	7.9
133.10153	9.2
137.06027	7.8
139.11205	6.2
145.04951	50.3
145.10135	5.1
147.08066	2.6
147.11703	5.8
149.09630	19.1
149.13312	3.3
157.10196	4.6
159.02908	22.2
159.11719	5.8
161.13306	4.3
165.05460	3.7
165.09160	3.7
167.10670	46.7
167.12001	3.8
173.13283	4.8
175.14854	3.4
176.08394	3.7
183.10269	2.8
189.03958	3.5
189.16331	4.3
199.14818	4.8
207.10158	5.5
213.03905	5.3
217.15929	11.3
231.05028	24.0
235.09860	3.6
235.16916	18.7
249.06093	11.1
253.10707	5.3
253.17987	10.4
271.19046	4.4
287.05536	16.3
287.12549	13.3
288.05865	37.9
288.12827	25.2
379.14368	2.9
397.14667	3.8
432.24707	3.8
450.18246	63.4
451.19662	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	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57121	1.1
53.03945	1.6
54.03664	1.4
55.01863	2.4
55.05497	3.0
56.96560	4.1
57.03437	15.2
60.04453	1.2
61.02928	7.3
67.05508	2.8
69.03429	25.9
69.07074	3.1
69.58334	1.5
69.58666	5.5
71.01362	2.3
71.04989	2.6
73.02915	29.6
75.76987	1.1
79.05483	3.8
81.03408	5.8
81.07056	10.1
83.04980	2.8
85.02904	56.4
87.04476	3.0
91.05482	17.9
93.07038	12.1
95.04946	2.9
95.08602	12.6
97.02895	36.9
97.06516	2.1
98.97563	3.5
99.04458	2.6
103.05458	3.2
105.07041	10.7
107.04948	3.0
107.08601	9.9
109.02867	5.1
109.06507	11.0
109.10139	3.4
111.08087	4.8
115.03931	21.0
117.07013	3.5
119.08567	11.9
121.06507	100.0
121.10131	6.6
122.06846	2.4
123.04471	2.1
123.08042	1.5
123.11704	4.6
125.09628	3.2
127.03906	14.0
128.06227	1.7
131.08582	7.1
133.04932	7.1
133.06474	2.0
133.10133	13.5
135.08070	3.0
135.11679	5.0
137.02330	4.7
137.05969	22.1
139.03929	3.9
139.07530	20.2
142.07751	1.6
143.08548	4.0
145.04950	20.4
145.06462	4.5
145.10114	5.7
147.08049	1.9
147.11650	9.3
149.09624	1.8
149.13243	3.7
150.07629	1.7
151.07535	1.4
153.01845	2.0
157.06413	1.5
157.09016	1.4
157.10094	8.5
159.08136	1.7
159.11700	8.7
161.09595	2.9
161.13254	5.3
163.06013	7.3
163.07430	2.9
163.11227	1.9
165.05502	1.5
167.07022	19.3
169.05023	1.2
173.13258	3.2
175.07579	1.3
175.11232	2.3
175.14854	3.7
177.04373	1.8
177.12743	5.7
179.07030	6.5
179.14346	1.4
181.04930	5.8
182.05283	6.7
187.06174	1.3
187.07536	7.1
187.14893	3.3
189.16382	47.4
193.15732	1.5
199.14815	10.3
205.08582	6.0
207.17493	2.9
217.08713	8.8
217.15872	26.7
223.06052	2.7
228.09846	1.4
235.09648	7.7
235.16922	30.7
237.02722	1.9
241.07057	3.4
245.10573	1.3
247.09726	1.5
253.10715	4.7
253.18030	26.9
254.18291	1.5
259.08160	1.6
270.10983	1.5
271.11935	9.0
303.07468	1.7
390.15137	6.5
408.16040	1.7
431.98944	1.6
450.13663	11.4
451.11444	2.2
463.50940	1.3
469.50836	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31527	1.8
55.05514	2.2
62.08045	1.3
67.05498	3.3
69.03419	4.3
69.07061	1.8
71.04999	9.2
71.43554	1.5
72.74306	1.4
72.75154	1.4
73.06551	1.7
79.05479	4.4
80.30002	1.3
81.03419	2.6
81.07057	13.9
83.04966	2.3
85.02895	13.1
87.00816	1.7
91.05518	2.3
93.07043	13.7
95.04928	1.6
95.08601	6.7
97.02882	4.2
97.06522	3.6
99.04462	1.5
105.01876	9.3
105.07028	3.9
107.08601	9.5
109.02892	1.9
109.10168	8.7
119.08574	4.3
121.02882	3.4
121.10122	3.6
127.03927	4.8
129.05495	2.0
129.54816	1.8
133.10126	2.1
135.11684	12.7
137.05992	2.6
137.09598	5.5
139.03842	2.0
145.04918	3.1
147.11613	2.8
149.13266	7.5
151.03789	1.6
153.12752	100.0
154.13029	3.1
157.08604	2.4
159.11717	2.0
161.09552	1.5
161.13254	4.1
161.56401	1.5
164.07948	1.4
165.09142	4.3
167.14305	3.9
217.15891	3.0
231.05150	3.0
235.16924	5.0
239.12782	9.9
249.05963	2.9
253.17928	9.4
257.13818	6.6
303.04880	1.8
304.05313	4.4
347.29431	1.4
450.17712	2.5
450.23233	4.9
450.29303	15.7
451.19269	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	450.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82266	1.0
53.03952	1.4
54.10399	1.0
55.01876	1.8
55.05517	2.4
55.97619	0.9
57.03431	2.2
57.07076	8.8
61.02919	1.4
67.05510	3.4
69.03434	8.5
69.07071	14.9
70.66804	0.9
71.04996	2.3
71.45679	1.1
76.50228	0.9
79.05498	7.8
81.03443	4.6
81.07053	7.6
83.08633	2.8
85.02902	23.7
85.71927	1.1
86.83605	1.2
87.00838	6.9
91.05485	7.0
93.07041	36.8
95.04979	2.2
95.08592	5.7
97.02889	8.5
97.06521	2.3
99.04449	1.8
99.08114	1.2
105.01875	29.5
105.07031	8.5
107.08597	46.1
109.02893	4.3
109.06502	2.4
109.10168	5.9
111.08068	1.5
119.08598	3.6
121.02867	2.7
121.06542	1.5
121.10146	40.9
122.10461	1.8
123.04419	2.6
123.11703	11.2
125.05932	1.4
125.09589	1.3
127.03925	16.4
128.38324	1.2
130.78661	1.0
131.08542	1.9
133.10123	3.2
135.08028	2.0
135.11720	1.5
137.02345	2.1
137.05943	1.8
138.02704	1.1
143.08517	1.1
145.04951	9.9
145.10132	1.6
147.11702	2.4
149.13254	100.0
150.13623	2.9
157.10089	1.9
159.02847	2.3
159.11697	2.4
161.13248	1.6
163.07516	2.0
167.10686	2.5
167.14333	7.2
171.11771	1.4
175.14839	1.3
179.03316	1.3
179.10696	2.3
181.08643	1.6
189.16432	1.7
203.06815	2.5
207.17406	1.4
217.12302	1.1
217.15930	2.7
231.04910	6.6
235.13271	2.4
235.16957	9.2
236.06371	1.9
248.06485	1.2
249.06039	11.5
250.05962	1.1
253.14316	2.2
253.17873	4.0
265.24081	1.0
271.19171	1.2
303.04901	2.2
304.05191	5.6
338.44733	1.1
365.12006	3.3
368.87320	1.2
381.28067	1.0
407.12973	8.0
450.17853	4.2
450.31601	1.3
451.12054	15.1
451.18896	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	450.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.6
57.03434	10.7
57.07081	4.6
67.05501	53.9
67.05857	3.2
69.07072	10.2
69.37241	12.5
70.06602	3.4
79.05489	28.7
80.94891	4.3
81.07051	42.8
83.08616	5.7
83.16379	2.6
87.04469	3.0
91.05467	14.2
93.07057	28.4
95.01926	2.9
95.04960	3.4
95.08609	37.7
98.98481	42.8
101.92965	2.8
105.03392	4.9
105.07034	10.2
107.08582	18.0
109.10143	14.3
119.08609	7.7
121.10114	14.1
123.08114	4.1
123.11707	6.2
131.08585	8.7
133.10115	7.8
135.11732	7.3
137.06030	3.0
137.09604	3.6
145.10167	5.8
147.11690	3.3
149.02330	4.6
149.05995	9.9
149.13283	6.9
155.01082	9.2
159.11601	4.3
161.13216	3.8
173.02176	7.2
173.13225	5.2
177.16391	4.8
193.05029	6.0
216.81113	2.9
243.21109	10.6
261.22131	24.5
279.23041	3.0
328.32327	4.7
335.25800	100.0
336.26154	6.6
450.31155	5.4
450.36417	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	450.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05519	10.9
57.03420	2.9
57.07096	2.2
57.72784	2.1
61.02929	2.3
67.05496	15.8
69.03428	6.0
69.07043	13.2
69.76859	2.1
71.04990	7.4
79.05489	9.7
81.03432	4.2
81.07056	26.2
83.04980	9.0
83.08620	10.4
85.02909	14.7
85.06542	18.3
86.41016	2.3
91.05487	9.7
93.07042	22.1
95.04978	3.6
95.08609	35.9
95.09206	2.4
97.02884	4.8
97.06532	6.1
97.10167	2.7
98.22613	4.3
99.04475	5.0
99.08056	3.4
101.06016	7.3
105.07027	17.8
107.08582	27.9
109.06526	7.2
109.10147	26.1
111.08112	2.6
117.07037	2.8
119.08580	35.4
121.06480	4.2
121.10130	27.2
121.55130	2.4
123.08078	3.2
123.11697	2.4
125.09676	3.0
127.03928	4.4
127.11213	9.5
129.05452	4.9
131.08578	4.3
133.10130	28.3
135.08044	5.6
135.11684	10.6
137.05984	5.3
137.09604	10.0
137.13264	14.7
145.10149	4.5
147.08067	3.5
147.11674	13.4
149.09631	5.4
149.13261	5.8
151.11200	2.8
153.09105	5.6
157.10127	5.3
159.11664	14.4
161.09659	11.0
161.13318	4.6
163.11180	3.0
165.09097	5.8
165.12773	4.9
167.10710	4.8
171.11732	2.3
173.13275	6.1
175.11183	8.6
175.14777	22.1
179.10645	12.1
181.12175	4.1
189.12766	4.1
189.16367	8.6
192.47649	2.5
193.12276	7.8
193.15868	6.9
195.13826	2.3
199.14795	11.6
203.18024	2.2
207.17393	3.3
209.15300	2.4
217.15871	28.6
235.16908	100.0
236.17274	4.3
239.12735	3.1
253.17989	80.7
254.18292	2.3
271.19019	41.7
288.05383	2.0
299.84601	2.2
303.05170	3.9
304.05362	7.0
308.48166	2.3
350.02515	2.2
450.17920	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	450.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.1
57.07058	2.9
60.04515	4.6
67.05508	3.5
69.07074	8.1
70.02633	2.8
70.02968	4.7
71.08644	2.9
74.83292	2.2
75.45398	2.7
77.64201	2.3
79.88871	2.2
81.07056	4.2
83.08631	4.6
95.08619	3.5
97.10191	2.5
104.53036	2.2
111.04403	6.8
123.04416	17.3
135.04428	2.8
135.08008	3.2
137.05911	11.6
139.03900	100.0
142.97705	2.6
145.06450	2.7
149.05969	33.0
153.05466	2.7
163.07532	83.4
164.07687	2.5
165.05412	3.3
173.09544	3.1
177.09055	13.3
179.07033	6.2
180.11391	2.1
181.04909	8.6
196.10889	2.9
205.08527	4.4
271.20575	6.1
289.21600	92.4
290.21899	3.3
307.22693	34.3
308.23032	3.2
331.22638	8.4
331.26285	7.8
335.25803	3.4
349.23712	54.7
350.24200	3.9
359.67960	2.6
373.23889	12.0
391.24753	19.4
415.24619	9.7
433.26022	3.5
450.28552	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.8
57.07068	2.0
63.12876	0.6
67.05499	2.6
69.07064	6.9
69.63087	1.7
69.63450	1.4
71.08652	1.8
79.05471	1.2
81.07036	2.8
83.01341	1.8
83.08600	3.5
85.02891	0.8
91.05462	1.3
93.07050	1.0
95.08639	1.4
97.10170	2.6
98.23347	1.5
107.04937	1.0
107.08618	1.0
109.06514	1.2
117.07001	1.5
121.06500	3.0
123.04410	3.0
125.05999	6.3
131.08548	2.2
135.08031	2.3
137.05975	39.2
141.05437	2.3
145.06479	2.7
145.10141	1.2
147.08038	0.9
149.05945	1.1
149.09598	3.4
151.07512	1.6
151.68271	0.7
153.05460	64.6
154.05762	1.1
159.08058	4.3
161.09598	1.4
163.07532	23.9
173.09616	2.8
174.41066	0.8
177.09097	58.3
178.09456	1.0
187.11163	1.4
191.10695	3.9
193.08580	0.8
195.06523	9.4
201.12758	0.9
205.12299	1.0
219.10240	1.5
237.07523	3.8
239.89630	0.8
285.25717	1.0
290.58905	0.9
303.26828	2.5
313.25214	8.1
331.26285	100.0
332.26654	6.1
349.27350	12.9
350.27783	1.1
373.27264	1.9
391.28412	9.4
450.31998	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	450.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57452	98.4
83.10327	97.3
140.08365	91.3
143.05269	93.4
147.88997	96.9
162.69127	89.6
201.76193	100.0
308.47571	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27115	7.9
58.23784	7.7
59.50790	9.0
67.05494	16.3
69.07079	19.9
69.69659	18.3
69.70047	18.7
71.85244	8.2
77.47356	7.5
79.05493	10.1
81.07056	22.8
84.51263	7.7
92.19265	7.8
95.08601	26.6
98.22662	10.5
98.23252	19.5
109.10141	28.6
118.15707	9.4
123.04425	84.0
139.03880	26.0
149.05991	25.3
161.05954	14.9
163.03897	53.8
165.05460	33.8
166.06203	12.0
173.05931	12.0
191.07007	9.9
191.10686	11.3
201.09073	10.1
229.12135	9.4
313.21704	48.8
331.22687	100.0
355.22717	13.7
373.23776	37.2
397.23828	12.7
409.23166	12.8
415.24557	16.6
422.53790	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	450.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92814	9.3
63.66682	10.9
69.07098	11.3
95.96001	10.0
116.89566	10.1
123.04441	20.1
125.06018	23.6
149.06023	10.9
153.05466	100.0
163.07524	15.4
179.07152	10.7
195.06552	24.0
258.91174	11.3
303.29785	10.9
337.37424	11.2
349.27429	34.5
391.28522	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03939	3.7
56.02195	2.6
57.03436	4.4
60.40012	2.2
61.02916	3.1
67.05511	4.8
68.99786	4.1
69.03420	10.4
69.36855	6.0
69.37267	6.8
71.04979	11.0
72.05309	3.0
79.05508	4.1
79.64336	2.4
81.03423	7.9
81.07040	7.8
83.05000	3.7
85.02906	30.5
86.03245	3.6
86.09725	3.8
91.05473	4.8
93.07039	3.1
95.08576	3.6
97.02892	8.3
97.06521	10.5
98.22594	4.5
99.04433	3.6
105.07025	7.7
106.02903	7.3
107.04968	22.1
107.08571	5.0
109.02888	3.0
109.10173	4.5
119.08578	5.7
121.02863	6.6
121.10100	3.4
121.79058	2.5
124.03938	7.4
127.03914	7.6
130.05791	2.3
131.04959	3.1
131.08569	3.3
133.10124	4.0
135.03047	2.5
137.02344	9.5
137.06001	5.3
139.00325	3.5
139.03871	5.8
141.06850	2.8
145.04985	6.5
145.10124	2.9
149.02339	63.4
149.09647	2.5
150.02740	3.5
153.01831	13.7
157.05006	2.9
159.04378	2.9
159.11722	5.2
161.13190	4.1
163.03819	2.2
167.02126	3.2
167.03366	13.4
169.06476	2.9
184.07283	3.0
187.07451	2.8
191.03404	2.6
197.05942	5.8
199.14690	3.4
202.25966	2.6
215.07002	72.5
217.15860	4.9
218.16243	3.0
235.16830	8.3
236.17200	4.9
243.06529	95.1
250.07268	4.4
253.17908	5.4
268.08078	6.0
271.06006	100.0
272.06326	4.2
272.31317	2.5
289.06952	12.1
290.14505	2.8
385.13824	5.6
434.10760	4.6
451.19235	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	451.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60017	0.8
58.17769	0.7
61.02898	0.6
63.76675	0.7
65.03936	0.7
67.05487	1.5
69.03399	2.2
69.07049	1.7
70.55123	0.7
71.08605	0.8
79.05449	1.3
81.03392	1.7
81.07023	2.4
85.02888	2.8
85.31689	0.6
85.56286	0.8
86.70005	0.7
87.00793	2.1
91.05462	1.0
93.07021	1.7
95.08577	2.2
96.70618	0.8
97.02898	1.3
99.08043	0.9
101.07198	0.8
105.01833	1.4
105.06998	2.4
107.08543	1.9
109.02872	1.7
109.10133	1.5
119.08546	1.9
121.02871	4.2
121.10141	1.8
123.11665	0.8
127.03880	2.0
133.10152	1.6
145.05005	0.9
145.10118	1.8
147.11659	1.0
159.11627	0.7
161.13046	0.7
165.05446	0.7
167.08595	1.4
168.08871	1.6
169.10066	3.0
172.09619	0.6
173.13173	1.1
185.04239	3.3
187.13272	1.3
201.16284	1.2
203.17947	3.3
262.51157	0.8
271.12830	1.1
289.14090	85.6
290.14453	4.2
311.19968	1.5
376.73233	0.8
451.19052	100.0
452.19128	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	451.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03946	1.5
55.01875	1.9
55.05503	1.8
57.03428	1.9
57.96690	0.7
65.03929	1.7
67.05513	3.9
68.99776	1.4
69.03432	5.3
69.07050	1.8
69.35224	4.2
70.80118	0.8
71.05012	0.9
75.04496	0.9
77.03885	1.0
79.05497	6.2
81.03423	6.7
81.07063	5.6
83.04971	1.1
85.02905	10.7
87.00823	1.3
91.05485	5.3
93.07047	20.6
94.07377	1.2
95.04961	3.4
95.08606	7.5
97.02893	1.7
97.06512	3.0
105.01866	2.0
105.04487	1.5
105.07034	4.7
107.04955	3.7
107.08581	4.3
109.02869	3.1
109.10159	4.2
110.03682	1.5
111.04453	1.4
111.08050	1.0
112.50380	0.8
113.09662	4.4
115.05434	1.4
117.06964	1.3
119.08581	6.6
121.02814	0.9
121.06506	1.9
121.10149	20.7
123.04403	0.9
123.08089	1.3
125.05993	16.0
126.01785	0.7
127.03919	2.9
129.07011	0.9
131.08531	1.7
133.02904	1.5
135.08133	1.0
137.05965	3.6
137.09634	1.9
138.03123	1.8
145.04968	1.7
145.06462	2.4
147.04414	1.9
147.08095	1.1
149.09615	6.2
153.05470	100.0
154.05847	2.0
159.04358	1.1
160.05183	0.9
161.05988	5.7
165.05472	2.0
167.03369	2.4
167.07030	2.3
167.10672	3.1
173.06017	1.6
175.07484	2.2
177.05464	5.9
179.07060	1.4
187.07512	1.6
187.13234	1.9
187.14915	0.8
187.51727	0.8
191.07013	7.7
193.05049	1.7
193.08614	11.0
199.07439	0.9
201.09109	2.5
203.07033	3.1
204.04320	1.0
205.08562	2.1
207.06534	3.2
217.08479	1.1
218.05695	1.1
219.06522	3.3
229.08621	1.1
229.12215	1.5
231.06514	5.0
231.10170	1.4
233.08173	4.4
233.11662	5.2
243.13693	1.0
249.07553	1.0
253.17822	1.0
257.11673	1.0
261.14871	6.7
271.13196	3.6
281.13770	3.4
289.14319	14.1
348.94650	0.9
373.15610	0.8
415.17300	1.2
433.18445	1.8
451.19055	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	451.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03946	1.5
55.01875	1.9
55.05503	1.8
57.03428	1.9
57.96690	0.7
65.03929	1.7
67.05513	3.9
68.99776	1.4
69.03432	5.3
69.07050	1.8
69.35224	4.2
70.80118	0.8
71.05012	0.9
75.04496	0.9
77.03885	1.0
79.05497	6.2
81.03423	6.7
81.07063	5.6
83.04971	1.1
85.02905	10.7
87.00823	1.3
91.05485	5.3
93.07047	20.6
94.07377	1.2
95.04961	3.4
95.08606	7.5
97.02893	1.7
97.06512	3.0
105.01866	2.0
105.04487	1.5
105.07034	4.7
107.04955	3.7
107.08581	4.3
109.02869	3.1
109.10159	4.2
110.03682	1.5
111.04453	1.4
111.08050	1.0
112.50380	0.8
113.09662	4.4
115.05434	1.4
117.06964	1.3
119.08581	6.6
121.02814	0.9
121.06506	1.9
121.10149	20.7
123.04403	0.9
123.08089	1.3
125.05993	16.0
126.01785	0.7
127.03919	2.9
129.07011	0.9
131.08531	1.7
133.02904	1.5
135.08133	1.0
137.05965	3.6
137.09634	1.9
138.03123	1.8
145.04968	1.7
145.06462	2.4
147.04414	1.9
147.08095	1.1
149.09615	6.2
153.05470	100.0
154.05847	2.0
159.04358	1.1
160.05183	0.9
161.05988	5.7
165.05472	2.0
167.03369	2.4
167.07030	2.3
167.10672	3.1
173.06017	1.6
175.07484	2.2
177.05464	5.9
179.07060	1.4
187.07512	1.6
187.13234	1.9
187.14915	0.8
187.51727	0.8
191.07013	7.7
193.05049	1.7
193.08614	11.0
199.07439	0.9
201.09109	2.5
203.07033	3.1
204.04320	1.0
205.08562	2.1
207.06534	3.2
217.08479	1.1
218.05695	1.1
219.06522	3.3
229.08621	1.1
229.12215	1.5
231.06514	5.0
231.10170	1.4
233.08173	4.4
233.11662	5.2
243.13693	1.0
249.07553	1.0
253.17822	1.0
257.11673	1.0
261.14871	6.7
271.13196	3.6
281.13770	3.4
289.14319	14.1
348.94650	0.9
373.15610	0.8
415.17300	1.2
433.18445	1.8
451.19055	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	451.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.6
55.01874	6.4
55.05499	2.3
57.03434	17.4
57.07096	1.2
59.04997	3.5
61.02935	1.6
66.85146	1.2
67.05502	3.1
69.03426	61.5
69.07070	7.0
71.05006	2.8
73.02911	15.3
75.04478	1.6
78.88387	1.3
79.05496	2.5
81.03413	8.3
81.07049	7.4
83.04971	2.0
85.02902	40.1
86.03273	1.2
87.00835	1.5
87.04464	41.6
88.04787	1.2
91.05442	2.6
93.07059	5.8
95.04992	3.0
95.08611	8.3
97.02261	2.7
97.02892	55.2
97.06577	1.6
98.03309	1.3
99.04485	2.6
104.10689	1.1
105.07025	8.1
107.08604	5.4
109.02882	2.8
109.10188	5.1
111.04425	1.2
111.11732	1.4
115.03925	59.1
119.08559	6.4
121.10140	6.6
123.04465	2.3
123.11716	1.8
127.03896	7.9
129.07007	1.5
131.08595	2.9
133.04958	76.0
133.10127	5.7
135.11678	2.5
136.67381	1.5
139.11174	7.3
143.08594	2.8
145.04990	5.3
145.10130	3.0
147.11676	2.4
149.13266	1.4
157.10158	2.0
157.12210	12.1
159.02873	1.4
159.11710	3.3
161.06027	2.1
161.09631	1.6
161.13252	1.6
169.04895	1.6
173.13385	1.3
184.07430	1.2
185.13393	1.2
189.16483	3.5
201.16418	3.2
203.18001	2.4
212.40602	1.2
215.18076	1.5
219.17336	1.4
231.17502	1.7
254.18312	1.6
271.16751	4.8
289.14572	1.6
289.17667	5.9
301.16730	3.1
326.25714	1.4
329.21463	1.5
332.37677	1.2
433.22516	1.9
451.23206	100.0
452.23343	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	451.2305
Annotation	Arg Phe Glu
Peak:m/z	Relative Intensity
71.46248	0.6
81.07069	0.9
85.02882	0.6
95.08601	0.6
97.02856	0.6
98.23598	0.5
105.07066	0.7
109.10211	0.6
119.08548	0.6
133.10143	0.7
135.94977	0.5
137.05962	1.0
195.47276	0.6
203.05272	2.6
271.16675	3.2
289.14822	0.7
289.17722	3.1
368.63568	0.5
451.23071	100.0
452.23416	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	451.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	0.3
60.66080	0.2
68.05035	0.3
68.54146	0.2
69.88331	0.5
70.06590	100.0
71.06913	1.2
72.08152	0.8
73.54084	0.2
81.07043	0.3
85.07685	0.5
96.08101	0.2
97.07655	0.5
112.08728	17.8
113.09058	0.3
114.10337	0.4
121.02874	0.8
124.07621	0.2
150.62422	0.2
166.05072	0.2
176.22601	0.2
180.10188	0.2
208.09715	0.3
227.14371	0.2
306.20657	0.3
320.25906	0.5
348.25363	0.8
390.27603	0.7
407.30164	8.8
408.30511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01871	0.9
55.05511	0.5
57.03432	1.1
61.02914	0.6
67.05492	1.0
69.03423	1.8
71.04998	0.7
79.00852	0.4
79.05486	2.1
81.03411	1.2
81.07050	0.6
83.04971	0.4
85.02906	6.1
91.05482	1.2
93.03403	1.5
93.07035	1.6
95.04955	1.1
95.08610	0.5
97.02883	1.7
97.06480	0.4
103.05460	1.1
105.07053	0.8
107.04951	5.8
107.08578	0.8
109.02902	0.4
109.06519	0.4
117.03368	0.8
119.04832	0.5
121.06498	2.1
123.04424	1.9
125.18131	0.5
127.03896	1.4
131.04927	6.1
133.06502	0.5
133.10085	0.8
135.04398	2.0
137.05959	0.6
139.03880	4.7
140.04651	0.8
140.52245	0.5
141.01808	0.5
145.04971	0.4
145.10103	0.6
147.04401	1.4
149.05974	3.2
151.03897	1.8
151.11215	1.1
155.03389	1.5
155.07057	0.6
159.04422	14.8
161.13162	0.7
163.03906	13.4
165.05482	0.8
167.03362	0.6
167.07056	1.9
175.03941	0.8
177.05472	22.8
178.05801	0.8
179.03394	12.1
180.08636	0.5
181.04974	6.1
184.03690	0.5
185.04393	2.4
187.04004	0.7
193.04982	7.5
195.02859	1.0
195.06537	17.3
196.06900	0.9
199.06059	1.4
201.16389	1.3
205.04945	8.0
209.08151	0.6
211.06032	3.4
217.16953	0.4
219.17464	1.6
223.06012	100.0
224.06349	2.9
237.07555	1.8
237.18546	0.9
241.07060	6.2
255.08630	34.6
255.19402	0.6
256.08932	0.7
269.72778	0.4
273.06677	0.7
273.09674	12.6
290.14334	0.6
291.08557	0.5
453.14069	0.8
453.20840	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01864	1.1
55.05509	0.9
57.02752	0.4
57.03431	1.4
61.02921	1.0
67.05509	2.0
69.03408	1.9
69.07069	0.7
69.09393	1.5
69.09798	1.0
70.06593	0.4
71.04996	0.9
73.02917	0.4
79.05489	2.2
81.03407	1.5
81.07050	3.2
83.04991	0.7
85.02902	7.6
85.06580	0.5
91.05500	2.8
91.26320	0.4
92.05841	0.5
93.03405	1.7
93.07041	3.0
95.04971	2.9
95.08628	2.0
97.02884	3.2
97.06516	1.2
99.04493	0.5
103.05433	0.8
104.90804	0.4
105.03395	0.5
105.07030	3.4
107.04942	5.7
107.08572	2.1
109.02834	0.6
109.06518	1.5
109.10145	1.5
111.04437	0.7
117.03410	0.5
119.04924	0.8
119.08574	2.1
121.06506	2.2
121.10158	1.8
122.02696	0.6
123.04442	1.5
123.11720	1.0
127.03907	1.5
131.04929	7.0
131.08574	1.3
132.46884	0.4
133.10184	1.1
135.04401	1.2
135.11714	0.6
139.03879	4.2
140.04283	0.4
145.04977	1.6
145.10130	3.6
147.04373	1.3
147.11722	1.9
149.05981	3.4
149.13242	0.8
151.03912	1.3
151.11153	3.6
153.05490	0.6
155.03404	1.4
159.04396	16.1
159.11691	3.4
160.04710	0.4
161.13217	3.3
163.03889	15.4
165.05475	0.6
167.07039	2.1
169.04930	0.6
169.12265	0.8
174.05850	5.4
177.05458	25.3
177.12613	0.4
178.05879	0.5
179.01918	0.9
179.03386	13.0
180.08771	0.6
181.04938	6.4
185.04375	2.1
187.03935	0.7
189.16360	0.5
193.04959	6.9
195.02831	1.2
195.06519	21.0
201.16379	5.6
205.04962	9.5
211.06010	4.8
219.17409	3.7
223.05997	100.0
224.06329	3.4
237.07565	2.5
237.18465	5.5
240.64128	0.4
241.07069	4.7
254.12112	0.4
255.08620	32.0
255.19505	0.6
256.08920	1.0
273.09692	11.6
290.14224	1.6
338.78888	0.4
399.23560	0.6
452.14673	0.7
452.20053	0.5
453.20953	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98286	1.6
55.01859	2.2
57.03434	45.3
59.33616	1.7
61.02921	16.3
69.03430	45.2
70.67315	3.8
71.01355	6.2
73.02917	100.0
81.03425	6.0
83.47781	2.1
85.02903	54.6
87.04481	2.8
90.96091	2.0
91.03956	3.8
97.02253	3.3
97.02890	65.8
99.04468	5.3
103.03856	2.0
109.02876	68.4
115.03925	64.3
115.04712	4.0
127.03900	18.3
133.02782	3.2
133.04968	23.4
137.05974	1.9
141.05461	57.3
145.04941	22.4
147.04483	1.9
150.07613	7.9
151.83566	1.9
153.05478	5.9
162.07599	2.6
163.06026	7.5
165.05461	5.0
177.05511	7.8
180.08655	6.1
189.05429	2.2
193.04953	2.2
195.50926	2.0
207.06523	4.3
223.06004	7.6
232.78651	2.1
235.96184	1.9
237.07553	8.8
241.07034	5.5
255.08705	2.9
259.08133	3.7
267.08615	6.8
295.10245	3.5
312.12729	3.5
337.16299	2.0
404.47839	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01871	3.8
55.05511	4.5
57.03434	4.6
63.91568	1.5
67.05508	34.5
69.03423	15.2
69.07063	5.7
69.34904	7.6
71.04990	5.9
73.02892	2.2
73.86845	2.0
79.05492	7.1
79.07504	1.5
81.03419	11.1
81.07063	16.1
83.04972	6.0
85.02910	26.4
85.06541	4.7
86.12424	1.7
87.00832	10.8
87.04488	2.9
91.05481	10.0
93.07042	6.9
95.05005	3.9
95.08605	12.3
96.04056	1.8
97.02901	13.8
97.06536	2.1
99.04461	7.5
105.01894	12.4
105.07020	9.2
107.08588	11.3
108.08952	1.9
109.02873	9.2
109.06532	3.7
109.10162	68.5
110.10603	1.9
113.05974	3.2
115.03934	3.1
119.08559	4.5
121.10110	3.1
123.11711	15.7
124.12096	2.0
127.03922	11.9
133.05008	2.6
133.10132	27.4
134.10484	2.6
137.09618	17.7
145.04948	5.7
151.11194	27.7
155.10660	10.5
159.02853	1.9
169.12245	100.0
187.13321	28.7
231.05103	3.1
237.18527	2.3
253.14452	2.2
254.14717	3.7
255.15909	5.9
255.19540	3.0
272.15680	3.7
277.14148	1.7
452.19415	6.1
453.16693	4.0
453.34271	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	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01871	7.8
55.05503	3.7
57.03434	8.6
61.02925	6.4
67.05511	11.6
68.99799	4.0
69.03426	38.0
69.07059	13.1
69.17542	8.3
69.17959	3.8
71.04978	13.5
71.34638	1.9
73.02924	10.1
79.05497	11.8
81.03411	24.3
81.07054	59.7
81.07503	4.4
83.01316	2.4
83.04981	7.9
83.08647	2.5
85.02902	100.0
85.06549	3.7
87.00828	52.6
91.05482	6.9
93.07034	16.2
95.04967	4.2
95.08601	15.6
95.85849	1.9
97.02888	56.5
97.03488	3.6
97.06532	3.3
99.04465	16.0
99.08083	14.8
103.03984	2.4
105.01864	96.3
105.07032	15.2
106.02924	8.7
107.08610	15.3
109.02870	35.8
109.06532	7.2
109.10164	15.8
111.08114	4.9
119.08550	10.4
121.06474	5.0
121.10138	8.4
123.08048	16.2
123.11701	32.9
124.03965	17.0
127.03915	79.4
129.01854	2.8
131.08604	4.0
133.06523	1.9
133.10139	6.0
135.08086	4.0
135.11690	2.1
136.93404	2.2
139.11221	7.2
145.04953	47.8
145.10155	4.1
147.02882	3.8
147.08046	3.3
151.11191	17.2
157.04924	4.5
159.02849	12.8
159.11717	5.2
161.09622	3.3
161.13260	35.4
165.09181	4.3
167.03400	28.2
167.07030	3.4
168.03792	1.8
169.12209	12.7
171.08244	2.1
179.14345	3.4
189.03951	5.1
189.09131	8.4
189.16368	2.2
191.17902	5.8
201.16415	13.1
203.17888	2.6
204.96577	2.5
207.10184	6.4
213.03944	3.2
219.17439	30.0
222.83499	2.2
231.04967	33.9
237.18463	15.6
249.06058	18.0
250.07184	3.1
268.08176	5.1
275.26837	2.3
293.10156	4.9
311.11270	8.2
329.12341	8.2
347.13339	4.0
417.17368	5.7
452.12582	2.8
453.13226	13.7
453.20639	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	452.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01865	2.2
55.05512	3.8
56.81545	0.9
57.03434	3.8
61.02925	2.6
67.05502	2.8
69.03433	9.5
69.07058	2.0
69.50330	2.4
71.04987	3.9
73.02927	2.1
75.04491	2.1
79.05499	16.1
81.03416	5.3
81.07056	9.2
83.01376	1.0
83.04984	4.1
83.08617	1.3
85.02904	18.8
87.00824	5.9
91.05480	8.1
93.07047	55.6
93.78591	1.1
94.07387	1.2
95.01341	3.4
95.04977	5.3
95.08595	2.0
97.02895	8.6
97.06544	3.4
97.16574	0.9
98.23427	1.8
99.04469	2.3
105.01881	10.0
105.04524	1.1
105.07029	8.5
107.08590	12.5
109.02879	5.0
109.06509	1.5
109.10181	4.5
111.08118	1.6
113.02359	1.5
113.06026	1.9
115.03941	1.5
116.88367	1.1
119.08606	3.0
121.06519	1.6
121.10145	100.0
122.10490	3.0
123.08062	1.9
123.11698	3.3
124.03960	1.7
125.05984	8.8
127.03918	12.7
129.07007	1.1
131.07043	1.2
131.08563	6.4
133.07664	1.4
133.10152	3.4
135.11746	1.6
137.05988	1.5
140.06958	1.1
141.01811	7.0
142.41055	1.0
145.04919	6.7
145.10110	2.5
147.04417	1.1
149.09622	57.5
149.13210	1.5
150.10042	1.5
151.11211	3.9
159.02919	3.3
159.11725	2.2
161.13287	3.6
167.10641	9.8
169.12238	8.2
181.04924	1.6
201.16338	2.1
209.04446	8.8
219.17455	5.4
223.13338	2.8
231.04916	4.6
237.18501	5.2
241.14343	22.0
249.06075	2.5
251.05450	1.4
255.15836	1.2
263.05530	1.3
307.11755	1.1
317.08710	2.1
325.12814	2.3
452.12531	10.9
453.11032	1.4
453.17242	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	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01874	1.9
55.05510	1.4
57.03434	3.3
67.05493	1.7
69.03439	10.2
70.07688	3.3
71.04993	9.5
73.02916	2.6
75.00132	1.2
75.04475	2.4
79.05499	11.6
81.03406	3.3
81.07070	3.7
82.20346	1.2
85.02903	10.9
87.00812	3.6
91.05479	9.0
93.05533	1.8
93.07045	72.6
95.01338	3.2
95.04948	2.7
97.02902	3.0
103.05479	2.0
105.01891	6.2
105.04504	2.5
105.07028	10.5
107.08598	11.0
107.12231	1.2
109.02882	2.8
109.10165	2.3
111.08064	2.0
113.02369	2.1
119.08575	2.6
121.06506	4.4
121.10145	100.0
122.06847	1.6
122.10499	2.4
123.11752	1.7
127.03940	8.6
131.08563	8.0
137.05925	1.4
141.01839	4.3
145.05002	3.7
149.09618	60.9
151.11166	10.7
159.02856	1.6
167.07092	1.9
167.10667	12.2
169.12233	8.4
169.13583	1.2
223.13347	6.2
231.05135	2.1
237.18518	2.9
241.14340	21.9
246.09418	2.5
273.16742	1.8
288.10553	4.9
290.76587	1.2
325.12799	4.0
332.09708	1.5
399.16541	4.1
408.12625	3.3
452.11545	20.8
453.20645	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	452.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.9
57.03432	6.8
57.07074	4.3
64.45078	0.7
64.98965	0.6
65.37275	0.6
67.05506	9.7
69.07066	19.8
69.07445	1.0
70.85807	0.9
71.08622	2.5
79.05499	5.0
80.94836	1.1
81.07054	11.0
83.04935	0.8
83.08618	11.2
85.06568	0.9
85.10190	0.8
90.00160	0.7
91.05436	0.7
93.07037	5.2
93.64055	0.7
95.08602	8.6
97.06522	2.3
97.10165	7.3
97.89932	0.6
105.90176	0.7
107.08597	3.8
109.10152	4.5
109.19555	0.6
111.08054	1.2
111.11738	1.9
121.10164	4.8
123.11732	1.5
125.84653	0.7
129.62839	0.6
135.11688	4.4
146.44777	0.6
149.13232	2.2
184.87631	0.7
197.31361	0.8
237.22212	1.3
280.26431	1.8
281.67108	0.7
311.25784	100.0
312.26141	4.3
331.28308	0.7
333.56021	0.8
453.16107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11074	2.6
55.05498	13.3
57.03446	4.6
57.07069	5.9
62.06086	27.3
64.89391	4.0
67.05495	9.6
69.07062	23.5
70.06579	3.6
70.07124	6.8
70.07458	3.2
79.05505	3.0
81.07057	17.1
83.08605	12.4
91.30280	3.1
93.07036	5.4
95.08597	11.4
97.10174	8.6
98.23429	3.1
98.98462	8.0
109.10173	4.3
135.11681	6.1
155.00999	7.7
174.46762	3.1
181.04645	2.8
237.22145	4.0
255.08028	3.0
280.26343	13.6
311.25766	100.0
434.26907	4.6
452.27335	3.5
453.16431	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	452.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.05513	13.4
57.03439	3.6
67.05506	11.4
69.03431	13.5
69.07063	17.4
71.05001	15.7
73.06545	2.7
75.83461	2.5
79.05497	12.1
81.03445	5.0
81.07058	44.0
83.04980	7.4
83.08598	13.5
85.02902	22.7
85.06556	3.5
87.00819	5.1
91.05486	11.6
93.07053	28.9
95.04982	4.6
95.08614	49.6
97.02904	7.9
97.06532	7.1
99.08107	7.6
100.11262	30.3
100.61833	2.6
101.06031	3.5
103.30385	2.5
105.01877	3.2
105.07021	22.5
107.04958	3.2
107.08600	37.2
109.02909	6.4
109.06530	10.0
109.10160	47.2
109.62740	3.0
111.04446	4.0
111.08086	10.5
111.11736	3.6
113.06027	3.6
117.07013	4.1
119.08580	30.4
120.04536	5.0
121.10152	91.0
122.10494	4.4
123.08080	9.0
123.11692	16.3
125.09640	6.7
127.03922	10.2
127.07555	7.7
127.11212	11.5
131.08569	11.2
133.10132	40.1
134.10501	3.3
135.11671	21.9
137.05939	3.2
137.13264	3.5
139.11198	4.1
145.04932	3.3
145.08615	6.7
145.10141	29.3
147.11703	14.8
149.09564	3.1
149.13269	17.1
151.11143	15.2
155.10672	3.8
159.11693	33.9
161.13263	22.8
163.11258	4.5
169.12245	12.0
173.13286	5.3
175.14882	10.0
177.12785	7.4
177.16380	10.4
182.15414	7.6
187.13280	5.3
189.16437	8.5
191.17986	12.0
201.16397	53.8
202.16638	4.4
203.17941	5.4
207.17462	11.6
209.16528	8.0
210.14922	11.1
217.09784	5.5
219.17453	100.0
231.05051	5.4
237.18494	78.1
238.18874	4.4
245.16870	3.3
255.19562	38.8
256.94907	3.0
259.10693	5.2
273.20517	16.1
335.92276	2.9
360.29050	2.8
435.33356	9.4
452.18939	8.0
452.25763	2.9
453.16171	6.6
453.20908	18.3
453.34265	40.6
463.48859	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	452.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89482	1.8
55.05494	6.8
57.07074	11.1
65.03930	2.6
66.69405	2.0
67.05493	10.9
69.07053	7.2
69.36856	10.3
71.01316	2.1
71.08619	7.0
79.05494	4.6
81.07050	7.2
81.51949	2.0
83.08605	6.6
85.10200	2.6
89.06029	59.4
95.04916	2.6
95.08610	6.6
97.10146	3.9
105.07011	4.0
109.10104	3.1
111.04427	16.8
111.11745	2.0
115.05471	2.0
119.04935	4.1
121.02833	2.3
123.04420	22.5
127.03904	3.0
133.06519	9.6
133.08611	27.2
137.05995	4.8
139.03900	100.0
139.07526	2.8
147.04381	6.1
147.08005	5.5
149.05920	5.9
151.03893	3.4
151.07584	2.6
151.09680	2.4
152.92937	2.4
153.05464	7.2
155.03383	24.2
155.07011	3.2
161.05962	15.7
163.07526	6.2
165.05482	17.8
167.07007	15.1
175.07553	8.6
177.11270	2.4
179.07014	45.4
181.04958	3.0
189.09111	5.0
193.08569	5.6
195.12190	3.0
196.07179	2.1
197.04433	6.2
207.10165	4.4
239.14902	51.8
287.23730	5.5
305.24716	9.0
315.23099	11.9
333.24182	82.9
334.24402	7.4
351.25208	3.6
357.24240	3.4
375.25183	10.3
393.26312	5.6
417.26398	5.1
452.30582	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	452.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.07074	1.7
67.05505	2.5
69.03419	1.2
69.07065	4.0
70.64197	2.4
71.08598	2.0
79.05482	1.3
81.07057	3.0
81.86723	0.9
92.68842	1.1
95.08609	2.0
98.22800	1.2
105.07058	1.7
111.04459	1.2
119.08566	1.6
121.06512	3.7
124.05247	1.9
125.06050	2.2
129.07008	3.0
131.08534	1.3
133.06438	1.6
137.06018	5.9
139.03874	1.4
139.07544	24.4
147.08076	3.6
151.07538	4.0
152.04701	7.2
153.05469	6.2
161.05978	4.0
161.09639	2.0
163.07591	2.1
167.07040	100.0
168.07364	3.7
172.67850	1.1
175.07523	7.1
175.11192	1.3
176.08238	1.2
177.09122	6.6
179.07079	2.1
179.10571	1.3
181.08646	1.5
183.06526	17.1
185.09599	1.2
189.09132	3.8
191.10663	1.8
193.08614	5.5
203.10733	2.3
207.10144	21.4
217.12207	1.5
221.11711	1.7
225.07591	10.9
287.23682	1.9
301.21600	11.1
305.24652	4.3
315.23175	6.7
323.15567	1.5
333.24243	51.9
334.24506	2.9
352.33838	1.1
375.25208	2.8
435.39471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22240	14.3
55.59134	12.7
57.07074	34.1
62.90144	14.1
67.05507	37.6
69.07075	20.5
69.11179	99.3
69.22231	16.0
71.08633	30.7
81.07063	34.1
85.10207	21.3
89.06039	100.0
93.07056	21.1
98.22982	77.6
104.07096	21.9
111.04452	21.7
127.38100	13.5
133.08600	31.8
137.05975	46.3
145.12280	25.9
155.01047	21.2
155.07076	29.0
163.13318	16.6
198.21724	16.4
237.94946	16.8
239.14963	38.1
253.82526	15.2
333.24225	19.1
337.27444	37.9
393.26410	20.8
452.21008	59.2
452.30209	24.6
453.16647	20.4
453.27847	34.1
453.34207	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	452.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.5
57.07076	27.1
59.46951	13.7
59.88034	15.8
67.05504	24.9
69.16467	100.0
81.07062	37.6
89.06028	66.5
95.08592	26.2
98.23097	80.0
104.07100	38.1
113.34735	15.5
119.99306	14.0
133.08647	20.3
145.12277	18.7
155.07040	39.1
163.13339	23.6
193.08720	15.4
195.88800	16.2
235.09583	20.4
239.14804	19.1
337.27359	40.0
348.03156	18.4
364.00305	17.3
421.75867	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	453.1886
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
55.05496	0.9
61.65258	0.5
67.05493	1.1
69.03439	0.9
69.07066	0.8
77.10806	0.5
79.05486	1.1
81.07044	2.4
83.08614	1.4
91.05461	1.2
93.07039	1.4
95.08619	3.0
98.22621	1.2
100.11251	2.1
105.01871	0.8
105.07016	2.5
107.08588	2.4
109.10130	1.5
117.07021	0.7
119.08567	3.2
121.10129	2.2
123.11736	1.3
129.07014	0.7
131.08537	1.5
133.10123	2.1
135.11681	1.9
143.08571	1.4
145.10071	2.4
147.11740	1.0
148.00652	0.5
149.13232	0.9
157.10141	2.0
159.11659	1.7
161.13232	1.5
163.14725	0.8
170.16206	0.8
171.11702	0.8
173.13229	1.4
175.14824	1.0
177.16438	0.5
182.15370	0.7
183.11748	0.8
185.13260	1.7
187.14830	2.1
189.16393	1.4
191.17973	1.6
199.14833	1.6
201.16420	1.5
203.14323	0.6
203.17953	0.8
209.16502	1.3
209.36760	0.6
210.14771	0.7
213.16301	0.6
217.15967	0.7
291.15634	0.7
317.20953	0.6
407.33157	1.5
435.32611	2.0
453.18799	100.0
453.33600	7.3
454.19153	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	453.1887
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
55.05515	7.2
56.96546	1.4
57.51227	0.9
67.05498	1.6
69.03422	1.3
70.48882	1.2
70.49216	1.6
82.06565	2.5
83.04998	1.7
83.08601	5.7
93.07011	2.3
94.13477	1.0
95.08581	1.5
98.97579	1.7
100.07586	3.7
100.11253	26.7
105.07027	1.6
107.08618	1.1
111.04417	3.8
112.07565	1.7
116.98604	1.7
119.08546	1.7
121.10167	1.5
126.09141	1.5
128.07054	3.1
139.03873	1.4
139.08682	1.2
140.07060	1.8
145.10106	0.9
159.11742	1.2
161.76376	0.9
168.09985	0.9
168.13831	1.6
182.15428	13.6
209.16502	5.9
210.14893	14.9
226.19221	1.2
227.17601	1.8
228.15860	1.1
234.25824	1.0
237.02707	1.3
244.20161	1.8
259.07700	1.4
291.15628	2.7
326.27789	2.1
332.05466	0.9
336.22690	1.5
337.21021	1.2
351.14731	1.4
389.81070	1.3
409.22034	1.3
429.14117	1.0
435.33441	5.0
436.31485	3.9
453.19351	100.0
453.34198	25.7
454.19629	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	453.2096
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
55.05501	0.9
55.08436	0.3
58.02962	0.4
69.07069	1.8
69.19331	1.9
77.55896	0.3
79.05535	0.4
83.05013	0.4
83.08613	0.5
93.07038	1.0
100.11259	2.7
102.43925	0.3
107.08567	0.4
111.04448	0.6
114.09177	0.8
116.98616	0.4
126.21914	0.3
133.63634	0.3
142.08621	0.5
147.11617	0.5
161.06003	0.4
171.13799	0.5
173.13213	0.4
182.15382	1.1
185.04318	0.4
203.05057	0.4
209.16542	0.6
210.14870	1.3
213.09174	0.4
227.07019	0.4
244.99762	0.4
287.09048	1.1
291.15680	2.1
337.16290	0.4
356.00964	0.3
444.33853	0.5
453.20786	100.0
453.33624	2.5
453.83655	0.4
454.21155	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	453.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74245	2.0
55.05518	10.1
57.03427	2.3
57.07079	3.0
59.04933	1.9
61.02931	2.4
67.05506	8.2
68.41335	2.0
69.03423	8.0
69.07069	6.9
71.04996	21.4
71.44071	2.4
73.06561	3.6
78.56998	1.8
79.05498	9.6
81.03422	10.1
81.07050	22.6
82.06577	21.6
83.04993	3.6
83.08620	4.4
85.02911	14.6
85.06539	7.8
87.04528	2.5
91.05481	65.0
93.07043	20.1
95.04957	9.9
95.08579	12.4
96.08125	13.9
97.02901	5.7
97.06533	4.0
97.10163	6.6
97.24828	2.0
99.08081	3.7
102.09736	2.2
105.01830	2.3
105.07031	29.9
107.08590	25.8
109.02895	4.1
109.10152	16.0
111.08065	2.6
119.08575	9.7
120.08911	2.0
121.06512	3.3
121.10147	61.3
122.10518	2.5
123.08060	2.9
123.11729	3.9
124.07599	49.2
125.09623	37.4
127.03905	4.5
127.11210	7.8
131.08582	4.0
133.10126	72.8
135.11694	6.6
137.02332	2.4
139.03876	4.0
139.11195	3.0
142.08636	100.0
143.10677	86.7
145.04901	2.7
145.10133	9.8
147.11676	12.1
149.13271	5.5
151.11217	11.7
152.11530	2.6
153.12769	6.2
159.11664	12.9
161.13243	4.3
163.11186	2.5
175.14850	2.4
184.09689	2.6
189.16409	26.1
191.17926	2.3
193.15889	2.4
201.16467	12.5
202.10732	7.7
203.05315	2.3
207.17477	13.6
219.17426	39.6
220.17867	4.0
225.18486	4.2
232.13344	4.0
237.18477	32.7
238.18723	2.8
243.12289	2.8
247.14471	2.5
255.19542	27.0
268.11771	2.2
273.20502	12.4
286.12842	3.5
291.21579	5.1
310.12537	2.1
316.94305	2.3
328.14001	3.6
346.15036	21.9
356.92416	2.9
409.10623	3.2
453.07855	11.0
453.13718	7.6
453.20862	28.6
454.20737	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	454.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62546	2.6
55.01876	3.3
57.43207	2.2
67.05507	6.8
68.12896	2.2
69.03413	3.7
69.28597	3.0
70.41406	4.4
71.05007	4.5
79.05492	10.5
81.03418	3.1
81.07053	21.7
85.02927	11.3
87.00833	3.0
93.07044	2.5
95.01349	4.4
95.08614	39.7
97.02893	4.8
99.08091	2.4
105.01862	3.5
105.07043	15.8
105.40127	2.2
107.08572	4.4
108.58411	2.6
109.02956	2.8
109.06537	5.2
119.32397	2.3
123.08075	98.4
125.06011	12.1
127.03912	4.3
133.06569	3.2
135.11659	3.7
141.01840	5.7
141.09128	4.7
151.07552	100.0
153.12762	9.6
159.02858	3.2
160.96474	2.6
169.08646	29.3
187.09656	34.1
225.11214	22.1
243.12280	91.3
244.12607	3.2
261.13251	11.4
292.08221	8.5
377.96982	2.3
393.09784	2.8
419.15329	8.1
454.21286	13.1
455.15015	7.8
455.21970	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	454.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05511	4.7
57.03438	1.3
63.07457	0.5
65.03918	1.9
67.05495	1.4
69.03419	1.9
69.07073	1.3
71.04985	1.6
71.09048	0.6
79.05493	3.8
81.03412	4.6
81.07065	3.2
82.06586	20.4
82.07355	0.9
83.04996	1.0
83.08571	0.8
85.02917	2.9
85.06523	0.9
87.00844	0.8
91.05482	51.9
92.05811	0.7
93.07037	2.0
94.07388	0.6
95.04996	0.7
95.08618	3.9
96.07531	1.0
96.08131	16.3
97.02875	2.2
97.06532	0.7
99.08080	0.6
105.07037	1.7
107.04932	1.1
107.08604	2.1
109.02865	1.6
109.10154	2.6
110.10480	0.7
111.08061	0.7
119.08536	1.0
121.10162	2.6
122.10484	1.9
123.07294	0.7
123.08070	3.3
124.07594	47.9
125.08001	0.9
125.09608	1.9
126.09941	0.8
127.03944	1.3
127.11169	1.9
133.10150	3.7
134.10439	2.9
134.63228	0.5
135.11688	1.2
140.07039	1.1
142.08636	100.0
143.08974	2.2
143.10674	4.9
144.11038	1.7
145.04950	0.9
149.09627	0.6
150.56284	0.6
151.07561	2.3
151.11171	0.8
153.12762	3.3
155.14389	0.9
167.07072	0.8
169.08682	0.6
171.13843	1.8
182.08096	0.6
184.09744	1.1
189.16411	0.9
190.16797	1.1
201.16293	0.6
202.10770	8.9
207.13757	1.0
220.17813	1.2
225.11220	0.8
232.13354	4.0
238.18840	1.7
243.12289	3.1
250.10793	0.5
256.19794	1.2
268.11871	3.5
274.20898	0.7
276.07483	0.6
286.12915	2.4
292.11957	0.7
293.22678	0.6
313.11942	0.9
328.13953	3.1
346.14941	19.4
347.15134	1.0
379.06793	0.6
383.14975	0.9
394.18738	2.5
411.12650	0.6
423.05490	1.0
436.19711	1.1
454.20776	50.2
455.15155	2.8
455.21918	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	454.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	5.1
57.03439	9.2
61.02947	10.5
68.00140	5.3
69.03426	20.3
69.07072	10.8
69.28464	28.2
71.04996	26.4
73.02929	10.7
79.05481	5.3
81.03413	22.0
81.07044	35.8
85.02905	49.9
87.00822	28.5
91.05502	12.6
93.07053	25.1
95.04982	7.5
95.08620	19.9
97.02902	20.6
97.04778	14.2
105.01871	33.9
105.07021	10.1
107.05023	6.0
107.08635	13.2
109.02897	15.7
109.06528	8.7
109.10161	7.3
119.08591	9.9
123.08071	27.5
124.07594	8.0
127.03894	35.5
135.11684	27.0
139.05791	7.7
140.06131	8.8
145.04987	14.4
147.11687	6.5
151.05798	9.7
151.07561	18.5
153.12749	85.5
157.06850	21.8
158.07195	10.1
165.12709	7.2
169.06842	12.0
170.07275	8.5
175.07843	7.4
177.12787	6.4
187.09656	9.0
195.13785	5.9
214.31210	5.5
227.11823	10.9
231.04916	10.0
243.12283	16.4
253.09698	12.7
261.14886	7.7
295.10645	6.0
301.11133	16.7
302.11435	20.4
313.11780	18.4
435.63678	5.9
436.18695	11.9
454.15860	100.0
455.15854	17.9
455.22440	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	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.78176	0.7
55.05509	2.6
57.03439	4.9
57.07077	21.8
59.19518	0.5
62.06092	26.0
67.05508	3.8
69.07080	4.0
71.08274	0.9
71.08636	13.5
73.69806	0.5
81.07063	4.9
82.40800	0.6
83.08634	4.2
85.10181	8.1
89.06026	1.3
95.08615	8.5
97.10184	2.2
98.98480	6.3
103.07581	0.9
109.10127	3.7
123.11695	1.1
124.01589	1.6
127.07887	0.6
142.02608	1.9
155.01073	6.0
163.07513	0.9
167.15150	0.7
173.02022	1.0
198.05305	1.7
210.63217	0.7
213.31326	0.7
216.06313	3.0
239.23729	1.7
282.27902	12.9
313.27368	100.0
314.27805	4.5
393.24078	6.3
436.28223	4.0
447.40625	0.7
454.29242	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95848	1.7
55.05515	14.7
57.03432	7.9
57.07076	8.8
67.05504	15.4
69.07069	25.6
69.22690	10.9
70.31152	1.9
71.08638	5.6
73.82719	1.7
79.05482	5.2
81.07057	16.5
83.08621	19.9
85.10201	2.2
93.07035	8.6
95.08597	17.3
97.06540	2.8
97.10165	9.6
98.23365	5.5
98.98470	26.8
107.08581	5.4
109.10152	6.6
111.11732	2.0
120.73152	1.9
121.10149	8.4
123.11726	2.3
131.90878	1.9
135.11725	6.6
148.12561	1.8
149.13220	2.4
155.01038	25.9
173.02002	2.2
219.57344	1.9
234.11067	2.0
247.24245	3.4
256.74139	1.9
265.25269	12.0
339.28925	100.0
340.29306	3.5
437.20090	2.4
455.21317	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	454.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.1
57.03437	8.9
57.07073	8.2
67.05495	20.5
69.07069	34.5
70.14993	8.8
72.11787	3.4
74.38667	3.5
79.05495	16.0
81.07066	26.8
83.08619	21.4
87.38503	4.0
91.05521	4.4
93.07040	13.2
95.08624	27.6
97.10174	11.2
98.98482	35.5
100.35450	4.1
105.07018	4.3
107.08590	9.1
108.09023	4.0
109.10154	16.3
111.08073	4.2
119.08596	6.3
120.73576	3.4
121.10159	14.3
121.44022	4.0
123.11768	4.9
133.10143	6.4
135.11684	15.1
155.01036	51.8
204.88478	3.8
237.14839	13.9
245.15089	4.0
247.24284	5.3
265.25131	18.5
320.19815	4.6
339.28903	100.0
437.20193	5.9
454.33725	14.2
455.35684	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	454.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.6
57.07079	15.6
60.22681	8.1
67.05524	14.2
67.81707	7.6
69.07076	9.1
69.49501	31.8
80.94838	8.1
81.07040	26.1
83.08607	10.1
95.08615	23.8
109.10159	14.3
110.33850	7.4
123.11634	8.1
137.05925	16.1
139.07553	15.5
151.07558	14.4
153.05472	15.4
167.07050	39.3
172.08995	7.5
183.06548	95.7
200.03340	8.0
201.09033	8.2
202.00706	7.3
207.10152	18.4
215.10696	9.3
219.17416	26.3
225.07507	26.8
233.11742	13.0
235.13306	22.5
299.20129	18.7
299.25858	21.7
312.03568	8.0
313.21695	19.3
331.22696	100.0
396.18369	28.0
439.20297	13.2
443.63791	9.2
454.16742	12.8
454.22330	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.6
57.07081	26.6
62.06102	25.3
69.07080	4.2
71.08627	17.0
81.07047	7.9
83.08617	9.0
85.10146	6.7
85.14760	4.0
92.53278	4.4
95.08583	9.9
107.26519	4.2
109.10163	5.8
139.07549	6.8
143.92673	4.3
145.75287	3.9
153.05357	6.5
155.01067	5.3
167.07069	13.7
183.06561	6.0
188.10425	4.0
282.27985	10.3
313.27307	100.0
314.27670	10.0
349.23907	8.6
393.24142	4.8
396.18405	8.1
436.28275	5.5
454.22672	5.3
459.83698	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	454.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92029	3.0
55.05518	2.8
56.51086	2.5
86.94342	2.7
93.78280	3.0
95.08641	3.3
95.76616	2.7
98.74608	2.8
103.27679	2.7
107.13749	3.7
121.06535	3.7
139.07570	20.5
152.04742	3.4
163.07495	3.0
167.07039	100.0
176.52722	3.8
194.37309	2.8
335.25793	69.3
437.33832	4.1
455.33823	4.1
471.57581	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	454.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.4
57.03434	3.8
57.07072	3.6
67.05508	16.7
69.07061	20.6
69.48692	2.4
70.06584	10.9
71.08646	2.9
75.48347	2.8
77.57716	2.8
79.05487	13.4
81.07054	26.2
83.08618	10.5
85.06556	3.3
85.10139	2.9
89.06068	2.8
91.05468	15.1
93.03445	2.8
93.07053	11.3
95.04977	5.4
95.08605	20.2
97.06561	4.9
97.10158	6.2
98.98483	10.6
105.07022	7.7
107.04971	10.0
107.08612	7.6
109.06486	6.6
109.10165	4.4
111.08055	5.5
111.52604	2.8
112.07625	3.7
117.07025	8.3
119.08564	3.9
121.06530	11.5
121.10150	11.2
123.04429	15.3
123.08067	3.9
125.05998	30.9
133.06462	5.8
135.08051	10.3
135.11685	7.2
136.79535	2.7
137.05977	47.8
139.03894	7.4
139.07549	4.7
145.06516	3.5
147.08052	7.0
149.09613	7.3
151.07552	33.7
152.04660	14.6
152.08270	2.8
153.05470	44.0
155.01035	11.5
155.07021	4.2
161.05975	19.5
162.06787	3.7
163.07538	52.4
166.06334	8.0
167.03348	13.4
167.07039	36.4
168.07863	8.3
169.05013	14.4
175.07518	8.4
177.09105	80.9
177.16464	3.3
179.07079	9.9
181.04962	44.8
181.08560	23.2
182.05760	42.5
183.06514	8.4
184.05838	4.6
184.07301	30.3
191.10722	9.1
193.08659	16.2
196.05484	4.7
196.07312	100.0
197.08049	44.2
198.08894	9.8
199.09712	14.1
203.10603	3.8
203.17964	3.9
207.10201	8.9
211.09660	59.9
237.14841	10.6
258.05380	3.5
265.25269	3.3
273.07538	16.2
305.72559	3.0
339.28928	40.0
340.29016	4.2
341.21152	4.1
345.24268	4.4
349.06116	2.9
355.22556	3.8
373.23694	41.2
374.24310	4.2
387.25217	7.9
388.25861	3.2
405.26422	32.0
406.26993	4.9
419.27820	42.2
437.21219	4.1
437.28485	21.7
455.21872	5.5
455.27924	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	454.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
57.06818	2.0
57.07080	31.2
61.08092	1.3
67.05497	1.8
69.07068	2.6
69.54009	4.9
71.08633	21.2
73.06553	6.8
81.07038	1.9
83.08607	1.6
85.10185	21.5
87.04478	3.1
89.06033	100.0
91.07618	1.7
95.08582	1.5
96.64262	1.4
97.10180	2.5
99.11741	4.3
107.07063	1.5
113.13284	1.6
117.09142	2.2
130.08640	1.8
131.07108	1.6
133.08604	49.6
155.17941	4.3
158.96294	1.4
163.07495	2.5
177.11230	18.8
181.08522	1.1
195.12331	3.5
199.20540	3.6
217.00948	1.4
221.13841	2.2
239.14868	2.9
243.23222	6.6
245.66747	1.4
265.16367	1.4
283.17520	27.7
287.25745	2.3
306.96048	1.5
314.77124	1.3
339.28125	2.8
349.29868	1.3
393.32013	1.9
437.34692	30.5
438.35190	2.7
455.28113	1.6
455.34824	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	455.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80033	0.1
66.10417	0.1
70.49131	0.2
73.75397	0.1
94.93011	0.3
96.92885	0.2
107.10674	0.1
111.51962	0.1
112.89604	100.0
114.89324	0.7
119.65827	0.1
120.93874	0.1
165.47282	0.1
202.89095	1.0
207.97797	0.5
212.85228	0.4
221.99095	0.2
250.89354	0.2
251.03006	0.2
284.83698	0.5
304.74960	0.1
344.85837	0.9
381.07962	1.2
455.11606	17.8
456.11581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1319
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
54.15343	0.9
56.96567	2.2
80.77221	1.0
81.56332	1.1
85.02907	2.5
91.05495	1.5
98.97585	5.3
110.97574	2.7
114.82544	1.1
116.98596	2.1
128.98625	1.2
132.73521	1.1
137.06007	4.1
158.99684	1.2
167.03397	2.1
171.13760	1.3
179.03680	1.5
183.79907	1.3
183.97334	1.1
200.17392	1.3
203.05255	1.4
209.04477	7.1
219.01732	2.4
237.02773	4.0
275.16333	1.8
323.07910	3.8
327.07495	2.2
328.08075	1.4
341.09128	2.3
347.15445	1.5
391.94278	1.4
412.62619	1.5
437.21384	1.2
455.13156	83.4
455.22427	100.0
456.13269	6.2
456.22516	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	455.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.4
55.05508	5.0
56.05833	1.3
60.89849	0.3
62.83720	0.3
69.36843	0.7
69.37255	1.0
70.06578	0.4
75.32187	0.3
82.06554	1.1
82.20128	0.4
83.04970	0.5
83.06878	0.4
83.08618	4.2
84.08115	0.4
84.08942	1.3
98.09691	0.6
100.07612	1.6
100.11251	22.4
101.07946	0.6
101.10949	0.5
101.11578	7.9
102.11936	0.4
104.54328	0.3
110.06021	0.7
110.91321	0.3
111.04443	1.9
111.06382	0.4
112.04749	0.6
112.07610	0.6
112.11253	0.6
117.13865	0.6
123.13202	0.3
126.09109	0.6
128.07069	1.4
128.09085	0.5
131.29106	0.4
138.47115	0.4
138.93211	0.4
139.08699	1.8
140.07059	0.9
140.08989	0.4
151.03792	0.4
182.15399	4.8
183.15750	3.6
184.16156	0.6
187.06419	0.4
192.85776	0.3
207.10159	0.8
209.16466	3.6
210.14876	4.7
210.16820	4.5
211.15250	5.1
211.17151	0.8
212.15523	0.6
226.19153	1.2
227.17488	0.4
227.19481	1.4
228.15852	0.5
263.05054	0.8
275.08832	0.7
277.06830	14.0
278.07419	1.1
293.09927	6.2
327.28232	1.3
336.22968	0.6
337.23145	1.2
410.08963	0.4
436.33575	7.8
437.33853	2.3
440.12921	0.6
454.34659	31.9
455.15158	100.0
455.22296	22.0
455.34906	12.5
456.15671	5.6
456.22708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1527
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
54.77393	0.2
56.09432	0.3
74.56034	0.2
80.56125	0.2
95.08612	0.6
98.76643	0.2
98.97520	0.3
109.69728	0.2
111.03558	0.3
113.43099	0.2
150.43121	0.2
153.01791	2.0
161.07880	0.4
170.05171	0.3
171.02904	0.2
179.07094	0.3
204.02565	0.2
215.11124	0.2
260.30844	0.2
293.09961	1.0
309.24820	0.3
455.15341	100.0
455.22464	15.7
456.15680	5.5
456.22073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	0.9
53.03902	0.3
55.01823	0.4
55.05464	1.2
65.03944	1.5
67.05468	0.4
68.99783	1.6
69.35596	0.5
69.35986	0.9
75.04449	0.4
76.07378	0.2
77.03900	0.3
79.05492	2.7
81.07022	0.5
83.08583	0.5
85.02899	0.3
89.03902	0.3
91.05475	1.7
93.03358	0.3
93.07043	8.4
95.04922	0.8
100.11254	2.0
101.11582	0.4
103.41206	0.3
105.03361	0.6
105.04517	0.4
105.06979	0.8
107.04915	0.6
107.08603	2.0
109.10138	1.1
111.00797	3.2
111.04407	1.5
117.03375	0.3
119.08533	0.3
121.02842	1.4
121.10149	5.5
123.04430	2.1
127.03889	0.5
128.07057	0.4
131.08556	0.6
133.02844	0.6
133.06482	0.4
135.04433	0.5
139.03900	100.0
140.04228	1.8
145.02824	0.3
149.05978	1.0
149.09607	1.4
151.03903	8.9
152.04289	0.3
153.05479	0.5
159.04500	0.3
159.08061	0.7
161.05991	0.6
163.03903	11.4
164.04359	0.3
165.05469	0.3
167.10655	0.3
173.06009	0.5
177.05499	1.1
179.07025	2.0
182.15468	1.0
189.05481	0.4
191.07069	0.3
201.05498	0.3
203.07144	0.6
205.04950	5.3
207.10139	0.4
209.16585	0.3
210.14995	1.0
211.15237	0.4
215.06927	0.3
229.05168	0.4
231.10208	2.6
259.13342	0.6
271.06113	1.3
287.05780	0.7
287.12939	0.9
289.07056	26.5
290.07654	1.0
293.17218	0.6
294.95309	0.3
301.07074	1.7
319.08295	0.4
425.14886	0.3
436.32086	0.5
437.16098	0.3
454.32971	2.0
455.22263	11.0
455.33826	1.4
456.22662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.8
55.01876	1.1
55.05486	2.2
57.03415	1.0
58.31803	0.4
64.96841	0.4
67.05486	0.9
68.69736	0.4
68.82924	0.5
69.03082	0.7
69.03432	12.3
69.07069	2.3
69.97425	1.5
71.04973	1.5
73.02868	0.7
73.06544	0.5
77.03918	1.2
79.05495	8.7
81.03415	3.3
81.07031	2.1
83.04981	6.2
83.08602	0.6
85.02918	5.3
85.06543	0.5
86.09681	0.6
87.00832	2.8
89.06028	1.2
91.05494	3.2
93.07018	2.2
95.04959	2.7
95.08598	1.8
97.02885	2.0
97.06520	0.7
99.04439	1.3
103.05466	3.4
105.01852	1.8
105.04523	1.3
105.07050	7.8
107.08591	9.0
109.02897	2.6
109.06500	1.3
109.10135	0.8
117.06990	0.7
119.08567	3.5
121.06493	5.6
121.10146	4.4
123.08065	2.2
125.06004	1.4
127.03912	4.3
129.06989	0.6
131.08566	3.9
133.06494	100.0
133.10127	4.1
134.06834	1.8
135.08052	7.4
135.11676	0.9
137.09631	1.3
143.08568	1.8
145.04935	1.3
145.10120	2.2
147.08047	2.1
147.11699	4.3
148.08777	0.8
149.09631	2.2
149.13269	1.1
151.07576	0.9
153.09097	1.0
158.10922	3.0
159.02885	1.6
159.08084	1.5
160.62613	0.6
161.09595	3.1
161.13287	1.0
163.11188	4.4
163.14822	0.6
171.11766	1.0
173.13278	4.9
174.10423	1.6
176.12006	1.0
189.12746	25.6
190.13293	0.7
191.14314	52.8
192.14662	1.3
195.02950	0.6
195.10014	0.5
207.13811	20.2
229.12296	0.6
231.05064	1.0
297.15015	1.0
315.15918	0.6
344.26093	0.5
395.38629	0.5
454.35132	0.6
455.14111	0.9
455.22678	16.7
456.23138	0.5
460.28012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26799	0.6
53.22599	0.5
57.74759	0.6
59.70501	0.5
67.84143	0.5
69.08286	0.5
69.32359	2.9
71.93024	0.6
85.02827	1.3
98.23448	1.2
121.10126	0.7
139.03912	3.3
151.03867	0.5
185.04170	0.7
216.74202	0.5
275.16119	0.6
289.06967	1.2
293.17215	90.3
294.17554	3.7
394.84579	0.6
417.75705	0.5
455.22537	100.0
456.22940	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2254
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
69.03437	1.8
69.31330	1.1
87.04465	1.0
93.07031	0.3
95.08617	0.3
98.97595	0.4
112.15698	0.3
121.10141	0.3
135.58049	0.2
149.09537	0.3
151.03902	2.5
160.73491	0.2
162.38585	0.3
169.91473	0.2
173.08192	0.4
191.09126	0.4
203.05281	0.6
207.10252	1.0
245.13791	0.5
275.16058	0.4
277.12823	0.4
293.17206	0.6
308.94485	0.3
335.07697	0.3
437.22684	0.3
455.22522	100.0
456.22876	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	455.2254
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
50.67574	0.2
59.48509	0.2
67.05492	0.2
81.07054	0.3
85.02930	0.5
86.16096	0.2
98.22647	0.6
98.97582	0.4
99.04518	0.2
123.08083	0.3
133.13368	0.2
139.03818	0.2
151.07581	0.4
157.10381	0.2
162.46785	0.2
167.03404	0.3
203.05344	0.6
205.04858	0.2
207.06432	0.5
244.12558	0.3
249.11244	0.5
275.16153	1.5
293.17230	0.5
326.31210	0.2
437.21143	0.4
455.22531	100.0
456.15793	0.4
456.22916	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	455.2253
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
50.26799	0.6
53.22599	0.5
57.74759	0.6
59.70501	0.5
67.84143	0.5
69.08286	0.5
69.32359	2.9
71.93024	0.6
85.02827	1.3
98.23448	1.2
121.10126	0.7
139.03912	3.3
151.03867	0.5
185.04170	0.7
216.74202	0.5
275.16119	0.6
289.06967	1.2
293.17215	90.3
294.17554	3.7
394.84579	0.6
417.75705	0.5
455.22537	100.0
456.22940	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2254
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
63.31842	0.4
68.84382	0.4
71.45834	0.5
81.07050	0.7
93.07030	0.3
98.97615	0.5
100.11285	0.5
101.08767	0.4
105.07059	0.4
127.05828	0.6
139.03918	2.2
151.03897	0.6
151.07681	0.5
175.07521	1.0
187.07898	1.1
189.09113	0.5
203.05319	0.4
218.86360	0.4
259.10257	0.6
274.97562	0.6
289.07184	0.6
293.17218	2.4
319.12103	0.8
323.20496	0.8
355.26776	0.4
411.23572	1.6
455.22525	100.0
456.22818	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	455.2768
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
69.39156	1.3
69.39548	0.9
81.11465	0.4
90.05989	0.4
135.15059	0.5
271.72220	0.5
296.97113	0.5
386.02930	0.5
455.27661	100.0
456.27960	8.8
479.30322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05499	1.3
57.33844	0.4
61.85387	0.4
65.03947	0.7
67.05505	2.6
68.99779	1.0
69.03419	0.5
69.07055	0.9
71.11417	0.6
74.98582	0.5
79.05484	2.9
81.07054	2.3
91.05489	3.6
93.07037	1.4
95.04944	1.7
95.08611	2.0
96.00719	0.5
97.06513	1.8
103.05469	3.1
105.04500	0.4
105.07037	3.1
107.04951	8.8
107.08635	0.4
109.06509	1.7
109.10123	0.5
110.03658	0.7
111.04417	1.6
115.05432	1.0
117.06998	1.8
118.17424	0.4
119.04957	0.7
120.05685	0.5
121.06496	4.8
121.43833	0.4
123.04421	3.3
123.08060	0.9
124.02001	0.4
125.05988	35.0
126.06291	0.9
130.07869	0.4
131.04906	1.6
132.05717	0.8
133.06473	2.8
134.07263	0.4
135.04457	0.6
135.08047	6.9
137.05975	24.5
138.06339	0.5
139.03886	1.6
139.07507	1.1
145.06474	1.4
146.07272	0.5
147.04425	0.8
147.08032	0.8
148.05190	0.9
149.05968	1.3
149.09616	2.6
151.07538	16.9
152.07918	0.5
153.05463	42.0
154.05812	1.1
156.57990	0.4
161.05920	2.4
162.06725	1.6
163.07536	100.0
164.07846	2.7
165.05504	0.6
167.07056	0.8
175.07568	3.4
176.08421	0.6
177.09106	36.1
178.09462	1.2
179.07037	4.2
189.09114	1.5
191.10640	4.4
193.08565	3.3
203.10648	0.7
205.12224	0.5
217.12421	0.6
257.08063	0.9
271.09708	1.2
273.07504	0.6
301.44525	0.5
303.23306	0.8
315.23276	1.2
316.23160	0.5
317.21078	0.5
423.25436	1.9
437.26718	4.3
438.26895	0.4
455.27902	51.6
456.28171	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2793
Annotation	Blazeispirol Z
Peak:m/z	Relative Intensity
52.53425	1.3
55.05521	11.0
56.01749	1.4
57.07042	1.7
58.73479	1.2
63.87069	1.3
67.05501	7.6
67.25596	1.1
69.07087	6.8
70.00400	3.4
70.00737	1.3
72.42531	1.3
75.54677	1.3
79.05485	3.5
79.74191	1.2
81.07039	9.0
83.08633	3.3
85.02917	1.9
91.05479	4.4
93.07034	2.6
95.04981	2.5
95.08612	5.7
105.07036	3.2
107.04944	4.0
107.08624	1.6
109.06519	1.9
111.04428	3.1
117.07003	2.1
121.06515	4.7
121.10144	1.4
123.04444	3.4
123.08107	2.3
123.11620	1.4
125.06026	8.6
133.06506	2.1
137.05978	23.8
139.03889	4.5
139.07629	1.4
139.99428	1.2
147.08029	1.4
151.07536	16.6
153.05460	8.2
161.05945	4.4
163.07533	11.6
165.05386	1.4
165.06810	1.7
165.09082	1.6
169.06491	1.5
171.04433	1.7
173.06062	1.5
173.09633	1.9
175.07521	1.9
177.05472	4.8
177.09134	7.0
181.06406	1.9
183.08063	2.2
184.05142	1.7
185.06036	3.5
187.07561	3.6
189.09213	1.4
195.08028	1.7
197.06044	4.2
198.06752	3.2
201.05565	1.6
201.09004	3.2
210.06787	1.9
211.07584	7.2
212.04614	2.1
212.08305	5.2
213.05406	11.4
213.09125	2.3
214.06270	6.7
215.06998	3.9
223.07578	3.2
225.05623	2.9
225.09102	4.9
226.06276	3.8
226.09964	1.4
227.07013	8.5
228.07794	5.7
229.04922	4.6
229.08536	13.4
230.05763	3.3
239.06993	7.0
239.10510	1.8
240.07819	4.8
241.04865	3.2
241.08594	9.2
242.05714	4.9
242.09366	4.4
243.06516	20.1
243.10193	5.9
244.07286	6.3
245.04507	3.6
251.07002	3.2
251.10770	1.8
253.08722	4.1
254.09416	2.6
255.06479	3.3
255.10197	3.3
256.07315	7.9
257.08072	31.6
258.05557	2.9
258.08871	17.1
259.06033	6.7
259.09604	3.6
260.06790	9.1
265.08606	2.5
267.10205	4.2
268.07150	1.6
268.10880	2.0
269.08121	6.6
270.08804	3.4
271.09628	18.4
273.07495	9.2
274.08365	10.9
275.09085	9.3
281.11588	1.6
283.09689	5.8
284.10562	2.6
285.11224	3.7
287.09158	5.8
289.10645	7.2
298.11874	2.3
299.12619	3.2
301.10779	3.1
303.23273	4.4
315.12415	4.3
405.24133	1.7
406.25024	2.7
409.27808	6.3
423.25055	4.2
424.26028	18.4
427.29126	1.6
437.26898	44.4
437.32913	2.3
438.27362	2.6
440.25580	4.1
455.27914	100.0
456.28299	7.9
479.25259	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05503	1.4
57.07065	0.5
61.79950	0.4
62.91372	0.4
65.03938	1.2
67.05505	3.7
68.99780	1.2
69.07066	2.4
69.18172	1.5
69.18574	1.0
77.03931	0.4
79.05489	3.0
81.07063	2.8
82.04166	0.7
82.92283	0.5
83.08608	1.1
91.05472	3.6
93.07034	2.0
95.04961	3.0
95.08608	3.4
97.06535	2.3
98.98471	1.1
103.05480	3.6
105.04523	0.9
105.07051	2.7
107.04957	9.0
107.08578	1.0
109.06493	2.0
111.04425	1.7
113.55703	0.5
115.05418	1.1
117.07033	2.3
120.05692	0.5
121.06501	6.3
121.10178	0.6
123.04413	4.3
123.08049	1.4
125.05994	36.3
126.06289	0.9
131.04936	2.1
131.08551	0.8
132.05675	0.9
133.06534	2.7
135.04424	0.7
135.08070	8.7
137.05984	27.2
139.03896	2.3
139.07530	1.7
145.06454	1.5
146.75368	0.5
147.04361	0.6
147.08032	1.4
148.05200	1.6
149.05949	1.3
149.07051	0.5
149.09631	3.5
151.03835	0.4
151.06339	1.0
151.07549	19.3
152.06262	0.4
152.07770	0.6
153.05467	37.7
154.05840	0.6
155.01091	0.8
159.08076	0.9
160.05281	0.8
161.05963	1.7
161.09727	0.5
162.06790	1.4
163.07542	100.0
164.07864	2.6
165.05386	0.9
167.07002	1.0
173.09540	0.6
175.07491	3.3
176.08240	0.5
177.09109	33.4
178.09451	1.1
179.07040	3.6
189.09123	2.0
191.10677	5.0
193.08621	3.5
203.10703	0.7
206.08020	0.5
217.12187	2.2
235.13347	0.6
257.08102	1.4
271.09613	1.0
315.23135	1.9
317.21115	0.7
340.29352	3.7
368.26938	0.5
405.24271	0.6
423.25140	1.7
437.21100	0.9
437.26556	3.8
455.27921	48.1
455.34277	1.7
456.28094	3.4
456.44217	0.6
483.81546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	0.7
55.05491	1.4
65.03930	1.8
67.05498	3.1
68.99802	1.1
69.03419	0.6
69.07059	1.4
69.23795	0.9
69.24206	1.5
69.54478	0.4
69.70868	0.4
77.03925	0.9
79.05495	3.1
81.07059	2.3
82.04202	0.7
83.08621	0.7
85.02891	0.5
87.96950	0.4
90.76289	0.5
91.05475	2.9
93.03384	0.5
93.07023	1.2
94.04172	0.4
95.04961	2.8
95.08600	2.4
97.06547	2.5
103.05456	4.6
105.03390	0.4
105.04498	0.5
105.07024	3.2
107.04953	8.4
107.08599	0.8
109.06519	2.0
109.10139	0.6
110.03634	0.8
111.04444	2.0
115.05455	1.4
117.06997	1.9
121.06506	5.7
123.04426	3.6
123.08052	1.5
125.05989	39.8
129.06931	0.6
131.04939	2.9
131.08569	0.5
132.05724	0.9
133.06479	3.6
135.04469	0.6
135.08058	6.0
137.05977	28.0
139.03900	1.6
139.07500	1.2
141.05371	0.5
145.06468	1.6
147.04433	0.7
147.08058	1.5
148.05147	1.3
149.05989	1.7
149.07126	0.5
149.09599	3.3
151.07539	18.2
152.07895	0.5
153.05466	39.4
154.05844	0.6
159.08026	0.5
161.05981	3.0
162.06754	1.4
163.07539	100.0
164.07875	2.0
167.07024	1.1
174.06737	0.6
175.07538	3.8
176.08327	0.8
177.09108	35.2
178.09453	1.1
179.07053	4.2
189.09099	1.3
191.10669	4.6
193.08636	4.7
203.10707	0.7
217.12262	1.0
224.69580	0.5
241.08514	0.5
257.08035	1.0
271.09714	0.9
273.07523	0.6
315.23123	2.1
317.21255	0.8
405.24341	0.5
423.25223	2.0
437.26923	3.9
455.27914	53.5
456.28214	4.1
465.36975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	18.1
67.05505	34.1
69.07053	17.6
69.24249	52.0
79.05482	16.7
81.07059	79.6
83.08663	14.1
84.18490	12.0
91.05473	22.8
93.07043	58.3
95.08622	86.8
98.97594	35.7
105.07044	69.7
107.08595	100.0
109.10158	59.9
111.08068	15.9
116.98634	25.4
119.08605	74.1
121.10155	66.1
123.11687	31.9
131.08575	50.4
133.10146	35.0
135.11734	60.1
139.07634	12.0
140.23468	11.2
143.08568	27.8
145.10063	64.4
147.11655	26.5
149.13231	48.4
157.10175	22.9
159.11688	38.8
161.13269	28.5
163.14882	22.0
173.13257	32.5
183.11685	25.2
187.14841	29.0
189.16399	37.4
191.14200	18.1
191.17943	76.0
197.13261	16.3
199.14853	17.0
201.16393	24.4
203.17993	35.8
205.19496	26.1
217.15929	16.3
217.19643	13.3
229.15826	39.8
233.15309	21.1
254.42136	12.4
263.16525	25.6
271.01886	18.6
274.97379	40.8
292.98575	19.2
437.34045	36.1
455.35220	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	455.3518
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
55.05508	14.8
57.07062	6.1
67.05160	2.4
67.05500	26.1
67.47022	1.5
69.07067	22.6
69.42210	2.8
69.42596	4.1
71.04996	3.2
72.49610	1.4
79.05488	23.8
81.07050	79.0
83.04985	3.7
83.08615	14.1
85.06494	3.6
91.05467	31.0
93.07037	65.9
95.04952	4.6
95.08600	100.0
96.08942	3.1
97.06525	3.8
97.10177	5.7
98.97551	2.1
105.04523	2.1
105.07024	66.0
107.08586	85.3
108.08920	1.8
109.06508	5.7
109.10145	62.3
111.08075	6.8
111.11713	2.0
115.05349	1.8
116.98638	2.0
117.07005	11.8
119.08572	57.0
121.06499	3.9
121.10133	63.9
123.08055	4.0
123.11704	28.2
128.06219	3.8
129.07025	10.9
130.07721	1.7
131.08549	37.2
131.09457	2.8
133.06502	2.2
133.10118	40.1
135.08040	6.3
135.11687	56.7
137.09608	3.1
137.13249	15.3
141.06937	4.1
142.07813	7.5
143.08549	23.7
144.09288	2.9
145.10109	53.7
146.10606	1.9
147.08055	5.1
147.11670	32.7
149.09595	2.9
149.13246	35.9
151.14824	2.3
155.08540	7.1
156.09311	4.8
157.10115	27.7
158.10991	3.4
159.08099	3.2
159.11678	47.8
160.12288	1.8
161.09593	6.0
161.13251	29.8
163.11165	4.3
163.14803	23.0
163.97495	1.7
165.12776	2.2
169.10088	12.2
170.10768	2.3
171.11658	18.3
172.12392	1.5
173.09625	3.9
173.13243	31.1
175.11224	6.5
175.14795	17.9
177.12793	5.2
177.16393	8.8
179.14293	4.4
181.10109	2.3
182.10829	2.1
183.11685	8.4
185.13254	19.4
186.13782	1.6
187.11162	5.0
187.14809	22.7
189.12706	7.7
189.16364	25.7
191.14322	8.6
191.17923	70.2
192.18240	2.5
195.11526	1.8
197.13254	8.8
199.14810	18.0
201.12773	9.2
201.16370	19.2
203.14284	9.0
203.17928	27.6
205.15854	4.6
205.19495	27.1
207.17393	8.6
209.13335	3.0
211.14810	9.2
213.16418	5.6
214.17093	1.7
215.14337	13.7
215.17834	8.1
216.18361	1.6
217.15884	12.4
217.19427	7.8
219.13792	3.9
219.17448	3.3
219.21109	2.6
221.15424	2.2
223.14835	4.8
225.16411	2.9
227.14371	5.0
227.18059	2.4
229.15846	14.1
229.19502	6.8
231.13925	3.0
231.17368	3.9
231.21069	8.9
233.15347	19.8
235.17087	2.2
237.16487	2.2
239.17897	4.1
241.19437	2.9
243.17410	2.3
243.21182	3.4
245.15277	7.5
245.18973	1.9
245.22630	4.9
247.16893	16.5
253.19579	2.8
255.20975	2.1
257.19083	2.6
259.20639	2.0
263.16428	27.6
269.19025	4.5
269.22037	1.6
271.20612	2.5
273.22433	1.8
283.20694	2.3
301.21539	2.8
315.23108	2.1
323.23569	1.8
363.26852	1.9
407.33029	7.0
409.34689	4.4
419.33002	16.3
425.34033	7.0
437.34113	35.8
455.35156	81.9
456.35413	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	455.352
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
55.05500	9.0
57.07064	5.8
67.05507	15.5
69.07066	49.3
69.07410	5.4
69.29025	9.0
78.55077	2.6
79.05490	9.7
81.07059	16.4
83.01347	4.4
83.08604	6.0
85.02882	3.7
91.05486	10.9
93.07047	34.0
95.04952	4.5
95.08596	17.9
97.10154	3.1
105.07042	8.6
107.08586	24.7
109.10146	13.6
119.08598	8.0
121.10147	9.8
123.08073	4.3
123.11704	5.0
125.05968	19.1
131.08580	5.5
133.10152	7.4
135.08041	6.1
135.11673	13.6
137.05968	7.2
143.08624	5.2
145.10138	6.2
153.05457	72.4
157.10089	4.4
159.11684	5.0
161.09641	3.5
167.07048	5.0
173.09698	4.1
175.07549	6.0
177.09100	8.4
179.07014	5.6
179.10626	16.0
189.09148	5.2
191.10806	3.1
193.08592	6.6
203.10570	2.8
217.42456	3.1
247.17155	4.9
257.15408	3.7
301.21649	4.0
301.61670	3.1
319.22665	8.8
329.60263	3.3
355.75650	2.8
359.88190	3.0
369.28046	3.8
387.28946	47.4
388.28897	3.6
409.34653	8.1
437.34192	32.5
437.97342	3.3
455.35190	100.0
456.35342	9.6
456.44656	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Embelinone
Peak:m/z	Relative Intensity
55.05507	3.6
57.03434	1.6
57.07061	2.1
62.02207	0.9
67.05511	4.2
69.07068	4.1
79.05496	3.5
81.07054	9.0
83.08632	2.3
85.06541	1.7
87.94579	1.0
91.05498	2.4
93.07041	6.2
95.04990	2.0
95.08598	10.9
97.06506	1.3
97.10149	1.4
98.98501	1.3
99.08070	1.4
105.07021	5.0
107.08580	10.7
109.10158	8.4
111.08049	1.5
117.06998	1.3
119.08570	10.4
121.06521	1.8
121.10139	10.3
123.08094	2.1
123.11695	3.5
124.93769	18.3
125.05997	5.9
131.08578	2.2
133.10153	10.2
135.08060	3.3
135.11702	12.1
137.05997	2.8
137.09665	1.5
137.13257	1.3
139.07545	2.0
139.11205	1.4
142.94833	4.2
145.10181	5.1
147.08101	1.3
147.11688	6.5
149.13261	1.5
151.07549	2.9
151.11128	1.2
153.05505	3.2
155.01045	1.7
157.10095	2.1
159.08107	1.5
159.11681	3.2
161.09642	2.6
161.13292	2.6
163.07632	1.3
163.11313	1.1
163.14828	3.8
169.10146	1.1
169.56076	1.1
171.11752	2.2
173.09712	1.5
173.13307	2.0
175.11192	3.5
177.09114	6.0
187.11208	3.5
187.14845	3.9
189.16373	18.6
191.10706	3.5
197.13284	2.2
205.15907	2.7
207.17442	45.1
208.17853	1.9
213.16457	1.4
215.14320	9.0
217.15939	1.5
229.15874	40.8
230.16296	1.4
231.17574	6.1
233.15338	18.0
243.17404	2.1
247.16905	14.0
259.26071	1.0
279.56488	1.2
283.20493	2.8
340.29276	5.7
415.43378	1.2
419.33206	2.4
437.20447	33.4
437.34067	19.9
438.20761	3.0
438.34024	1.4
455.21646	30.0
455.35196	100.0
456.21829	1.3
456.35703	7.5
476.63150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
53.03938	1.8
55.05503	14.1
57.07078	3.7
65.03956	2.1
67.05499	24.6
69.07067	31.0
71.08614	2.1
79.05481	9.7
81.03413	12.5
81.07054	36.4
81.07508	2.9
83.04987	3.7
83.08623	8.3
91.05489	10.9
93.07043	26.4
94.62868	1.5
94.76420	1.4
95.04967	6.0
95.08603	100.0
96.08904	2.1
97.06520	12.2
97.10182	3.4
98.22693	3.4
99.08085	4.9
105.07024	18.1
107.04936	3.6
107.08596	31.5
109.06548	8.2
109.10149	48.5
110.10455	1.7
111.08085	10.3
111.11706	7.9
115.07625	2.2
117.07063	4.7
117.39417	1.6
119.08582	23.4
121.06503	4.0
121.10136	33.7
123.08090	6.3
123.11706	20.8
125.09618	2.9
129.06972	3.4
131.08572	14.5
133.06447	2.0
133.10118	19.1
133.11031	1.8
135.08075	8.5
135.11684	15.7
137.09618	15.6
137.13235	9.3
142.07787	3.0
143.08575	4.5
144.09338	1.5
145.10132	13.0
147.08037	2.6
147.11685	16.9
149.09610	13.3
149.13248	14.0
151.11230	3.7
151.14827	2.6
153.09132	10.3
155.08592	1.7
155.10612	1.5
157.10106	15.7
159.08115	1.9
159.11676	13.4
161.09618	8.6
161.13246	8.1
161.99350	1.6
163.11166	15.9
163.14835	4.3
165.12732	1.9
171.11699	8.6
173.09630	7.5
173.13268	12.7
175.11195	10.3
175.14810	2.3
177.12766	5.2
177.16386	3.1
179.10648	2.0
183.11647	3.1
185.13237	3.5
187.11133	3.3
187.14861	5.3
189.12787	5.3
191.10706	5.1
191.14351	5.9
191.17960	6.5
193.12158	1.8
197.13324	3.5
199.14816	4.8
200.20064	1.4
201.16505	1.6
203.14305	2.9
203.17986	5.0
205.15858	2.7
205.19495	15.0
206.19826	2.0
207.13799	2.7
207.21144	1.9
213.16382	7.3
215.17989	2.9
217.12340	3.2
217.15825	3.1
217.19501	2.2
225.16385	2.0
227.17992	2.6
231.13791	1.7
233.15398	2.1
235.13322	4.6
239.17957	2.3
245.22533	1.6
253.19489	1.7
257.18967	1.7
257.22656	1.6
273.18591	2.0
281.22766	2.4
291.05771	1.6
297.25644	4.7
299.23941	2.0
299.27301	3.2
301.25253	12.5
313.25256	5.4
327.26822	6.3
337.28842	12.7
341.28403	3.6
351.30450	20.5
351.34369	2.7
352.30768	1.6
355.29987	3.9
369.31613	6.4
377.32068	6.9
383.33130	4.5
392.42633	1.6
393.31503	25.2
395.33096	27.2
396.33258	2.1
411.32626	22.8
413.34210	2.1
419.33035	3.2
437.34094	63.6
438.34457	8.1
455.35181	86.4
455.49524	3.2
456.35608	6.6
456.44089	4.9
467.62000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Embelinone
Peak:m/z	Relative Intensity
52.74839	0.5
55.05506	2.5
57.03416	0.6
57.07063	1.9
67.05505	4.3
69.07066	6.2
71.08616	0.8
79.05488	2.7
81.07053	8.0
83.08621	2.7
85.06550	0.7
89.06050	2.7
91.05483	1.9
93.07038	5.0
95.04958	0.8
95.08607	9.7
97.10188	1.2
105.07030	3.2
107.08586	8.8
107.43103	0.5
109.06531	1.0
109.10153	7.3
111.08117	0.6
111.11730	1.8
117.07046	1.4
117.18560	0.6
119.08598	4.6
121.06503	6.2
121.10152	8.6
123.08062	1.7
123.11703	11.2
125.09631	1.2
131.08556	1.8
133.06560	0.7
133.08601	0.9
133.10124	4.2
135.08057	4.6
135.11681	3.0
137.09662	1.2
137.13254	2.0
138.51373	0.6
139.07498	1.0
143.08636	1.0
145.10101	4.1
147.08054	2.7
147.11690	2.6
149.09605	3.7
149.13300	1.3
151.14828	2.9
153.05412	0.8
153.09065	1.2
157.10110	2.3
159.08028	7.9
159.11684	3.9
161.09666	3.1
161.13264	1.9
163.07530	0.7
163.11203	1.7
163.14818	2.2
165.12880	0.6
171.11688	1.4
173.09608	7.5
173.13326	3.2
175.11203	3.7
175.14822	1.3
177.09059	0.9
177.16391	2.1
183.11761	0.9
185.09494	0.7
185.13283	1.7
187.11188	6.2
187.14783	1.1
189.12784	2.2
189.16409	1.5
191.17952	0.9
195.11707	0.7
199.11232	1.7
199.14838	1.2
200.12018	0.6
201.12752	5.9
201.16386	0.9
203.14403	0.8
207.17427	0.9
211.14816	1.1
213.12743	2.3
213.16367	0.9
215.14317	3.9
215.17896	1.2
219.17615	0.9
223.14833	0.9
227.14323	1.4
227.18085	0.6
229.15781	3.0
229.19476	0.7
233.15285	2.7
243.17363	5.3
247.17010	2.4
257.19077	1.7
261.18524	4.6
275.20132	1.6
279.20761	0.6
283.20358	2.9
284.17773	0.7
287.20242	0.9
296.63608	0.5
297.22238	2.6
299.19958	1.6
309.22137	1.4
313.21698	1.6
315.23178	1.4
327.23163	1.9
341.24841	2.6
349.30145	0.7
353.24597	1.5
397.31024	0.8
409.27963	0.8
419.33264	3.1
437.34164	13.0
438.34735	1.4
455.35199	100.0
456.35593	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	455.9803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	5.8
69.16165	4.3
70.26791	0.6
79.11107	0.8
82.61426	0.7
98.97583	82.9
105.36149	0.8
116.98623	35.8
128.44339	0.8
134.99652	9.1
172.94368	4.1
190.95378	2.3
214.95398	3.4
232.96460	6.3
250.97560	3.3
256.96390	16.8
258.99780	1.0
274.97507	100.0
275.97827	1.9
277.00854	2.5
292.98560	55.8
297.99146	1.6
342.80869	0.9
405.43060	0.7
414.95377	17.8
432.96429	24.9
450.97339	3.0
455.97256	0.8
456.96146	1.0
474.97803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.18569	0.7
65.03931	1.2
69.03427	4.0
71.10755	0.7
75.16538	0.6
81.03413	10.4
85.02898	2.9
86.06056	4.9
93.03403	2.3
97.02898	4.1
97.67706	0.6
99.04440	0.9
108.04458	1.5
109.02885	4.3
111.04437	5.7
122.06000	1.7
127.03921	4.7
137.02345	100.0
138.02661	1.1
140.07051	2.8
145.04967	1.1
148.07556	5.5
149.85382	0.6
153.01813	2.9
155.03394	15.5
168.06609	2.0
197.04402	0.7
201.33051	0.6
212.89978	0.6
231.06566	1.7
281.06531	14.2
282.06735	0.8
287.05643	1.5
287.13828	2.8
299.07620	14.0
300.03741	0.6
315.13538	1.9
413.17999	1.0
456.21942	3.9
457.16422	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	456.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
57.03433	0.8
60.98468	0.5
63.36054	0.5
65.03960	1.2
69.03426	4.9
77.99144	0.5
81.03410	9.0
85.02928	2.9
86.06065	4.1
93.03401	1.9
94.06595	0.5
97.02896	6.7
99.04485	0.9
99.37905	0.6
108.04453	3.3
109.02869	4.7
111.04446	5.0
122.06018	2.8
127.03934	4.8
128.07068	1.0
137.02347	100.0
137.03427	6.1
138.02704	1.8
139.03940	1.2
140.07062	5.9
145.04988	1.0
148.07573	11.2
153.01823	5.0
155.03387	15.7
168.06573	5.3
175.33577	0.5
179.03545	0.8
231.06570	0.9
239.05673	0.6
281.06534	13.8
281.09305	1.1
287.05667	2.9
287.13968	3.8
299.07578	12.4
299.10684	0.8
315.13394	3.9
357.08521	0.7
413.17673	1.0
456.21674	6.4
457.12250	0.6
457.16830	5.6
457.23840	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45037	1.1
66.09054	1.0
67.05496	3.5
69.03414	2.3
71.45097	1.1
85.02891	3.5
89.70817	1.0
91.05457	3.0
97.02863	1.1
98.97587	4.0
104.97752	1.1
105.01915	1.0
105.06998	1.3
107.04945	1.6
109.06517	1.1
116.98611	3.5
121.06504	10.2
123.04420	2.7
124.12357	1.1
127.03912	1.9
131.08585	6.6
133.06384	0.9
133.40689	1.2
135.04475	1.6
135.08037	2.3
137.05977	10.8
137.09570	1.3
145.04906	2.5
145.06537	1.4
147.04355	2.4
149.05991	1.4
159.08022	2.5
160.08809	2.8
161.06000	2.6
162.06783	6.8
163.07536	6.2
163.11134	4.3
175.07559	1.6
176.08351	8.0
189.09142	1.7
191.10657	100.0
192.11023	1.1
215.10535	1.4
233.11740	2.4
257.11728	1.7
274.97516	4.6
292.98468	1.7
297.98529	1.5
347.77563	1.2
351.08017	1.0
363.39069	1.1
388.31079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.3
54.47163	0.9
55.01860	1.5
55.05499	1.9
57.03435	18.4
61.02934	1.4
65.03945	1.9
67.05496	2.2
68.99786	0.8
69.03438	2.2
71.44306	0.8
79.05489	3.7
81.07050	3.2
83.04961	1.0
83.06467	0.9
85.02904	12.5
85.06532	1.9
88.99393	0.9
91.05470	1.7
93.03487	1.0
93.07043	4.7
95.04980	3.1
95.08610	2.8
97.02898	2.8
98.97561	1.8
99.04453	20.9
105.07021	1.5
107.08607	4.2
107.49438	0.8
108.02087	2.1
109.02918	0.8
109.06524	1.8
111.00822	1.0
111.04449	2.7
116.80506	0.8
117.06981	2.0
119.08562	2.0
121.02902	1.2
121.10133	6.5
123.04449	5.7
123.08078	4.4
125.06017	3.2
127.03935	2.1
131.08614	2.2
135.11696	0.9
139.03899	100.0
139.11211	1.7
141.05482	1.5
149.09610	48.8
149.13284	4.7
150.10083	1.6
151.03908	68.1
151.05011	6.2
153.01823	3.8
155.81702	0.8
159.11710	3.1
160.70811	0.9
163.03917	2.6
163.11128	1.3
167.14337	1.1
177.12744	41.1
178.13516	30.7
179.14157	0.9
189.02165	28.6
195.13799	64.5
196.14166	2.2
205.04976	3.6
209.11504	2.1
213.99937	0.9
241.08961	3.0
259.09995	92.5
260.10373	4.4
277.11011	2.1
279.19250	1.6
287.05569	1.0
289.07068	6.7
294.13776	1.4
334.83276	1.0
371.16800	6.5
413.17773	17.2
456.15472	4.3
456.22678	23.9
457.16736	40.9
457.23981	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01866	3.3
55.05501	0.8
57.03435	5.5
59.04995	1.4
61.02917	4.0
67.05500	1.0
69.03425	7.8
69.07063	17.1
71.04990	2.9
71.44202	0.7
73.02920	1.8
73.06551	0.6
76.51765	0.6
79.05484	2.6
81.03426	3.1
81.07040	1.3
82.06562	1.0
83.01357	0.6
85.02901	40.2
85.06543	1.6
87.04458	1.4
91.03951	1.6
95.04953	1.7
97.02892	12.5
97.06528	32.9
98.97569	0.8
99.04448	3.1
99.08092	14.6
99.08732	1.2
105.72067	0.7
109.02875	3.4
109.06523	2.8
111.04436	0.8
111.08079	1.0
113.05984	3.2
115.07565	100.0
116.07902	1.6
121.06539	1.2
123.08067	0.9
125.05963	0.7
127.03905	10.3
127.07579	1.8
135.07988	0.8
137.06012	1.7
139.07550	2.5
145.04961	11.2
147.04463	0.9
151.07599	1.0
153.01813	3.9
163.06020	1.9
163.07535	1.1
169.08600	0.7
181.08669	1.6
199.03935	0.8
223.09726	2.2
241.10681	6.2
259.11774	11.2
274.97577	0.9
277.12827	21.8
278.13190	0.8
280.08023	1.0
287.05521	1.9
412.13101	0.7
420.12180	1.5
456.10751	11.9
456.22946	0.8
457.12552	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	456.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
57.07075	44.0
58.06590	0.9
67.05497	2.7
69.07067	4.0
70.06586	9.6
70.68137	1.6
71.08627	7.0
73.02912	1.4
77.03939	1.5
79.05502	1.6
80.53645	1.0
81.07066	3.7
83.08635	2.6
85.10162	2.5
85.41999	0.9
86.27470	0.9
87.04475	2.5
88.07632	14.9
89.06027	43.0
91.05483	6.3
93.07043	16.4
95.04970	3.9
95.08612	6.8
96.87743	0.9
102.09180	9.4
103.05467	3.0
104.29026	1.0
105.04520	2.3
105.07019	1.4
107.08628	3.0
109.10146	2.2
119.04956	2.7
119.08575	2.4
121.06504	63.4
121.10152	2.8
123.11756	1.1
133.08597	15.3
135.08055	1.1
145.10043	1.0
147.08026	6.3
147.11665	1.2
149.09628	1.9
159.11736	1.2
163.11194	1.7
165.09116	20.5
177.11218	5.9
177.12778	5.9
183.10184	3.3
189.65541	0.9
200.20096	39.2
209.11717	5.0
218.21167	3.4
221.15308	7.8
227.12807	1.1
265.17923	1.3
265.24805	1.2
271.15393	71.3
272.15790	2.9
283.26297	43.1
284.26495	1.6
327.21640	100.0
328.21915	4.9
384.22833	1.1
439.35315	1.0
456.36124	4.2
456.44095	78.9
457.37045	1.0
457.44214	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	457.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97104	2.0
56.47676	2.0
62.03475	2.0
64.08121	1.8
70.06588	13.0
71.43864	2.2
77.82590	2.0
84.08147	7.2
85.02875	2.9
97.10486	2.1
104.38741	2.0
112.89596	7.6
114.89341	79.7
116.07097	15.7
128.07030	2.3
130.08626	8.4
131.01793	2.0
146.08150	3.4
153.01814	18.5
153.05479	3.4
157.01691	2.5
161.02974	3.2
179.03424	3.0
199.04271	2.1
263.06143	2.4
277.07700	10.3
287.05420	15.3
367.08594	4.6
413.08368	9.1
457.07294	100.0
458.07553	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	457.075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22800	1.7
55.28286	1.5
56.23641	1.4
56.96566	4.3
62.89683	1.4
64.10938	1.6
69.70733	5.9
81.07048	3.0
83.44125	1.8
85.02900	2.4
98.22749	2.8
98.97604	12.4
103.81631	1.6
113.13583	1.7
115.07613	2.6
116.98642	4.6
126.79111	1.6
127.11193	1.8
136.07539	2.2
153.01811	15.0
179.03427	1.9
237.00597	1.8
237.02635	1.9
250.70630	1.8
283.01248	3.2
287.05347	8.9
295.01172	2.3
304.83701	2.0
355.03073	2.1
389.07626	2.3
413.08340	10.9
415.00223	3.3
433.90878	1.8
450.56485	1.6
457.07425	100.0
457.13089	5.6
458.07550	4.8
482.13287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
56.59991	0.6
59.66523	0.6
67.05540	0.8
68.99790	8.9
69.03431	1.0
69.79759	1.3
69.80128	1.2
70.06603	0.6
71.90070	0.6
72.45176	0.6
79.01867	5.7
81.03411	0.8
81.07056	1.3
85.02894	1.3
91.05455	0.8
97.02885	1.8
98.23447	0.8
98.31953	0.6
99.04437	0.7
105.07030	0.8
106.43243	0.6
107.01314	1.1
109.02879	1.0
109.06509	1.6
111.00812	4.1
117.07055	0.7
121.10151	0.9
123.08099	0.7
125.02315	3.1
127.03931	10.2
131.04953	0.8
133.02908	0.7
133.10164	1.0
139.03946	1.8
143.03395	6.9
143.49538	0.6
145.06514	1.1
147.04416	0.8
149.02409	0.6
151.03903	2.5
153.01836	100.0
153.02927	6.8
154.02159	1.5
157.02687	0.6
157.06522	1.4
164.07143	0.5
171.04414	7.4
173.05980	3.7
175.03940	3.3
177.05455	1.1
179.03400	19.1
183.04402	0.7
185.05965	2.0
189.05504	1.7
191.14378	0.7
199.03917	12.7
201.05505	5.2
203.03406	4.3
209.15312	1.0
213.05510	5.7
216.67583	0.6
217.04948	5.6
219.06552	5.6
227.03409	2.6
229.05008	1.6
231.06653	0.9
241.04982	6.1
245.04469	12.3
257.04465	1.3
259.05969	1.2
269.04510	4.3
285.04010	0.8
287.05511	70.4
288.06021	3.1
302.12640	1.1
303.05020	7.3
304.04974	0.7
305.06628	6.7
331.04456	10.1
457.15918	3.5
468.32327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.2
55.01854	0.9
57.03418	0.3
61.64582	0.3
65.03934	2.1
67.05514	1.6
68.99782	1.3
69.03413	0.9
74.16405	0.3
81.07038	0.4
81.65809	0.3
85.02897	0.6
87.27312	0.3
93.03397	0.7
93.07030	0.4
94.32751	0.3
95.04944	1.0
95.08553	0.4
97.02875	0.5
98.97578	2.9
103.03966	0.3
105.04509	0.3
107.08517	0.3
108.02083	1.8
109.02838	0.3
111.00800	0.7
111.04443	1.9
116.98637	1.7
121.02864	1.7
121.03934	0.2
123.04433	4.9
127.03888	1.0
134.99670	0.9
137.05978	0.5
139.03893	100.0
140.04227	1.3
141.05504	1.5
149.05977	0.9
151.03903	62.2
151.04990	5.2
152.04231	1.3
153.01802	3.0
153.02939	0.4
158.99677	0.5
159.04372	0.4
163.03911	3.1
163.07527	0.5
167.03380	0.4
175.07468	0.4
177.00731	0.8
177.05516	0.5
179.03423	0.9
179.07057	0.5
187.03891	0.7
199.03955	0.5
203.05299	2.1
203.07036	0.5
205.04953	4.3
209.11482	0.3
217.04906	0.4
221.04581	0.6
229.04991	0.5
237.02843	0.3
237.10857	0.3
242.45688	0.3
245.04424	0.4
245.08116	0.3
247.05997	0.4
271.06085	0.9
277.14883	0.5
277.17688	3.1
279.03970	0.3
287.05530	2.1
289.07077	5.9
295.18729	0.6
337.09579	1.0
371.16876	0.7
413.17694	1.9
440.97168	0.3
456.22836	4.1
457.16818	7.5
457.24091	52.9
458.24402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.113
Annotation	Epigallocatechin 3-O-vanillate
Peak:m/z	Relative Intensity
52.79253	0.4
53.00301	1.1
55.01864	0.9
55.05508	0.4
65.03946	2.5
67.05487	1.7
68.99771	0.9
69.26936	1.7
83.04963	0.4
93.03445	0.4
93.50682	0.4
95.04954	1.5
104.13396	0.4
108.02074	1.6
111.04430	1.5
121.02838	1.5
123.04415	4.2
137.78207	0.4
139.03894	100.0
140.04173	2.0
141.05475	1.3
149.05960	0.5
151.03905	67.6
151.05000	6.1
152.04208	1.2
153.01814	0.6
153.05478	0.7
163.03908	3.7
163.53996	0.4
177.05380	0.4
179.03433	0.5
179.07085	0.7
205.04976	3.8
205.12167	0.4
229.05026	0.7
247.05913	0.8
271.06039	1.2
277.17715	0.9
289.07077	5.7
371.16800	0.4
413.17801	1.3
456.22681	1.2
457.16663	3.3
457.24115	26.4
458.24472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1316
Annotation	KN-92
Peak:m/z	Relative Intensity
64.89448	0.4
71.45064	0.5
98.97607	0.9
139.03824	0.7
153.01826	3.7
153.02881	0.6
162.02908	1.2
179.03398	0.8
199.04001	0.8
204.57407	0.4
216.98048	0.5
217.04889	0.6
234.96919	0.5
277.00043	1.4
284.12061	0.5
287.05545	1.9
317.08481	1.4
325.08987	1.5
358.78503	0.5
393.08075	0.5
457.13153	100.0
458.13538	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	457.1472
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
51.14591	0.6
55.05509	1.1
56.96549	0.9
69.03426	1.9
69.07063	0.9
70.73679	1.0
72.08145	0.8
75.35306	0.6
81.03384	1.0
81.07054	1.6
83.04976	2.5
85.02908	1.9
86.09706	4.1
87.00831	0.8
91.05486	1.6
93.07043	1.0
95.08610	2.9
97.06557	0.9
97.15385	0.6
98.92870	0.6
98.97595	1.1
99.08099	1.1
105.07020	1.4
107.08588	5.2
109.02873	0.8
109.06522	1.7
109.10168	2.5
111.04424	0.6
119.08584	1.0
121.10123	5.0
125.09632	1.5
127.03957	1.2
131.08575	1.3
133.10132	3.5
135.04443	2.5
135.08041	2.1
135.11696	0.9
137.09627	1.7
142.30092	0.7
146.87209	0.6
147.11708	0.9
149.09644	1.7
149.13266	2.4
150.50670	0.6
151.11160	10.6
151.12268	1.0
153.01801	1.3
163.14871	1.7
165.12770	1.1
173.13268	2.4
185.16483	1.5
191.14304	11.3
209.15352	14.9
213.16002	0.9
219.01871	0.8
237.02914	1.1
245.18771	1.0
287.05478	0.9
310.72156	0.7
371.13849	3.8
389.14896	0.8
394.61194	0.6
413.15466	7.8
457.14685	100.0
457.23486	4.8
458.14926	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1476
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
55.05502	1.0
56.96564	1.0
62.48913	0.7
67.05499	1.5
67.53485	0.8
69.03421	3.3
69.07071	0.8
69.20122	4.2
75.57012	0.6
77.03951	0.8
79.05470	3.6
81.03421	0.8
81.07051	3.9
85.02901	2.2
87.00829	1.0
90.86351	0.7
91.05472	2.5
93.07032	2.7
95.04968	1.3
95.08591	1.4
97.02903	1.0
98.26401	0.6
98.97572	2.1
105.07024	4.7
107.04945	1.5
107.08597	12.4
109.06492	2.0
109.10175	3.8
110.97565	0.8
115.05372	1.0
117.07014	1.5
119.08577	2.0
120.72859	0.7
121.06496	1.0
121.10161	6.1
122.07290	2.9
127.03928	2.5
131.08557	2.5
131.09605	0.7
133.10133	64.5
134.10536	0.8
135.08047	4.9
135.11679	0.8
137.09622	35.4
145.04970	0.7
147.11746	1.3
149.09679	1.3
149.13255	4.9
158.10942	0.8
163.14763	1.1
168.74719	0.8
173.13255	3.4
191.14311	35.9
192.14677	0.8
209.15381	2.3
237.02768	1.2
287.05460	1.3
295.85733	0.7
342.96628	0.7
371.13861	3.2
389.14755	3.4
409.39380	0.9
413.15497	7.4
431.15805	1.3
457.14709	100.0
457.24170	8.8
458.15170	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64394	0.4
69.26521	1.5
69.26935	0.9
71.05041	0.4
75.83683	0.4
81.03422	0.4
81.07051	1.6
85.02894	1.0
86.17503	0.4
88.59483	0.4
91.05479	1.4
95.04940	0.4
95.44769	0.4
105.07008	0.6
107.08547	0.4
109.06503	1.6
109.10216	0.5
117.43248	0.4
118.28775	0.4
126.80885	0.4
127.00053	0.5
127.03922	1.1
133.10098	0.6
139.03888	1.9
141.05266	0.4
153.01842	6.6
153.03041	0.6
163.23779	0.4
167.03236	0.6
169.01064	0.6
169.04753	2.3
179.03429	1.0
182.06372	0.5
184.03500	0.4
191.10410	0.7
191.14191	0.5
193.12047	1.1
199.03874	0.9
209.11514	2.1
209.15208	1.0
213.05659	0.4
217.04832	0.4
223.90955	0.4
227.05275	1.1
234.98965	0.6
243.04768	2.0
245.06387	1.1
271.04245	1.0
287.03784	5.5
287.06003	1.4
289.05304	3.9
303.05197	0.7
325.03693	2.4
325.12888	0.4
331.04465	0.7
347.48441	0.5
353.15686	0.5
369.11435	0.9
371.16840	3.0
395.16669	2.2
413.17834	16.0
439.15619	5.6
457.16779	100.0
458.17081	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09937	0.6
64.97027	0.6
68.99802	1.5
69.39811	3.3
69.86082	0.8
81.03431	1.8
85.02898	1.2
86.06080	2.3
97.02914	1.2
101.15331	0.7
109.02866	1.2
111.04482	1.0
123.08134	0.8
127.03922	2.0
132.57480	0.7
137.02354	15.7
137.03404	1.1
138.02682	7.8
139.03889	4.2
139.07318	0.8
141.07304	0.7
148.07591	1.7
149.07935	1.4
149.09650	0.7
151.03931	1.5
151.07352	0.7
153.01828	15.2
153.03046	1.4
155.03384	2.1
156.03806	1.1
171.04424	0.8
179.03371	2.3
191.10403	1.0
193.12001	6.6
199.03978	1.8
201.03670	1.5
203.03462	0.7
203.05281	1.4
209.04500	1.6
209.11531	2.6
227.05328	0.9
243.04739	4.7
245.04193	0.8
245.06453	2.2
251.36279	0.7
282.07016	1.9
287.03528	28.7
289.05325	7.8
299.07632	1.0
300.08026	2.1
305.06421	1.0
313.12717	0.9
329.44510	0.8
331.04565	1.2
355.13586	2.2
371.16760	1.8
399.12646	9.5
400.13159	0.7
413.17834	11.6
421.14056	1.3
432.63535	0.7
440.29062	0.7
457.11417	5.0
457.16785	100.0
457.23767	9.1
458.17087	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25991	0.6
56.57020	0.6
64.49616	0.6
69.61372	2.0
70.06587	0.7
71.32196	0.5
98.22717	0.9
127.03924	0.9
133.38278	0.7
139.03894	3.9
142.79700	0.7
151.03929	1.7
153.01817	5.4
179.03279	0.7
191.10471	0.7
203.05247	0.7
209.11493	2.4
245.06334	1.0
246.14189	0.9
281.13568	5.7
287.05444	2.7
289.05237	0.6
295.15152	1.0
323.14526	1.1
351.12958	0.6
371.16714	4.5
402.25204	0.6
413.17816	11.3
439.15421	3.8
457.16727	100.0
457.23788	22.2
458.16913	6.2
458.22592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
53.90998	0.3
55.01869	3.8
55.05515	0.5
56.19630	0.3
57.03434	3.1
57.07071	53.9
58.07409	0.6
60.37724	0.3
61.02920	3.1
61.18106	0.3
67.05493	0.3
68.99781	2.8
69.03423	11.1
69.07070	0.3
69.29130	0.8
69.29518	0.6
71.04989	2.7
73.02905	3.6
75.35050	0.3
79.05474	0.4
81.03410	11.0
81.07066	0.4
83.04948	0.3
85.02898	30.7
85.06535	39.5
86.03242	0.3
86.06898	0.3
87.00822	15.2
91.03941	0.6
91.05456	0.5
97.02883	15.1
98.03207	0.4
99.04448	4.8
101.02412	0.4
103.03934	1.0
103.05407	0.3
105.01858	8.0
105.07027	0.5
107.04922	0.5
107.08626	0.3
109.02873	10.1
109.06527	0.9
109.10150	0.4
115.03921	1.0
117.01794	1.5
117.05453	0.3
117.06998	0.3
119.08590	0.4
119.24384	0.3
121.06480	1.0
125.05989	1.2
127.03904	19.6
129.01845	3.2
131.04893	0.3
131.08524	0.5
135.08029	0.7
137.05968	3.3
139.07559	0.6
145.04953	7.8
145.06281	0.4
145.06532	0.4
145.10120	0.6
147.02902	1.8
149.05951	1.1
151.03909	0.4
151.07553	0.5
159.02869	7.2
160.05174	0.4
161.05980	0.5
162.06699	0.5
163.07527	8.8
163.11046	0.4
165.05484	2.4
167.06993	0.9
175.07555	1.1
176.04619	0.6
176.08249	0.7
177.05463	2.2
179.07014	0.7
187.07529	1.0
189.05432	0.5
190.06223	0.9
191.03415	0.8
191.07011	3.0
191.10625	2.5
203.06992	0.7
205.12231	6.8
205.57387	0.3
209.11705	100.0
210.12012	2.9
213.03947	0.5
215.07030	2.2
215.10617	0.9
217.12212	0.4
219.06662	0.4
219.10162	2.5
221.11717	3.4
227.06955	0.4
228.11597	0.3
229.08624	0.4
229.12097	0.3
231.04962	2.2
231.10002	0.4
233.08095	0.6
233.11708	11.2
234.12082	0.7
245.08102	0.3
245.11670	1.2
247.09836	0.3
247.13184	0.7
251.12790	9.1
256.07254	0.3
257.11591	0.9
261.11206	0.4
271.13293	1.4
275.12753	9.8
281.11816	0.3
287.12766	0.4
299.12772	4.2
317.13812	6.8
318.14133	0.4
359.14786	1.3
403.13748	1.9
439.15643	0.6
457.17053	0.3
457.23938	0.5
457.37018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1837
Annotation	2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.86331	2.2
53.94914	2.2
54.07748	2.3
55.05488	3.0
69.47496	6.9
85.02895	4.1
86.75462	2.4
93.07021	3.5
94.00011	2.4
95.08566	5.2
95.70184	2.7
96.22097	2.3
98.22737	5.2
100.55348	2.6
107.08559	3.0
109.10120	3.2
129.97887	2.5
133.10092	3.5
139.03856	11.4
147.06393	3.1
153.01761	3.8
166.74184	2.5
209.45773	2.6
457.18042	100.0
457.22873	10.1
457.36642	3.4
458.17810	6.1
465.57553	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.8
59.23749	1.3
64.64178	1.4
67.05531	3.5
69.03442	5.6
69.07061	1.9
71.05009	2.1
73.45097	1.3
79.05515	5.3
81.03446	2.4
81.07075	7.9
83.05001	4.6
85.02916	3.0
87.00824	1.4
87.04482	2.3
89.06027	9.2
91.05501	5.6
93.07059	6.0
95.04968	2.4
95.08605	8.8
97.02926	2.7
97.06547	1.5
99.08125	2.2
100.13003	1.3
105.07069	5.8
107.04985	1.5
107.08604	23.5
107.09266	1.9
109.06543	4.5
109.10136	9.4
111.08097	1.3
115.05441	1.8
119.08621	3.3
121.06551	1.8
121.10151	19.1
122.07295	3.8
123.08095	3.3
125.09698	4.0
127.03946	5.0
131.08568	3.0
133.08578	5.0
133.10130	100.0
134.10477	2.3
135.04451	3.6
135.08020	10.0
135.11716	3.3
137.09616	56.0
138.09996	1.9
139.11246	1.4
143.08516	1.4
147.11720	4.7
149.09654	3.3
149.13272	17.2
151.11183	24.6
151.12421	1.4
153.01828	1.6
163.14813	7.6
165.12776	3.0
173.13252	8.1
177.11192	1.7
191.14316	79.6
192.14764	2.5
195.96860	1.3
209.15367	40.8
222.22240	1.7
260.00729	1.7
326.62390	1.5
386.95770	1.4
389.14923	2.9
404.21347	1.5
413.15579	2.8
457.14691	34.8
457.20786	6.9
458.14789	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96661	0.5
55.05510	1.3
67.05502	1.9
69.03439	4.7
69.07069	1.9
69.30331	2.9
72.89465	0.6
79.05486	3.8
81.03426	1.0
81.07049	5.5
83.04977	1.8
85.02899	1.5
87.00864	0.7
91.04974	0.9
91.05465	3.8
93.07058	2.8
94.90987	0.6
95.04945	1.8
95.08600	1.5
97.02913	1.3
105.01878	1.3
105.07029	4.8
107.04948	2.7
107.08595	16.9
109.02850	1.0
109.06518	3.8
109.10141	5.3
115.05455	0.7
117.07025	1.6
119.06087	0.9
119.08578	2.6
121.06505	1.6
121.10137	8.6
122.07313	3.4
123.08086	1.3
127.03941	2.5
131.08559	1.9
133.10130	100.0
134.10445	2.8
135.08055	7.3
135.11705	1.5
137.09615	50.8
138.09947	1.2
145.05029	0.8
145.10156	1.1
147.11700	1.9
149.13271	7.8
158.10941	0.7
163.14828	2.2
173.13287	5.5
191.14310	55.0
192.14619	1.4
209.15378	3.2
221.66513	0.7
301.37091	0.6
457.14713	4.4
457.24265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60621	0.9
55.01875	3.4
55.05514	1.5
61.66974	0.9
65.03967	1.1
67.05497	3.1
69.03431	4.4
69.07066	13.1
71.05000	2.5
73.02940	1.3
75.70408	0.9
79.05509	2.6
81.03409	2.3
81.07056	3.6
83.04984	2.6
85.02917	4.1
87.00814	1.8
91.05484	4.6
93.07048	13.1
95.04989	2.5
95.08611	4.2
97.02877	2.7
97.06550	2.1
98.23621	1.7
99.04443	1.8
101.07938	1.1
103.18118	1.1
105.07027	4.2
107.08601	9.8
109.02848	2.0
109.06516	3.1
109.10167	2.4
111.00782	1.1
117.07033	1.5
119.08594	3.9
119.86835	1.0
121.06518	13.3
121.10165	8.1
123.04447	1.4
123.08070	2.5
127.03902	3.9
131.08574	4.2
133.10138	8.5
135.08049	6.8
135.11671	2.5
137.09610	2.6
139.03903	39.0
140.04272	2.3
145.04970	1.5
145.06508	2.5
145.10135	2.7
147.04422	1.1
147.11685	28.6
149.09641	3.5
149.13312	5.6
151.03934	2.3
151.11191	2.8
153.01825	7.9
161.09619	4.2
163.03905	2.0
163.11174	1.2
163.14882	1.5
165.09074	1.2
173.13226	7.3
175.07535	7.6
176.12029	1.2
179.03305	1.3
191.14313	100.0
192.14659	3.0
205.04932	1.2
209.15372	13.8
212.41673	1.4
287.05603	3.5
289.07230	6.6
368.39435	1.0
413.17648	1.9
457.16132	1.9
457.22885	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
67.05493	2.6
69.03446	4.6
69.40836	3.5
79.05495	5.2
81.07056	6.5
83.04986	1.7
83.08578	1.1
85.02905	2.6
87.00846	1.4
91.05482	5.5
93.07044	3.7
95.04998	1.6
95.08601	1.1
97.02872	1.1
105.07013	7.9
107.04964	3.3
107.08592	17.6
109.02869	1.8
109.06509	3.5
109.10172	5.2
117.07021	1.0
119.08572	2.3
121.06541	1.4
121.10131	11.6
122.07287	5.0
123.08093	2.1
127.03905	2.9
131.08592	2.9
133.10127	100.0
134.10504	2.2
135.08046	6.5
137.09612	50.0
140.69327	1.1
147.11655	2.1
149.09639	1.9
149.13258	9.8
163.14790	1.7
173.13248	5.0
191.14308	45.1
197.29715	0.9
209.15337	5.4
242.44644	0.9
457.24850	5.2
479.38358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01872	2.6
55.05507	0.9
57.03429	1.2
57.07084	0.8
61.20926	0.5
67.05507	1.5
68.99775	0.9
69.03429	7.4
69.06712	0.9
69.07065	14.2
71.04991	1.3
71.70501	0.5
73.02914	1.0
77.03886	0.5
79.05477	1.5
81.03412	3.4
81.07044	1.9
83.04971	2.3
83.08589	0.7
85.02907	4.9
87.00813	1.9
91.05459	3.9
93.07044	11.5
95.04965	1.6
95.08596	2.9
97.02890	2.5
97.06504	1.6
105.01863	1.4
105.07027	2.8
107.08591	8.8
109.02885	1.7
109.06509	1.3
109.10139	1.7
111.08100	0.8
118.18798	0.5
119.08601	2.6
121.06498	12.9
121.10135	8.2
123.08026	1.4
123.11674	0.8
125.09602	2.4
127.03874	3.2
131.08574	3.9
133.10124	5.1
135.08061	6.6
135.11670	2.5
137.09592	1.0
139.03886	17.2
140.04208	0.6
143.08517	1.0
145.04967	1.0
145.10141	2.1
147.11678	26.9
148.12019	0.8
149.09584	3.3
149.13246	7.1
151.03906	1.1
151.11176	0.7
153.01837	0.7
158.10872	1.5
159.02853	1.1
161.09619	4.5
163.03908	1.4
163.11203	0.8
163.14799	1.8
173.13237	8.7
176.11888	1.3
191.14297	100.0
192.14653	4.5
209.15355	10.5
213.58478	0.5
289.07062	3.4
436.53796	0.6
457.14514	2.0
457.21478	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	457.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.4
57.07076	31.6
57.20525	17.0
63.36436	17.0
70.06596	22.5
72.56079	16.8
75.41690	18.5
81.07047	21.0
88.07623	26.2
95.08594	31.8
102.09175	27.8
107.04980	16.2
125.05972	22.5
153.05432	27.4
155.82600	23.2
178.64009	17.2
200.20122	76.0
231.83664	19.2
233.36237	19.3
283.26254	68.7
284.26648	19.3
456.44250	100.0
457.44418	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	26.3
69.21403	94.3
88.07630	29.8
88.99149	13.7
102.09194	26.9
106.86017	15.2
108.69075	14.6
147.03055	14.1
151.07576	14.3
178.21530	14.8
183.17122	13.5
200.20103	94.2
283.26199	72.4
284.18881	19.0
371.28967	17.3
406.50128	15.8
451.98447	16.6
456.43832	79.4
457.23059	21.1
457.34976	100.0
457.44226	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	457.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
57.03440	1.1
57.51785	0.5
59.63048	0.6
62.64832	0.5
65.03941	0.7
67.05498	1.3
68.99793	1.0
69.03440	0.8
69.56587	0.5
71.44778	0.6
76.27528	0.6
79.01841	1.1
79.05482	1.2
81.03423	0.5
81.07056	1.2
83.05000	1.0
85.02900	2.0
86.09689	0.5
91.05492	0.8
91.56393	0.5
93.07050	0.8
95.04971	1.7
95.08621	0.5
103.03968	0.8
105.07063	1.4
107.04956	1.0
107.08604	1.0
109.02890	0.8
109.10155	3.1
111.04450	0.7
119.08603	1.3
121.10134	1.1
123.04417	1.0
127.03945	1.3
133.10176	0.7
137.06129	0.5
137.09622	2.4
139.03908	4.5
143.03394	1.0
147.08061	1.0
149.05922	0.6
151.03902	2.2
151.11261	0.5
153.01834	13.7
153.02998	0.7
161.09642	2.3
165.09120	1.8
171.04561	0.7
179.03401	1.0
179.10695	0.7
185.04311	0.9
189.09132	1.0
199.03970	0.9
203.05299	1.8
207.10159	1.5
209.11588	2.1
213.05504	0.6
217.05072	0.8
225.11253	0.7
237.11050	0.8
255.21196	0.7
277.17728	9.9
277.20544	0.8
279.19299	10.9
287.05551	4.8
287.42865	0.6
295.05814	0.6
295.18936	0.9
301.21402	0.7
305.06567	0.9
331.04480	0.7
359.09305	0.6
371.16806	3.5
413.17889	8.7
457.10785	4.4
457.16833	48.9
457.23981	100.0
458.17169	2.0
458.24295	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59428	0.6
56.25206	0.7
67.05502	1.0
71.11183	1.0
77.78687	0.7
81.70461	0.8
88.07639	1.4
102.09193	0.8
108.11110	0.8
110.59748	0.7
111.31327	0.7
151.07564	2.2
158.56116	0.8
167.11212	0.7
200.20105	2.4
204.40517	0.7
231.51276	0.8
266.84106	0.7
283.26288	2.4
284.26691	1.1
427.84427	0.8
456.43988	4.1
457.25534	100.0
457.34940	36.8
457.43951	4.6
458.25900	9.4
458.35355	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35323	0.9
53.78290	0.8
55.05512	0.9
57.07067	2.6
67.05491	1.6
69.66893	3.3
70.06585	2.5
71.08624	2.0
81.07069	1.5
84.09859	0.8
88.07644	5.7
95.08614	1.6
98.23479	1.4
101.13972	0.8
102.09179	2.8
163.07413	1.0
200.20044	9.6
201.20396	2.0
218.21124	1.0
283.26245	7.3
284.26730	3.8
338.03021	1.0
402.43335	0.9
410.69275	1.0
445.91321	0.9
456.44101	9.1
457.25598	100.0
457.44150	10.8
458.26102	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	457.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79131	2.7
52.22642	3.1
54.08359	2.3
54.53949	2.7
55.05495	3.2
67.05502	11.4
68.99784	4.7
69.07085	4.0
69.65536	11.9
72.41338	2.7
79.05511	5.8
80.94834	4.6
81.07053	4.8
91.05492	3.6
95.04966	12.7
95.08612	6.4
98.23445	4.5
105.07071	3.3
109.06503	3.8
111.70006	2.9
121.06494	3.9
123.04436	100.0
125.05944	4.5
126.03187	3.5
135.08012	3.5
137.05988	44.3
139.03905	13.1
141.05492	11.8
149.05983	43.5
152.80350	2.5
153.01839	2.9
153.05449	5.8
163.03851	6.1
163.07555	25.3
167.03352	4.6
168.01115	2.5
169.04959	40.1
175.07617	3.0
177.05484	4.5
177.09137	6.5
224.17488	2.8
268.81158	3.2
271.89594	2.8
397.23654	4.5
425.23260	12.2
439.24545	11.0
457.25845	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	457.2584
Annotation	3-Deoxymethylnimbidate
Peak:m/z	Relative Intensity
51.02396	0.3
53.03947	0.8
55.01875	0.8
55.05504	2.2
56.86861	0.3
57.07073	0.4
65.03936	2.0
67.05507	6.9
68.02637	0.3
68.99793	3.1
69.03426	0.6
69.07067	2.0
69.31542	0.5
69.31956	1.3
77.03915	0.5
79.05495	3.9
80.49184	0.3
81.03422	3.3
81.07053	5.7
82.04182	1.3
83.04973	0.8
83.08620	1.1
91.05502	2.2
93.03419	0.9
93.07034	2.2
95.04967	4.3
95.08614	4.0
97.06537	4.8
103.05469	2.1
105.03365	0.5
105.04533	0.7
105.07027	1.2
107.04948	3.5
107.08598	1.2
109.02859	0.5
109.06509	1.1
109.10146	1.7
110.03691	1.6
111.04438	4.2
113.06033	0.3
113.97152	0.3
115.05446	0.5
117.07024	1.6
119.04919	0.5
119.08586	0.7
121.06514	5.1
121.10130	0.9
123.04433	20.1
123.11689	0.7
124.04797	0.3
125.05993	68.2
126.06313	1.0
127.03921	8.4
129.06992	0.6
131.04932	1.1
131.08569	1.1
133.06503	1.0
135.04462	0.7
135.08080	1.7
135.11673	0.5
137.02347	32.4
137.05975	11.4
138.02719	0.6
138.06441	0.4
139.03903	3.7
139.07481	0.3
141.05495	1.0
144.60803	0.3
145.06479	1.6
145.10117	0.4
147.04405	1.8
147.08008	0.7
148.05113	0.3
149.05983	15.5
149.09595	1.6
151.03978	0.4
151.05052	0.7
151.07591	0.7
152.04659	0.3
153.05469	100.0
154.05804	1.9
160.05159	0.7
161.05971	3.7
161.13290	0.5
162.03087	0.3
162.06757	0.5
163.03932	1.5
163.07544	29.9
164.07867	0.6
165.05475	1.7
165.09187	0.5
167.07042	1.6
173.05968	0.9
173.09560	0.3
175.07542	2.5
177.09106	29.5
178.09535	0.5
179.07031	2.1
187.07509	0.5
189.09106	4.4
191.10658	3.3
193.04958	0.3
193.08572	0.4
201.09070	0.3
203.10649	2.8
205.12303	0.4
215.10658	0.7
217.12282	0.6
219.13791	0.5
231.13799	0.5
241.87477	0.3
243.06599	0.3
287.20007	0.5
299.20013	0.7
305.21155	1.6
317.20969	0.8
389.21045	0.4
407.22214	1.7
411.25201	0.4
421.23795	2.4
425.23193	7.4
426.23862	0.3
429.26413	0.6
439.24814	15.7
440.25021	0.9
457.25839	9.1
457.32013	0.7
458.26376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	6.8
58.80848	6.7
60.54089	6.5
63.66946	10.5
66.62212	7.9
69.66407	33.1
70.06612	8.6
98.23173	26.2
104.29839	6.9
140.09486	7.4
144.89885	7.8
151.07597	11.9
200.20100	12.4
243.75011	8.1
261.32675	7.0
277.14941	7.6
283.26212	17.3
405.72214	9.1
456.43982	23.9
457.27151	45.6
457.34875	100.0
457.41226	9.0
457.44272	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38691	1.5
55.00839	1.7
55.05501	5.9
57.03431	1.7
57.07061	4.3
66.82885	1.7
67.05503	8.0
69.07075	8.9
71.08618	3.2
79.05480	8.4
81.07043	7.3
87.02634	2.7
88.56310	2.0
91.05479	6.1
93.07016	3.6
93.54131	2.0
95.04998	3.7
95.08611	5.1
103.05425	4.3
105.07032	31.4
107.04959	2.5
119.05004	2.1
120.96635	6.8
121.06508	5.8
123.04442	17.7
124.05200	5.1
124.74343	1.9
125.05990	6.6
132.18005	1.7
133.06494	26.8
134.07292	11.4
135.08058	50.4
137.05966	17.5
139.07532	52.8
139.08557	3.1
144.45503	1.7
149.05984	5.2
151.07513	12.6
153.05475	17.7
163.07535	11.5
165.03690	22.3
167.05545	3.9
167.07034	100.0
177.09087	7.1
179.05278	7.4
191.10707	4.0
253.91750	2.0
257.08215	2.2
277.16196	16.5
295.17252	67.3
296.17773	2.2
337.27307	8.3
359.25470	2.6
425.26804	7.9
439.28366	4.4
452.36652	1.6
457.23312	18.3
457.29282	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	457.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58429	0.4
51.02380	0.4
53.03941	0.6
55.01858	0.6
55.05512	4.2
57.06814	0.6
57.07080	7.7
58.06586	0.6
58.21220	0.4
65.03929	1.8
67.01859	0.7
67.05199	0.5
67.05508	4.0
68.99776	1.2
69.03423	1.4
69.07073	4.8
69.42069	1.8
70.06594	4.8
71.06942	0.7
71.08628	4.0
73.02908	0.5
77.03944	0.7
79.05508	4.2
81.07061	4.6
82.04202	1.2
83.04981	1.2
83.08614	1.6
85.10180	1.4
87.38351	0.5
88.07627	7.4
91.05499	2.4
91.05984	0.4
93.03397	0.6
93.07037	1.2
94.04201	0.9
95.04969	3.9
95.08609	2.6
95.96374	0.4
97.06532	4.3
97.10180	0.9
102.09187	5.5
103.05484	1.1
103.09520	0.5
105.04523	0.8
105.07017	1.0
107.04960	6.6
109.06524	3.2
109.10186	0.7
110.03686	2.2
111.04438	6.9
115.05470	0.5
117.06999	0.6
119.04900	1.0
119.08556	0.7
121.06524	4.3
123.04431	7.8
123.08067	1.4
124.05208	2.9
125.05991	73.5
126.03147	0.6
126.06309	1.6
131.04938	1.0
133.06494	1.8
135.04517	0.5
135.05495	0.6
135.08081	1.4
137.05977	56.4
138.06328	0.7
139.03894	11.1
139.07536	8.3
141.05460	1.4
145.06531	1.1
147.04445	0.8
147.08069	0.9
149.06007	2.8
149.09628	1.1
151.05002	0.7
151.07545	20.5
153.05467	100.0
154.05798	2.3
161.05989	1.1
163.07541	17.5
165.05577	0.9
165.09155	1.2
167.07027	2.8
177.09108	15.4
179.07054	1.8
191.10693	1.5
193.08698	0.5
200.20090	17.1
201.20444	4.9
218.21123	2.3
219.21490	0.5
227.06989	0.6
228.09348	0.5
243.06522	1.0
249.28117	0.4
257.08084	3.6
258.08936	0.6
259.09689	1.1
265.74066	0.4
271.09781	0.8
273.82837	0.4
275.09119	1.0
283.26312	15.9
284.26654	7.4
305.24762	1.4
316.15237	0.5
317.24765	3.5
331.26337	0.5
407.25732	1.3
425.26889	7.3
426.27277	0.5
429.30368	0.5
439.28461	17.0
440.28973	0.9
456.44107	19.0
457.29495	37.2
457.44394	20.4
458.29767	2.4
475.86118	0.5
477.84750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2947
Annotation	14-Methoxyamentol chromane
Peak:m/z	Relative Intensity
55.05499	3.9
57.07074	5.4
58.05940	0.6
63.25078	0.6
63.98442	0.6
65.03930	1.8
67.05499	4.5
68.99780	1.0
69.03407	1.0
69.07072	2.9
69.32849	2.9
70.06590	5.3
71.08639	4.0
73.02905	0.9
77.03932	0.9
79.05492	3.2
81.07062	3.4
81.56184	0.5
82.04214	1.5
82.94533	0.8
83.08617	1.9
85.10172	1.3
88.07635	6.9
91.05463	2.3
93.07044	1.1
95.04965	3.7
95.08608	2.3
97.06551	3.1
102.09190	5.7
103.05460	0.7
105.04513	0.7
107.04969	5.1
109.06506	1.8
109.10168	0.9
109.44487	0.6
110.03661	2.3
111.04443	5.8
115.05563	0.6
117.07030	1.1
119.01891	0.7
121.06497	3.8
123.04432	7.0
123.08048	0.7
124.05193	2.2
125.05989	66.9
133.06485	1.6
135.08046	1.8
137.05974	54.6
138.06331	1.2
139.03891	13.1
139.07513	8.3
141.05455	1.3
145.06445	0.8
147.04393	0.9
147.08105	0.7
149.06013	4.0
149.09576	1.2
151.04001	0.6
151.07542	20.8
153.05461	100.0
154.05827	2.1
161.05998	2.1
163.07541	16.7
164.03624	0.7
165.05499	1.5
167.07033	3.1
175.04539	1.2
177.09103	15.3
179.07033	2.3
191.10677	2.1
200.18243	1.1
200.20090	19.9
201.20428	5.7
218.21159	2.4
236.90421	0.8
241.08617	0.9
243.06572	1.1
257.08087	3.7
257.76733	0.6
259.09692	1.7
271.09546	0.7
273.11224	1.1
275.09097	1.1
283.26306	16.6
284.26617	8.3
285.11246	0.8
298.15442	0.7
305.24841	1.3
307.00272	0.6
317.24710	4.0
337.27563	0.9
381.79761	0.6
407.25793	1.7
408.46368	0.7
425.26776	8.3
439.28412	17.9
440.28909	0.7
456.44141	22.8
457.29449	44.9
457.44370	22.4
458.29706	2.3
480.89063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2951
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
53.03938	0.9
53.30862	0.7
55.05521	4.2
57.07086	1.7
58.31201	0.8
63.91983	0.8
66.15216	0.7
67.05502	4.9
69.07069	5.7
69.32929	2.9
69.33335	1.8
71.08624	1.1
79.05492	5.1
81.07051	5.3
82.24433	0.7
83.08603	2.0
91.05475	3.5
93.07037	2.0
95.04945	1.8
95.08611	2.7
96.05764	1.0
97.06532	1.0
97.10161	1.0
98.23450	1.8
103.05470	1.6
105.07038	10.1
106.07826	1.4
107.04960	2.9
107.08553	1.3
109.06496	2.8
111.05756	0.8
111.08067	2.3
120.96653	2.4
121.06493	3.2
121.10146	1.1
123.04430	18.9
124.05228	5.2
125.06003	9.4
127.28371	1.0
131.08514	0.8
133.06483	7.0
134.07330	4.9
135.08047	16.2
137.04323	1.2
137.05972	18.7
139.07539	57.3
140.07918	1.3
145.06403	0.8
149.05989	5.5
150.81168	0.9
151.07550	7.1
153.05455	14.7
155.06958	1.0
163.07541	10.0
165.03703	6.2
167.07037	100.0
168.07356	2.3
175.07576	0.9
177.09100	8.8
179.05238	1.1
181.08621	1.1
191.10661	2.7
195.00322	1.3
209.87190	0.8
212.93762	0.8
257.07974	1.0
277.16171	4.6
295.17261	20.6
303.23267	1.9
337.27347	5.6
359.25763	1.9
425.26794	9.6
438.53650	1.2
439.22849	0.9
439.28220	4.4
457.23355	9.1
457.29404	5.3
458.23395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2951
Annotation	14-Methoxyamentol chromane
Peak:m/z	Relative Intensity
52.16169	0.4
54.90669	0.4
55.05517	2.1
55.07919	0.4
57.07060	0.8
65.03931	0.4
67.05511	2.5
68.11165	0.5
68.99783	0.8
69.07061	2.0
69.44805	1.3
69.53977	0.4
79.05491	2.4
81.07061	3.3
83.01311	0.7
83.08631	0.9
85.02910	0.4
90.42072	0.4
91.05478	1.7
93.07043	0.9
95.04960	1.8
95.08604	1.1
96.05747	1.3
97.06480	0.6
101.86523	0.4
105.07025	0.8
107.04956	2.5
109.06501	1.9
110.03656	0.6
111.08056	2.7
117.06994	0.6
121.06497	2.0
123.04433	15.5
124.05227	5.4
125.05991	8.4
131.08580	0.5
135.08064	3.0
137.05981	19.3
138.06339	0.6
139.07542	54.7
140.04659	0.6
140.07841	1.1
145.06494	1.1
147.08032	0.5
149.05980	5.5
151.07523	3.6
153.05473	17.3
155.06989	0.7
159.08069	1.3
163.07545	12.2
163.08897	0.8
163.11179	0.6
165.09174	0.5
167.07037	100.0
168.07425	2.0
175.07516	0.6
177.09108	9.1
178.73036	0.4
181.08582	0.8
191.10684	3.4
205.12311	0.5
247.40433	0.5
257.08035	1.6
259.09653	0.6
285.11203	0.5
292.14868	0.4
295.76337	0.4
301.18500	0.4
303.23120	1.7
326.14966	0.4
337.27771	0.7
411.28683	0.5
425.26874	8.3
426.26981	0.7
439.28448	3.9
457.24411	0.6
457.29587	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	457.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.5
57.07070	1.8
63.34684	0.9
67.05527	4.7
69.03420	1.9
69.07066	6.5
70.06544	1.0
71.44887	1.3
73.27045	0.8
76.12041	0.9
79.05499	1.0
81.07059	6.5
81.91642	0.9
83.05003	1.4
83.08617	4.3
85.67529	0.9
88.07622	1.4
91.05477	1.5
93.07039	3.8
95.04982	1.1
95.08604	8.5
97.10185	1.6
105.07030	1.7
107.08625	4.5
108.92699	1.0
109.10155	7.9
111.08089	1.2
111.11757	1.9
119.08584	4.9
121.06512	1.0
121.10166	6.2
122.07294	1.5
123.08092	2.1
123.11708	2.0
129.72507	0.9
133.10114	1.8
135.11710	2.2
137.09613	11.9
137.13242	1.3
145.10146	1.2
149.09663	1.2
149.13300	2.5
153.09119	2.8
157.10156	1.1
163.11255	1.4
165.09122	100.0
166.09464	2.6
179.39217	0.9
187.14757	1.8
200.20122	1.6
203.14307	1.4
203.18069	1.3
207.13890	1.3
223.16969	1.8
293.24765	22.2
294.25125	1.3
305.21555	1.0
305.24744	20.6
306.25122	2.5
421.34518	5.4
439.36191	5.6
457.32236	7.3
457.37595	1.2
457.44550	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	457.3315
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
50.08828	2.3
55.05502	6.1
57.07068	3.9
67.00208	1.8
67.05500	13.9
69.07066	20.9
69.53743	8.3
71.08625	27.4
71.08974	2.1
79.05511	9.2
81.07058	20.6
83.05029	3.9
83.08628	8.4
91.05475	14.4
93.07040	31.9
93.07602	2.6
95.04991	4.5
95.08607	10.4
97.06564	2.6
97.10178	4.5
99.08099	25.1
105.07021	18.6
105.07530	1.9
107.08591	28.1
109.06535	3.4
109.10143	14.1
111.04456	7.3
115.42033	2.0
119.08590	11.1
121.06560	6.4
121.10192	4.5
123.04483	4.0
123.11729	3.7
125.06035	7.6
127.11196	2.2
129.07022	2.7
131.08539	12.3
133.10146	5.0
135.08080	3.0
135.11748	9.5
137.05981	5.3
139.03914	14.2
141.68829	2.3
143.49979	2.2
145.10168	13.0
147.08134	4.1
147.11676	2.9
149.05963	3.1
149.09689	2.5
151.07552	3.3
153.05463	14.9
157.10162	5.7
159.08032	3.0
159.11719	4.8
163.07536	4.9
163.11209	2.9
165.05519	3.5
165.09172	3.4
171.08134	5.9
171.11716	4.5
171.55864	2.2
173.09602	4.2
173.13268	3.3
175.07587	3.1
177.05606	2.4
177.09216	3.5
179.07094	3.1
183.11780	3.1
187.07591	3.9
187.11165	3.1
187.14944	2.8
189.09102	2.6
191.07124	4.6
197.13345	4.3
201.09157	3.8
243.13857	5.4
243.19629	3.3
273.83078	2.6
321.20520	3.1
335.22198	4.7
369.31503	3.4
371.26025	6.4
383.33182	2.7
387.32510	3.2
389.26642	4.0
393.31903	3.7
401.34262	7.6
411.32599	17.9
421.31210	5.1
429.33728	6.1
439.32080	74.0
440.32587	5.6
457.33279	100.0
458.33548	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	457.3681
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03939	0.8
55.01868	0.7
55.05511	6.9
57.03430	1.2
57.07074	4.4
65.03944	1.6
67.05500	11.1
69.07072	10.9
69.81064	1.5
69.81413	0.8
71.08630	4.5
77.03957	0.7
79.05487	5.4
81.00043	0.7
81.07056	18.3
82.07424	0.8
83.04982	1.7
83.08619	6.5
85.06546	1.1
89.06026	6.3
91.05482	7.8
93.07049	17.6
95.04962	3.2
95.08606	29.4
96.15661	0.6
97.06528	2.3
97.10159	3.1
103.05461	0.8
105.04551	1.3
105.07025	8.8
105.07653	0.9
107.04985	1.2
107.08051	0.4
107.08596	16.1
109.06519	3.0
109.10158	17.9
111.04445	0.8
111.08092	2.3
111.11729	2.1
117.07018	0.8
119.08582	12.2
120.96626	5.0
121.06521	8.8
121.10146	18.3
123.04509	1.1
123.08085	3.6
123.11702	12.1
125.05994	10.0
125.09666	1.6
129.07028	1.1
131.08583	3.6
133.06531	0.7
133.08595	3.4
133.10130	7.0
135.08075	3.2
135.11688	7.2
137.05980	14.2
137.09583	1.9
137.13249	3.7
139.03891	1.9
139.07532	0.9
139.11186	0.8
142.07803	1.0
143.08571	2.0
145.06502	0.7
145.10106	6.1
147.08096	1.7
147.11694	6.3
149.09590	1.5
149.13234	3.7
151.07539	2.5
151.11168	1.3
151.14799	1.2
153.05464	13.4
153.06691	1.1
156.09346	0.8
157.10136	2.6
158.10919	0.9
159.08066	0.8
159.11676	5.4
161.13260	8.9
163.07576	3.4
163.11211	1.1
163.14838	2.5
165.09151	2.6
165.12788	1.6
165.81537	0.6
171.11707	3.1
173.09695	0.7
173.13277	5.3
174.98607	0.6
175.11253	0.8
175.14804	3.5
177.09114	2.1
177.12762	0.9
177.16383	2.7
179.14342	0.9
183.11699	1.1
185.13249	2.0
187.14755	5.1
189.12762	1.3
189.16391	2.4
191.10765	0.9
191.14330	2.5
191.17944	3.0
195.00340	1.6
196.12482	0.8
197.13239	1.1
199.14931	1.1
201.16423	1.0
203.14302	1.5
203.18031	1.1
205.19543	2.3
209.11687	1.2
211.14955	0.9
213.16298	1.0
215.14336	1.4
215.18025	1.5
217.15907	2.2
217.19510	1.1
223.14600	0.7
225.16277	0.8
229.15907	1.5
229.19513	1.3
231.17285	1.0
239.17979	0.9
241.19519	0.7
247.20630	0.8
255.21152	1.2
257.19089	0.8
257.22748	0.8
265.19464	1.0
283.20810	0.9
283.24191	0.9
291.23434	0.9
301.17786	0.7
315.17996	10.5
325.25241	0.8
337.27328	6.6
359.25729	1.5
377.31973	1.0
393.35098	2.0
395.33093	13.0
403.33295	0.9
411.36334	1.3
421.34790	7.3
425.26657	1.0
435.18350	0.7
439.35721	100.0
440.36044	6.2
441.32153	4.7
457.16431	2.2
457.23206	20.9
457.29547	5.3
457.36584	16.7
458.23553	1.9
458.36841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Bacosine
Peak:m/z	Relative Intensity
55.01880	2.0
55.05510	3.9
57.07078	4.7
57.16759	1.0
65.03951	1.3
67.05501	10.2
68.99786	2.3
69.07067	10.9
70.68894	1.6
71.04958	1.3
71.08634	2.8
79.05495	6.1
81.07059	17.8
83.08633	3.9
85.02923	3.0
85.10194	1.3
89.06042	4.6
91.05473	5.5
93.07046	12.4
95.05006	2.2
95.08607	26.8
97.06540	3.6
97.10187	1.4
99.08125	1.9
105.07032	18.6
107.08599	17.2
109.06536	2.3
109.10155	21.2
111.04480	1.2
111.08087	18.7
111.11719	3.0
113.06010	1.2
119.08574	13.3
121.06539	5.7
121.10149	100.0
122.10459	2.1
123.08075	11.3
123.11701	14.4
125.06020	2.4
125.09662	3.2
131.08630	2.2
133.06549	2.4
133.07622	1.4
133.08641	3.0
133.10114	9.9
134.07286	1.7
135.08095	6.7
135.11673	11.1
137.05998	2.0
137.09612	7.3
137.13275	8.0
139.07564	3.4
139.11151	1.8
143.08548	1.7
145.10149	4.1
147.08093	1.3
147.11679	15.7
149.09650	1.5
149.13264	7.4
151.07587	1.7
153.09064	1.4
157.10167	1.4
159.11665	5.6
161.13280	4.5
163.11162	5.5
163.14839	2.8
165.03743	2.9
165.09114	7.9
165.12749	29.5
167.10660	2.3
171.11725	1.4
173.13260	4.7
175.14894	3.7
177.09125	1.3
177.12700	1.3
177.16356	5.2
179.14275	2.0
180.53670	1.1
183.13795	8.2
185.13345	1.1
187.14871	4.1
189.12784	1.4
189.16469	2.4
191.14325	1.4
191.17940	1.5
193.15732	1.2
199.14938	1.3
201.16403	1.5
203.14259	2.1
203.18028	2.2
205.15913	2.0
205.19510	5.5
213.16479	1.0
215.14331	1.2
215.17993	1.8
217.19453	1.3
229.19576	2.4
233.15396	1.9
243.21234	1.9
247.20706	1.2
257.22733	2.8
271.24335	1.8
275.23682	17.9
277.16196	1.2
285.22379	1.2
295.17340	5.7
295.20273	1.0
301.25150	1.9
303.23093	5.6
315.18008	6.4
317.24722	1.7
337.27542	1.4
393.35370	1.5
411.36313	2.8
421.34750	5.3
439.35776	21.5
440.35983	2.0
441.32178	1.4
457.23267	3.1
457.36816	47.3
458.37357	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	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03943	0.8
55.05509	2.7
57.07072	1.9
60.76111	0.7
60.90073	0.6
67.05514	6.1
69.07066	5.6
69.57346	1.3
69.57735	1.1
74.24694	0.6
79.05506	4.2
81.07055	7.2
83.08629	2.7
85.06528	1.1
91.05477	8.2
93.07045	10.1
95.04964	3.0
95.08609	15.1
97.06530	0.8
97.10196	1.1
99.08087	5.4
105.04525	2.0
105.07023	5.0
107.04987	1.5
107.08597	11.1
109.06507	1.9
109.10151	7.2
111.08081	1.4
117.07030	2.1
119.08577	11.2
121.06509	62.4
121.10149	12.8
122.06834	1.2
123.04441	1.2
123.08067	17.3
123.11706	7.6
125.05964	1.1
125.09633	4.0
131.08591	2.4
133.06493	1.9
133.10146	4.7
135.08054	10.4
135.11713	3.5
137.05951	1.1
137.09615	2.1
137.13263	1.5
139.03937	0.7
139.07539	8.3
143.08539	1.0
145.10136	4.7
147.08020	3.5
147.11690	2.5
149.09621	21.1
149.13239	1.2
153.05479	0.8
157.10130	2.0
159.08051	11.1
159.11697	8.0
161.09615	14.6
161.10858	1.3
161.13246	2.4
163.11194	1.3
165.09082	2.1
167.07018	1.6
169.10107	0.9
171.11700	2.1
173.09628	6.9
173.13235	6.0
174.10501	0.6
175.11249	4.0
175.14832	0.8
177.12769	2.4
177.16444	0.8
183.11691	2.1
185.09586	1.1
185.13257	0.9
187.11183	8.3
187.14767	1.6
189.12733	11.4
191.17940	1.8
197.13097	0.7
199.11192	2.4
199.14874	1.7
200.11974	7.4
201.12737	13.5
201.16315	3.1
203.14285	1.1
206.24789	0.7
213.12790	3.8
213.16425	0.8
215.14305	0.8
215.17928	3.7
225.16356	2.5
227.18082	1.1
228.15125	5.3
229.15816	1.1
230.15089	0.7
236.44591	0.7
243.17444	56.1
244.17810	2.4
246.78157	0.8
249.18460	3.0
261.18500	100.0
262.18896	3.8
263.20111	1.1
274.51608	0.7
283.20554	0.9
291.65558	0.7
301.21863	1.6
329.24728	1.7
343.26056	1.3
364.21918	1.0
403.33640	0.8
421.34668	5.9
439.35712	40.8
440.36072	2.8
457.30975	0.7
457.36954	11.5
458.36887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
50.48309	1.5
55.05505	2.8
57.07068	2.4
59.45124	1.5
65.10055	1.5
67.05500	7.0
69.07068	6.6
69.20714	9.0
79.05482	3.5
81.07058	15.6
81.95661	1.6
83.08640	2.2
85.79247	1.5
91.05479	2.1
93.07015	11.1
95.08601	16.8
98.23497	3.9
105.07033	12.4
107.08585	12.7
109.10136	18.1
111.08088	33.5
111.11719	3.8
114.06269	1.5
115.34264	1.6
119.08565	7.6
121.10144	100.0
123.08081	13.1
123.11688	16.4
127.02155	1.8
133.07686	1.9
133.10130	4.9
135.11673	6.3
137.09598	8.0
137.13269	5.7
145.10103	2.1
147.11671	10.8
149.13251	3.7
151.11221	4.1
159.11678	5.0
161.13264	1.9
163.14787	2.1
165.09073	4.9
165.12741	23.8
177.16423	2.3
181.96477	1.8
183.13799	4.6
200.20164	3.5
203.10712	2.9
217.19229	1.9
229.19539	2.1
233.15416	1.9
264.15912	1.6
275.23724	20.0
421.34497	5.3
439.35767	42.9
440.36096	2.8
457.36429	37.0
457.44415	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.2
57.03437	2.5
57.07076	21.2
58.07396	2.2
64.52802	1.6
67.05499	17.6
69.07063	13.0
69.58773	4.8
70.06587	11.9
70.43067	1.5
71.06880	1.6
71.08624	7.3
79.05488	13.4
81.07053	47.1
81.07512	3.5
83.08610	7.4
83.71083	1.7
85.10164	2.0
88.07626	14.9
89.07944	2.3
91.05473	13.0
93.07035	28.6
95.04971	1.8
95.08601	47.9
97.06538	2.8
97.10152	5.1
99.08062	3.3
102.09171	10.6
103.09488	2.9
105.07020	20.9
107.08584	50.8
109.06515	3.1
109.10152	40.1
111.08059	2.7
112.41629	1.8
115.75977	1.5
117.06997	3.0
119.08572	44.6
121.09268	2.8
121.10139	50.2
123.08070	5.6
123.11698	100.0
124.12038	2.4
125.06007	3.2
131.08549	20.0
133.10130	29.2
135.08058	4.5
135.11687	33.2
137.05923	2.7
137.13249	10.3
139.07533	2.2
143.08551	2.5
145.10123	24.6
145.94545	2.0
147.08049	4.1
147.11705	15.6
149.13199	9.2
151.11191	4.9
153.05429	4.3
157.10100	3.0
159.11664	20.5
161.13255	23.1
163.14787	8.3
165.09113	1.9
165.16365	3.7
169.12250	2.1
171.11632	2.9
172.42215	1.7
173.13225	27.3
175.14809	9.6
177.16367	2.7
179.14291	31.1
181.12169	2.1
185.13271	3.6
186.14049	13.3
187.14812	18.3
189.16380	3.8
191.14294	28.6
191.17999	1.7
193.15932	3.0
197.15372	3.5
199.14789	12.7
200.15779	1.7
200.20097	30.4
201.16451	8.1
201.20464	12.1
205.15866	5.9
207.17421	2.7
209.13667	1.9
209.15320	11.8
211.16931	2.0
213.16426	3.8
214.17130	15.0
215.17950	9.2
216.98134	1.7
218.21249	3.3
224.69904	1.9
227.17844	2.3
229.17191	3.8
229.19490	78.3
230.19853	3.5
231.21060	2.3
241.19536	1.8
243.21068	3.6
247.20543	29.7
257.22549	2.8
267.70627	1.8
271.24197	6.0
274.27914	1.7
277.21622	3.7
283.26282	18.0
284.26666	19.2
289.21558	13.5
289.24774	3.3
303.23245	4.5
305.24731	2.4
315.23178	2.1
317.24695	2.9
343.26263	2.9
397.31015	2.2
439.35703	48.8
440.35861	4.2
456.44043	5.9
457.36707	22.7
457.44324	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
53.03940	3.0
55.05502	16.2
57.03429	5.1
57.07073	7.7
65.03922	2.1
66.82774	1.7
67.05500	22.0
69.03428	2.3
69.07064	21.3
71.04998	15.8
73.02903	2.7
75.22041	1.7
79.05493	20.8
81.06570	3.4
81.07053	65.6
83.04970	2.6
83.08625	8.9
85.02901	26.6
85.06514	2.9
87.43509	1.9
91.05476	26.9
93.07043	52.9
95.04971	4.8
95.08602	100.0
97.02905	3.7
97.06501	3.4
97.10172	8.6
97.84135	2.0
105.07020	47.7
107.08587	66.6
109.06535	4.7
109.10147	54.8
111.04390	3.0
111.08103	4.3
111.11726	2.6
115.03938	3.0
117.07008	5.4
119.08574	45.5
121.06536	2.6
121.10133	53.4
123.08060	4.7
123.11710	24.1
128.06320	3.7
129.05502	9.3
129.06985	10.5
131.08560	31.3
131.09470	3.0
133.04973	2.7
133.10117	34.7
135.08040	3.4
135.11685	48.8
136.12016	2.5
137.09657	2.3
137.13235	12.6
139.03880	2.3
142.07825	4.3
143.08556	16.4
144.09377	3.0
145.10114	45.6
147.06541	2.3
147.08005	3.2
147.11674	32.0
149.09618	5.6
149.13251	45.8
150.13599	2.0
151.11150	2.5
155.08578	2.8
156.09349	3.1
157.10112	23.3
159.11682	27.2
161.09651	3.6
161.13251	21.1
163.11147	3.1
163.14821	13.3
165.12756	4.4
169.10138	4.3
171.11703	13.6
173.13249	28.9
175.11162	6.8
175.14807	16.7
177.12819	4.9
177.16367	5.3
179.14323	5.3
183.11694	4.4
185.13240	9.2
187.14816	23.9
189.12767	4.9
189.16348	17.2
191.14282	14.3
191.17931	72.9
192.18321	2.8
193.15947	5.6
195.13838	2.4
199.14838	17.2
201.16357	29.1
203.14330	15.9
203.16280	3.4
203.17929	24.8
203.19640	2.8
205.15918	7.9
205.19518	26.3
207.17477	4.3
209.15451	5.5
211.14813	2.6
213.16396	16.5
215.14375	1.9
215.18033	6.3
217.15837	16.9
217.19490	9.5
219.17430	18.2
221.15416	4.3
227.17876	3.1
229.15913	4.8
229.19527	7.6
231.17470	18.6
231.21107	8.7
233.15338	3.6
235.16911	8.6
243.21043	5.7
245.22635	4.9
247.16905	11.9
249.18567	12.9
257.22653	3.1
265.17950	27.5
391.33450	3.8
395.33365	2.1
409.34521	11.1
413.33945	2.2
421.34564	14.3
427.35751	10.4
439.35648	28.3
442.04770	2.3
457.23267	3.5
457.36740	97.6
458.36914	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	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68813	2.5
55.05495	8.8
57.07074	4.9
57.56912	3.0
67.05502	16.0
67.86369	2.4
69.07059	11.0
71.08612	2.6
79.05490	7.0
81.07056	23.7
83.08598	6.9
91.05463	8.2
93.07059	17.5
95.08036	3.7
95.08614	52.6
97.10162	3.3
105.07008	16.7
107.08604	28.5
109.06490	4.2
109.10152	35.3
117.07030	3.7
119.08569	30.2
121.10155	32.3
123.08073	26.4
123.11679	15.7
125.09646	4.9
131.08559	9.0
133.10124	29.4
135.08044	3.8
135.11729	13.9
137.09676	4.6
145.10149	17.1
147.11668	24.2
149.09631	3.8
149.13249	6.2
153.64565	2.7
157.10118	7.1
159.11681	19.0
161.09575	3.0
161.13322	15.8
163.14743	3.6
164.92058	11.3
169.10130	3.6
171.11673	12.2
173.13280	12.7
175.14854	13.1
177.16296	5.6
183.11665	4.2
185.13152	3.5
187.14824	10.4
189.16383	9.7
191.17931	4.9
199.14754	4.5
201.16394	16.3
203.17999	7.8
205.15863	4.0
205.85825	2.7
207.17410	4.1
212.26796	3.3
213.16272	2.7
215.17944	8.1
217.15793	3.8
217.19592	4.8
219.17436	100.0
220.17612	3.8
227.17952	3.1
229.19592	12.3
235.17021	5.2
243.45445	2.6
247.20593	8.4
249.18536	3.6
267.21051	6.1
285.22049	11.0
325.25256	10.3
343.26297	8.2
403.33728	10.2
421.34750	18.3
439.35910	31.5
457.23010	11.4
457.31815	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31653	0.8
53.03940	0.9
54.53140	0.8
55.01871	1.8
57.03404	1.1
60.81930	0.8
63.36100	0.9
66.61060	0.8
67.05506	1.0
69.03421	3.5
69.07065	15.4
70.57492	1.8
71.04980	2.7
71.30251	0.8
73.02909	1.7
79.05486	1.4
81.03411	1.5
81.07058	1.4
85.02917	10.2
87.00848	3.1
91.05473	1.5
97.02905	3.1
99.04449	1.4
103.03926	1.0
105.01867	3.1
107.04942	2.2
109.02880	2.0
109.06503	2.0
123.04298	1.1
125.05980	7.4
127.03954	5.7
129.01878	1.0
131.83244	0.9
137.05974	62.1
145.04970	3.5
159.02931	1.1
161.06052	1.0
179.07033	1.3
193.12236	100.0
194.12614	2.7
217.12204	6.8
231.04985	1.8
235.13339	3.6
259.13300	3.3
283.13422	1.3
301.14316	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84759	0.3
55.01871	0.7
55.05506	0.4
65.03950	0.8
67.01866	0.6
67.05513	1.6
69.03418	0.7
69.07068	8.1
69.48067	1.2
71.04971	0.5
77.03934	0.3
79.05499	2.1
81.07057	1.3
85.02901	1.3
91.05466	1.8
94.04182	0.4
95.04962	1.3
97.06529	6.1
105.04521	0.4
107.04943	1.0
109.06500	1.4
115.07586	0.3
123.04395	1.6
137.05972	100.0
138.06299	2.5
139.03897	15.7
140.04230	6.7
141.05476	1.1
142.05812	0.5
151.03899	7.2
151.05040	0.7
152.04236	3.7
152.05397	0.5
153.01871	0.9
155.08542	0.9
159.08028	0.3
161.05989	0.6
163.07524	1.8
164.04257	0.4
165.04091	0.4
165.05493	5.5
165.06969	0.8
173.06218	0.3
174.06737	0.9
175.07509	1.1
177.05476	1.5
177.09048	0.4
177.32103	0.3
182.07315	0.4
183.05185	0.4
183.06526	3.5
183.08080	0.9
184.08813	0.6
185.05965	0.5
187.07539	1.1
187.11189	0.6
189.09125	0.8
191.07047	1.9
191.10683	0.3
194.07254	0.8
197.09618	0.7
200.08302	1.3
201.09224	0.8
201.66345	0.3
203.06905	0.6
205.05043	0.6
207.06604	0.5
210.06760	1.3
211.07613	0.9
212.08240	0.4
213.09081	0.4
215.07092	1.1
215.10661	16.5
216.10869	0.4
217.08621	2.7
217.12186	0.8
219.06558	0.6
219.10159	2.1
225.06897	0.7
225.09099	10.3
225.11279	0.6
226.09467	0.6
228.07832	1.2
233.11736	2.2
243.10164	15.5
244.10484	0.6
261.11218	29.2
262.11551	1.0
279.12262	20.0
280.12592	1.0
458.16428	0.6
458.24197	1.6
459.18207	0.9
459.24734	0.5
474.12448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
57.03452	0.8
57.07073	0.7
59.05000	2.3
67.05512	4.4
68.23785	0.6
69.03436	4.5
69.07061	2.8
69.70202	2.3
71.04990	0.9
73.02911	1.6
73.06545	4.0
79.05497	1.5
81.03432	1.4
81.07066	4.0
81.27422	0.6
83.04984	2.7
83.08635	1.6
85.02909	4.2
85.06517	0.8
87.00835	1.8
87.04473	31.3
89.06036	100.0
90.06361	1.0
91.05490	1.3
93.07045	3.2
95.05008	0.9
95.08604	8.4
96.11451	0.7
97.02901	1.5
99.04504	0.8
105.01862	1.0
105.07056	2.0
107.07085	1.2
107.08597	6.8
109.02864	1.0
109.06536	2.7
109.10165	21.1
111.08111	0.8
113.06024	1.0
117.09138	3.0
119.08584	9.4
121.10123	4.1
123.08048	3.5
123.11742	1.4
127.03918	2.5
130.08664	1.1
131.07039	6.9
133.08612	58.2
133.10077	6.4
134.08983	1.4
134.10503	1.8
134.12404	0.7
135.11696	22.7
137.09639	4.3
139.11200	0.9
145.04977	1.0
149.13281	2.5
151.11205	3.1
151.14818	2.3
152.11487	0.8
174.05504	0.9
175.09686	6.5
175.14836	10.1
177.11244	15.3
191.14342	2.1
192.14680	3.2
193.15897	16.1
193.17551	1.3
209.15416	1.1
210.15750	1.2
211.16934	17.1
219.12354	1.9
221.13853	2.3
284.40302	0.7
458.15015	4.4
458.29730	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	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89350	0.9
53.03910	1.0
53.50922	0.9
55.05488	2.2
57.03425	1.0
57.07077	53.9
58.07409	1.0
59.05004	1.5
62.84339	0.8
67.05499	1.6
69.07067	2.6
69.12977	2.0
69.13387	4.3
73.02920	1.4
77.03947	1.9
81.07076	2.0
87.04474	9.7
89.06035	15.6
91.05472	5.9
93.07057	12.1
95.04974	3.9
95.08611	1.4
98.23501	1.8
103.03944	100.0
103.05447	3.2
105.04508	1.5
105.07033	3.0
107.08569	1.8
109.10186	1.2
113.13292	1.7
118.07835	2.3
119.04930	1.7
119.06977	0.9
119.08587	3.4
120.96627	2.4
121.06505	51.9
121.10094	1.1
122.06796	0.9
133.06494	1.3
133.08604	6.3
135.08052	3.4
135.11700	1.4
147.06548	9.1
147.08005	6.2
149.09639	3.5
150.06750	1.7
159.11748	1.2
163.09727	1.1
165.09114	19.3
177.09117	1.3
183.10205	3.5
191.09114	1.7
197.11697	1.5
209.11728	19.3
227.12733	9.7
233.19041	11.7
234.19501	1.1
235.11687	1.9
271.15387	12.9
277.21561	8.8
278.22144	1.1
289.21512	1.0
311.14896	6.6
315.18054	13.2
321.24231	3.9
329.15936	22.5
335.22214	1.8
338.27643	3.6
383.27673	1.6
395.88684	1.1
423.27524	11.7
425.47308	1.0
427.30579	5.7
441.28015	1.4
458.23169	2.3
458.35492	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	458.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
55.86678	1.0
57.07080	23.3
67.05521	2.8
69.07053	2.2
70.07380	1.4
71.44573	1.3
79.05507	1.7
81.07051	4.2
87.04462	2.7
89.06041	8.6
91.05488	3.1
92.34151	1.0
93.07046	6.5
93.79937	1.2
95.04970	2.2
95.08609	3.0
97.10145	1.1
99.25870	1.2
103.03944	100.0
104.04279	1.7
105.07005	1.5
107.04980	2.2
107.08618	1.3
109.10177	1.4
119.08580	2.0
120.39050	1.1
120.96644	3.1
121.06501	17.5
125.06007	4.0
126.06287	2.5
126.48060	1.1
131.08359	1.0
133.08598	3.3
135.08133	1.4
137.06010	3.4
138.06310	2.6
147.06482	1.0
147.08061	2.7
151.07564	2.3
152.07869	1.6
153.05493	3.5
154.05801	3.4
155.05930	2.5
163.07573	9.0
164.07904	9.0
165.08006	3.2
165.09138	12.3
165.86589	1.1
166.08383	1.5
177.09181	2.0
178.09489	1.8
179.09555	2.0
180.10069	1.1
197.27989	1.3
231.78461	1.4
233.18968	3.5
235.11739	2.0
253.14445	1.8
271.15402	16.8
277.21518	6.3
320.67984	1.3
329.15942	14.3
338.27814	5.3
366.53687	1.2
383.28061	2.8
401.80099	1.0
408.24570	1.1
440.27850	1.1
458.23419	2.6
458.28955	11.1
458.38516	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05496	3.1
57.06817	1.8
57.07076	26.2
61.67979	1.0
66.29693	1.1
67.05485	3.6
69.03383	1.0
69.07059	6.0
69.20454	3.5
69.20863	3.0
71.08636	34.6
77.03922	1.6
79.05469	1.9
81.07059	7.7
82.07375	1.3
83.08611	2.6
83.30054	1.1
85.10174	1.6
87.04464	3.3
89.06032	55.8
91.05470	9.8
93.07046	19.1
94.07375	1.4
95.04958	5.1
95.08605	11.1
96.08938	2.5
97.10198	1.2
103.05457	4.1
105.04493	2.8
105.07022	5.2
106.07361	1.2
107.07012	1.3
107.08599	6.8
109.10146	5.5
110.10508	2.2
119.04937	2.7
119.08573	6.6
120.08851	1.4
120.96622	1.4
121.06503	58.1
121.10136	7.5
122.06857	1.5
122.10468	3.2
123.04444	1.3
123.08042	1.5
123.11713	2.4
125.05967	4.2
126.41737	1.1
130.08633	2.4
133.07584	1.9
133.08598	34.9
133.10152	2.5
135.08040	2.9
135.11668	3.1
137.05940	6.4
137.13298	1.4
138.06317	2.8
145.10097	1.4
147.08052	8.5
147.11682	2.7
149.09602	1.6
151.07542	5.3
153.05463	4.5
154.05843	3.2
157.10143	1.4
159.11673	1.8
161.13245	2.5
162.13622	1.3
163.11185	1.5
163.14819	1.3
165.09108	20.6
176.76402	1.1
177.11230	9.1
195.00175	1.4
209.11731	11.4
227.12767	4.4
247.20575	9.8
271.15302	1.7
275.24863	1.3
291.23074	8.3
315.18018	100.0
316.18381	4.6
335.25668	1.6
338.27676	2.3
395.33575	1.5
396.33469	2.8
397.65311	1.2
422.34760	2.4
440.29730	2.3
440.36072	32.3
441.32086	35.5
442.32367	1.7
458.24084	9.6
458.29803	3.6
458.36963	9.5
459.23013	1.2
459.34283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.4
56.99794	1.4
57.07080	72.2
59.05008	4.3
64.20010	1.5
66.92258	1.5
77.03958	2.0
83.63194	1.5
87.04466	32.7
89.06027	39.6
89.06530	2.9
91.05476	9.1
93.07047	11.6
93.38083	1.5
95.04993	5.4
103.03944	72.9
103.05473	3.5
105.04556	2.2
105.07042	5.8
107.04985	1.7
107.07065	1.9
107.08611	3.5
109.06517	2.7
117.06961	1.8
118.07860	4.2
119.07090	3.2
119.08551	2.5
121.06510	61.9
121.10168	2.1
131.07007	2.2
133.06570	3.9
133.08585	24.6
135.08072	8.1
147.06552	11.6
147.08080	7.5
149.09674	7.1
150.06793	2.0
159.08032	2.1
163.09798	2.8
165.09114	24.7
177.09140	3.5
177.11259	3.7
177.12711	2.8
183.10172	8.8
191.09186	5.4
191.10771	2.2
197.11804	4.3
209.11711	9.0
227.12662	2.4
233.19009	26.2
265.14398	3.0
267.12265	2.7
271.15363	2.8
277.21652	13.1
283.15472	2.5
284.22989	1.7
311.14920	14.6
315.18018	100.0
316.18365	4.5
329.15976	26.1
335.22302	3.0
356.01807	2.0
423.27383	42.2
424.27930	2.4
427.30576	41.6
428.31058	2.5
458.25146	2.2
458.34924	56.8
459.35147	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52664	2.1
52.81257	2.3
56.96562	37.2
64.68570	2.1
70.09691	3.1
70.10014	3.6
80.31409	1.9
84.96046	11.9
90.28205	2.4
98.97585	100.0
101.47765	2.2
110.97576	38.0
112.99122	8.0
116.98622	50.5
122.38917	2.1
127.03880	2.3
128.98611	44.4
131.00162	5.8
134.99689	12.8
139.03896	26.4
140.98595	6.1
142.52518	2.1
143.00153	6.9
144.98016	2.2
146.99655	20.1
149.01245	4.6
151.03961	4.4
153.01837	6.9
158.99643	8.5
161.01225	12.9
162.99211	2.5
165.00659	3.6
166.73840	2.2
170.99664	9.7
177.00699	12.4
179.02267	3.6
189.00665	8.5
194.99715	4.1
197.01254	3.7
201.00758	7.2
213.00710	9.0
214.01535	4.3
215.02275	2.8
219.01788	49.1
237.00615	4.8
237.02821	71.7
255.01736	5.4
255.03981	5.5
258.00443	14.7
261.02841	9.3
273.02823	37.1
276.01447	9.6
279.03860	9.6
282.17047	2.2
291.03854	49.7
300.70825	2.5
315.03879	7.6
316.82886	2.5
318.00610	2.6
336.01770	10.4
339.03854	9.5
341.05392	5.5
351.03897	16.8
357.04852	4.4
359.06586	3.4
369.04791	8.5
378.74106	2.5
381.04895	3.8
387.05930	3.0
399.05936	54.0
400.06610	2.4
417.07050	83.1
418.07150	2.6
440.08224	3.4
459.08005	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0924
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
52.01433	0.3
53.00310	1.1
65.03929	1.2
67.05520	0.5
68.00809	0.3
68.99806	0.6
69.08377	2.0
79.01853	1.1
83.05022	0.3
86.77527	0.3
93.03394	0.5
95.04974	0.5
107.01273	0.3
107.04919	0.5
109.02854	0.3
110.22865	0.3
111.00789	0.4
111.04466	0.7
113.52402	0.3
121.02906	1.7
123.04424	3.5
133.02756	0.3
135.04422	0.8
139.03902	100.0
140.04234	1.4
143.03448	1.6
149.05933	0.5
151.03909	11.4
153.01836	16.6
153.02951	1.2
160.86856	0.3
163.03896	3.9
177.05467	0.9
179.06982	0.7
181.05005	2.4
195.06641	0.3
205.04958	2.7
271.05841	0.6
289.07101	4.3
290.07440	0.5
307.08127	1.6
415.19318	0.3
458.07077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01683	0.2
53.00298	1.0
59.98725	0.2
62.40963	0.2
64.80663	0.2
65.03934	1.4
67.05525	0.2
68.99796	0.7
69.96772	0.6
79.01846	1.3
79.05479	0.3
83.04975	0.3
93.03406	0.4
95.04977	0.4
97.02891	0.3
100.22768	0.2
107.04948	0.4
111.00827	0.3
111.04428	1.0
121.02863	1.4
123.04434	3.0
125.02354	0.6
127.03909	0.5
133.02879	0.3
135.04390	0.9
139.03900	100.0
140.04271	1.7
143.03415	1.5
149.05978	0.5
151.03905	10.7
152.04213	0.3
153.01831	16.9
153.02905	0.9
154.02177	0.3
159.04343	0.4
163.03903	4.4
167.03540	0.3
169.04964	0.3
177.05484	0.4
179.07031	0.3
181.04950	2.5
182.05083	0.2
187.03970	0.2
195.06459	0.3
197.05983	0.2
205.04974	2.4
229.05081	0.3
247.06004	0.4
271.06058	0.5
289.07077	3.8
307.08145	1.5
458.16980	0.5
459.14413	0.8
459.18097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
55.05510	12.4
55.61775	1.3
56.96571	1.4
57.03433	2.7
57.07063	1.2
59.04966	1.5
63.66341	1.2
67.05501	12.6
67.60949	1.2
69.03432	5.3
69.07066	19.6
69.41283	4.5
70.06596	3.2
71.04993	7.1
79.05483	16.8
81.03425	13.6
81.07061	17.9
83.04995	3.3
83.08610	5.3
85.02884	8.4
91.05477	10.9
93.07049	10.3
95.04987	9.5
95.08614	9.2
97.06539	2.9
97.10171	8.4
98.23445	2.9
98.97591	22.3
99.04463	1.8
105.07022	9.2
107.04940	6.7
107.08597	9.9
109.06506	2.9
109.10149	4.3
109.46219	1.3
111.08102	1.8
112.99147	3.6
116.98647	6.6
117.07027	6.3
119.08582	7.2
121.06496	5.8
121.10140	3.9
123.08077	2.2
123.11696	7.8
125.09624	4.5
129.07036	4.0
131.00182	5.3
131.04950	2.1
131.08548	5.4
133.06512	3.8
133.10158	3.4
134.99675	1.5
135.08067	3.2
135.11723	2.8
137.09639	2.2
141.06970	1.5
142.08629	4.2
143.08638	2.8
143.90691	1.3
145.06503	10.7
145.10112	3.6
146.44907	1.6
147.08034	2.9
147.11681	3.8
149.01216	3.5
151.07614	2.4
151.11165	12.1
153.09082	1.5
155.08563	2.5
157.06500	2.2
157.10185	2.5
158.99590	7.1
159.08099	2.9
159.11670	1.6
161.05914	2.3
163.11177	3.7
170.11778	5.1
171.08044	2.4
173.01271	6.1
175.11232	3.8
177.00757	7.5
188.03409	7.6
189.11201	1.5
191.02303	5.5
191.10661	3.3
193.12228	7.3
195.01649	1.5
195.11653	2.7
201.00751	3.6
206.04518	5.3
211.13158	1.4
211.16898	2.9
214.08643	2.1
219.01781	3.2
227.14340	1.8
233.03412	2.1
233.15413	5.9
255.14000	1.8
271.12253	6.2
273.14853	6.2
283.15375	2.3
285.13922	1.9
295.12189	2.0
313.13281	7.3
327.14688	2.5
329.11435	9.6
339.23291	1.4
349.21600	6.1
357.23990	1.7
367.22659	16.9
385.23871	16.3
396.24539	1.4
403.24716	4.4
405.24460	1.5
415.17468	8.0
441.26492	3.2
459.16324	100.0
459.27188	49.2
460.16608	3.4
460.27435	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06142	0.3
52.18377	0.3
60.33477	0.4
69.12846	0.7
69.13229	2.3
71.05008	0.5
81.07052	0.9
83.34946	0.3
93.07066	0.5
95.46368	0.3
99.04470	0.5
102.04401	0.4
106.80021	0.3
109.02890	0.5
111.04227	1.5
127.03931	0.7
127.71727	0.3
137.02357	1.1
139.03938	1.4
159.06474	0.6
185.04239	0.4
193.12041	3.6
203.05284	0.8
211.13052	7.2
239.12564	1.8
245.06314	3.4
253.14091	0.4
289.05341	1.8
355.17343	1.0
373.18338	17.0
374.18762	0.4
397.18585	0.7
415.19403	35.4
416.19925	1.7
459.18369	100.0
460.18677	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	459.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01870	0.4
55.05513	0.5
57.03426	0.3
59.96365	0.2
66.04684	0.3
67.01863	0.8
67.05522	0.3
68.99821	0.3
69.03423	0.9
69.07070	4.0
69.28493	0.8
69.28887	0.6
70.08456	0.2
71.04996	1.1
72.05332	0.4
73.02917	0.7
77.03913	0.5
79.05492	3.0
81.03422	0.7
81.07047	1.4
85.02901	3.8
86.03226	0.3
87.00829	1.1
87.04522	0.3
91.05486	0.6
94.04167	0.8
95.04974	1.3
96.17092	0.2
97.02885	0.6
100.11262	1.1
100.52466	0.2
103.03934	0.3
105.01869	1.4
105.04514	0.5
105.07018	0.3
107.04949	3.6
109.06504	2.3
110.99842	0.3
111.04453	0.5
113.03633	0.3
115.03954	0.3
119.08572	0.3
121.06496	0.3
123.04415	0.5
125.06016	2.1
127.03917	0.8
129.05460	0.5
135.05548	0.6
135.08047	0.3
137.05972	100.0
138.06284	1.9
139.03938	0.3
139.07515	0.3
145.04939	0.4
147.06544	0.6
147.07953	0.3
149.06055	0.3
151.07549	1.3
161.05939	0.5
163.07500	1.6
165.05418	0.2
168.13786	0.4
174.06720	0.3
175.07541	1.1
177.09094	0.4
179.07083	0.4
182.15453	0.3
189.09148	0.3
189.12619	0.2
191.10652	0.3
193.12236	58.5
194.12546	1.9
205.12186	1.2
210.14870	0.4
217.12224	1.9
229.12323	0.5
231.13809	0.3
235.13347	1.5
247.13312	0.4
255.13855	0.3
259.13251	0.9
277.14413	0.4
283.13251	0.9
301.14279	2.0
309.84528	0.3
319.15475	0.3
401.76965	0.2
459.14795	0.9
459.22336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	24.6
57.03457	15.0
57.07070	16.9
65.91203	13.9
67.05508	28.8
69.07058	37.7
70.06580	15.1
70.83758	14.8
71.04961	13.7
79.05506	20.7
81.07055	65.2
82.07452	18.6
82.36047	14.5
84.67327	15.6
88.07645	18.0
91.05481	21.7
93.07020	40.3
95.08605	55.0
105.07064	17.0
107.08613	49.7
109.10188	39.0
111.41138	16.2
119.08586	36.8
120.96607	16.8
121.10161	35.9
122.69505	15.4
123.11694	49.1
124.12094	23.5
133.10162	35.9
134.10547	19.1
135.11748	17.8
138.35152	14.0
143.59149	15.9
145.10156	17.6
147.11713	21.8
154.21909	14.4
159.11674	18.0
165.09125	19.8
169.13443	19.4
179.14375	21.5
182.46100	15.3
202.74464	15.7
230.19829	38.8
248.21005	18.4
316.49997	15.8
332.86551	15.8
389.70740	16.3
440.36038	44.3
441.35812	16.2
458.44543	68.8
459.19757	19.9
459.24789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.01876	2.1
55.05510	7.1
57.03423	1.4
57.07078	2.7
59.04998	3.6
62.62415	1.3
67.05502	17.3
69.03438	11.8
69.07070	12.8
69.26917	5.1
71.04990	2.2
73.02914	1.3
74.83108	1.0
75.85179	1.0
79.05495	3.5
81.03427	5.4
81.07068	17.1
83.04976	8.7
83.08624	6.7
85.02898	12.6
85.06539	4.0
87.00832	5.2
87.04478	4.8
87.08086	1.5
89.06030	15.3
90.06374	2.8
90.75991	1.1
91.05470	4.5
93.07027	10.8
95.04971	1.9
95.08607	27.5
97.02903	3.6
97.10171	2.5
99.08089	3.9
100.75359	1.2
105.01891	2.9
105.07027	7.9
107.08593	20.3
109.02905	5.0
109.06515	7.5
109.10159	100.0
110.10461	1.2
111.08061	2.6
113.09655	2.3
119.08577	36.2
120.08932	2.2
121.10143	12.2
123.08084	13.3
123.11718	6.9
125.09657	1.8
127.03942	6.3
133.08624	6.2
133.10133	23.6
134.08966	1.6
134.74017	1.1
135.11694	98.0
136.11980	1.9
137.09624	16.3
139.11194	1.9
145.04932	1.2
147.11739	2.8
149.13264	6.4
151.11192	7.1
151.14848	10.6
153.12735	2.0
165.16385	3.1
175.14822	43.7
177.09009	1.4
193.15884	72.5
194.16290	2.0
195.92177	1.2
211.16934	79.0
212.17160	1.8
254.00223	1.3
389.61130	1.1
459.26053	5.8
478.82486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
53.21351	0.8
55.01872	1.1
55.05510	7.2
57.03438	1.1
57.07071	2.1
59.04994	1.1
61.02913	1.2
67.05506	13.9
69.03423	8.8
69.07067	11.6
70.57101	1.8
71.04998	2.6
79.05503	3.0
81.03416	3.0
81.07057	16.3
81.07786	0.9
81.45699	1.0
83.04978	9.9
83.08615	6.0
85.02897	7.0
85.06544	2.6
87.00816	3.8
91.05473	3.0
93.07046	6.5
95.04961	1.2
95.08604	27.8
97.02911	2.9
97.06547	1.9
97.10181	2.4
99.08105	3.2
102.59657	0.8
105.01880	1.5
105.07046	4.1
107.08593	17.1
108.66299	0.9
109.02883	2.6
109.06511	10.0
109.10155	91.1
110.10520	1.3
111.08098	3.7
113.09632	1.8
116.95507	0.9
119.08582	26.7
121.10140	10.4
123.08076	9.4
123.11697	7.7
125.09649	1.6
127.03924	3.8
127.11178	1.4
133.10135	18.0
135.11690	76.4
137.09628	15.7
139.11179	1.7
145.05052	1.5
147.11682	2.2
149.13269	5.2
151.11176	9.3
151.14807	9.7
153.12732	2.2
165.16415	2.7
175.14815	36.1
193.15887	47.6
194.16171	1.1
211.16924	100.0
212.17310	3.1
212.43526	0.9
364.35294	0.9
382.78925	1.0
459.19440	1.6
459.25671	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	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42762	0.5
53.03946	1.2
55.01876	1.1
55.05513	4.6
57.03431	1.4
60.40552	0.6
61.11896	0.7
67.05499	3.9
69.03427	5.4
69.07068	3.7
69.62454	2.5
71.04987	1.2
79.05485	1.4
81.03424	3.5
81.07072	4.7
83.04961	1.3
83.08620	2.8
85.02906	8.6
85.06516	0.9
87.00827	3.8
91.05478	1.9
93.07034	4.5
95.04965	1.0
95.08607	10.7
97.02886	2.0
97.06528	1.3
97.10153	0.8
99.04453	2.3
99.08109	0.9
105.01859	2.0
105.07036	2.6
107.08601	7.4
107.56619	0.7
109.02862	2.1
109.06504	2.6
109.10158	22.1
111.08082	9.3
119.08587	11.7
121.10139	7.4
123.08076	10.3
123.11733	4.2
125.09641	2.1
127.03902	7.2
127.11232	1.1
133.10135	10.9
135.11699	13.5
137.09621	23.5
137.13261	0.9
138.10394	1.9
139.03918	1.2
139.11176	0.8
145.04955	1.6
147.11670	1.9
149.13226	3.4
151.11180	1.3
151.14836	3.0
157.33441	0.6
159.02913	1.3
165.12730	3.0
165.16428	0.9
175.13380	1.3
175.14832	20.5
177.44449	0.7
193.15884	21.1
194.16322	1.0
205.07736	0.6
208.03882	0.6
211.16936	100.0
212.17253	2.6
231.04895	0.8
287.09137	0.9
297.07507	2.8
399.24442	0.7
458.29901	0.6
459.25406	1.9
475.92133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67038	2.1
55.05514	20.2
57.03442	14.3
57.07082	14.3
65.58245	1.9
67.05505	19.9
67.35770	1.9
68.49585	1.9
69.06717	2.2
69.07069	36.2
69.15518	4.3
69.15915	8.2
71.08633	6.1
74.56035	1.9
79.05511	11.0
81.07068	18.8
83.08618	22.0
85.10163	3.1
91.05523	2.3
93.07040	15.2
95.08600	23.2
96.91738	1.9
97.06537	3.7
97.10188	10.7
107.08607	10.3
109.10149	8.3
109.60577	2.0
111.08060	2.1
111.11730	2.9
114.05432	2.0
119.08614	3.0
120.96642	74.4
121.10174	11.7
135.11673	6.1
139.12192	2.0
195.00241	5.5
313.90649	2.4
315.23285	4.3
339.28925	100.0
340.29318	4.1
344.65790	2.0
361.27115	15.9
418.99051	2.0
459.24808	80.2
459.30685	5.5
460.25064	6.0
469.85294	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01884	5.7
55.05514	21.6
57.03436	3.5
57.71120	1.2
59.96788	1.1
65.03946	2.2
66.68650	1.2
67.05508	23.6
67.50580	1.1
69.03439	3.4
69.07072	6.4
70.02379	2.2
71.05005	2.6
79.05498	27.9
81.03420	31.1
81.07061	21.2
83.04990	5.0
83.08619	14.4
85.02911	2.2
85.06520	1.4
91.05492	18.2
93.07053	15.3
93.22284	1.2
95.04972	14.9
95.08611	10.0
97.02899	1.6
97.06551	3.5
97.10166	13.0
105.04533	2.0
105.07028	16.4
107.04955	14.0
107.08598	15.1
109.06490	5.7
109.10162	10.0
111.08089	3.2
113.06070	1.1
115.05476	3.0
115.71110	1.3
117.07010	10.0
119.04980	2.1
119.08574	11.0
121.06508	9.4
121.10169	4.7
123.04470	2.7
123.08083	4.7
123.11733	2.2
125.09653	10.3
127.31641	1.4
128.06247	2.7
129.07024	11.8
131.00499	1.3
131.04938	5.5
131.08557	9.8
133.06535	7.3
133.07408	1.1
133.10129	6.2
135.08070	4.7
137.06007	1.5
137.09587	2.4
139.03915	2.0
141.07011	4.3
143.08575	6.7
145.06491	22.5
145.10146	5.1
147.08043	5.7
147.11656	6.1
149.09647	2.6
151.07564	2.0
151.11380	1.3
153.09116	4.7
155.08594	5.4
157.06496	3.9
157.10155	6.3
159.08102	4.5
159.11687	2.7
161.05995	3.8
161.09630	3.8
163.07607	2.0
163.11256	3.4
165.12804	2.4
167.08560	1.8
169.06451	2.3
169.10205	3.7
171.08041	6.0
171.11710	2.4
173.05991	1.4
173.09619	3.6
173.13254	1.4
174.01808	1.1
175.07614	1.3
175.11200	3.8
179.08614	1.4
181.10164	2.1
183.07994	3.0
183.11679	2.3
185.09605	2.7
185.13248	3.2
187.11224	2.2
187.14807	1.5
189.09282	2.2
189.11235	5.9
189.12834	2.1
193.12222	14.5
195.08141	1.4
195.11757	5.2
197.09662	1.9
197.13271	3.6
199.11267	2.8
201.12874	1.7
209.09636	1.9
209.13333	1.8
211.11293	2.0
213.12720	2.6
215.14400	3.6
219.13783	1.5
223.11171	1.4
225.12837	2.0
227.14316	1.8
231.13745	1.6
233.15388	10.1
237.12778	2.5
239.14383	1.7
241.14366	1.4
243.13786	1.8
249.14912	2.1
255.13823	4.3
273.14865	17.6
274.15112	1.4
287.16507	1.8
299.16379	1.9
321.22168	2.4
339.23242	3.5
349.21625	14.0
357.24283	3.7
367.22702	33.6
368.23010	2.4
385.23737	35.4
386.24152	2.4
403.24817	8.1
405.23990	2.0
423.25311	1.7
441.26620	7.7
459.27454	100.0
460.27753	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	459.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01872	7.5
55.05516	41.9
57.03446	4.1
59.04998	1.8
64.75430	0.8
65.03947	2.7
67.05510	33.6
69.03426	3.8
69.07080	9.1
69.64740	2.0
69.65099	1.8
71.05003	1.7
79.05496	37.2
79.54319	0.8
81.03426	2.1
81.07063	28.6
83.04985	4.6
83.08623	19.7
85.06535	1.7
91.05485	32.9
93.03399	1.3
93.07050	14.3
95.04998	6.2
95.08614	8.8
97.06536	2.1
97.10178	32.0
98.22772	1.7
103.05476	17.1
105.03402	1.0
105.04539	1.9
105.07037	21.7
106.07438	0.8
107.04971	3.6
107.08601	18.3
109.06546	2.5
109.10169	8.0
111.08082	2.0
113.11167	0.9
115.05447	6.6
116.06254	0.9
117.07025	44.4
118.07350	1.1
119.04956	1.7
119.08583	11.4
121.06544	2.8
121.10165	3.5
123.08076	1.8
125.09644	31.0
128.06235	4.3
129.07005	21.6
131.04933	4.0
131.08578	29.2
133.06499	7.6
133.10185	5.1
135.08076	8.4
137.09572	1.2
141.06985	9.2
142.07787	1.8
143.04980	1.5
143.08569	12.4
143.10684	1.4
145.06491	11.2
145.10153	10.1
147.08032	4.3
147.11699	1.2
149.09647	3.5
153.07056	1.7
153.09120	2.7
154.07730	1.3
155.08583	13.2
156.09343	1.3
157.06516	4.5
157.10123	5.2
159.08018	4.4
159.11697	3.8
163.11334	1.1
165.07005	1.2
167.08556	6.4
168.09354	1.2
169.10150	9.3
171.08066	3.4
171.10225	2.2
171.11734	5.4
173.09698	2.0
173.11819	1.7
173.13312	2.5
178.07817	1.3
179.08575	1.7
180.09351	1.2
181.10101	2.9
182.10884	1.1
183.08012	1.6
183.11696	2.7
185.09567	2.4
185.13249	3.5
187.11243	2.4
187.14827	11.6
189.11203	20.7
189.12758	2.0
193.10159	1.7
195.11726	3.4
197.09720	1.5
197.11583	1.5
197.13268	14.4
199.11218	2.4
201.12820	1.2
207.11798	1.0
209.13333	2.2
211.14929	1.7
213.12764	5.0
215.14319	66.4
216.14708	2.8
219.11765	1.2
223.11188	3.1
223.14908	1.3
227.12758	27.3
231.13878	2.0
233.13310	1.2
233.15495	2.5
235.14876	1.0
237.12732	1.3
239.14404	1.8
241.12349	3.2
241.16168	1.1
245.13855	2.7
251.14279	1.5
253.15915	1.0
255.13979	1.5
255.17180	1.1
257.15427	1.5
259.13470	2.2
269.15564	2.0
271.16898	4.6
273.14941	1.6
315.16068	1.0
331.20508	2.7
339.23090	5.1
349.21576	10.3
354.90378	0.9
367.22726	24.6
385.23758	19.0
386.23981	1.5
403.24829	4.8
423.25058	1.4
441.26389	46.4
442.26770	2.9
459.27417	100.0
460.27719	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	459.2764
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.54447	1.1
55.01877	3.5
55.05503	5.2
57.07077	7.3
65.03928	3.0
67.05505	15.5
68.99780	2.8
69.03436	1.8
69.07067	6.7
69.20409	5.8
71.08626	3.6
71.32871	1.0
73.46462	1.0
79.05103	1.2
79.05467	6.5
81.07060	9.9
83.01350	1.6
83.04993	3.4
83.08616	4.5
85.02901	1.2
85.10197	1.8
91.05493	4.9
93.07044	5.4
95.04970	16.7
95.08616	9.2
96.08952	1.7
97.06550	1.7
97.10164	2.7
105.03399	1.9
105.04504	1.3
105.07059	3.3
105.66343	1.2
107.04957	5.1
107.08611	6.0
109.02877	2.0
109.06563	1.7
109.10163	4.6
110.03669	1.4
111.04462	7.7
117.07011	1.2
119.04968	2.3
119.08582	3.9
120.96632	2.0
121.06506	2.4
121.10150	2.7
123.04427	66.4
125.02396	7.3
125.05997	20.3
126.03142	10.0
127.03930	7.2
131.08603	1.3
133.06474	2.1
135.04427	2.7
135.08022	2.3
135.11707	1.9
137.05974	17.8
137.09616	1.6
137.16629	1.1
139.03909	18.8
141.05463	37.5
147.04443	3.0
147.07970	2.0
149.02347	3.9
149.05959	7.6
149.09647	2.8
149.13248	1.3
151.03868	1.1
151.07518	6.5
153.01805	10.2
153.05478	8.2
154.02637	5.3
155.03377	14.3
161.06007	4.9
161.43825	1.4
163.03903	7.2
163.07541	7.3
165.05453	1.8
165.09099	6.7
167.03406	5.0
167.07014	1.5
168.04187	2.1
169.04956	98.2
170.05261	1.9
175.03685	1.2
175.07530	1.7
177.05438	5.5
177.09117	3.8
179.07074	4.4
181.04942	1.6
187.07623	1.2
191.07007	3.6
191.10693	1.6
193.08643	6.8
203.17921	1.5
205.08568	2.0
217.08810	1.2
228.23445	1.4
243.06564	3.4
245.04420	2.6
255.06502	1.2
259.06268	1.1
269.08081	1.7
339.28003	1.3
344.86581	1.3
381.24188	1.8
399.25363	2.8
409.23740	7.6
413.26904	2.5
427.24783	14.2
431.27878	7.5
441.26425	12.7
441.32391	2.0
459.27475	100.0
460.27975	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	459.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72890	2.6
53.95105	2.8
55.05508	6.7
56.21678	3.2
57.07059	3.0
59.70776	2.9
67.05516	11.5
69.07061	7.7
69.46502	8.9
81.07079	15.2
89.93523	2.9
93.07046	7.2
95.08569	15.5
107.08613	13.2
109.10170	12.1
110.82840	3.1
119.08575	10.6
121.10160	6.2
123.11698	3.9
133.10106	3.8
135.08064	4.6
137.09596	7.7
139.07562	3.7
145.10098	3.4
149.09647	9.7
151.07483	4.0
163.11157	4.4
165.09108	100.0
170.61928	3.9
177.09128	7.4
189.09174	4.2
191.10684	4.2
203.10646	7.7
205.12216	18.4
401.17599	3.6
402.18085	3.4
429.17068	8.5
441.33521	11.4
444.19147	5.5
445.19922	5.3
459.21710	47.3
459.34796	9.3
460.22800	16.9
460.28296	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	459.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83153	0.6
55.05503	5.1
57.03435	0.9
57.07064	2.2
59.04989	1.8
62.11296	0.5
65.03944	0.5
67.05501	5.4
69.03415	1.3
69.07071	7.4
71.04987	1.3
71.08628	1.0
79.05487	2.3
81.07060	11.4
83.04964	0.8
83.08606	3.7
85.06537	1.6
91.05474	1.8
93.07038	4.3
95.08609	8.9
97.06525	1.4
97.10172	1.4
99.08076	0.7
105.07010	1.7
107.08596	4.7
109.10146	6.7
111.08106	1.6
118.38324	0.5
119.08559	4.3
120.96623	2.5
121.10131	3.4
122.06318	0.7
123.08098	0.7
123.11755	2.6
131.08560	1.3
133.10139	1.7
135.08047	1.5
135.11705	2.8
137.09627	8.1
137.13278	1.1
139.72202	0.7
142.88094	0.5
145.10085	1.4
147.11649	0.7
149.09618	9.2
149.13286	1.5
151.07613	1.1
157.10086	0.7
159.11697	1.2
161.09634	0.7
162.06805	1.1
163.07524	0.6
163.11174	5.6
163.14801	0.6
165.09114	100.0
166.09460	2.0
171.11584	0.6
173.09703	0.9
175.07538	0.9
175.11180	2.0
176.08282	0.6
177.09109	4.8
177.12718	1.1
179.10677	1.1
181.95172	0.6
187.11183	1.8
189.09084	1.5
189.12686	1.4
190.09819	1.4
191.10658	6.3
199.11214	1.6
201.12799	0.9
203.10632	4.7
203.14311	1.3
205.12248	18.8
206.12659	0.8
215.14252	0.8
217.12239	0.9
219.13812	1.1
231.13809	1.1
336.05585	0.5
339.28909	4.2
399.32535	0.7
413.30478	2.0
423.32336	2.6
431.31265	2.1
441.33664	10.3
442.33856	1.0
445.81271	0.6
459.25128	4.4
459.35147	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	460.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.3
62.62202	0.4
69.03419	0.7
69.35446	2.0
70.06593	1.4
72.08157	100.0
73.08513	0.7
75.26752	0.4
85.02901	2.1
86.00247	0.5
89.78481	0.5
97.02885	0.7
104.07057	0.5
104.49301	0.5
116.07104	2.0
116.89124	1.0
118.08656	80.4
119.08987	1.0
124.03951	0.7
127.03920	1.6
130.08635	0.5
145.04953	1.7
149.79445	0.5
155.82402	0.5
163.06012	0.6
224.30186	0.5
474.73178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34850	1.4
53.03924	1.9
55.05485	1.9
55.50658	1.3
57.07077	82.1
59.05009	9.2
67.05490	2.2
69.03443	1.4
69.25853	2.8
69.26255	6.9
71.08624	1.9
73.06552	6.1
73.06931	1.4
78.58971	1.3
81.07054	2.9
87.04469	100.0
89.06033	9.6
91.05479	12.0
93.07039	14.0
95.04967	4.6
95.08598	1.6
98.23505	2.7
103.05463	4.3
105.07011	3.1
107.04987	2.1
107.08594	6.1
112.87265	1.4
113.13275	4.0
117.07048	3.0
118.07825	2.4
119.04929	5.0
119.08573	6.2
121.06505	42.5
121.10162	1.8
131.07048	6.5
133.06477	4.9
133.08578	5.3
133.10106	3.4
135.08043	15.2
145.06468	5.5
147.08040	9.5
147.11588	1.9
149.09650	3.1
149.13243	1.8
159.11713	1.6
161.09622	6.8
163.07550	7.6
165.09122	14.2
175.09703	5.0
179.10683	19.7
189.09131	3.1
207.10170	26.1
209.11755	3.7
227.12822	8.3
231.17392	2.2
233.11694	3.2
233.19038	9.2
247.20503	7.9
257.18961	2.3
263.23618	1.9
275.19946	2.1
277.21674	5.2
295.15341	13.0
313.16223	1.8
319.22656	44.6
320.23172	1.9
321.24310	2.9
329.57385	1.6
407.28000	11.3
442.31479	9.3
460.36188	12.4
461.28571	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	460.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	1.6
59.04974	1.1
63.28893	0.8
67.05501	3.7
69.03436	0.8
69.07069	1.9
69.42931	3.3
71.36230	0.8
71.63969	0.8
78.63070	0.7
79.05522	0.8
81.07052	2.7
91.05463	1.1
93.07037	1.7
95.08617	2.3
107.08601	1.8
109.10139	4.9
119.08606	6.2
121.06512	7.9
122.07319	1.9
135.08034	1.6
136.08858	10.4
137.09633	10.8
149.09579	2.7
150.10124	0.8
151.07532	0.7
152.08357	1.5
159.11711	0.9
164.08345	31.6
165.09116	100.0
166.09447	8.6
177.09140	2.4
177.12762	1.2
178.09604	0.7
190.09908	1.1
191.10672	2.1
203.10759	2.2
205.12218	10.3
205.13838	1.0
206.12560	2.2
208.99768	0.9
431.18594	1.2
442.34375	21.5
443.34753	1.8
445.20187	1.2
459.75824	1.1
460.22586	5.8
460.35461	47.8
461.23544	2.0
461.35800	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
55.05510	1.3
57.03436	45.6
57.83249	1.4
61.02927	12.8
67.05493	1.4
69.03429	22.6
70.06587	2.8
71.01369	4.1
71.45049	1.4
72.08131	1.7
73.02914	95.5
79.05481	3.9
81.03404	1.4
83.04995	1.5
85.02900	26.8
86.09690	4.5
87.04481	3.5
90.25211	1.1
91.05459	2.1
95.04974	2.0
97.02885	13.5
97.06515	1.2
98.97603	2.3
103.03929	6.0
103.05476	2.2
107.04955	3.8
109.02886	1.5
111.04497	1.4
115.03942	10.9
118.32346	1.2
119.04950	5.6
121.02870	2.6
123.04456	1.7
125.05974	2.6
131.04898	7.1
133.02847	22.3
133.03795	1.0
135.04405	2.4
137.05902	1.7
138.03143	5.1
139.03917	12.1
140.04230	6.3
141.04451	1.9
145.02818	2.4
147.04413	10.4
149.02350	3.6
149.06001	2.9
150.03117	13.6
151.03908	8.5
153.01880	1.3
153.05472	8.1
154.02130	1.2
159.04404	17.9
161.05986	2.5
162.03162	6.3
163.03903	6.5
164.04700	1.8
165.01842	1.2
165.05476	4.8
166.02620	5.2
167.03362	1.8
171.04515	1.8
173.02332	3.1
174.03047	1.5
175.03905	15.4
176.04733	7.2
177.01836	41.1
177.05460	15.1
178.02539	2.6
179.03381	10.8
179.07045	4.8
180.00548	3.8
181.04941	82.1
182.05338	2.0
186.03026	1.2
187.03909	15.0
188.98384	1.6
189.05484	3.9
190.02614	4.6
191.03384	46.6
191.07030	4.6
192.04105	4.8
193.01344	1.9
193.04955	19.8
194.02074	5.9
195.02879	21.1
196.03278	1.5
197.04459	33.2
199.04022	2.6
199.62448	1.2
202.02663	1.8
203.03369	2.8
204.04134	8.1
205.04951	44.3
206.02090	3.3
206.05598	2.0
207.02950	5.1
207.06573	7.9
208.03616	1.5
209.04448	100.0
210.04834	1.5
211.02403	4.6
215.03363	12.4
216.04083	3.7
217.04907	6.5
218.01967	1.8
219.02985	12.4
219.06488	25.6
220.03522	2.7
221.04436	32.1
223.02414	5.1
223.06015	5.9
225.03952	6.5
227.03474	1.4
227.05528	3.1
229.04990	4.6
229.11865	1.4
230.02057	2.8
231.02931	2.8
231.06625	3.6
232.03664	4.4
233.04433	54.2
234.04837	2.7
235.05965	9.4
237.03932	3.9
243.02898	2.1
245.04434	9.5
247.06000	42.3
249.03922	3.9
251.05501	85.1
252.05836	3.6
257.04358	6.3
260.03259	1.5
263.05505	65.9
264.05826	3.5
265.07199	2.9
265.14398	2.5
275.05472	71.4
276.05930	1.8
281.06601	21.7
293.06540	71.4
294.06876	2.9
296.26871	1.2
311.07571	60.4
329.08698	10.9
359.02789	1.5
461.16235	9.2
461.22385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1631
Annotation	N-(2-phenylethyl)-Indomethacin amide
Peak:m/z	Relative Intensity
54.31361	0.3
70.06586	0.4
73.04754	0.8
85.02882	0.4
86.09699	0.7
91.05770	1.5
97.52240	0.4
98.97631	0.4
107.04953	0.5
110.35622	0.3
146.89720	0.4
151.04007	0.4
167.05545	0.4
175.03514	0.4
217.39035	0.4
299.10944	3.4
359.02811	1.3
389.37994	0.3
414.33667	0.4
414.39871	0.4
421.09128	0.4
429.08893	1.2
461.16266	100.0
462.16669	5.6
465.21460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
55.05513	2.7
57.03437	11.0
61.02937	1.7
65.03931	2.8
69.03445	3.5
69.62129	4.1
71.01338	1.3
71.04993	74.0
73.02930	3.8
75.04480	5.6
83.04991	9.3
85.02904	100.0
86.03272	1.4
87.04521	1.5
89.69448	1.0
97.02917	5.1
98.23504	1.2
110.14189	1.2
111.04453	3.7
112.22066	1.0
121.02866	40.3
127.03961	4.0
129.05476	40.6
137.04562	6.8
139.03905	2.0
145.04961	2.2
147.06538	15.9
153.05466	27.5
163.03767	1.1
178.49141	1.1
232.60063	1.0
289.97836	1.1
340.69391	1.0
461.18994	2.0
479.65164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59873	0.6
55.05500	0.8
67.01629	0.8
67.05510	1.4
69.03421	1.0
69.07067	0.8
69.37949	2.3
69.38372	1.1
79.05508	1.3
81.03418	0.9
81.07050	1.5
85.02913	1.2
89.72512	0.7
93.07062	1.4
95.08618	1.4
105.07039	1.0
107.04971	0.9
107.08591	1.5
119.08575	0.6
121.10168	0.7
133.10104	0.9
135.04462	1.1
137.05978	0.8
141.60820	0.6
159.11771	0.7
179.05737	0.6
180.83328	0.6
201.13083	0.7
213.14635	10.8
241.14091	7.0
281.17502	1.9
328.73233	0.7
357.18842	2.8
369.82846	0.7
375.19888	21.6
376.20297	0.9
417.20956	61.2
418.21198	2.7
446.60211	0.7
461.19919	100.0
462.20471	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	461.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59873	0.6
55.05500	0.8
67.01629	0.8
67.05510	1.4
69.03421	1.0
69.07067	0.8
69.37949	2.3
69.38372	1.1
79.05508	1.3
81.03418	0.9
81.07050	1.5
85.02913	1.2
89.72512	0.7
93.07062	1.4
95.08618	1.4
105.07039	1.0
107.04971	0.9
107.08591	1.5
119.08575	0.6
121.10168	0.7
133.10104	0.9
135.04462	1.1
137.05978	0.8
141.60820	0.6
159.11771	0.7
179.05737	0.6
180.83328	0.6
201.13083	0.7
213.14635	10.8
241.14091	7.0
281.17502	1.9
328.73233	0.7
357.18842	2.8
369.82846	0.7
375.19888	21.6
376.20297	0.9
417.20956	61.2
418.21198	2.7
446.60211	0.7
461.19919	100.0
462.20471	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	461.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41724	0.6
60.04195	0.5
70.67101	1.0
73.04755	0.9
84.44419	0.5
91.05787	2.1
112.03724	3.3
130.08565	0.6
131.05553	1.1
149.06535	0.7
153.05272	2.7
165.25935	0.5
167.05518	1.6
181.05026	0.6
199.09882	0.5
202.09224	2.2
212.07654	0.8
220.10329	1.1
221.04471	0.7
224.08945	2.8
242.09988	100.0
243.10326	2.3
249.04109	0.6
260.09766	2.7
285.09464	0.6
292.92700	0.5
300.88391	0.6
306.08356	0.6
313.12366	0.7
359.02774	2.2
429.08771	1.2
443.18811	1.2
461.18527	2.0
462.19415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.0
53.03933	2.5
55.01870	2.6
55.05510	8.9
57.03433	4.5
61.02935	1.6
63.43435	0.8
67.05506	19.8
69.03432	3.1
69.07066	7.0
71.05009	1.1
79.05498	28.3
81.03420	6.7
81.07060	19.1
83.04985	6.9
83.08608	4.8
85.02908	3.6
85.06550	1.0
87.00817	1.8
87.04425	0.8
91.05470	21.8
93.07047	27.1
95.04959	8.5
95.08605	13.1
97.02895	1.8
97.06522	2.6
97.10162	2.2
105.04508	2.0
105.07032	17.6
107.04955	2.9
107.08585	6.7
109.02878	1.7
109.06520	2.9
109.10168	2.7
111.08047	1.1
117.07013	3.8
119.08572	10.8
121.06505	2.4
121.10110	3.1
123.08092	1.7
125.09708	0.9
125.83039	0.8
127.03917	2.9
127.07466	0.9
128.06223	1.2
129.07001	6.0
131.08533	2.4
133.06480	1.1
133.10135	4.2
135.08026	1.0
135.11682	2.9
137.05991	1.4
139.11137	1.1
143.08601	2.7
145.04956	1.0
145.10091	4.8
147.08026	1.1
147.11690	13.1
151.07559	1.5
151.11209	1.4
161.09636	2.3
161.13196	3.7
163.11212	1.1
171.11685	11.3
179.10710	2.2
182.15387	1.7
189.12781	3.7
197.11720	1.9
207.13831	8.2
210.14914	2.2
213.14859	1.4
214.18010	3.0
249.69620	1.0
281.17480	100.0
282.17743	3.7
292.26251	1.2
369.24042	1.1
461.28708	2.8
462.22894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.0
55.01873	9.9
55.05513	41.6
57.03439	10.3
58.04347	2.4
65.03949	5.3
67.05507	90.4
69.03452	3.0
69.07075	27.3
69.28043	2.4
71.04977	7.8
79.05496	75.6
79.71893	2.4
81.03430	5.9
81.07061	75.2
83.04986	8.2
83.08628	23.3
85.06533	5.9
91.05485	92.9
91.06062	4.9
93.07053	72.8
95.04979	20.3
95.08617	40.8
97.02924	3.4
97.06550	12.2
97.10156	13.3
98.78172	2.9
103.05476	4.0
105.04494	3.3
105.07033	64.2
107.04982	19.1
107.08596	34.7
109.06538	11.2
109.10168	19.7
111.08125	4.7
115.05483	7.3
116.06261	2.3
117.07032	51.1
117.07810	3.8
119.04919	2.9
119.08585	33.8
121.06518	16.7
121.10106	16.4
123.04438	8.0
123.08096	7.2
125.09634	6.6
128.06239	12.0
129.07008	52.7
131.04974	5.5
131.08569	74.5
133.06529	12.1
133.10141	21.5
135.08072	9.3
135.11703	12.6
137.06024	5.3
137.09576	3.4
141.07031	25.9
142.07820	5.9
143.08580	47.6
143.62520	2.7
145.06520	18.7
145.10126	31.0
147.08061	9.2
147.11685	12.6
149.05995	10.1
149.09669	11.6
149.13277	5.3
151.11218	3.4
152.83766	2.9
153.07031	6.2
155.08574	32.0
156.09175	3.1
157.10123	20.7
159.08073	10.1
159.10605	2.8
159.11687	16.9
161.09644	5.6
161.13272	4.7
163.07588	8.2
163.11198	5.8
165.07057	4.2
167.08578	16.3
169.06439	3.3
169.10127	22.3
171.08067	7.1
171.11697	17.5
173.09663	8.1
173.13258	6.4
175.11240	5.7
177.12802	6.3
179.08598	7.0
180.09274	3.2
181.10092	11.9
183.11661	16.9
185.09604	3.8
185.13219	9.0
187.11179	3.4
189.11237	2.9
189.12769	4.0
193.10185	6.7
194.84142	2.4
195.11714	16.4
197.13330	11.4
199.11223	2.7
199.14836	4.8
201.12862	4.8
207.11772	6.7
207.13692	5.4
209.13336	10.9
211.14856	10.5
213.12782	4.7
215.14310	15.2
217.15848	5.5
219.13899	3.3
221.13286	8.5
223.14772	11.9
229.16061	3.7
233.13382	3.4
235.14877	8.6
237.12634	3.5
239.14407	7.8
241.16069	3.5
253.15948	7.3
257.15460	9.4
267.17484	3.9
271.17072	8.7
275.16461	3.2
283.17133	2.9
285.18497	3.5
305.22540	3.2
308.23889	2.7
323.23795	7.2
333.22107	17.5
341.24927	17.1
351.23190	54.4
369.24289	47.4
387.25259	20.6
425.27368	3.6
425.92148	2.6
433.29379	2.9
443.28009	87.3
444.28387	4.1
461.29044	100.0
462.29181	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
55.05518	8.2
57.03417	2.2
57.07065	6.0
67.05511	12.5
69.07075	14.7
71.05005	8.2
71.08620	2.0
72.04516	2.2
79.05476	5.1
80.91273	1.5
81.07056	31.1
83.05014	2.3
83.08604	8.1
87.08098	2.6
91.05480	5.7
93.07049	15.3
95.04961	3.5
95.08604	25.1
97.10154	5.7
98.98434	1.9
105.07018	5.9
107.08597	11.4
109.06522	3.2
109.10157	16.5
119.08562	8.2
121.06496	3.2
121.10157	8.2
123.08086	2.3
123.11694	7.5
123.56959	1.6
127.11138	1.7
131.08588	2.0
133.10124	3.2
135.08006	3.7
135.11671	8.9
137.05966	10.6
137.13252	6.1
139.03902	2.7
139.07495	4.1
139.11165	1.9
141.05444	6.8
145.10165	2.7
147.08035	2.5
149.05946	4.0
149.13252	4.9
151.07568	15.3
153.05482	2.5
159.11757	2.4
161.05934	1.9
161.15887	1.6
163.07524	1.7
163.14830	1.8
165.05453	11.9
165.07909	1.6
165.09077	10.4
167.07042	100.0
168.07277	2.5
175.07449	2.5
175.14830	1.8
177.09116	4.8
177.16389	2.8
179.07016	4.6
181.08646	2.3
187.11154	2.4
189.09073	6.2
189.16286	1.7
191.07001	4.3
191.10651	2.2
191.17921	2.1
193.08649	2.0
203.10730	3.2
205.08669	9.6
205.12236	2.7
207.10141	9.4
215.10681	4.6
219.10164	5.0
233.11697	2.6
247.13344	2.8
274.21576	1.7
275.16443	2.0
286.37427	1.6
289.25455	1.9
337.17395	1.8
357.24197	3.8
373.27371	3.5
375.25116	6.1
425.30521	11.4
443.31421	28.6
444.31934	1.7
461.19583	3.7
461.37006	8.1
462.15033	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	461.3264
Annotation	Polyporusterone G
Peak:m/z	Relative Intensity
55.01876	1.0
55.05506	9.7
57.03443	1.1
57.07077	5.4
58.08014	0.9
59.04998	3.2
65.03935	1.8
65.23030	0.8
67.01857	1.5
67.05511	9.8
69.03432	3.4
69.07070	14.5
71.04993	2.3
71.08652	1.3
71.44505	0.9
74.25739	0.9
79.05481	6.4
81.03418	1.0
81.07055	22.3
81.07513	2.0
83.04975	2.1
83.08608	7.1
85.06546	2.4
91.05476	4.8
93.06517	1.8
93.07048	15.9
95.04956	1.8
95.08603	22.5
97.06525	3.7
97.10160	4.1
105.04585	1.1
105.07013	5.3
107.08590	10.9
109.06538	2.4
109.10151	15.0
111.08073	1.9
117.07026	2.0
119.04915	1.0
119.08560	5.8
121.06513	3.5
121.10144	8.7
123.08093	3.1
123.11710	6.2
125.09602	2.8
129.06993	1.3
131.08571	1.8
133.10150	3.1
135.08032	2.6
135.11676	7.7
136.19640	1.0
137.05971	11.5
137.09607	1.6
137.13266	4.0
138.06784	0.9
139.03952	1.0
139.07570	4.9
139.11140	1.4
141.05423	1.2
145.06480	1.4
145.10088	2.2
147.08040	2.5
147.11656	2.7
147.23097	1.0
149.05933	5.2
149.09616	1.9
149.13248	3.6
151.07539	24.6
151.14740	1.0
153.05472	2.2
157.10132	1.9
159.08051	2.3
159.11644	1.8
161.06015	4.2
161.09589	1.3
163.07581	2.4
163.14873	2.1
165.05510	9.4
165.09135	7.9
167.07033	100.0
168.07407	1.4
173.09586	1.8
175.07535	4.9
175.11273	2.0
177.09148	4.9
177.16330	1.3
179.07066	3.0
179.10703	2.1
181.08626	3.3
185.09549	0.9
187.07487	1.2
188.08357	1.3
189.09123	13.7
190.09755	1.2
191.07083	3.4
191.10683	2.0
191.17958	1.8
192.07695	1.2
193.08522	4.5
193.12305	1.2
197.02150	1.2
201.09221	1.9
203.10678	10.9
205.08601	8.6
205.12320	2.3
207.10143	8.6
215.10657	3.4
217.12222	3.8
219.10126	3.4
221.11768	2.0
229.12311	1.6
231.13905	1.7
233.11736	2.0
235.13341	1.2
247.13528	1.1
279.26953	1.5
303.27094	1.1
357.24451	1.4
397.30902	1.5
401.30353	2.3
407.29242	3.1
425.30466	21.8
443.31549	46.8
444.31812	3.6
461.32727	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	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30058	0.3
55.05507	0.7
60.93235	0.3
65.17686	0.3
67.05505	3.3
69.07069	1.6
69.09801	2.2
72.08160	4.5
79.05505	0.3
81.07059	2.7
83.04987	0.6
83.08605	0.7
91.05511	0.5
93.07047	1.0
95.08620	2.8
97.10168	0.5
105.07045	0.3
107.08588	1.0
109.06481	0.5
109.10159	5.4
119.08588	2.9
121.06504	0.4
121.10152	0.6
122.07316	1.6
123.08002	0.4
123.11711	0.9
129.68286	0.3
135.08038	0.4
135.11685	0.7
136.08885	0.5
137.06017	0.8
137.09625	10.5
138.09967	0.7
139.11166	0.5
147.11771	0.4
149.09566	0.8
149.13306	0.6
164.08351	1.5
164.53247	0.3
165.09119	100.0
166.09447	4.5
177.09155	0.5
205.12248	0.7
205.19548	0.7
224.99846	0.3
291.26862	1.2
373.27362	0.5
384.29684	0.6
443.34921	7.3
444.34784	0.5
461.36758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03424	1.3
58.41851	0.6
69.03427	1.8
71.04980	2.9
71.48134	0.8
73.04753	1.4
74.27985	0.6
79.05483	1.1
81.03411	1.6
81.07077	1.0
83.04992	0.9
85.02910	6.9
86.09679	0.8
87.04467	0.7
89.03911	2.1
89.06037	10.4
91.05362	0.8
91.05840	1.6
93.07008	0.6
93.36208	0.6
97.02890	1.2
97.06528	0.6
98.23335	0.7
99.04465	0.8
103.03947	2.2
104.07146	0.8
105.07051	0.8
107.04959	2.2
109.02875	1.0
117.03378	5.6
117.05537	0.7
119.04962	1.1
121.02852	1.5
121.06482	0.7
122.72608	0.6
123.04408	0.7
127.03908	1.4
131.04898	1.3
131.08530	1.2
133.02879	3.1
133.08611	4.0
135.04503	0.6
137.06026	1.1
138.03175	0.8
139.03880	2.1
140.07036	0.8
145.02853	16.7
147.04407	1.4
149.02353	1.5
149.04456	0.8
149.05945	2.2
150.03137	3.8
151.03937	1.8
153.05492	1.4
154.08606	2.6
159.04463	3.1
161.06100	0.8
162.03120	0.8
163.03903	1.4
165.05441	1.0
166.02640	1.5
167.05574	1.5
171.04466	0.7
175.03957	2.6
175.05965	0.7
176.04712	1.4
177.01860	10.4
177.05466	34.3
177.11269	0.7
178.02448	0.7
178.05923	1.3
179.03410	2.4
181.04961	10.3
187.03912	2.3
189.05455	0.8
190.02510	0.7
191.03406	5.8
191.07060	0.8
193.04979	2.9
194.02124	6.2
195.02907	2.8
197.04497	3.1
199.03802	0.8
201.12721	0.8
204.04181	2.2
205.04988	7.3
207.02861	1.1
207.06462	0.8
209.04463	100.0
210.04811	2.6
211.02480	1.5
215.03395	1.7
218.02182	0.6
219.03050	1.6
219.06573	2.6
221.04433	4.0
223.05907	0.8
225.04198	1.1
229.05009	0.9
233.04449	8.9
237.03830	0.7
243.02945	1.6
247.06041	5.8
247.13380	1.2
249.33510	0.7
251.05511	12.1
259.11157	0.8
260.03137	3.2
263.05408	3.6
265.10629	1.4
275.05502	8.9
281.06659	1.1
283.15656	0.7
293.06583	8.1
311.07571	3.7
327.20181	2.1
329.08701	3.5
353.84738	0.7
359.02899	1.8
391.10626	0.9
429.08795	1.2
445.13370	1.1
462.10547	1.4
462.21024	1.1
463.16925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01853	1.2
55.05491	0.5
57.03420	1.3
67.05493	0.7
68.99796	0.6
69.03429	5.8
69.07047	1.2
71.05000	2.7
71.44218	0.4
73.04749	0.5
74.09683	0.4
79.05465	0.6
81.03421	4.2
81.07045	1.2
83.04967	0.7
85.02409	0.9
85.02904	14.7
87.00835	4.1
87.04449	0.6
91.04004	0.4
91.05466	1.7
93.07049	4.2
95.04958	1.4
95.08595	1.1
97.02893	2.7
97.06535	0.7
99.04441	2.0
105.01867	3.4
105.03394	0.4
105.07005	2.8
107.08595	13.1
109.02885	4.2
109.06502	0.7
109.10146	1.1
111.04454	0.6
119.04880	0.5
119.08587	2.2
121.06506	1.2
121.10094	0.6
122.77083	0.4
123.04435	0.6
123.11731	0.4
127.03926	7.9
129.01772	0.5
129.05453	1.4
131.08566	0.7
133.09184	0.8
133.10127	12.5
135.08102	0.5
135.11690	15.0
137.05960	0.6
137.09599	1.2
139.03894	2.2
140.04251	0.6
143.07019	0.6
145.04924	1.7
145.10147	0.5
147.06506	0.7
149.09634	0.7
151.03925	0.6
151.07616	0.5
151.11179	1.6
159.02856	1.1
159.11604	0.4
161.09602	7.0
163.11243	0.5
167.05530	0.4
167.10457	0.4
175.07425	0.5
179.10663	26.5
180.10986	0.6
197.11722	100.0
198.12054	2.6
199.11201	0.7
201.12714	0.5
213.03882	0.9
217.12163	0.7
227.12813	1.0
229.12215	0.9
231.04982	2.4
247.13402	2.1
265.14288	4.2
283.15497	0.6
300.04987	0.5
314.03125	0.5
359.02783	1.4
427.16080	0.6
429.08969	0.5
443.34784	0.5
445.16928	2.3
461.35883	2.9
462.35873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.9
69.69286	1.3
69.69635	1.3
71.04990	1.6
73.04768	0.9
79.05515	0.6
81.03435	0.6
81.07043	1.4
85.02881	4.5
91.05784	0.9
97.02869	1.0
99.04485	0.8
105.07014	0.8
107.04925	1.1
107.08582	0.7
109.02878	0.8
114.75556	0.6
121.06471	1.0
123.04400	5.9
124.03936	1.0
127.03911	0.8
137.05992	1.9
145.05002	1.1
145.06474	0.6
145.10124	0.7
147.04425	0.9
149.05971	10.1
149.09592	0.6
151.03891	1.2
151.07529	0.9
153.01842	7.2
153.02933	1.0
155.08551	0.6
159.08020	0.6
160.05199	1.5
161.05998	3.2
163.03906	2.6
163.07527	7.6
164.04674	0.9
165.05486	0.7
167.03375	1.8
167.05544	0.7
169.12271	0.8
173.05966	2.1
173.09608	1.1
175.07559	1.0
177.05478	2.4
177.09058	1.4
179.07025	1.6
187.07535	3.2
191.10620	3.2
197.08044	0.8
201.09128	11.5
203.07034	1.1
203.10663	2.2
203.12459	0.6
211.07486	1.0
219.10124	1.9
221.04504	0.8
229.08620	4.8
237.11302	0.8
247.05969	0.8
247.09599	2.8
260.03146	0.9
265.10712	100.0
266.11053	2.7
268.08136	0.6
275.05371	2.1
283.11719	1.9
312.60599	0.5
359.03033	0.9
427.15988	1.4
462.19424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61219	1.2
53.03942	1.9
55.05524	2.6
57.03436	1.9
61.02922	2.0
62.06088	1.3
65.03949	1.7
67.05499	3.7
67.97639	1.2
69.03426	7.8
69.07078	1.5
69.12312	9.1
71.04991	2.9
73.02924	2.5
73.04742	3.0
79.05487	3.9
81.03428	2.4
81.07050	3.6
83.04967	2.7
85.02905	16.7
90.46218	1.2
91.05473	5.7
91.05887	2.3
93.03375	1.5
93.07041	7.8
95.04955	6.6
95.08619	2.8
97.02906	4.2
97.06554	2.1
105.07024	9.2
107.04958	41.4
107.05690	2.9
107.08614	6.9
108.05273	13.3
109.02898	2.0
109.06509	6.1
109.10170	2.7
111.04438	7.0
113.05997	1.5
115.93947	1.3
117.07047	2.2
119.08578	21.9
121.02847	2.1
121.06506	4.9
121.10117	5.1
123.04417	4.1
123.08056	3.1
125.06021	2.2
127.03915	3.2
128.06183	1.7
129.07014	1.8
131.08568	11.4
133.06534	2.7
133.10144	5.9
135.02823	1.3
135.08073	9.6
137.05991	5.5
137.09604	2.5
139.03883	3.5
141.07080	2.0
142.07829	1.4
143.08548	5.3
145.04941	2.8
145.06502	2.2
145.10161	6.8
147.08006	7.1
147.11649	1.9
149.05971	2.6
149.09627	13.9
151.03925	1.8
151.07561	2.6
155.08562	1.8
156.09334	4.3
157.10118	4.6
158.07254	1.8
159.08072	6.2
159.11656	7.4
161.06036	1.4
161.09630	10.0
163.03940	4.0
163.07547	2.8
165.09134	4.8
167.05576	2.2
167.10678	3.7
171.11725	3.6
172.08870	2.1
173.09608	3.8
173.13203	4.1
175.07553	10.8
175.11220	3.5
177.05396	1.9
177.09068	2.1
179.30550	1.4
181.10141	4.2
183.11690	2.4
183.34042	1.5
185.09618	1.7
187.11214	6.5
189.09152	4.9
189.12721	2.9
193.08614	4.3
196.08809	1.9
197.08121	1.5
199.11200	18.2
201.12724	7.7
203.10675	5.3
205.12244	2.7
206.09425	1.5
207.10182	6.0
211.11189	4.8
217.04831	2.2
217.12233	18.9
218.05348	1.6
219.13736	3.7
225.04225	2.8
229.12166	8.9
235.13274	3.2
247.13292	63.5
248.13556	2.1
265.14343	100.0
266.14642	5.9
283.15424	4.4
301.07089	6.9
329.10297	2.0
330.10284	3.0
359.02914	4.5
384.11591	3.9
396.11639	5.0
408.11371	3.3
429.08582	2.2
438.41254	1.7
462.35666	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.3
61.02918	1.8
69.03428	7.9
69.61221	1.2
71.01338	1.0
71.04982	0.5
73.02915	13.0
77.87074	0.4
78.91460	0.4
79.05476	0.6
81.03416	0.7
85.02406	0.7
85.02900	11.1
87.04431	0.9
91.05466	3.8
92.50728	0.4
93.07051	1.0
97.02264	0.5
97.02889	10.1
98.23417	0.4
99.04451	0.8
103.03985	0.5
105.07023	18.6
105.67148	0.4
109.02879	0.8
115.03146	0.4
115.03925	7.9
117.07001	1.5
118.07813	1.4
127.03922	3.0
129.06989	1.0
131.08557	2.3
133.04991	2.8
133.10123	100.0
134.10471	2.3
145.04941	3.5
145.06447	1.0
147.11685	1.5
150.07608	1.4
163.06024	1.2
171.11681	1.0
173.13213	0.6
175.11191	1.2
180.08701	0.4
187.11185	1.2
191.10637	0.6
199.11157	0.4
217.12227	1.2
223.06047	1.0
229.12428	1.0
241.07124	0.6
247.13321	1.5
250.37741	0.5
259.07999	0.8
334.24597	0.5
462.29449	3.3
463.32483	4.6
484.11862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01875	1.5
56.85596	0.7
57.03437	43.3
58.84888	0.8
60.04523	1.0
61.02927	14.6
69.03429	33.7
69.26242	3.4
71.01362	3.6
72.04517	1.0
73.02915	100.0
74.03252	1.0
81.03425	4.4
81.07052	0.8
82.83097	0.8
85.02903	53.1
87.04475	3.4
91.03960	2.3
91.05459	1.4
96.04506	1.7
97.02890	56.2
98.03268	1.0
99.04457	2.3
103.03927	0.9
107.04936	1.1
109.02892	3.3
109.06516	52.6
110.06849	1.8
110.25100	0.7
115.03928	61.3
116.04324	1.0
119.06047	1.0
121.06548	1.2
122.22681	0.8
127.03906	18.5
128.39143	0.8
132.06587	3.3
133.04970	18.3
133.06490	1.7
135.08060	0.7
137.05940	1.0
142.22130	0.9
144.06531	3.9
145.04951	24.9
147.08005	0.7
150.07625	11.1
151.11174	48.4
152.11620	1.1
162.07661	2.5
163.06017	9.1
163.07335	1.2
163.11159	6.5
164.08752	0.7
175.07570	2.1
175.11241	1.6
180.08693	6.9
187.11250	3.2
191.10573	0.9
193.05060	1.0
199.06065	1.0
217.12225	3.8
223.05986	6.0
241.07056	8.2
247.13300	1.8
259.08096	6.1
259.13254	0.9
264.83051	0.7
265.14413	1.5
277.14429	2.0
282.01779	0.8
294.11856	0.8
295.10333	3.1
295.15585	0.9
312.13132	1.2
330.19031	2.1
462.23660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71560	1.2
56.97615	1.2
57.03447	1.2
57.77752	1.2
61.02960	1.4
65.03935	1.6
67.05542	2.1
69.03099	1.1
69.03423	5.9
69.07059	1.2
70.39355	2.6
71.05016	1.3
73.02905	4.4
73.04752	6.7
73.05774	1.1
79.05465	1.7
80.38262	1.0
81.03427	1.6
81.07048	2.2
84.36429	1.1
85.02905	5.2
91.05858	8.1
93.07043	5.0
95.04980	7.0
95.08611	2.3
97.02908	3.9
97.91176	1.1
105.07016	8.7
107.08569	3.2
109.06522	4.6
110.97664	1.1
111.04456	3.7
117.07037	1.5
119.08574	8.4
121.06516	4.5
121.10095	1.5
123.04455	2.0
123.08079	5.0
127.03918	1.8
129.06978	1.7
131.08575	5.0
133.06447	1.6
133.10127	2.0
135.08052	10.4
137.05951	1.4
137.09593	2.7
139.03915	1.9
139.07506	1.4
142.07741	1.6
143.08513	2.2
144.05751	1.2
144.09412	1.5
145.06474	1.4
145.10123	3.2
147.08012	5.5
149.04512	1.6
149.05946	1.6
149.09653	2.2
155.08574	1.6
156.09361	2.4
157.10146	3.2
158.07257	1.6
159.08096	6.7
159.11696	4.4
161.05943	1.9
161.09624	7.8
163.07585	3.7
165.09116	4.3
167.05548	6.2
168.09254	1.6
171.11667	1.5
172.08865	2.8
173.09671	3.6
173.13280	4.8
174.05592	1.3
175.07549	9.3
175.11188	4.9
179.07065	1.7
182.05267	1.4
183.11691	2.0
186.10474	1.2
187.11195	6.5
189.09106	2.3
189.12691	1.3
190.68156	1.2
193.08566	2.3
196.08801	1.1
199.11180	4.6
201.12798	5.0
203.10648	5.1
205.04677	1.6
209.04488	2.5
210.04889	1.7
211.11188	3.8
212.07137	2.7
217.12260	3.7
219.13742	1.2
225.04323	2.7
229.12250	5.9
235.13335	2.6
247.13281	24.5
248.13518	1.4
252.05844	2.3
264.05911	2.7
265.01736	1.5
265.14331	100.0
266.14746	3.0
275.05475	1.4
275.33688	1.2
278.10263	1.7
294.06863	2.7
301.07025	4.1
312.08020	1.7
342.99768	2.2
359.02859	12.8
429.08853	5.8
445.12122	1.6
452.97839	1.2
462.17496	1.5
463.16223	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06876	1.7
55.05505	4.0
61.02911	1.9
67.05498	5.1
69.03419	3.6
69.07057	5.6
69.23393	7.8
73.02936	1.9
73.04773	3.6
79.05482	4.8
81.03419	3.1
81.07055	5.5
85.02899	14.3
87.00819	1.9
91.05842	4.3
93.07038	5.7
95.04899	1.6
95.08608	6.2
97.02889	5.5
97.10172	3.2
99.04446	1.5
101.65867	1.6
105.07018	3.9
109.02877	3.4
109.10163	2.3
110.03350	1.4
111.04446	15.8
121.06481	3.4
121.10162	4.1
123.04430	21.9
123.92380	1.4
127.03922	5.6
133.10136	3.3
135.04445	1.8
137.05980	4.3
138.06758	2.8
139.03899	76.4
143.19252	1.5
147.04411	5.6
147.48642	1.8
149.05983	10.8
151.03888	2.2
151.07571	7.3
153.05533	1.9
159.02934	1.7
161.05972	4.9
163.03903	3.6
163.07567	9.3
165.05490	14.0
171.11604	1.5
173.05942	3.7
179.07033	10.0
179.10686	9.7
187.07556	1.9
188.08278	2.6
189.09206	2.0
191.10663	5.3
193.53452	1.5
197.11789	2.8
203.10706	7.2
207.10175	7.1
217.12245	2.4
219.13744	1.9
221.11681	7.7
229.12186	4.8
245.11600	4.1
247.13316	5.1
263.12918	1.8
265.14328	100.0
266.14597	4.5
283.15359	37.6
284.15878	1.8
287.12790	6.9
305.13766	2.8
331.15622	2.7
349.16541	2.1
359.02820	3.7
373.16599	2.3
429.08887	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	462.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89771	6.2
53.90067	9.2
57.86999	6.6
69.07056	13.6
71.08593	6.7
71.35571	7.5
83.08595	7.8
118.49507	7.1
123.04429	100.0
149.05992	12.3
160.32620	6.9
161.05994	16.9
185.40164	7.0
188.56737	6.9
189.09166	19.0
191.10626	13.4
203.10699	13.0
207.06502	11.5
209.48651	8.0
343.26334	18.3
357.43689	8.7
385.27344	17.0
462.31885	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	462.358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14928	73.0
78.08905	100.0
82.28562	85.1
107.08652	74.8
119.09948	70.2
121.36472	73.2
128.41220	75.4
154.60939	74.9
160.35873	83.5
246.69835	92.1
417.06219	86.6
432.81473	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
57.07067	1.3
67.05501	3.7
69.07068	2.4
79.05460	1.5
81.07040	3.0
83.08598	1.2
93.07041	1.7
95.08598	3.4
96.08932	0.9
103.40783	0.9
107.08604	1.5
109.10153	6.2
119.08582	3.4
121.06506	8.5
121.10207	1.3
122.07277	1.4
126.55313	1.0
135.08038	1.6
136.08841	13.7
137.09624	10.7
147.11742	1.1
149.09644	2.0
152.08322	1.5
154.96767	1.0
164.08342	37.9
164.09705	2.2
165.09122	100.0
166.06274	2.6
166.09436	6.4
167.07079	1.2
177.09175	2.5
191.10593	1.6
198.59602	0.9
203.10695	1.1
205.12233	7.9
246.99805	0.9
324.52646	1.1
426.34976	12.5
444.36008	56.8
445.36499	5.2
462.37683	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	463.1237
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
53.03946	0.6
55.05510	0.4
57.03440	3.4
67.05501	0.5
69.03416	1.1
69.07072	0.4
69.82913	0.8
71.04993	22.6
73.02890	0.6
75.04487	0.6
79.05489	0.5
81.03411	0.6
81.07056	1.1
82.89086	0.3
83.04963	1.0
85.02903	21.0
87.00845	0.3
87.04476	0.5
90.92760	0.2
91.05434	0.6
92.02618	0.7
93.03404	1.0
93.07033	0.4
95.05006	0.3
95.08596	0.5
97.02907	0.7
97.06486	0.3
105.07043	0.7
107.08590	1.0
109.02896	0.4
119.08581	0.4
120.54315	0.3
121.02850	0.9
121.10154	1.1
123.11734	0.3
126.03163	0.5
127.03876	0.6
129.05469	4.6
131.08603	0.4
133.10115	1.5
134.10474	0.8
137.05975	1.2
139.03917	0.6
147.06520	0.9
147.07970	0.3
151.03877	0.9
151.07544	0.9
153.01819	7.6
159.11771	0.4
161.05963	0.3
165.01840	0.5
165.05501	0.3
166.02538	0.4
181.12267	0.4
183.02847	0.3
195.29314	0.3
201.05492	0.5
203.03360	0.4
217.04985	0.6
218.05876	0.4
228.04170	1.4
229.04979	2.0
231.02936	0.5
243.16045	0.4
245.04433	1.3
246.05328	1.2
257.04395	2.0
260.03293	0.5
269.17462	1.0
273.03900	1.5
274.04681	4.1
285.03909	2.4
287.12650	0.5
302.04193	12.2
303.04550	0.3
317.06540	100.0
318.06900	3.9
329.06686	0.3
331.15378	0.5
359.07690	0.6
427.09787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Tamarixetin 3-rhamnoside
Peak:m/z	Relative Intensity
52.47411	0.3
54.23826	0.3
55.05497	0.4
55.50818	0.3
57.03436	1.2
59.04999	0.3
61.02926	0.6
67.05492	1.0
69.03439	0.7
69.67283	1.1
71.04992	4.3
73.02885	0.4
75.73238	0.3
79.05486	0.8
79.50291	0.3
81.07065	0.5
83.04997	0.5
85.02906	4.6
93.03373	0.4
93.07047	0.6
95.04976	0.6
95.08597	0.8
97.02872	0.6
97.06541	0.4
97.10216	0.3
98.23383	0.6
107.08597	0.7
109.10152	0.9
110.03725	0.7
111.04453	0.6
119.08593	0.7
121.10167	0.3
123.04427	0.3
127.03901	0.4
129.05501	1.0
131.08594	0.5
133.10165	0.4
135.07957	0.3
137.02365	1.2
137.05937	0.4
139.03914	1.8
151.03943	0.6
153.01808	1.6
167.03391	0.5
181.08591	2.6
183.79738	0.3
186.31158	0.3
197.11736	0.4
200.04692	0.5
215.14719	0.4
228.04230	2.0
229.05020	0.7
229.14378	0.4
245.04512	0.9
256.03766	0.7
257.04446	0.7
264.69464	0.3
265.30740	0.3
273.03976	0.7
274.04782	3.4
283.18695	0.4
285.03882	1.1
286.04773	0.9
289.07080	0.4
299.05545	0.3
301.03436	9.0
301.07034	2.6
302.04202	23.2
303.04550	1.3
317.06549	100.0
318.06931	3.8
331.13440	0.6
343.99164	0.3
445.16232	0.4
463.12158	0.9
463.17776	4.6
481.57306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1577
Annotation	Exoticin
Peak:m/z	Relative Intensity
54.60324	0.4
69.03426	0.8
69.81317	0.8
69.81703	0.9
71.96089	0.4
83.04971	1.4
85.02915	1.1
95.46642	0.4
107.08582	0.9
109.06489	0.5
109.10130	0.5
116.04025	0.4
135.08017	0.5
151.03896	0.9
151.11174	0.5
163.07657	0.5
166.90823	0.4
169.12239	0.8
232.87302	0.4
249.56544	0.4
301.07175	0.9
301.10425	8.7
419.16696	2.4
463.15744	100.0
464.16055	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	463.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94074	0.3
55.01846	0.3
55.05455	1.3
55.05700	0.4
56.96511	13.6
56.96817	1.0
57.03392	0.6
67.05441	3.7
69.07014	1.4
71.95226	0.5
72.96011	0.6
79.05493	3.2
80.27265	0.3
81.03378	0.5
81.07058	4.1
83.08566	0.8
87.66196	0.3
89.47244	0.3
91.05457	2.1
93.07046	2.9
95.04961	1.6
95.08599	1.8
95.67365	0.3
97.06453	0.5
97.57916	0.3
101.46566	0.3
105.07037	2.1
107.04911	0.5
107.08523	1.2
109.10114	0.9
110.97533	0.8
111.08088	0.3
115.00643	0.4
117.06954	0.9
119.08572	1.5
121.06456	0.3
121.10090	1.1
121.19865	0.3
128.98540	0.4
129.06993	0.7
131.08586	2.2
133.10078	0.9
135.11615	0.8
137.02713	0.8
141.02196	0.6
143.03711	0.4
143.08513	0.9
145.06461	0.3
145.10072	0.8
149.13297	0.8
155.03722	0.4
155.08565	0.3
157.10013	0.4
159.03224	0.7
159.11646	0.8
161.04907	0.5
169.05283	0.4
171.03258	0.4
171.11670	0.5
181.05438	0.5
181.10138	0.3
185.04778	0.5
187.06296	0.4
195.06862	2.4
195.13748	0.6
197.08360	0.4
199.06412	1.9
203.05873	0.5
207.06895	1.0
212.85851	0.4
213.07971	20.2
214.08281	0.5
217.07443	2.4
221.08383	1.0
223.10051	0.7
225.07971	4.7
225.11586	0.8
231.09024	20.2
231.97887	0.3
232.09288	0.4
233.08514	0.7
236.09561	1.5
239.09549	3.5
241.10988	0.7
243.08984	2.7
245.03476	0.4
248.09462	0.4
251.09492	13.8
252.09935	0.6
254.10710	0.7
257.10660	1.8
257.69669	0.4
269.10587	100.0
270.10895	2.8
287.11646	54.6
288.11990	1.8
292.12158	10.5
293.12482	0.6
310.13251	3.2
326.12549	0.4
333.14874	0.4
343.26318	0.7
353.24661	0.6
371.25620	1.4
382.27914	0.4
389.26877	1.4
445.29199	2.8
463.23755	56.7
463.30417	9.2
464.24081	3.3
464.30304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Kazinol K
Peak:m/z	Relative Intensity
55.05510	0.9
63.87871	0.4
67.05502	0.4
69.07071	0.8
71.11023	0.7
79.19370	0.4
81.07063	0.9
104.57472	0.4
108.55025	0.4
108.92999	0.4
123.04452	0.5
125.12004	0.4
137.02348	0.4
137.05975	6.8
138.06322	1.4
139.07559	0.5
145.06357	0.4
151.07481	0.6
163.07550	1.0
164.07959	0.4
175.07632	0.4
177.09145	0.5
178.09401	0.5
185.06244	0.4
190.24014	0.5
253.08621	2.6
254.09447	1.5
267.10168	2.4
281.08023	4.5
282.08859	6.7
283.09546	0.8
294.08887	1.7
295.09641	11.9
295.12985	0.8
296.10443	9.5
297.11017	0.6
307.13226	1.2
308.10510	0.7
309.11212	12.9
309.14481	0.5
310.11761	0.6
320.32037	0.4
321.14890	1.4
323.12796	3.5
331.26300	0.8
332.26663	1.3
337.14325	1.0
351.15894	2.2
365.17529	1.6
391.22882	1.1
395.57462	0.4
402.07660	0.5
402.34402	1.0
405.20605	0.7
419.22238	4.8
433.23816	1.1
447.25479	0.4
463.28445	100.0
464.28818	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	463.3053
Annotation	Dacryhainansterone
Peak:m/z	Relative Intensity
53.03926	2.5
55.01871	4.6
55.05514	16.8
57.03433	4.1
61.80586	1.7
62.93422	1.8
67.05505	37.1
69.07081	16.6
71.04993	4.4
76.14621	2.2
79.05494	27.0
81.07059	37.3
83.04986	2.9
83.08624	5.8
91.05481	40.4
93.07047	35.6
95.04975	5.0
95.08617	24.7
97.06532	4.6
97.10168	4.0
99.08105	2.1
105.04539	3.7
105.07041	40.8
106.57860	1.9
107.04964	2.7
107.08601	15.1
109.06504	3.6
109.10149	9.5
113.91163	2.0
116.08519	1.9
117.07027	21.2
119.08584	28.4
121.06492	4.8
121.10117	12.6
123.08126	3.7
128.06201	3.3
129.06998	17.1
130.07848	2.0
131.08577	33.9
133.06490	2.9
133.10127	17.4
135.08069	3.0
135.11710	6.8
137.06017	2.1
141.07011	6.5
143.08594	13.1
145.06471	3.7
145.10121	20.0
147.08073	4.4
147.11673	3.2
149.09634	4.1
149.13243	2.8
155.08585	7.0
157.10190	11.0
159.11676	7.7
161.13326	2.5
165.09138	3.9
166.09506	3.2
167.08580	2.3
169.10110	6.7
171.11758	5.7
173.13260	3.0
177.12778	2.3
181.10107	4.6
183.11746	4.8
185.13303	4.3
185.60687	2.1
187.14789	3.0
192.96532	1.9
195.11642	3.2
197.13304	6.7
199.14908	2.6
209.13181	2.4
211.14867	3.4
217.15883	2.4
232.54301	2.0
246.41687	2.0
325.25308	6.4
335.23611	5.8
343.26282	7.1
353.24673	26.9
371.25848	32.0
389.26871	30.4
427.28589	2.8
445.29510	100.0
446.29742	6.2
463.30435	69.8
464.30917	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.01569	0.7
53.03948	2.7
55.01871	2.5
55.05509	19.3
57.03435	6.9
57.07074	2.8
59.05008	0.7
61.86144	0.5
62.95015	0.5
65.03934	3.1
67.05502	75.9
68.05831	1.2
69.03444	0.6
69.07066	26.5
71.01336	0.9
71.04990	5.1
71.08613	0.6
73.02930	0.6
77.03918	1.7
79.05490	47.6
80.05803	0.7
81.03410	1.6
81.07053	100.0
82.07391	1.8
83.04973	6.6
83.08120	1.2
83.08615	18.9
85.02891	0.6
85.06536	5.9
91.05476	26.0
93.07040	71.8
94.07368	0.7
95.04965	8.9
95.08599	23.1
97.06526	13.4
97.10167	2.0
98.23527	1.3
99.04455	0.7
99.08099	3.4
105.04515	3.5
105.07036	9.6
107.04941	0.8
107.08591	37.6
108.08888	0.6
109.06490	3.4
109.10150	3.5
111.08086	9.5
111.11714	0.8
113.09615	1.3
113.24137	0.6
117.06278	1.0
117.07026	10.4
119.06054	1.0
119.08544	4.1
121.06521	2.3
121.10141	20.8
123.08019	0.7
123.11688	2.9
125.09643	1.2
129.06999	1.0
131.08563	10.8
131.09447	0.5
133.10120	8.5
135.08051	1.7
135.11687	10.4
139.11183	2.2
145.10118	0.9
147.04410	1.3
147.11688	2.4
149.13249	54.3
150.13567	0.9
151.11058	0.7
157.10098	1.0
159.11684	18.4
165.12721	0.8
167.14275	1.3
176.97885	0.5
177.12730	9.9
191.07047	1.7
192.69502	0.5
195.13785	21.2
213.14835	7.0
245.39828	0.5
251.16408	1.3
269.17313	1.0
371.25381	1.1
445.29266	1.6
463.30539	88.4
464.30576	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	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02375	0.9
52.63565	0.6
53.03945	2.5
55.01867	2.6
55.05512	19.4
55.05785	1.2
57.03436	5.1
57.07074	3.3
59.05000	0.7
65.03948	3.6
65.47260	0.6
67.05503	81.7
69.07069	27.7
69.07448	1.5
69.81652	0.6
71.04987	5.9
71.08639	0.9
71.77935	0.6
77.03952	1.7
79.05492	53.3
81.03427	6.4
81.07055	100.0
82.07394	1.4
83.04982	7.8
83.08620	18.4
85.06529	4.6
91.05480	34.4
92.05814	0.8
93.07042	64.1
94.07404	0.9
95.04965	12.1
95.08604	24.7
97.06532	12.6
97.10173	2.3
99.08110	3.7
105.04526	2.9
105.07027	14.9
107.04985	1.1
107.08591	38.7
109.06514	3.7
109.10162	6.3
111.08083	8.3
111.11697	0.8
113.06010	1.4
115.05425	1.0
117.07007	12.7
119.08578	5.7
121.06493	2.6
121.10138	19.3
123.08050	0.8
123.11688	4.1
125.09618	1.1
127.07555	0.9
129.07004	2.7
131.08560	12.7
131.09468	1.1
132.08926	0.8
133.10123	16.1
135.08069	2.9
135.11690	12.5
137.09505	0.8
139.11153	1.2
143.08565	2.3
145.10127	1.3
147.11699	1.9
149.13249	37.8
150.13571	0.9
151.11206	2.9
155.08557	0.9
157.10144	1.8
159.11679	16.4
167.14317	2.7
169.10065	0.6
169.19179	0.7
171.11635	0.9
173.09663	0.6
177.12746	7.3
181.04985	1.6
185.13206	1.1
193.12177	1.1
195.06532	2.5
195.13802	23.1
195.15591	1.3
209.08038	2.1
213.14833	3.7
223.09805	0.8
233.15265	1.0
237.11188	1.1
251.12801	1.0
251.16406	1.7
253.14357	1.8
325.25140	0.7
343.26483	1.0
353.24576	2.1
371.25790	2.9
375.17755	0.7
389.26843	2.6
433.77557	0.7
445.29523	4.5
463.30362	98.1
464.30795	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01861	2.9
55.05507	17.9
57.02314	0.4
57.03436	7.0
57.07071	3.6
59.04991	0.4
65.03933	4.1
67.05499	75.9
68.05826	0.5
68.36044	0.4
68.60515	0.5
69.03398	0.6
69.07063	27.9
70.15812	0.6
70.16116	0.6
71.01352	0.8
71.04983	5.2
71.08627	1.0
73.02921	0.7
73.04741	0.6
73.06550	0.5
77.03927	1.0
79.05487	51.2
80.05815	0.9
81.03414	3.1
81.07050	100.0
82.07394	1.9
83.04972	8.7
83.05439	0.7
83.08116	1.0
83.08613	16.1
84.08980	0.5
85.06532	5.6
90.46392	0.4
91.05470	25.0
93.07037	72.7
94.07372	1.8
95.04960	9.5
95.08599	23.4
96.08925	0.9
97.06524	13.4
97.10153	1.9
99.08099	4.2
105.04532	3.2
105.07026	9.5
107.04980	0.7
107.08588	39.2
109.06510	4.0
109.10128	2.8
111.08072	9.2
113.06023	1.1
113.09649	1.3
115.05483	0.5
117.07024	9.9
119.06093	0.9
119.08533	2.6
121.06526	1.7
121.10132	22.9
123.08057	1.0
123.11703	1.7
125.09607	0.5
127.07559	1.0
129.75412	0.5
131.08563	10.8
133.10126	10.2
135.08020	2.3
135.11674	9.3
137.97742	0.5
139.07544	1.1
139.11179	2.4
144.09337	0.7
147.11641	2.4
149.13243	52.2
150.13593	1.3
151.11234	1.2
157.10146	0.9
159.11679	20.3
159.84822	0.5
160.12032	0.5
165.12724	0.6
167.14334	1.5
177.12727	10.6
195.13786	21.1
197.92381	0.5
207.13698	0.4
213.14819	4.3
227.12697	0.7
251.16356	1.1
269.14313	0.4
269.17401	0.7
345.97202	0.6
377.03885	0.6
389.27246	0.5
445.29349	1.3
463.30527	85.2
464.30939	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01864	4.6
55.05512	30.6
57.03435	12.1
57.07090	7.3
65.03951	7.8
67.05507	84.7
69.07066	27.1
71.05003	10.5
74.54090	2.8
75.62463	3.7
79.05498	59.7
81.03423	7.3
81.07059	85.9
83.04990	7.5
83.08621	18.4
84.58965	3.7
85.06551	10.2
91.05477	73.9
93.07050	68.2
95.04996	14.6
95.08617	46.8
97.06538	11.5
97.10209	8.3
105.04463	4.7
105.07029	65.2
107.04984	9.1
107.08597	38.4
109.06497	8.2
109.10172	20.6
111.08084	4.9
115.05442	3.6
116.51335	3.6
117.07020	29.9
119.08586	41.5
121.06533	8.7
121.10146	20.7
123.04373	3.8
123.08107	4.9
128.06200	5.5
129.07021	22.1
131.08571	56.4
132.15862	3.3
133.06477	6.9
133.10135	23.1
135.08090	6.2
135.11681	10.9
139.55318	3.8
141.07025	6.6
143.08562	19.7
145.10149	36.1
145.37122	3.8
147.08081	8.0
147.11723	14.2
149.05939	5.0
149.13226	17.8
151.11211	5.1
153.05505	4.1
155.08542	16.0
157.10150	17.5
159.11664	21.5
161.13310	4.1
163.11235	5.1
167.08554	6.2
169.10135	10.7
171.11679	15.8
173.09628	3.8
173.13292	8.1
183.11723	10.0
185.13252	5.4
187.07570	4.4
187.14813	5.6
195.06587	6.3
195.11725	5.8
195.13728	5.9
197.13303	7.0
199.15002	4.2
206.12221	3.4
209.08067	4.2
209.13197	7.2
211.14847	5.4
213.12743	3.8
241.15768	3.6
251.12804	3.1
259.16885	5.3
273.18427	5.2
325.25372	7.6
335.23700	12.5
343.26303	13.1
353.24756	35.4
371.25848	49.2
372.26016	4.3
389.26849	45.6
413.62137	4.2
427.28375	7.0
441.19919	5.4
445.29486	100.0
446.29111	6.3
463.25662	22.6
463.31244	63.6
464.30994	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	463.3056
Annotation	Norquadrangularic acid A
Peak:m/z	Relative Intensity
53.03922	3.1
55.01862	3.2
55.05515	20.3
57.03440	8.5
57.07081	3.3
62.88630	1.5
65.03947	3.1
67.05508	56.2
69.07076	19.2
69.74803	1.5
70.68913	1.7
71.04996	4.2
79.05494	43.7
81.07059	57.2
83.04987	4.3
83.08620	9.9
85.06535	2.8
89.33878	1.3
91.05481	63.5
93.07050	44.6
95.04972	10.1
95.08608	32.1
97.06529	5.7
97.10162	2.6
99.08104	2.1
102.32132	1.3
103.05455	2.9
105.04555	2.8
105.07032	54.3
106.19262	1.4
107.04950	5.6
107.08601	22.9
109.06528	6.4
109.10146	13.0
111.08089	4.2
115.05447	3.1
117.07031	28.6
119.08592	33.5
119.51196	1.6
120.08894	1.4
121.06534	6.8
121.10149	15.0
123.08049	3.0
123.11752	3.2
125.09638	2.3
128.06232	4.3
128.76665	1.4
129.07001	19.3
130.07935	1.6
131.08568	46.6
133.06529	3.1
133.10133	21.3
135.08064	4.5
135.11731	7.3
137.09650	1.4
139.11195	2.0
141.07008	5.9
142.07829	2.1
143.08556	21.0
145.06538	3.0
145.10147	24.8
145.38120	1.5
147.08081	6.5
147.11646	8.0
149.09622	6.7
149.13310	2.5
155.08588	9.3
157.10127	15.7
159.08057	2.9
159.11703	12.9
161.09734	1.8
161.13281	4.5
163.11183	2.4
167.08572	3.8
169.10103	8.5
171.11703	10.7
173.09569	2.3
173.13281	5.8
175.11214	2.5
181.10132	5.1
183.11687	4.6
185.09673	2.1
185.13235	7.4
187.11270	2.3
187.14908	3.6
195.11752	4.6
197.13286	5.0
199.14874	4.4
209.13298	3.0
211.14825	4.6
215.14337	2.6
223.14868	3.7
225.16476	1.7
227.14314	2.7
229.96918	1.4
233.15375	2.1
237.16423	1.7
241.15962	2.7
247.16896	2.8
257.15619	1.5
261.18433	2.5
269.19098	1.5
271.16791	1.5
273.18460	2.2
285.18491	1.8
307.24252	1.5
311.20193	1.8
325.25214	6.0
335.23926	7.6
343.26413	11.9
353.24765	30.2
354.25385	1.8
371.25806	41.2
372.26337	2.5
389.26855	43.8
390.27414	2.5
417.30392	2.1
427.28552	4.0
445.29523	100.0
446.29895	7.1
462.92761	1.6
463.30542	61.6
464.30936	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03947	2.4
55.01875	4.6
55.05260	1.5
55.05510	24.1
55.98069	1.2
57.03433	9.1
57.07059	3.0
58.73532	0.9
59.04994	1.7
65.03932	4.3
67.05500	71.5
69.03445	1.9
69.07064	23.6
69.59016	2.9
69.59384	1.7
71.04984	4.3
73.06564	1.1
75.94589	0.9
77.03933	1.9
79.05486	58.0
81.03420	2.5
81.07052	72.9
82.07384	1.7
83.04981	6.0
83.08616	12.8
85.06536	4.6
91.05473	77.7
92.05798	1.4
93.07037	63.9
95.04962	12.5
95.08601	38.9
95.09214	2.0
96.08927	1.1
97.06529	9.4
97.10178	5.6
97.10696	0.9
98.23387	2.0
99.08078	1.7
103.05457	4.2
105.04501	3.3
105.07024	63.9
106.07395	1.5
106.29369	0.9
107.04948	4.9
107.08582	32.8
109.06509	7.4
109.10148	12.9
111.08073	4.2
113.21830	0.9
115.05408	4.7
116.06199	2.0
117.07015	33.6
119.04864	1.4
119.08572	42.6
119.09431	2.3
120.08855	1.4
121.06525	6.5
121.10126	21.9
123.08083	4.6
123.11684	3.1
125.09590	2.1
128.06212	4.2
129.06993	20.5
130.07784	2.2
131.08559	53.2
132.08855	1.6
133.06470	3.9
133.10129	26.8
135.08064	4.5
135.11691	8.4
137.09575	3.9
138.75693	0.9
139.11186	1.8
141.06943	8.1
142.07736	2.6
143.08551	22.8
145.06503	3.3
145.10114	31.1
147.08047	5.3
147.11662	7.4
149.09570	5.9
149.13235	12.1
151.07507	1.0
151.11182	2.8
154.07776	1.4
155.08539	14.0
156.09172	1.1
157.10110	14.3
159.08086	2.6
159.11696	17.6
161.09604	3.6
161.13283	2.0
165.07117	1.1
167.08548	3.5
168.09303	1.1
169.10101	9.4
171.07999	1.6
171.11673	12.2
173.09575	2.6
173.13179	5.1
175.11133	2.0
175.14809	1.2
177.12741	3.4
181.10081	6.8
183.11676	7.1
185.09688	2.2
185.13194	8.6
187.11252	2.1
187.14807	3.4
189.12804	1.4
195.11700	5.6
195.13812	4.0
197.13216	7.6
199.11198	2.0
199.14809	4.0
201.12666	1.8
201.16406	1.8
205.15933	1.6
209.13199	5.4
211.14827	4.2
213.16418	2.1
215.14267	2.3
217.15903	2.2
219.17424	1.5
223.09532	1.3
223.14812	2.5
225.16402	2.4
227.14293	2.6
229.15849	1.6
233.15358	2.5
237.16551	1.5
241.15761	1.1
245.15462	2.3
247.16942	3.9
249.18590	1.4
255.17439	3.3
259.16965	3.4
261.18521	2.2
271.17157	1.3
273.18622	1.9
287.20035	1.3
307.24283	1.2
325.21863	1.1
325.25156	6.3
331.52615	1.2
335.23633	8.7
343.26263	11.1
353.24750	30.5
354.24994	1.4
361.27191	1.2
365.27020	1.1
371.25815	40.0
372.26251	2.7
389.26797	38.5
390.27213	2.7
417.29877	1.9
427.28531	5.5
445.29422	100.0
446.29669	4.8
463.30441	62.7
464.30847	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	463.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.4
56.96563	1.0
57.03430	0.9
57.07072	1.6
67.05502	6.0
69.07067	14.3
71.04957	0.7
71.08642	1.0
79.05495	4.6
80.94824	0.9
81.07051	6.7
83.05013	1.4
83.08623	5.4
91.05474	6.2
93.07044	3.8
95.01373	0.8
95.04982	2.0
95.08618	4.7
96.50519	0.8
97.10180	1.9
98.23515	2.0
99.00813	7.4
99.04497	1.6
102.90489	0.7
105.07039	7.0
107.04978	0.8
107.08614	3.3
109.10179	1.6
113.02380	1.3
117.01876	1.1
117.07039	3.1
119.08580	3.9
121.06513	1.2
121.10141	1.9
125.05972	1.5
127.33897	0.6
129.07048	1.3
131.08568	5.2
133.06509	0.8
133.10141	1.9
135.08112	1.2
137.05963	2.0
143.08594	2.5
145.10146	2.6
147.11751	0.9
149.05983	1.1
149.09590	1.6
151.07545	1.2
153.05493	2.0
157.10242	0.9
159.11766	1.6
163.07571	2.5
169.10197	1.6
171.11752	1.1
177.05418	1.0
177.09084	1.6
181.04941	13.5
183.06624	1.6
183.11713	0.7
189.09114	1.6
191.07103	1.2
191.10759	0.8
195.06528	27.3
196.06927	1.2
203.10735	1.0
205.08601	1.1
209.08080	15.3
223.09618	16.2
235.09763	0.8
237.11215	13.2
249.11354	2.5
251.12827	8.2
265.14319	4.3
275.59399	0.7
279.16000	2.0
293.17496	1.4
305.14471	1.3
307.18918	1.6
319.19321	1.0
321.20673	1.5
323.15244	1.4
335.15347	4.1
343.26337	1.1
353.16251	5.0
353.24597	4.1
363.25940	0.9
371.25726	4.9
377.27029	1.0
389.26855	4.7
403.21658	2.4
421.22473	6.1
439.23730	1.7
445.28754	3.2
445.33286	6.4
446.29565	0.8
463.23715	2.8
463.34293	100.0
464.34537	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	463.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.05509	9.1
57.07090	2.2
67.05496	11.8
69.07069	18.1
73.06566	1.9
79.05513	4.2
81.07059	34.4
82.07439	1.1
83.08613	7.8
91.05486	4.6
93.07043	9.8
95.04942	1.5
95.08604	28.2
97.10185	5.1
98.22621	2.3
98.26588	1.2
105.07065	2.1
107.08589	3.9
109.06538	2.0
109.10146	16.0
111.08084	1.8
111.11727	4.1
119.08609	2.4
121.06462	2.0
121.10163	2.9
123.04446	1.5
123.11693	10.4
133.10172	1.9
135.08112	1.4
135.11697	3.1
137.05986	5.4
137.13246	8.9
139.03882	1.2
139.07538	4.0
141.05484	4.6
149.06003	4.0
149.13300	3.1
151.07539	11.2
151.14806	2.6
153.05475	1.5
159.08090	1.7
159.11688	1.3
161.99646	1.2
165.05417	7.0
165.09138	3.8
167.07037	100.0
168.07390	3.0
174.44592	1.2
175.07581	2.6
177.09160	2.2
177.16409	1.1
179.07028	1.6
179.10774	1.3
181.08589	3.2
189.09082	2.3
191.07063	1.8
193.08617	3.5
195.11813	1.1
203.10684	1.3
205.08661	3.4
207.10191	9.5
215.10620	2.1
219.10269	1.6
221.11780	3.6
229.12581	1.3
233.11671	3.3
247.13258	1.8
317.21115	1.3
324.49133	1.2
355.32480	1.4
357.24100	1.3
371.25739	1.4
373.27335	2.3
409.30743	1.5
427.32010	10.6
445.33179	6.6
463.31973	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	463.342
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
55.05511	12.0
57.03438	2.5
57.07080	6.9
65.03941	2.2
67.05505	16.2
69.07065	16.6
71.05000	3.5
71.08630	3.5
79.05470	11.3
81.07058	38.9
81.07507	2.9
83.04993	2.8
83.08636	8.0
85.06570	2.9
91.05468	10.1
93.07046	11.9
95.08606	36.8
97.06505	1.7
97.10156	5.6
98.22620	2.7
99.04458	1.6
105.07036	7.4
107.08580	8.4
109.06537	3.9
109.10151	18.7
111.08049	1.7
111.11732	3.5
114.01486	1.5
117.07011	5.2
119.08603	6.9
121.06499	3.3
121.10149	5.1
123.08088	3.8
123.11692	14.4
127.11282	1.5
129.07050	2.3
131.08592	6.9
133.10141	5.1
135.08095	4.7
135.11720	3.5
137.06009	13.1
137.13258	7.4
139.07556	3.5
143.08542	2.7
145.10132	3.5
147.08098	3.2
147.11694	3.3
149.06013	5.3
149.09718	1.8
149.13284	3.4
151.07542	31.8
151.14738	1.7
152.07872	1.9
157.10117	2.3
159.11699	3.6
161.05984	4.3
161.09706	2.7
161.13228	2.2
163.11307	1.7
163.14815	2.2
165.05495	11.2
165.09096	10.7
167.07037	100.0
168.07358	3.8
173.09624	1.9
175.07614	6.7
175.11227	2.0
177.09097	3.6
177.16481	1.8
179.10666	3.4
181.08662	3.1
189.09097	15.7
189.16418	1.9
191.07027	3.3
191.10645	3.2
193.08611	4.4
199.11429	1.9
203.10663	9.6
205.08641	2.4
205.12285	2.3
207.10043	8.2
217.12222	5.0
221.11769	3.6
231.13869	2.4
235.13301	2.1
275.99933	1.7
277.18115	1.8
285.66730	2.2
335.23642	2.1
353.24591	3.5
371.25867	4.4
389.26746	3.4
409.31058	3.3
417.33710	3.6
427.32056	24.6
445.33722	38.2
446.33194	2.5
463.30402	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	463.3782
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.01872	2.8
55.05516	12.6
57.07066	8.1
67.05505	16.4
69.07071	15.5
71.08633	4.9
71.24551	3.8
72.18930	2.1
81.07033	4.1
83.08630	11.4
85.06487	2.3
91.05473	5.7
93.07046	41.2
95.08599	22.9
97.06591	3.0
97.10191	7.5
107.08609	5.0
111.08074	17.0
111.11712	3.2
125.02460	2.4
127.07570	4.8
129.40674	2.8
133.10071	2.4
139.07545	16.2
147.56099	2.5
153.09111	11.7
165.12668	2.6
167.10710	6.2
181.12274	4.0
195.13853	5.9
197.04451	6.2
403.35724	29.4
421.37067	7.0
463.37860	100.0
464.38049	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	464.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32197	0.5
53.03933	1.0
55.01868	0.9
57.03432	0.6
67.05511	0.6
69.03426	3.5
69.17727	1.6
69.18132	1.2
73.02903	0.6
78.03456	4.8
78.60950	0.5
79.05486	0.8
80.05001	1.6
81.03414	5.5
81.07060	0.7
85.02902	4.7
91.05477	1.5
93.07063	1.0
95.08604	0.7
96.04485	1.9
97.02889	2.4
99.04414	1.0
105.03355	0.6
105.07020	1.3
106.02914	21.3
109.02876	6.0
109.06506	0.7
110.07854	0.6
120.46561	0.5
121.06490	0.8
123.08101	2.0
124.03947	100.0
125.04282	1.5
127.03919	2.8
131.68311	0.5
133.06508	1.7
137.05972	73.3
138.06290	1.6
139.03885	0.6
141.05469	1.4
151.03870	0.7
151.07538	29.5
152.03976	0.5
152.07939	0.6
153.01796	0.7
155.60750	0.6
161.06042	0.8
166.04993	1.7
172.43086	0.5
176.76903	0.5
179.07024	80.7
180.07361	1.9
181.08586	1.0
197.08076	26.1
198.08385	1.1
221.08138	1.5
223.09592	0.5
226.07028	3.5
232.06010	0.7
250.07118	12.5
268.08151	99.1
269.08456	3.8
302.07281	1.3
303.04843	1.2
428.13464	0.8
446.14471	0.6
464.15588	16.6
465.15826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68322	1.4
55.01878	1.4
57.03438	32.6
61.02928	12.1
62.57236	1.4
69.03432	38.8
69.13091	6.6
71.01343	4.5
71.04994	18.2
73.02920	81.5
81.03418	5.6
83.04959	1.5
85.02908	64.3
87.04480	2.7
91.03992	1.8
97.02257	3.0
97.02893	63.0
99.04459	1.7
109.02905	3.5
111.04449	2.4
114.89317	1.3
115.03935	62.7
116.19971	1.7
121.02864	61.7
127.03919	17.5
129.05484	10.0
133.04982	22.8
137.02364	13.8
139.03915	1.9
145.04942	20.0
147.06485	6.4
153.05469	100.0
154.05745	1.4
163.06026	9.6
164.09259	2.1
179.88942	1.2
193.04973	2.6
195.03006	1.2
199.05936	1.5
209.04501	3.8
223.06062	5.3
238.22528	1.3
241.07080	5.8
242.36411	1.4
259.08105	5.2
295.10269	4.1
373.96933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01875	11.9
56.03848	1.5
57.03437	20.8
59.04990	2.7
61.02922	15.1
64.99119	1.3
65.03920	1.8
69.03429	29.4
69.72942	3.7
71.01350	4.6
71.04998	3.8
73.02920	48.3
81.03408	4.4
81.07057	1.9
84.04478	1.4
85.02905	68.6
86.03207	1.1
87.04462	5.4
91.03962	4.3
91.05805	1.7
95.04964	1.6
97.02894	47.4
98.23538	1.1
99.04466	3.4
103.03925	3.4
105.03375	2.1
107.18855	1.1
109.02876	4.1
109.06508	5.6
111.04400	1.2
115.03928	25.4
121.02871	53.5
123.04400	1.2
127.03903	23.7
131.04948	1.9
133.04967	34.1
135.57751	1.2
137.02370	2.3
139.03925	4.1
145.04962	37.0
149.05978	1.9
151.03882	2.4
153.05466	100.0
163.03926	1.5
163.06018	8.2
163.07294	1.6
170.08128	1.5
188.09213	1.6
193.04884	3.0
199.06035	2.3
223.06039	5.3
241.07036	6.3
257.74948	1.2
259.08130	4.5
267.15924	2.8
277.09244	1.2
288.49417	1.1
289.07227	2.1
311.87354	1.2
336.47150	1.4
354.82367	1.3
361.03159	1.6
489.78183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49371	1.3
55.01876	4.6
57.03446	3.7
59.20638	1.2
61.02919	5.5
69.03424	8.6
70.06576	2.1
71.04984	2.6
71.06759	2.5
72.08148	2.5
72.66795	1.3
72.93085	1.3
73.04758	2.3
78.10431	1.3
79.02638	1.3
81.03423	4.8
85.02904	31.2
87.04465	3.6
91.03979	2.0
91.05464	2.1
92.05836	1.3
93.07117	1.1
97.02893	9.4
98.90965	1.4
99.04465	1.8
103.05460	2.6
105.07018	4.7
107.04957	14.2
107.08564	1.3
108.69198	1.2
109.02868	3.3
112.07576	1.5
115.05456	4.4
117.07001	4.7
119.04919	8.4
119.08609	1.7
123.04463	1.5
126.42552	1.6
127.03899	6.0
128.02530	1.4
129.05463	1.4
129.07040	4.2
130.06540	4.3
131.04927	61.1
132.05420	1.3
133.05545	2.0
133.06499	31.0
135.04428	14.0
137.06013	1.5
139.03970	1.7
140.07001	2.1
141.10225	1.5
145.04993	5.0
145.06480	44.5
146.05989	2.7
151.03922	2.2
153.05463	2.7
157.06467	11.4
157.07637	9.9
157.09749	1.4
159.04437	17.8
161.05981	100.0
163.06055	1.6
173.05911	1.7
174.05457	2.6
175.06001	2.6
175.07552	5.8
181.08589	3.2
185.05954	8.0
191.07150	2.3
195.02991	1.5
199.08592	2.1
203.07031	89.0
205.04733	3.5
206.04980	1.9
212.07048	3.7
213.07359	5.9
214.08688	1.9
215.08943	1.4
221.08089	42.6
222.08539	1.5
230.08018	2.3
234.09782	3.7
239.09166	4.5
242.08211	3.2
243.08484	3.3
251.09167	1.9
256.14508	4.4
260.09204	4.1
261.09558	6.5
263.10703	1.5
267.08563	2.9
278.10291	7.6
279.10574	12.5
284.14014	11.6
285.09793	2.3
287.05087	2.5
301.07062	3.5
301.12576	3.8
302.07434	8.6
302.12640	4.9
302.15128	6.2
303.04852	2.7
305.08527	2.1
323.09531	2.9
326.15109	2.2
332.17044	4.1
361.02734	1.6
428.17847	3.1
431.08786	1.9
464.18045	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03434	1.4
58.31848	0.7
60.55048	0.6
61.85821	0.6
68.52809	0.6
69.03426	4.0
69.54510	1.2
69.54906	1.3
70.95744	0.7
71.04973	0.9
71.16513	0.6
72.22066	0.6
74.75321	0.6
78.40771	0.6
79.05476	0.8
81.03423	1.1
81.07043	1.0
81.58089	0.6
82.96989	0.6
85.02906	9.3
87.04433	1.4
88.03258	0.7
91.05496	1.5
93.07045	1.4
95.08595	0.9
97.02891	4.1
105.07030	0.7
107.08612	1.5
109.02902	0.6
115.03908	2.9
115.05452	4.0
117.07004	2.9
119.08601	0.9
121.06538	0.9
123.04401	0.6
123.64493	0.7
126.46189	0.6
127.03915	2.0
128.35182	0.6
133.04962	2.1
133.06516	1.4
133.10022	0.7
135.11670	2.4
137.05962	1.0
137.09669	0.6
139.03894	4.3
143.04964	2.0
145.04973	1.7
145.06499	1.2
147.08032	15.2
147.95322	0.6
149.09680	0.9
151.07552	1.5
153.05515	1.1
153.12740	2.7
160.05190	2.2
161.05995	3.4
163.07521	2.0
165.09071	1.1
167.07014	0.8
169.09738	2.5
170.10048	1.6
174.06815	0.8
175.07539	16.6
176.08316	23.5
177.05492	1.5
177.08972	1.9
179.06992	1.0
179.10658	4.2
182.05820	1.2
191.07077	1.2
192.07785	5.8
193.08537	1.9
203.06996	1.4
207.10155	85.6
208.10504	2.3
221.08073	1.5
225.11168	2.6
235.09634	100.0
236.09990	3.8
239.09096	0.8
249.11194	1.0
253.10698	8.2
267.12262	30.4
268.12729	0.9
271.37888	0.7
279.35397	0.7
285.13315	1.7
297.16898	0.8
390.65002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.0
57.03425	5.8
64.28255	1.7
68.62444	1.8
69.03418	5.0
73.02921	4.1
75.04468	4.6
79.05474	4.7
81.03415	3.5
85.02908	15.8
87.00831	2.3
91.05465	14.2
97.02879	6.1
103.05464	2.8
103.19231	2.2
105.03395	4.0
105.07037	20.4
106.04145	2.0
107.04977	9.1
109.02845	2.8
109.06524	5.5
115.05420	2.5
118.96298	2.0
119.04942	23.8
119.08541	2.2
121.06500	11.2
127.03914	7.7
132.40465	2.9
133.06497	20.3
134.03656	3.3
135.04395	4.1
136.05179	2.2
137.05959	7.6
139.03906	2.0
140.04678	6.1
145.05002	4.5
147.04422	6.8
149.05957	19.5
151.07538	15.9
151.08678	6.6
152.08998	6.6
153.05463	53.8
153.09048	3.1
161.05984	44.2
163.03886	8.2
165.05473	3.1
167.07047	14.1
168.07825	72.5
169.09692	11.9
170.10077	4.7
177.05463	3.1
178.06250	11.0
179.07004	14.6
181.08607	8.8
193.08604	82.7
196.07306	65.6
207.06541	5.9
209.08093	13.2
211.09639	100.0
212.10095	2.1
221.11678	3.8
223.09697	2.3
225.07576	8.6
267.12317	11.7
267.14935	2.2
285.13321	80.4
286.13953	2.5
387.41458	2.4
464.21851	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	464.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01867	2.3
57.03437	5.4
59.05000	0.4
61.02924	8.0
65.50921	0.3
66.26532	0.3
69.03429	16.7
70.68787	0.5
71.01358	0.4
71.05003	1.7
73.02915	5.3
81.03414	5.9
85.02905	100.0
86.03210	0.8
87.04475	2.1
91.03947	6.0
97.02894	25.9
99.04446	3.3
101.02369	1.0
103.03950	1.8
105.07026	3.1
109.02888	7.3
115.03910	2.4
121.02838	2.9
127.03916	24.3
128.04248	0.5
133.04974	1.8
145.04961	55.0
146.05345	0.9
147.08061	0.8
153.05461	4.5
163.06021	29.2
164.06406	0.4
172.47031	0.5
180.08691	0.7
211.90205	0.4
231.10175	1.4
241.07269	0.4
256.80850	0.4
285.13309	2.7
289.09073	1.2
325.11255	2.3
340.21664	0.4
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
53.03941	0.9
55.01867	0.8
55.05513	3.0
57.03441	0.5
57.07074	3.0
61.02911	0.4
61.79710	0.4
67.05510	2.0
69.03431	2.5
69.07058	1.4
69.34979	2.0
71.04987	0.9
79.05482	1.4
81.03413	2.3
81.07050	2.7
83.04990	2.4
83.08607	0.6
85.02903	5.2
85.06541	1.7
87.00822	2.4
89.82112	0.4
91.03928	0.4
91.05473	1.0
93.07031	3.7
95.04967	0.5
95.08608	4.4
97.02898	3.8
97.06528	1.8
99.04450	0.7
99.08107	0.4
105.01890	2.6
105.07023	1.7
107.08588	6.4
109.02877	3.9
109.06527	1.1
109.10162	1.5
111.04443	28.6
111.08083	1.2
113.06066	0.7
117.01856	0.5
119.08571	1.0
120.95421	0.4
121.06502	1.4
121.10133	1.8
123.08121	0.6
125.05988	9.2
125.09632	0.4
127.03929	4.5
127.07571	1.1
133.10155	0.6
135.08075	4.7
135.10803	0.3
135.11688	7.2
137.13261	0.8
137.19562	0.5
139.07596	1.9
145.04974	1.3
145.10127	5.7
153.12735	1.7
159.02879	1.1
163.11185	9.2
181.12230	100.0
182.12613	3.4
199.13300	8.6
213.03996	0.6
231.05032	2.1
231.17453	0.6
241.17896	0.9
249.18456	1.2
258.18533	0.5
262.53683	0.4
267.19684	0.5
302.21283	0.5
309.45502	0.4
464.26230	0.4
481.17221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01869	2.4
55.05515	0.6
57.03440	6.8
61.02925	9.4
69.03068	1.0
69.03431	16.8
70.06580	0.8
70.83176	1.0
71.01363	0.8
71.04991	4.5
73.02921	5.0
76.02235	0.9
77.39881	0.5
79.05498	1.3
81.03425	7.4
81.07066	1.6
83.04985	0.8
84.04504	4.7
85.02907	100.0
86.03226	0.8
87.04479	2.0
91.03958	6.0
93.07033	1.0
95.04945	1.3
96.08128	1.2
97.02896	26.3
99.04485	4.1
101.02367	0.6
103.03922	1.1
105.03417	3.8
105.07029	6.2
107.08601	0.9
109.02881	9.1
112.03973	0.6
115.03961	3.0
116.01701	1.3
116.07077	0.7
119.08556	0.6
121.02859	3.1
121.06516	1.3
124.07623	0.9
127.03916	28.7
129.05493	1.3
129.07141	0.6
131.08495	0.6
133.04971	2.4
135.04422	0.9
137.02304	2.6
142.08652	0.6
145.04961	54.6
146.05165	0.7
147.08038	0.7
149.09590	0.6
153.05472	5.6
162.02219	1.9
163.06026	27.4
170.08128	2.1
175.11093	0.8
181.08597	1.2
189.09198	0.6
193.12250	1.2
207.68283	0.6
219.10199	1.1
231.10162	2.2
243.08797	2.1
244.09598	1.7
249.11261	1.6
259.11111	6.6
267.08621	2.8
267.12177	1.3
267.15768	1.0
285.13297	4.4
285.16147	0.8
303.12186	2.2
319.04739	1.0
325.11313	1.5
378.15436	2.1
389.13736	0.8
411.41153	0.7
464.11664	2.4
464.20706	2.0
465.17444	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	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01865	5.4
55.05509	1.8
57.03436	9.6
57.56688	0.7
59.04990	1.7
61.02920	4.7
65.03920	0.9
65.58129	0.8
69.03426	10.3
69.07047	1.3
70.73476	0.8
71.01355	1.5
71.04996	3.8
73.02916	11.7
74.80427	0.8
77.03915	1.6
77.04346	0.8
79.05491	4.4
81.03421	1.3
81.07059	5.4
85.02406	1.6
85.02903	27.3
85.03412	1.3
87.04466	2.1
91.03959	0.8
91.05473	14.5
91.29629	0.7
93.07040	100.0
94.07336	0.8
95.04966	4.7
95.08590	3.3
97.02888	15.2
99.04435	1.2
103.03961	2.1
105.04526	2.1
105.07011	4.1
107.08591	41.0
109.02850	1.9
109.10136	3.2
115.03921	10.9
119.06059	1.5
119.08532	1.4
121.10143	1.1
127.03915	7.0
131.08514	0.7
132.06532	2.1
133.04955	15.3
135.11687	87.5
136.12016	1.2
137.13217	2.6
145.04948	8.9
145.10158	0.8
147.11659	2.2
150.07596	3.4
153.12737	32.9
159.11691	1.1
163.06033	4.2
180.08560	1.2
241.07027	2.4
259.08087	2.0
261.14743	1.1
279.15695	1.2
295.10251	1.5
297.16937	2.8
315.17972	2.5
347.56018	0.8
355.74338	0.7
462.41324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
53.24454	1.3
55.05515	1.5
57.03424	8.3
58.65263	1.1
61.02912	4.5
64.46874	1.2
67.05498	2.0
69.03427	16.0
73.02913	15.7
75.85181	1.2
79.05491	6.3
81.07067	1.9
85.02903	22.7
86.86989	1.4
87.04449	6.9
91.05470	15.8
93.07040	84.3
95.04951	4.8
95.08602	2.3
96.07690	1.1
97.02885	20.1
103.70325	1.2
105.04472	2.2
105.06995	9.0
106.07363	1.4
107.08587	78.3
109.02881	1.9
109.06507	3.5
109.10116	1.4
115.03917	21.4
119.06084	2.4
119.08569	1.4
121.10109	6.4
127.03898	6.4
131.08574	1.6
133.04974	17.0
133.10107	20.6
134.10446	8.0
135.11687	100.0
145.04965	7.6
147.11595	1.4
150.07613	2.9
152.14378	2.7
153.12712	5.7
154.83640	1.4
163.06041	3.0
181.12218	3.2
183.15712	1.2
193.08577	1.9
207.10135	3.0
212.35014	1.4
223.05969	2.0
224.10490	1.5
229.16209	1.5
241.07175	2.2
249.14798	1.6
259.08136	2.6
267.12317	9.5
267.16000	2.2
281.08862	1.3
295.10291	5.7
297.16806	1.6
299.63449	1.4
319.42615	1.5
463.32431	14.2
464.32895	51.6
465.14951	1.7
465.21439	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	464.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26182	1.0
55.05516	3.8
57.03440	7.7
57.08977	1.0
59.05003	1.8
61.02929	2.1
62.09887	1.1
62.17286	1.0
69.03432	20.4
69.07063	2.2
71.04991	3.1
73.02918	13.2
79.05502	4.6
81.03423	1.5
81.07068	4.3
85.02905	18.8
87.04470	9.5
91.05473	12.3
93.07047	100.0
95.04979	5.8
95.08627	3.4
97.02892	18.8
100.11276	3.2
105.04489	2.3
105.07049	4.2
107.08603	29.7
109.02880	1.4
109.10190	1.9
111.04436	1.2
115.03941	26.0
115.04711	1.8
119.08588	1.5
121.02863	5.4
121.10154	5.3
127.03944	4.6
131.08534	1.3
133.04956	22.1
133.10130	1.3
135.11697	63.7
137.13280	1.5
139.03899	7.4
145.04974	5.0
147.04382	1.4
147.11717	1.5
150.07655	4.5
151.03943	1.7
153.12761	19.6
159.11743	1.4
163.06009	1.3
165.05606	1.1
181.05096	1.2
181.12231	1.8
182.15474	1.9
193.08754	1.2
207.10188	2.3
210.14925	2.2
223.05902	1.4
224.10475	1.8
241.07144	1.6
259.08133	1.3
261.14734	1.6
267.12302	7.9
267.15417	1.9
295.10446	1.4
297.16833	2.5
315.18103	1.4
400.80295	1.6
455.32697	1.9
464.33420	7.1
464.83255	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11120	2.2
53.03949	3.4
54.83705	2.5
55.05513	6.2
57.03425	3.9
61.02922	4.3
61.92016	2.2
66.46077	2.4
67.05512	12.5
69.03440	7.5
69.07075	4.9
69.20300	5.0
69.20699	11.3
69.53466	2.3
79.05508	14.6
81.03418	100.0
81.07063	15.0
83.04975	3.0
83.08625	23.4
85.02909	8.9
91.03945	2.9
91.05466	14.9
93.07041	7.9
95.04964	30.2
95.08599	4.6
97.02894	4.6
98.22717	5.9
105.07030	8.8
107.04948	8.7
107.08589	6.3
111.04508	2.8
111.08088	11.0
112.04603	2.8
119.08599	12.7
121.06470	3.6
121.10149	4.3
123.04401	2.5
129.07016	8.9
131.08578	10.1
133.10135	5.9
142.06572	2.7
147.08145	3.8
147.11679	7.1
149.09622	5.6
157.10120	11.7
165.12724	3.5
172.11195	76.4
175.11237	12.6
181.10117	25.7
189.34761	3.5
193.12251	86.4
194.12592	3.0
211.13402	5.9
216.13832	11.5
237.07706	2.8
267.15930	45.5
284.20074	14.7
285.16962	56.9
285.20013	5.2
302.21017	3.8
309.16943	12.0
464.26282	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	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01879	2.0
55.05503	6.2
57.03428	6.1
58.83997	1.9
61.02900	2.1
62.86940	2.0
65.99442	2.6
67.05502	11.9
69.03426	4.7
69.07062	6.0
69.68556	2.1
70.99387	3.0
71.05016	2.8
79.05475	10.7
81.03413	100.0
81.07045	12.2
83.04982	6.1
83.08613	22.1
85.02905	9.5
91.03946	2.9
91.05467	13.7
93.07040	7.4
95.04958	24.8
95.08614	6.3
97.02882	7.4
97.94893	2.0
105.07021	12.5
107.04953	5.0
107.08546	5.3
109.06532	3.5
109.10198	2.9
111.08092	8.9
119.08564	9.2
121.10176	6.3
123.04448	2.6
127.03933	3.6
129.07004	10.2
131.08578	8.4
133.06525	4.1
133.10133	5.3
147.08063	3.0
147.11678	9.0
149.02341	8.6
149.09601	3.1
157.09000	2.2
157.10109	10.3
161.05986	2.5
166.07814	7.1
171.10321	2.1
172.11203	68.5
173.11531	4.1
174.12906	3.0
175.11305	11.7
181.10095	33.4
193.04938	9.3
193.12231	81.7
211.13344	7.0
216.13889	9.8
235.13306	4.2
237.07507	11.1
267.15906	67.5
284.20096	9.8
285.16959	65.2
288.15958	5.9
291.18033	2.2
309.16949	10.4
326.78119	2.4
429.11826	6.8
429.20773	4.3
436.61298	2.3
464.27036	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	464.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01862	4.9
55.05506	8.5
56.16052	1.9
57.03436	10.5
59.04980	2.4
61.02922	6.4
67.05509	13.6
68.07036	2.1
69.03432	11.9
69.07072	6.1
69.46978	8.0
71.04989	12.1
73.02934	4.2
79.05500	12.6
81.03421	100.0
81.07063	16.5
82.07335	2.2
83.04973	7.6
83.08617	23.0
85.02904	27.2
85.06536	2.4
90.61346	1.7
91.05440	12.8
93.07064	10.8
95.04980	32.9
95.06088	6.2
95.08606	6.7
97.02900	9.6
97.06538	3.9
97.10165	3.2
98.23436	3.8
99.04459	3.7
105.07044	16.1
107.04960	8.1
107.08578	8.1
109.02917	4.7
109.06519	4.1
109.10185	3.3
111.04454	3.0
111.08101	11.8
115.05535	2.2
117.07034	3.1
118.06635	2.6
119.05004	2.0
119.08573	12.7
120.04460	2.8
121.06511	3.1
121.10136	10.7
123.04446	4.5
123.08092	3.4
125.09585	3.0
127.03906	4.7
129.07008	10.3
131.08562	8.3
133.06487	6.8
133.10114	10.8
134.06044	9.3
135.07959	2.5
135.11740	3.0
137.02356	43.7
137.03374	3.9
137.09639	3.6
139.03917	2.7
145.04883	2.9
145.10129	3.1
147.04489	2.9
147.08066	4.6
147.11713	7.6
149.09622	6.2
153.01802	7.1
153.12747	2.7
157.10152	10.5
159.11610	2.1
161.06009	3.4
161.13318	2.4
163.11176	5.4
164.14256	3.5
167.07094	2.8
171.57098	2.4
175.11194	11.6
176.34113	2.6
177.93532	2.1
181.04959	2.8
181.08456	2.7
181.12289	3.8
189.05542	3.0
193.12247	87.9
196.11212	4.0
203.14368	2.6
207.13821	2.3
209.04630	2.4
211.13335	7.8
211.17494	1.9
225.15866	2.7
231.13966	2.7
235.13345	4.8
240.17459	6.0
247.05966	2.1
249.14796	7.0
249.18452	2.6
253.66414	1.8
258.18512	17.7
259.13306	3.2
260.12762	3.4
267.15903	70.5
267.18753	3.7
268.16214	3.1
273.04309	2.5
273.14752	2.4
275.05637	2.2
284.19986	4.4
285.16949	64.4
302.21188	20.4
303.04977	5.4
309.16974	18.1
319.04510	25.3
333.06128	3.2
344.27051	4.5
363.18008	3.7
375.17865	6.1
376.29477	9.1
388.02875	2.0
393.19070	4.1
395.34702	2.3
411.20001	2.8
420.32117	6.5
429.21594	4.4
464.19278	14.0
464.26367	28.3
465.14615	9.7
465.26926	2.3
481.61609	2.6
482.62805	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	464.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95288	1.3
53.03917	1.6
55.01879	1.9
57.03437	26.0
59.04984	2.8
60.04507	2.0
61.02924	8.8
67.05492	3.0
69.03424	61.8
69.03802	3.3
69.07050	1.8
69.17317	8.7
71.01347	2.5
71.04989	2.5
73.02915	37.5
79.05495	16.4
81.03393	5.4
81.07066	2.9
81.55568	1.4
85.02900	100.0
86.03218	1.5
87.03971	2.2
87.04468	35.8
91.00310	1.3
91.03934	4.2
91.05467	8.8
93.07038	48.5
95.04956	4.0
95.08632	1.7
97.02887	74.4
99.04453	6.3
103.03951	1.9
105.07028	8.5
107.08597	25.0
109.02871	6.3
115.03926	79.2
119.08567	2.1
127.03915	23.2
131.08606	1.9
133.04958	67.1
133.10133	14.5
135.11685	86.4
139.03918	1.4
143.08534	3.4
145.04944	28.0
147.11676	3.0
150.07617	13.6
153.12749	2.9
159.08017	2.4
163.05963	8.7
175.11165	1.5
177.12772	2.6
197.13196	2.7
198.13602	3.5
219.13776	1.5
223.05986	3.2
226.73315	1.4
231.13669	2.0
241.07140	7.5
249.14793	1.3
259.08090	6.0
267.15878	4.7
277.09210	2.3
294.21515	1.4
295.10181	5.1
297.17007	2.4
391.18591	1.6
411.04660	1.4
465.20953	2.8
468.78503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.3
57.07053	3.0
59.04996	3.7
67.05509	9.8
69.03432	7.5
69.07069	11.2
71.04997	23.4
79.05505	11.9
81.07063	39.3
83.04991	19.6
83.08630	5.0
85.02907	17.1
85.06509	4.0
91.05482	10.6
93.07055	27.1
95.05007	3.2
95.08597	30.7
101.06040	8.7
105.07028	16.8
107.08583	30.5
109.02884	4.3
109.06511	13.6
109.10154	30.4
111.08105	5.9
117.07014	4.9
119.08582	15.6
121.02862	4.6
121.10161	14.3
123.11730	11.0
125.09650	8.8
127.03938	8.6
127.07565	7.3
127.11194	20.0
129.09119	3.0
131.08508	7.4
133.10124	6.7
133.81253	3.0
135.11610	3.3
137.02332	3.1
137.09628	3.0
143.10692	12.6
145.10129	42.9
147.11702	7.9
149.13252	26.4
151.11205	5.4
157.10130	5.0
159.11694	45.6
161.13315	8.5
163.11230	4.0
167.03436	3.0
167.14320	100.0
173.13258	18.5
181.12317	4.0
191.14307	3.8
193.12363	3.6
213.16412	10.9
231.17421	38.2
249.18506	14.0
267.16013	5.7
267.19601	11.5
285.20682	7.5
302.21173	6.0
319.04510	6.8
464.26544	8.4
464.32739	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	464.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.8
53.03944	4.2
64.42707	1.0
67.05486	2.0
69.03396	1.1
69.14666	6.0
72.59536	1.2
75.68590	1.0
77.03938	2.8
81.07050	2.1
85.02922	1.2
87.04475	6.7
89.06032	64.9
91.04948	1.5
91.05479	19.0
93.07045	34.2
95.04972	15.6
95.08582	1.4
103.05469	10.6
105.04530	7.0
105.07063	1.7
107.07024	1.5
107.08569	1.3
111.04398	1.1
119.04939	3.4
119.08583	5.0
121.06504	100.0
122.06837	1.6
130.08612	1.4
133.07582	2.2
133.08603	43.1
135.08037	1.2
147.08035	6.7
149.09607	2.4
165.09108	44.1
167.10648	1.0
177.11214	16.1
191.10669	2.3
193.12117	2.4
197.94177	0.9
209.11743	20.8
221.13838	2.9
253.14395	3.6
341.19437	1.2
390.45245	1.1
447.25931	18.6
464.27734	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	464.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.3
55.10140	1.4
57.07074	19.9
67.05496	6.5
69.07055	5.5
69.24400	8.1
73.02905	6.2
75.92643	1.4
79.05494	3.6
81.07044	7.8
83.08601	3.0
93.07031	2.6
95.08588	10.4
97.10192	2.7
101.05976	1.6
106.57314	1.6
107.08603	1.6
109.10157	6.7
121.10122	3.2
123.11705	5.4
125.05962	3.4
137.05969	66.9
137.13210	2.6
141.87564	1.3
150.47137	1.7
151.07593	2.4
153.05453	22.3
161.05969	2.6
163.07565	11.1
165.16435	1.6
171.13802	100.0
175.07552	6.3
177.05457	23.7
177.09111	6.1
177.16487	1.6
179.07030	10.9
179.78383	1.6
181.08435	1.7
187.07492	3.1
189.09161	2.2
189.16351	2.0
191.07022	2.4
191.10672	3.1
193.08647	2.8
195.06554	4.2
201.09045	1.7
203.10701	2.3
205.08710	2.5
205.12131	2.9
215.10638	5.8
217.12222	4.3
219.10132	3.0
219.13725	1.8
221.08015	8.5
229.12166	4.4
231.13826	1.9
233.11557	1.7
243.13901	1.9
245.15369	2.5
247.13417	1.6
257.91663	1.5
259.13339	1.5
273.14865	2.4
275.12500	1.5
317.24881	2.0
327.23166	22.2
345.24243	77.0
346.24542	4.2
346.28531	1.8
369.24411	9.9
387.25269	34.7
411.25290	5.4
429.26334	11.1
464.30048	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	464.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01746	3.4
55.05512	5.6
56.73367	3.5
57.07072	5.0
69.07066	12.7
69.54041	9.5
83.08622	10.2
95.08593	4.6
97.10169	6.1
98.23418	7.9
103.37795	4.5
106.71629	3.5
107.40677	3.7
123.04430	94.4
123.05280	6.6
137.05965	7.3
149.05992	40.2
163.07550	100.0
177.09018	4.4
187.11206	5.2
191.07048	7.3
205.08617	39.5
214.31976	3.8
236.97108	3.7
289.52817	3.9
304.80038	3.5
327.27023	4.4
345.27905	99.9
387.28906	27.1
464.33746	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08440	34.9
69.71523	64.3
74.61964	33.0
93.22836	44.7
96.35170	34.9
98.23489	40.9
149.05695	33.9
171.13811	100.0
241.63889	40.9
243.29202	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Myricitrin
Peak:m/z	Relative Intensity
51.28994	0.5
51.61853	0.6
53.03921	0.6
55.05519	0.5
56.26834	0.5
57.03440	4.8
60.21491	0.5
65.72223	0.5
66.89303	0.7
67.60884	0.8
68.99797	1.4
69.03416	1.0
70.71918	0.9
71.04995	31.4
73.02927	0.8
75.89761	0.6
76.44959	0.6
85.02908	31.3
85.28935	0.6
89.82770	0.6
96.95622	0.5
97.32612	0.7
98.23317	0.8
111.00798	2.6
111.04434	0.8
111.89833	0.6
129.05469	7.2
137.02386	2.8
147.06535	1.6
153.01831	11.0
158.53763	0.6
165.01849	3.1
179.03401	1.2
183.02945	1.0
195.02901	0.9
203.03329	1.0
207.02896	0.7
217.04974	3.9
219.56570	0.7
245.04488	5.2
263.05481	0.7
273.03778	3.8
290.04169	0.9
301.03598	0.7
319.04486	100.0
320.04800	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Myricetin-3-Rhamnoside
Peak:m/z	Relative Intensity
52.28662	0.1
53.03942	0.5
55.01866	1.2
55.05498	0.1
57.03442	0.8
63.02351	0.1
64.70490	0.1
64.73929	0.1
65.03929	0.3
67.05500	0.2
68.99785	0.2
69.03426	0.5
69.07090	0.1
69.20382	0.7
71.01352	0.2
71.04960	0.2
73.02921	0.4
77.03915	0.1
79.05501	0.3
81.03412	4.5
81.07044	0.3
85.02902	4.6
85.06568	0.1
91.05503	0.4
93.03400	0.4
93.07039	0.8
95.04965	0.3
95.08617	0.3
97.02888	0.5
97.06548	0.2
98.97617	0.1
103.03928	0.9
103.05470	0.3
105.03413	0.2
105.07044	0.2
106.02803	0.1
107.01331	0.9
107.04948	0.3
107.08589	0.5
109.02873	1.6
109.10159	1.2
111.04430	0.5
115.03929	0.2
115.05470	0.2
119.04135	0.1
119.04968	0.3
119.08609	0.2
121.02805	0.3
121.06605	0.1
123.04428	0.3
125.06002	0.3
127.03916	2.2
131.04919	0.8
133.02843	1.1
133.05014	0.2
135.04396	0.2
135.11688	1.3
137.02348	100.0
137.03427	9.3
138.02602	1.6
145.02878	0.1
147.04404	0.4
148.05235	0.2
149.02347	0.2
149.05986	0.1
150.03125	1.1
151.03906	0.8
151.07549	0.2
152.01051	0.2
153.01837	1.3
153.05438	0.6
153.12724	1.6
155.03386	0.7
159.04385	1.1
161.02296	0.2
161.05989	0.2
162.03098	0.6
163.03900	0.5
164.04655	0.1
165.05453	0.5
166.02625	0.7
167.03392	0.4
171.04399	0.3
171.13823	0.3
173.02347	0.2
173.05995	0.1
175.03906	0.7
175.07588	0.1
176.03241	0.1
176.04642	0.7
177.01820	2.7
177.05391	0.9
178.02609	0.4
179.03391	1.4
179.07034	0.2
180.00572	0.2
181.04944	7.6
182.05363	0.2
186.03079	0.3
187.03885	1.4
188.04790	0.1
189.05421	0.3
190.02634	0.3
191.03381	1.9
191.07037	0.4
192.04152	0.2
193.04919	1.3
194.02081	0.9
195.02844	1.3
197.04454	2.7
199.03914	1.1
201.05499	0.2
203.03372	0.3
203.07109	0.3
204.04117	0.7
205.04942	2.4
206.02090	0.3
207.02907	0.4
207.06554	0.5
209.04437	6.9
210.04832	0.3
214.02733	0.1
215.03310	1.0
216.04132	0.6
217.04958	0.4
218.02069	0.3
219.02907	0.5
219.06491	1.4
221.04419	2.3
223.02478	0.2
223.06001	0.5
225.03983	0.1
229.05005	0.8
231.02910	0.3
231.06528	0.2
232.03621	0.9
233.04413	2.6
235.06033	0.5
237.04204	0.2
239.05463	2.1
243.02928	0.7
247.06007	3.6
247.08572	0.2
249.04019	0.3
251.05489	2.3
257.04410	1.2
260.03125	1.2
263.05508	2.4
265.07129	0.2
275.05481	7.3
276.05862	0.2
281.06543	0.2
293.06534	5.3
294.06989	0.2
303.05005	2.3
303.12326	0.1
311.07562	1.3
319.04535	0.3
429.08273	0.3
447.09305	0.2
465.10349	0.5
465.17273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23173	0.7
52.65365	0.7
53.03939	1.1
57.03439	11.5
61.02934	2.2
67.05506	1.1
69.03437	4.2
69.47198	3.1
71.01368	0.8
71.04994	65.7
73.02905	1.7
73.88003	0.8
75.04487	2.4
81.03420	2.8
81.07059	1.2
83.04555	0.9
83.04967	4.9
85.02905	100.0
87.04460	2.1
90.01374	0.7
95.04983	1.3
97.02893	11.4
99.04447	2.1
103.03951	1.9
108.08121	2.4
109.02883	4.5
110.06067	1.0
111.04441	3.1
122.06030	1.6
125.05976	1.1
126.05523	1.8
126.09108	1.1
127.03942	8.1
129.05479	27.2
135.04408	2.3
136.07558	4.5
138.66359	0.8
140.07063	30.4
145.04970	15.4
146.08147	2.2
147.06517	11.8
150.09180	1.7
152.07085	5.1
153.05516	1.2
154.08620	1.6
163.06041	10.8
164.07082	6.6
164.09204	7.8
178.08672	6.2
182.08133	43.1
183.08638	1.2
206.08121	21.6
207.08437	1.1
218.08179	2.4
236.09268	1.9
248.09171	5.9
266.10287	3.4
284.11282	6.9
302.12347	16.1
337.01602	0.8
406.25171	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	465.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.60637	1.4
57.03426	2.7
59.62469	1.5
63.88180	1.4
65.03947	1.9
67.05503	2.6
69.03416	2.9
70.16151	2.8
70.16464	2.3
71.04996	3.6
77.03949	1.8
79.05498	7.1
81.03413	2.3
81.07034	3.8
85.02892	4.3
91.05470	12.0
93.07043	10.7
95.04962	8.7
95.08640	1.7
97.02882	2.2
103.05463	4.0
105.07019	5.1
107.04946	14.6
107.08591	3.2
109.06528	1.9
111.04410	2.5
115.05433	2.7
117.07025	4.1
119.04955	3.6
119.08581	2.5
121.02914	1.6
121.06496	10.1
121.10136	4.6
123.04404	9.7
123.08031	2.2
124.05233	2.1
127.03918	2.8
128.06276	3.8
129.07004	15.5
131.04938	6.0
131.08575	7.0
133.06493	3.0
133.10179	2.2
135.04393	11.9
135.08031	3.1
137.02312	2.2
137.05984	10.8
138.05475	5.1
140.04665	9.6
140.61775	1.5
143.08382	1.7
145.06476	3.3
146.07288	2.7
147.04333	2.4
147.11693	1.7
148.05183	2.3
149.05945	2.4
149.09579	3.9
151.03844	3.3
151.07529	13.3
153.05476	11.3
155.07011	11.3
155.48175	1.8
156.07356	1.6
157.06471	11.2
159.07967	2.7
161.05957	35.2
161.09578	8.4
163.07524	13.5
165.05498	1.9
165.09102	7.2
166.04942	4.3
166.06282	4.7
167.07037	74.1
167.08331	2.9
168.07390	2.4
169.06453	1.9
174.06773	12.1
175.07594	10.6
177.09142	5.0
179.07098	3.5
179.08568	3.3
181.08589	63.8
182.08902	2.3
189.09085	60.5
191.07022	3.0
191.10603	2.7
194.07216	2.2
195.08020	5.1
197.09619	4.1
199.07561	2.0
201.09047	3.9
207.08253	3.1
207.10136	14.5
210.06717	2.6
211.07460	2.7
219.08173	2.3
219.10132	30.7
221.05991	2.8
222.06725	2.2
223.07512	3.3
223.11166	2.2
225.09041	8.3
227.07043	2.0
236.08311	2.3
237.09093	2.9
239.06897	2.2
239.10802	1.9
240.07851	1.8
241.08321	2.2
251.07018	2.2
251.10565	3.4
253.08516	8.9
255.10263	3.9
257.11450	7.4
267.10382	2.0
268.07220	1.7
269.08240	2.4
270.08765	3.6
279.10037	2.5
280.10684	1.9
283.09729	6.7
283.13300	6.5
285.11130	16.3
285.17004	7.5
296.10553	3.2
297.11008	2.3
299.09067	2.2
299.12518	2.6
302.11472	2.8
303.05112	2.2
303.13342	31.3
311.12756	6.8
315.12271	12.1
316.12866	2.8
317.13776	24.9
319.04422	8.1
329.13937	4.4
331.15326	5.2
343.15359	34.3
346.14130	4.8
359.14783	7.3
360.15622	22.0
361.16425	100.0
362.16763	5.3
373.16382	3.6
403.17429	2.1
408.86435	1.6
435.20242	17.0
449.11707	1.6
465.17361	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2328
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.02411	0.5
51.12450	0.5
51.89122	0.5
55.05508	2.0
57.03437	5.0
57.07066	0.6
59.05000	2.8
61.02911	1.2
67.05509	1.5
69.03063	1.0
69.03429	17.2
69.07068	2.5
69.19612	3.1
69.25340	0.6
71.04989	12.0
73.02916	2.5
73.06559	3.6
73.85998	0.6
79.05489	4.0
81.03413	1.6
81.07057	19.2
83.04974	1.0
85.02905	17.3
87.04466	10.1
91.05461	1.8
93.07044	15.0
95.04965	0.7
95.08601	3.2
97.02895	16.4
97.06540	2.0
99.04453	1.2
101.42812	0.5
104.33588	0.5
105.07057	1.0
107.04959	0.5
107.08591	9.9
109.10130	1.5
111.04408	0.7
111.08015	0.7
115.03928	19.8
119.08620	0.8
121.06490	0.5
123.04396	0.8
127.03937	2.1
133.04965	20.4
135.11688	20.7
136.12073	0.7
137.02313	2.0
137.05988	1.6
139.03896	1.3
145.04973	3.7
149.06027	0.5
153.12743	100.0
154.13086	2.6
163.06094	1.1
163.07367	0.7
169.04942	0.8
171.13785	1.0
177.09056	0.6
181.04950	1.4
215.14287	0.6
241.07031	1.2
259.08121	1.5
261.22321	0.6
268.12567	0.9
277.09232	1.5
295.10211	2.2
302.11365	1.2
303.04974	1.0
303.11844	1.0
319.04544	1.7
429.18115	0.6
463.78055	0.5
465.17297	8.3
465.23328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
50.39947	1.0
53.03949	2.7
54.84658	0.9
55.01859	4.3
55.05512	5.5
57.03436	10.0
57.07068	4.0
59.05001	5.8
61.02924	3.7
65.03972	1.1
67.05515	4.7
68.52227	0.9
69.03427	38.4
69.07065	15.0
69.77433	1.6
71.04990	19.8
73.02914	4.9
73.06554	2.9
79.05500	8.5
81.03417	9.3
81.07054	23.3
83.04987	2.3
83.08626	3.8
85.02904	46.6
87.04467	19.6
91.05480	8.0
93.07039	21.4
95.04965	3.2
95.08609	9.4
96.08907	1.0
97.02895	29.1
97.06532	5.5
99.04450	2.5
103.03922	2.0
105.07021	8.3
107.04953	1.9
107.08591	30.8
109.02893	4.0
109.06496	7.2
109.10149	14.9
111.04440	2.2
111.08084	1.2
113.02393	1.0
115.03925	33.3
116.32774	1.0
117.07018	2.7
119.08574	8.1
121.06536	3.0
121.10146	4.6
123.04426	2.0
123.08084	2.1
123.11666	1.6
124.03949	1.2
125.09675	1.6
125.13236	4.6
127.03912	13.8
128.06273	1.2
131.04947	1.4
131.08551	5.4
133.02869	1.3
133.03944	2.1
133.04955	37.2
133.05922	1.9
133.10126	2.5
135.08057	15.6
135.11690	33.3
137.02338	69.6
137.03389	3.0
137.06013	1.1
137.13295	2.0
138.02704	1.8
139.03859	1.5
139.11154	1.3
141.01865	0.9
143.08549	2.0
145.04951	6.8
145.10103	2.5
147.04430	2.3
147.07996	2.3
147.11635	2.6
149.05959	1.3
149.09576	1.2
151.03903	2.3
151.07500	1.2
151.11237	2.6
153.05478	1.2
153.12737	100.0
154.13095	2.0
159.04446	3.5
159.08063	1.5
159.11687	2.2
161.09639	2.6
162.03038	1.3
163.03865	2.1
163.06065	3.0
163.07523	21.0
165.12753	5.4
169.05028	1.0
171.13792	6.8
173.09663	1.7
173.13226	1.4
175.03957	2.8
176.04715	1.2
177.01831	2.2
177.05502	2.8
177.12769	4.5
178.02585	1.2
179.03391	2.0
179.06920	1.1
180.00403	1.3
181.04930	5.1
181.08580	9.9
187.03941	2.0
187.11017	1.0
190.02635	1.5
191.03406	6.8
191.10660	1.3
192.04103	1.2
193.04944	2.4
195.02849	4.5
195.13765	2.2
197.04428	4.8
199.03859	1.5
199.09648	2.4
204.04201	1.8
205.04886	4.6
209.04472	4.0
215.03430	2.6
219.02867	1.0
219.06500	3.2
219.13873	3.5
221.04436	3.7
223.06062	2.2
229.04933	1.3
231.13812	3.3
233.04471	10.1
235.05991	2.0
239.05399	1.4
241.07137	1.3
243.02872	1.7
245.04468	1.5
247.06029	6.1
249.14763	2.2
251.05533	8.2
255.12279	10.1
257.04373	1.4
259.08105	1.3
260.03180	1.5
261.14813	2.9
263.05487	12.1
267.15979	3.1
273.13348	3.0
275.05478	9.3
277.09232	1.9
279.16022	1.1
285.16873	8.1
293.06454	6.4
296.24042	0.9
297.16931	3.6
303.04913	2.4
311.07553	1.9
315.17950	3.5
319.04498	3.5
357.11752	1.2
407.60651	1.0
447.08475	1.2
465.15662	2.8
465.21957	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	465.2613
Annotation	CHEBI:67690
Peak:m/z	Relative Intensity
53.25966	0.5
58.03869	0.5
69.44648	2.1
86.90948	0.6
177.47487	0.5
191.10524	0.6
202.56937	0.5
206.39006	0.7
257.30988	0.7
300.92029	0.6
465.26144	100.0
466.26523	6.7
489.82184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2616
Annotation	CHEBI:67690
Peak:m/z	Relative Intensity
51.80721	0.8
67.05492	1.0
68.79021	0.8
71.45669	1.0
86.06051	1.9
89.00014	0.9
96.29417	0.9
110.59585	0.9
137.05977	2.0
139.45079	0.8
152.04990	1.0
155.01575	1.3
168.04153	0.9
211.04237	5.2
322.79654	0.8
398.74683	0.9
465.26120	100.0
466.26611	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	465.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25478	0.5
55.01863	0.8
55.05508	1.5
59.28518	0.5
64.46535	0.5
65.03929	1.0
67.05503	7.3
68.95655	0.4
68.99802	1.6
69.07060	1.6
69.25075	2.7
79.05501	5.3
81.07056	6.8
91.05490	3.6
93.07046	2.4
95.04970	2.2
95.08617	2.3
97.06519	1.7
103.05484	0.7
105.07033	2.7
107.04941	3.7
107.08583	0.9
109.06534	1.3
109.10183	0.6
111.04421	0.8
115.05463	2.0
117.07011	2.3
119.08608	1.7
121.06522	2.1
123.04433	19.0
125.05994	28.7
126.03134	0.5
126.06292	0.6
129.07016	1.6
131.04961	0.6
131.08565	3.6
132.02066	0.7
133.06453	2.7
133.10130	0.5
135.08078	0.7
135.11824	0.6
137.05969	10.9
139.03891	1.5
140.80177	0.5
141.07030	1.5
143.08626	1.1
144.05721	0.5
145.06474	3.6
145.10139	3.1
147.04424	5.1
147.08051	1.5
148.05231	3.2
149.05977	12.4
149.09692	0.7
151.07562	1.0
153.05467	32.7
155.08562	2.5
157.06502	1.1
157.10132	1.2
159.08095	2.2
159.11633	0.7
160.05203	3.0
161.05977	27.3
161.09642	1.6
162.06586	0.9
163.07544	6.2
167.07039	1.1
167.08479	0.8
169.10126	1.7
171.08061	1.0
171.93994	0.5
173.05988	27.4
173.09624	2.3
174.06668	2.0
175.07539	6.9
176.04303	0.7
177.09088	2.6
179.07028	1.9
179.08519	0.8
181.06438	0.6
181.08600	0.6
183.08112	1.2
185.06035	0.9
185.09607	4.5
186.06813	0.7
187.07541	10.8
187.11217	2.0
188.08331	1.4
189.09103	28.1
190.09459	0.8
193.08687	3.3
197.09660	1.3
199.07558	3.5
200.08266	3.4
201.09097	28.2
202.09511	1.5
203.10672	21.7
207.10077	0.7
211.07637	0.6
213.09099	10.1
214.09644	1.3
215.10670	22.9
216.11009	1.0
217.12286	2.0
219.06551	1.6
220.06885	2.2
227.10696	2.9
229.12241	17.8
230.12498	1.1
243.13759	2.3
257.15146	0.5
281.17468	0.6
311.20020	1.6
433.23837	5.6
434.24222	0.6
437.27750	0.6
447.25235	5.3
448.25696	0.7
465.26358	100.0
466.26749	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	466.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05502	1.0
65.03933	2.4
67.05486	1.5
69.03432	4.5
69.07054	0.8
70.74689	0.7
71.01376	0.6
71.04981	1.8
72.05296	0.5
79.05477	0.6
81.03415	2.2
81.07053	2.3
83.04948	0.5
85.02888	2.7
85.06524	0.6
87.04450	0.9
91.05480	2.0
93.03435	0.6
93.07034	2.6
95.04954	2.7
95.08592	2.1
97.02896	1.4
97.06493	0.6
99.04459	1.2
103.05495	1.1
105.07017	2.9
107.04978	1.0
107.08585	2.4
109.02870	1.6
109.10137	2.3
111.04424	2.9
115.03973	0.8
119.04939	2.3
119.08575	1.7
121.02861	100.0
121.10165	1.5
122.03180	1.6
123.04372	0.5
123.08026	0.6
127.03891	0.8
127.11205	0.7
128.06120	0.5
129.05501	0.6
131.04947	1.9
131.08566	0.9
133.02847	1.1
133.10107	1.0
135.04407	1.2
135.11668	1.0
137.02310	1.6
137.05986	0.7
137.09642	0.5
139.03908	2.0
143.04918	0.5
143.10683	0.6
145.02881	0.6
145.04944	0.7
145.10091	0.9
147.04399	5.6
147.11678	4.2
150.03094	1.2
151.03896	2.2
153.01877	0.5
153.05457	3.2
159.04366	3.0
159.11667	1.2
161.05956	1.0
161.13460	0.5
162.03116	2.4
163.03885	4.2
164.04767	0.7
165.01889	0.6
165.05385	0.7
167.03401	1.9
173.02391	1.0
173.13258	0.9
174.03215	0.7
175.03888	4.7
176.04643	1.2
177.05470	3.4
178.02589	2.9
179.03400	4.0
179.07030	0.8
180.00533	2.2
181.04926	1.0
187.03859	2.3
189.05437	1.5
190.02548	3.1
191.03375	14.8
191.07077	1.0
192.04147	1.3
193.04938	6.2
195.02881	11.1
195.06531	1.1
197.04442	7.5
202.02618	1.0
203.03413	1.1
204.04131	1.1
205.04953	9.3
206.02046	0.7
207.02899	1.6
207.06467	3.6
208.03679	1.2
209.04440	3.2
211.02388	1.0
215.03374	2.7
217.04956	2.6
218.02103	1.1
219.02875	1.9
219.06473	4.9
220.03645	0.7
221.04395	4.4
223.02492	2.3
223.05981	6.4
223.47272	0.5
225.03856	0.7
229.05011	1.2
230.02112	1.1
231.06531	0.9
232.03687	0.8
233.04425	17.2
233.18959	2.4
234.04906	0.5
235.05969	4.7
243.02928	0.6
243.15913	0.6
245.04489	4.0
246.04942	0.6
247.06082	5.2
250.64914	0.5
251.05505	21.0
251.16377	1.3
251.20074	1.4
252.05844	0.7
257.04440	1.3
263.05490	30.7
264.05945	0.9
265.79742	0.5
269.17471	2.2
269.21033	0.7
275.05484	4.4
281.06583	2.8
287.18573	0.7
293.06567	7.2
311.07581	9.0
320.04807	0.7
396.45724	0.6
449.10739	4.6
466.17200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
56.56260	0.4
57.03437	5.3
59.05004	1.1
61.02923	1.9
69.03061	1.0
69.03429	16.4
70.56950	0.7
71.04996	3.7
73.02901	1.5
75.04476	0.7
79.05491	1.9
81.03411	2.0
83.04995	0.5
85.02905	27.8
86.13931	0.5
87.04472	10.6
91.03936	1.6
97.02890	15.2
99.04412	1.1
107.04955	5.3
109.02896	2.8
110.03677	2.6
111.04441	0.8
115.03930	14.4
121.06512	1.0
125.05989	100.0
126.06322	2.0
127.03923	5.5
129.05463	2.1
133.04965	18.6
137.02345	9.2
137.03397	0.9
137.05968	1.5
141.05429	0.6
145.04950	10.1
147.06497	1.3
149.06009	2.0
150.07588	3.6
155.03386	13.3
155.04663	0.8
161.05954	0.5
163.06009	3.1
167.07056	1.1
180.08669	0.6
191.06995	1.7
222.21761	0.5
251.09190	1.3
259.08078	0.6
269.06769	0.6
287.11322	0.7
312.12756	0.6
467.02158	0.6
478.23154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01867	5.1
57.03431	3.3
61.02943	3.1
64.10025	2.2
67.90697	2.5
69.03423	14.3
71.05015	2.4
73.02908	4.5
81.03426	9.3
85.02900	41.2
87.00826	15.5
97.02878	16.2
99.04449	5.0
103.03964	2.7
105.01865	25.8
105.07077	3.9
108.04475	3.0
109.02872	15.3
117.77530	2.6
122.94934	2.5
127.03930	31.9
132.05690	2.9
136.69075	2.4
141.01398	2.3
145.04967	13.8
147.02917	3.0
153.07021	7.0
154.07820	2.5
155.08553	10.3
157.31689	2.2
159.02835	11.5
165.07031	9.0
168.05684	6.8
182.07269	2.7
183.08049	100.0
189.03952	5.5
197.09610	6.3
221.09586	4.1
225.09067	8.3
231.05045	8.5
237.08940	2.6
249.09094	3.2
256.62827	2.3
267.10199	2.8
291.10132	8.9
309.11331	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	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.45026	0.7
56.32510	0.8
57.03440	4.6
66.51479	0.7
67.05505	1.6
69.03436	1.2
69.30450	2.5
71.01326	0.7
71.04999	7.1
71.58138	0.8
72.05350	2.1
73.02918	1.4
75.04480	1.5
77.17690	0.7
79.05493	17.0
80.61212	0.8
81.07058	6.9
83.01337	2.0
83.05006	0.7
83.55704	0.7
85.02904	13.4
86.03253	1.7
91.05483	11.1
93.07040	9.8
95.01353	5.1
95.04965	1.2
95.08605	1.4
97.02895	1.3
97.06535	3.7
99.04459	2.0
105.07014	7.5
106.68176	1.0
107.04961	7.7
107.08594	100.0
107.17899	0.8
108.08939	2.3
109.02933	0.8
109.06516	3.6
109.10148	2.4
111.08073	1.7
113.02389	2.0
115.05470	1.8
117.07018	3.6
119.06070	2.7
119.08627	1.2
121.06502	3.8
123.00805	0.9
125.06005	8.2
125.09640	2.2
127.03949	0.9
129.05469	2.4
131.04890	1.1
135.08054	52.3
136.08421	2.1
137.05920	0.8
141.01810	9.8
145.06508	1.1
153.01854	1.8
153.09106	11.9
154.02113	1.0
163.07536	85.4
164.07906	1.5
165.01830	1.3
166.02310	0.8
181.08583	11.7
199.09702	3.5
205.12178	0.8
206.36180	0.7
209.08125	2.7
209.11711	1.3
213.39995	1.1
237.07602	1.6
237.11201	8.9
245.04337	1.0
255.12274	99.4
256.12701	2.9
269.10211	3.2
273.13443	1.3
274.04199	1.5
319.04462	9.3
320.04785	20.7
321.04938	1.3
321.13144	1.0
339.10690	1.3
345.02942	1.8
395.13580	0.9
413.14435	5.1
431.15564	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	466.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03434	1.1
61.02922	0.7
68.99797	0.5
69.03439	1.3
69.50784	0.9
69.51172	1.1
71.04972	0.5
72.08159	0.5
72.68410	0.4
73.02903	0.8
74.94109	0.4
79.05488	1.8
80.98872	0.4
81.07056	0.6
85.02906	4.5
91.03957	0.5
91.05502	0.7
93.03402	3.3
93.07006	0.7
95.05000	0.6
97.02879	1.6
99.04453	0.4
103.05466	1.2
105.03414	0.7
105.07057	0.7
107.04957	9.1
109.02853	0.6
115.05450	0.6
119.04868	0.7
121.06514	1.2
131.04938	2.4
133.06493	5.3
135.04410	1.4
135.08096	0.6
137.06015	0.8
139.03896	1.6
145.04936	0.9
145.06485	0.5
147.04405	0.6
149.05951	2.7
151.03795	0.5
153.05493	1.0
155.07021	0.7
159.04420	5.5
161.05972	3.4
163.03893	3.7
163.07553	1.9
169.04964	1.4
175.03995	0.5
176.04745	0.6
177.05486	12.9
178.02663	0.8
178.06210	0.9
180.08719	0.7
181.08592	1.4
187.03864	0.6
191.07014	3.1
193.04974	7.9
193.08632	3.5
194.05742	1.5
195.06511	4.0
199.06015	1.3
205.04932	1.5
207.02882	0.7
207.06468	1.2
209.08083	15.9
219.06499	1.9
222.05263	2.0
225.07626	1.6
237.07576	100.0
238.07965	2.9
255.08620	3.5
269.10202	19.4
282.78088	0.5
287.11249	2.3
293.07977	0.7
316.13675	0.6
449.18103	0.7
466.17642	0.9
466.23532	0.6
467.18930	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00907	0.8
53.03948	1.4
54.53448	0.7
55.01880	2.1
55.05518	2.0
56.31009	0.8
57.03438	2.0
57.13933	0.8
61.02934	1.3
65.03955	1.0
67.05501	2.1
69.03427	9.0
69.07059	3.5
70.03765	0.8
70.04812	2.4
71.01366	1.0
71.04987	4.3
73.02913	1.5
79.05489	13.2
81.03419	1.6
81.07062	8.8
83.01347	3.5
85.02900	8.9
86.03238	1.8
87.04470	2.7
88.04819	1.1
91.05475	8.3
93.07039	7.2
95.01331	3.4
95.04983	1.3
95.08595	1.7
96.08940	1.1
97.02898	5.8
97.06542	3.4
98.03214	1.5
98.22749	1.7
99.04442	4.5
105.07053	5.6
106.07333	0.8
107.04967	3.0
107.08591	49.8
108.08920	2.3
109.06538	2.9
109.10164	2.9
113.02371	1.2
115.03914	3.8
115.05485	2.1
116.04227	1.0
117.07005	5.5
119.06078	1.8
119.08575	0.9
121.06461	1.6
121.10159	4.0
125.05997	1.0
125.09599	2.7
127.03923	2.8
133.04953	3.9
134.05371	1.2
135.08051	51.0
135.11670	3.5
136.08385	2.4
136.12007	2.6
137.02325	8.7
138.02670	3.7
139.03880	1.0
141.01848	6.4
147.04503	1.0
149.09618	2.1
153.09088	2.8
153.12732	9.5
154.13089	7.5
163.07539	100.0
163.80637	0.7
164.07898	2.1
177.67931	1.0
181.05042	1.5
181.08588	38.1
182.08913	1.4
199.09644	10.5
237.07816	0.9
237.11101	2.3
255.12285	49.7
256.12561	1.8
264.05911	1.2
273.13300	17.0
276.05945	1.5
304.09360	1.1
305.10086	4.5
320.04504	1.1
339.10858	1.4
357.11813	5.0
377.39655	1.0
413.14359	1.8
467.15121	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	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00022	0.3
53.03931	0.5
55.01853	0.3
57.03431	1.5
61.02935	1.3
69.03435	4.1
70.52117	0.2
70.60025	0.4
71.04996	2.9
73.02916	1.0
75.04478	0.4
79.05497	1.1
80.70480	0.2
81.03421	1.2
83.05011	0.3
85.02905	17.9
87.04485	1.3
91.03939	0.7
95.04951	0.5
97.02893	4.7
99.04468	0.7
103.03931	0.4
107.04958	5.5
108.75864	0.2
109.02899	1.2
110.03665	2.5
115.03945	1.8
121.06493	0.7
125.05991	100.0
126.06320	1.3
127.03929	4.0
127.08566	0.2
129.05473	1.7
133.04951	1.5
137.02335	1.5
137.05991	1.1
141.05534	0.5
145.04962	7.3
147.06516	1.0
149.05991	2.2
150.07533	0.3
153.05438	0.3
154.94194	0.3
155.03410	1.5
160.19185	0.2
161.06004	0.8
163.06023	3.4
163.07527	0.4
164.09132	0.3
165.05484	0.4
167.07088	1.2
190.79262	0.2
191.07027	1.8
207.06506	0.3
225.85530	0.2
233.08105	0.6
251.09174	1.0
269.10242	0.3
283.43176	0.3
287.11218	0.7
325.11383	0.3
326.56339	0.2
387.10184	0.2
431.38940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.5
56.11295	0.9
57.03434	9.1
61.02924	2.7
69.03426	4.3
70.11185	2.3
71.04993	58.2
73.02917	6.3
75.04482	5.8
81.03422	1.0
83.04996	6.6
85.02903	100.0
87.04464	2.2
90.30807	0.9
97.02881	5.8
97.94843	0.9
99.04454	1.7
101.05976	0.9
103.03938	1.1
103.74198	1.0
109.02879	8.8
109.06273	1.1
111.04450	4.0
115.03925	1.4
122.03693	1.2
127.03922	3.7
129.05475	40.5
133.02856	1.8
137.05983	32.8
141.05466	8.2
145.04984	2.6
147.04411	1.3
147.05363	1.3
147.06516	24.8
147.07643	1.9
153.05473	1.6
164.09219	6.5
165.05476	2.7
177.05444	2.0
207.06541	3.6
255.08653	2.2
267.08743	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01604	0.6
53.03953	1.1
55.01878	1.8
57.03444	4.4
65.03941	1.3
67.05499	2.6
68.99805	1.1
69.03423	2.4
69.31277	3.5
71.01368	1.2
71.04997	20.4
72.05331	4.2
73.02918	1.4
74.82052	0.7
79.05498	16.1
81.03413	1.0
81.07056	7.2
83.01346	1.8
83.04963	0.8
85.02911	20.0
86.03259	2.9
87.84734	0.6
91.05476	8.9
93.07047	5.8
95.01337	3.7
95.04982	1.7
95.08601	1.1
97.02892	1.1
97.06513	4.8
99.04436	1.9
105.03384	0.7
105.07037	6.1
107.04978	6.7
107.08595	81.5
108.08932	1.3
108.36711	0.5
109.02911	1.5
109.06516	3.5
109.10154	1.8
111.08115	1.2
113.02358	1.5
114.52827	0.6
115.05472	1.6
117.07011	3.8
119.06087	2.5
119.08566	1.4
121.06516	3.0
121.10152	1.4
123.04398	0.7
125.06019	5.0
125.09655	2.2
127.03903	1.2
129.05492	3.6
130.05835	1.5
131.07033	1.0
131.08496	1.0
135.04443	0.9
135.08055	48.9
136.08369	0.7
137.02356	1.4
137.05946	0.8
138.02701	1.0
139.03917	1.2
141.01820	8.4
145.06471	1.0
147.06454	0.7
149.09631	0.9
149.87979	0.6
153.01849	5.9
153.09119	8.4
154.02208	1.7
163.07549	72.0
164.07893	1.7
165.01807	1.5
165.48979	0.6
166.02243	0.8
181.08600	11.1
181.39574	0.6
199.09618	3.4
209.11752	1.2
215.33284	0.6
217.05029	0.7
218.05336	1.7
232.29857	0.6
237.11215	7.3
241.14352	1.0
245.04405	1.8
246.04820	2.6
251.16531	0.7
255.12289	100.0
256.12683	3.8
264.05759	1.0
269.10260	1.1
269.13840	1.5
273.03897	1.3
274.04349	1.9
291.04602	0.8
303.04993	1.1
304.05283	2.3
319.04492	20.0
320.04831	44.0
321.05081	1.9
339.10889	1.3
395.13370	1.7
413.14499	4.2
431.15485	15.0
432.15945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.9
55.01868	2.5
55.05506	4.2
57.03436	3.0
57.07067	2.3
59.04996	8.0
60.87514	1.9
61.02918	3.0
67.05508	7.3
69.03433	15.8
69.07065	16.5
71.04999	7.9
72.08998	1.9
73.02937	4.2
73.28690	1.9
78.42824	1.8
78.65202	1.9
79.05499	9.0
81.03419	14.8
81.07059	28.7
83.08600	5.9
85.02905	35.6
85.06519	2.6
87.00827	13.8
91.04005	2.1
91.05499	5.5
93.07043	7.5
95.04961	13.4
95.08617	14.9
96.08143	2.0
97.02898	21.9
97.06530	5.1
99.04485	8.5
105.01852	15.3
105.07046	14.7
107.08595	49.6
109.02892	11.8
109.06519	19.7
109.10188	2.8
114.09237	2.6
114.23274	2.1
115.67319	2.5
117.01870	2.5
119.08595	9.4
121.02895	6.0
121.10143	8.7
123.11708	100.0
127.03922	32.3
127.07535	3.9
141.12747	37.5
145.04968	14.4
145.10167	3.1
147.02789	2.2
147.11687	34.5
159.02913	6.1
161.63197	2.2
165.12750	55.0
183.13820	61.1
201.14821	35.5
231.05026	9.3
249.06084	3.4
273.06058	6.9
308.18179	2.5
319.07025	2.7
357.38181	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	466.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.01875	6.7
55.05510	3.1
55.88014	1.2
57.03440	4.0
57.07071	1.9
61.02925	2.8
67.05503	11.3
68.99783	2.2
69.03429	19.1
69.07069	8.6
71.05001	6.9
71.27383	1.1
73.02917	3.7
79.05508	4.8
81.03419	11.5
81.07056	28.8
83.04990	3.9
83.08627	5.1
85.02907	48.2
85.06553	4.8
87.00334	2.7
87.00829	19.6
87.01334	1.9
91.05495	5.2
93.07047	10.1
95.08607	20.6
97.02892	14.5
97.06548	2.3
99.04463	9.8
103.03927	1.6
105.01867	21.3
105.07026	15.0
107.04972	2.3
107.08589	17.2
109.02888	13.8
109.06522	2.1
109.10152	22.2
111.08082	1.3
113.06047	5.1
115.03893	1.3
119.08607	4.9
121.10156	9.7
123.08098	2.7
123.11713	33.9
125.09626	13.7
127.03923	31.2
127.04872	1.7
127.07570	4.7
129.01768	2.3
131.08574	1.6
135.11652	1.3
137.09630	1.7
137.13255	13.6
138.05476	1.7
139.11165	2.0
145.04988	8.1
145.10146	1.7
147.11674	26.7
157.38881	1.4
159.02888	3.7
159.11813	1.4
165.12749	47.5
175.11185	1.4
181.12216	1.3
183.13809	100.0
201.14821	19.7
211.13252	1.5
213.03952	3.0
218.82668	1.3
231.05032	6.7
233.15421	2.7
249.06049	2.0
251.16446	1.7
269.17526	4.7
291.15921	2.1
305.13422	1.5
351.17868	1.6
407.84549	1.4
467.22919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01867	3.5
57.02122	0.6
57.03436	7.5
57.07065	1.0
59.04999	0.8
61.02930	3.5
67.05502	2.0
69.03427	10.7
69.07069	1.1
70.51671	0.8
71.01346	1.3
71.73009	0.6
73.02917	10.8
73.03297	1.2
79.05487	4.5
81.03424	1.0
81.07056	100.0
82.07383	1.0
85.02905	32.6
87.04462	1.4
91.03961	0.9
95.08596	9.4
97.02887	14.0
98.22737	0.7
99.04471	1.1
103.03938	1.3
109.02882	2.2
112.49555	0.6
115.03954	6.2
127.03911	8.2
132.06551	1.0
133.04991	7.4
137.13252	87.6
138.13559	2.1
145.04959	8.3
150.07607	1.5
163.06018	6.9
217.44301	0.6
223.06056	1.5
241.07091	0.8
259.08109	2.7
295.10297	1.3
310.37625	0.6
313.43143	0.7
317.19467	2.3
448.39554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.64657	0.6
57.03437	12.8
57.07072	1.2
59.05006	2.0
61.02919	2.1
66.09713	0.7
67.05503	2.8
69.03429	38.2
69.07067	0.8
70.51924	1.3
73.02921	5.2
79.05505	3.6
81.03423	2.3
81.07055	97.4
82.07394	1.2
85.02904	38.3
87.04468	24.3
91.03975	1.0
95.08624	7.8
97.02893	35.6
99.04466	1.6
103.03983	1.0
109.02872	2.1
115.03932	42.9
123.04431	1.0
127.03941	6.3
133.04965	39.6
133.68442	0.6
134.05257	1.0
137.13251	100.0
138.13585	3.3
141.78787	0.7
145.04938	10.2
150.07629	5.0
151.87093	0.6
163.05995	6.9
169.04955	1.0
187.06026	1.0
211.05804	0.8
219.08139	0.6
223.05978	1.4
228.63870	0.8
238.86745	0.7
241.07060	2.0
259.08182	4.3
277.09158	2.6
295.10260	6.2
317.19495	3.0
361.78299	0.7
467.18726	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72276	0.6
55.05516	3.8
57.03434	5.5
61.02923	1.7
65.03932	0.7
67.05505	17.6
69.03416	1.4
69.07070	5.9
69.31124	1.1
69.31519	2.2
71.04971	1.5
71.61879	0.6
73.02914	2.0
79.05489	8.5
81.03389	0.8
81.07057	26.8
83.04981	2.9
83.08624	4.5
85.02904	2.3
85.06543	2.1
87.17354	0.6
91.05484	3.7
93.07050	18.5
93.07610	1.3
95.04987	1.6
95.08600	6.2
97.02890	1.6
97.06529	3.3
97.10174	0.8
98.23478	1.2
99.08073	1.1
100.41046	0.7
105.07021	1.6
107.08598	10.4
109.06477	0.6
109.10148	0.7
111.08089	2.5
117.07024	2.8
121.10151	7.4
123.11751	0.7
127.03918	0.8
131.08577	2.5
133.10149	2.0
135.08044	0.7
135.11719	3.9
149.13261	15.2
159.11697	6.5
177.12814	3.6
184.03348	0.8
195.13814	5.9
212.41760	0.6
233.51062	0.7
240.70248	0.7
269.17480	100.0
270.17865	3.7
282.70416	0.7
300.35687	0.7
352.57700	0.7
431.22781	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93445	0.7
54.90249	0.8
55.01876	1.0
55.05503	2.7
57.03441	6.8
57.07059	2.4
59.04996	1.5
61.02915	1.9
67.05502	11.7
69.03076	1.2
69.03431	17.9
69.07069	6.6
71.43589	0.9
73.02899	1.0
75.04472	1.0
75.74045	0.8
79.05497	11.5
81.03412	2.9
81.07056	100.0
82.07396	1.8
83.04976	1.7
83.08604	3.0
85.02909	15.5
87.00826	1.1
87.04478	11.6
91.05476	3.5
93.07048	9.1
95.04961	1.7
95.08604	20.4
97.02898	17.2
97.06517	3.2
99.04433	1.2
99.08047	1.2
105.07017	3.3
107.08614	4.7
108.22286	0.9
109.02887	2.2
109.10144	2.3
111.08134	1.1
115.03931	24.5
117.07034	1.8
121.10155	2.4
123.11729	1.3
127.03896	3.3
127.04809	0.8
131.08546	2.4
133.04974	28.8
133.10110	1.3
134.05301	0.9
135.11687	2.0
137.13251	21.7
137.71486	0.8
138.13603	1.3
145.04935	2.3
145.10130	2.3
147.11646	1.4
149.13248	5.7
150.07634	5.1
159.11670	4.7
177.12776	5.4
179.14310	2.6
195.13809	2.0
201.16339	2.5
251.16345	1.5
259.08084	2.5
269.17474	30.3
277.09357	1.2
295.10312	1.9
309.99023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61902	0.5
53.03942	1.1
55.01872	0.7
55.05501	1.2
57.03437	3.5
57.07060	0.8
59.04987	0.9
61.02930	1.0
63.05431	0.5
67.05495	3.0
69.03429	8.7
69.03828	0.7
69.07058	1.8
69.41608	1.0
69.42012	2.1
73.02910	4.5
79.05496	5.7
81.03439	1.0
81.07056	100.0
82.07384	1.5
85.02907	12.5
87.04469	6.2
93.07034	1.0
95.08604	12.9
97.02889	11.0
99.04428	0.7
109.02874	1.3
109.10136	1.2
115.03934	11.1
126.26021	0.6
127.03908	3.9
133.04965	13.0
133.26082	0.5
137.13249	23.8
145.04961	4.0
150.07625	2.0
158.87453	0.6
163.06039	2.0
164.59886	0.5
179.53571	0.5
211.06146	0.5
218.43117	0.5
223.06056	0.8
241.07133	1.0
252.24843	0.5
259.08112	1.3
295.10190	1.3
300.12082	0.5
382.62662	0.5
477.61880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.9
55.05511	4.8
57.07070	5.2
60.40703	2.1
66.92554	2.1
67.05504	2.6
69.07068	6.8
71.08600	2.1
71.46147	2.0
74.16295	2.0
79.05499	2.9
81.07051	4.7
83.08624	2.6
85.10186	2.7
95.08651	3.0
105.07035	2.2
107.04943	5.3
107.79957	2.1
119.05000	2.5
123.04459	2.5
125.05984	27.4
133.06497	5.9
135.07933	2.3
137.05975	4.3
138.03079	3.8
143.40050	1.8
144.02646	1.8
145.06441	2.3
147.04379	3.8
147.08058	4.4
149.05998	3.7
152.34570	2.1
152.65346	1.9
153.05458	100.0
161.05986	11.9
163.07506	10.8
166.34531	2.5
166.91148	1.9
167.07094	2.2
169.04933	11.1
173.09688	2.1
175.07555	6.6
177.09102	5.3
179.07028	7.4
189.09091	3.2
193.08618	36.7
203.10657	3.0
207.10214	4.3
211.05925	3.2
219.13652	2.0
297.22098	2.9
315.23215	20.2
319.26276	2.9
329.24643	5.3
345.62347	2.1
347.25784	88.6
348.26169	9.0
389.26846	7.4
459.42911	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	466.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59312	100.0
69.59694	85.2
83.04154	38.1
91.05460	47.3
92.70617	47.8
93.94463	42.9
98.23543	50.7
99.07624	38.2
153.05533	76.8
170.31238	52.7
243.25504	47.3
466.31866	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52247	28.5
66.04939	29.2
69.90354	100.0
89.06050	38.5
93.83097	24.0
109.17531	28.5
181.05029	38.4
184.84756	26.8
196.07306	79.8
211.09659	69.6
255.23277	41.9
314.13303	28.6
359.23825	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.3
55.01865	9.0
55.05508	10.7
57.03428	9.3
57.07067	2.2
59.04951	2.0
61.02910	9.0
65.03959	2.2
67.05495	15.2
68.99785	6.7
69.03071	2.4
69.03427	41.2
69.07066	12.5
70.62479	3.4
70.78437	2.1
71.04987	5.5
73.02928	9.5
75.34180	2.0
79.05483	14.5
81.02963	3.2
81.03411	45.2
81.07054	24.4
83.04971	4.8
83.08605	4.5
85.02901	78.2
87.00332	3.6
87.00826	31.4
87.04461	3.1
89.06004	2.0
89.76529	1.9
91.03960	2.7
91.05474	23.3
93.07040	22.6
93.27901	2.0
95.04957	9.1
95.08602	40.6
97.02891	28.4
99.04436	16.6
100.11274	4.2
105.01862	21.1
105.06348	3.7
105.07024	49.4
107.04932	4.1
107.08597	32.3
109.02868	32.9
109.06523	3.7
109.10145	18.8
111.04435	3.6
115.03954	3.5
115.05428	2.3
117.01852	4.6
117.07024	16.5
119.08570	39.3
121.06508	2.8
121.10152	19.8
123.04391	4.9
125.09686	2.4
127.03917	48.9
129.01831	7.1
129.05525	2.6
129.06987	8.4
130.07745	4.1
131.08577	29.2
133.06540	2.0
133.10124	23.5
135.11702	10.4
137.05948	3.3
141.07033	4.0
142.07784	3.8
143.08553	13.1
145.04951	16.2
145.10114	50.6
147.02878	2.5
147.11694	24.1
149.09555	2.9
149.13246	4.0
155.08496	4.7
157.10120	13.7
159.02858	18.1
159.08087	2.1
159.11684	37.4
161.09636	2.5
161.13239	38.3
163.11221	4.5
163.14804	6.5
169.10129	5.9
171.08073	2.8
171.11687	9.1
173.13223	15.9
175.14825	7.9
177.12689	2.8
181.02530	1.9
182.15439	5.7
183.11710	7.6
185.13210	8.5
187.14864	10.3
189.03824	2.3
189.16359	6.0
191.17972	5.9
193.10114	2.7
195.11636	2.7
197.13219	4.9
199.14767	13.9
201.16377	100.0
202.16685	4.0
203.14307	4.1
203.17958	37.0
205.15878	5.0
210.14897	2.4
211.11205	2.4
211.14865	5.7
213.16380	5.6
215.14249	4.6
215.17908	2.5
217.15871	12.1
219.17429	26.1
223.14919	2.8
225.16344	4.2
229.15860	5.1
231.04991	8.5
231.17354	3.9
241.15962	2.9
243.17384	5.7
261.18503	4.7
267.17334	3.0
285.18408	2.8
291.17407	2.3
309.18433	5.7
327.19470	7.3
345.20685	3.0
363.21814	4.0
381.22446	3.6
405.22601	2.6
431.20624	8.0
449.21719	20.9
452.41565	2.1
467.22812	31.1
467.70236	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	467.2792
Annotation	Wilforol A
Peak:m/z	Relative Intensity
50.40835	0.5
53.03940	0.9
55.01851	1.5
55.05508	2.8
57.03418	1.2
57.07074	6.2
58.46820	0.5
65.03938	1.4
67.05503	10.4
68.99792	6.0
69.03412	0.8
69.07049	2.5
69.83596	1.3
69.83949	1.1
71.08638	4.2
77.03929	0.8
79.05492	5.9
81.07056	11.2
82.04188	1.1
83.04924	0.7
83.08617	2.2
85.10168	2.2
89.06046	0.8
91.05482	4.4
93.07036	4.8
95.04988	3.5
95.08025	0.8
95.08607	11.9
97.06520	2.7
97.10144	0.8
98.22806	0.7
98.97827	0.6
98.98459	7.7
103.05444	1.4
105.04476	0.5
105.07007	2.4
107.04947	6.8
107.08580	2.1
109.06502	1.6
109.10153	4.7
110.03648	1.5
111.04419	1.7
115.05457	2.1
117.07004	2.5
119.08563	1.4
121.06498	6.0
121.10114	2.5
123.04425	25.0
123.11720	1.0
125.05987	34.0
128.06230	0.6
129.06993	1.6
131.04929	0.9
131.08511	1.3
133.06473	4.5
135.08057	10.0
135.11674	1.3
137.00011	0.7
137.05971	12.9
139.03874	1.8
144.05704	1.0
145.06485	2.4
147.04393	2.1
147.08044	5.3
148.05168	1.6
149.05980	34.2
149.09616	1.6
150.06273	0.7
151.07565	1.3
153.05466	41.2
154.05782	0.6
155.01036	8.1
157.06435	1.3
159.08006	0.8
160.05171	1.9
161.05984	11.9
161.09602	1.0
162.06750	1.9
163.07535	100.0
164.07866	1.9
171.07948	0.6
173.06021	4.9
173.09549	1.3
174.06750	0.8
175.07541	10.8
175.10999	0.6
176.08186	0.6
177.09102	43.1
178.09290	0.6
179.07037	5.8
187.07555	2.3
189.09105	7.7
191.07028	0.9
191.10606	5.4
193.08618	7.6
193.10208	1.1
201.09102	2.3
203.10669	6.0
205.12250	0.6
207.10152	1.7
215.10655	1.6
217.12137	3.1
219.10258	1.5
229.04810	0.8
231.13731	0.6
233.11818	1.4
239.23720	1.3
247.13409	0.7
261.94125	0.5
281.07904	0.7
313.27359	17.9
327.22897	0.7
334.69296	0.6
338.27933	0.8
351.32996	0.6
357.25739	0.5
435.25351	1.9
439.28665	0.8
449.26743	7.3
467.27911	27.2
468.28375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36375	1.0
53.03946	1.1
55.05510	3.4
65.03937	1.8
67.05506	11.1
68.99787	6.3
69.07082	1.8
69.26251	5.1
79.05504	7.0
80.94846	1.2
81.07059	15.4
83.08596	2.3
91.05475	6.1
91.14392	1.0
93.07046	6.1
95.04964	4.0
95.08593	7.1
97.06541	2.6
100.34718	1.0
103.05457	2.7
105.07038	2.1
107.04957	4.7
107.08598	2.2
109.06531	3.1
109.10161	1.7
111.04437	1.9
117.07033	1.4
119.08582	1.6
121.06516	10.4
121.10141	7.7
123.04440	38.6
125.05994	46.0
129.07008	2.1
130.10385	1.0
131.08601	1.4
133.06506	3.9
133.10158	1.1
135.08072	3.7
135.11725	2.2
137.05974	17.0
139.03918	1.8
145.06506	2.0
146.10381	1.0
147.04391	7.7
147.08038	3.4
148.05203	1.3
149.05986	100.0
149.13330	1.2
150.06340	2.4
151.07497	1.3
153.05473	66.8
160.05174	2.9
161.05992	25.3
162.06660	0.9
163.07550	32.5
164.36475	0.8
165.01653	1.0
165.05484	0.9
167.07079	1.5
170.66385	1.0
173.05988	3.9
175.07559	24.4
177.09105	10.1
179.07042	5.0
187.07639	1.1
187.85019	0.9
189.09088	11.0
191.10518	1.2
193.08595	14.0
194.59732	1.0
196.07333	2.9
196.13196	0.9
201.09117	1.8
203.10686	16.3
207.10153	1.9
215.10699	2.1
217.12260	13.4
229.12270	1.3
231.13727	1.9
243.06514	1.2
269.08102	1.4
319.22632	1.3
343.22687	5.1
357.24377	1.3
371.18518	1.1
399.21454	1.4
407.27820	1.0
435.25180	2.8
449.26932	4.2
467.27927	45.2
467.37857	2.0
468.28311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3733
Annotation	Certonardosterol D5
Peak:m/z	Relative Intensity
51.07883	3.4
55.01884	5.4
55.05506	26.0
57.03410	5.2
57.07074	44.8
65.43073	3.4
67.05503	10.6
69.07068	45.2
69.17000	18.3
71.08637	24.3
71.99485	3.7
79.05503	5.2
81.07040	10.7
82.08691	3.3
83.04967	8.2
83.08628	25.9
85.02859	4.2
85.10175	8.9
91.05476	5.9
93.07011	4.9
95.08594	15.7
97.06520	6.6
97.10167	27.3
98.07210	3.0
98.23460	5.3
107.08583	4.9
109.06518	5.6
109.10157	10.1
111.04427	10.2
111.11691	17.1
119.08555	4.4
123.11697	5.0
125.06013	6.8
125.13279	5.3
126.40108	3.6
133.10170	4.4
135.04439	9.8
137.05965	9.3
137.94217	3.6
139.03894	73.6
139.07555	33.5
149.13246	3.8
151.07576	4.2
153.05478	63.7
155.07018	11.8
165.05463	14.5
167.07028	35.9
171.05063	6.2
171.06522	100.0
171.14185	3.8
179.10646	8.2
206.01253	3.7
207.10309	4.3
212.81116	3.6
375.66238	4.2
405.33246	4.4
413.34198	9.1
431.35284	59.2
449.36282	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	468.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	0.5
64.69400	0.4
69.67867	0.6
69.68210	1.4
70.28027	0.4
79.05506	0.7
85.02904	1.5
91.05511	0.9
93.07047	1.5
97.02908	0.8
98.97581	1.8
100.38235	0.3
102.67059	0.4
103.05470	6.6
107.04951	2.4
115.07523	0.4
120.08112	100.0
121.08467	1.9
131.04935	2.4
139.03842	0.5
142.08623	1.5
146.06351	0.4
147.84741	0.4
149.06013	2.1
160.09695	1.9
166.08649	49.8
167.09038	0.9
184.09723	0.5
232.99777	0.4
259.40439	0.4
272.18527	0.4
322.14825	0.7
325.02298	0.8
427.05792	0.5
471.26901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05496	1.7
57.03431	2.8
67.05501	17.7
69.03406	1.2
69.07062	2.1
71.04996	1.4
72.08149	13.2
74.19856	0.8
79.05499	2.6
81.07045	14.3
83.08618	0.9
85.02911	4.5
89.03931	2.2
91.05466	5.9
93.07047	3.9
95.01328	4.4
95.04973	4.1
95.08607	11.8
97.02926	1.1
98.97607	1.1
99.04445	1.9
99.08080	2.1
105.07045	1.0
107.04963	1.1
107.08595	1.8
109.06543	1.4
109.10152	67.3
110.10469	1.4
111.04447	1.4
112.11220	2.1
113.02369	1.2
117.03352	6.7
119.04940	7.9
119.08604	4.0
121.10159	2.8
125.05986	4.3
129.13881	1.8
131.03441	1.3
137.02301	1.9
137.06004	2.1
137.09607	87.9
138.02740	1.7
138.09964	1.2
139.03879	1.0
141.01781	6.8
141.07077	1.0
145.02843	24.5
146.16531	1.1
147.04398	34.5
147.08080	1.3
149.06033	2.3
152.05727	1.1
155.10664	17.1
155.11766	1.1
165.09103	41.4
168.52895	1.1
175.07593	2.4
177.05463	42.9
178.05737	1.0
183.10143	9.4
201.11205	20.7
204.10176	11.6
218.12041	1.3
221.08130	1.5
233.12909	3.6
234.11246	18.1
234.13463	1.4
237.02960	1.1
239.12764	60.0
240.13240	1.7
251.13928	1.5
257.13818	100.0
258.14230	2.6
271.09976	1.8
271.19135	1.5
275.14880	8.5
275.17493	1.6
292.20187	6.4
304.20215	3.3
305.18692	2.3
317.50543	0.9
322.21234	16.3
432.24951	1.2
433.17209	3.0
451.22357	3.1
468.13943	2.1
468.19730	1.7
468.24948	34.7
469.19507	3.1
491.75281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01869	3.6
55.05513	9.5
64.99258	1.1
67.05506	7.9
69.03410	2.7
69.07060	3.4
71.04980	5.2
72.08145	5.6
79.05484	16.3
79.67584	1.2
81.03403	3.4
81.07062	15.1
83.04984	9.5
85.02911	5.9
85.06501	1.6
87.04468	8.8
89.03877	1.4
90.67747	1.3
91.05470	12.5
93.07050	12.9
95.04959	6.1
95.08599	6.9
97.02905	2.8
97.06517	4.2
97.10121	3.2
98.22672	2.1
99.04440	5.7
99.08110	1.8
101.06015	16.4
105.07024	14.2
107.04984	2.3
107.08613	7.4
108.09004	1.7
109.06504	5.0
111.04456	12.9
111.08077	1.8
113.05980	2.8
115.03927	5.9
117.03355	3.9
117.05474	1.7
117.06989	2.9
119.04928	3.7
119.08569	7.0
121.06519	4.3
121.10144	10.0
123.08081	12.2
125.05993	3.3
125.09636	13.8
127.03944	1.2
129.05476	9.3
129.06979	9.2
129.13853	1.5
131.08553	4.6
133.06485	9.1
133.10147	4.8
135.08047	5.2
136.08368	1.2
137.05991	22.4
137.09654	1.4
139.07523	1.3
139.11168	2.2
143.08548	5.7
145.02815	9.9
145.10088	4.0
147.04398	11.1
147.06516	2.2
147.08017	3.1
147.11662	8.2
149.05948	2.1
151.07518	6.3
152.05704	1.6
153.09103	2.1
155.07040	7.5
156.47011	1.3
157.10118	9.8
161.09616	2.1
161.13258	5.2
163.07527	5.0
164.07939	1.3
165.08075	1.3
171.11690	27.1
173.09634	6.6
173.13249	5.0
173.29967	1.2
175.11142	9.4
177.05431	12.5
181.10147	3.4
184.07339	1.3
189.12741	22.9
193.12250	10.9
199.11136	12.6
204.10239	3.9
207.13786	10.5
217.12228	46.2
225.14729	1.9
234.11261	6.9
235.13278	47.1
236.13593	1.9
253.14343	100.0
254.14723	3.7
255.12170	2.6
257.13010	1.8
271.15399	43.0
289.16492	3.5
292.20148	2.8
305.18527	1.5
322.21152	5.4
468.24973	10.4
469.20151	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.8
55.05506	0.9
57.03180	1.4
57.03437	18.5
59.04987	4.6
60.04514	1.5
61.02931	1.2
69.03429	59.1
69.07072	5.3
69.28084	4.0
71.01325	1.0
73.02917	13.1
81.03414	1.9
81.07041	0.9
83.04987	1.3
85.02903	46.1
86.03275	0.8
87.04468	48.9
91.03961	1.1
95.04993	1.0
97.02893	67.4
98.03223	0.9
99.04460	2.7
109.02843	2.0
115.03928	87.4
116.04273	2.1
121.10195	1.4
127.03903	7.0
133.04964	100.0
134.05240	1.1
139.11179	12.0
144.06558	2.2
145.04964	11.1
150.07587	5.3
157.12242	17.3
161.00520	1.0
162.07663	1.2
163.02414	0.8
163.06027	2.4
169.04961	2.2
180.08655	1.1
184.37662	0.9
187.06064	1.1
201.09221	0.9
203.18018	0.8
222.39699	1.0
223.06082	1.1
241.07092	1.8
253.14340	0.8
259.08075	4.8
271.15341	4.0
277.09119	2.5
283.15424	1.4
295.10239	3.1
301.16412	7.1
302.16696	1.0
309.71878	0.8
319.17303	1.1
319.84872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46819	0.5
58.06571	0.5
65.03934	1.2
66.94520	0.6
69.62436	1.7
72.08153	39.9
75.09233	0.8
81.07040	0.6
84.08141	1.2
89.03906	4.6
91.05473	9.9
94.60954	0.4
97.02885	0.5
98.23415	0.6
106.04172	0.6
109.10162	0.8
112.11250	4.6
117.02559	1.0
117.03374	15.8
117.04201	0.9
119.04939	21.8
123.04381	0.4
129.13893	3.0
134.03603	1.0
135.04425	0.6
137.09636	1.2
145.02838	59.0
146.03185	1.1
146.16524	1.3
147.04399	71.8
148.04738	1.6
149.05966	5.9
152.05678	1.4
155.10629	0.5
155.11786	2.3
165.09094	1.1
172.14447	1.7
176.10703	0.7
177.05460	100.0
178.05806	2.1
182.84633	0.5
188.51274	0.5
203.11766	0.7
204.10170	9.7
205.10533	0.6
218.08620	0.6
218.12036	3.2
219.08977	1.4
221.12970	1.3
233.12833	5.2
234.11234	62.5
235.11580	0.9
251.13879	3.7
257.13705	0.6
274.19113	1.8
275.17471	4.1
292.20175	11.9
293.20764	0.6
304.20154	9.2
305.18506	7.2
318.18179	1.7
319.45203	0.5
322.21231	40.6
323.21637	1.9
341.26944	0.6
397.17532	1.1
409.48422	0.5
451.22278	3.9
468.24930	66.5
469.19403	0.9
469.25323	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	469.1318
Annotation	Glochidionolactone F
Peak:m/z	Relative Intensity
57.03410	0.6
68.61532	0.3
73.02910	1.5
79.60849	0.4
82.16022	0.3
98.22668	0.7
127.28468	0.3
141.56041	0.3
158.69098	0.4
175.03696	1.6
185.04149	0.8
229.06822	0.8
245.22540	0.4
274.60370	0.4
317.08438	8.0
337.09036	1.1
437.10165	0.5
469.13187	100.0
470.13391	4.3
470.25482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
62.58405	0.4
69.03431	0.6
69.29455	0.4
70.41807	0.9
75.35437	0.4
83.86221	0.4
85.02899	0.6
86.28476	0.5
87.66757	0.4
91.05477	0.6
95.08533	0.5
98.23348	0.6
111.04401	0.5
137.02310	0.9
139.03879	0.4
160.42258	0.4
175.03656	1.6
185.04178	1.6
214.73157	0.4
217.04735	0.5
229.06798	1.0
232.06999	1.3
282.08212	0.5
317.04672	0.7
317.08453	12.9
328.13477	0.5
337.08752	1.6
469.12930	100.0
470.13162	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20530	0.6
57.03428	0.9
65.58395	0.6
69.03423	0.7
69.23081	4.1
71.04983	2.0
81.07052	0.9
85.02903	2.6
85.50565	0.7
90.62382	0.7
91.05457	0.8
95.08593	1.1
97.69640	0.7
98.23494	0.8
107.08588	1.6
119.08607	0.7
137.02330	0.9
139.03871	1.9
143.03200	0.8
153.01842	5.3
154.02144	1.9
155.02248	1.3
167.03285	0.7
175.03656	15.9
177.12747	1.0
195.02988	0.7
217.15918	1.2
229.06824	1.7
235.16901	1.6
253.17920	1.1
263.05832	0.7
317.08426	84.0
318.08749	2.3
324.10571	2.3
364.02856	0.7
379.39658	0.7
469.13126	100.0
470.16464	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.168
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
56.96566	2.2
65.98949	0.6
69.23417	2.1
71.04980	0.5
74.61351	0.4
85.02930	0.5
98.97583	6.2
110.97588	1.7
116.98596	2.9
121.02907	0.5
123.04501	0.5
124.43466	0.5
128.98645	1.0
134.99690	0.9
139.03943	0.6
147.04422	0.9
149.06046	0.7
153.05542	0.6
158.99719	0.5
163.03912	0.6
163.07523	0.7
165.05493	1.3
176.80038	0.5
177.00705	0.6
177.05627	0.5
191.03358	0.6
191.10938	0.4
191.57513	0.5
193.05025	0.6
195.02943	0.5
197.04524	0.7
205.05008	0.5
219.01797	1.9
233.04616	0.7
237.02821	3.0
247.09996	0.5
251.05531	1.5
263.05505	0.6
263.09821	0.5
265.11148	1.6
277.06799	0.8
283.12170	0.8
289.11237	1.4
291.08386	20.2
292.09030	1.1
307.11813	7.2
325.13226	0.8
409.15451	11.3
427.16650	2.2
454.14493	1.2
469.16837	100.0
469.23898	6.5
470.17075	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	469.1681
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
50.41220	0.4
54.04550	0.4
54.55269	0.4
69.34879	1.5
75.81221	0.4
79.63203	0.3
82.03937	0.7
83.01088	0.9
84.01865	1.4
87.29048	0.4
94.20518	0.3
95.01069	3.5
96.01872	1.5
98.22707	0.7
103.96190	0.4
112.01350	1.7
113.02121	4.0
125.35532	0.4
126.02879	0.7
151.11203	0.4
157.04727	1.2
167.03210	0.5
185.04205	5.9
187.13255	0.5
201.03690	2.1
202.04448	0.6
202.06160	0.5
203.05270	0.7
217.04712	1.9
232.07050	17.9
233.07698	1.0
243.08510	0.6
259.07803	2.3
275.08923	1.6
307.11508	0.4
438.14993	1.9
439.15540	1.7
469.16806	100.0
470.17172	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	469.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08191	2.6
73.02936	0.4
81.03416	0.4
81.07057	0.8
85.06545	0.5
95.05000	0.5
98.09660	0.5
100.11260	0.6
123.04445	2.5
130.12216	0.4
132.95979	0.5
137.02328	0.4
137.06010	0.7
139.03993	0.4
147.84557	0.4
149.05905	0.6
159.10097	0.5
163.07520	1.2
183.06459	0.5
189.09128	0.4
193.83496	0.4
200.73024	0.4
202.05067	0.4
210.14917	0.4
235.06133	0.5
307.08130	0.9
307.11496	1.3
379.55762	0.4
415.21371	0.4
433.32666	0.4
444.61166	0.3
451.32889	1.5
469.16794	100.0
470.17181	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	469.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05512	0.9
67.05505	1.8
69.03434	2.0
69.07069	1.8
70.62610	0.6
71.05006	0.9
79.05503	1.6
79.66956	0.5
80.13714	0.4
81.03423	2.1
81.07072	4.0
83.05022	0.6
83.08614	0.7
85.02906	2.8
87.00837	0.8
87.04563	0.5
91.05489	0.8
93.07046	2.9
95.05013	0.7
95.08604	3.7
97.02898	1.6
97.10178	0.8
99.04482	0.6
105.01903	0.9
105.07050	2.4
107.08619	2.2
109.02902	1.4
109.10174	2.4
111.04440	1.3
119.08568	3.3
121.10153	2.1
123.11716	1.4
125.06056	0.6
127.03931	2.1
127.11189	1.0
128.82474	0.5
131.08629	0.7
133.10132	1.4
135.11673	0.9
137.13222	0.7
139.03906	0.7
145.10129	1.5
147.11737	1.4
149.13289	0.5
155.08464	0.6
157.10161	1.5
159.11702	1.7
161.13315	1.5
163.11214	0.7
171.11621	0.5
173.13266	0.7
185.79483	0.4
202.19850	0.5
203.17990	2.8
217.19414	0.5
221.11469	12.8
221.19055	1.3
227.05223	1.5
231.05135	0.5
271.04349	2.6
278.85992	0.5
287.03531	0.7
289.05255	2.2
293.54050	0.5
311.20178	0.7
383.16739	4.0
424.30814	0.6
425.17776	23.0
425.30618	1.0
426.18301	1.0
437.21890	0.6
437.52298	0.5
468.33282	0.6
469.16766	100.0
469.23923	21.9
470.17175	6.4
470.23917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03717	1.2
53.03935	6.4
55.01873	4.8
55.05516	5.4
57.03429	4.1
60.41863	1.1
61.02932	3.2
64.08706	1.2
67.02287	1.2
67.05518	6.7
68.99802	3.6
69.03429	58.5
69.07047	1.8
69.19621	6.5
71.04977	4.1
73.02925	3.9
78.22942	1.2
79.05492	7.5
79.48383	1.4
81.03418	43.5
81.07047	7.0
83.04986	1.8
85.02910	34.5
85.06525	1.3
87.00835	16.4
91.05487	6.5
93.07031	6.1
95.04982	5.7
95.08613	4.4
97.02884	12.9
99.04453	10.6
103.03959	3.7
105.01859	9.3
105.07045	7.2
106.30257	1.2
107.04982	1.4
107.08601	5.8
109.02876	23.9
109.06515	4.5
109.10164	3.8
111.04436	2.2
111.20663	1.3
115.03929	2.7
115.05477	3.0
117.01862	2.3
117.07020	4.8
119.08593	4.6
121.06509	9.1
121.10148	4.4
122.03667	4.0
123.04459	2.5
127.03925	27.2
128.06248	7.4
129.01831	2.0
129.07010	5.5
131.08554	3.0
133.10149	4.3
135.11682	1.9
137.06006	4.1
137.11150	1.1
138.06746	7.1
139.03883	1.6
141.06989	2.6
143.08563	3.6
145.05002	7.4
145.06479	12.3
145.10121	3.1
147.02934	1.9
147.04395	2.2
147.08037	1.5
147.11684	4.2
151.07549	44.3
155.07048	6.5
157.06471	7.5
157.10088	2.0
158.07240	3.8
159.02927	7.9
159.08031	4.1
159.09239	1.6
159.11725	2.4
160.08817	3.8
161.05997	11.9
161.09563	1.7
162.06764	2.2
163.07552	3.5
163.14844	2.2
165.05487	24.2
165.06839	1.3
165.09143	2.3
171.08012	4.0
171.11708	1.8
172.08829	17.9
173.06007	16.0
173.09560	1.9
174.06807	3.2
175.07544	8.6
175.14778	2.5
176.08330	3.0
177.09094	2.8
179.10692	2.5
185.06009	2.4
187.07568	3.6
187.14803	1.6
188.08321	37.6
189.04002	1.7
189.09091	7.0
189.16420	3.1
190.09853	2.0
191.07050	7.3
191.10695	8.7
191.17905	2.3
192.07787	1.5
193.12299	1.8
199.07611	2.1
201.09160	2.0
202.09999	4.1
203.10670	98.1
203.17981	5.8
204.07848	2.0
204.10959	2.4
205.08620	1.9
205.12209	2.6
211.07477	2.2
213.03862	3.0
215.10696	7.6
217.12160	9.5
219.10210	4.9
221.11726	100.0
221.18922	2.9
222.12198	4.0
222.65720	1.5
225.09129	3.7
226.09874	2.2
227.10777	3.9
229.12215	1.7
230.09572	1.9
231.05003	5.5
231.10149	10.3
233.11775	5.4
239.10683	1.9
241.12239	3.5
243.10123	7.2
245.11703	27.3
255.10150	2.6
257.11725	5.3
262.82315	1.3
269.11713	5.4
283.13403	3.0
287.12814	5.9
311.12860	9.6
312.20331	1.3
329.13901	3.2
432.06241	1.3
433.14975	2.1
451.23511	1.8
469.18240	2.7
469.24356	31.0
469.33496	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	469.2046
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
55.05507	0.5
56.52092	0.2
67.05497	0.4
69.03421	0.3
72.44714	0.2
72.61407	0.3
79.05471	0.3
81.07075	0.3
85.02895	0.3
91.05492	1.1
93.07050	2.8
95.08607	1.0
100.11233	0.3
105.04494	0.3
105.07024	0.4
107.08597	2.6
119.08598	0.4
123.08083	0.5
127.03696	1.4
135.11710	1.0
139.03889	0.6
141.05251	0.4
141.09071	0.4
146.84506	0.3
151.07556	0.4
155.93150	0.2
169.04739	1.4
173.04333	0.4
177.05565	0.3
203.05286	1.0
207.89867	0.3
209.04474	0.6
212.06648	0.4
215.05280	0.4
229.06731	0.3
256.09192	0.3
275.07394	1.0
301.08945	0.8
313.71948	0.3
317.08386	0.8
325.23560	0.3
333.07986	2.0
335.09482	18.4
336.10193	0.3
337.16226	2.1
341.42300	0.3
468.36020	0.5
469.20438	100.0
470.14557	0.5
470.20804	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	469.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64817	0.3
69.00121	0.3
69.03423	0.3
72.08207	0.3
75.81044	0.3
79.05470	0.4
81.07062	0.6
84.58319	0.3
85.02967	0.6
91.05483	1.1
93.07045	2.7
95.08601	0.3
105.07007	0.7
107.08604	3.6
120.48428	0.3
127.03716	1.3
135.11714	1.2
139.03825	0.4
141.05276	0.4
169.04736	0.9
173.04224	0.4
175.07562	0.4
189.09109	0.3
201.09181	0.6
245.11687	0.3
263.13110	0.5
270.08612	0.3
272.43658	0.3
275.07422	0.7
301.09088	0.7
315.12595	0.3
317.08411	0.8
333.07919	1.3
335.09470	12.4
337.16284	1.5
469.20428	100.0
470.20728	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64817	0.3
69.00121	0.3
69.03423	0.3
72.08207	0.3
75.81044	0.3
79.05470	0.4
81.07062	0.6
84.58319	0.3
85.02967	0.6
91.05483	1.1
93.07045	2.7
95.08601	0.3
105.07007	0.7
107.08604	3.6
120.48428	0.3
127.03716	1.3
135.11714	1.2
139.03825	0.4
141.05276	0.4
169.04736	0.9
173.04224	0.4
175.07562	0.4
189.09109	0.3
201.09181	0.6
245.11687	0.3
263.13110	0.5
270.08612	0.3
272.43658	0.3
275.07422	0.7
301.09088	0.7
315.12595	0.3
317.08411	0.8
333.07919	1.3
335.09470	12.4
337.16284	1.5
469.20428	100.0
470.20728	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39915	0.4
67.05495	0.9
69.03431	0.4
69.07063	0.6
71.04987	0.8
71.43017	0.5
79.05495	0.6
81.07052	1.0
83.04945	0.3
85.02926	0.9
91.05453	0.5
93.07050	0.6
95.08598	0.7
95.40273	0.5
97.02903	0.4
98.97594	0.8
105.07027	0.4
107.08614	0.5
123.08048	0.4
126.93906	0.4
127.03918	0.5
164.72925	0.4
171.79521	0.4
195.02921	0.4
203.05307	1.1
221.15445	0.5
245.04276	0.5
249.14682	0.7
251.05568	0.4
256.40314	0.4
256.62650	0.4
289.17712	5.2
289.20560	0.5
293.06396	0.5
307.15140	1.5
307.18887	4.4
358.60495	0.4
364.26712	0.4
369.18826	4.0
409.15558	1.3
411.19901	5.0
469.24136	100.0
470.24570	5.8
474.04282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01870	4.7
55.05499	6.7
55.76720	1.7
57.03437	4.4
59.72818	1.5
61.02924	4.4
63.01115	1.5
67.05504	16.0
68.99798	3.8
69.03425	14.9
69.07073	8.1
71.04972	4.0
73.02938	1.8
76.62635	1.6
79.05496	9.7
81.03428	15.1
81.06626	2.5
81.07060	27.4
82.82457	1.7
83.04981	2.0
83.08617	3.6
85.02908	27.2
87.00838	15.5
91.05482	12.2
93.07049	15.1
95.04967	4.6
95.08607	37.9
97.02898	13.1
97.06545	5.4
97.10164	3.2
99.04458	5.1
103.03904	1.9
105.01878	16.8
105.07034	31.8
105.77019	1.6
107.08598	24.8
109.02880	10.7
109.10163	22.0
111.08102	9.2
117.06958	1.6
119.08588	23.0
121.10160	17.0
123.04498	2.0
123.08040	4.0
123.11740	11.8
127.03909	22.2
129.01828	3.4
131.08582	3.8
133.10135	30.4
135.11694	7.4
137.09651	2.6
137.13237	2.1
139.93477	1.6
143.08623	2.8
145.04941	4.8
145.10135	6.9
147.02858	3.2
147.11693	35.9
149.13239	4.8
157.10086	3.7
159.02957	2.5
159.11696	5.6
161.13255	12.8
163.14799	3.7
165.12827	1.8
167.07027	2.3
171.11624	2.2
173.13286	2.1
175.14828	14.2
177.12724	2.5
177.16403	2.0
181.10138	1.8
187.14967	2.6
189.16307	4.2
201.16330	4.5
203.17957	100.0
204.18303	3.7
205.16003	1.8
213.03853	1.8
213.16388	2.1
221.18971	33.8
222.19456	2.1
231.05060	4.9
231.17296	2.0
311.20053	3.0
329.21027	2.6
347.21936	1.8
365.23309	2.3
415.20889	2.3
433.22137	3.4
451.23178	7.8
469.24121	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.1
55.01864	10.8
55.05509	18.0
57.03427	9.1
57.07061	7.8
60.95094	2.5
61.02913	5.2
65.03928	3.8
67.05503	31.4
68.99790	6.5
69.03431	39.6
69.07068	29.6
69.23643	14.9
71.04981	7.9
71.08610	3.0
73.02924	7.7
79.05496	23.6
81.03419	35.4
81.07056	63.8
83.04974	6.0
83.08636	12.6
85.02402	5.0
85.02905	78.4
85.22637	2.2
87.00824	39.5
91.05471	38.4
93.07036	53.1
95.04948	8.3
95.08604	88.4
95.09216	4.6
97.02896	29.6
97.10167	15.1
98.22623	2.8
99.04480	12.3
105.01871	27.1
105.07029	76.1
107.04953	3.5
107.07919	4.6
107.08586	50.0
109.02860	35.5
109.10155	55.9
111.08101	4.3
111.40142	2.6
115.03889	5.0
117.01815	3.2
117.07006	8.8
119.08582	54.9
121.10129	57.3
123.07961	4.0
123.11711	27.1
124.27208	2.8
126.68443	2.7
127.03910	58.1
129.01846	3.2
129.05455	3.0
129.07088	3.6
130.39635	3.0
131.08569	11.6
133.10129	44.5
135.08035	4.6
135.11697	24.3
137.13248	6.3
143.08533	3.5
145.04941	18.4
145.10141	15.4
147.02901	3.3
147.11671	79.8
148.12137	2.6
149.13264	24.1
155.08437	3.2
157.10081	4.3
159.02882	22.4
159.11691	11.3
161.09631	4.3
161.13251	21.5
163.14827	7.0
165.12793	13.2
171.11661	2.5
173.13200	7.3
175.11153	2.5
175.14775	7.1
177.12825	3.0
177.16365	8.4
181.10106	3.5
183.11649	4.2
185.13239	2.8
189.03940	3.1
189.16380	5.5
197.13298	2.7
200.41505	2.4
201.16389	10.2
203.17957	100.0
204.18292	3.3
205.19533	18.5
213.16342	4.1
215.17885	4.3
219.17412	5.7
221.18999	62.2
231.05032	11.8
231.17473	3.5
233.19099	5.2
248.40224	2.7
263.20038	2.7
287.20050	3.4
311.19864	8.1
329.21158	8.7
433.22073	6.2
451.22952	6.8
469.10931	8.2
469.24237	8.6
485.77893	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	469.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
57.07088	0.7
59.04857	2.4
60.05649	9.4
61.02922	0.9
61.37314	0.6
67.05489	2.4
68.05023	1.4
69.03413	1.9
69.07068	0.9
70.06590	59.7
71.04993	5.6
72.08143	2.7
74.12593	0.6
79.05489	1.9
80.05013	1.9
81.03418	1.0
81.07050	4.2
82.06567	1.0
83.08606	0.7
85.02904	2.3
86.07177	3.4
87.00833	1.3
87.07967	6.6
91.05473	2.5
93.07047	2.1
95.06086	3.4
95.08602	3.1
97.06538	0.8
97.07664	1.3
98.07690	0.7
99.04481	1.1
105.07027	3.3
107.08596	1.9
109.10139	1.7
110.06017	4.2
111.04440	0.9
112.03947	1.0
112.08709	4.0
113.07146	1.8
114.10294	1.6
116.07106	2.5
119.08593	2.1
121.10159	1.8
123.11700	1.5
124.03973	1.0
127.03914	2.5
130.09758	15.9
131.08585	1.2
133.10127	1.8
135.11665	1.2
138.05525	1.1
140.03435	2.4
140.08180	1.0
145.10144	1.2
147.11710	1.9
152.07060	1.9
153.88190	0.6
158.09276	2.0
159.11703	0.8
160.45621	0.7
161.13216	1.4
168.06590	4.2
175.11913	2.5
192.06563	2.0
201.16487	0.8
203.17841	3.9
221.19073	1.1
221.40552	0.9
242.07712	1.2
248.20163	1.4
254.17635	1.3
273.09930	0.7
276.19644	5.1
278.21194	0.9
298.16626	2.9
304.19077	2.1
306.20697	5.5
312.18127	1.9
332.18524	2.8
333.21701	0.9
350.19678	6.0
351.23135	0.8
364.21130	13.1
365.21490	1.2
375.23630	0.9
378.19156	1.9
410.21747	2.4
452.23911	2.3
469.11856	5.2
469.26550	100.0
470.26840	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	469.2951
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
53.03928	0.4
55.01854	0.2
55.05491	0.7
57.07058	0.3
57.51591	0.2
65.03924	0.4
67.05510	1.4
68.21052	0.2
68.99804	0.3
69.07050	0.8
69.21832	0.7
69.22236	0.3
69.87622	0.2
71.08627	0.2
79.05483	1.1
81.07057	1.2
83.08593	0.4
89.05996	0.9
91.04945	0.3
91.05477	4.3
93.07030	0.9
95.04980	1.2
95.08597	0.8
97.06509	0.8
103.05464	0.7
105.03412	0.2
105.04514	0.4
105.07027	1.5
106.04199	0.2
107.04943	1.4
107.08597	0.2
108.05721	0.3
108.16312	0.2
109.06497	0.9
110.03643	0.2
111.04442	0.4
115.05439	1.6
116.06245	0.4
117.07025	2.8
119.04926	0.7
119.06015	0.2
119.08559	0.6
120.05643	0.2
121.06499	13.6
122.06868	0.3
123.04428	1.9
123.08051	0.4
125.05989	11.4
126.06314	0.3
129.07004	0.5
131.04919	0.8
131.08562	0.3
132.05695	0.3
133.06490	1.1
133.08614	0.4
133.10178	0.2
134.07266	1.0
135.04434	0.4
135.08035	2.2
137.05965	3.0
139.03859	0.3
139.07532	0.9
144.05707	0.7
145.06488	1.8
146.07265	4.9
147.04427	0.9
147.08049	4.9
148.05247	0.3
148.08775	0.2
149.05965	0.8
149.07048	0.2
149.08466	0.3
149.09595	2.3
151.07538	12.5
152.07974	0.2
153.05461	12.5
153.09048	0.5
154.05823	0.2
158.07274	0.4
159.08035	1.3
160.05125	0.2
160.08861	1.9
161.05977	2.1
161.09596	0.9
162.06758	3.4
163.07541	2.4
163.11148	0.3
165.05435	0.3
165.09114	4.5
167.07063	0.8
173.09602	0.4
174.06752	0.5
174.10298	0.2
175.07526	2.3
176.08366	2.5
177.09099	100.0
178.09447	3.3
179.07060	1.4
179.10646	0.2
181.08571	0.3
184.07332	0.5
188.08389	0.4
189.09094	3.4
190.09854	0.9
191.10654	16.6
192.11040	0.6
193.08577	1.0
201.08975	0.3
203.10641	1.1
205.12219	2.0
217.12277	0.4
218.66014	0.2
219.13815	0.3
241.08647	0.2
257.07840	0.2
271.09772	0.3
283.17566	0.3
284.17639	0.2
285.11194	0.2
329.24612	0.8
423.28903	0.2
437.26855	0.5
451.28433	1.6
469.29474	58.1
470.29822	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	469.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31180	0.6
55.01861	0.7
55.05499	1.5
65.03952	1.0
67.05511	3.4
68.99799	5.4
69.07045	1.6
69.29404	2.9
72.69381	0.7
74.10167	0.5
78.93657	0.6
79.05484	2.5
80.94843	0.8
81.07062	8.7
82.04180	0.6
83.08595	0.8
91.05486	2.3
93.07041	3.4
95.04957	2.7
95.08647	2.7
97.06522	1.8
97.10195	0.6
98.23517	1.0
100.10632	0.5
103.05460	2.2
105.07022	1.2
107.04946	2.7
107.08549	0.6
109.06512	1.4
109.10155	1.0
110.03612	0.7
111.04438	1.1
116.23238	0.6
117.06966	0.7
119.08583	0.5
121.06500	7.1
121.10136	0.7
123.04437	12.5
125.05995	26.9
131.04971	0.9
133.06506	1.1
134.98219	1.7
135.08131	2.7
135.83572	0.6
137.05988	14.1
139.03900	1.0
145.06487	0.8
147.04417	2.0
149.05986	100.0
150.06360	1.8
150.64709	0.6
151.07590	0.8
153.05478	30.6
160.05388	0.7
161.05997	4.1
163.07558	25.2
167.07118	0.6
175.07614	2.7
177.09145	4.7
179.07063	2.3
189.09125	0.9
193.08643	2.0
203.10672	0.9
217.12273	0.8
233.78920	0.6
235.00133	0.6
243.06599	0.7
329.24820	1.0
335.25912	0.8
395.56665	0.6
437.27103	1.4
451.28171	3.5
467.18857	0.7
469.24112	1.6
469.29550	42.6
470.29758	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	469.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05509	2.3
57.07075	4.4
65.03933	2.1
67.05502	4.3
69.07069	1.8
69.80987	1.0
69.81319	2.5
71.08630	3.1
74.36676	0.8
77.03915	1.3
79.05473	5.3
81.07063	5.7
83.01354	7.3
85.10169	1.5
89.06024	5.7
91.05475	6.6
93.07041	3.0
95.04945	1.9
95.08583	4.2
96.05717	1.6
98.23154	3.0
99.11662	0.9
105.05199	0.8
105.07036	2.8
107.04939	2.8
107.08562	1.3
109.06523	5.4
111.08073	2.2
117.07028	3.1
119.08562	2.3
121.06512	6.6
121.10156	0.9
123.08052	3.4
124.05199	6.1
125.05980	3.6
129.06999	1.7
131.08569	2.9
133.08594	3.4
133.10139	1.1
135.08075	5.1
137.05974	58.0
138.06326	1.0
139.07536	59.0
140.07820	1.2
145.06500	1.8
145.10123	1.0
147.08061	3.3
147.57346	0.8
148.05188	1.0
149.09628	6.1
151.07535	43.5
152.07843	1.1
152.90225	0.8
153.05470	4.8
155.07053	1.1
159.08075	3.8
161.06006	1.1
161.09610	2.8
162.06737	2.5
163.06194	1.8
163.07538	33.4
163.11157	1.3
167.07036	89.9
168.07411	2.2
175.07529	4.8
175.57362	1.0
177.09099	100.0
178.09438	3.9
181.08612	1.6
189.09123	3.9
191.10693	10.3
193.08614	4.1
203.10634	2.1
207.10184	11.2
217.12244	1.2
315.23044	2.4
328.29541	1.3
376.07813	1.0
437.26920	9.6
441.29987	5.4
451.28476	2.5
452.36725	3.0
466.29489	1.0
469.22952	1.5
469.29501	26.8
470.29843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3292
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
64.10642	2.1
69.09718	17.8
71.17872	2.5
72.04520	7.0
81.07047	2.9
89.06026	5.3
91.78541	2.5
98.30293	2.6
102.04729	2.9
107.08585	6.7
126.62105	2.8
153.09242	3.0
206.17044	2.5
270.89505	2.3
274.82245	2.8
307.89697	2.7
385.45282	2.4
425.33881	22.4
443.35025	56.1
469.32932	100.0
470.33429	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	469.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46976	22.3
59.45990	23.4
69.07058	30.9
69.75674	100.0
72.01044	24.9
78.40663	22.4
93.07016	52.8
95.08569	31.0
95.17747	25.5
105.07051	23.9
107.08596	55.2
115.28431	24.7
121.17187	23.1
121.28517	25.9
139.03879	54.1
151.99904	27.8
242.56801	27.5
276.21951	26.3
461.20834	26.6
469.36624	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20524	1.0
63.18946	1.3
65.03940	2.9
68.04285	1.3
69.03424	4.7
69.07077	1.2
69.30737	6.9
81.03417	3.9
85.02915	6.8
95.05000	1.3
97.02881	3.5
98.23448	2.9
98.97639	2.0
103.03951	4.8
107.04950	3.9
121.02862	100.0
122.03188	1.7
127.03915	2.0
131.59853	1.2
135.04416	3.1
137.05864	1.8
139.03885	36.6
140.04268	2.0
145.04994	3.3
153.05458	14.3
159.10199	3.6
159.11450	1.2
160.44765	1.2
167.07056	2.6
168.36870	1.5
171.06473	3.3
177.05479	5.6
181.04930	7.4
191.07004	1.9
195.06555	10.7
204.72879	1.4
219.06535	4.9
223.06096	1.4
237.07632	3.6
243.06580	1.4
260.19614	1.3
261.07556	11.3
265.07111	2.8
279.08612	10.7
283.08188	2.4
296.08838	1.5
312.02567	1.3
318.69931	1.4
411.13403	1.6
470.13693	4.0
470.24289	5.9
471.20218	2.5
471.25580	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50470	0.3
53.03948	1.5
55.01865	1.8
57.03426	0.5
59.34705	0.3
61.02906	1.3
67.05495	0.9
68.99781	0.4
69.03426	4.4
69.07063	0.3
71.04991	19.6
71.43876	0.3
71.44346	0.3
72.05318	0.4
73.02906	1.7
81.02962	0.5
81.03416	6.4
81.06982	0.3
85.02901	13.6
85.03419	0.7
86.09685	0.6
87.00298	0.4
87.00826	5.8
87.04443	0.4
91.03924	0.4
95.04967	0.8
97.02892	7.0
99.04472	2.8
102.82157	0.3
104.10745	0.7
105.01861	3.5
109.02873	5.1
113.05999	21.9
117.01842	0.7
127.03031	0.6
127.03912	7.0
127.04851	0.4
127.07559	1.0
129.01851	0.7
131.07033	15.3
136.07574	0.3
145.04971	4.5
145.08589	100.0
146.08939	1.6
147.02892	0.5
155.06960	0.5
159.02863	3.5
173.08087	16.6
184.07309	1.1
205.10704	27.1
206.11066	0.8
231.05038	1.2
290.17947	0.5
470.25409	1.6
471.08926	0.7
471.22040	1.0
497.56247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
58.99586	2.2
59.04994	1.0
62.40199	0.7
63.24782	0.7
67.05499	2.2
69.03415	3.3
69.13943	1.6
69.14338	4.5
71.04993	9.7
74.00652	1.8
79.05497	5.2
81.07047	11.2
83.04975	2.1
85.01132	1.2
85.02900	4.0
85.06541	0.8
86.00645	5.8
87.02679	1.8
88.02220	8.4
88.03982	6.9
93.07047	2.2
95.04943	1.3
95.08620	1.0
97.01092	1.5
97.06526	1.5
99.02663	2.9
99.08096	8.0
101.04227	1.1
102.03732	1.5
105.00060	1.0
105.07028	2.1
106.10367	0.8
107.08587	6.4
109.06505	2.8
109.10153	7.0
111.02666	1.7
113.00599	0.8
113.04215	4.1
114.03735	1.5
115.02143	6.9
121.10146	2.4
122.02711	2.1
123.11696	7.4
125.09646	2.3
127.11195	3.7
128.05315	12.3
129.03683	2.7
132.01152	6.7
133.10130	3.1
134.02708	3.5
136.06215	1.2
139.03941	1.0
139.05783	0.9
139.11148	2.8
140.05292	13.1
141.03674	10.3
149.09605	1.0
151.11171	13.8
153.12674	1.6
155.10678	1.0
165.07297	1.5
169.12231	9.5
174.05826	17.5
175.04282	2.3
183.08394	3.0
186.05835	31.7
187.04254	13.3
201.09462	8.5
209.10016	1.8
226.12589	8.4
227.11017	2.7
254.11987	2.9
255.10498	2.0
272.13141	100.0
273.11282	1.7
273.13812	2.0
287.17032	0.9
290.14197	29.6
291.14368	0.9
308.15244	91.5
309.15445	2.5
434.18094	1.0
452.19421	2.2
470.20627	12.2
471.21344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.9
57.07069	5.6
59.04997	5.8
67.05497	19.9
69.03420	16.7
69.07066	13.5
70.05534	12.7
70.06590	8.9
71.04984	33.0
73.06529	5.6
73.70295	4.2
79.05476	5.7
81.07050	21.3
83.04969	13.0
83.08628	6.5
85.02906	24.9
85.06537	8.3
91.05470	17.5
93.07040	28.9
95.04959	27.5
95.08598	21.6
97.02861	12.6
97.06557	6.6
97.10181	11.6
100.11268	10.3
105.07019	31.9
107.08588	28.6
109.02858	6.1
109.10156	28.0
119.08583	23.4
121.02872	8.3
121.10148	70.8
121.23025	4.5
123.11700	7.2
125.09640	38.0
127.03876	7.9
127.11199	23.6
131.08556	6.3
133.06503	5.1
133.10132	86.6
135.11708	7.1
137.02344	22.8
138.02837	4.7
138.05493	13.1
139.03874	10.7
143.10672	100.0
144.11021	4.7
145.10110	12.1
146.05994	8.9
147.11697	14.4
151.11194	23.4
153.01805	12.1
159.11690	16.1
166.04985	15.1
174.05519	9.0
177.57846	4.5
181.05040	5.8
189.16425	29.1
201.16350	10.5
207.17500	11.4
210.14957	5.8
219.17513	43.6
237.18564	36.9
255.19562	42.9
273.20578	23.1
291.21643	6.6
308.11252	7.1
309.16583	10.5
369.03549	5.3
399.23798	8.1
427.15994	6.1
451.83713	5.2
470.13474	41.4
470.19498	7.2
471.17163	33.6
471.22119	28.3
471.35400	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	470.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.2
67.05502	15.8
69.03425	6.6
69.07058	13.4
69.73693	20.1
70.06596	12.0
71.02707	4.7
71.04990	16.8
72.08150	13.6
78.90119	5.1
79.05460	9.8
81.03428	5.7
81.07040	32.7
81.07455	4.7
83.08630	9.2
85.02883	10.3
85.06557	10.7
86.09703	14.6
86.59994	5.1
91.05488	20.6
93.07044	42.2
95.04946	11.6
95.08609	16.5
97.06503	7.1
99.08066	6.2
100.11246	18.8
102.15166	4.8
105.07029	33.5
107.08580	38.5
109.10153	37.2
111.08105	6.0
119.08568	19.0
121.02886	7.2
121.10137	100.0
123.11712	10.9
125.09602	32.8
127.03893	7.3
127.11198	17.5
131.08498	5.9
133.10132	87.7
135.11674	16.8
139.03842	7.3
143.10709	78.0
143.11758	10.5
145.10120	9.1
147.11729	11.2
149.13251	17.8
151.11189	13.7
159.11703	15.7
161.13280	13.3
163.11101	4.9
171.11295	17.7
187.13304	8.9
189.16396	37.8
201.16515	11.9
207.17448	22.4
209.04468	7.0
219.17465	46.1
225.18596	5.9
237.18489	51.6
242.14970	18.6
255.15836	6.4
255.19556	59.2
273.20566	33.3
291.21625	7.1
325.03912	6.1
452.32693	6.0
470.34082	6.4
471.35342	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	470.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38019	2.2
55.05503	6.5
60.27392	2.5
63.61141	2.4
66.48546	2.5
67.05495	6.1
69.50649	2.9
79.05493	5.3
81.07050	10.2
82.04530	2.6
83.08604	3.2
85.06553	2.7
87.31323	3.1
91.05485	3.1
93.07040	6.9
95.04932	2.5
95.08593	9.3
107.04958	2.5
108.75333	2.6
109.02891	4.0
117.06980	3.0
121.10162	3.5
123.04426	6.5
123.08100	3.6
125.05994	12.0
135.11797	2.5
137.05948	9.7
139.07552	10.4
151.07549	6.0
152.04634	4.6
153.05458	18.8
154.06268	3.1
163.07559	5.4
166.06317	4.1
167.07048	17.2
168.07793	15.6
169.04988	35.0
169.08525	3.4
177.09103	7.0
178.09479	3.4
181.08577	37.0
182.05698	3.7
183.06534	21.2
184.07304	100.0
193.08556	4.2
194.41780	3.0
196.07294	10.0
197.08057	11.5
198.08867	15.0
199.09669	32.1
211.09663	38.2
266.38486	3.2
315.77063	2.5
357.24301	3.9
361.27515	4.1
371.25809	4.3
389.26773	5.0
403.28442	9.9
404.29254	2.8
420.28494	3.0
421.29596	4.2
422.30219	8.3
435.31088	26.8
438.29532	5.1
439.24838	3.5
453.32123	42.8
470.30023	2.9
471.27512	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	470.348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97666	0.9
55.05457	0.9
57.07076	85.0
59.04998	5.5
65.12386	1.0
69.03419	2.9
69.07068	1.1
69.33925	3.8
79.03745	1.1
79.05485	1.8
81.07062	1.8
87.04469	100.0
89.06028	23.2
91.05459	5.1
93.07044	3.2
95.05000	1.1
95.08608	1.2
98.23464	2.1
103.05492	1.4
104.76275	1.0
105.07030	3.5
107.04932	1.1
109.65780	1.0
117.07028	2.1
119.04951	3.5
119.08605	7.8
121.06510	19.0
121.10233	1.0
123.08112	1.2
125.06011	1.1
131.07043	50.4
133.08594	17.5
133.10092	1.6
135.08052	3.9
137.05931	1.2
143.08580	1.2
145.06519	1.6
145.10056	1.1
147.08052	10.5
148.80606	1.2
149.09613	18.5
161.09634	1.4
163.07568	2.3
163.11240	3.4
167.10638	1.5
173.09657	3.5
175.09697	26.4
175.11208	4.1
189.09103	2.4
189.12817	1.3
191.10658	6.9
193.10719	1.5
193.12267	11.6
217.12332	2.0
233.18791	2.1
235.13307	16.8
237.14981	2.1
247.20517	1.2
255.15906	47.3
256.16171	1.8
259.20569	18.5
261.14874	2.4
261.22034	1.2
275.23721	7.1
279.15967	3.3
280.66504	0.9
303.23178	11.9
323.18546	12.9
339.83627	1.0
344.31299	1.0
470.34180	4.9
471.24768	1.1
471.34830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52478	1.2
55.05511	3.5
55.44198	1.4
57.07078	100.0
69.03423	1.4
69.07066	4.1
69.11261	8.3
71.08643	1.9
79.05473	1.8
81.07059	1.8
83.08611	2.3
87.04467	18.6
89.06023	10.3
91.05492	7.7
93.07055	3.2
95.04997	2.8
95.08596	3.0
95.78183	1.2
98.22711	3.3
99.08083	1.7
105.07045	4.5
107.08581	6.7
109.06503	1.4
109.10175	2.1
117.07007	1.3
118.07811	9.2
119.04932	3.4
119.08588	7.5
121.06506	18.0
121.10159	1.8
130.14143	1.5
131.07033	13.1
133.08595	5.6
133.10147	1.4
135.08072	4.4
135.11696	2.9
147.08040	12.5
149.09624	8.0
149.13289	1.2
150.06754	4.8
153.40938	1.3
159.11620	1.9
163.11121	3.0
165.09119	3.3
167.10553	1.8
173.09616	1.6
175.09656	5.5
175.11090	1.3
177.12749	2.6
191.10648	4.9
193.12282	2.9
211.13264	4.1
220.06992	1.4
231.17174	1.7
233.15437	1.6
233.18996	31.7
235.13213	3.1
255.15912	8.9
259.20618	6.3
275.23730	3.5
277.21619	23.7
280.41888	1.4
298.67755	1.2
301.52167	1.3
303.23016	2.7
321.24399	6.5
323.18573	1.8
470.29214	5.4
470.34192	10.1
471.34641	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	471.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07688	0.8
75.63194	0.9
199.72108	1.0
205.75058	1.0
317.08441	1.7
325.08908	1.9
339.10385	1.7
384.82224	0.9
385.57449	1.0
388.23727	1.0
471.14825	100.0
472.14920	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	471.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45227	0.5
81.07038	0.6
83.08614	0.5
92.68194	0.5
100.11246	1.4
109.02921	0.5
115.03787	0.5
125.05994	0.5
138.05518	0.5
139.03911	6.2
151.03931	0.8
163.07549	0.5
167.03384	1.7
182.15256	0.6
210.14830	0.5
223.13094	0.7
239.07411	0.5
295.11511	9.7
309.16495	0.5
337.12494	2.0
372.10327	0.6
427.15588	2.9
444.21191	0.5
453.13422	1.3
453.21338	0.7
469.49606	0.5
471.14670	100.0
471.21347	8.7
471.34811	2.2
472.14941	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	471.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45227	0.5
81.07038	0.6
83.08614	0.5
92.68194	0.5
100.11246	1.4
109.02921	0.5
115.03787	0.5
125.05994	0.5
138.05518	0.5
139.03911	6.2
151.03931	0.8
163.07549	0.5
167.03384	1.7
182.15256	0.6
210.14830	0.5
223.13094	0.7
239.07411	0.5
295.11511	9.7
309.16495	0.5
337.12494	2.0
372.10327	0.6
427.15588	2.9
444.21191	0.5
453.13422	1.3
453.21338	0.7
469.49606	0.5
471.14670	100.0
471.21347	8.7
471.34811	2.2
472.14941	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	471.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
57.07075	0.7
67.05515	2.0
69.07065	1.9
69.34750	1.6
69.74812	0.4
79.05488	1.8
81.07050	5.0
83.08624	0.9
85.02888	0.5
91.05473	2.6
93.07040	5.7
95.04974	0.7
95.08596	8.8
97.10149	0.6
105.07033	6.5
107.08591	6.8
109.10158	4.8
117.07004	1.8
119.08577	6.8
121.10140	4.9
123.11691	2.1
128.06166	0.6
129.06992	1.2
130.07765	0.5
131.08574	5.4
131.50684	0.5
133.10129	4.5
135.08005	0.6
135.11687	5.1
137.13232	1.4
138.00638	0.4
139.03912	2.4
142.07782	0.5
143.08559	2.3
145.10124	7.4
147.08060	1.3
147.11678	2.6
149.13255	2.6
151.04001	0.9
155.16084	0.4
156.09308	0.6
157.10121	2.9
159.11688	3.3
161.09624	1.9
161.13205	2.0
163.14810	1.6
169.10199	0.7
171.11740	1.5
173.09511	0.6
173.13239	3.4
175.11195	1.0
175.14819	1.3
183.11685	1.0
185.04193	0.5
185.13269	2.7
187.14804	3.6
189.09114	0.9
189.12744	0.9
189.16331	2.1
191.17938	18.4
199.14804	4.7
201.12753	1.0
201.16377	4.5
203.14311	3.2
203.17918	3.8
205.12123	0.9
205.19545	1.4
215.18053	0.6
217.15933	3.5
217.19444	2.1
219.13786	3.6
223.13037	2.6
227.05278	1.2
227.14366	0.5
227.18062	0.5
231.13901	0.7
233.15331	1.2
233.40324	0.5
235.16936	1.1
245.06329	4.1
245.15323	2.2
249.14778	0.6
251.12512	0.5
263.16418	1.4
269.06244	0.6
287.07376	9.5
289.05322	0.6
297.07205	0.6
331.06342	5.4
385.18262	4.6
407.33008	1.8
423.32645	0.8
425.34103	1.1
427.19388	20.3
428.19522	0.9
432.69345	0.4
435.32367	1.0
441.34058	0.4
453.33539	2.3
471.18329	100.0
471.33453	5.0
472.18811	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	471.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36049	1.1
53.03947	2.7
54.32761	1.3
55.01865	4.8
56.70034	1.3
57.03437	1.7
57.07075	66.9
58.07393	1.4
60.58910	1.5
61.02917	3.3
62.20214	1.2
62.88585	1.3
69.03429	12.9
71.04991	2.6
73.02926	1.4
73.06797	1.3
74.38432	1.1
76.03053	1.5
81.03410	7.7
81.07056	1.7
82.42016	1.2
85.02901	32.1
85.06538	55.2
87.00826	11.3
89.98893	1.5
95.08617	2.0
97.02892	9.1
99.04465	3.8
102.94469	1.4
105.01870	8.1
105.07051	1.6
107.08596	2.2
109.02876	8.7
117.01933	1.5
119.08543	1.6
123.92480	1.3
124.71083	1.5
127.03924	16.8
129.01852	2.3
133.10091	1.9
145.04938	4.1
148.09186	1.4
151.07520	1.5
159.02919	5.8
159.11736	1.7
223.13284	100.0
224.13622	3.3
231.04996	2.1
265.14352	2.8
289.14337	2.1
453.33441	2.7
471.21719	8.3
471.34744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
60.85477	0.2
81.07065	0.5
98.22702	0.6
98.97582	2.3
116.98615	0.9
123.04434	0.8
137.05984	0.6
137.51932	0.2
158.99702	0.5
177.00748	0.4
178.67007	0.2
206.24669	0.2
219.01793	0.4
275.07254	0.9
292.82150	0.2
299.33820	0.2
333.10629	0.2
335.09482	3.9
339.17889	1.3
351.11273	0.4
442.73898	0.2
471.22018	100.0
472.22342	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	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
50.14463	0.4
62.15063	0.4
96.85189	0.4
114.73061	0.4
152.96783	0.5
187.07646	0.4
245.47112	0.4
275.07263	0.5
335.09592	2.7
471.21973	100.0
472.22342	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11916	0.3
66.71864	0.3
69.36041	1.3
81.07052	0.4
123.09941	0.3
139.03915	0.9
203.05310	1.0
206.38132	0.3
275.04340	0.3
275.07306	0.7
302.12811	0.4
335.09470	23.9
336.09857	0.5
337.07910	0.3
339.17374	0.3
439.05511	0.3
471.22000	100.0
472.22345	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	471.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01874	2.8
57.03439	1.9
61.02919	1.6
68.99804	0.5
69.03069	0.5
69.03429	6.4
69.32617	1.7
69.33018	0.8
71.04987	1.1
71.68245	0.3
73.02924	2.6
79.05486	0.5
81.03424	7.7
85.02906	22.4
85.06547	0.6
87.00832	10.7
90.70977	0.4
91.03951	0.8
95.04974	0.4
97.02264	0.6
97.02893	12.1
98.23457	0.6
99.04450	4.2
105.01871	13.4
105.03379	4.5
106.34202	0.3
108.04488	0.4
109.02870	7.3
109.03555	0.6
117.01850	0.9
120.18901	0.3
123.04439	0.8
127.03923	22.4
129.01839	0.7
129.05116	0.3
144.22415	0.4
145.04958	12.9
145.06090	0.6
147.02904	1.1
159.02890	5.7
173.23062	0.4
184.33582	0.4
185.04222	0.4
189.03891	0.4
189.09103	1.1
203.05295	1.1
213.03947	1.8
231.04987	6.9
231.07069	0.7
249.06024	2.2
259.07919	1.1
296.20468	0.4
309.16660	1.9
315.10809	0.8
471.22031	100.0
472.22409	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	471.2743
Annotation	Blazeispirol V1
Peak:m/z	Relative Intensity
53.03940	0.7
55.01871	1.2
55.05513	2.0
65.03943	2.8
67.05502	8.0
68.99787	1.4
69.03416	0.9
69.07073	2.4
69.25600	1.5
76.27943	0.3
77.03920	1.1
79.05492	4.5
81.03426	0.5
81.07056	5.3
82.04199	1.2
83.04990	0.8
83.08609	1.2
85.02959	0.3
86.67268	0.3
91.05486	3.0
93.03391	0.9
93.07043	2.7
94.04217	0.4
95.04967	5.4
95.08602	4.2
96.64455	0.4
97.06519	4.3
103.05482	2.7
105.03354	0.6
105.04495	0.4
105.07014	2.4
107.04956	6.2
107.08577	1.0
108.02091	3.7
109.06480	2.0
109.10175	1.8
110.03651	1.8
111.04446	4.2
115.05463	0.8
117.06991	1.9
119.08562	0.4
121.04011	0.5
121.06511	5.4
121.10122	1.2
123.04428	11.7
123.08062	0.6
123.11698	0.7
125.05987	73.7
126.06373	1.1
128.97356	0.4
131.04938	2.2
131.08524	0.8
133.06464	2.3
134.03581	0.4
135.04402	0.7
135.05434	0.4
135.08067	4.1
136.05238	0.4
137.05974	30.4
138.06358	0.5
139.03900	4.4
139.07526	1.0
141.05458	15.0
145.06476	2.2
145.10211	0.4
147.04425	1.2
147.08034	1.1
148.05203	0.6
149.05977	8.7
149.09627	2.1
151.03905	41.8
151.07497	4.1
152.04536	0.6
153.05463	100.0
154.05807	1.6
159.08078	0.5
160.05179	0.6
161.05939	3.3
162.06741	1.2
163.07536	44.2
163.14769	0.5
164.07899	1.1
165.05455	2.0
165.09027	0.4
167.07050	4.1
171.07983	0.4
174.06842	0.7
175.07549	5.4
176.08282	0.7
177.05690	1.9
177.09100	29.6
178.09406	0.6
179.07031	4.7
181.08556	0.4
187.07504	1.2
189.09108	3.4
191.07028	0.6
191.10670	10.9
193.08614	1.5
201.09099	0.6
203.10649	5.0
205.12219	2.8
215.10655	1.4
217.12170	2.4
229.12241	0.7
231.13780	0.8
233.15350	0.6
235.17024	0.5
259.09576	0.5
281.17368	0.5
285.11258	0.5
301.21616	1.5
313.21606	1.2
315.19748	0.5
319.22720	4.0
331.22610	2.0
394.24741	0.4
403.22534	0.7
405.24545	0.4
421.23846	2.9
425.27133	0.5
435.25275	3.4
439.18781	0.6
439.24780	11.4
440.24835	0.8
453.26370	15.7
454.26581	0.9
471.27383	10.5
472.27603	0.7
498.43390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2743
Annotation	Stigmatellin X
Peak:m/z	Relative Intensity
50.01585	0.6
53.03943	1.6
55.01871	1.3
55.05518	4.7
57.07069	0.7
65.03932	2.1
66.04693	0.8
67.01855	0.8
67.05505	9.5
68.99784	1.8
69.03422	1.5
69.07068	4.0
69.25156	3.2
77.03912	1.9
77.54908	0.5
79.05492	10.2
81.07053	8.6
82.04182	1.3
83.04983	0.9
83.08612	2.1
91.05480	6.7
93.03390	1.2
93.07044	3.8
94.04166	2.0
95.04972	6.4
95.08602	4.7
97.06542	4.4
97.10168	0.9
103.05470	2.1
105.03382	1.6
105.04514	1.9
105.07037	2.0
106.04150	0.7
107.04951	12.1
107.26846	0.6
108.05718	1.1
109.02869	2.2
109.06519	5.7
109.10155	1.6
110.03648	1.6
111.04442	6.8
115.05447	1.9
117.07008	2.3
119.04932	1.9
119.08604	1.1
121.02876	0.6
121.06515	8.4
121.10165	1.4
123.04430	22.9
123.08053	1.5
123.11710	0.8
124.05238	7.4
125.05991	60.6
126.03099	4.3
126.06369	0.6
129.06964	0.7
131.04932	1.0
131.08536	1.3
133.06496	10.4
134.03676	0.9
135.04425	1.0
135.05539	0.6
135.08066	2.1
137.05977	82.6
138.06348	0.9
139.03896	12.2
139.07538	29.2
140.04672	1.1
141.05429	2.1
145.06477	1.9
147.04382	1.8
147.08023	3.3
148.05219	1.0
149.05989	3.6
149.07036	0.7
149.09653	0.6
150.10066	0.6
151.03912	1.1
151.07538	20.4
152.04691	1.3
153.05464	59.7
154.05818	0.8
157.06445	0.7
159.08109	1.6
160.05273	1.2
160.06462	0.6
161.05968	8.9
162.03163	0.7
162.06761	1.0
163.03938	1.6
163.07541	13.1
165.05467	6.4
165.09129	1.3
167.07040	33.6
172.37558	0.6
173.06050	0.9
173.09718	0.7
174.06783	1.1
175.07535	7.2
177.05473	37.3
177.09050	7.4
178.06177	1.1
179.07030	19.0
181.08566	0.6
187.07544	1.8
189.09065	2.6
191.07042	6.0
191.10675	1.5
193.08604	10.8
201.09200	1.2
203.10696	1.4
205.08603	1.3
207.10155	1.4
215.10663	1.2
217.12163	0.9
219.10178	1.5
227.06908	1.3
231.10222	1.0
233.11774	0.7
239.06970	0.7
241.08580	2.5
243.06438	1.4
247.13548	0.6
253.08603	0.7
257.08148	1.8
261.07376	0.7
267.06540	1.6
269.08167	0.9
271.09543	0.8
285.07608	2.0
299.09201	0.9
316.13132	0.6
317.21118	4.8
329.21149	2.3
331.22714	1.7
390.21899	1.2
421.23685	2.6
425.26843	1.7
435.25174	0.9
439.24789	23.2
440.25134	0.8
443.27930	1.2
453.19968	1.0
453.26355	21.7
454.26666	1.0
471.27420	100.0
472.27692	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	471.2746
Annotation	Ajugin A
Peak:m/z	Relative Intensity
51.35549	1.2
51.43568	1.4
55.05514	10.3
55.33041	1.4
67.05500	9.3
69.07066	5.9
69.43905	1.3
69.77111	3.2
73.78802	1.3
76.89589	1.2
79.05485	3.8
81.07053	7.8
83.08636	2.6
91.05414	1.3
93.07051	3.8
95.04945	1.8
95.08613	6.7
97.06515	1.7
105.07066	1.8
107.51476	1.6
109.06530	3.3
109.10146	2.5
111.04475	2.3
121.06570	1.9
123.04451	4.8
124.05196	1.9
125.05998	8.2
133.06500	1.7
137.05994	21.7
139.03905	6.0
139.07544	7.8
141.05499	1.8
141.06985	1.4
151.07542	3.0
153.05490	12.5
153.06602	1.9
161.06047	2.9
162.06532	1.4
163.07571	2.0
167.07060	18.7
171.08029	2.0
174.06740	1.5
175.07570	3.7
177.05507	9.6
177.09096	3.2
179.07121	3.3
181.06381	2.2
183.08086	1.7
185.05937	2.3
187.03932	3.4
187.07594	3.3
187.20728	1.3
189.05447	2.0
189.09152	1.6
191.07063	3.7
191.10686	4.1
193.08578	1.9
197.05966	3.7
198.06786	3.0
199.07578	6.2
200.04637	2.0
201.05376	2.1
203.06946	1.8
203.10757	1.6
209.06044	1.5
211.07556	3.2
212.04718	2.2
212.08333	1.6
213.05519	5.7
213.09143	3.3
214.06232	4.0
215.03325	2.2
215.07011	3.2
217.05203	1.5
223.07521	2.2
225.05457	2.9
225.09088	3.3
226.06284	4.7
227.07080	15.2
228.04027	3.0
228.07846	4.5
229.05011	7.8
229.08636	3.5
230.05753	5.9
231.06552	3.6
235.07690	2.1
237.05397	2.6
237.09129	2.7
239.07115	6.4
240.07823	3.0
241.04944	5.2
241.08533	16.4
242.05763	4.6
243.06557	14.4
244.03885	2.9
244.07324	5.5
245.04385	7.7
245.08083	8.2
246.05020	1.5
251.06952	3.8
253.04913	2.0
253.08572	2.6
255.06564	17.9
255.10223	5.1
256.07291	7.8
257.04520	3.9
257.08075	13.9
258.05264	6.0
258.08978	3.3
259.06015	33.8
259.09714	4.1
260.06790	9.5
265.08682	3.4
267.06638	4.2
267.10223	3.0
268.07404	1.8
269.08060	13.3
270.08899	2.3
271.06076	3.5
271.09622	3.3
272.06885	6.8
273.07562	41.5
274.05145	2.3
274.08347	32.1
275.05560	2.1
275.09076	3.9
276.06393	4.0
279.10181	2.3
281.08139	4.7
281.11511	2.2
283.09653	6.0
285.07535	6.8
286.08353	3.1
287.09164	35.0
289.07117	9.2
290.07950	5.9
291.08688	6.1
292.09344	3.9
295.09753	1.9
296.10431	2.0
297.11279	3.0
299.09320	7.2
301.10797	2.9
301.21722	3.6
303.08972	1.9
305.10291	4.7
310.11993	1.7
311.12732	2.3
315.12363	1.9
319.22708	7.1
376.24301	1.7
393.24219	2.6
403.22888	3.1
407.26096	2.8
411.25339	3.3
421.23718	6.7
422.24539	7.2
425.26987	8.5
435.25308	14.8
436.26059	2.7
438.24030	5.9
439.24716	18.4
440.25613	31.1
440.31284	3.0
453.26392	91.3
454.26776	4.2
456.24942	4.7
471.27432	100.0
472.27798	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	471.2744
Annotation	Stigmatellin X
Peak:m/z	Relative Intensity
53.03946	1.1
55.01872	1.4
55.05495	2.7
55.49473	0.6
57.07087	0.7
65.03932	3.1
67.05508	9.1
68.67297	0.6
68.99790	2.3
69.03422	1.5
69.07066	3.2
69.84322	0.9
69.84649	1.3
75.63867	0.6
77.03918	1.5
79.05492	9.5
81.07054	6.4
82.04196	1.5
83.04969	1.0
83.08604	1.5
91.05476	4.8
93.03394	1.4
93.07037	3.1
94.04192	0.9
95.04973	5.8
95.08607	4.4
97.06528	4.8
98.22710	0.8
103.05480	1.6
105.04537	1.6
105.07035	2.2
107.04955	12.0
107.08588	1.4
109.02887	2.6
109.06523	4.2
109.10159	1.7
110.03652	4.3
111.04440	4.0
115.05471	1.6
117.06994	1.5
119.04919	3.3
119.95851	0.8
121.06510	6.0
121.10175	1.2
123.04431	17.9
123.08076	1.1
124.05221	2.9
125.05991	69.4
126.03120	2.8
126.06282	1.0
129.07007	0.9
131.04901	1.3
131.08595	0.9
133.06490	6.2
133.10143	0.9
134.03571	0.8
135.04494	0.7
135.05544	1.0
135.08051	1.5
137.05975	52.7
139.03905	6.4
139.07547	12.0
140.04678	1.8
141.05460	1.3
145.06505	1.1
147.04431	2.6
147.08041	3.1
147.30168	0.7
149.05994	4.5
149.09561	1.0
151.04938	0.9
151.07556	11.3
152.04672	1.7
153.05464	71.4
154.06242	1.1
159.08061	0.9
161.05991	7.5
161.09642	1.1
163.03889	1.6
163.07565	9.9
165.05513	3.6
165.09172	1.0
167.07036	15.3
173.05933	0.8
175.07564	5.7
177.05469	24.6
177.09068	6.7
178.06184	1.4
179.07036	11.7
187.07564	1.4
189.09097	1.9
191.06979	5.0
191.10661	0.9
193.08620	9.7
201.09114	0.8
205.08717	0.8
207.10207	1.5
213.05453	0.8
215.10545	1.0
219.10101	0.9
227.07034	0.8
233.11786	1.0
241.08696	1.3
243.06522	1.0
257.07990	1.1
285.07642	1.9
317.21130	2.4
329.21133	1.1
331.22656	3.3
358.42358	0.7
398.85245	0.7
405.57043	0.7
411.25351	0.9
415.32321	0.7
421.23615	1.5
439.24789	30.1
440.25150	1.5
451.15338	0.8
453.26468	13.9
471.27408	100.0
472.27628	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2745
Annotation	Ajugin A
Peak:m/z	Relative Intensity
55.01858	2.2
55.05508	11.6
58.06588	2.3
67.05495	12.0
69.07062	9.4
69.33112	9.8
79.05493	6.6
81.07051	13.7
83.08639	3.0
85.02922	3.1
91.05475	6.1
93.07030	6.0
95.04980	2.9
95.08600	9.2
97.10152	2.4
105.07034	2.8
107.04956	3.1
109.06498	2.8
109.10149	5.4
111.04453	3.3
117.06976	2.3
121.10196	3.3
123.04401	7.5
124.05140	2.6
125.05973	11.4
125.92785	2.3
128.03288	2.1
129.06978	3.7
133.06516	3.3
137.05997	23.9
139.03870	5.9
139.07535	13.6
147.08054	2.3
149.09636	2.3
151.07558	5.2
153.05464	18.5
154.94148	7.7
161.06006	3.2
163.07567	8.2
167.07014	23.8
171.04372	2.3
172.95215	5.6
175.07567	5.2
177.05434	11.3
177.09070	5.2
179.06995	5.8
181.06520	2.7
185.05969	3.5
187.03804	2.7
187.07545	3.5
189.05450	3.6
189.09132	2.6
190.96254	2.9
191.07047	4.1
191.10703	2.9
196.07280	2.9
197.05890	2.9
198.06822	4.9
199.07541	7.7
200.04741	2.2
201.05450	4.5
203.07019	2.5
209.09534	3.0
211.07510	4.4
211.09636	2.6
212.04655	3.9
212.08389	2.9
213.05452	6.0
213.09120	6.6
214.06258	2.7
215.03436	2.7
215.07021	4.0
216.04256	2.8
223.07494	2.5
225.05385	3.1
225.09203	3.6
226.06125	5.4
227.07085	14.8
228.04207	5.4
228.07840	8.5
228.97925	3.5
229.05028	10.0
229.08493	4.2
230.05721	6.0
231.06485	5.3
236.15019	10.7
237.05597	3.0
237.08978	3.9
238.06175	2.6
239.07086	8.0
240.07631	2.4
241.05000	6.9
241.08507	18.3
242.05678	4.1
243.06509	16.7
244.03729	3.8
244.07301	7.6
245.04390	9.4
245.08072	11.2
246.05258	3.8
251.07016	3.5
253.08659	4.7
255.06528	19.7
255.10162	5.0
256.07233	11.2
257.04437	5.7
257.08090	19.0
258.05255	9.8
258.08920	5.3
259.06003	43.7
259.09198	2.8
259.09747	2.7
260.03983	2.7
260.06674	14.9
261.03754	3.0
265.08649	4.5
267.06512	3.9
267.10150	2.3
268.06976	2.5
269.08118	17.9
270.08936	3.2
271.06296	3.3
271.09604	6.8
272.06815	9.9
273.04651	1.9
273.07578	46.2
274.05127	3.9
274.08282	35.8
275.05447	5.3
275.08939	3.7
276.06369	3.6
281.07925	3.2
281.11618	2.2
283.09528	4.0
284.10306	3.0
285.07623	6.7
286.08350	4.2
287.09134	35.8
289.07056	13.3
290.07925	4.1
291.08536	6.0
299.09174	6.6
301.10736	4.3
303.08661	3.3
305.10135	4.7
315.12137	3.9
317.17874	5.2
319.22675	8.9
329.13910	4.0
366.61182	2.2
393.24588	2.7
411.25360	2.8
421.23599	8.1
422.24448	7.9
425.26843	9.8
435.25238	20.1
438.23965	6.5
439.24631	19.4
440.25467	33.0
443.27579	2.6
453.16943	4.9
453.26355	89.5
454.26773	6.6
454.35040	2.6
456.25085	4.1
471.18588	7.1
471.27405	100.0
471.34259	5.0
472.28036	9.9
472.36380	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	471.2745
Annotation	Salpichrolide N
Peak:m/z	Relative Intensity
53.03937	1.4
55.01867	1.6
55.05510	3.3
57.07082	1.0
65.03933	0.9
67.05513	6.2
68.99783	1.7
69.03431	1.2
69.07059	2.5
69.59254	1.5
69.59642	1.5
77.03899	0.8
79.05493	6.1
81.07066	5.6
83.01344	1.1
83.04979	1.0
83.08640	1.3
91.05485	8.5
92.50468	0.7
93.07033	3.5
95.04961	4.7
95.08611	3.4
96.05756	2.0
97.06528	1.6
98.22747	1.4
98.23337	1.8
103.05478	1.8
105.04501	1.8
105.07044	3.1
105.92139	0.7
107.04974	3.7
107.08582	1.5
108.05767	1.1
109.02946	0.9
109.06530	3.3
109.10163	1.5
111.04450	14.0
111.08080	2.7
117.07012	2.6
119.04980	0.8
121.06516	9.4
121.10113	1.1
123.04433	9.8
123.08042	3.5
124.05220	5.8
125.05990	12.5
129.07047	1.1
129.42252	0.7
131.04910	0.8
131.08554	1.0
133.06482	3.6
133.10088	1.4
135.08049	3.2
136.05232	2.4
137.05977	20.7
139.03902	30.1
139.07544	51.5
141.05518	0.7
145.06491	1.3
147.04419	1.0
147.08066	3.3
149.06000	2.6
149.09564	1.1
149.42021	0.7
151.07547	79.9
152.07919	1.4
153.05464	19.4
153.06668	1.4
153.09081	1.1
154.06168	0.8
161.05963	4.5
161.09599	1.2
163.03923	0.8
163.07547	6.8
165.05482	3.5
165.09166	1.8
167.07045	56.5
168.07431	1.2
175.07539	3.9
177.05510	3.4
177.09114	6.3
179.07010	6.5
181.08600	1.4
187.07542	1.1
189.09119	2.4
191.07069	7.6
191.10722	2.5
193.08583	7.2
196.74579	0.7
196.87958	0.7
197.21704	0.8
203.10773	1.2
207.10201	2.0
215.10634	1.1
224.47682	0.7
231.13690	0.7
233.11534	0.8
241.08698	1.0
243.06570	1.0
255.10184	0.9
257.08121	1.1
267.09930	1.0
271.09854	0.8
272.02692	0.7
299.09308	0.8
317.20868	1.2
333.20660	1.1
425.27191	0.9
431.15521	0.8
435.25229	2.0
439.24701	2.2
453.17502	1.4
453.26318	15.1
454.26416	0.9
471.19348	5.2
471.27393	100.0
472.27853	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	471.2743
Annotation	Methyl 20(21)-Dehydrolucidenate A
Peak:m/z	Relative Intensity
53.03939	1.2
55.05504	3.3
55.71625	1.0
57.07063	1.7
67.05502	4.8
69.07059	3.5
69.20823	4.6
69.21239	2.1
79.05476	6.4
81.07047	5.1
91.05464	2.9
93.07040	2.1
94.04202	1.3
95.04968	4.8
95.08590	2.8
98.23552	2.1
103.05482	1.2
105.04531	1.2
105.07040	2.6
107.04971	10.2
107.08646	1.7
109.06512	5.1
109.10135	1.3
111.04423	2.3
115.05452	1.5
117.06992	1.7
119.04989	1.5
121.06514	4.1
121.10157	1.1
123.04437	9.1
123.08055	1.7
125.06008	4.3
126.03151	2.0
133.06525	1.8
135.05531	1.6
135.08005	1.7
137.05977	100.0
138.06268	1.4
139.03934	9.0
139.07547	2.6
141.05484	7.2
145.06494	1.6
147.04514	1.6
149.05969	2.8
149.09512	1.3
151.07538	34.8
152.08011	1.4
153.05441	6.6
153.09006	1.3
154.02589	1.4
161.05960	2.7
163.03893	1.9
163.07553	30.4
165.09175	1.2
167.03381	3.9
167.07098	3.0
169.04961	21.3
173.08234	1.3
175.07579	2.2
177.05482	4.1
177.09114	18.1
179.07024	2.0
181.06679	0.9
189.09128	1.8
191.10580	1.4
193.08565	1.8
197.05963	1.1
203.10658	1.4
227.07121	2.4
229.04997	1.3
241.08571	3.4
245.07982	1.6
255.06590	2.0
255.10025	1.2
257.08105	1.7
259.05969	5.3
269.08167	2.4
271.09708	1.4
273.07556	7.5
274.08414	4.1
283.09738	1.3
287.09134	4.9
289.07104	1.3
319.22623	1.7
393.24347	1.3
411.25220	2.5
421.23764	3.6
422.24661	1.4
425.26837	2.8
435.25156	2.4
439.24948	10.9
440.25418	4.8
453.26328	17.0
454.27026	1.1
471.27374	55.4
472.28006	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.5
57.07085	5.5
58.78147	2.9
59.04994	3.8
62.10261	3.0
67.05502	28.3
69.07053	15.1
71.04984	4.9
71.08604	3.6
75.04486	14.7
79.05503	23.0
80.06323	3.5
81.07055	39.0
83.04955	4.7
83.08622	11.3
85.06520	5.8
91.05488	20.6
93.07034	15.0
95.04950	8.0
95.08625	23.6
95.92989	3.5
97.06514	7.8
97.10185	4.8
99.04529	3.4
101.06041	4.7
103.05524	3.7
105.07037	16.0
106.40237	3.4
107.04932	7.2
107.08569	10.9
109.06516	9.5
109.10179	9.4
111.04446	7.1
111.08028	4.6
113.02397	3.5
113.05978	9.8
117.07011	12.6
119.08575	11.5
121.06499	11.4
121.10143	9.2
123.04437	15.1
125.05983	30.4
127.07529	4.1
128.04674	11.9
131.08575	6.4
133.06557	4.2
133.10129	8.1
134.60527	3.1
134.98190	13.6
135.08043	9.1
135.11694	5.7
137.05965	46.4
139.07489	9.0
141.05478	13.6
143.07072	6.7
143.08565	4.3
145.10094	9.3
147.08072	6.7
149.05991	7.2
149.09663	5.4
149.13277	4.4
151.07555	10.4
153.05479	20.8
155.03447	4.1
155.07077	4.0
156.04103	4.6
159.08087	5.0
159.11714	4.3
161.05984	8.5
163.07526	14.5
165.09068	4.2
167.07028	15.1
167.10660	3.9
169.04947	5.9
171.06526	14.8
175.07568	5.0
175.11119	5.1
177.09126	7.5
179.07042	6.5
179.10675	4.9
181.08627	9.1
191.10570	3.7
193.08583	6.4
195.10191	3.9
221.11591	3.2
269.18829	3.4
274.99237	3.1
291.48593	3.2
301.21591	4.9
305.12015	3.8
305.24786	4.4
319.22681	6.6
329.21143	8.1
333.24188	23.4
347.22113	5.5
353.26688	4.5
361.23740	28.3
379.24661	31.4
389.23163	37.5
393.26300	20.4
421.25833	27.9
425.28906	100.0
426.29413	6.1
429.74097	3.4
453.28427	65.6
454.29205	6.1
471.25104	4.4
471.31332	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.05517	15.0
56.70755	1.3
57.03451	1.5
57.07077	5.3
60.84538	1.4
65.03941	5.5
65.64877	1.4
67.05507	27.5
68.99802	2.7
69.03436	13.3
69.07070	16.8
71.04990	2.7
71.08606	1.5
75.04493	2.6
79.05490	16.4
81.07060	27.6
82.04228	1.4
83.04996	4.8
83.08617	7.6
85.02934	1.6
85.06525	1.4
91.05479	14.3
91.44775	1.1
93.07044	13.6
95.04979	11.3
95.08600	21.6
97.02916	2.2
97.06512	8.0
97.10184	2.4
103.05470	3.8
105.03418	2.1
105.04529	2.0
105.07020	10.4
107.04972	6.7
107.08593	9.1
108.02136	3.0
108.96838	1.3
109.02906	3.1
109.06525	5.4
109.10139	7.2
110.03647	1.4
111.04442	7.5
111.08072	3.7
113.06066	1.3
117.07022	8.5
119.08623	6.7
119.16340	1.2
121.06509	14.1
121.10169	5.5
123.04431	18.4
123.08073	2.0
123.11740	3.3
125.02356	3.7
125.05996	68.4
125.09581	6.4
126.06287	1.6
129.07010	2.9
131.04944	2.7
131.08586	10.0
133.06506	4.2
133.10152	4.5
134.98203	12.5
135.04425	2.9
135.08015	6.1
135.11676	2.4
137.02402	2.3
137.05989	34.0
139.03900	10.9
139.07545	5.3
140.04659	6.6
141.05472	14.5
143.08580	3.1
145.06496	5.0
145.10167	4.5
147.04404	1.9
147.08054	5.4
147.11763	1.8
149.05994	14.2
149.09625	4.1
149.13277	2.3
151.03903	33.0
151.05043	2.2
151.07550	9.1
153.01881	3.0
153.05470	100.0
154.05908	2.9
155.07045	5.8
155.08434	1.4
157.06554	1.6
157.10210	2.3
159.08104	2.3
159.11707	2.5
161.05971	11.1
161.09641	2.7
162.06758	1.4
163.03854	1.8
163.07550	44.3
165.01871	3.9
165.05476	3.8
165.09294	1.7
167.03415	10.4
167.07063	13.8
169.04991	1.4
169.10193	2.1
171.08090	2.6
171.11693	2.4
173.05992	1.8
173.09650	2.2
173.13307	2.1
175.07564	7.8
175.11258	1.6
177.05536	4.9
177.09099	28.6
179.05727	1.4
179.06987	6.8
181.04950	6.0
181.08556	2.6
181.09978	1.6
183.02853	18.3
183.04144	1.4
184.03445	1.5
185.04491	3.5
185.09618	1.7
187.07637	3.2
187.11134	2.6
189.05368	2.2
189.09117	5.8
189.12843	1.3
191.07019	3.0
191.10696	10.4
193.04968	2.7
193.08620	5.0
195.06567	3.5
199.06030	4.5
199.11211	1.6
201.09088	1.5
203.06996	1.6
203.10594	6.9
205.08588	1.7
205.12283	4.3
207.10146	1.8
215.10634	2.0
217.12292	3.5
221.08211	1.7
229.12234	3.1
229.19618	1.8
251.17929	1.5
269.19031	2.6
273.22171	2.2
275.23538	1.6
287.20193	1.5
297.18423	2.0
301.21606	9.2
303.23172	4.3
311.20041	2.3
313.21860	1.7
315.19626	2.7
319.22672	6.6
329.21176	14.7
331.22687	4.4
335.25748	8.1
337.27472	4.7
347.22150	29.1
357.03787	1.3
357.20596	57.7
358.20828	1.7
359.25726	2.0
361.23703	7.3
363.25293	84.6
364.25629	5.0
375.21680	56.6
376.22043	2.8
389.23221	67.1
390.23523	4.5
407.24301	52.4
411.25729	1.6
421.24188	2.8
425.25418	6.1
435.25037	3.2
439.24783	11.6
453.26450	16.3
453.32578	2.2
471.26297	9.3
471.29016	9.6
472.28027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.3
53.03955	0.4
54.90025	0.4
55.05510	1.5
62.82695	0.3
64.95945	0.4
65.03938	1.0
67.05510	1.6
69.07065	0.8
70.73641	0.8
79.05493	3.0
81.07052	3.1
83.01343	1.5
83.08643	0.6
91.05477	3.8
93.07072	1.2
95.04965	1.5
95.08603	1.3
96.05753	2.0
97.06532	0.6
98.23032	0.6
105.04519	0.7
105.07027	1.3
105.08241	0.4
107.04956	1.8
109.06500	3.5
111.07371	0.4
111.08049	2.1
117.07033	0.8
121.06509	3.3
123.04395	1.0
123.08043	1.4
124.05214	6.5
125.06003	6.7
131.08554	0.9
133.06482	0.4
134.98251	0.9
135.08043	3.0
137.05975	46.8
138.06308	0.4
139.07538	59.4
140.04616	0.4
140.07867	0.8
145.06485	0.9
147.08035	0.6
149.05986	0.5
149.09576	0.6
151.07541	16.6
153.04231	0.7
153.05461	12.6
155.07027	0.8
159.08063	1.6
161.05948	0.5
163.07541	11.2
167.07033	100.0
168.07330	1.9
175.07500	1.0
177.09111	13.6
179.06967	0.9
181.08568	1.4
191.10641	2.8
193.08525	0.7
211.00952	0.4
211.82611	0.4
222.73375	0.5
299.08798	0.4
317.24646	2.2
421.26956	0.5
439.28433	14.3
440.28497	0.7
453.29797	3.4
454.30563	0.4
471.31122	9.1
472.31149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.311
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
50.09382	1.3
55.05507	2.3
57.07053	1.4
62.91812	1.3
67.03733	1.3
67.05518	3.4
69.07063	2.7
70.96318	2.6
73.15798	1.3
79.05477	3.5
81.07047	2.9
83.08617	2.1
91.05486	3.7
93.03367	1.4
95.04948	4.3
95.08624	1.6
97.06522	6.1
97.10127	1.5
103.05450	1.6
105.04523	1.5
107.04915	3.8
109.06517	1.6
110.03641	1.7
111.04427	6.3
121.06548	1.9
123.04404	6.1
124.05205	1.9
125.05994	64.6
137.04944	2.4
137.05989	45.0
139.03899	14.0
139.07503	7.1
149.05952	4.7
149.09563	1.9
151.07544	23.6
153.05469	100.0
154.05838	2.2
163.07530	17.1
167.07054	5.2
177.09123	15.6
179.06955	2.0
257.08029	3.1
285.11221	1.6
319.26151	2.7
321.44208	1.4
331.26282	5.7
345.27585	1.8
349.30301	1.6
411.00418	1.6
421.27393	1.7
439.28610	8.5
453.29800	22.2
471.30936	51.6
472.31296	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
55.05748	1.0
57.07066	1.4
65.03943	1.5
67.05515	2.4
69.07065	2.2
69.30128	3.3
69.30532	2.2
78.40375	1.0
79.05476	4.7
81.07052	3.6
83.01302	1.1
83.08612	0.9
85.98973	1.1
91.05473	2.8
93.07034	2.9
95.04943	3.1
95.08588	2.0
96.05737	1.9
97.06501	1.1
97.78258	1.1
98.22824	3.0
105.07073	1.1
107.04944	6.1
108.05750	1.1
109.06515	3.9
111.08080	2.5
114.39984	1.0
117.07027	1.7
121.06497	4.3
123.04420	2.2
123.07979	1.1
124.05200	8.1
125.05994	15.9
135.08038	3.5
137.05980	29.2
138.06778	2.3
139.03955	1.1
139.07538	64.1
145.06435	1.6
151.07533	29.2
153.05469	22.3
153.09100	2.4
159.78526	0.9
163.07500	9.2
163.08472	0.9
165.09119	2.7
167.07039	100.0
168.07428	2.0
175.07544	2.4
177.09094	15.7
179.07146	1.0
181.08727	1.4
191.10725	5.1
193.08592	1.3
260.04144	1.0
284.64508	1.0
317.24765	3.8
439.28476	10.6
453.29700	3.3
471.30942	12.8
471.45590	2.0
472.31607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03949	0.9
55.01873	0.4
55.05507	0.6
57.07073	78.1
58.07413	0.7
59.04987	0.4
65.03946	0.4
67.05520	0.2
69.03426	0.8
69.07053	0.9
69.42434	0.3
69.42833	0.5
71.08632	1.2
73.06560	1.1
77.03912	2.6
77.04295	0.2
79.05490	0.6
81.03445	0.2
81.07074	0.3
83.05016	0.5
83.08617	0.3
87.04467	7.9
89.06028	100.0
90.04718	0.3
90.06348	1.1
91.05476	10.8
91.07597	0.5
93.07043	15.8
94.07400	0.2
95.04967	6.3
95.08595	0.3
97.10143	0.3
103.05464	4.8
105.04517	3.1
105.07026	2.1
107.04957	0.9
107.07066	1.2
107.08585	2.8
109.06521	0.8
113.13277	1.3
117.07009	1.5
117.09146	0.3
118.07800	6.2
119.04945	4.5
119.05807	0.2
119.08576	5.5
119.09418	0.3
121.06499	64.7
121.10102	1.1
122.06802	1.1
123.08077	0.6
128.90247	0.2
129.07016	0.7
130.08611	1.4
131.07068	1.3
131.08592	0.5
133.08598	59.7
134.08936	1.0
135.08060	4.0
135.10168	0.4
135.11696	1.6
139.07567	0.3
139.12080	0.2
144.09369	0.3
145.10133	0.4
147.08040	13.5
148.08366	0.3
149.09604	3.7
149.13287	0.8
150.06741	2.8
151.36714	0.2
159.11691	2.1
161.09583	0.2
162.09174	0.3
163.07545	0.6
163.11168	2.0
165.09106	37.8
166.09486	0.7
167.10669	1.8
173.09630	0.5
175.09833	0.2
175.11206	0.4
177.11230	18.0
177.12721	2.0
178.11606	0.4
183.10185	0.5
191.10634	1.9
193.12250	0.7
195.12318	0.3
207.13835	0.4
209.11717	15.6
210.12122	0.5
211.13342	0.6
217.17006	0.8
221.13820	1.6
225.50085	0.2
227.12750	0.9
231.17502	0.4
233.18990	19.7
234.19386	0.7
235.13295	1.0
247.20503	0.2
253.14340	2.3
255.15860	0.4
259.20636	1.3
260.60431	0.2
271.15399	4.8
275.23663	0.3
277.21613	29.9
278.21896	1.2
303.23297	0.2
315.18036	3.6
316.18298	0.3
321.24277	3.4
336.28281	0.2
341.19522	0.2
359.20618	31.4
360.20908	1.1
427.30655	0.4
471.26993	0.3
471.33188	4.6
472.33463	0.2
498.27832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.8
57.07068	3.6
63.77964	1.5
67.05499	12.3
69.03426	2.1
69.07067	15.6
69.26448	9.2
75.43560	1.7
79.05493	9.0
81.07055	25.5
82.22057	1.9
83.08602	6.8
83.62521	1.7
85.02900	3.6
91.05478	11.7
93.07039	27.6
95.08025	3.1
95.08601	47.3
97.10168	2.2
100.11222	2.0
103.05438	1.8
105.07036	34.7
107.08585	35.1
109.06477	1.7
109.10155	27.1
111.04404	1.7
111.08050	1.9
117.07005	6.4
118.71194	1.6
119.08582	35.3
121.10143	32.9
123.04433	3.5
123.11700	11.8
128.06267	2.7
128.22780	1.8
129.06993	5.8
130.07770	3.1
131.08563	28.9
133.10153	22.2
135.08047	3.6
135.11688	23.5
137.02373	2.0
137.13237	7.4
139.03914	6.2
142.07745	3.9
143.08569	17.1
144.09314	2.7
145.10123	39.7
146.10461	2.5
147.08040	7.1
147.11671	18.2
149.13272	16.3
151.03839	2.0
155.08516	2.6
156.09264	3.9
157.10129	17.2
159.08107	2.7
159.11662	23.9
161.09630	11.5
161.13264	14.5
163.07484	3.7
163.14786	11.6
165.09142	2.2
166.29121	2.0
169.10123	2.2
170.10905	4.5
171.11665	7.5
173.13266	22.9
175.07579	2.6
175.11154	7.6
175.14880	8.3
177.16405	3.4
183.11719	3.0
185.09566	1.9
185.13251	12.7
187.14807	20.6
189.09123	5.4
189.12657	2.7
189.16417	11.7
191.14330	6.3
191.17940	100.0
199.14799	25.9
200.15099	2.3
201.12866	2.8
201.16382	21.9
203.14310	18.4
203.17944	29.1
205.15717	2.0
205.19447	5.9
213.16403	3.7
215.14392	2.2
215.17986	2.9
217.12251	2.0
217.15889	25.4
217.19421	10.3
218.21172	5.4
219.13840	19.3
219.21062	2.3
227.14352	3.2
231.13831	4.4
231.30394	1.8
233.15323	7.9
235.16940	4.4
245.15434	10.7
245.22652	2.2
249.14694	2.9
263.16504	9.0
287.07318	5.3
308.93872	1.7
331.06116	3.3
407.33133	10.5
423.32309	3.3
425.34045	7.0
427.19290	9.4
435.32397	6.0
441.33417	3.2
453.33783	15.9
471.18414	48.1
471.25577	16.2
471.34619	27.8
472.18784	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	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.8
64.31824	1.4
67.05517	8.2
69.07079	11.3
69.43537	6.8
79.05492	7.7
81.07062	22.9
83.08627	6.3
85.02898	2.4
91.05477	11.4
93.07045	28.1
95.04983	2.5
95.08609	38.4
97.10178	2.7
98.23383	2.2
100.11283	1.7
103.05460	1.5
105.07029	29.1
107.08595	35.4
107.09261	2.6
109.10159	21.2
111.08076	1.6
117.07027	5.8
119.08578	34.8
121.10147	30.0
123.11691	9.2
128.06236	3.4
129.07011	5.9
130.01576	1.5
131.08560	29.0
133.10132	22.9
135.08067	2.8
135.11697	24.9
137.13260	4.6
139.03877	1.8
142.07829	3.0
143.08549	15.8
145.08984	2.8
145.10124	46.0
147.08081	5.2
147.11699	15.8
149.06093	2.0
149.13245	14.9
151.07544	2.7
157.10146	17.3
159.11719	22.4
161.09601	11.2
161.13277	11.0
163.14792	11.5
165.09215	1.8
169.10219	1.6
170.10930	2.4
171.11687	9.7
173.09747	1.8
173.13284	22.8
175.11224	6.9
175.14861	7.0
177.08955	1.9
177.12756	2.1
177.16449	4.9
183.11687	4.6
185.09703	2.4
185.13248	15.4
187.14833	20.1
189.09071	4.5
189.12740	3.3
189.16354	11.7
191.17950	100.0
191.58928	1.5
192.18285	3.7
197.13298	3.0
199.14822	31.8
201.12856	2.3
201.16386	23.4
203.14343	13.4
203.17935	21.7
205.12199	3.5
205.15976	1.8
205.19519	5.5
213.12827	1.7
213.16441	3.6
215.17891	1.9
217.15906	25.3
217.19553	6.7
219.13782	15.5
219.17320	2.1
227.14322	3.2
227.17984	2.1
231.13846	2.8
231.21048	2.5
233.15494	6.7
235.16940	6.7
245.15387	13.1
249.14853	2.8
263.16531	8.4
277.14505	1.7
299.39813	1.7
308.13141	1.7
389.32233	2.0
407.32877	9.8
425.34164	8.6
435.32486	5.4
438.16608	1.6
453.33646	13.1
454.30908	4.7
463.31186	4.2
471.20804	1.9
471.34613	31.8
472.31631	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Ilelatifol D
Peak:m/z	Relative Intensity
53.02037	1.5
55.05503	9.2
57.07071	6.1
67.05504	26.8
69.07063	23.6
69.21570	4.5
69.21965	3.5
71.01337	1.6
71.04996	5.6
77.56789	1.3
79.05498	8.4
81.07059	34.7
83.04994	3.9
83.08618	7.1
85.06519	8.9
91.05491	7.9
93.07040	19.2
95.04996	4.2
95.08603	56.2
96.08949	1.5
97.06547	3.9
97.10178	2.1
98.23489	2.8
99.04453	3.2
99.08086	35.4
101.06004	3.7
105.07047	17.0
107.04974	4.8
107.08589	25.9
109.06517	3.9
109.10153	99.6
109.90875	1.5
110.10546	2.3
111.04400	1.6
111.08060	1.8
111.11726	5.7
117.07049	3.0
119.08582	20.9
120.16545	1.4
121.06472	8.1
121.10146	38.5
123.04424	2.5
123.08077	8.2
123.11713	30.1
125.02362	1.7
125.09634	2.8
125.10576	1.5
127.11182	8.2
129.07083	2.4
131.08580	5.9
133.06505	4.5
133.10126	16.4
135.04428	1.6
135.08061	7.3
135.11681	15.2
136.93146	1.9
137.06003	6.5
137.09605	15.0
137.13248	9.8
139.07576	2.8
143.08586	5.3
145.10109	14.2
147.08058	7.5
147.11694	9.8
149.06035	4.2
149.09683	3.4
149.13246	8.6
151.07533	4.5
151.14859	3.6
153.05646	1.8
154.94138	4.5
155.08623	2.3
155.10669	3.1
156.09354	3.0
157.10138	7.5
159.08051	3.7
159.11653	9.3
161.09628	5.9
161.13309	4.5
163.07515	4.5
163.11200	8.0
163.14836	2.8
165.05469	2.2
165.09099	3.8
165.12729	1.9
167.07051	2.2
169.10185	2.5
170.10812	2.3
171.07973	1.4
171.11673	8.4
172.95221	3.8
173.09628	4.5
173.11862	2.1
173.13345	4.5
175.11217	5.7
175.14867	4.7
177.09117	2.4
177.12805	3.3
177.16377	3.6
181.10040	1.8
183.11794	2.0
185.09724	2.2
185.13313	5.6
187.11229	6.0
187.14807	4.1
189.12808	5.8
189.16441	3.3
191.10712	7.5
197.13371	2.7
199.14919	2.6
201.09126	2.2
201.12671	3.4
203.10742	2.3
203.14343	4.6
205.12254	2.3
205.19510	18.6
210.68790	1.7
211.14694	3.0
213.12697	3.4
215.10732	3.0
215.14305	2.4
217.12325	2.8
217.15845	2.5
223.13300	2.0
227.17973	2.1
228.97823	2.2
229.15887	4.6
229.19527	2.1
231.13802	3.8
233.11781	3.9
235.13261	2.6
239.14326	1.6
243.17546	2.1
245.15392	1.9
247.13203	1.9
249.14745	8.1
251.12729	3.8
257.15308	3.1
263.16513	4.3
275.16418	5.9
289.18042	7.6
289.21387	1.6
299.20074	1.8
299.23776	2.9
301.21591	4.0
303.19754	1.8
317.18015	4.1
317.21304	2.7
327.23193	9.4
345.24286	27.5
371.29630	3.3
407.33084	2.3
409.31146	4.3
411.32584	2.6
425.33994	2.7
427.32025	18.8
435.32642	10.3
453.17145	3.3
453.33661	34.5
454.33969	3.8
471.18341	5.5
471.34717	100.0
472.35184	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	471.3473
Annotation	Hyperinol B
Peak:m/z	Relative Intensity
50.61504	0.9
54.58356	1.0
55.05511	3.7
55.43064	1.0
57.03433	1.8
57.07074	1.3
67.05504	5.1
69.07072	16.0
69.25924	3.6
69.26329	1.9
69.31866	1.1
71.04994	1.4
71.08629	14.6
79.05480	5.8
81.07061	10.7
83.01362	2.3
83.05019	1.1
83.08619	3.7
85.02909	1.9
91.05486	5.0
93.07046	18.3
94.81228	1.0
95.04971	1.9
95.08620	7.2
97.06567	1.2
97.10164	1.6
99.08094	14.8
105.07032	9.5
107.04956	1.7
107.08609	11.9
109.06505	1.8
109.10158	6.4
111.08107	1.3
117.07011	1.6
119.08575	4.9
121.06496	2.4
121.10154	2.0
123.04424	1.5
123.08112	1.7
123.11697	1.7
125.05992	13.6
129.07010	1.4
131.08575	4.2
133.10156	5.1
135.08051	2.3
135.11731	6.2
137.05974	8.9
137.09636	1.4
139.03853	1.5
139.07544	4.2
143.08556	2.1
145.10132	5.1
147.08041	1.0
147.11688	1.2
149.09616	1.2
151.07555	3.9
153.05469	29.9
153.06685	2.0
157.10175	1.6
159.08083	1.5
159.11667	3.0
161.05952	2.4
161.09651	2.2
163.07564	2.9
165.09146	1.4
167.07094	9.1
169.10165	1.7
171.11737	3.8
173.09618	2.2
173.13297	2.9
175.07562	2.7
175.14896	1.0
177.05492	2.8
177.09094	6.1
179.07048	4.2
179.10681	4.2
183.11664	1.8
185.09660	1.4
185.13274	1.9
187.07558	3.4
187.11189	1.9
189.09120	4.4
189.16331	1.1
191.10654	2.8
193.08646	2.5
195.11810	1.3
195.17395	1.2
197.09660	1.3
197.13251	1.9
201.09138	3.8
203.10617	2.2
211.14844	1.8
215.10674	3.7
217.12302	1.8
229.12198	1.3
233.11681	1.1
241.12259	1.2
243.13966	1.1
247.17024	3.3
257.15424	6.7
317.21033	1.4
335.22089	2.7
349.23785	1.6
369.31641	1.1
373.27414	4.2
381.12833	1.1
385.27310	3.3
403.28510	6.7
407.33160	2.2
425.34247	8.4
435.32504	3.0
453.33661	100.0
454.33911	5.7
471.27573	5.9
471.34735	29.9
472.34995	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
58.25619	0.3
69.03416	2.4
69.13642	1.3
69.14056	0.6
71.04984	0.6
76.60769	0.3
79.01869	2.3
79.59915	0.4
81.03421	8.6
85.02901	2.8
97.02901	5.7
98.19936	0.3
98.22771	0.7
99.04445	0.8
103.03877	0.5
107.01315	1.6
109.02883	5.6
125.02354	2.9
127.03916	7.2
139.03896	1.0
141.09096	0.4
143.03421	3.7
145.04936	1.7
153.01830	100.0
153.02881	4.5
154.01073	0.4
154.02084	2.0
162.14175	0.4
163.04042	0.4
171.02887	13.5
172.03220	0.4
177.05476	0.4
179.03349	1.7
207.06535	0.6
231.06548	1.0
237.04012	0.4
255.04919	0.4
261.13370	0.5
288.72089	0.4
295.95557	0.4
297.06061	10.9
315.07108	10.9
316.07144	0.5
383.31229	0.4
472.12677	0.5
472.21301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
54.94445	1.1
55.01868	9.3
57.03429	4.4
61.02934	7.5
68.99790	3.3
69.03429	25.6
69.27744	5.0
71.04995	5.3
73.02917	10.7
79.05500	2.7
81.03414	32.0
81.07059	1.2
83.01363	1.2
83.04989	1.1
85.02903	87.2
85.06541	1.2
87.00829	38.8
91.03958	2.9
95.04987	1.5
97.02893	54.7
98.22696	1.9
99.04455	18.8
105.01868	60.1
105.03379	20.1
105.32831	1.1
108.04530	1.3
109.02880	36.0
111.04486	1.7
115.03931	1.4
117.01862	4.1
123.04436	4.2
127.03913	100.0
128.04248	1.4
129.01834	3.9
145.04959	68.2
147.02832	4.4
147.08014	1.0
159.02884	24.8
165.09108	1.4
175.07445	1.3
177.03987	2.1
189.03979	1.5
189.09119	4.0
193.08577	1.7
197.87347	1.0
211.09691	1.9
213.03920	6.0
231.04984	31.4
249.06064	9.3
276.59354	1.0
315.10812	2.7
340.79413	1.1
471.22330	1.0
472.22382	42.5
473.22345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.4
56.06834	0.3
56.09163	0.3
58.05361	0.3
69.88799	0.6
69.89187	0.7
70.06615	0.4
74.45235	0.3
78.87640	0.3
84.08141	55.2
85.08457	0.4
116.07103	0.4
130.08636	100.0
131.08984	1.2
206.11385	0.3
320.71298	0.3
371.35440	0.3
383.67313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66337	0.4
57.03443	0.7
68.99778	0.5
69.03425	4.4
70.06591	0.6
70.26435	0.7
72.08153	0.5
73.02912	0.4
81.03419	1.5
85.02901	9.9
87.00829	30.9
87.04472	3.0
97.02892	100.0
98.03251	1.2
98.06042	1.3
100.11288	0.5
105.01866	12.5
108.04449	0.6
109.02901	0.8
111.04427	0.6
115.03902	2.4
120.31670	0.4
121.06484	0.6
123.04405	0.5
126.05523	1.8
127.03943	1.1
133.04944	0.4
139.03894	0.8
144.06570	1.8
145.04974	1.1
162.09126	0.6
167.07057	0.8
180.10104	0.7
190.08717	0.6
201.03941	39.9
202.04292	0.6
208.09727	1.6
209.04427	0.6
219.04987	13.3
236.07657	1.1
265.11752	2.5
275.09039	1.1
293.10782	0.4
299.30032	0.4
310.12775	0.4
319.10123	0.5
327.07013	0.6
333.13544	0.5
345.08127	10.6
363.09247	3.0
387.06778	0.4
454.19608	1.0
471.37354	1.0
472.17383	6.6
473.16364	0.6
473.23471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
56.05006	0.4
57.03431	1.0
60.04515	0.6
68.99799	0.6
69.03434	4.1
69.12247	1.4
69.12648	0.9
70.06574	0.6
71.36587	0.4
73.02917	0.7
74.06078	1.5
74.99026	0.3
81.03421	1.8
83.05006	0.4
85.02908	9.9
87.00825	30.1
87.04456	2.9
91.05498	0.5
97.02889	100.0
98.03236	0.6
98.06043	1.5
104.16369	0.4
105.01865	12.9
109.02899	0.9
111.04438	0.5
115.03933	3.4
116.07092	0.7
121.06484	0.4
126.05533	2.7
127.03931	1.0
133.04979	0.5
139.03899	1.1
143.03397	0.5
144.06537	3.0
145.04936	0.5
151.55534	0.4
155.03387	0.6
161.09702	0.4
162.07663	0.4
162.09085	0.8
201.03935	37.9
202.04195	0.4
203.67615	0.5
208.09605	1.0
209.04471	0.5
219.04988	14.3
236.07675	1.4
265.11816	1.3
275.09061	0.6
300.01285	0.4
319.10132	0.6
319.62558	0.4
345.08145	9.3
363.09225	3.0
432.16776	0.4
471.37277	0.7
472.17023	3.6
473.16119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3057
Annotation	(-)-4,6'-Anhydrooxysporidinone
Peak:m/z	Relative Intensity
54.03473	0.7
55.05510	1.6
65.03962	0.8
67.05516	2.8
68.05043	0.9
69.07072	1.4
69.88335	2.0
76.91711	0.6
76.95041	0.6
79.05500	2.2
79.29533	0.6
80.05041	0.8
81.07071	1.8
91.05494	1.3
94.06569	14.6
95.04955	2.9
95.08619	0.8
96.04514	0.9
107.04977	2.3
108.04491	1.0
109.06479	0.7
109.10184	0.7
110.06032	3.2
111.02183	0.5
111.03179	0.7
111.04433	0.7
112.03992	1.1
113.28877	0.6
119.08612	1.0
121.06497	1.8
121.10173	0.7
122.06027	20.2
123.04435	7.1
123.08077	0.7
124.03966	12.8
124.05223	1.3
124.07597	1.3
125.04720	6.7
125.06027	2.4
126.05537	5.5
126.06369	1.0
132.04416	0.7
133.06482	1.4
134.06023	0.8
134.06917	0.7
135.08046	0.8
136.07637	1.1
137.05983	17.3
137.07004	0.9
138.05467	6.4
138.06337	1.1
139.03934	0.6
139.06305	3.0
139.07561	4.2
140.03458	1.9
140.07054	12.1
141.04274	0.9
141.05478	0.7
146.06039	1.2
147.08066	0.8
148.03891	0.8
150.05444	1.3
151.07538	5.8
152.03433	7.5
152.07066	6.3
152.08040	0.6
153.04298	0.9
153.05521	3.2
153.93446	0.5
154.04889	1.4
155.05826	2.4
156.06566	1.0
160.07584	1.5
161.06039	1.1
162.05499	1.2
163.07510	5.4
164.07146	2.1
166.04950	1.1
167.05807	1.9
168.06558	37.9
175.07561	1.0
176.06966	0.8
177.05531	1.7
177.09151	3.2
178.05746	0.6
178.08539	3.5
179.07043	3.0
180.07465	1.2
182.08180	1.7
189.09143	0.6
192.10187	4.0
196.42929	0.6
221.07437	0.6
260.57480	0.6
276.15897	0.6
384.29120	0.7
412.28510	1.1
422.27072	1.2
423.27371	0.6
440.28018	1.6
444.31134	5.5
454.29977	6.1
455.28476	1.3
472.30664	100.0
473.30978	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	472.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05500	2.3
57.07077	52.6
67.05500	2.3
69.07069	2.0
69.77717	3.9
73.02917	90.0
81.07050	4.0
87.04464	3.2
89.06032	36.7
90.51369	1.3
91.05463	7.6
93.07045	15.1
95.04967	4.6
95.08585	2.4
99.08099	1.3
99.14825	1.2
103.05468	3.0
105.04491	2.3
105.07003	1.9
107.08578	2.8
109.06551	1.9
117.07006	2.0
118.07800	2.2
119.04966	2.6
119.08606	2.9
121.06503	47.8
121.10112	2.5
125.05972	2.6
133.07605	1.9
133.08598	24.3
133.10106	1.7
135.08061	2.6
135.11633	2.1
139.07422	1.9
147.08066	6.5
149.09554	1.6
154.05772	1.5
155.21185	1.4
165.09108	22.8
167.07013	1.8
177.11206	4.2
177.12634	2.2
180.11458	1.3
199.16997	3.2
205.10728	2.1
209.11720	12.6
227.12708	2.1
233.19026	9.8
250.51332	1.3
270.72644	1.5
277.21561	8.9
315.18021	100.0
316.18347	2.9
321.24222	3.7
343.17429	2.8
394.29495	1.4
427.30518	22.6
472.32584	27.9
472.43729	4.3
474.22760	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03236	1.0
55.05528	1.5
57.07075	83.4
58.07405	14.1
67.05508	1.5
71.08617	1.2
75.03032	1.0
77.03922	2.5
79.05473	1.4
87.04477	10.2
88.04806	1.7
89.06032	100.0
90.06364	20.1
91.05473	9.2
92.05806	3.1
93.07039	13.3
94.06557	3.3
94.07373	4.7
95.04971	6.2
96.05261	1.3
103.05461	3.6
104.05743	1.7
105.04505	3.6
105.07018	2.1
107.07030	2.3
107.08578	2.4
111.96652	1.0
112.86706	1.1
118.07793	4.3
119.04930	3.8
119.08603	3.4
120.05328	1.6
120.08938	1.6
121.05614	2.5
121.06503	52.1
122.06027	3.1
122.06826	22.4
123.04424	3.1
124.03915	3.8
125.04730	2.4
125.05985	1.6
133.08607	57.6
134.08932	14.5
135.07999	3.2
136.08427	1.4
137.05972	6.7
138.05470	2.1
138.06351	1.2
139.07533	2.5
140.07030	3.1
147.08049	11.2
148.08405	5.6
149.09624	1.8
150.06741	1.5
151.07420	1.3
152.07065	2.7
157.74557	1.1
159.11633	1.8
163.07477	2.6
165.09120	28.8
166.09441	17.4
167.05789	1.3
167.10753	1.8
168.06525	10.8
177.11240	15.2
178.11589	6.5
179.06973	1.7
209.11731	13.6
210.12076	9.1
223.56454	1.0
233.18936	8.9
234.19356	15.3
260.21021	1.3
271.15356	3.7
272.15781	3.1
277.21616	14.1
278.21951	25.5
315.18018	14.7
316.18280	3.0
321.23944	1.7
322.24396	3.0
352.74072	1.1
359.20660	8.7
360.20981	26.8
427.30661	9.2
444.31055	1.5
454.29236	1.6
470.96460	1.3
472.30347	24.0
472.36282	14.4
473.30695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80793	0.6
52.74915	0.6
55.01851	1.3
55.05490	2.8
57.03189	0.6
57.03440	6.0
57.07066	1.4
58.06600	26.7
59.07381	10.7
60.08162	9.2
67.05490	3.2
69.07061	3.2
71.43997	0.7
71.44409	1.0
73.02903	0.8
75.04488	4.9
79.05478	1.6
81.07059	3.9
83.08601	3.0
85.02873	2.6
87.04463	5.0
93.07037	1.9
95.08586	2.5
97.10146	0.9
98.39703	0.6
103.03951	0.8
105.05527	0.9
107.04956	0.7
109.10111	0.7
110.06021	2.2
121.06464	0.8
121.10121	0.9
123.04458	3.8
131.07040	2.0
137.05934	1.4
138.05472	2.0
141.05466	1.1
144.10211	8.3
149.05968	2.3
152.04636	1.3
153.05463	1.3
153.16174	0.7
162.11238	4.8
163.07565	1.2
169.04939	2.9
207.59810	0.6
229.51329	0.6
236.14915	100.0
237.15187	1.4
410.36087	0.9
454.28903	1.4
454.35291	20.5
455.35931	1.0
472.30695	4.2
472.36310	77.1
473.25162	3.4
473.36499	3.7
475.49506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1081
Annotation	Egcg3''me
Peak:m/z	Relative Intensity
53.00315	1.2
55.01860	0.5
55.05519	0.7
57.03444	1.8
61.02925	0.7
65.03940	3.6
67.05520	0.6
67.85715	0.3
68.99796	0.7
69.03425	0.7
69.09566	0.9
69.09964	0.6
71.01350	0.7
73.02921	3.3
81.03408	1.0
83.05000	0.6
85.02897	0.6
90.75433	0.3
91.05466	0.6
93.03408	1.0
93.07043	0.4
95.04963	0.5
95.08604	0.5
107.04999	0.4
111.00835	0.5
111.04450	2.3
114.44962	0.3
115.03905	0.7
121.02877	2.0
121.10122	0.3
122.03649	0.6
123.04430	4.0
124.01566	0.6
125.02351	0.5
125.05973	0.3
127.03917	0.5
129.07066	0.4
131.04919	0.4
137.05968	7.8
139.03897	100.0
140.04236	2.0
140.78893	0.2
141.07007	0.3
149.05997	0.9
151.03906	11.4
151.07570	0.8
152.01031	1.1
153.05478	0.5
157.04967	5.0
159.56911	0.3
163.03926	3.7
167.03389	38.5
168.03680	0.5
174.06755	0.3
175.07524	0.4
177.05502	0.4
179.06998	0.5
186.06755	0.3
187.03899	0.5
187.07500	2.1
189.09181	0.5
198.75693	0.3
199.07486	0.3
201.09113	1.4
205.04909	3.1
207.13725	0.4
210.04813	0.3
217.08517	1.1
229.04852	0.3
253.04993	0.3
271.05963	0.7
271.09381	0.5
279.10208	0.5
289.06918	4.6
291.10074	0.3
296.10397	0.4
302.28717	0.3
307.07971	0.4
311.07281	0.3
311.12622	1.1
311.18188	0.4
323.12640	1.5
325.14178	0.9
341.13641	1.0
462.38535	0.3
473.09201	2.1
473.23972	7.2
473.34189	0.3
494.21188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1423
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
52.68322	1.1
55.01858	1.1
58.13417	0.9
61.28669	1.0
61.78520	1.0
69.58801	2.3
69.76471	1.2
85.02874	1.7
86.09686	1.3
91.05494	1.1
97.02869	2.6
98.06060	1.7
98.97573	3.0
116.98558	1.4
119.08583	1.1
120.08060	1.0
126.05520	6.5
127.05831	3.5
139.03860	2.8
144.06532	4.7
145.06909	1.3
168.06610	1.5
177.00731	1.2
207.13658	1.6
219.01772	1.1
314.11938	1.3
409.05090	1.4
429.15332	6.2
455.05948	1.8
455.13165	6.8
455.18762	1.1
473.14136	100.0
473.23343	12.8
474.14432	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	473.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43647	1.8
67.05488	2.2
68.99789	1.8
69.03420	4.8
69.07056	2.1
72.36806	2.2
73.02938	2.3
81.03419	4.4
85.02903	14.2
85.62630	1.7
87.00819	6.3
91.05475	3.1
92.10942	2.2
93.07074	2.5
97.02866	5.0
99.04420	2.6
105.01885	3.1
109.02892	4.3
109.49184	1.9
111.86647	1.9
119.08594	1.8
119.92857	1.8
125.05962	3.9
127.03896	6.0
129.01808	3.4
137.05920	2.5
139.03856	2.7
145.04968	3.8
151.07535	62.3
153.05479	4.3
159.02824	2.1
163.07588	3.3
165.09114	15.2
169.77988	2.0
175.07550	22.0
177.09135	3.9
189.09099	6.7
193.08656	5.8
205.12257	3.0
207.13779	36.5
217.08591	8.6
225.14818	5.2
231.13855	14.3
243.13667	5.2
245.15395	2.8
249.14822	9.3
273.14874	10.0
297.14877	4.9
315.15799	4.4
317.08429	27.7
363.10849	2.2
368.63788	2.0
429.20932	2.0
453.75656	1.8
473.19971	100.0
473.27185	15.8
474.20160	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01880	3.5
55.05507	1.5
57.03434	3.1
57.07074	4.2
58.17829	1.1
60.73948	1.2
61.02924	7.2
67.05495	2.3
68.99789	7.2
69.03426	8.8
69.07069	6.1
69.35603	1.1
71.01350	1.2
71.05001	1.5
73.02917	2.1
79.05508	1.8
80.06217	1.4
81.03415	8.3
81.07069	2.3
85.02901	24.0
85.06542	3.1
87.00837	11.3
91.05505	5.6
93.07057	2.7
97.02921	6.4
98.97602	1.3
99.04454	3.5
100.57166	1.6
102.96884	1.6
103.03960	3.7
105.01884	5.2
105.07037	4.5
107.04917	1.3
109.02894	5.4
109.10175	1.4
111.04460	3.0
115.05470	1.5
117.07006	3.6
121.06498	3.4
123.04448	1.3
123.08100	2.4
127.03915	9.4
129.01833	8.8
129.07024	4.1
131.08565	3.4
133.06454	1.3
133.10139	1.3
135.04451	4.7
135.08043	2.6
136.05215	2.5
137.09666	1.2
139.07547	3.5
143.08568	2.5
145.04980	3.9
145.06473	5.8
145.16678	1.2
147.02861	6.5
147.08063	2.0
149.09641	2.4
151.07542	100.0
152.07889	1.6
153.05537	1.5
157.06549	1.6
158.07310	1.8
159.02910	3.4
159.08052	3.8
160.05217	2.6
161.06039	2.9
161.09628	9.1
162.06802	2.1
163.07582	2.2
165.09113	13.0
171.07962	1.3
171.11714	1.7
172.05164	1.3
172.08818	1.3
173.09657	3.2
174.06757	6.4
175.07541	86.1
176.08174	4.1
177.09094	19.0
185.09576	2.2
187.07616	3.2
188.08269	9.9
188.12111	1.9
189.03967	1.6
189.05525	2.5
189.09084	20.7
190.09985	1.4
191.10718	3.8
193.08690	3.2
199.07587	1.8
199.11214	2.0
201.09155	5.2
201.12743	2.4
202.09764	2.5
203.06970	2.4
203.10681	4.0
203.14424	4.8
204.07841	4.8
205.08540	2.8
205.12337	1.7
207.13811	23.3
207.15782	1.2
212.08366	1.8
213.09169	4.8
214.09819	1.4
215.07050	4.9
215.10590	2.0
216.11449	1.5
217.08611	35.8
217.12250	3.9
218.09123	1.4
219.13794	6.7
225.09172	2.4
225.11208	17.9
225.14786	7.6
227.10780	1.4
229.08760	2.4
229.12189	7.1
231.04947	1.6
231.10127	3.9
231.13797	59.8
232.14154	3.1
233.51801	1.2
235.13277	6.3
241.08636	4.0
241.12177	1.6
243.10175	1.4
243.13799	7.7
245.15317	3.1
247.09752	3.1
247.13338	1.5
249.14871	24.8
249.17265	2.0
255.13792	1.2
257.15405	1.5
259.09695	6.9
259.13605	1.5
261.14798	2.4
269.15363	5.0
273.14841	35.1
274.15027	1.4
277.10748	2.4
291.15909	6.7
297.14850	15.4
315.15891	28.8
333.16702	1.9
363.10706	8.8
401.15894	1.3
419.17023	3.7
437.21594	2.5
473.19092	16.6
473.26749	2.2
474.19370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01880	3.5
55.05507	1.5
57.03434	3.1
57.07074	4.2
58.17829	1.1
60.73948	1.2
61.02924	7.2
67.05495	2.3
68.99789	7.2
69.03426	8.8
69.07069	6.1
69.35603	1.1
71.01350	1.2
71.05001	1.5
73.02917	2.1
79.05508	1.8
80.06217	1.4
81.03415	8.3
81.07069	2.3
85.02901	24.0
85.06542	3.1
87.00837	11.3
91.05505	5.6
93.07057	2.7
97.02921	6.4
98.97602	1.3
99.04454	3.5
100.57166	1.6
102.96884	1.6
103.03960	3.7
105.01884	5.2
105.07037	4.5
107.04917	1.3
109.02894	5.4
109.10175	1.4
111.04460	3.0
115.05470	1.5
117.07006	3.6
121.06498	3.4
123.04448	1.3
123.08100	2.4
127.03915	9.4
129.01833	8.8
129.07024	4.1
131.08565	3.4
133.06454	1.3
133.10139	1.3
135.04451	4.7
135.08043	2.6
136.05215	2.5
137.09666	1.2
139.07547	3.5
143.08568	2.5
145.04980	3.9
145.06473	5.8
145.16678	1.2
147.02861	6.5
147.08063	2.0
149.09641	2.4
151.07542	100.0
152.07889	1.6
153.05537	1.5
157.06549	1.6
158.07310	1.8
159.02910	3.4
159.08052	3.8
160.05217	2.6
161.06039	2.9
161.09628	9.1
162.06802	2.1
163.07582	2.2
165.09113	13.0
171.07962	1.3
171.11714	1.7
172.05164	1.3
172.08818	1.3
173.09657	3.2
174.06757	6.4
175.07541	86.1
176.08174	4.1
177.09094	19.0
185.09576	2.2
187.07616	3.2
188.08269	9.9
188.12111	1.9
189.03967	1.6
189.05525	2.5
189.09084	20.7
190.09985	1.4
191.10718	3.8
193.08690	3.2
199.07587	1.8
199.11214	2.0
201.09155	5.2
201.12743	2.4
202.09764	2.5
203.06970	2.4
203.10681	4.0
203.14424	4.8
204.07841	4.8
205.08540	2.8
205.12337	1.7
207.13811	23.3
207.15782	1.2
212.08366	1.8
213.09169	4.8
214.09819	1.4
215.07050	4.9
215.10590	2.0
216.11449	1.5
217.08611	35.8
217.12250	3.9
218.09123	1.4
219.13794	6.7
225.09172	2.4
225.11208	17.9
225.14786	7.6
227.10780	1.4
229.08760	2.4
229.12189	7.1
231.04947	1.6
231.10127	3.9
231.13797	59.8
232.14154	3.1
233.51801	1.2
235.13277	6.3
241.08636	4.0
241.12177	1.6
243.10175	1.4
243.13799	7.7
245.15317	3.1
247.09752	3.1
247.13338	1.5
249.14871	24.8
249.17265	2.0
255.13792	1.2
257.15405	1.5
259.09695	6.9
259.13605	1.5
261.14798	2.4
269.15363	5.0
273.14841	35.1
274.15027	1.4
277.10748	2.4
291.15909	6.7
297.14850	15.4
315.15891	28.8
333.16702	1.9
363.10706	8.8
401.15894	1.3
419.17023	3.7
437.21594	2.5
473.19092	16.6
473.26749	2.2
474.19370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.05507	4.5
57.03448	4.8
59.04980	2.6
65.91876	2.4
67.05518	12.3
69.03445	14.8
69.07070	6.1
69.27395	14.0
71.05000	4.7
73.02924	3.5
74.56280	2.3
79.05495	4.0
81.03426	19.6
81.07054	4.9
83.05003	2.7
85.02906	20.7
87.00831	12.4
87.32977	2.0
91.05466	12.0
93.07042	6.6
95.08613	78.7
97.02885	11.2
99.04436	5.1
101.15417	2.4
105.01873	4.7
105.07030	22.3
107.08622	7.2
109.02879	8.3
109.06534	5.6
109.10176	5.4
117.06979	2.8
119.08578	47.8
121.06506	3.4
121.10159	16.2
123.08095	14.1
127.03936	12.4
131.08633	2.6
133.06485	9.2
133.10109	24.2
135.11700	67.4
137.09575	12.1
137.13220	8.3
139.03905	3.3
145.04977	4.4
145.38460	2.7
147.08051	3.9
147.11691	36.7
149.09637	21.8
151.07547	10.8
159.02928	4.5
159.11737	3.1
160.08931	2.6
161.11885	5.6
161.13258	100.0
162.13541	3.1
165.12749	2.8
171.11690	5.5
174.10466	7.6
179.14317	7.7
189.12759	80.9
207.13805	71.0
225.14784	4.4
252.96852	2.3
297.13022	4.7
473.16196	47.2
473.23428	36.5
474.16348	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.0
53.03932	0.6
53.54303	0.4
55.01865	1.0
55.05499	1.8
57.03432	0.6
57.07061	1.3
61.02911	0.4
63.72323	0.4
65.03943	3.9
67.05504	7.3
68.99786	0.8
69.03429	2.4
69.07075	0.7
69.44961	0.8
69.45345	0.9
73.02905	1.2
79.05464	0.7
81.03409	1.7
81.07024	0.6
83.04978	1.0
85.02911	3.6
85.06544	3.9
87.00841	2.2
91.05487	1.6
92.80466	0.4
93.03384	1.4
93.07047	3.0
95.04959	1.4
95.08605	31.2
97.02895	2.2
98.22652	0.7
105.01865	3.2
105.07016	1.8
107.08599	2.2
109.02862	1.5
109.06532	0.9
109.10173	0.7
111.04434	1.7
113.06009	4.6
119.04944	0.5
119.08576	4.8
121.02866	2.3
121.10130	2.4
123.04452	4.0
123.08067	10.1
123.11708	0.7
124.01524	0.7
127.03896	3.1
129.06999	0.4
131.08528	0.7
133.06372	0.4
133.10143	1.0
135.11703	5.1
137.05930	1.2
137.09602	1.8
139.03894	100.0
140.04216	1.6
145.04919	1.1
146.07256	0.9
147.08069	0.6
147.11682	1.8
149.05968	0.7
149.09612	12.2
149.47423	0.4
150.09923	0.4
151.02692	0.6
151.03914	10.2
151.07478	0.9
151.14799	1.0
152.01007	2.7
157.04939	4.1
159.08018	0.5
161.09573	1.4
161.13234	4.2
163.03923	2.5
163.11134	2.0
165.12737	2.0
167.03384	39.0
168.03722	1.3
171.11693	0.6
174.30867	0.5
179.07178	0.5
179.14375	1.1
187.07527	0.8
189.09087	1.4
189.12723	5.9
190.09439	1.1
205.04984	2.1
207.13795	24.9
208.14050	0.8
262.03391	0.5
271.05911	0.6
272.19101	0.4
283.11578	0.4
289.07016	4.7
300.04202	0.4
305.06320	0.5
343.08667	0.4
385.05078	0.5
473.15906	2.9
473.23322	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01885	1.9
55.05512	5.0
57.03443	1.6
57.07076	1.6
61.02932	2.5
65.03908	2.4
67.05505	10.5
69.03431	15.0
69.07072	7.6
69.19482	7.9
71.05002	4.4
73.02899	2.3
79.05505	4.7
81.03414	13.1
81.07069	6.5
83.04973	1.9
85.02901	19.4
85.06515	1.6
86.09724	3.0
87.00827	7.0
91.05476	10.0
93.07031	9.7
93.74360	1.5
95.04986	2.7
95.08607	69.1
96.08926	1.8
97.02891	12.0
98.23440	2.9
99.04444	4.0
103.05431	1.6
104.87861	1.4
105.01869	5.1
105.07025	23.4
107.08598	10.0
109.02873	11.4
109.06523	5.8
109.10135	7.1
111.04449	1.8
115.03919	2.3
119.04929	1.6
119.08573	46.2
120.09364	2.1
121.06532	2.4
121.10146	20.2
123.08056	13.4
127.03918	13.7
130.07616	1.3
131.08595	3.1
133.06491	8.3
133.10123	21.2
135.11688	68.4
137.05998	4.6
137.09621	9.1
137.13254	8.2
139.03938	9.7
143.08580	2.5
145.04974	5.2
145.10141	4.0
146.10896	1.4
147.08037	6.0
147.11673	32.6
149.09618	29.0
151.03923	2.2
151.07578	7.7
151.11288	1.5
153.05489	2.8
155.07033	1.7
156.09357	4.4
159.02948	1.6
159.08066	3.0
159.11758	1.9
161.09628	2.4
161.13258	100.0
162.13589	2.7
163.03925	2.9
163.11194	2.5
165.12762	2.8
167.07040	7.1
168.07370	3.3
171.11679	5.7
172.74304	1.5
173.08090	5.9
174.10426	6.3
179.14259	6.8
189.12744	75.4
191.03244	1.3
205.04903	2.0
207.13795	71.5
208.14197	2.9
223.06528	1.9
224.76794	1.3
225.14841	9.6
231.04871	2.1
252.05725	1.8
311.18387	2.2
324.33502	1.6
375.17969	1.6
380.64536	1.6
429.20920	2.3
456.12289	4.5
473.15341	13.9
473.24130	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01869	3.6
55.05512	7.1
55.23696	1.3
57.03439	3.7
57.07059	2.1
59.56958	1.4
61.02908	1.6
67.05502	8.1
69.03428	16.8
69.07066	5.9
69.67419	4.7
71.01344	1.4
71.04978	4.6
72.54043	1.6
73.02911	1.7
79.05498	5.4
81.03424	16.0
81.07053	8.7
83.04978	2.7
84.04529	1.5
85.02906	22.2
85.06573	2.6
86.09669	2.2
87.00839	8.9
91.05486	11.9
93.07040	10.5
95.04958	1.6
95.08609	79.6
97.02893	15.4
97.06573	1.6
99.04443	7.2
105.01881	3.2
105.07024	23.0
105.07668	2.6
107.04951	2.4
107.08596	9.7
109.02231	2.0
109.02876	12.1
109.06514	3.8
109.10152	7.3
111.04465	2.7
117.01920	1.6
117.06981	1.5
117.94214	1.3
119.04959	1.7
119.08578	48.5
121.06525	3.9
121.10165	17.1
123.08069	13.8
127.03915	13.3
131.08594	5.7
133.06503	9.9
133.10118	27.7
135.08121	1.9
135.11694	69.7
136.12010	2.1
137.05925	3.5
137.09644	7.9
137.13255	5.9
139.03874	11.8
140.04243	2.3
143.08604	2.5
145.04947	3.0
145.10123	3.4
146.10918	2.0
147.08054	6.0
147.09120	1.9
147.11694	30.8
149.09634	26.3
151.07536	7.3
153.05463	2.5
156.09297	2.7
159.02864	2.0
159.08049	2.9
161.09642	2.3
161.13258	100.0
162.13586	2.4
163.03949	2.2
163.11156	1.8
165.12724	3.6
167.03380	2.3
167.07086	4.5
171.11685	5.7
173.06236	1.6
173.08136	3.3
174.10435	5.3
179.14305	5.6
189.12738	72.1
207.13800	62.2
207.15799	1.4
208.14156	2.6
225.14906	5.6
231.05157	2.2
297.09744	1.4
298.28497	1.5
311.18188	1.9
390.12772	1.7
429.20850	2.3
456.12097	5.3
473.14792	5.7
473.24149	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2303
Annotation	(-)-11,12-Dimethoxy-N-methoxycarbonyl-kopsinaline
Peak:m/z	Relative Intensity
56.68253	8.4
59.68092	9.7
69.14447	22.8
69.14852	40.2
81.07036	10.1
90.22678	8.7
98.23565	15.5
137.05949	12.7
151.07516	9.6
153.88910	10.0
167.07101	10.8
473.22791	100.0
473.33994	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	473.2901
Annotation	Surinone A
Peak:m/z	Relative Intensity
53.03942	0.4
55.05515	2.6
57.07087	0.6
57.09136	0.4
65.03935	1.4
65.17734	0.4
67.05500	4.4
68.06927	0.4
68.99774	1.0
69.03452	0.6
69.07054	2.3
69.34907	2.1
77.03931	0.5
79.05495	3.4
81.06603	0.7
81.07053	3.7
82.04188	1.1
83.04977	0.7
83.08620	0.9
91.05482	3.0
93.03434	0.5
93.07040	2.1
95.04414	0.6
95.04965	4.5
95.08598	3.7
97.06524	4.3
97.10163	0.8
103.05459	1.1
105.03439	0.7
105.04510	0.6
105.07045	2.1
106.76101	0.5
107.04965	2.7
107.08604	1.4
109.06530	3.2
109.10162	1.4
110.03663	1.5
111.04425	3.0
111.08099	1.3
115.05486	0.5
117.07021	1.2
119.08572	1.3
121.06502	4.8
121.10112	1.5
123.04424	11.9
123.08083	1.7
123.11695	0.6
125.05987	73.9
126.03152	1.1
126.06335	1.0
129.07031	0.5
131.08582	0.6
133.06482	2.2
133.10065	0.8
135.08046	1.7
135.11728	0.6
137.05975	26.3
137.09566	0.7
139.03893	5.1
139.07529	3.8
140.04694	0.5
141.05446	1.9
143.08572	0.7
145.06514	1.0
145.10216	0.8
147.04384	1.2
147.08038	1.2
147.11720	0.5
149.05995	3.0
149.09578	1.7
151.04996	0.7
151.07541	7.8
153.05463	100.0
154.05934	1.4
159.08078	0.6
159.11674	0.6
161.05975	4.7
162.06616	0.7
163.06200	0.9
163.07539	15.1
165.05504	1.0
165.09128	0.7
167.07034	8.3
175.07564	2.0
177.05406	0.4
177.09094	12.9
179.07034	4.4
181.08611	0.7
189.09142	0.7
191.10701	1.4
193.08598	3.6
198.51360	0.4
203.10675	0.6
209.27589	0.5
224.97490	0.4
257.08148	0.7
273.07614	2.0
283.09747	0.6
297.11243	0.6
315.23160	1.3
321.24271	0.6
329.09677	0.5
333.24136	1.0
405.24020	0.6
423.25363	2.4
427.28229	1.0
437.26852	3.4
441.26373	13.9
455.27954	13.6
455.34354	0.9
456.28171	0.9
473.28751	8.0
473.34433	4.3
474.28958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52302	0.3
53.03943	0.4
55.01868	0.6
55.05522	1.7
57.07071	0.4
57.37248	0.3
59.13927	0.3
65.03939	1.6
66.04744	0.3
66.86896	0.3
67.05504	4.1
68.99792	1.0
69.03430	0.7
69.07069	2.4
70.70414	0.3
70.70743	0.3
75.10301	0.2
76.50687	0.3
77.03917	0.4
79.05479	2.6
81.07057	2.8
82.04224	0.9
83.04982	0.5
83.08612	0.5
89.06065	0.3
91.05479	2.6
93.03391	0.7
93.07044	1.2
94.04194	0.7
95.04971	3.5
95.08623	2.0
97.06538	3.6
97.10159	0.6
103.05449	0.9
105.03415	0.7
105.04514	0.4
105.07023	1.2
107.04942	2.8
107.08597	0.4
109.06516	2.9
109.10147	0.7
110.03669	1.9
111.04431	3.7
111.11696	0.3
115.05454	0.7
117.07005	0.9
119.04918	0.4
119.08569	0.6
121.06516	4.7
121.10174	0.6
123.04428	10.4
123.08058	1.2
124.05284	0.5
125.05991	69.3
126.03127	1.2
126.06355	1.2
131.04922	0.7
131.08513	0.6
133.06471	2.2
135.04407	0.6
135.08046	2.3
137.05974	24.6
138.06335	0.8
139.03889	5.1
139.07532	3.5
140.04683	0.8
141.05449	1.6
145.06488	1.0
146.07220	0.4
147.04414	1.2
147.08046	1.4
149.05984	3.8
149.09605	1.0
151.03940	0.4
151.05029	0.8
151.07541	7.7
152.04695	0.8
153.05466	100.0
154.06046	2.5
155.07095	0.6
159.08078	0.5
161.05978	4.7
161.09648	0.7
162.06743	0.5
163.07545	15.0
164.07709	0.3
165.05446	1.5
165.09132	1.3
166.06148	0.3
167.07033	7.6
175.07567	2.0
177.05678	0.7
177.09106	13.1
178.09457	0.4
179.07030	4.7
181.08627	0.4
189.09111	1.0
191.10721	1.7
193.08606	3.5
194.08902	0.4
201.46590	0.3
203.10664	0.7
205.12260	1.9
207.10258	0.6
216.68408	0.3
217.12259	0.3
257.08145	0.7
271.09546	0.4
273.07483	1.7
283.09659	0.5
301.21591	0.6
315.23096	1.9
321.24222	0.7
333.24152	1.1
405.24271	0.4
413.26779	0.4
423.25253	2.0
427.65479	0.3
437.26804	2.9
441.26352	13.2
442.26675	1.1
445.18991	0.3
455.27881	13.7
456.27994	0.9
473.28802	9.2
473.34412	1.0
474.29239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2901
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
53.03938	1.6
53.78651	0.8
55.01870	2.2
55.05509	6.7
56.96565	1.5
57.03433	2.3
57.07074	8.9
57.78148	0.8
65.03941	2.7
66.36858	0.9
67.05505	9.5
68.79616	0.7
68.99804	1.7
69.07066	5.2
71.08629	3.8
79.01835	0.9
79.05493	5.6
81.03425	1.1
81.07063	8.0
83.01344	1.3
83.04943	1.3
83.08608	2.7
85.02893	1.4
87.04413	0.9
89.06007	1.3
91.05491	4.7
93.03437	2.0
93.07050	4.3
95.04967	9.0
95.08628	5.4
97.06515	1.2
97.10161	1.6
98.23500	2.2
103.05460	1.0
105.04478	1.2
105.07032	2.9
105.09981	0.8
107.04989	5.8
107.08607	2.1
108.05643	0.9
109.02815	1.0
109.06521	3.2
109.10143	2.0
110.03567	1.0
111.04443	3.5
111.08094	1.2
115.51303	0.9
117.07058	1.6
119.04932	2.1
119.08575	2.5
121.06486	8.6
121.10153	1.4
123.04431	23.7
123.08051	1.3
124.05249	1.6
125.02370	5.5
125.05976	15.0
126.03141	7.1
127.03923	3.3
131.08565	1.8
132.75850	0.9
133.06497	2.0
135.04411	2.1
135.08072	2.8
136.93106	3.7
136.94037	1.6
137.05978	57.4
139.03900	26.3
139.07533	23.3
141.05455	25.8
145.06505	1.4
147.04317	2.0
149.02339	5.6
149.06003	3.0
149.09657	1.4
151.03874	0.9
151.07541	13.8
153.01839	10.0
153.05455	7.4
154.02597	4.1
154.94165	6.9
155.01186	1.0
155.03365	9.5
159.08069	1.0
161.05988	4.5
163.03889	12.1
163.07515	7.8
165.05455	2.2
166.02580	1.0
167.03377	9.4
167.06989	1.5
168.04147	1.4
169.04958	75.5
170.05394	1.1
172.95239	8.2
173.09650	1.0
175.07545	1.8
177.05484	5.9
177.09128	7.8
179.07024	5.1
181.05009	1.2
190.96339	1.3
191.07043	3.3
191.10674	1.8
193.08658	7.0
195.06635	1.4
205.08696	1.4
210.96837	1.9
219.10269	0.9
228.97797	4.9
243.06514	2.1
257.08115	3.4
259.06097	2.3
273.07599	2.6
301.10376	1.0
319.19455	1.5
337.20517	3.1
413.26807	3.2
423.25119	8.8
437.27087	1.1
441.26297	18.8
445.29300	4.5
455.18976	2.3
455.27823	11.2
455.33649	1.2
456.28116	1.2
473.19852	11.9
473.28989	100.0
474.29242	5.0
496.21909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.345
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67781	0.6
64.32409	0.5
125.05981	2.0
137.06007	0.9
153.05453	2.7
160.49033	0.5
177.08994	0.5
207.98718	0.5
334.84451	0.5
342.48352	0.6
473.34494	100.0
474.35059	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	473.3629
Annotation	3alpha,21beta,24-Trihydroxyserrat-14-en-16-one
Peak:m/z	Relative Intensity
53.43816	1.5
55.05510	4.9
56.88924	1.5
57.07061	3.6
63.70704	1.6
67.05501	7.6
69.07069	5.8
70.06590	1.9
70.21987	3.1
73.02900	2.2
79.05489	6.0
81.07055	9.2
83.08604	4.1
85.06585	1.8
88.07645	2.0
89.06023	4.2
91.05492	6.0
93.07040	11.5
95.04987	5.7
95.08611	20.0
97.06509	1.8
99.08084	1.5
105.07012	9.8
107.08599	21.8
109.06521	3.0
109.10154	19.8
119.08584	20.4
121.06518	2.7
121.10149	25.2
123.08112	4.4
123.11707	8.6
131.08595	4.7
133.08618	3.7
133.10126	19.3
135.08054	3.4
135.11693	12.8
137.13258	2.6
142.88426	1.3
143.08548	3.2
145.10118	13.7
147.07971	1.5
147.11661	7.9
149.09610	2.8
149.13304	5.8
157.10132	3.5
159.08118	2.3
159.11717	11.2
161.09663	4.3
161.13257	14.9
163.11282	1.5
163.14783	3.0
169.10159	2.6
171.11668	3.6
173.09634	3.1
173.13271	7.3
175.11205	3.2
175.14822	16.5
177.11229	3.3
177.12709	3.6
177.16441	10.4
183.11745	2.7
185.13264	4.8
187.11256	2.7
187.14798	17.2
189.12755	3.1
189.16389	7.4
193.15903	1.7
195.11845	1.7
197.13307	1.7
199.14857	3.0
200.20122	3.9
201.12727	2.0
201.16438	3.8
203.14336	5.4
203.18066	2.1
213.16443	3.3
215.14316	18.7
215.17943	3.5
215.57869	1.5
223.14775	2.3
225.16374	1.9
229.15880	2.0
231.17577	4.7
239.18025	2.0
243.17442	2.4
249.18640	2.0
255.20993	1.8
256.26303	8.0
259.16943	2.0
261.18484	4.5
265.19604	4.6
283.20557	3.4
381.28177	1.9
391.33386	1.9
395.29340	1.8
401.32104	2.6
409.34454	3.6
419.32983	16.0
434.11783	1.7
437.34131	100.0
438.34668	6.5
455.35214	71.7
456.35629	5.4
473.29572	3.8
473.36298	51.9
474.36636	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	474.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01843	0.8
57.03412	0.5
57.07045	1.1
58.83195	0.3
59.04961	0.4
61.02911	0.5
62.72017	0.3
67.05479	1.0
67.16470	0.3
68.99775	0.4
69.03425	2.4
71.04992	19.6
71.38530	0.2
71.45780	0.3
72.05305	0.3
73.02900	0.8
79.05477	0.3
81.03408	2.8
85.02417	0.4
85.02904	8.3
85.06512	1.1
87.00347	0.3
87.00829	2.8
89.05989	0.3
91.03942	0.3
97.02879	3.3
99.04430	1.0
105.01878	1.9
105.06979	0.4
107.04965	1.4
108.20615	0.3
109.02880	2.2
117.01859	0.5
118.36266	0.3
121.06517	2.0
123.04382	0.7
124.05183	0.5
125.05985	1.6
127.03028	0.5
127.03922	5.9
129.01842	0.4
131.08553	0.7
135.04362	0.3
135.08034	0.7
137.05960	4.8
138.06711	0.3
139.03876	0.7
139.07544	21.3
140.07854	0.5
145.04968	3.8
149.05972	0.7
151.07481	0.5
153.05414	0.7
159.02893	2.2
159.07988	0.7
161.05977	0.9
162.06744	0.8
163.07552	4.2
163.11124	0.9
164.07965	0.3
165.09122	0.4
167.07022	1.0
175.07518	0.5
176.08301	1.5
177.05489	0.7
177.09079	0.3
187.07416	0.5
191.09009	0.6
191.10658	7.6
205.12260	4.2
206.12639	0.3
209.11722	100.0
210.12065	4.0
215.10614	0.7
219.10132	0.9
229.08607	0.9
229.12242	0.5
231.04956	1.4
233.11728	18.1
234.12004	1.0
245.11676	0.3
247.13292	0.4
251.12816	5.1
257.11786	0.5
271.13278	0.5
275.12756	7.2
276.13034	0.4
299.12836	2.2
317.13879	2.8
362.06219	0.3
403.13934	0.7
444.64688	0.3
474.22845	18.1
475.23123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03448	1.0
67.05516	1.8
69.03443	2.6
71.05010	1.8
73.02925	1.0
81.03423	3.4
85.02917	8.4
85.06551	11.0
87.00847	1.8
91.05474	5.8
97.02917	4.4
105.01859	2.7
105.07076	1.0
107.04959	1.6
107.08595	1.1
109.02899	2.6
109.10173	1.0
112.90567	0.9
121.06535	4.0
123.04411	2.1
123.08070	1.5
127.03905	5.8
131.08568	4.5
133.10150	2.5
135.08064	0.9
136.06195	1.8
137.05963	10.4
137.09599	1.0
139.03931	2.8
145.04988	4.8
147.02948	1.1
149.06017	1.7
151.07553	16.5
153.01839	0.9
159.02887	3.2
159.08131	2.0
160.08904	1.4
162.06795	2.8
163.07507	5.2
163.11209	2.9
175.07530	2.8
176.08275	4.5
181.04982	1.2
189.09091	1.9
189.83846	0.9
191.10667	100.0
191.14317	3.1
192.11043	3.6
209.11722	48.9
210.12059	1.6
215.10670	6.3
229.12224	1.5
233.11742	29.3
251.12845	4.1
257.11728	7.8
275.12717	6.8
299.12784	3.6
317.13571	4.6
342.15735	3.1
355.09900	6.9
368.09738	1.4
403.13745	2.5
421.15128	1.4
474.13986	3.5
474.21368	1.5
474.27780	8.3
475.12192	3.8
475.32510	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	474.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06329	0.3
67.05504	0.8
70.44451	0.4
70.44827	0.5
76.83550	0.3
85.02900	0.5
91.05482	1.8
93.07059	0.6
103.05443	0.3
105.07024	0.8
107.04957	1.6
109.06511	0.5
115.05429	0.5
116.06203	0.4
119.04982	0.5
121.06509	6.1
123.04413	1.2
131.08563	4.8
131.09485	0.5
133.06500	0.3
135.04404	0.6
135.08075	1.4
137.05984	4.4
139.03908	0.3
144.05759	0.5
145.06505	0.6
147.04420	2.2
147.05380	0.4
149.05984	1.0
151.07475	0.4
158.07277	0.9
159.08051	2.3
160.08795	2.1
161.05971	2.8
161.09628	0.4
162.06741	5.2
163.07529	3.4
163.11171	3.9
173.09587	0.4
175.07512	0.6
176.08336	7.1
189.09111	0.6
191.10663	100.0
192.11035	2.7
276.77039	0.3
475.32596	0.5
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
53.03938	3.1
55.01870	1.9
55.26346	1.1
57.03420	1.7
61.02923	1.8
67.05498	3.4
69.03419	10.2
69.07066	66.8
73.02901	2.1
77.03932	1.7
79.05466	6.3
81.03420	8.0
81.07061	2.5
83.04983	2.0
85.02905	24.4
87.00817	10.0
87.08104	100.0
88.08466	2.2
91.05486	2.5
94.06573	1.3
95.04971	5.6
97.02891	10.6
97.10109	1.4
99.04469	5.0
104.05015	4.9
105.01876	12.3
105.03366	6.8
105.04489	1.6
105.07027	4.1
107.08608	1.8
109.02879	7.7
109.06567	1.3
119.08646	2.2
123.04413	13.9
127.03895	16.1
131.08650	1.2
133.10121	8.3
136.07593	5.4
137.38109	1.3
139.03894	1.3
145.04976	5.5
145.10144	1.4
147.08076	1.7
150.05563	1.7
159.02942	2.4
160.03903	10.2
161.09648	3.1
162.05498	10.0
173.13283	1.7
176.14371	1.4
178.04987	36.7
191.14330	2.4
209.11732	16.0
214.18127	1.8
223.71759	1.3
225.10362	1.5
226.17996	1.7
231.05042	4.4
263.12848	3.2
313.11850	6.2
315.13568	2.4
423.92068	1.3
474.17300	1.7
474.23016	43.5
474.29617	5.7
475.27090	4.9
492.18002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01860	1.8
55.05495	1.5
56.90951	1.3
59.80356	1.4
67.05498	2.5
67.28316	1.2
69.03424	32.8
69.07069	4.1
69.29112	5.7
69.38374	1.1
71.04973	2.2
79.05482	1.8
81.03403	3.1
81.07053	3.1
83.04974	1.7
85.02908	10.5
85.06558	2.2
87.00800	7.3
91.05483	2.7
92.18681	1.1
93.07047	3.1
95.08598	5.3
97.02911	6.3
97.06555	2.5
103.79144	1.2
105.01870	4.1
105.07038	3.9
107.08582	11.6
109.02869	4.2
109.06504	3.8
109.10153	2.2
111.08090	3.1
111.49139	1.3
119.05156	1.1
119.08553	2.3
121.06496	3.5
121.10148	6.6
123.08086	2.5
123.11715	3.1
125.09621	17.2
127.03927	7.4
131.08595	3.5
133.10063	2.7
135.08025	6.5
135.11679	4.5
139.03897	1.4
141.10933	1.3
145.04944	4.2
145.10121	2.6
147.04416	2.6
147.11702	5.2
149.09601	5.6
149.13246	3.4
151.11183	1.6
153.09102	5.5
159.02884	2.5
163.11224	2.0
163.14806	3.6
165.12804	1.6
173.13278	13.5
191.14290	77.1
207.13881	2.2
208.46889	1.2
209.15349	100.0
231.05000	1.3
274.46863	1.6
422.23132	1.6
475.32495	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	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08422	0.3
53.03939	0.4
55.01866	0.7
55.05503	1.4
57.07069	0.9
58.93680	0.3
63.29317	0.3
65.03932	0.6
67.05497	2.4
68.33435	0.3
69.03434	2.3
69.07081	1.9
69.62067	0.8
77.02536	0.3
77.03917	0.4
79.05505	4.0
81.03426	0.4
81.07053	2.2
83.08593	0.4
85.02907	2.1
87.00822	0.7
87.28822	0.3
91.05482	8.0
93.07052	4.4
95.04987	0.7
95.08600	2.3
95.60448	0.4
95.83159	0.3
97.02878	1.5
99.04447	0.5
99.34511	0.3
103.05415	0.3
105.01875	0.9
105.06349	0.7
105.07032	10.8
107.08596	11.5
107.57261	0.4
109.02868	1.1
109.06522	1.1
109.10149	1.2
111.55103	0.3
115.05458	0.9
116.06220	1.4
117.07006	4.7
119.06033	0.4
119.08587	13.9
121.10147	10.9
123.08088	0.6
127.03921	1.5
128.06227	0.7
129.06995	4.1
130.07820	1.6
131.08572	18.1
132.09323	0.6
133.10144	6.3
135.08081	3.7
135.11700	0.8
137.05960	0.4
137.09602	0.4
142.07825	0.4
143.08571	7.9
144.09355	3.1
145.04997	0.9
145.10126	13.0
147.11679	6.6
149.09631	1.2
149.13261	7.2
156.09344	0.7
157.10101	0.4
158.10924	10.3
159.02873	0.4
161.09631	0.5
173.13269	15.4
175.14828	8.2
191.14310	100.0
192.14694	1.9
193.15871	0.4
209.15419	1.8
231.05013	0.6
307.53323	0.3
474.23117	1.4
475.32623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.05495	3.7
57.03417	1.8
67.05508	1.8
69.03426	7.9
69.07060	3.9
70.83113	1.4
71.04980	1.6
73.02910	1.9
79.05489	1.9
81.03411	5.7
81.07043	2.3
83.08606	1.4
85.02897	18.0
87.00816	9.3
91.05478	5.7
93.07034	3.3
94.42078	1.1
95.08602	2.9
97.02892	8.7
97.06532	2.3
99.04477	2.2
105.01889	6.5
105.07035	23.4
107.08574	5.6
109.02864	4.3
109.10180	2.1
117.07040	2.3
119.08573	25.3
121.10138	5.9
127.03928	12.8
131.08559	19.3
133.10121	20.9
145.04970	5.9
145.10126	6.1
147.11682	31.0
147.12851	1.8
159.02858	2.5
159.11661	1.4
171.11703	1.5
172.75977	1.3
173.11841	2.6
173.13263	34.4
175.14815	100.0
176.15181	3.3
191.14297	23.9
210.04173	1.3
231.04865	2.2
310.00183	1.4
377.15799	1.4
413.58704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.07066	6.4
69.03416	9.6
69.07047	7.1
71.05009	3.1
71.44792	2.5
79.05445	2.3
81.03413	5.9
81.07053	4.6
84.02046	2.3
85.02894	20.3
85.06528	6.2
87.00838	12.0
91.05433	3.6
93.07030	4.4
94.42249	2.0
95.08586	6.0
97.02917	14.5
99.04477	2.9
100.11272	4.3
105.01868	7.7
105.07034	21.7
107.08575	4.6
109.02885	7.4
119.08585	26.2
121.10117	7.9
127.03924	16.7
127.04703	2.8
131.08549	26.2
133.10133	25.9
143.08502	2.2
145.04964	6.9
145.10136	9.9
147.11682	26.1
158.10872	3.3
159.02930	3.9
163.14883	2.1
173.13254	53.8
173.14738	3.0
175.14819	100.0
176.15108	2.5
182.15401	3.7
191.14297	29.7
209.11664	12.5
226.10008	2.1
231.04935	4.3
466.55795	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01862	2.9
55.05513	2.2
57.03428	2.1
60.99369	1.3
61.02908	2.7
61.50256	1.5
67.05497	4.4
69.03432	10.1
69.07056	1.5
71.04993	6.7
73.02915	4.6
77.19156	1.2
79.05478	2.6
81.03413	5.8
81.07053	8.9
83.04971	2.2
85.02905	25.9
85.06549	3.3
87.00849	10.5
87.22625	1.3
91.05478	4.3
93.07041	18.3
95.08603	41.6
97.02889	10.9
97.06538	3.7
97.10158	2.8
99.04453	3.6
104.48967	1.3
105.01868	10.9
105.07030	18.5
107.08595	11.7
109.02873	6.3
109.10162	2.5
111.04334	1.3
117.01810	1.4
119.07737	2.7
119.08576	34.4
121.10156	6.3
127.03908	12.6
127.07543	2.4
131.08516	3.7
133.10124	12.0
135.11694	14.2
137.24821	1.2
145.04942	7.1
145.10117	4.4
147.11687	4.9
149.02304	6.0
150.02666	3.8
151.11185	6.1
159.02911	4.4
161.13251	16.2
163.14825	4.9
165.12746	9.8
173.13269	5.1
179.14287	6.1
181.12160	1.8
189.12727	12.9
191.08559	10.3
191.14296	38.1
193.04948	2.2
209.15364	100.0
210.15648	1.7
220.67374	1.4
231.05066	3.1
359.43726	1.9
403.09180	1.4
404.10455	2.7
430.12030	2.3
430.19949	1.5
457.20755	2.4
474.14755	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65912	1.1
53.03936	1.4
68.09811	1.1
69.03432	4.0
71.08633	4.2
73.02940	1.2
79.05495	1.5
81.03436	2.8
85.02905	13.8
87.00821	4.4
97.02899	3.4
98.10429	1.0
99.04434	2.2
105.01875	4.8
107.04947	2.9
109.02882	4.6
124.05233	6.4
127.03927	9.9
135.59872	1.2
137.05974	1.5
139.07544	40.5
144.43549	1.1
145.04977	7.6
159.02930	4.3
183.02443	1.3
209.15364	100.0
210.15724	1.8
231.04947	3.2
233.15480	1.9
251.16498	2.3
274.17535	1.1
275.16400	1.5
299.16278	1.8
317.17606	1.4
348.37546	1.3
406.05066	1.3
445.82315	1.2
467.40884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01853	1.0
55.05495	2.2
57.03413	0.7
65.03967	0.8
67.05492	2.1
69.03432	4.3
69.07058	1.1
69.27660	1.3
69.28065	2.5
73.02903	0.7
79.05486	3.8
81.03400	2.1
81.07057	3.4
85.02901	8.0
87.00839	3.8
91.05473	11.6
93.07046	4.2
95.04951	1.4
95.08614	1.6
97.02872	2.8
99.04451	0.9
103.05418	0.7
105.01871	5.0
105.04523	0.7
105.07028	17.8
107.04996	0.8
107.08575	3.7
109.02855	2.0
111.34265	0.7
115.05470	1.6
116.06207	2.2
117.07024	5.7
119.08579	26.2
121.06490	0.7
121.10122	5.0
127.03914	5.2
128.06203	1.9
129.07004	7.9
130.07758	2.1
131.08566	28.8
133.10114	5.5
135.08043	1.2
137.06026	2.0
139.03893	3.0
142.07787	1.3
143.08557	18.7
144.09344	5.0
145.04944	1.7
145.10112	16.4
147.04437	0.7
147.11687	19.5
149.13266	1.4
156.09386	1.3
157.10132	1.4
158.10910	17.5
159.02817	1.1
171.11441	0.8
173.13251	100.0
174.13577	1.9
174.54329	0.7
175.14792	2.2
191.10716	5.1
191.12491	1.1
191.14296	16.7
191.15958	1.1
207.10161	0.9
209.11752	1.4
231.05017	1.7
231.13750	0.8
323.15573	0.7
439.20047	0.8
474.23666	2.6
475.32227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07914	1.4
55.05503	4.5
57.07077	2.3
59.04998	2.2
65.03925	2.1
67.05509	4.0
69.03447	3.2
69.07072	23.3
69.24419	3.7
69.24802	3.1
70.06596	4.3
71.04980	1.6
76.66640	1.4
79.05480	8.7
80.27531	1.4
81.03414	4.0
81.07066	4.6
83.04965	1.9
83.08609	7.3
84.06844	1.3
85.02908	5.5
85.06542	11.2
91.05480	22.6
93.07046	45.7
95.04990	4.7
95.08600	9.7
97.02905	3.3
97.06532	6.3
102.01662	1.3
105.01875	4.6
105.07028	30.0
107.08593	67.1
109.02882	4.2
109.06525	3.0
109.10161	6.1
114.10529	1.3
117.07025	3.5
119.08578	21.0
121.10147	64.3
122.10501	1.9
123.08043	3.3
123.11702	3.7
127.03938	7.7
129.07028	1.4
129.91470	1.4
131.08565	26.6
133.10130	100.0
134.10500	2.1
135.08084	8.9
135.11737	7.4
143.08597	2.1
145.04959	1.6
145.10132	6.6
147.11702	2.9
149.09631	3.8
149.13284	3.7
158.10936	3.9
163.14806	26.8
167.55093	1.5
171.11667	1.9
173.13261	57.6
182.15247	1.3
191.14307	97.5
192.14673	2.2
209.15366	4.8
226.18008	6.6
233.15363	1.8
249.06047	3.0
259.33994	1.5
316.03613	1.5
319.10318	4.7
335.18420	1.7
369.15076	6.1
439.19638	9.2
474.23267	2.3
475.19229	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	474.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
57.07074	89.5
58.07428	1.0
59.04983	1.3
61.02906	0.9
67.05499	3.7
69.03410	1.3
69.07069	1.4
73.06541	1.2
77.03934	1.7
79.05477	2.7
81.07056	3.2
83.08620	1.4
85.02902	2.2
87.04469	7.5
89.06030	100.0
89.92129	0.9
91.05470	11.5
93.07039	16.1
95.04968	5.2
95.08614	3.0
97.06547	1.4
99.11729	2.8
103.05470	3.8
104.37524	0.8
105.04501	1.6
105.07056	2.9
107.04957	3.4
107.07086	2.2
107.08611	4.0
109.10170	2.3
109.32992	0.8
117.07018	1.7
118.07835	5.8
118.21716	1.0
119.04954	3.8
119.08560	5.3
120.08079	1.2
121.06504	54.8
121.10143	2.9
122.06930	1.1
123.04466	2.9
123.11746	1.0
124.04785	1.5
130.08647	2.4
131.07036	1.7
131.08556	1.5
132.09386	2.2
133.08603	63.5
133.10179	1.7
135.08055	9.7
135.11693	3.7
137.02357	1.4
137.05991	1.3
139.03891	1.0
145.10068	1.6
147.08037	11.5
147.11707	1.1
149.05966	2.1
149.09665	2.8
150.06744	3.8
153.05417	1.5
156.09050	1.0
161.09657	1.0
163.07594	1.4
163.11171	4.5
164.08273	1.1
165.09113	28.6
167.10725	2.2
169.04988	2.7
170.05238	1.3
177.11224	22.0
177.12749	2.3
183.49178	0.8
191.10641	2.5
193.12041	1.1
207.13846	1.5
209.11710	12.9
219.15306	1.2
219.17433	22.0
220.17659	1.1
221.13824	3.4
227.12889	0.9
235.13239	1.3
245.19070	2.5
253.14349	2.9
263.20065	36.2
264.20364	1.3
271.15363	6.0
307.22675	8.0
313.27466	1.0
315.17978	3.9
359.20609	61.0
360.20972	2.6
374.82584	1.0
442.22745	1.2
445.18994	1.1
457.31601	50.6
458.31879	3.2
474.25616	3.4
474.33594	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	474.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
56.96571	0.8
59.20930	0.8
67.05511	3.4
67.85521	0.8
69.03404	0.8
69.07066	2.0
70.06591	4.3
70.62397	0.8
71.45366	0.8
79.47777	0.8
81.07059	3.1
83.01339	1.6
83.08649	1.4
86.69717	0.7
91.05473	2.4
93.07045	1.3
95.08601	3.8
97.10131	1.0
104.38120	0.8
109.10187	4.2
116.07120	5.8
116.98692	1.0
119.08588	2.8
123.08141	1.0
132.05750	1.0
136.93091	3.9
137.05998	3.0
137.09616	5.0
146.25049	1.0
147.08046	4.8
151.07538	2.4
154.94182	5.5
163.07570	2.8
165.09116	100.0
166.09515	1.7
172.95206	7.3
177.09103	1.7
190.96216	2.8
191.10640	6.1
205.12233	2.5
210.96933	1.2
228.97859	2.7
275.20099	1.3
320.19870	2.7
338.20816	2.3
352.31308	0.8
359.29428	50.4
360.29819	1.9
367.89923	0.9
456.18835	3.1
474.20190	12.8
497.21884	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90405	3.1
57.07082	27.4
70.20175	2.8
70.84132	3.2
81.07075	3.8
91.05477	3.0
95.08617	6.7
98.33144	2.3
105.07061	4.0
105.77477	2.6
107.08622	4.3
109.10168	2.7
111.08079	45.8
119.08599	3.2
120.72215	2.7
121.10141	68.5
123.08067	15.2
137.09653	7.8
147.11703	11.2
153.73729	2.7
165.12785	23.6
174.03183	11.9
183.13847	11.6
188.12186	3.2
250.06302	71.7
250.08870	3.8
251.06688	3.1
275.23703	36.2
306.12552	49.5
362.18802	100.0
363.19119	5.2
369.93991	3.1
418.25037	76.1
419.25339	5.1
474.31250	25.6
475.31720	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	475.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80440	0.3
55.41483	0.3
66.66271	0.4
66.66677	0.3
69.03407	0.6
69.24673	2.1
71.04985	1.6
79.23989	0.3
81.03399	0.9
81.07059	0.6
83.04977	0.4
85.02895	3.1
86.03243	0.5
87.04486	0.4
89.39954	0.3
97.02882	4.5
98.22722	0.8
99.04456	1.0
105.07037	0.6
108.08133	0.5
109.02853	1.1
109.06514	0.6
125.02125	1.5
127.03957	1.9
129.05487	0.8
135.08069	1.9
139.03897	0.4
151.07323	0.9
167.06839	0.7
169.04723	1.4
173.09688	0.3
181.04779	1.4
187.11150	0.7
210.08661	0.6
215.10704	1.0
227.08870	14.8
227.16365	0.8
233.11795	0.5
245.11743	1.4
255.08394	6.2
261.11188	0.8
289.22092	0.3
323.12616	0.6
371.13104	1.2
389.14169	14.4
390.14551	0.4
431.15237	35.8
432.15649	1.2
475.14200	100.0
475.32330	12.4
476.14639	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	475.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.0
55.63142	2.9
57.03430	8.7
61.02933	8.4
62.61876	2.7
69.03432	12.1
69.59566	10.8
71.01395	3.4
72.08148	5.5
73.02929	4.5
81.03416	4.5
83.01362	5.1
85.02900	31.5
91.05473	4.2
97.02845	4.3
103.03943	15.7
105.07018	3.2
114.12008	2.8
114.20450	2.9
128.06223	5.4
133.06454	4.4
139.03868	3.8
145.06471	21.4
147.04251	4.2
147.08031	3.3
149.05986	3.3
151.07593	5.2
153.01828	23.6
159.08060	8.2
161.05968	17.1
163.07501	3.0
165.05495	5.0
171.08046	6.3
173.05998	13.3
175.03935	4.6
175.07507	13.8
177.05521	6.4
179.07068	5.4
181.04955	7.4
183.08095	4.2
185.06009	16.9
187.03926	5.6
187.07562	10.4
189.05463	74.1
191.03452	3.0
191.07062	5.1
193.04953	29.7
197.05995	3.2
198.06702	4.0
199.03896	7.1
199.07564	10.1
201.05493	11.1
203.03429	7.1
203.06982	22.6
205.04977	41.1
207.06516	18.9
211.07544	4.8
213.05469	30.1
213.09108	3.4
215.06990	17.5
217.04951	62.8
217.08350	5.1
219.03012	4.8
219.06532	10.2
221.04459	10.9
223.06067	9.9
225.05580	3.4
226.06247	5.3
227.06989	19.9
229.04935	23.4
229.08553	4.8
231.02963	6.4
231.06506	48.3
231.17172	3.7
235.05952	39.2
239.07147	4.0
241.04944	35.6
243.06555	21.5
245.04443	5.9
245.08078	9.9
247.06015	19.8
250.06015	3.3
253.04903	4.7
255.06505	27.3
257.04453	6.4
259.06021	69.5
261.07681	14.7
269.08118	5.4
271.06012	27.2
273.07605	12.7
277.07108	10.3
279.06476	4.6
281.08109	4.6
283.05988	35.1
285.07559	6.3
287.05499	4.4
289.07114	34.5
291.08560	19.8
297.07629	4.1
299.05783	3.1
301.07040	56.8
305.06656	3.1
307.08115	9.5
313.07037	13.4
319.08160	23.2
325.06461	5.4
325.09277	13.0
331.08322	6.5
337.09265	19.8
339.08411	4.1
343.07944	31.7
353.89261	4.7
355.10333	100.0
361.09152	7.9
373.09329	7.9
379.10242	42.0
385.09229	6.8
391.10129	8.4
403.10263	18.9
409.11356	11.1
414.18701	3.3
421.11154	10.8
439.12411	12.5
452.52161	2.9
457.12701	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	475.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.1
53.00288	0.8
53.03942	0.2
55.01868	0.6
55.05489	0.2
65.03936	1.3
67.05501	0.7
67.09462	0.1
68.99784	0.7
69.03423	0.2
69.52862	0.3
70.17768	0.1
73.02872	0.1
73.62313	0.1
79.05508	0.6
81.03400	0.2
81.07052	1.2
83.05008	0.3
85.02898	0.5
87.00820	0.2
91.05460	0.3
93.03395	0.5
93.07037	0.3
95.04957	0.4
95.08601	1.4
97.02893	0.2
99.04458	0.1
105.07019	0.6
107.04929	0.2
109.02870	0.2
109.06508	0.2
111.00813	0.6
111.04453	1.5
117.03375	0.2
121.02858	1.5
121.06496	0.1
123.04431	2.3
123.08066	1.8
125.05975	0.1
127.03887	0.5
129.29042	0.1
133.06482	0.2
133.10161	0.1
135.04381	0.3
137.05974	5.4
139.03893	100.0
140.04204	1.3
149.05969	0.5
151.03897	7.5
151.07515	1.1
152.04045	0.1
153.05472	0.3
159.04482	0.1
161.05992	0.7
163.03897	4.6
163.07614	0.2
167.07072	0.3
169.08624	0.2
173.13312	0.1
175.07599	0.2
175.14838	0.1
177.05438	0.4
179.03467	0.1
179.06956	0.7
181.04967	0.5
187.07693	0.2
187.09587	0.2
191.10623	0.3
192.10992	0.1
193.12247	3.1
201.05418	0.2
203.06961	0.2
205.04991	1.8
205.12184	0.2
207.30983	0.1
211.13321	0.4
215.06702	0.1
217.12254	0.6
229.05052	0.2
231.13857	0.1
235.13318	0.4
247.06061	0.3
253.14381	0.1
259.13306	0.4
271.06052	0.3
283.13263	0.1
289.07056	8.6
290.07480	0.2
301.14407	0.5
307.08215	0.1
307.11658	0.1
310.09497	0.1
407.60764	0.1
439.21262	0.1
473.71005	0.1
475.21774	0.2
475.32495	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	475.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02238	0.4
64.84190	0.3
69.07073	0.5
69.34219	1.9
71.04970	0.4
81.07051	0.4
86.30201	0.3
89.06413	0.3
107.04993	0.5
123.04410	0.5
125.02454	0.4
127.03780	0.4
139.03909	1.2
143.03371	0.5
149.09395	0.9
151.03877	0.6
153.01825	6.9
153.02942	0.4
189.05421	0.5
193.05058	0.4
209.11479	6.4
227.12550	9.3
227.20590	0.5
245.06404	2.0
255.12033	2.3
256.78714	0.5
269.13486	0.5
286.86508	0.4
287.05069	0.4
289.05356	1.3
371.16785	1.0
389.17801	18.1
390.18152	0.6
398.42557	0.4
431.18875	34.9
432.19009	1.1
475.17865	100.0
476.18161	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.252
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
55.01884	0.2
55.29149	0.2
59.13113	0.2
63.50187	0.1
67.05489	0.2
69.03427	0.5
69.07063	0.3
69.27645	0.3
69.28052	0.8
71.04993	0.2
72.92828	0.2
74.51660	0.2
76.75887	0.2
81.03429	0.3
81.07053	0.4
85.02895	0.9
85.70517	0.2
87.00865	0.4
91.05486	0.2
93.07055	0.4
95.04956	1.1
95.08620	0.6
97.02895	0.4
97.06522	0.3
99.04454	0.6
105.01884	0.3
105.07018	0.4
107.08595	0.4
109.06516	0.7
109.10132	0.2
113.06056	0.2
115.07687	0.2
119.08586	0.4
121.10142	0.4
123.08034	0.2
127.03901	0.4
128.94797	0.2
131.08603	0.2
133.10127	0.6
137.02370	0.5
137.05885	0.2
137.09605	0.2
139.03886	0.8
140.04240	0.2
144.51920	0.2
145.05043	0.2
147.04407	0.7
147.11653	0.6
148.04761	0.3
149.09650	0.2
152.93768	0.2
153.01816	0.3
153.09090	0.7
156.70636	0.2
156.80490	0.2
161.05956	0.3
169.09763	0.8
173.13280	0.3
185.08066	0.2
187.10765	0.5
191.14305	0.7
193.08554	0.2
207.13840	0.2
209.04430	0.3
209.15390	1.5
210.10379	0.2
227.16383	1.0
254.07051	0.2
275.52490	0.2
295.18665	0.9
301.74945	0.2
313.10980	0.2
313.19812	1.0
324.25888	0.2
337.13956	0.2
339.31827	0.2
362.24298	0.2
457.23993	1.2
470.44675	0.2
472.57071	0.2
475.25146	100.0
476.18820	0.4
476.25519	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	475.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81863	1.4
53.14085	1.5
55.05498	3.9
57.03432	1.7
57.07058	1.9
67.05496	3.8
69.07062	3.3
69.49751	7.9
74.34517	1.6
80.32249	1.6
80.78810	1.8
81.07047	3.2
85.02901	4.7
91.05467	8.3
93.07062	2.7
95.04936	2.1
95.08599	6.0
97.02916	2.1
97.10192	1.8
99.04447	4.8
103.03947	1.8
103.11996	1.5
105.07025	10.4
106.07350	1.8
107.04933	3.0
109.10150	2.9
111.64728	1.8
114.27141	1.8
115.05455	2.7
117.06966	2.1
119.08594	4.6
121.06502	12.8
122.06856	6.6
122.91518	1.8
123.04422	7.3
123.72136	1.8
126.75620	1.5
127.03912	6.1
131.08557	6.3
132.08919	4.0
133.10139	3.5
135.04410	3.6
135.08035	3.4
137.05966	9.0
138.06293	3.3
139.03883	18.0
143.08569	2.0
145.06464	1.5
147.04411	6.3
147.08110	8.5
148.04735	1.6
149.05971	4.7
150.06284	1.7
151.03879	3.3
153.05370	2.6
155.03375	9.4
160.08719	2.1
161.02348	4.0
161.05952	8.7
161.09625	17.5
162.06732	7.8
163.03893	35.2
163.07503	8.1
163.11182	4.2
164.07886	4.6
164.11543	4.1
165.05469	5.6
167.03319	2.8
167.06982	1.7
169.05005	2.1
175.03886	4.0
175.07498	3.0
176.08301	5.6
177.05472	7.3
177.08665	7.0
179.03398	24.0
179.07050	5.1
189.05455	7.1
189.09065	6.0
191.10655	91.8
192.10995	100.0
193.04944	4.0
203.07001	8.1
205.04936	15.0
207.10187	7.1
217.04968	2.8
219.52446	1.7
221.04453	19.9
229.04967	3.9
245.04387	8.1
245.08078	4.5
247.06097	1.7
249.18610	1.9
263.05447	5.7
277.17987	5.6
283.17093	1.6
295.18982	4.7
319.18918	9.1
337.20218	2.5
343.19043	7.5
361.20035	7.0
379.21112	6.0
385.19879	3.7
403.21039	6.3
421.21957	1.9
475.21213	4.9
475.32678	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	475.3034
Annotation	CHEBI:68045
Peak:m/z	Relative Intensity
52.36252	0.5
53.68773	0.6
54.86230	0.7
56.57994	0.6
59.75674	0.6
69.46203	1.5
69.46610	1.4
88.17634	0.5
104.38123	0.7
124.54655	0.7
134.20367	0.5
166.06285	0.7
440.26089	0.6
445.25616	1.0
460.27927	3.1
475.30319	100.0
476.30414	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
53.03941	5.3
55.01876	4.0
55.05509	24.2
57.03442	5.6
57.07064	2.6
65.03943	4.3
66.00538	0.7
67.05503	91.1
68.05814	1.1
69.02057	1.0
69.03410	1.4
69.06708	1.7
69.07064	24.9
69.77307	2.9
71.01347	0.8
71.04991	5.4
73.06552	1.6
77.03908	2.4
79.05491	93.4
81.03418	9.8
81.07054	91.1
82.07375	1.2
83.04982	15.0
83.08611	17.4
85.02902	1.4
85.06535	4.8
91.05477	63.2
91.73949	0.7
93.07042	90.8
94.07365	1.2
94.53062	0.8
95.04965	27.8
95.08603	34.7
96.65696	0.7
97.02879	1.1
97.06525	11.9
97.10184	3.7
99.08092	3.0
101.05955	0.8
103.05442	1.1
104.39972	0.8
105.04512	6.2
105.07027	38.3
107.04956	6.5
107.08592	37.9
107.09332	1.3
108.08935	1.3
109.06524	8.2
109.10155	5.0
111.08074	8.1
113.09644	1.0
115.05450	1.4
117.07010	15.4
119.08571	22.3
119.09422	1.2
121.06493	2.9
121.10148	16.9
123.08073	5.9
123.11726	3.1
125.09566	0.9
127.07574	2.2
128.06215	3.2
129.07005	15.2
131.08560	9.7
133.06441	1.1
133.10117	15.0
135.08037	1.7
135.11676	7.3
141.09038	1.4
143.08553	8.6
145.10101	9.5
145.11113	1.2
147.08041	2.2
147.11676	30.8
149.13251	23.6
151.11191	1.3
153.12630	1.0
159.11674	11.7
159.12920	0.8
161.09610	4.7
161.13258	12.8
162.13916	0.7
165.09178	1.3
171.11678	27.7
173.76982	0.9
177.12723	6.4
179.14368	1.1
189.12732	10.9
190.12825	0.9
195.13809	6.8
207.13792	35.3
225.14799	5.0
251.16467	0.9
263.16281	1.1
269.17587	2.1
281.17548	1.8
304.26440	1.4
324.22543	0.8
372.11176	0.9
457.29813	1.5
475.30566	100.0
476.30798	6.0
500.91516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03944	4.0
54.48199	1.2
55.01881	5.0
55.05513	19.8
57.03442	5.8
57.07069	2.5
64.94058	1.1
65.03934	4.0
67.05507	83.7
69.07070	23.1
71.04977	4.6
73.06547	2.1
73.80386	1.0
77.03947	2.4
79.05496	87.7
80.58778	1.1
81.03426	10.9
81.07059	89.2
82.07397	1.4
83.04980	13.3
83.08623	13.2
85.06548	4.0
91.05484	56.7
93.07050	80.7
95.04974	24.4
95.08607	35.2
97.06537	9.7
97.10162	2.8
99.08105	3.1
105.04527	7.5
105.07034	39.2
107.04960	6.6
107.08598	35.7
107.57269	1.0
109.06568	6.4
109.10138	6.9
110.12220	1.1
111.08099	4.4
115.05463	1.1
117.07028	11.2
119.06069	1.2
119.08585	21.3
121.06519	3.0
121.10150	15.2
123.08078	4.7
123.11706	1.4
125.09632	1.1
127.03907	1.5
128.06216	1.5
129.06987	12.8
131.08559	9.6
133.06525	1.2
133.10149	11.7
135.08067	3.0
135.11702	6.4
141.09122	1.6
143.08577	7.4
145.06503	1.9
145.10129	6.5
147.08057	3.0
147.11691	26.8
149.13260	23.5
151.11302	1.7
159.11725	8.5
161.09660	3.9
161.13268	10.7
163.11169	1.6
167.14410	1.6
171.11681	21.5
172.12102	1.3
177.12669	4.8
179.14290	1.8
189.12761	10.1
195.13821	8.1
207.13811	29.4
213.14838	2.5
225.14867	4.4
269.17548	1.5
334.44095	1.1
388.94894	1.1
475.30576	100.0
476.30914	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	475.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.05512	23.1
57.03431	14.9
57.07082	6.6
59.04979	4.5
60.46373	2.7
67.05497	29.0
69.03424	5.7
69.07064	30.1
69.59129	4.5
69.59512	6.8
71.04980	6.4
78.05881	2.7
79.05499	18.1
81.07051	62.9
83.08623	15.0
86.39089	3.3
91.05481	9.9
93.07042	30.8
94.96272	3.3
95.01620	3.2
95.04995	4.4
95.08601	57.3
97.06523	9.2
97.10157	7.0
98.22813	4.7
98.92207	2.6
98.98464	25.5
99.08070	3.6
105.07017	15.8
105.90997	3.6
107.08591	29.8
109.06519	8.0
109.10152	38.2
111.08106	7.3
111.11715	5.4
114.70981	2.7
117.07093	3.9
119.08577	18.0
121.06488	4.8
121.10134	25.4
123.08057	7.1
123.11721	16.0
125.09636	7.3
130.65201	2.9
131.08589	4.5
133.10127	10.1
135.08087	8.4
135.11699	18.4
136.99969	14.5
137.05966	3.2
137.09634	8.1
137.13252	9.5
139.07538	7.9
145.10127	3.9
147.08032	3.5
147.11711	8.9
149.09642	11.0
149.13272	13.5
151.07533	8.5
151.11172	4.9
155.01071	14.6
157.10129	3.2
159.08089	4.2
159.11693	5.8
160.08884	3.8
161.13301	7.3
163.07558	12.5
163.14838	9.1
165.09111	100.0
167.07013	8.7
169.10158	4.4
170.10873	3.3
171.11690	4.2
174.10333	4.4
175.07603	3.6
175.11223	7.8
175.14812	3.9
177.09181	5.4
177.16490	4.1
179.10660	5.8
181.08658	3.7
187.11250	3.0
189.09132	13.9
189.12709	6.6
191.10721	5.6
199.11227	3.9
201.12910	4.2
203.10654	40.0
205.12241	9.4
217.12257	8.1
229.12216	6.1
231.13838	6.5
241.19115	3.3
243.13802	7.8
305.33536	2.8
319.26312	5.8
339.28983	15.1
355.39453	3.0
439.32001	27.7
457.33066	25.3
475.27426	21.6
475.33682	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	475.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.1
55.05511	20.0
57.03432	3.5
57.07085	9.1
59.04988	1.5
61.02913	5.7
65.03941	1.9
67.05164	2.4
67.05504	31.1
69.03415	4.7
69.07069	29.4
71.04993	12.1
71.08620	4.3
71.44091	1.5
73.02914	3.5
79.05489	20.6
81.03416	3.0
81.07056	69.4
83.04973	4.9
83.08617	14.3
85.02908	4.2
85.06529	3.6
85.10166	2.0
90.06371	1.5
91.03953	5.7
91.05486	13.9
93.07039	35.0
95.04965	5.5
95.08603	59.1
95.09216	3.3
97.02894	5.7
97.06515	6.0
97.10168	6.1
99.08101	3.1
105.07008	17.9
107.05022	2.3
107.08590	30.1
109.06515	6.5
109.10147	33.1
111.04434	2.0
111.08060	3.5
113.70190	1.6
117.06997	4.8
119.08575	16.5
121.06508	3.3
121.10132	18.0
123.08057	7.6
123.11688	19.3
125.05949	2.6
125.09626	2.3
127.03883	2.3
127.11156	3.5
129.06955	3.4
131.08585	7.8
133.10110	14.7
135.08043	7.6
135.11702	16.3
137.05984	8.3
137.09627	8.1
137.13242	6.6
139.07547	14.0
139.11127	7.8
145.10065	9.6
147.08054	3.3
147.11681	10.4
149.05972	3.1
149.09651	8.3
149.13274	14.5
150.75179	1.7
151.07526	17.6
151.11208	2.7
153.12769	4.0
157.10159	4.8
159.07959	2.2
159.11661	5.5
161.09602	4.0
161.13196	8.0
163.07561	13.1
163.11145	2.4
163.14799	4.7
165.05463	2.7
165.09111	100.0
166.09322	1.9
167.07030	7.5
168.50967	1.5
169.10130	3.2
171.11667	4.5
172.08836	1.9
173.09630	4.1
173.13283	4.4
174.10422	2.7
175.11180	6.0
175.14810	4.6
177.09085	9.1
177.12708	2.0
177.16447	4.2
179.06940	2.2
179.10651	2.9
183.11726	3.1
185.09723	1.9
185.13211	2.3
186.10336	3.3
187.11177	6.5
188.08292	2.5
189.09087	11.2
189.12721	6.7
189.16399	3.1
191.10670	3.1
193.08534	2.5
195.13840	1.7
201.09084	1.8
201.12686	4.7
201.16338	3.6
202.09814	3.6
203.10674	48.3
203.17967	3.0
205.12190	7.8
205.19467	3.9
207.13795	3.6
213.12663	4.0
213.16399	1.8
217.12244	6.9
217.19466	2.3
229.12218	19.8
231.13768	8.8
239.23682	4.6
243.13765	12.1
245.15424	2.5
255.62720	2.0
257.15433	3.0
271.16907	4.0
272.27209	1.9
279.19513	1.8
299.20016	1.9
313.27338	14.5
319.26282	1.9
341.24823	4.0
343.26257	2.8
353.24561	3.0
369.24179	6.1
371.25674	6.9
385.26886	2.5
421.31119	4.5
433.80002	1.8
439.32111	29.3
440.32184	2.1
457.33447	17.0
475.31168	15.7
476.31259	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19119	1.5
53.03928	2.7
55.01868	1.7
55.05510	22.6
56.75719	1.4
57.03431	4.5
57.07079	7.9
59.04988	5.3
62.59282	1.8
67.05166	2.0
67.05510	30.1
69.03420	6.9
69.07071	26.1
69.22280	5.7
69.22678	4.0
71.05000	3.8
71.08639	2.3
79.05489	16.4
81.07056	61.7
83.04967	5.1
83.08630	13.9
85.06547	5.6
91.05476	15.5
93.07050	32.0
95.04971	5.6
95.08606	58.1
97.06522	8.1
97.10168	9.4
98.23468	3.7
98.98462	6.0
105.07034	13.5
107.08596	27.9
109.06517	7.2
109.10159	35.9
111.08062	5.5
111.11734	3.3
117.06983	2.8
119.08583	19.2
121.06508	4.7
121.10153	18.3
123.08064	8.1
123.11700	18.0
125.09632	6.6
129.06982	2.6
131.08545	7.0
133.10132	13.2
135.08105	8.3
135.11694	19.3
137.00040	4.1
137.05995	3.2
137.09644	8.1
137.13268	6.6
139.07564	15.3
139.11176	3.1
143.08586	3.9
145.10123	7.8
147.08073	2.3
147.11670	12.0
149.05997	2.4
149.09610	7.3
149.13239	12.8
151.07547	6.1
151.11180	3.8
153.05438	1.9
153.12723	2.6
155.01045	5.4
157.10167	3.2
159.08047	4.1
159.11685	4.4
160.08864	3.1
161.09653	4.6
161.13261	6.1
163.07552	14.6
163.14911	8.1
165.05455	4.1
165.09117	100.0
165.12822	2.6
167.07034	9.0
167.10820	1.6
169.10146	2.8
171.11743	6.5
173.09607	2.0
173.13213	2.9
174.10426	2.9
175.07451	2.4
175.11179	5.6
175.14896	3.5
177.09088	7.1
177.16360	5.3
185.13217	5.7
187.11185	3.5
187.14760	2.4
188.08342	3.2
189.09102	11.2
189.12723	6.8
189.16406	2.3
191.10670	6.3
191.17937	3.4
193.08481	2.5
201.12823	2.5
202.09888	6.6
203.10686	50.2
203.14513	2.2
203.17946	3.1
205.12276	11.2
213.12738	5.5
217.12271	9.1
229.12210	3.5
231.13857	7.9
231.21400	1.7
243.13831	3.0
245.15414	3.6
299.20459	2.2
301.25174	2.8
319.26309	6.0
339.28964	2.7
397.31149	3.6
415.32300	1.9
421.31229	4.6
429.33353	2.6
439.31982	32.3
457.33109	30.5
458.33157	2.2
475.27786	6.4
475.33920	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	475.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05510	4.9
57.07063	2.4
59.04994	0.7
67.05502	9.1
69.03418	0.8
69.06720	0.6
69.07068	8.9
69.09335	3.8
71.04990	0.7
71.30211	0.5
79.05490	4.7
81.06570	1.1
81.07055	22.9
83.04973	1.6
83.08617	6.4
84.08900	0.5
85.06532	1.8
91.05472	3.0
91.35045	0.6
93.07041	9.8
95.04967	1.0
95.08604	39.2
97.06546	0.9
97.10164	3.5
99.08089	0.7
101.06013	1.0
105.07041	3.8
107.08591	31.6
109.10153	33.7
110.10483	0.8
111.08073	2.0
111.11705	2.7
116.77724	0.5
119.08576	4.5
121.10142	14.1
123.08048	1.5
123.11707	9.8
125.09628	32.6
125.13219	1.0
131.08565	1.2
132.26894	0.6
133.10110	4.0
135.08049	0.5
135.11687	8.0
135.13821	0.6
137.09634	1.2
137.13245	7.6
138.44278	0.5
143.07025	0.8
143.10675	3.1
145.10129	2.1
147.11714	4.1
149.13243	8.4
151.11156	1.2
151.14828	1.2
153.09106	7.2
159.11696	2.3
160.83508	0.6
161.13246	3.0
163.11127	0.6
163.14816	4.6
165.12857	0.6
171.10159	100.0
172.10515	1.9
173.13225	1.8
175.14799	1.8
177.16400	5.0
187.14847	1.1
189.16393	1.7
191.17906	4.1
197.11702	0.8
201.16290	0.8
203.18028	3.4
205.15898	0.8
205.19514	4.8
215.17877	0.8
217.19525	1.9
221.15314	0.6
224.57994	0.6
227.17911	0.6
229.19492	0.7
231.21060	1.3
235.16902	0.6
239.16478	1.0
249.18527	0.7
251.16534	0.6
265.17825	0.7
287.27243	2.5
327.91910	0.6
329.28455	3.7
355.28558	0.5
369.31369	0.9
376.78085	0.6
387.32462	2.1
411.36108	1.2
423.30798	0.6
431.35504	0.7
439.35767	3.3
457.36722	8.9
473.71237	0.6
475.32254	0.7
475.37921	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	475.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67107	0.9
55.05515	6.3
55.83390	0.8
56.45018	0.9
57.07077	1.8
59.04977	1.3
67.05183	1.4
67.05505	8.9
69.03420	1.1
69.07066	9.3
69.27386	4.3
71.05005	1.5
79.05505	4.2
81.07059	20.6
83.04987	1.7
83.08615	7.6
85.06524	1.2
86.09701	4.9
88.95805	1.0
91.05479	2.3
93.07056	11.3
95.08023	2.0
95.08607	26.7
97.06522	1.5
97.10178	2.0
105.07023	5.5
107.08601	26.2
109.06524	2.0
109.10152	27.7
111.08091	3.5
111.11704	3.6
119.08585	4.8
121.10154	12.9
123.08086	1.9
123.11717	8.6
125.09628	29.5
125.10513	1.8
126.95564	0.9
131.08556	1.2
133.10146	4.7
135.11679	8.7
137.09613	1.9
137.13278	6.6
137.14156	1.0
139.07564	2.9
139.11143	1.1
143.10664	3.0
145.10077	1.8
147.08186	1.1
147.11697	4.2
149.09612	2.2
149.13216	5.6
151.11130	1.5
151.14749	1.1
153.09142	5.1
159.11691	2.2
161.13321	1.3
162.82141	0.9
163.07590	2.3
163.14888	4.4
163.16081	0.9
165.09135	18.3
166.13121	0.9
167.07079	1.9
171.10168	100.0
172.10445	1.5
173.13380	1.1
175.11139	1.3
175.14885	0.9
177.16399	3.2
179.89442	0.9
185.13264	1.3
189.09081	1.5
189.12700	1.6
189.16302	1.4
191.17989	4.6
193.08698	0.9
202.09943	1.0
203.10658	7.4
203.14320	1.6
203.17931	2.6
205.12227	2.0
205.19498	6.0
211.18573	1.1
217.12183	1.7
217.19493	2.2
229.01984	0.9
231.13823	2.0
231.21162	0.9
239.16434	1.3
247.17024	1.1
275.23682	2.2
276.24008	1.6
287.27298	3.7
319.26373	1.2
363.17206	1.4
393.63577	1.2
431.35733	1.2
439.31500	4.7
457.32343	2.8
457.37186	3.5
475.38245	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	475.3785
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
53.03933	1.6
55.05510	12.9
57.03432	5.6
57.07074	8.5
57.48705	1.4
60.67920	1.4
65.03945	1.3
66.99570	1.3
67.05502	20.1
69.07079	24.1
71.05030	1.6
71.08606	1.4
71.44648	1.2
77.42377	1.3
79.00835	1.2
79.05505	9.6
81.06578	1.9
81.07059	37.1
83.04989	1.6
83.08620	15.2
91.05456	7.9
93.07047	19.1
95.04970	3.3
95.08607	76.8
96.08953	1.5
97.06534	2.8
97.10156	7.6
98.98457	8.2
105.07037	23.3
107.08592	29.6
108.73655	1.5
109.10161	61.2
111.08091	1.9
111.11707	8.1
119.08580	18.0
121.06532	2.1
121.10146	100.0
122.10498	2.0
123.08061	5.7
123.11719	31.2
125.13239	1.8
126.72224	1.5
131.08572	7.3
133.10136	17.2
135.08083	2.3
135.11691	16.1
136.99976	5.6
137.09608	3.0
137.13246	17.3
139.11191	2.2
143.08592	2.0
145.10068	8.2
147.11693	23.6
149.09572	1.6
149.13229	16.4
151.14835	5.8
153.09210	2.0
155.01073	9.6
159.11673	9.9
161.13231	8.7
163.07599	1.6
163.11169	6.6
163.14799	12.5
165.09125	3.1
165.12758	24.4
165.16440	2.0
169.10037	2.0
171.11601	2.7
172.05171	1.3
173.13272	9.0
175.14844	5.9
177.16373	12.2
181.12257	4.7
183.11690	2.5
185.13174	2.5
187.14865	4.5
189.12828	1.7
189.16365	2.4
191.14304	2.5
191.17953	4.3
193.12244	1.8
194.11536	2.4
197.13199	1.8
199.14842	2.0
201.16402	2.4
203.17947	1.6
205.19481	10.0
207.13814	2.1
207.21051	2.8
211.03751	1.8
213.16331	1.8
215.14357	2.4
215.17986	1.8
217.15916	1.9
217.19667	2.0
219.13847	4.2
219.21135	2.1
229.19563	5.2
231.21129	1.5
233.15289	2.6
233.22559	2.2
243.17393	1.8
247.20741	1.9
257.18945	3.8
257.22647	3.0
261.18414	3.4
275.20078	7.5
275.23645	4.2
289.21478	1.8
293.21072	5.4
295.22723	1.7
296.05292	1.6
297.25827	1.6
303.23331	2.3
311.22803	1.7
315.23166	2.6
329.24738	2.8
339.28937	6.8
347.25754	2.4
361.27426	2.1
393.34921	2.8
411.36197	6.1
413.34268	1.9
421.34549	5.4
439.30215	1.7
439.35757	19.2
457.36761	35.3
475.21802	2.5
475.27649	8.6
475.38037	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	476.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03939	2.2
54.16211	0.7
55.01862	1.8
55.05527	0.9
57.03444	5.7
57.07074	23.8
61.02919	2.1
67.05501	1.5
69.03431	12.1
69.23645	4.7
71.01359	1.8
71.04992	22.9
73.02921	7.6
75.04482	1.3
76.84296	0.7
78.03454	14.6
79.73191	0.7
80.05042	1.2
81.03411	13.0
83.04978	4.5
85.02905	46.4
85.06538	18.6
87.04488	0.8
96.04500	4.3
97.02888	12.9
99.04456	4.0
103.03983	1.4
106.02916	54.5
109.02879	8.8
111.04420	4.2
115.03930	4.8
121.06483	1.2
124.03950	100.0
125.04283	1.0
127.03930	7.4
129.05486	12.6
133.04970	2.8
137.06007	1.7
139.03871	1.2
145.04933	2.8
147.06520	8.7
154.59932	0.8
163.06078	0.9
165.07521	0.7
209.11717	29.6
225.07655	2.0
229.00705	0.9
243.08691	2.9
250.07111	18.7
268.08163	69.3
269.08447	2.2
273.09741	1.7
279.10727	4.5
309.11923	1.3
476.12173	1.7
476.19098	32.8
477.19196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03485	1.1
53.03956	1.5
55.01864	2.2
57.03222	1.0
57.03439	12.1
57.62394	1.1
61.02916	3.0
69.03432	11.9
71.04992	56.7
73.02917	17.4
75.04468	4.8
79.77520	1.0
80.79765	1.0
81.03395	2.2
83.04977	13.9
85.02905	100.0
87.03262	1.2
87.04480	3.1
93.06974	1.3
95.34455	1.1
97.02892	21.0
99.04475	1.4
101.06013	1.8
103.03876	2.4
111.04446	11.1
113.05978	1.7
115.03915	18.2
127.03928	6.9
129.05475	45.6
133.04982	10.6
138.99527	1.2
139.03888	3.6
145.04922	7.2
147.06529	30.2
163.05986	4.0
165.07564	2.2
169.04970	3.6
171.06586	1.9
223.06139	1.3
225.07553	11.6
237.07571	1.6
243.08620	9.3
255.08618	3.6
259.08109	3.7
261.09705	5.7
273.09637	2.8
279.10770	19.4
295.10382	1.6
309.11887	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.1
51.02359	0.1
53.03943	0.4
57.07073	0.1
69.32259	0.3
69.32667	0.3
71.04966	0.3
74.72327	0.1
77.03922	0.4
78.27433	0.1
79.05495	1.0
81.26994	0.1
83.05031	0.1
85.02885	0.5
85.06542	0.6
90.48808	0.1
95.04974	1.5
99.04452	0.1
105.04494	0.7
107.04951	100.0
108.05289	1.1
127.03960	0.1
129.05481	0.2
141.60229	0.1
145.08621	0.4
147.06525	0.2
175.11220	0.2
181.75499	0.1
191.09167	0.1
208.11778	0.1
242.18852	0.1
265.70224	0.1
475.32343	0.2
476.32938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.9
69.03432	2.2
69.07054	2.2
71.04993	1.1
71.44852	0.9
73.02918	0.8
79.05477	1.2
81.03421	1.7
85.02898	6.4
87.00817	1.8
91.05478	1.2
93.07089	0.8
94.16808	0.7
95.08598	0.9
97.02891	3.7
105.01878	1.3
105.07070	1.1
107.04949	2.1
109.02908	1.4
109.06519	0.9
119.08574	2.2
121.02840	1.6
123.04470	0.9
125.06013	0.8
127.03921	3.6
127.09495	0.7
129.05460	1.1
133.10138	1.7
137.05978	100.0
138.06314	1.2
139.03903	7.9
140.04233	3.7
145.04919	2.0
147.33977	0.8
151.03902	0.9
151.07555	2.7
159.02882	1.1
161.05988	9.6
163.03935	0.8
163.07513	1.3
175.07584	2.6
175.14804	2.9
177.09135	1.2
179.07036	4.7
191.10808	1.0
193.12247	64.6
194.12527	1.6
203.07036	3.7
211.13269	10.2
212.56966	0.8
214.02672	0.8
217.12241	13.3
217.14172	1.4
227.07114	1.1
229.12166	1.1
231.13770	1.5
235.13316	10.3
245.07950	1.1
253.14310	1.8
255.13759	1.5
259.13300	6.6
277.00900	1.0
277.14346	2.0
279.12195	1.0
283.13269	2.8
288.60974	0.7
301.14285	6.9
319.15286	1.2
423.16122	0.9
428.88983	0.8
452.86090	0.8
475.32574	5.3
476.32837	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	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97391	0.4
53.03945	0.9
53.05896	0.4
55.01867	1.1
56.85244	0.4
57.03431	0.6
57.44565	0.3
59.94279	0.4
61.02917	0.4
64.35667	0.4
68.99805	0.6
69.03423	3.3
69.07067	6.6
70.37228	0.6
70.37551	0.5
71.04975	0.4
72.61047	0.3
73.02912	1.2
79.05479	1.0
81.03423	3.0
85.02905	8.7
87.00828	3.3
91.05448	0.4
95.04968	0.4
97.02895	3.5
98.22765	0.5
99.04461	1.8
105.01875	3.4
107.04945	1.5
109.02883	3.2
109.06536	1.0
123.04434	1.7
125.05978	3.0
127.03029	0.6
127.03920	7.7
129.01909	0.6
137.05972	67.3
138.06358	0.8
145.04961	3.8
147.02858	0.7
151.07509	1.2
159.02873	2.9
161.05977	1.6
179.07106	0.8
189.03955	0.4
193.12236	100.0
194.12570	2.0
211.13289	2.6
217.12225	5.0
231.04890	1.3
235.13327	3.6
259.13321	1.9
283.13226	1.0
298.64328	0.5
301.14264	2.3
441.17105	0.5
442.04602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05513	9.6
57.03434	4.2
59.05001	1.7
61.02938	1.5
62.63186	0.9
67.05502	11.4
69.03426	9.2
69.07067	7.6
70.50431	1.9
70.50768	1.2
71.04984	6.6
73.02926	1.2
79.05489	9.7
81.03414	15.6
81.07051	16.6
83.04977	2.7
83.08612	7.4
85.02904	17.3
85.06570	1.5
86.49012	1.0
87.00820	8.5
91.05472	7.2
93.07037	13.5
95.04963	6.2
95.08595	11.5
96.87360	1.2
97.02887	6.6
97.06523	8.1
97.10155	2.9
99.04456	3.6
99.08121	1.9
105.01868	8.8
105.07024	8.8
107.04977	3.6
107.08591	11.5
109.02862	5.5
109.06532	6.8
109.10154	4.6
111.08114	1.3
115.07620	1.4
117.07031	3.2
119.08572	12.7
121.06512	3.0
121.10136	6.7
123.08049	6.3
123.11696	12.2
125.09623	3.2
127.03892	11.0
129.07072	1.1
131.08586	2.4
133.06528	1.0
133.10126	25.7
135.11685	13.8
136.12099	1.1
137.09631	4.1
141.12744	1.6
145.04971	4.2
145.06512	1.4
145.10126	3.1
147.11678	2.8
149.13234	11.0
153.12767	2.6
155.10669	2.2
159.02930	2.2
159.11716	1.3
163.11168	2.9
165.12753	2.0
168.52449	0.9
171.11670	1.1
175.14816	30.3
177.16379	1.1
186.12840	1.2
189.11238	1.5
193.12256	3.7
193.14088	2.0
193.15871	36.6
209.15443	1.3
211.16916	100.0
212.17378	2.1
213.51917	0.9
227.12758	2.2
231.04970	1.5
233.15321	2.2
258.18530	1.3
262.41220	1.0
266.91168	1.2
267.16003	2.3
273.15018	0.9
349.21631	1.4
362.23077	2.4
367.22675	2.6
378.26315	1.1
385.23798	5.5
403.24527	2.4
423.19952	1.2
441.26080	1.3
459.22577	1.3
459.27533	8.0
476.27835	2.4
476.33640	4.2
477.28195	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03034	3.3
53.03943	5.7
53.81187	3.1
55.01876	3.9
55.05510	12.4
57.03435	6.7
60.19522	3.5
63.59605	3.3
67.05504	24.4
69.03423	9.8
69.07076	11.8
69.31016	10.4
69.31420	7.4
71.04992	32.8
72.60069	3.4
79.05487	19.2
81.03416	12.4
81.07054	47.3
83.04977	6.4
83.08638	5.9
85.02904	37.6
85.06519	16.1
87.00829	6.6
87.04467	3.7
89.05992	3.2
91.05497	13.9
93.07050	48.1
95.04967	6.1
95.08007	6.1
95.08604	58.8
97.02891	10.6
97.06556	3.7
99.04455	9.5
99.08094	50.0
105.01864	11.7
105.07033	19.1
107.04972	3.5
107.08591	33.7
109.02898	7.7
109.10161	33.6
111.08048	6.2
115.03992	3.9
119.08591	18.7
121.10149	58.0
123.11718	20.0
127.03938	13.3
129.05444	6.5
133.10109	21.9
133.73993	4.1
135.11707	16.1
137.09619	6.9
144.46513	3.2
145.04974	6.4
147.06546	4.0
147.11732	10.2
149.09660	10.4
149.13261	30.4
150.03108	4.2
151.11183	5.4
159.03006	4.8
163.14824	28.6
173.13376	3.9
175.14809	28.3
177.01857	3.7
177.16377	31.8
181.05000	3.4
181.15852	26.5
191.10901	3.9
193.15891	92.6
194.02193	4.5
209.04424	45.6
211.16930	100.0
283.15344	4.4
434.45746	3.6
468.39627	4.0
476.32642	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48372	5.9
57.20699	5.7
60.27031	6.1
62.06086	48.7
67.05518	33.3
69.07081	9.5
70.06587	12.7
71.45079	7.4
75.50874	6.2
79.05489	14.6
81.07059	26.9
92.58952	6.0
93.07045	16.4
95.08607	22.8
97.37219	6.4
98.98462	8.7
105.07034	5.5
107.08598	8.7
109.10136	9.1
117.07111	6.3
119.08630	6.5
121.10136	7.1
187.23892	5.9
261.22229	7.7
304.26352	19.7
335.25720	100.0
342.32809	5.9
476.27866	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71649	0.3
53.03948	0.6
55.05260	0.5
55.05513	7.1
57.03180	0.6
57.03441	7.8
57.07077	0.6
58.70885	0.3
59.22541	0.3
62.06072	0.4
62.49377	0.3
65.03936	1.1
66.35625	0.3
67.05506	27.9
67.12031	0.3
67.12383	0.3
69.06709	0.5
69.07066	7.1
71.04988	0.9
71.08658	0.3
73.07082	0.3
79.05496	13.8
81.07058	23.4
82.07378	0.4
83.04970	0.9
83.08622	3.1
83.31697	0.3
85.06531	0.4
89.06046	0.4
91.05482	6.9
93.06445	0.6
93.07047	16.3
95.04964	1.7
95.08609	17.9
97.06530	1.0
97.10172	1.2
98.98470	0.5
102.40418	0.4
105.04523	0.7
105.07028	3.8
107.08596	6.8
107.09328	0.3
109.06503	0.6
109.10162	6.6
117.07008	1.0
119.08566	2.8
121.10141	5.1
123.08070	0.8
123.11710	1.3
124.01582	0.4
131.08548	2.4
133.10124	2.0
135.11691	2.3
137.13243	0.4
145.10141	1.3
147.11670	1.0
149.09703	0.4
149.13237	1.1
159.11668	0.9
161.13191	0.7
171.80101	0.3
173.13249	0.7
203.49377	0.3
208.80865	0.3
216.06395	0.9
240.48970	0.3
261.22162	0.6
289.81802	0.4
304.26257	2.1
335.25797	100.0
336.26157	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	476.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43622	3.3
55.01882	5.4
55.05516	3.5
58.46262	3.4
59.75502	3.5
65.28581	3.4
67.05508	14.1
69.07066	7.2
71.43139	3.8
79.05495	9.4
81.03464	4.9
81.07066	17.2
89.06051	7.1
91.05493	7.1
93.07058	7.4
95.04990	4.8
95.08627	10.6
97.06490	4.7
105.07007	5.7
107.04946	8.0
107.08603	5.5
109.10140	7.2
121.06541	10.1
121.10120	3.5
123.04436	26.3
125.05989	57.8
137.05977	35.3
139.03981	4.8
149.05989	100.0
153.05475	68.5
163.07541	64.3
171.63545	4.2
175.07399	3.8
175.89671	4.0
177.09154	10.9
179.07092	6.1
193.08601	6.7
220.03210	4.3
270.81897	4.1
409.23901	4.7
423.25296	10.6
441.26370	95.4
442.26331	4.7
476.26709	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	476.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
55.05511	2.3
57.07076	50.1
63.53989	0.9
67.05501	4.4
69.07069	2.1
73.06536	1.3
79.05495	3.0
81.03474	1.3
81.07062	2.5
83.05015	1.6
87.04472	11.0
89.06030	100.0
91.05479	14.9
93.07041	12.5
95.04987	4.7
95.08610	2.1
97.06571	1.3
103.05475	3.9
105.04549	2.1
105.07034	9.3
107.04972	1.8
107.07103	1.9
107.08615	6.1
109.06539	2.8
114.02084	1.0
117.07043	2.7
119.04944	6.5
119.08564	5.4
121.06506	53.2
121.10149	3.5
122.06846	1.1
123.08105	1.6
129.07045	1.4
130.08649	2.2
131.07076	2.5
131.08595	2.7
133.08603	61.8
134.08887	1.0
135.08112	2.9
135.11647	1.4
139.07581	1.2
144.09319	1.1
147.08044	22.0
147.09155	1.5
147.43384	1.0
148.08514	0.9
149.09627	3.9
149.13290	2.4
159.11722	4.5
161.10738	5.9
163.07547	1.4
163.11211	1.2
165.09113	14.9
167.10706	3.8
175.09726	1.8
177.11229	22.0
177.12779	35.5
191.10674	3.4
193.12379	1.8
203.14285	4.2
209.11719	5.6
211.13335	3.2
219.17413	1.6
221.15413	45.2
222.15607	1.7
233.15453	1.1
235.13289	3.0
239.15018	1.2
247.16986	2.8
253.14342	1.2
255.15924	1.6
265.18021	20.7
279.15866	1.4
309.20401	1.4
315.18201	3.0
371.24149	2.9
403.23309	8.7
415.27087	2.5
422.80530	1.0
459.29517	45.8
460.29825	3.3
476.32062	4.6
477.24088	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20257	10.8
57.03441	16.5
69.07075	11.1
70.19254	10.6
72.76102	10.3
73.25491	11.3
87.27160	11.9
91.05504	14.8
105.07049	10.2
107.08611	14.2
109.10135	11.9
113.81096	11.1
117.05523	22.4
119.08578	25.5
120.84968	11.0
121.10111	11.3
131.08575	28.8
133.10107	19.9
145.10138	34.6
157.10066	17.4
159.06534	100.0
171.11728	16.1
173.13277	17.1
175.14813	13.2
185.13214	14.4
246.21277	12.1
338.26096	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93090	17.4
67.05501	20.3
69.07072	29.3
70.92455	25.7
79.89336	16.7
81.07069	60.6
84.76558	17.0
86.79041	18.8
93.07080	20.6
95.08635	42.4
107.08612	28.7
109.10165	54.1
123.11687	27.3
129.88087	20.1
153.05412	24.1
163.14911	25.4
165.09137	43.9
203.10681	28.2
205.12297	19.4
288.47302	21.1
441.33368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
57.07071	1.6
59.25042	1.1
67.05500	5.1
69.07068	3.6
79.05515	1.5
81.07059	2.5
83.08609	1.1
83.81544	1.2
87.80544	1.2
95.08611	5.0
99.40352	1.2
113.41513	1.2
123.08081	6.0
137.05963	16.6
147.04373	2.6
149.09608	1.3
151.07538	100.0
152.07826	1.8
163.07518	3.2
175.04018	2.0
177.09128	12.8
191.10661	10.0
205.12209	3.8
213.00777	1.4
219.06519	3.9
219.13696	2.5
220.57124	1.3
221.15359	3.8
284.29517	2.6
303.23047	3.4
317.24722	15.2
345.27759	1.5
360.16138	1.6
373.31027	4.4
378.17120	6.8
387.32541	29.0
393.19574	1.7
396.18130	1.6
401.18768	1.5
415.22189	1.5
433.23224	6.6
435.20474	1.9
436.59814	1.2
438.05435	1.2
469.54529	1.4
476.26917	3.4
476.33603	6.1
477.21164	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	476.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05260	0.6
55.05515	7.1
56.96527	0.3
57.07086	0.6
63.78061	0.3
67.05511	3.0
69.03433	0.8
69.07066	5.1
69.64477	1.1
79.05474	0.6
81.07052	3.6
83.01350	1.2
83.08273	0.3
83.08632	3.3
86.06064	1.5
87.04472	3.6
90.97883	0.4
91.05492	1.0
95.04951	0.3
95.08622	3.2
97.10166	1.6
98.22689	0.6
104.07101	5.8
107.04974	0.5
109.06528	2.6
109.10161	1.2
111.11670	0.4
121.06504	0.7
123.04427	3.0
123.11685	0.6
124.93767	0.4
125.05990	0.4
133.06508	0.4
135.04388	1.6
135.08049	0.7
137.05980	100.0
138.06322	1.2
145.10039	0.4
147.08038	0.3
149.05988	3.7
149.09605	1.5
151.07524	3.0
163.07549	15.5
165.09140	0.9
177.09109	28.1
178.09506	0.4
179.10727	0.7
183.67110	0.3
191.10678	7.5
193.12263	1.1
205.12245	5.8
207.13821	2.4
219.13782	0.8
221.15367	1.0
233.15321	0.6
247.16928	1.6
261.18481	0.9
261.22198	0.3
261.47672	0.3
278.60480	0.4
285.22217	0.4
289.21548	0.3
303.23187	33.1
304.23441	0.8
338.11020	0.3
373.31012	32.6
374.31387	1.2
477.19724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13182	1.5
55.05497	5.1
63.17966	1.3
67.05489	3.7
69.07068	3.1
69.10797	5.9
69.11208	4.8
74.60188	1.5
81.07040	3.7
88.64056	1.5
93.64649	1.6
95.08607	6.4
97.10191	2.3
98.23089	7.8
123.04375	2.1
123.08063	6.1
136.08379	1.7
137.05956	25.6
139.93575	1.5
151.07532	100.0
152.07965	2.5
163.07587	4.3
165.08997	1.7
177.09155	14.8
191.10666	12.2
205.12251	3.2
219.13799	2.5
221.15291	3.7
255.80472	1.8
303.23148	5.6
317.24747	15.8
373.30887	4.1
387.32529	30.3
477.26068	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	477.1369
Annotation	5,7,3'-Trihydroxy-3,4'-dimethoxyflavone 8-C-rhamnopyranoside
Peak:m/z	Relative Intensity
57.45055	0.4
67.05494	0.5
69.03423	1.1
70.93797	0.7
79.05511	0.5
81.03416	1.7
81.13896	0.4
85.02914	1.6
85.34148	0.4
86.95804	0.4
97.02893	0.5
97.06691	0.5
97.97627	0.4
98.22813	0.5
99.04478	0.7
105.03420	1.5
107.71632	0.4
109.02905	1.3
119.85513	0.5
127.03932	0.7
145.02600	1.2
167.03168	0.5
185.04172	0.5
227.05321	1.6
229.08324	4.1
269.10028	1.9
271.04248	3.4
293.09970	0.6
311.11005	8.4
355.10010	16.6
356.10379	0.6
381.07019	0.4
391.13608	2.5
433.14703	31.8
434.14929	0.8
459.27603	0.9
462.91299	0.4
477.13696	100.0
478.14120	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	477.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01858	4.6
57.03441	4.8
59.73514	1.0
61.02931	11.2
62.92424	0.8
62.93555	0.9
65.03941	3.3
69.03433	18.5
69.37240	4.8
71.04983	3.1
73.02914	4.3
79.05470	1.1
80.03381	0.9
81.03419	8.0
83.04981	1.7
85.02904	100.0
86.03218	1.3
87.04465	2.4
91.03952	5.8
97.02897	23.5
98.23405	2.5
99.04453	4.8
105.07024	4.6
106.07368	2.2
109.02863	7.1
115.03928	1.2
116.98590	0.8
121.02862	36.4
127.03918	29.5
127.04863	1.7
129.05530	1.6
133.06482	2.9
134.06833	2.7
135.04404	6.6
139.03911	3.2
142.66420	1.0
145.04956	50.8
147.08022	1.8
153.05466	40.5
161.05988	7.9
162.06331	7.5
163.06030	15.1
193.08575	6.5
194.08939	6.8
205.04752	2.5
245.35025	0.9
267.12366	1.8
310.89398	1.0
477.17166	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02381	0.5
53.03944	0.9
53.39038	0.2
55.01871	0.6
55.05507	2.2
57.03420	1.2
65.03932	0.5
66.04737	0.2
66.95532	0.2
67.05498	0.8
68.99802	0.2
69.03428	1.9
69.22506	1.1
75.04483	0.5
77.03919	2.1
77.04325	0.3
79.05487	16.5
80.06263	0.3
81.03428	0.3
81.07058	1.0
85.02907	2.7
88.18034	0.2
91.05475	14.8
93.03400	0.4
93.07039	53.3
94.07369	0.9
95.04961	5.2
95.08561	0.3
103.03941	0.9
103.05459	1.8
105.03400	0.3
105.04507	2.7
105.07022	12.6
106.07806	0.9
107.04973	0.9
107.08586	7.3
107.09337	0.2
109.06499	0.6
110.03632	0.8
115.05428	0.5
116.06244	0.6
119.04916	0.6
119.06075	0.2
119.08577	2.8
120.02062	0.3
121.02867	2.8
121.06501	0.9
121.10135	89.5
122.10454	1.9
123.08067	1.6
125.06017	0.2
129.06989	0.5
131.04918	0.8
131.08559	3.9
133.02850	1.8
133.06607	0.4
133.07608	1.4
135.04298	0.3
135.08076	0.2
137.02307	0.7
137.05971	0.5
138.03087	1.9
139.50200	0.2
147.04448	0.6
148.01538	0.4
149.02336	4.2
149.09607	25.9
150.03105	8.3
150.09929	0.7
151.03813	0.6
153.05412	1.0
159.04443	1.1
162.03102	0.9
163.03894	0.6
164.04669	0.3
165.01848	0.3
165.05466	1.8
166.02611	2.8
167.10634	1.5
171.04398	0.3
175.03876	0.6
176.04697	0.6
177.01819	13.7
177.05409	0.9
178.02518	0.5
179.03383	0.9
180.00514	0.4
181.01419	0.3
181.04938	8.3
187.03882	1.1
188.04553	0.2
190.02596	0.6
191.03365	5.5
191.07022	0.3
192.04070	0.3
193.04935	1.4
194.02087	14.6
195.02794	1.4
195.04373	0.3
197.04419	1.3
199.03905	0.6
201.05385	0.2
202.02396	0.2
202.43997	0.2
203.03340	0.4
204.04173	0.7
205.04985	2.9
206.02029	0.3
207.02940	0.5
207.06482	0.4
209.04434	100.0
210.04762	2.5
211.02382	0.2
215.03386	0.8
216.04112	0.3
219.02876	0.6
219.06531	1.1
221.04446	2.2
223.02478	0.3
223.05923	0.9
223.13071	0.2
225.03925	0.4
228.03664	0.2
229.04942	0.3
232.03665	0.4
233.04417	3.5
235.06046	0.6
237.03960	0.8
245.04404	0.3
247.06023	2.5
251.03046	0.4
251.05501	7.2
251.12675	0.7
252.05775	0.2
257.04346	0.5
260.03143	0.7
263.05478	2.2
275.05466	4.5
281.06403	0.4
293.06522	3.1
310.69330	0.2
311.07626	1.6
329.08475	0.9
410.03406	0.2
434.15005	0.2
477.31067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2616
Annotation	Mulberrofuran Z
Peak:m/z	Relative Intensity
58.08166	0.8
70.51825	0.8
70.52151	1.8
75.99046	0.8
137.06017	2.5
138.06418	0.9
149.53268	0.8
151.07535	6.4
163.07596	1.0
165.09119	1.8
166.09567	1.5
177.09193	1.8
178.30109	0.9
261.49203	1.0
360.29800	1.5
477.26126	100.0
478.26279	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	477.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47588	0.8
55.01872	7.2
55.05513	27.5
57.03438	15.4
57.07065	1.5
59.05006	2.9
61.02923	1.4
64.91125	0.7
67.05508	24.2
69.03430	8.0
69.07069	31.0
69.09004	4.3
69.09418	2.6
71.01353	1.6
71.04996	62.4
72.59653	1.0
73.02928	3.1
75.04486	6.3
77.03918	1.1
77.36606	0.9
79.05498	26.8
79.05952	1.9
81.03428	12.1
81.07054	24.8
83.04987	23.6
83.05495	1.0
83.08617	11.2
85.02908	100.0
85.06562	1.9
86.03284	1.2
86.06058	1.1
87.04475	2.3
90.86485	0.9
91.05484	13.5
93.07043	23.0
93.07603	1.3
95.04962	11.4
95.08622	8.4
97.02895	7.2
97.06561	3.3
97.10172	20.2
97.10744	1.5
98.22650	1.7
99.04471	2.8
99.08080	4.9
100.08453	2.2
101.06026	1.0
103.03973	1.4
105.04527	1.8
105.07025	11.9
107.04964	15.3
107.08598	16.0
107.09264	1.3
108.08921	1.0
109.02890	1.3
109.06524	6.3
109.10139	7.8
111.04443	8.8
111.08095	2.7
113.06029	1.0
115.05498	2.1
117.07033	5.3
119.04969	1.3
119.08582	8.2
121.06516	10.4
121.10147	21.2
123.04462	1.5
123.08084	4.6
123.11701	17.7
125.06033	1.9
125.09637	15.4
127.03925	4.4
127.11289	0.9
128.06207	1.4
129.05484	43.8
129.06915	5.7
131.04962	2.7
131.08562	7.2
133.06522	4.0
133.10126	6.0
135.08083	5.1
135.11731	3.5
135.13704	0.8
137.05952	1.7
137.09641	1.1
141.07040	2.4
143.08586	3.4
145.05013	3.0
145.06471	7.7
145.10138	4.0
147.04530	1.4
147.06561	18.6
147.08051	3.8
147.11746	3.9
149.06078	1.0
149.09639	4.8
151.07639	1.2
151.11176	22.5
153.06999	1.0
153.09148	4.0
153.12849	1.6
155.08612	2.2
157.06529	2.9
157.10184	3.7
159.08066	2.6
159.11790	1.9
161.06001	1.4
161.09673	2.0
163.11209	2.1
166.07677	1.1
167.08601	1.4
169.10156	1.5
169.12242	1.2
171.08070	1.6
171.10294	1.9
171.11790	3.6
173.09654	2.0
173.13333	1.4
175.07657	1.1
175.11240	3.1
177.01920	2.3
177.12772	1.1
181.04910	1.3
181.10095	0.9
183.11790	1.1
185.09645	1.8
185.13303	1.5
187.11195	1.6
187.14856	1.4
189.11276	9.5
189.12834	2.5
191.10677	0.9
191.14186	1.0
193.10602	1.3
193.12218	6.4
193.15959	4.1
194.02238	2.5
194.16251	4.1
195.13879	0.9
197.13327	1.4
199.11237	2.9
201.12881	1.3
203.11047	1.0
203.14401	0.9
205.04987	1.2
205.12292	1.6
209.04460	18.0
209.13301	0.9
211.13367	3.4
211.16998	1.5
213.12860	1.3
215.14391	3.2
217.12343	1.4
219.13884	1.9
221.11577	0.9
223.11314	1.1
223.13275	1.6
227.12885	4.0
229.18066	2.6
231.13940	1.8
233.13280	1.4
233.15363	7.5
235.13300	1.6
237.12718	1.7
241.14413	2.6
243.13815	1.9
245.15536	1.2
249.15181	1.1
251.05698	1.2
255.13759	1.4
257.15497	1.1
259.13327	1.0
267.15945	5.1
271.17010	1.7
273.14865	6.8
289.17880	1.1
291.15924	2.0
297.17038	6.7
321.22342	1.0
323.59628	1.0
328.90286	0.9
339.23245	2.9
341.21436	1.1
349.21573	7.7
357.24258	3.4
358.24622	1.1
367.22668	26.3
385.23712	41.3
385.28629	2.1
403.24808	11.4
433.18103	1.0
441.26181	4.3
459.27417	34.0
460.28046	2.6
477.17572	2.1
477.28537	30.9
477.34302	5.5
478.28943	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
54.77611	1.1
55.01867	1.5
55.05499	5.1
57.03436	1.6
67.05513	8.4
68.99798	2.0
69.03444	1.3
69.07063	5.7
69.52823	4.7
79.05505	7.2
81.07054	11.0
83.08627	3.1
85.02911	2.4
85.06544	1.2
91.05461	6.4
93.07050	5.4
93.95004	1.0
95.04949	2.5
95.08593	7.4
97.06494	1.7
97.10146	2.4
103.45248	1.0
105.07043	3.7
107.04961	2.6
107.08598	3.5
109.06531	4.8
109.10198	3.1
111.08085	1.6
113.02336	1.4
115.03864	1.7
117.07019	2.7
119.04907	1.5
119.08566	1.9
121.06516	4.3
121.10133	3.3
123.04416	1.4
123.08061	2.3
124.93761	3.4
125.05988	9.8
127.03934	1.6
129.06981	2.3
131.08606	1.8
133.10091	1.3
134.16133	1.1
134.34238	1.1
135.08052	2.3
135.11655	1.2
137.05974	100.0
138.06364	1.6
139.03932	2.3
139.07552	2.2
141.01833	1.4
142.94853	1.6
145.06488	1.2
147.04437	1.2
147.08009	1.9
149.06079	1.2
149.09634	2.0
151.07533	10.6
153.05444	8.0
155.03337	1.5
155.08583	1.1
157.10141	1.3
159.08092	1.7
161.05984	4.9
161.09621	1.6
163.07539	17.1
165.09163	1.6
169.04936	4.3
175.07555	7.8
177.05527	1.2
177.09116	11.4
179.08553	1.2
187.07512	2.6
188.72707	1.1
189.09171	2.6
191.06960	1.3
199.07552	2.1
201.09135	4.6
213.09120	2.6
214.10045	1.1
215.10719	1.7
225.09200	1.6
227.10670	6.3
229.12097	1.1
241.12265	1.5
278.65112	1.2
306.27939	1.3
331.12030	1.2
345.24246	3.8
353.24896	1.8
381.24173	4.9
383.25528	2.2
385.23727	1.6
395.17859	1.7
399.25357	5.2
409.23712	4.3
415.28381	4.0
427.24875	10.5
431.27347	1.3
433.29340	3.0
441.26733	5.5
441.31537	1.2
459.18933	2.7
459.27432	33.3
460.27710	1.9
477.19788	5.3
477.27811	31.5
478.28497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01874	10.3
55.05513	50.6
57.03441	7.3
59.04987	1.8
65.03943	2.7
67.05163	2.6
67.05508	45.5
69.03432	6.6
69.07067	12.0
71.04997	3.3
77.03950	2.6
79.05496	50.9
81.03417	20.4
81.07063	44.6
81.07476	1.2
83.04985	9.4
83.08623	30.7
85.06548	3.3
86.24599	1.4
90.98325	1.2
91.05479	34.3
93.07045	27.2
95.04976	20.8
95.08606	19.0
97.06538	8.4
97.10173	46.0
103.05465	1.7
105.07040	22.4
107.04958	32.4
107.08590	26.7
109.06525	6.5
109.10168	13.8
111.04427	2.9
111.08087	5.7
113.06004	2.6
115.05463	4.6
117.07025	18.0
119.04953	3.9
119.08592	16.2
121.06504	23.9
121.10122	7.5
123.04449	3.7
123.08078	8.4
123.11691	1.6
125.05971	1.8
125.09631	33.8
128.06189	2.3
129.07002	12.4
131.04926	4.3
131.08568	16.2
133.06512	10.1
133.10155	8.0
135.04396	2.2
135.08061	11.0
135.11697	4.5
137.05936	1.7
137.09621	3.2
141.06987	3.3
143.08582	8.1
145.06485	20.8
145.10121	10.2
147.04388	6.1
147.08031	10.0
147.11713	11.3
149.09625	5.3
149.13263	2.3
151.07457	1.7
153.09128	10.1
153.12717	3.4
155.08551	5.3
157.05023	1.3
157.06477	4.5
157.10114	6.6
159.08040	6.4
159.11694	4.6
161.06021	3.3
161.09604	4.4
163.07516	1.7
163.11206	5.9
165.12753	2.3
167.08583	1.9
169.10135	4.5
171.08069	3.2
171.10231	2.8
171.11694	4.6
173.09612	4.6
175.11168	7.6
177.12756	2.9
181.10103	2.6
183.08057	2.3
183.11580	1.8
185.09564	2.4
185.13242	2.9
187.11223	4.8
187.14879	2.3
189.09363	2.1
189.11220	23.4
189.12766	3.2
193.12251	15.1
195.11760	2.6
197.09634	3.1
197.13251	4.2
199.11218	5.0
203.10640	1.5
205.12268	2.3
205.15842	1.6
209.13382	2.6
211.13258	4.6
213.12817	4.4
215.14322	7.2
217.12260	3.7
219.13879	1.9
223.11287	2.7
223.13217	2.8
225.12814	3.0
227.12563	8.5
229.15860	2.1
231.13791	1.5
233.15388	20.1
235.13342	2.4
237.12784	2.8
239.14310	1.8
241.12318	1.6
241.14334	6.9
243.13799	2.8
249.14903	3.7
255.13814	5.9
257.15164	1.9
259.13306	2.4
259.78302	1.4
261.14871	2.0
267.15952	7.6
271.16864	3.2
273.12048	2.6
273.14841	20.5
287.16544	1.7
291.15884	4.0
311.24054	1.8
325.21811	1.4
331.20438	3.2
339.23218	5.4
341.21301	1.7
349.21640	19.9
357.24188	9.4
367.22681	57.0
368.22946	2.5
385.23737	100.0
386.24103	3.4
403.24823	24.7
405.24222	2.3
423.25378	2.6
433.25543	2.7
441.26270	9.0
459.27441	74.9
460.27817	4.6
465.60748	1.5
477.28448	70.1
478.28461	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	477.3215
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
51.81001	0.7
55.01868	1.2
55.02617	0.7
55.05511	7.1
57.07072	1.8
59.05005	1.0
62.31152	0.7
63.25515	0.8
67.05497	4.4
69.07069	25.5
79.05486	3.0
81.03412	2.7
81.07050	6.8
83.01333	1.0
83.08623	3.6
85.06565	0.9
91.05482	2.9
93.07055	4.9
95.01323	0.8
95.04964	1.9
95.08614	5.2
97.06556	1.2
97.10170	1.5
99.00800	3.9
99.04450	1.6
105.07035	2.5
107.04951	0.8
107.08609	4.4
109.06549	2.2
109.10161	3.1
110.86909	0.7
111.08115	1.6
111.11742	1.0
112.01310	0.8
113.02355	0.9
121.06499	1.7
121.10155	2.0
125.05993	0.9
125.09614	0.8
131.08598	1.1
135.08047	0.9
135.11693	1.1
137.05994	1.0
139.86049	0.8
151.07581	1.7
153.05524	1.0
163.07565	1.3
165.09108	1.1
172.10324	0.9
175.07584	1.5
181.04955	8.4
183.06555	1.4
189.09131	1.8
191.07016	0.9
193.12236	2.4
195.06517	15.4
205.08571	1.1
209.08080	7.7
223.09602	9.1
235.09737	1.4
237.11229	7.7
249.11293	2.0
251.12747	4.7
265.14044	1.1
267.15997	1.4
293.17569	2.7
305.14246	0.8
305.17548	1.3
321.20670	2.5
328.59488	0.9
385.23795	1.8
459.31781	5.6
477.32162	100.0
478.32751	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	478.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.1
55.01891	7.5
57.03430	7.7
67.05516	7.5
69.03429	38.9
73.02911	9.5
81.03436	33.3
82.50440	7.3
85.02910	100.0
87.00833	34.9
89.41662	7.8
91.47997	8.2
97.02886	41.7
97.16836	6.0
99.04469	16.2
105.01867	38.9
108.04478	10.2
109.02888	30.5
126.05508	7.5
127.03928	82.6
145.04964	47.5
152.38939	7.7
159.02904	32.3
231.04990	19.6
248.07758	7.6
340.88928	7.3
347.51746	7.0
366.28537	7.3
422.57950	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	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47525	0.5
53.03941	1.0
55.01878	1.2
55.05505	2.3
67.05495	3.8
69.03424	1.8
69.07056	2.2
69.31866	3.6
71.04982	2.9
77.03878	0.9
79.05491	12.3
81.07058	15.4
83.04968	2.3
83.08619	0.7
85.02898	1.5
85.06542	2.1
85.76512	0.8
91.05478	6.7
93.07043	27.4
95.04960	3.0
95.08612	4.7
97.06515	4.1
99.04459	6.8
101.06015	0.7
102.05461	0.6
105.07028	11.5
107.04951	6.6
107.08596	16.1
109.06518	13.3
109.10155	1.2
111.04428	0.7
111.08062	2.3
117.07009	1.4
119.08573	9.6
120.04556	0.9
121.06511	17.3
121.10114	4.7
123.08073	1.7
125.05991	1.0
127.03905	0.8
127.07536	3.6
129.06995	2.8
131.08563	5.4
133.06517	1.2
133.10121	6.8
135.04396	5.4
135.08041	8.7
135.11702	2.7
137.05989	2.4
139.07529	1.4
142.07765	1.4
143.08572	6.4
145.06441	1.6
145.10121	6.7
147.08044	3.6
147.11682	16.7
148.06137	0.7
151.07504	1.3
153.09123	2.1
155.08406	0.7
156.09335	1.8
156.10570	0.7
157.10117	9.4
161.09685	1.3
161.13222	4.7
163.11186	1.5
166.07829	1.3
166.73178	0.7
171.11662	11.2
173.09613	6.1
173.13274	2.7
175.11180	11.8
177.16389	2.3
181.10135	1.7
189.12746	16.6
191.10617	1.3
191.14302	0.8
193.12260	2.1
199.11192	13.2
207.13780	8.8
217.12231	41.2
235.13283	100.0
236.13605	3.3
238.43645	0.7
253.14342	31.5
321.13242	6.0
339.14392	13.9
356.88455	0.7
357.15509	1.4
479.18475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38171	0.4
54.91793	0.4
55.05508	3.0
57.03429	1.9
60.04507	0.4
69.47149	0.9
69.47536	1.0
69.96074	0.4
71.04641	0.6
71.04999	9.0
75.04496	0.5
77.03925	1.0
79.05492	0.7
83.04984	18.4
85.02908	17.0
89.14862	0.4
95.04975	1.8
97.02914	0.9
102.81343	0.5
105.04519	1.2
111.04456	2.9
124.18262	0.5
127.03905	0.6
129.05482	19.0
134.77879	0.4
135.04416	100.0
136.04771	1.6
141.37680	0.4
147.06541	2.2
153.05469	45.0
180.08577	0.5
263.09219	1.0
272.17227	0.4
428.57202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01865	0.9
55.05500	1.1
57.03438	9.7
59.05001	0.4
61.02633	0.4
61.02920	3.6
64.76163	0.3
65.03906	0.3
69.03426	11.9
69.52898	0.5
71.01344	1.3
71.04994	0.5
71.06863	0.3
73.02916	20.3
77.03926	0.3
79.05480	1.8
81.03416	1.2
81.07042	0.3
83.04981	0.5
85.02904	15.4
87.04457	1.0
91.03963	0.6
91.05484	2.2
93.07040	5.3
95.05002	1.4
97.02889	16.1
99.04447	0.9
103.03947	0.6
103.05456	0.5
105.04534	0.4
105.07038	2.3
105.70200	0.3
107.04951	15.1
107.08591	1.0
109.02884	1.3
109.06483	0.5
111.04440	0.3
115.03926	13.8
116.06206	0.5
117.07017	0.3
119.08548	0.5
121.05714	0.5
121.06511	5.5
121.10138	5.5
123.08037	0.4
127.03912	5.1
129.06917	0.3
131.04970	0.3
131.08591	1.9
132.06544	0.8
133.04967	4.4
133.06502	2.4
133.07518	0.6
134.07274	2.4
135.08124	0.4
139.03909	0.4
144.06572	0.4
145.04950	5.0
145.06473	4.1
147.08025	2.7
149.05956	1.4
149.09610	100.0
150.07603	2.4
150.09935	1.7
151.03905	0.6
151.11133	0.4
157.06442	0.4
158.79744	0.3
159.08069	0.5
161.05969	2.1
161.09628	0.9
163.06010	1.5
163.07478	0.8
163.11185	5.2
173.05936	0.4
173.09561	0.6
175.07561	0.6
175.11130	0.7
177.09091	0.4
179.10635	0.4
180.08685	1.0
185.05991	0.6
187.11142	2.1
189.09113	2.9
189.12769	1.2
191.10619	3.0
193.04970	0.6
199.11209	0.6
203.07057	1.1
203.10617	3.2
205.08852	0.3
205.12242	0.6
207.10110	0.6
215.10635	2.1
217.12250	1.4
221.08098	1.0
223.05995	1.2
227.10666	0.4
229.12422	0.3
233.11655	1.8
234.15894	0.3
241.07076	1.1
245.11722	6.1
259.08124	1.1
263.12756	8.1
275.12790	1.9
281.13828	1.2
293.13812	1.6
295.10172	0.7
317.06512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12016	1.7
55.05524	2.3
57.03441	9.4
61.02926	2.5
64.13132	2.0
67.05504	9.2
69.03436	5.5
69.62273	6.9
71.04997	34.8
73.02920	3.5
79.05513	3.2
79.88460	1.8
81.07074	4.6
83.04970	10.9
85.02908	76.2
87.04459	2.7
87.45371	2.2
91.05508	4.9
93.07064	3.5
95.08609	6.3
97.02895	7.5
99.04452	2.0
101.05935	3.0
103.03973	2.1
107.04974	8.3
109.02927	2.4
110.87444	1.9
111.04440	32.6
119.04961	6.2
119.08626	3.5
121.02892	15.9
121.06501	2.6
123.04431	7.8
127.03931	7.0
129.05504	24.9
133.06549	4.4
137.02309	2.1
137.06029	3.7
139.03897	100.0
145.04927	6.4
145.06458	2.4
147.04417	13.7
147.06532	6.5
147.08012	3.6
149.05992	7.4
149.09610	23.5
151.03889	6.5
153.05466	35.5
161.05992	15.5
163.03918	24.3
163.07552	4.5
163.11209	3.4
165.05486	29.6
177.05547	12.8
179.07039	54.3
181.04982	4.2
189.05377	2.4
191.10641	4.2
193.08699	2.6
198.28836	2.1
199.11259	5.2
201.09442	2.2
203.10638	3.3
217.12254	5.3
227.10718	10.6
227.92839	2.4
245.11728	44.2
263.12802	75.3
264.12943	3.0
281.13834	65.8
299.11511	3.2
299.14886	66.6
311.14896	7.3
334.69366	2.5
479.15405	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	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49954	3.1
54.09910	2.7
54.38432	3.0
57.03437	51.3
61.02912	14.1
61.21029	2.7
64.80508	2.9
67.05502	6.0
69.03065	4.6
69.03429	50.1
69.39429	11.1
69.39822	6.1
71.01355	4.9
71.04990	5.2
72.50909	2.7
73.02917	100.0
79.05495	9.5
81.03414	9.1
81.07058	5.7
81.40923	3.0
85.02901	78.0
87.00803	3.4
87.04457	6.9
91.05476	4.4
93.07027	9.1
97.02889	81.6
98.23528	5.7
99.04462	3.8
107.08580	7.8
109.02876	7.1
111.04419	8.6
115.03936	67.1
119.08541	4.5
121.10140	9.8
125.05951	5.0
127.03915	21.9
133.04938	21.8
135.04393	3.6
135.11681	5.3
137.05951	4.6
144.06538	5.5
145.04947	26.7
149.09613	13.0
150.07634	4.0
150.10020	4.0
163.06004	7.0
163.11162	3.6
167.10684	88.5
168.13948	3.2
181.04961	6.4
181.56201	3.1
190.09892	4.8
195.13922	5.4
196.07280	8.3
206.09369	6.2
211.09607	4.7
212.17339	3.1
217.12114	4.4
221.11707	16.8
223.05980	4.2
235.13197	5.2
241.07068	5.3
249.21095	3.7
259.08243	5.2
263.12891	3.4
281.13757	20.8
311.14862	3.8
477.31061	3.5
478.13876	7.2
478.31735	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	478.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.3
55.05503	30.8
55.65659	3.8
56.05855	8.6
57.03431	9.1
57.07052	4.1
59.04987	4.3
67.05498	37.0
69.03436	23.4
69.07068	24.3
70.04421	10.8
73.02907	4.2
79.05501	44.4
80.05849	4.3
81.03413	18.5
81.07059	45.3
83.04970	9.0
83.08611	17.0
85.02906	41.6
85.06559	8.8
86.52593	3.7
87.00812	14.7
87.04460	6.8
91.05489	25.1
93.07051	39.3
94.07386	5.5
95.04958	13.6
95.08611	57.3
97.02898	29.3
97.06522	5.1
97.10186	23.0
98.10486	6.9
99.04504	4.7
99.08092	6.8
105.01853	19.5
105.07025	23.0
107.04964	14.5
107.08605	43.9
108.08908	5.5
109.02882	13.0
109.06469	6.9
109.10155	19.5
111.08060	8.3
115.03910	12.9
117.07005	8.5
119.08606	12.7
120.08947	4.8
121.06507	14.6
121.10140	39.6
123.08105	6.4
123.11700	16.6
125.09589	11.1
127.03924	22.7
129.07004	6.6
131.08559	8.7
133.05002	6.5
133.10139	12.7
135.07988	5.1
135.11681	12.7
136.06270	5.0
137.13251	6.6
145.04956	17.5
145.06488	6.0
145.10164	6.4
147.11681	12.5
149.13251	15.0
151.07544	4.2
157.10170	5.7
159.11693	6.9
161.13246	6.4
163.14804	4.5
171.11748	10.2
175.14798	5.5
177.16389	100.0
179.17952	6.1
189.11263	5.7
190.11534	5.7
195.17432	47.7
201.16246	4.3
206.42345	4.2
231.04967	7.2
233.15363	4.4
274.15195	4.8
281.17505	64.7
350.21841	9.1
368.23114	25.8
385.23874	5.5
386.23996	40.1
389.19009	4.2
404.25098	9.5
407.20630	8.3
435.19760	11.8
443.22696	5.0
460.27744	39.5
478.29031	29.5
479.19183	61.5
479.25571	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	478.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38717	4.5
55.01876	5.6
55.05506	18.0
57.03452	6.8
67.05508	34.6
68.05841	8.0
69.07064	14.4
69.35822	25.0
79.05496	36.7
81.03419	15.3
81.07050	36.7
82.07386	5.8
83.04966	8.2
83.08623	11.9
85.02908	12.5
91.05471	34.6
93.07043	44.5
95.04948	25.5
95.08590	31.1
97.02917	6.6
97.10178	8.8
105.07044	30.7
107.04969	17.4
107.08621	15.9
108.05310	7.8
109.06471	5.6
109.10151	10.9
119.08586	18.2
121.06447	5.7
121.10173	11.0
123.11726	6.1
125.09622	5.0
127.03940	6.0
129.07024	9.4
131.08554	6.9
133.10118	9.0
135.08119	8.6
136.06206	16.3
139.11211	7.9
143.08577	6.4
145.10118	11.6
147.11710	19.5
151.07524	16.7
171.11739	14.9
177.16400	9.4
191.10684	7.1
193.12398	6.2
195.17513	5.6
207.13846	13.2
217.12407	5.5
234.13556	5.1
281.17429	100.0
289.91168	5.3
338.73376	6.0
368.22955	13.6
386.24142	15.5
435.19736	9.6
460.27734	20.2
478.28610	22.8
479.18887	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05515	10.3
56.07075	0.8
57.03448	4.8
57.07078	1.3
62.06092	26.2
67.05506	28.0
69.07077	14.3
69.85244	2.3
73.12117	0.7
79.05499	7.2
81.07058	27.3
83.08640	6.9
84.44411	0.7
85.06538	0.9
89.23119	0.9
91.05480	4.4
93.07043	7.8
95.05006	1.0
95.08604	17.6
97.06523	1.4
97.10168	3.1
98.06041	0.8
98.98477	8.7
105.07015	2.3
107.08590	4.2
109.10165	6.5
119.08601	3.2
121.10164	4.2
123.11729	2.4
124.01588	2.2
133.10138	2.4
135.11729	1.7
137.05998	0.9
137.13251	1.4
141.25624	0.8
142.02643	1.0
146.02167	0.7
147.11688	1.6
149.02370	1.0
149.13277	1.7
151.14896	0.9
155.01030	4.1
161.13228	1.7
163.14838	1.7
163.99774	0.7
173.02028	0.9
175.09659	0.8
194.92465	1.1
198.05286	1.8
216.06277	4.2
245.22664	2.1
263.23682	5.4
300.68362	0.8
306.27914	12.9
337.27365	100.0
338.27573	2.4
395.20828	1.1
418.15002	1.6
419.21127	1.5
460.28250	5.2
478.25116	1.4
478.29831	1.5
479.13846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.45855	0.2
53.03935	0.4
55.05511	10.5
57.03438	6.5
57.07077	2.2
62.06075	0.5
65.03927	0.8
67.05504	22.9
67.55503	0.2
69.07067	14.3
71.04991	0.5
71.08617	0.7
76.89540	0.2
76.90247	0.2
79.05494	5.8
81.07055	24.7
82.07394	0.3
83.04960	0.8
83.08621	7.8
85.06523	0.7
85.10204	0.2
91.05476	4.2
93.07047	6.5
95.04982	0.5
95.08603	17.4
96.08949	0.2
97.06521	1.2
97.10160	3.4
98.06035	0.6
98.88659	0.2
98.98429	0.5
99.08066	0.5
105.04504	0.2
105.07026	3.1
107.08596	3.6
109.06475	0.5
109.10158	6.4
111.08074	0.9
111.11716	0.6
117.06986	0.2
119.08593	2.8
121.10156	2.3
123.08084	0.4
123.11693	2.9
124.01618	0.4
125.09644	0.5
133.10106	2.0
135.11693	1.4
137.09653	0.2
137.13268	0.9
147.11688	1.6
149.13274	0.5
151.11198	0.3
153.12669	0.2
155.01051	0.2
161.13260	1.3
163.14764	0.3
175.14828	0.6
177.16356	0.3
198.05374	0.3
216.06328	0.7
245.22740	0.4
263.23679	0.8
267.96802	0.2
306.27899	5.9
307.28287	0.3
329.76294	0.2
337.27341	100.0
338.23880	0.4
338.27695	3.8
469.68747	0.2
478.29620	0.3
479.28745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19489	1.3
53.03955	1.2
55.01869	1.4
55.05511	3.1
56.05030	3.9
57.03436	2.1
57.07074	2.3
60.04525	92.5
61.02934	2.2
63.17154	1.2
67.05502	10.4
69.03427	8.9
69.07066	4.4
71.45714	1.4
72.04511	6.1
72.76735	1.2
74.06082	6.9
79.05494	4.5
80.05009	1.3
81.03410	4.0
81.07050	8.5
82.06591	1.9
83.08607	3.1
83.16815	1.5
84.04504	4.7
85.02910	15.4
86.06065	3.8
87.59715	1.4
90.05539	1.4
91.05479	3.1
93.07043	4.1
94.06536	1.6
95.08598	9.3
97.02888	7.0
97.10159	2.0
98.06075	1.5
100.07603	1.2
100.58385	1.3
102.05539	7.4
104.07104	2.1
105.03600	1.2
105.07024	2.5
107.08611	1.9
109.02917	1.4
109.10169	3.4
116.07037	1.8
119.08558	1.6
121.10171	1.7
127.03909	2.4
134.27589	1.1
135.11705	2.0
206.10216	3.0
224.11319	5.1
250.25346	2.7
262.25278	2.3
280.26285	12.8
298.27396	12.8
316.28458	100.0
317.28809	3.5
340.28448	2.1
358.29507	5.6
442.31686	2.3
460.32693	5.7
478.33713	59.2
479.34030	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	478.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
54.66225	1.4
55.05268	1.9
55.05511	25.5
57.07077	10.1
67.05499	8.8
69.07070	25.3
71.04958	1.6
71.08624	5.7
71.09819	2.2
79.05475	8.6
80.01580	1.8
81.07053	26.8
83.08620	39.7
85.06548	9.8
85.10130	2.0
91.05482	10.4
92.99527	1.6
93.07046	22.4
95.05015	1.6
95.08610	17.2
97.10168	26.5
105.07034	19.6
107.08600	20.4
109.06512	1.7
109.10158	13.7
110.43134	1.8
117.07032	4.8
118.72160	1.7
119.08593	14.9
121.10165	11.3
123.11726	3.9
124.47485	1.7
129.06999	2.0
131.08556	5.6
133.10132	21.3
135.11687	9.9
137.09656	2.0
137.13220	2.9
139.14844	2.5
143.08572	3.4
145.10092	10.9
147.11671	16.3
149.13255	7.1
151.11143	5.2
153.59096	1.5
157.10081	2.7
159.11720	10.0
161.13223	13.9
163.11176	4.1
165.09183	2.1
173.13237	3.9
175.14745	2.5
177.12721	2.5
179.14360	3.2
185.13322	2.2
187.14827	2.6
197.13223	2.4
229.19487	2.5
257.19162	2.1
287.20026	2.2
305.21237	2.1
397.34372	2.0
407.33023	4.2
415.36105	1.7
425.34076	25.7
443.35199	100.0
444.35342	3.7
461.36093	6.6
478.33633	2.6
479.34802	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	479.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53594	2.4
71.44536	2.6
71.44983	3.0
94.93020	11.0
112.89559	4.5
114.89365	7.2
136.93121	5.5
136.94023	76.2
148.94014	19.8
152.85901	2.7
154.94238	16.5
166.95062	35.5
172.95232	7.2
196.95084	42.0
202.89075	6.0
214.96280	24.2
226.96274	15.9
238.97211	4.4
256.97894	33.2
266.67383	3.4
298.98434	10.5
316.99387	8.3
329.02176	3.8
333.68054	3.4
381.07913	100.0
381.12573	6.7
382.07971	4.1
419.03470	76.8
458.96930	3.0
479.04620	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	479.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12411	2.1
57.20781	2.3
67.51147	2.1
69.63984	8.8
94.93017	6.3
96.78932	2.3
111.49451	2.4
136.94017	75.1
148.94028	18.4
166.95074	28.1
178.95030	3.0
187.59935	2.1
196.96080	8.4
202.89070	5.8
214.96237	2.8
256.98206	18.4
316.99573	2.9
381.07928	100.0
382.08032	3.0
412.36838	2.5
419.03500	72.6
420.03735	3.4
479.04749	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	Isorhamnetin 4'-glucoside
Peak:m/z	Relative Intensity
57.03440	3.0
60.39660	0.5
61.02932	6.4
63.11166	0.4
67.82813	0.4
69.03423	1.9
69.54233	1.3
71.04996	16.9
73.02903	1.6
75.04470	0.6
76.57461	0.4
81.03434	0.8
81.07048	0.5
84.23981	0.4
85.02909	22.7
91.03970	3.4
92.02623	0.7
93.03416	0.6
93.07039	0.5
97.00966	0.5
97.02901	3.1
98.23438	0.9
99.04475	0.6
102.40644	0.5
109.02870	0.9
111.04455	0.6
115.03994	0.5
117.54203	0.5
121.02911	0.7
123.04398	0.4
124.03954	1.7
127.03895	1.0
129.05478	4.0
137.02350	1.5
137.06012	4.0
138.06288	0.8
139.03889	0.9
145.04990	0.8
147.04405	1.1
147.06523	0.5
151.03912	1.3
153.01823	8.0
153.02925	0.8
165.01817	1.1
179.07086	0.4
181.05005	0.8
193.12225	0.6
211.13310	1.1
217.04977	1.1
218.05786	0.6
219.02902	3.1
228.04103	1.3
229.04971	2.4
233.04550	0.9
243.03011	0.6
244.03659	1.0
245.04460	1.6
246.05240	1.4
252.32423	0.5
257.04486	2.5
260.03143	0.5
261.03897	0.7
268.08154	1.4
269.08423	0.9
273.03964	1.9
274.02054	0.5
274.04749	3.1
285.03967	3.5
288.49463	0.5
289.03467	1.6
290.04276	1.4
301.03470	1.7
302.04236	10.2
317.06561	100.0
318.03693	19.1
318.06985	2.7
319.04181	0.6
333.06049	58.0
334.06458	1.9
375.07422	0.7
399.07367	0.8
479.19443	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	479.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
52.03142	0.2
52.64932	0.2
53.03941	0.4
55.01860	0.8
55.05487	0.2
57.03429	0.5
65.03941	1.8
66.09760	0.2
67.05505	1.7
69.03438	0.2
71.01331	0.2
77.03924	0.4
79.05502	0.4
80.02632	0.3
85.02907	2.9
87.28323	0.2
91.05495	0.4
91.26731	0.2
93.03420	0.3
93.07046	0.4
95.01320	0.2
95.04970	1.6
95.08584	0.3
98.22621	0.4
103.03908	0.3
103.05427	0.2
105.04507	0.6
107.08607	0.3
108.02094	2.9
109.02873	0.3
111.04440	0.8
115.05478	0.2
121.02898	0.3
121.03946	0.4
121.06522	0.2
123.04408	0.4
125.06017	0.5
127.03980	0.2
131.04909	0.3
133.02859	0.7
135.04340	0.2
136.01566	0.4
137.05954	0.3
138.03171	0.6
139.07510	0.2
141.05449	2.1
147.04390	0.4
149.02371	0.2
149.06001	0.2
149.09549	0.2
150.03127	0.7
151.03908	100.0
151.05000	9.9
151.07527	1.5
152.04211	1.9
152.05162	0.2
153.05412	0.4
159.04433	0.7
161.05959	0.4
162.03154	0.3
163.03940	0.2
163.07458	0.2
165.05693	0.2
166.02638	0.4
167.03397	0.2
167.07011	0.2
169.04977	0.6
171.86577	0.2
175.03856	0.3
176.04630	0.3
177.01817	1.8
177.05505	0.4
177.09102	0.4
179.03375	0.6
181.04947	5.8
187.03914	0.7
189.35571	0.2
191.03427	0.8
191.07108	0.2
191.10637	0.6
193.05011	0.5
194.02138	0.7
195.02893	0.6
197.04488	0.8
199.03891	0.5
204.04234	0.7
205.04897	1.1
206.02107	0.2
207.02975	0.2
209.04443	6.3
211.05994	0.7
213.12776	0.3
215.03354	0.4
217.01474	0.3
219.06554	0.6
221.04417	1.7
223.05962	0.2
229.04967	0.4
231.02818	0.2
232.03754	0.4
233.04440	1.2
242.48901	0.2
247.05965	1.8
251.05531	1.0
253.07014	1.0
257.04453	0.7
260.03204	0.7
263.05444	0.9
275.05508	4.0
289.05273	0.4
293.06567	2.2
311.07611	0.7
317.06631	0.3
317.10257	0.3
344.67633	0.2
357.13272	0.2
361.85242	0.2
435.16052	0.2
443.24380	0.3
479.14639	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.76371	0.6
57.03359	2.8
61.75238	0.5
63.01443	0.6
63.93838	0.5
69.03339	2.5
70.51129	1.2
71.04900	12.4
72.82900	0.7
73.02848	0.9
80.84177	0.5
81.03345	0.7
81.06996	1.0
82.61174	0.6
83.04937	0.6
83.17007	0.5
85.02809	18.5
85.03361	1.3
87.04391	1.2
93.06957	0.7
95.04859	0.7
97.02872	3.0
105.06954	0.7
109.02827	1.0
111.04380	0.8
121.02730	0.7
127.03854	1.1
129.05371	2.6
131.08498	0.9
146.85181	0.7
151.03824	2.8
153.01823	6.3
163.03954	0.6
163.07346	0.8
165.01784	0.8
177.05351	0.9
177.09093	1.1
182.50304	0.6
189.05493	0.7
197.56084	0.7
203.03391	0.6
217.04941	1.5
219.02808	1.1
228.04178	0.9
229.04872	2.2
244.03564	1.0
245.04337	1.9
246.05165	0.7
257.04559	1.5
261.03906	1.0
269.13837	1.1
273.03912	2.5
274.04715	16.7
275.05090	0.8
277.06900	0.8
285.03888	2.5
301.03415	3.7
301.10495	0.7
302.04205	56.0
303.04584	1.4
316.12833	1.7
317.06546	100.0
318.03656	5.0
318.06940	3.5
333.06018	45.6
334.06409	2.1
381.40717	0.7
405.37381	0.7
453.94809	0.7
479.12003	26.8
479.18997	5.3
480.12375	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.7
67.05501	0.8
69.03426	2.2
69.57427	0.6
73.88084	0.6
79.05483	1.9
81.03436	0.6
81.07055	3.0
83.04997	1.2
83.08603	2.3
85.02891	2.3
87.04467	0.9
91.05470	1.1
93.07046	3.1
95.04916	0.7
95.08589	1.5
97.02908	2.1
98.06058	1.5
100.11259	4.0
105.07024	2.3
107.04894	0.9
107.08599	1.8
109.06510	1.6
115.03934	0.7
121.06512	2.4
123.08073	1.2
126.09138	1.1
127.03901	0.9
131.08577	1.2
133.04951	1.7
133.10075	0.9
135.08032	0.9
137.05963	2.2
137.13264	1.2
145.04909	1.0
147.11618	1.3
151.03874	1.0
151.07568	2.4
153.05533	0.8
167.07047	1.5
168.13785	3.5
171.11650	0.9
177.09117	1.2
185.16638	0.8
195.02864	1.2
210.14891	1.5
217.12225	1.9
218.12619	1.9
231.09912	16.4
235.13312	3.3
236.13628	4.7
253.14333	1.1
254.14705	1.4
271.04248	4.2
295.20145	2.0
340.14825	1.4
387.31995	0.8
393.15143	8.5
428.12238	0.8
435.16202	34.4
436.16702	1.1
443.24576	0.9
443.98672	0.9
461.25034	1.4
478.34073	0.9
479.15216	100.0
479.35379	5.0
480.15671	3.5
480.28250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1527
Annotation	Pilosidine
Peak:m/z	Relative Intensity
52.28708	0.6
61.09679	0.7
67.05503	0.8
69.03419	1.5
69.07053	1.1
69.50816	2.0
69.51189	1.3
75.69073	0.8
79.05473	1.1
81.07066	1.0
83.80029	0.7
85.02898	1.3
86.03251	1.0
91.05483	3.0
92.63152	0.6
93.07021	1.9
95.08592	1.8
97.02870	0.9
100.11250	1.5
100.68067	0.6
107.08574	1.5
119.08629	1.0
121.10158	2.4
137.05972	2.1
149.09583	1.4
151.03889	2.6
151.07559	1.6
168.22823	0.7
177.16354	1.1
182.15501	0.9
210.14883	0.9
231.09950	4.3
238.09837	0.7
245.06384	1.7
245.20027	0.7
271.04416	0.8
282.14438	0.8
289.05347	1.8
393.15195	7.1
435.16174	23.2
436.16403	0.8
479.15198	100.0
480.15448	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	479.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06348	0.6
69.03415	1.2
69.07061	1.0
69.16634	3.4
76.40020	0.6
79.05493	0.7
81.07067	1.2
85.02909	1.1
91.05488	1.1
93.07058	1.9
97.02878	1.7
105.07051	0.8
107.08598	1.5
115.03938	1.0
121.10122	1.0
123.11674	0.9
129.05475	0.8
133.04977	1.8
133.10071	0.7
137.05983	1.1
151.07544	1.7
169.04729	1.3
191.10805	0.8
199.05885	0.7
213.12923	0.6
227.05263	1.1
231.13606	6.5
245.06415	1.7
259.13083	0.7
271.04373	0.7
283.27475	0.6
289.05292	2.6
290.31537	0.7
368.42877	0.8
393.18875	8.6
412.39880	0.6
435.19885	19.8
440.15671	0.6
479.18890	100.0
480.19141	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	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56977	0.5
63.19774	0.5
69.96783	1.4
76.54360	0.5
77.05966	0.6
82.60777	0.5
130.12621	0.5
151.07504	1.0
158.65639	0.6
169.04807	0.7
180.96049	0.5
188.90695	0.5
231.13597	3.3
245.06267	0.6
259.13101	1.2
276.89725	0.6
375.17990	0.9
393.18808	15.9
417.18961	0.8
435.19922	32.3
436.20288	1.6
479.18890	100.0
480.19128	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	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39671	0.4
55.05508	0.5
67.05498	0.5
70.60945	0.7
79.05499	0.6
81.07058	0.7
83.08604	0.4
84.02277	0.4
91.05480	0.9
93.07045	0.7
95.08626	0.4
100.11269	0.6
105.07052	0.7
107.80462	0.4
121.10081	0.4
122.18526	0.4
133.10124	0.5
151.07503	1.1
173.13220	0.6
177.09082	0.5
182.15367	0.9
191.10760	0.6
210.14911	1.0
227.05275	0.8
231.13605	2.7
245.06374	0.8
259.13034	1.1
366.06516	0.4
375.17941	0.9
393.18805	14.3
403.65561	0.5
417.18582	0.6
427.76913	0.4
435.19901	30.2
436.20187	1.6
436.31711	1.5
448.95624	0.4
479.18887	100.0
480.19302	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.6
69.12855	1.9
77.19601	0.2
79.05510	0.3
85.02916	0.6
91.05484	0.4
95.04960	0.4
98.23438	0.5
99.26616	0.3
107.08556	0.3
137.09674	0.3
141.05481	0.7
151.03906	7.7
151.07549	0.4
172.97586	0.3
179.03439	0.3
185.04234	0.3
191.03500	0.5
195.02940	0.3
205.04987	0.4
207.28703	0.3
209.04468	0.8
213.12550	0.3
221.04585	0.3
227.05334	0.5
227.84412	0.3
231.09990	1.1
231.13499	2.9
231.15276	0.3
233.04482	0.5
244.14734	0.3
245.06451	1.0
251.05588	0.7
263.05435	0.7
265.12851	0.3
265.15256	1.7
271.04260	2.0
275.05569	1.0
289.05283	3.3
293.06534	0.4
302.03915	0.5
311.59109	0.3
317.06583	1.6
319.49426	0.3
335.23260	0.3
393.18869	8.4
417.18869	0.8
435.20050	20.8
436.20480	0.8
479.18979	100.0
480.19516	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	479.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82038	1.8
69.03415	7.2
81.03387	5.4
85.02899	15.6
87.00826	4.9
93.07049	2.6
97.02892	4.7
99.04423	2.1
102.81905	2.2
105.01845	2.8
109.02868	6.1
123.22688	2.0
124.83463	2.1
127.03905	7.0
128.06242	3.4
129.01767	1.7
129.06998	4.4
131.08537	3.0
137.06013	2.0
143.08498	15.1
145.04939	2.3
145.10121	9.7
151.07539	8.0
155.08586	4.0
156.09329	15.4
157.10106	3.2
159.11716	2.6
165.07008	3.2
171.11676	34.5
173.09650	9.5
175.07550	2.5
185.13235	2.6
191.10655	2.7
195.11671	6.7
213.12733	7.7
231.13788	100.0
232.14026	4.1
352.92993	2.0
435.16165	14.9
443.23941	2.3
479.15143	48.8
479.21463	2.8
480.15536	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	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56849	0.5
69.03423	1.0
69.07061	1.1
69.71764	1.9
71.04993	0.9
79.05492	0.7
81.07039	1.4
85.02905	2.1
91.05479	0.8
93.07045	1.5
95.08618	1.0
97.02842	0.6
98.23447	0.5
105.07059	0.7
106.06546	1.5
107.04942	0.6
107.08591	0.8
107.48286	0.5
109.06508	0.8
119.08522	0.7
120.08111	1.9
121.06528	1.1
121.10170	0.7
124.02039	0.5
131.08537	0.6
135.08105	0.6
135.11720	0.8
147.11676	1.1
161.13242	0.6
185.04240	0.6
209.04831	0.7
217.12341	0.9
218.12643	0.9
224.75075	0.6
231.13589	1.5
235.13301	1.8
236.13696	2.2
245.06302	2.7
254.14667	0.9
269.12180	0.7
271.04285	2.0
287.03845	0.8
289.05276	5.3
333.06024	1.2
393.18839	5.3
417.18842	1.5
435.15042	0.4
435.19916	22.9
479.18869	100.0
479.30054	3.4
480.19305	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	479.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01877	1.7
63.58885	1.1
69.03429	7.1
71.43680	0.9
73.02930	1.3
81.03416	5.0
85.02907	12.4
87.00836	4.4
93.07094	1.2
97.02877	6.2
99.04456	2.7
100.11256	2.1
105.01880	2.4
105.07051	2.4
109.00150	1.2
109.02882	4.3
117.99432	1.0
119.08584	1.1
127.03899	8.1
128.06227	1.8
129.06987	7.1
131.08545	2.6
133.10191	1.3
134.65472	1.0
137.06029	1.2
141.06940	1.1
142.07794	3.4
143.08542	13.0
145.04935	3.0
145.10126	11.3
147.08066	2.4
151.07565	4.2
155.08568	3.1
156.09331	17.5
157.06487	2.4
157.10147	4.4
158.07169	1.5
159.02931	3.1
159.11702	3.7
165.06967	2.4
169.10036	1.4
170.10893	2.4
171.11681	35.0
173.09625	10.9
175.07527	2.5
180.09396	2.6
185.13277	2.8
187.11253	1.6
189.09100	1.4
191.10674	1.8
193.14847	1.2
195.11705	7.6
213.12729	8.7
231.05064	1.5
231.13800	100.0
232.14157	3.1
435.16095	2.1
443.24042	1.6
479.14749	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	479.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29668	0.9
69.30074	1.8
74.46085	0.5
124.93771	66.0
137.06004	1.2
142.94815	36.8
198.24091	0.5
198.97444	4.9
351.21555	1.4
429.64911	0.6
461.20374	11.0
479.21451	100.0
480.21762	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	479.2409
Annotation	1-O-Methylisobractatin
Peak:m/z	Relative Intensity
54.97629	0.3
60.54845	0.4
67.05479	0.4
70.06600	0.4
70.71069	0.6
80.01471	0.3
81.07058	0.5
85.50396	0.4
91.05463	0.5
130.75993	0.4
163.07574	0.5
175.03723	0.5
193.04985	0.6
217.70490	0.4
337.27817	0.4
463.43356	0.4
474.98697	0.4
479.24030	100.0
480.24387	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	479.2771
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
59.42381	0.4
63.97948	0.4
69.00130	0.5
69.17155	0.5
69.20379	1.0
69.20771	2.1
154.06242	1.6
169.08670	0.6
216.18263	0.6
272.32016	0.6
445.40137	0.6
461.29013	1.4
479.27682	100.0
480.28104	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	479.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.26555	0.4
55.05513	1.9
55.34198	0.3
56.24031	0.3
56.97882	0.4
60.44197	0.3
65.03935	0.8
66.93967	0.3
67.05501	6.1
68.99775	0.5
69.03430	0.4
69.07059	1.5
69.21037	1.7
77.03919	0.4
79.05494	5.1
81.07056	6.1
83.08629	0.5
91.05471	3.6
93.07051	3.1
95.04967	1.7
95.08611	2.9
97.06529	1.4
98.23514	0.6
103.05464	0.9
104.10703	0.6
105.04491	0.6
105.07028	2.3
107.04939	3.4
107.08611	1.1
109.06521	0.9
109.10172	0.5
110.03664	0.4
111.04453	0.5
115.05470	1.7
117.07010	1.4
119.08607	1.0
121.06493	3.5
121.10178	0.8
123.04425	3.5
124.93776	0.8
125.05992	26.8
126.06329	0.5
128.06241	1.1
129.06992	1.3
131.04945	0.7
131.08502	1.7
132.82442	0.3
133.06514	1.5
133.10130	0.6
135.04443	0.5
135.08080	1.7
137.05980	24.2
139.03915	1.5
139.07538	1.0
141.05447	0.6
141.07008	1.5
143.08563	0.9
144.05727	1.0
145.06497	1.4
145.10095	0.5
147.04420	1.7
147.08026	1.9
149.06020	0.8
149.09656	0.5
151.07544	4.2
153.05470	32.1
154.05876	0.5
155.08536	2.5
156.40123	0.3
157.06526	0.9
157.10141	1.2
158.07259	1.2
159.04378	0.4
159.08049	1.8
160.05190	2.6
161.05968	7.3
161.09636	0.7
162.06783	4.6
163.07547	13.0
165.06996	0.9
167.07050	1.1
167.08517	0.6
168.05740	0.4
169.06522	0.6
169.10168	1.5
170.07240	0.8
171.08058	1.6
171.11652	0.4
172.05219	1.0
172.08852	0.4
173.05995	0.6
173.09637	0.9
174.06749	4.3
175.07544	23.4
175.11182	1.1
176.08266	1.3
177.09116	4.3
179.07057	2.4
179.08502	0.5
180.52516	0.4
181.04967	0.8
181.06401	0.6
183.08064	1.5
184.07433	0.5
184.08856	2.4
185.09631	1.0
186.06778	1.0
187.07547	20.6
187.11171	1.3
188.08284	2.8
189.09117	5.4
190.09492	0.5
191.10690	0.4
193.08661	2.9
196.07307	1.6
197.09662	1.4
198.10477	1.1
199.07593	1.4
199.11182	2.9
200.08308	5.4
201.09106	10.6
201.12769	1.2
202.09875	1.6
203.10672	25.5
204.11111	0.6
207.10016	0.5
211.09598	0.9
211.11348	0.8
213.09065	4.1
214.09879	6.0
215.10670	30.7
216.11234	1.2
217.12238	21.3
227.10683	7.9
228.11487	1.2
229.12239	20.3
230.12575	0.6
231.13818	1.2
241.12216	1.9
243.13809	16.4
255.13911	0.6
257.15286	2.2
271.17081	0.4
311.19824	0.4
313.77838	0.3
339.28973	1.0
341.21176	0.5
355.22522	0.5
356.05310	0.4
397.20123	0.5
447.25360	3.2
461.26871	3.5
479.27954	100.0
480.28375	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	479.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.05508	9.4
58.40666	2.1
61.20580	2.2
67.05502	28.6
69.07067	4.9
79.05497	23.3
81.07051	22.2
91.05467	11.2
93.07034	19.5
95.04982	6.1
95.08609	19.8
101.41662	2.0
105.07038	7.0
107.04913	2.7
107.08598	11.0
109.10164	5.2
111.04456	3.6
115.05470	2.6
117.06973	3.1
121.10149	13.8
124.93781	41.0
125.06031	5.2
133.10207	2.4
135.11716	5.5
137.05988	7.0
139.03824	4.0
142.94801	19.1
147.13232	2.0
153.05482	6.6
161.05925	2.6
163.07545	5.1
175.07622	3.1
176.08426	2.4
177.09061	4.7
179.46332	2.7
181.06490	3.7
184.05107	3.8
184.31906	1.9
185.06015	2.9
187.07565	2.3
189.09213	2.4
197.06038	3.4
198.06807	4.6
199.07455	3.7
201.09079	3.0
203.10574	2.1
211.07555	7.8
212.04700	3.2
212.08296	4.7
213.05557	5.3
214.06340	5.1
215.06946	3.1
223.07607	3.8
225.05508	3.8
226.06285	6.8
227.07036	7.8
227.10658	2.6
228.07813	5.7
229.05054	4.8
229.08553	10.0
230.05733	3.1
235.07556	3.9
239.07079	10.3
240.07791	6.4
241.04858	3.5
241.08652	12.8
242.05711	8.1
243.06532	16.9
243.10173	5.2
244.07288	8.5
249.09142	3.0
251.06946	3.8
251.10799	3.0
252.07802	3.3
253.08577	3.4
254.09409	5.1
255.06500	5.0
255.10336	3.7
256.07275	11.1
257.08112	24.0
258.05261	3.2
258.08844	16.9
259.05875	5.1
259.09525	3.6
263.10657	5.2
265.08649	6.2
265.12186	2.4
266.09293	4.4
267.06476	4.1
267.10342	3.4
268.07071	2.7
269.08054	11.6
270.08865	4.1
271.09567	19.2
272.06699	4.2
273.07526	21.7
274.08331	7.5
275.09076	4.4
279.10138	3.4
280.10989	2.3
281.08087	3.6
282.08829	4.9
283.09589	12.0
284.10385	7.2
287.09186	15.2
289.10706	6.6
291.10306	4.0
295.09714	3.4
296.10443	4.1
297.11234	6.5
309.11267	6.1
311.12866	4.9
315.12302	5.1
323.12668	5.1
324.13559	6.4
329.13602	2.2
337.14328	6.9
351.15851	4.6
355.15359	4.3
365.17307	6.3
379.19165	4.0
383.18771	3.4
397.20065	12.7
430.25174	3.1
446.24869	3.2
448.26205	12.9
461.20398	7.8
461.26822	23.6
464.25278	4.1
479.21301	41.9
479.27805	100.0
480.22009	2.9
480.28253	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	479.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
63.37217	1.3
65.03943	3.1
67.05504	9.1
68.99757	1.6
69.07084	2.2
71.78025	1.4
77.03936	1.4
79.05488	10.4
81.07038	8.2
91.05481	12.5
93.07037	6.3
95.04989	4.7
95.08636	8.5
97.06552	2.4
103.05475	5.7
105.03275	1.4
105.04512	1.4
105.07043	7.9
107.04974	10.9
107.08607	2.7
109.06523	2.6
109.10223	1.3
110.03651	1.8
111.04478	1.7
115.05465	7.3
117.07019	6.6
119.08559	3.2
121.06503	5.3
121.10169	2.9
123.04462	6.5
125.05997	44.5
128.06212	2.1
129.07045	5.1
131.04935	2.3
131.08582	4.6
132.05730	2.6
133.06493	5.3
133.10139	3.3
135.08064	8.9
137.05981	33.9
139.03937	1.9
141.07019	3.4
144.05710	5.5
145.06485	3.4
145.10124	1.4
146.07298	1.5
147.04431	2.5
147.08031	4.1
149.06049	2.4
149.09642	3.3
151.07545	11.7
153.05478	48.9
154.06113	1.5
155.08583	1.8
157.06528	2.0
158.07265	2.7
159.08113	2.5
160.05232	9.1
161.05980	13.0
162.06752	3.8
163.07547	100.0
164.08070	1.4
167.07083	2.0
171.08134	1.3
172.05228	2.2
173.06009	2.9
174.06729	9.2
175.07552	45.6
177.09114	35.6
179.07086	4.0
181.06477	1.4
183.08134	1.9
184.08853	1.9
187.07547	53.6
188.08272	3.0
189.09102	31.9
191.10706	5.1
193.08585	6.3
195.08015	1.8
199.07584	2.5
200.08350	3.1
201.09120	24.0
202.09860	1.6
203.10672	14.0
213.09111	6.3
214.09895	4.0
215.10674	23.1
217.12302	4.1
226.12460	1.4
227.10703	4.6
228.11389	3.5
229.12248	12.0
231.13690	1.9
241.12201	2.7
243.13914	5.1
325.21725	1.6
371.47217	1.2
383.72913	1.3
396.89999	1.6
447.25272	2.2
461.26889	2.8
479.27951	58.3
480.28589	2.8
482.24561	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52381	1.6
53.28644	1.6
55.05511	8.0
65.21542	1.7
67.05503	5.2
69.07069	6.4
69.40576	4.4
74.58553	1.8
79.05490	2.5
81.07051	17.9
83.08626	2.0
91.18547	1.6
93.07040	2.8
95.08607	14.8
99.00836	4.3
105.07046	1.9
109.10155	4.9
109.91970	1.7
113.02322	1.5
123.11760	3.1
135.08081	1.8
160.26807	1.7
163.07573	2.0
175.07579	2.2
177.05492	5.8
181.05008	7.7
183.06529	3.4
184.50894	2.0
189.09102	9.8
191.55867	1.7
195.06552	22.1
209.08047	10.3
223.09697	11.5
235.09673	1.9
237.11255	13.1
249.11261	11.8
251.12825	3.0
263.12662	2.1
277.26370	1.9
325.80960	1.8
350.96951	1.9
354.81876	2.2
461.32623	100.0
462.33047	3.4
479.33694	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	479.3372
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
55.05511	9.4
57.07075	2.1
60.94232	1.3
67.05497	9.8
69.07075	15.8
69.77486	2.9
69.77840	3.0
70.40709	1.2
79.05503	2.6
81.07052	22.8
83.08623	3.8
91.05470	2.0
93.07062	2.8
95.08601	19.3
97.10194	3.6
98.23448	1.8
99.00809	7.5
99.04480	3.7
105.07030	2.5
109.10168	7.2
113.02379	1.8
119.08559	2.2
123.08111	1.3
123.11702	3.4
137.06033	1.6
149.05949	2.2
149.09592	1.6
151.07574	1.7
153.05534	1.8
161.06009	1.8
163.07568	2.9
175.07555	2.5
177.05478	6.9
181.04968	11.6
183.06593	4.0
189.09079	11.2
190.52332	1.4
191.07045	2.6
195.06535	27.8
203.10750	1.8
205.08571	1.3
207.06490	1.6
209.08054	11.8
223.09637	16.6
235.09677	3.5
237.11179	18.7
249.11191	11.7
251.12819	5.9
263.12738	3.5
265.14441	3.3
267.74023	1.4
277.14362	1.3
291.16074	2.0
305.17319	1.5
307.19083	4.0
319.19110	3.9
333.21152	1.4
443.31824	4.0
461.32602	100.0
462.32968	4.6
479.33768	44.5
480.33923	3.2
487.40726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	0.9
57.03439	13.0
57.32651	0.6
60.59850	0.7
61.02922	3.5
69.03427	10.5
70.21830	1.7
71.01353	1.5
73.02919	24.8
79.01855	1.0
79.05482	1.2
81.03405	2.1
85.02910	18.1
86.80549	0.7
87.04462	1.9
91.05485	1.5
95.04963	1.0
97.02895	18.6
99.04455	0.9
107.04949	2.2
109.02891	3.9
110.03662	2.7
111.04373	0.9
115.03935	17.6
121.06504	2.3
125.06023	1.4
127.03921	4.8
131.04942	0.8
133.04968	5.0
133.10135	1.0
137.02345	67.0
137.05977	1.7
138.02621	1.3
143.03392	0.8
144.06592	0.6
145.04958	6.1
147.04417	0.8
147.08037	0.7
149.06012	0.8
150.07616	1.1
151.03889	1.3
151.11168	0.8
153.01831	13.5
153.05414	0.8
159.04376	0.8
163.06044	1.2
167.07091	1.6
169.04965	100.0
170.05295	1.9
177.05464	0.9
179.03290	0.7
181.04895	0.8
193.04999	1.2
195.02873	1.3
197.04439	0.8
205.04959	1.3
206.48807	0.7
219.10234	0.8
223.06024	1.6
233.04585	1.4
241.06976	1.5
241.98817	0.7
246.21994	0.7
247.05960	1.4
251.05516	1.2
259.08206	1.2
263.05530	4.2
275.05399	1.5
277.08777	0.7
293.06436	0.9
295.10352	0.9
302.04224	1.5
303.04642	3.2
311.07507	1.1
317.06635	5.0
318.06888	12.0
468.06168	0.8
480.13812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01888	1.3
55.05505	1.9
57.03441	9.3
59.05014	1.0
61.02914	1.2
64.10909	1.0
69.03423	2.1
69.80728	2.0
71.04994	73.5
73.02916	3.3
75.04478	5.1
81.03409	1.3
83.04981	11.6
85.02905	100.0
87.04472	1.8
90.68391	0.9
93.03472	0.9
97.02892	3.8
99.04457	1.5
103.03941	1.1
109.02856	1.1
111.04447	10.9
127.03920	3.9
129.05475	49.7
137.02350	3.5
139.03870	1.6
144.06694	1.0
145.04958	3.0
146.08095	1.2
147.06526	22.2
153.01819	1.0
155.03403	8.8
162.07617	1.3
164.09238	3.1
167.03433	4.5
192.24463	0.9
192.75044	1.0
205.05165	1.0
255.08611	2.2
265.07111	2.4
309.11713	1.3
397.27985	1.0
480.16907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03154	0.3
53.03946	0.6
55.01863	0.3
55.88263	0.2
56.51776	0.2
57.03434	1.2
59.05003	0.4
61.02929	1.6
64.40346	0.3
65.03952	2.1
69.03429	3.4
70.94984	0.3
71.04984	0.5
73.02923	1.0
77.03961	0.3
79.05504	0.3
81.03413	1.2
85.02907	14.1
87.04466	1.0
91.05481	26.9
92.05804	0.3
93.07043	8.0
93.37924	0.2
93.63787	0.3
95.04967	0.8
97.02895	4.5
99.04455	0.8
101.02365	0.3
105.07034	2.1
106.04187	0.7
107.04959	0.8
107.08564	0.6
109.02876	1.0
109.06522	7.4
109.10153	0.4
115.03954	1.7
119.06063	4.8
121.06506	100.0
122.06853	1.3
127.03915	3.4
131.08577	0.3
133.04967	1.3
133.10135	4.8
145.04967	6.1
151.11192	1.3
153.01825	0.4
163.06012	2.5
169.12259	0.5
283.15298	0.3
286.60858	0.2
391.77393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03934	0.7
51.54482	0.7
55.01867	2.7
57.03429	3.0
60.85970	0.8
61.02925	5.3
63.35014	0.8
65.03925	1.0
69.03421	9.8
69.44427	2.3
69.44827	1.5
71.04990	1.4
73.02905	5.2
74.00574	0.8
76.70186	0.8
81.03407	4.3
85.02905	58.5
86.06049	1.6
87.04459	1.1
91.03963	3.3
91.05488	2.4
93.07053	3.3
93.22348	0.8
95.04957	1.8
97.02898	13.3
99.04443	2.2
103.05496	3.9
105.07974	0.8
109.02859	4.2
115.03896	0.9
121.06504	100.0
123.04425	1.9
127.03916	14.6
127.10609	0.8
133.02881	0.9
133.06517	1.9
135.07985	1.3
137.05978	1.0
138.62189	0.9
139.03880	1.8
139.07539	18.8
140.04683	7.3
145.04962	27.9
151.07530	1.4
153.01837	3.1
153.05501	0.9
155.07011	12.1
163.06027	12.7
163.07353	1.7
165.05574	0.9
167.03423	3.3
173.08104	0.9
176.49713	0.8
179.06972	0.9
181.04916	10.4
181.06403	1.0
186.72110	0.9
187.07587	2.1
192.08627	1.5
195.10143	1.4
205.08549	2.6
209.08127	3.7
227.09146	9.7
227.13873	0.9
229.08534	0.9
259.39474	0.8
301.12793	18.5
325.11261	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71559	0.6
53.03941	1.8
55.01866	2.5
57.03440	1.2
61.02921	1.5
67.09422	0.6
69.03436	6.6
69.31030	1.4
69.31429	2.3
71.04991	1.1
73.02916	1.8
77.41831	0.7
81.03429	6.3
85.02901	21.2
87.00830	5.7
92.74829	0.6
97.02888	5.3
98.97581	0.9
99.04444	3.3
105.01862	6.0
108.04463	1.1
109.02882	6.0
117.01864	0.8
127.03922	12.6
129.01750	0.9
130.04836	0.6
141.06981	1.4
142.07814	0.6
143.08548	0.6
145.04974	5.2
147.02884	0.7
154.07779	0.7
155.08582	6.8
155.72679	0.6
156.09346	16.0
157.10016	0.8
159.02875	4.4
167.08554	3.3
169.10127	24.4
171.02859	0.7
181.10199	0.8
182.10928	9.8
189.04031	0.9
197.13258	100.0
198.13608	3.7
209.13158	1.1
211.82845	0.6
219.01826	0.9
221.13190	1.7
225.12743	2.2
231.04922	3.3
237.02821	1.6
239.14255	2.1
248.07613	1.1
249.21939	0.7
263.13910	0.6
266.08710	0.7
281.15149	0.7
305.15375	1.1
323.16101	1.4
367.15289	0.8
382.61478	0.6
389.29904	0.7
413.14899	1.6
427.17288	1.2
480.22214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05520	2.9
57.03437	3.1
61.02914	1.7
67.05505	4.3
67.39122	0.4
69.03420	1.0
69.07075	2.0
69.25769	2.2
71.04974	1.8
73.02921	1.1
77.97713	0.4
79.05107	0.6
79.05495	6.6
81.03419	3.8
81.07056	5.4
82.03772	0.6
83.04969	1.2
83.08620	4.0
85.02917	3.1
85.06526	0.8
87.04475	0.4
87.24093	0.4
91.03954	0.6
91.05466	1.7
93.07043	11.1
95.04968	3.1
95.08604	13.5
97.02880	2.8
97.06531	1.6
97.10121	0.5
99.04443	2.4
105.07046	2.4
107.04960	3.3
107.07925	0.7
107.08594	9.1
109.06504	0.9
109.10139	1.1
111.04420	0.6
111.08115	0.5
117.07018	2.9
119.08569	3.5
121.06485	2.0
121.10146	5.4
124.37108	0.4
125.05977	1.3
129.05453	0.5
129.07071	0.4
133.10115	1.0
135.04407	2.1
135.08087	0.7
135.10655	1.1
135.11687	21.7
137.05963	0.5
139.03877	0.7
139.07562	1.4
145.10124	11.7
149.09560	0.6
153.01811	1.5
153.12704	0.5
163.11180	31.7
164.11560	0.8
173.09584	0.5
176.11479	0.6
181.12242	6.2
185.04565	0.4
193.12213	2.0
194.08058	1.0
194.12621	1.2
209.04274	0.5
209.11639	0.9
223.13431	0.4
227.12766	47.0
228.13138	1.4
240.35530	0.4
247.16985	0.6
267.15909	0.7
268.16251	1.2
274.17975	0.6
283.15384	100.0
284.15768	3.3
285.16953	0.6
285.83508	0.5
286.17255	1.5
301.16354	1.1
319.04010	0.6
319.16547	0.8
333.06009	1.0
334.06329	2.5
445.20761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61098	2.6
57.03436	23.6
59.05001	4.0
61.02898	2.6
65.20370	2.6
67.05501	3.7
69.03433	87.5
69.07066	46.6
69.22546	15.4
71.04967	4.2
72.94366	2.5
79.05475	3.3
81.03416	6.4
81.07049	19.7
85.02896	54.7
87.00785	3.8
87.04464	55.9
93.07026	4.2
95.04961	4.7
95.08595	7.2
97.02897	91.4
99.04433	3.2
107.08582	5.6
109.10150	8.0
113.05979	3.1
115.03930	97.5
119.08586	5.2
121.10134	4.9
123.11716	56.0
127.03908	11.1
133.04973	100.0
137.05983	9.9
137.13202	3.9
144.06563	2.7
145.04953	11.1
151.11197	48.7
161.13252	6.5
169.12241	10.0
177.09093	3.2
179.14333	3.0
197.15205	2.6
219.13753	4.2
232.10619	3.1
247.13286	9.6
259.07959	4.4
268.08112	3.3
276.12445	3.0
283.15344	9.6
298.85852	2.8
316.31528	3.2
319.22473	2.9
391.94995	2.9
394.18695	3.3
436.20126	7.8
480.19199	42.3
481.19385	5.1
505.53058	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20375	0.4
53.03942	0.4
55.05513	0.5
57.03433	2.6
58.36962	0.5
59.05000	1.2
60.04511	0.4
61.02951	0.4
63.84151	0.4
67.05502	5.0
69.03427	10.8
69.07080	0.4
70.56223	0.4
71.01360	0.5
71.44170	0.5
72.46515	0.4
73.02902	2.3
79.05489	1.0
79.10757	0.4
81.03434	0.9
81.07057	3.8
85.02903	8.5
87.04469	5.9
88.69466	0.4
91.05463	0.9
93.07050	2.0
95.04964	3.6
95.08615	1.0
95.10387	0.4
97.02895	12.6
104.22615	0.5
105.07071	2.0
107.04957	0.5
107.08591	8.5
109.06528	4.1
109.10155	100.0
110.10497	1.7
115.03931	10.8
117.52377	0.4
121.06470	0.6
121.10147	0.7
123.08085	1.0
123.11707	6.8
125.09608	0.4
127.03912	0.9
133.04953	5.4
133.10136	4.5
137.05951	0.6
139.03896	1.5
143.03342	0.7
145.04919	0.8
150.07582	1.1
151.03867	0.5
151.11177	82.4
152.11482	1.5
153.01840	8.1
153.02997	0.5
159.04445	0.5
161.06087	0.5
165.05452	0.5
169.12234	86.7
170.12550	2.4
194.41873	0.4
195.06644	0.5
209.04454	1.0
223.05933	1.2
259.08136	0.9
265.13980	0.5
293.06458	0.4
301.16180	1.2
331.17499	6.9
332.17548	0.5
361.56345	0.6
365.44058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01857	1.3
55.05510	2.7
57.03436	8.7
59.63341	0.7
61.02934	1.7
67.05502	2.3
69.03426	5.8
69.07075	2.5
71.01325	0.8
71.04993	48.9
72.05337	0.8
73.02924	3.0
75.04498	2.4
79.05489	2.6
81.03420	2.9
81.07056	53.5
83.04986	14.4
85.02904	100.0
86.06050	1.0
87.04469	1.8
93.07044	1.3
94.78965	0.7
95.08611	7.1
97.02905	8.2
99.04469	1.9
101.06036	1.0
109.02901	2.3
111.04450	9.5
115.03951	1.9
123.11710	3.2
124.03961	2.3
127.03904	10.7
129.05478	38.0
131.08636	1.1
133.04956	2.4
137.06024	3.0
137.13255	58.4
138.13527	1.4
145.04967	12.1
147.06512	7.6
151.11195	2.3
162.88385	0.9
163.06013	6.9
164.09229	1.2
173.09613	2.6
192.61914	0.8
215.14369	1.2
233.15424	2.1
237.07607	2.0
237.14838	0.9
255.08652	4.4
268.08112	1.3
273.09686	7.6
291.10828	1.3
309.11777	13.2
317.19293	2.0
319.22818	1.2
479.40598	1.4
480.40851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01874	0.9
55.05514	3.0
57.03150	0.7
57.03433	11.3
57.07077	3.0
59.04998	0.9
60.04498	0.5
61.02929	2.3
63.60945	0.5
67.05508	6.5
69.03419	7.1
69.07061	8.5
69.32982	1.4
69.33399	1.6
70.07425	0.6
71.01347	1.0
71.04990	56.1
73.02914	9.1
75.04480	3.4
77.40694	0.5
79.05488	8.6
81.03432	1.6
81.07053	100.0
82.07385	1.4
83.04980	7.5
83.08619	0.7
85.02901	81.3
85.06545	0.6
86.03259	0.6
86.06077	0.5
87.00810	0.8
87.04472	2.3
91.05466	0.9
91.99236	0.5
93.07039	2.5
95.04969	1.3
95.08603	23.5
97.02882	11.0
97.06509	0.6
98.55817	0.5
99.04459	2.1
103.03947	1.1
105.07040	1.2
107.08575	1.2
109.02873	1.9
109.06493	0.9
109.10168	3.6
110.06051	0.8
111.04438	5.6
111.11728	0.7
115.03941	5.9
119.08545	0.8
121.06430	0.7
121.10127	1.1
123.11706	6.6
127.03907	7.2
129.05470	35.0
133.04930	1.9
133.10068	1.3
135.11662	1.1
137.13248	28.0
145.04947	4.3
146.08124	0.9
147.06522	20.5
149.13203	0.8
151.10056	0.7
151.11172	6.8
155.14166	0.8
161.13191	1.4
163.05992	1.1
164.09181	7.6
165.07521	1.0
165.59093	0.5
179.14223	2.2
197.15311	1.6
199.23087	0.5
241.07074	0.7
255.08446	2.2
269.17365	1.6
273.09592	2.3
283.15323	1.7
309.11804	2.7
480.14902	0.8
480.29288	0.5
481.19855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	13.4
57.17660	3.0
58.91830	3.0
59.91031	3.1
60.77079	3.2
67.05496	9.9
69.03433	40.4
69.07057	12.3
70.41785	3.1
70.56007	6.8
79.05464	3.9
81.07062	35.5
85.02901	43.6
87.04476	30.3
95.08610	100.0
96.08154	7.2
97.02893	42.4
109.10152	11.3
114.09165	32.3
115.03928	58.4
123.02948	3.3
127.03892	5.6
133.04961	69.0
145.04944	15.8
150.07639	11.6
151.07573	4.3
151.14830	54.0
163.05989	6.6
164.03563	3.4
182.15259	4.1
241.07089	3.7
259.08096	5.5
293.10245	3.5
295.10269	9.6
480.36450	7.4
481.23724	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	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.01870	0.5
55.05262	0.8
55.05511	11.1
57.03184	0.6
57.03439	7.3
57.06817	0.5
57.07078	6.2
62.06092	0.4
65.03934	0.4
67.05159	0.6
67.05502	10.2
69.07067	18.5
69.57601	1.5
71.04984	0.7
71.08634	2.8
72.45425	0.4
79.05492	3.7
81.07055	10.5
83.04966	0.8
83.08618	11.8
85.06556	0.5
85.10175	1.5
91.05479	0.8
93.07040	5.6
95.08017	0.8
95.08599	11.0
97.06538	1.7
97.10173	6.6
98.23031	1.3
99.08134	0.5
102.89763	0.3
107.08579	4.5
109.10152	4.5
111.08069	1.2
111.11733	2.0
121.10147	5.4
123.11682	1.3
125.09600	0.8
135.11685	3.8
139.11125	0.5
149.13272	2.1
162.63802	0.4
163.14815	0.7
165.16382	0.4
171.25360	0.4
202.99646	0.4
216.06239	0.4
247.24164	0.7
265.25281	1.7
273.82846	0.4
300.50101	0.4
308.29575	2.4
339.28922	100.0
340.29333	3.9
467.92780	0.4
480.21725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96012	1.5
55.05504	8.3
57.03439	3.5
57.07073	5.6
62.06097	21.1
67.05508	11.8
69.07078	18.4
71.08627	2.3
79.05482	7.0
81.07053	10.9
83.08617	11.3
84.17308	2.1
93.07046	5.8
95.08604	12.1
97.10164	7.3
98.98457	6.5
109.10159	4.7
113.35201	2.0
121.10134	5.8
123.11666	2.0
124.93830	5.2
135.11702	4.0
142.02631	2.4
142.94804	3.0
149.13234	2.4
155.01044	6.7
174.07983	2.0
216.06406	4.0
265.25269	3.1
308.29404	17.2
339.28958	100.0
340.29413	2.2
388.53091	2.0
419.25647	4.3
424.61591	1.9
462.29712	4.3
480.21399	6.4
480.27219	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	480.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72927	4.9
67.05461	6.9
69.07072	8.9
70.47370	7.5
71.45554	9.5
77.60024	6.2
81.07040	5.8
84.60918	5.6
95.08582	6.7
139.07547	27.7
152.04733	12.7
167.07039	100.0
183.06482	17.7
189.09160	6.4
207.10104	20.7
208.78056	5.5
225.07576	17.4
231.27745	6.5
250.06796	5.9
270.80826	6.8
329.24792	12.8
333.27927	6.8
361.27322	94.0
380.56253	6.2
480.35071	12.9
481.36078	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	480.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	47.3
70.09551	70.0
81.07064	70.9
83.08627	49.0
87.04523	39.5
95.08606	44.9
98.22751	51.7
107.73478	33.6
109.56574	35.9
123.77637	37.0
131.08348	35.4
137.05963	38.1
321.45734	38.0
351.58426	40.4
480.34955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
55.05511	6.2
57.03449	2.2
67.05500	19.8
69.07060	7.2
79.05493	14.6
81.07059	17.5
83.08633	4.7
85.41851	2.1
91.05478	22.2
91.22084	1.9
93.07040	17.8
95.04992	4.8
95.08607	13.9
97.10162	2.5
105.07031	20.8
107.08592	9.1
109.06519	2.9
109.10185	5.7
109.10923	2.0
117.07031	14.0
119.08578	19.0
121.06544	2.5
121.10159	5.3
129.07014	5.1
131.08591	20.0
133.10147	7.8
135.11694	4.7
137.09592	2.5
141.06996	3.6
143.08588	8.2
145.10143	10.2
155.08562	4.2
157.10175	5.7
159.11737	3.7
165.09125	3.4
166.09467	4.0
169.10205	3.0
171.11673	5.6
181.10188	2.7
183.11694	2.2
209.13210	2.7
231.92599	2.2
247.82149	2.0
353.24725	4.6
371.25641	6.5
389.26736	9.9
400.57370	2.2
445.29477	100.0
446.29822	4.6
449.21054	2.4
463.30511	22.2
480.27954	22.7
480.35281	28.9
509.12488	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.098
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
51.02368	0.4
53.03960	0.3
55.01868	1.1
55.05510	0.4
57.03433	1.3
61.02639	0.5
61.02933	7.1
61.34077	0.3
63.02368	0.3
67.05499	0.8
68.99797	1.1
69.03423	2.7
69.07069	0.5
71.01361	0.6
71.04984	0.6
71.44350	0.4
73.02914	1.9
79.01852	3.6
79.05483	1.2
81.03429	1.1
81.07037	0.4
85.02905	8.7
87.04470	0.5
91.03959	3.9
91.05479	1.4
93.07042	0.6
94.04179	0.9
95.01299	0.4
97.02899	5.8
97.06564	0.4
98.97611	0.4
99.04461	0.6
99.26189	0.3
101.02394	0.4
103.05438	0.9
105.07054	0.6
107.01334	1.0
107.04955	1.1
109.02879	2.0
111.00801	2.4
111.04454	0.6
115.03946	0.4
119.04953	1.8
121.02894	0.4
121.06503	0.7
122.03654	2.4
123.04416	0.3
125.02354	2.1
127.03935	1.8
130.04196	0.3
131.04921	2.4
133.02858	1.0
133.04921	0.4
133.06467	0.5
134.03603	0.3
135.04414	1.1
136.08681	0.3
137.02351	2.4
137.05978	27.9
138.03142	0.7
138.06313	0.5
139.03877	0.4
143.03407	4.0
143.04523	0.4
143.04874	0.3
145.02922	0.5
145.04968	1.0
147.04419	2.7
149.02374	0.5
149.05991	0.8
150.03133	1.2
151.03909	2.8
151.07584	0.8
151.11143	0.4
152.01028	0.4
153.01830	70.4
153.02890	3.5
153.05351	2.6
154.02231	0.8
156.47414	0.3
159.04407	3.2
161.02367	0.4
161.05974	2.0
162.03191	1.5
163.03905	1.4
163.07524	0.7
164.04781	0.6
165.01859	3.1
165.05478	0.9
165.06909	0.6
166.02603	0.9
166.07700	0.5
167.03377	1.0
167.07043	1.3
169.12270	0.7
171.02917	0.7
171.04346	0.8
173.02364	0.4
174.03133	0.6
175.03906	2.9
175.07491	0.4
176.04683	1.6
177.01843	1.0
177.05440	1.9
178.02606	1.4
179.03389	4.6
179.07056	1.0
179.08481	0.3
180.00536	1.2
181.04962	2.5
181.06351	0.4
183.02901	1.2
183.08069	0.4
187.03909	2.1
189.05479	1.3
190.02678	1.1
191.03400	6.1
191.07028	1.0
192.04105	0.8
193.01430	0.6
193.04971	2.6
193.06516	0.7
193.12328	0.3
194.02127	0.6
194.07278	1.6
195.02888	6.4
197.04460	5.3
199.03902	1.1
202.02612	0.7
203.03368	0.9
204.04173	1.9
205.04961	5.1
205.06612	0.4
207.02887	1.2
207.04866	0.3
207.06497	1.8
208.03712	0.6
209.04472	4.4
210.06775	0.4
211.07599	0.4
215.03345	1.7
216.04227	1.2
217.04962	4.6
217.06865	0.5
218.02068	0.8
219.02974	0.8
219.06538	3.7
220.03658	0.7
221.04254	1.8
221.06253	0.7
222.06770	0.8
223.02396	0.6
223.06061	1.4
225.09163	0.5
227.03447	1.4
229.04938	0.8
230.02151	0.6
231.02879	0.8
232.03682	1.4
233.04425	7.7
233.07950	0.8
235.05992	2.7
237.03882	0.9
237.09064	1.0
243.02922	0.5
244.03568	0.7
245.04485	8.6
245.06926	0.6
247.06006	6.3
251.05478	6.1
253.08528	0.7
255.02657	0.5
255.04985	0.5
256.04037	0.3
257.04391	0.6
260.03220	0.5
263.05505	19.6
265.08640	2.7
267.10101	0.5
271.09656	0.9
272.84924	0.4
273.03928	4.3
274.04419	0.3
275.05524	6.8
277.08670	0.5
281.06549	1.5
282.09360	0.4
283.09677	0.3
285.11243	2.0
285.16904	0.5
290.04276	1.2
292.50449	0.4
293.06607	3.4
297.11298	3.9
301.03394	1.1
309.11200	0.6
311.07626	1.5
315.12286	4.9
319.04480	100.0
320.04840	2.7
322.41748	0.3
337.65646	0.3
367.31259	0.3
387.95407	0.3
421.13681	0.6
463.08871	0.5
463.17072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0978
Annotation	11-o-Galloylbergenin
Peak:m/z	Relative Intensity
50.39270	0.2
51.02378	0.6
55.01864	0.5
57.03437	0.3
58.14571	0.2
65.03925	0.4
65.35431	0.2
69.03422	0.6
70.00771	0.6
79.01852	6.0
79.05485	0.3
81.03401	0.4
81.37300	0.2
82.70177	0.2
85.02902	4.3
91.68726	0.2
97.02901	1.0
103.03954	1.1
105.03349	0.3
107.01289	1.5
107.04963	0.3
109.02875	0.3
115.05439	0.2
119.04974	0.4
125.02342	3.8
127.03914	0.5
131.04918	1.0
133.02827	1.3
138.03104	0.5
143.03403	7.5
145.02960	0.3
147.04422	0.5
150.03131	1.1
151.03885	0.7
153.01826	100.0
153.02901	6.0
154.02106	1.3
159.04419	1.2
159.05661	0.3
162.03148	0.6
163.03918	0.5
165.05522	0.4
166.02605	0.7
167.03287	0.3
171.02907	0.4
171.04384	0.4
175.03923	1.0
176.04663	0.9
177.01823	3.5
177.05412	0.8
177.35893	0.2
178.02660	0.4
179.03410	0.9
180.00592	0.3
181.04942	7.8
187.03882	1.5
190.02641	0.9
191.03406	2.0
191.07050	0.4
192.04134	0.3
193.04926	1.3
194.02173	0.7
195.02907	1.2
197.04480	1.4
199.03883	1.1
203.03345	0.3
204.04140	1.3
205.04924	2.7
206.02103	0.4
207.03001	0.3
207.06563	0.3
209.04446	7.3
211.02269	0.3
213.03918	1.5
215.03423	0.9
216.04108	0.7
217.01418	0.3
217.04831	0.5
219.02971	0.6
219.06480	1.9
221.04439	2.6
223.06032	0.5
229.05026	0.6
231.02971	0.3
232.03687	0.5
233.04428	3.9
234.09207	0.2
235.06029	0.3
237.03987	0.3
247.06036	3.8
249.03937	0.3
251.05492	2.9
255.05002	1.9
257.04471	1.0
260.03137	1.5
263.05466	2.7
275.05508	8.7
276.05777	0.3
293.06543	7.0
311.07684	1.4
413.84866	0.3
429.20071	0.3
463.08099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0978
Annotation	11-o-Galloylbergenin
Peak:m/z	Relative Intensity
50.01593	0.3
51.02370	1.0
53.00305	0.2
53.63600	0.1
55.01870	0.5
57.03422	0.4
68.68710	0.1
69.03421	0.4
69.07050	0.1
69.31123	0.7
73.02910	0.3
73.29196	0.1
79.01851	6.2
79.05499	0.3
81.03403	0.2
81.91002	0.2
83.29056	0.1
85.02901	4.3
91.05462	0.4
91.47989	0.1
93.07021	0.2
95.04983	0.2
97.02895	1.0
98.22703	0.3
103.03927	0.6
103.05463	0.2
104.25801	0.1
105.03415	0.2
105.07027	0.2
107.01302	1.4
107.04933	0.3
109.02898	0.2
109.10148	0.3
119.04908	0.2
121.02849	0.3
125.02347	3.3
125.06003	0.3
127.03917	0.6
131.04900	1.0
133.02847	1.5
135.04422	0.3
135.11688	0.2
137.02261	0.2
137.06012	0.8
138.03128	0.7
143.03394	6.9
145.02841	0.2
147.04356	0.7
149.02338	0.4
149.05992	0.2
150.03127	1.3
151.03896	0.9
153.01823	100.0
153.02899	6.6
153.12769	0.1
154.02141	1.1
154.03229	0.2
159.04393	1.4
161.05934	0.3
162.03116	0.8
163.03893	0.5
165.05499	0.5
166.02675	0.7
167.03386	0.5
171.02873	0.4
171.04428	0.4
173.02342	0.2
175.03909	1.2
176.04703	1.2
177.01828	3.3
177.05473	1.0
178.02570	0.3
179.03381	1.1
179.07085	0.1
180.00543	0.3
181.04945	7.8
182.03397	0.1
182.05254	0.2
185.17159	0.1
187.03839	1.4
188.04655	0.2
190.02634	0.5
191.03410	1.9
191.07028	0.3
192.04195	0.4
193.04926	1.4
194.02066	0.9
195.02873	1.5
197.04407	1.4
199.03879	1.0
201.05492	0.3
203.03322	0.3
204.04126	1.1
205.04948	2.9
206.02092	0.3
207.02946	0.4
207.06590	0.3
209.04440	6.9
213.03894	1.3
214.02527	0.3
215.03395	1.2
215.06711	0.2
216.04178	0.6
217.04965	0.2
218.02162	0.5
219.02954	0.7
219.06473	1.6
221.04428	2.9
223.02388	0.1
223.06021	0.5
229.04922	0.8
231.02841	0.3
231.06564	0.2
232.03683	0.7
233.04434	3.3
235.06166	0.3
237.03983	0.5
243.02887	0.7
245.04527	0.2
247.06015	3.2
249.04024	0.4
251.05490	2.9
255.04988	1.8
257.04391	0.9
260.03171	1.2
263.05484	2.7
263.08087	0.2
275.05481	8.0
276.05911	0.3
281.06586	0.2
289.05228	0.3
293.06537	5.4
311.07547	1.6
315.12216	0.2
445.07770	0.3
463.08673	0.2
481.26175	9.5
482.26538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.098
Annotation	11-o-Galloylbergenin
Peak:m/z	Relative Intensity
50.01595	0.4
51.02384	0.9
51.02604	0.2
51.38020	0.1
53.88387	0.1
55.01876	0.3
57.03437	0.6
58.42920	0.1
59.55054	0.1
68.99782	0.2
69.03433	1.3
69.49471	0.5
69.49871	0.2
73.23289	0.1
79.01854	6.3
79.05490	0.2
81.03429	0.5
83.04990	0.3
85.02905	6.4
87.04462	0.3
91.05494	0.2
97.02899	1.7
98.22717	0.2
103.03935	0.4
107.01325	1.6
107.04949	0.2
107.08604	0.2
109.02879	0.6
115.03950	0.5
116.83243	0.2
120.23525	0.1
121.02910	0.8
123.00792	0.3
123.11726	0.2
124.01501	0.1
125.02346	3.3
127.03908	0.8
131.04941	0.6
133.02870	0.5
133.04990	0.5
133.06540	0.2
138.03140	0.6
143.03395	7.7
145.04932	0.2
147.04448	0.5
149.02350	0.9
149.06046	0.3
150.03119	1.5
151.03923	1.2
152.01054	0.7
152.04541	0.2
153.01825	100.0
153.02890	6.1
153.12747	0.2
154.02145	1.2
159.04401	1.2
162.03090	0.3
163.03894	0.2
165.05438	0.5
166.02609	0.5
167.03389	0.5
171.02922	0.9
175.03911	0.5
176.04686	0.5
177.01814	2.4
177.05440	0.9
178.02649	0.3
179.03397	1.2
180.00517	2.6
181.04938	2.9
181.06410	0.3
185.15797	0.2
187.03856	1.2
188.04626	0.2
190.02559	0.3
191.03398	1.5
191.07074	0.3
192.04196	0.2
193.01384	0.3
193.04973	0.9
194.02087	2.5
195.02887	12.8
196.03160	0.3
197.04469	1.5
198.04895	0.2
199.03891	0.4
204.04198	0.6
205.04913	1.3
205.15451	0.2
206.02116	0.2
207.02908	0.4
207.06538	0.3
209.04451	21.2
210.04829	0.3
211.02293	0.8
213.03998	0.6
215.03355	0.7
216.04173	0.4
219.06514	1.0
221.04459	1.5
223.06049	0.4
225.03897	0.8
229.04964	0.3
231.02881	0.2
232.03593	0.5
233.04436	1.3
235.06018	0.3
237.03978	0.3
243.02783	0.3
247.06004	2.3
249.03914	0.3
251.05539	1.6
254.51991	0.2
255.04997	3.7
257.04468	0.5
260.03162	0.5
263.05545	1.0
265.07227	0.2
275.05521	4.7
275.43692	0.2
293.06570	2.8
311.07574	0.6
437.14026	0.4
463.08392	0.7
481.09283	0.7
481.13187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.1
59.05270	2.1
69.35903	7.6
71.04974	7.3
79.05473	2.9
81.07039	3.5
85.02900	10.7
91.05450	2.7
95.05002	1.9
95.08591	3.1
98.97578	4.5
100.11249	2.4
105.07065	3.6
107.04974	2.5
108.27884	2.2
116.98634	2.3
127.03965	2.3
129.05466	5.0
135.04364	2.8
137.05988	20.7
147.06575	2.3
151.07504	8.4
191.10620	3.6
215.10371	3.9
215.14131	1.9
219.01855	2.6
233.15437	4.6
237.02803	2.5
245.06381	3.0
271.04224	3.9
289.05304	14.2
292.34659	2.1
335.97379	2.1
395.16556	3.1
421.11530	3.4
437.17642	18.5
445.25537	5.7
481.16580	100.0
482.16904	3.5
497.57159	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1682
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
55.05508	1.5
69.12797	4.5
69.29184	0.7
72.65867	0.7
83.08605	1.5
84.04554	1.1
96.04150	0.8
98.22588	1.3
100.11258	5.4
113.62344	0.8
114.09168	0.8
137.05984	2.5
151.07591	1.4
167.03171	1.4
182.15405	2.5
185.04286	1.0
193.04933	1.3
227.05341	2.1
229.16245	0.9
232.10728	3.1
233.11568	2.4
271.04196	5.0
283.20010	0.9
335.78064	0.7
395.16739	4.1
419.17010	1.1
437.17767	19.7
463.15854	3.3
480.36136	2.2
481.16788	100.0
481.37274	3.2
482.17157	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	481.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	0.5
69.19290	2.2
79.05489	0.4
81.07027	0.5
85.02879	0.6
85.43473	0.4
93.07066	0.6
96.35014	0.4
98.22726	1.0
98.97562	0.6
115.98178	0.5
121.10206	0.5
137.05981	2.7
143.64490	0.4
149.09669	0.4
153.01852	0.4
153.05573	0.4
163.07507	0.4
167.03156	0.7
181.04926	3.1
185.04283	0.5
192.89984	0.5
227.05257	2.1
233.11465	6.9
264.02347	0.4
266.53973	0.5
271.04221	4.8
308.36441	0.5
382.43607	0.5
395.16629	6.5
437.17740	28.2
438.18005	0.9
464.14236	0.5
478.15158	0.6
481.16614	100.0
482.16919	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	481.1686
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
53.78159	0.4
57.07076	0.5
67.05501	0.6
69.03425	1.1
70.04536	0.7
70.04890	0.9
76.63913	0.4
79.99690	0.4
81.03440	0.6
81.07062	0.7
82.52508	0.4
85.02905	1.9
87.04472	0.5
91.05469	0.5
93.07033	0.6
95.08611	1.9
97.02895	1.0
99.42133	0.4
105.07043	0.4
107.08598	0.8
109.10191	0.8
115.03888	0.7
116.35166	0.4
119.01805	0.5
127.03940	0.7
133.04994	0.7
135.11685	0.7
137.05913	2.4
139.03918	0.5
147.04434	0.5
151.03922	1.2
153.01865	0.8
153.12721	0.6
161.03008	0.8
167.03172	0.6
177.09099	0.6
185.04295	0.7
189.58311	0.4
215.14302	0.5
227.05183	2.2
233.11446	6.3
233.15237	0.4
237.79027	0.4
271.04218	5.1
272.04712	0.4
370.92093	0.5
395.16605	4.6
419.16599	0.8
437.17804	24.2
438.18124	1.2
481.16782	100.0
482.17136	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	481.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
55.69362	0.3
61.28738	0.3
63.58301	0.3
67.05504	0.7
69.03418	0.3
69.07068	0.5
71.04992	0.4
79.05475	0.6
81.03405	0.4
81.07059	1.0
83.08636	0.5
85.02925	0.5
91.05464	0.4
93.07045	0.6
95.08611	0.6
98.23499	0.9
100.11259	0.7
102.23916	0.3
105.07033	0.6
109.10196	0.5
112.07542	0.3
119.08613	0.4
133.10164	0.4
135.11696	0.4
151.67560	0.3
185.04266	0.9
196.13350	0.4
210.15004	0.3
227.05296	0.8
231.34859	0.3
233.15146	2.9
261.14587	0.8
269.90204	0.3
275.16266	0.8
309.63562	0.3
312.26666	0.3
324.11661	0.3
377.19406	0.6
395.20416	13.4
396.20978	0.4
419.20297	0.9
437.21478	30.7
438.21841	1.5
481.20450	100.0
482.20789	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	481.205
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
65.27111	0.6
67.05498	0.8
69.03422	0.9
71.04992	2.0
81.07059	3.2
85.02896	2.9
97.02872	0.9
105.07018	0.7
107.08575	0.9
109.10167	1.1
121.10200	0.8
127.03873	0.7
129.05475	1.0
133.10147	1.0
137.05998	2.7
137.13258	0.8
139.03905	1.3
149.13165	0.8
161.02881	0.9
233.15198	3.4
280.34628	0.7
289.05426	1.6
319.22684	1.0
395.20352	6.7
399.20062	0.6
431.07785	0.9
432.45792	0.7
437.21393	22.7
438.21603	0.8
481.20422	100.0
482.20740	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	481.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71097	0.8
55.01880	1.6
55.05506	3.8
56.96575	5.0
57.03438	8.3
59.04992	1.6
61.02924	1.4
67.05509	1.7
69.03432	22.9
69.06706	1.6
69.07068	19.9
69.25203	2.7
69.25591	1.2
71.04991	15.4
73.02919	1.6
73.06546	1.3
79.01854	5.3
79.05487	1.6
81.03412	2.9
81.07042	3.5
84.96030	3.2
85.02909	23.1
87.04472	15.0
91.05477	2.0
93.07042	2.4
95.04962	2.2
95.08630	1.1
97.02892	20.2
97.06532	37.8
98.23468	1.8
98.97583	21.9
99.04466	1.9
103.03915	1.3
103.05501	1.0
104.35393	0.8
105.07018	1.7
107.01305	1.7
107.04939	1.5
107.08585	3.6
109.02879	2.3
109.06505	1.7
109.10171	4.2
110.97588	4.6
110.98226	0.8
111.08106	2.4
112.99141	1.5
115.03935	18.3
116.98629	6.6
119.04950	2.6
121.02887	1.3
121.06503	1.2
121.10120	0.9
123.04504	1.0
123.08115	0.9
123.11707	3.0
124.99113	1.4
125.02335	3.9
127.03909	3.3
128.98584	3.2
131.04927	3.5
133.04968	19.6
133.10126	1.0
134.99710	0.8
135.08078	1.1
135.11670	1.1
137.02357	1.9
137.05971	10.5
139.03891	1.1
139.11281	1.0
140.98586	2.7
143.00172	3.2
143.03375	6.4
144.98134	1.0
145.04968	3.7
146.99693	1.2
147.04393	3.7
150.03099	1.2
151.03925	4.5
151.11185	8.2
152.98566	3.8
153.01830	100.0
153.02905	5.8
153.05429	2.5
154.02196	2.1
158.99646	5.8
159.03297	0.9
159.04416	4.8
161.01225	2.6
161.04466	2.3
161.05968	2.2
162.03084	2.0
162.99124	1.0
163.03973	1.8
163.06068	1.0
164.04614	1.0
167.03484	0.9
167.07071	0.9
169.05060	1.3
169.12233	29.4
170.99683	4.2
171.02936	0.9
171.04434	1.7
175.03935	3.9
176.04683	2.2
177.00676	2.4
177.01971	1.9
177.05518	2.4
178.02623	2.1
179.03426	4.4
180.00557	2.9
181.04979	3.3
187.03908	3.6
187.13199	1.1
189.00681	1.0
190.02620	1.6
191.03395	10.2
192.04152	1.6
193.04961	3.5
195.02913	8.3
197.04471	9.0
199.03909	1.2
201.00703	1.6
203.03290	1.4
204.04167	2.6
205.04985	7.9
205.06892	1.3
207.06552	2.7
209.04495	7.8
209.06363	1.2
215.03583	1.9
215.09210	1.0
216.04134	1.8
217.04921	1.2
219.01642	8.6
219.06451	6.0
221.04506	1.1
223.05957	2.3
225.03987	1.0
227.03395	1.3
232.03612	1.6
233.04449	9.8
235.05917	3.9
237.02744	9.3
241.07071	1.2
243.02927	1.3
245.04402	3.6
247.06053	9.2
251.05508	6.4
255.05099	1.2
263.02701	1.5
263.05518	30.0
264.05734	1.2
265.08594	1.4
275.05527	11.3
281.06570	1.4
289.09607	5.6
293.06613	7.4
297.11038	1.3
307.10638	25.5
308.10822	1.0
311.07532	1.5
315.12402	1.7
319.04541	1.1
325.11652	1.9
421.13828	48.4
422.14200	1.8
439.14542	1.3
481.16022	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	481.2412
Annotation	Trp Tyr Leu
Peak:m/z	Relative Intensity
50.38734	1.5
51.22829	1.4
69.03411	3.2
69.47923	6.8
85.02917	2.7
86.26616	1.6
87.04472	1.8
93.07004	1.8
95.08625	4.7
98.23448	3.8
98.97551	1.9
107.81007	1.5
119.08538	1.9
133.04956	1.8
136.94073	1.7
137.05989	4.5
151.07587	2.6
151.14856	2.5
233.15660	1.8
274.97504	1.6
328.34570	1.7
421.22028	19.3
445.25885	2.8
481.24203	100.0
482.24448	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	481.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60995	0.3
59.44351	0.3
63.50094	0.3
70.13469	0.6
70.13787	0.4
76.88828	0.3
84.18716	0.4
86.87421	0.3
86.87903	0.4
98.23354	0.4
104.99255	0.4
111.66934	0.3
120.23003	0.3
124.68958	0.3
133.10893	0.3
164.92020	0.6
175.03635	0.3
201.20570	0.3
210.56554	0.3
219.70734	0.3
311.25403	0.4
400.67249	0.4
481.25620	100.0
482.25894	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	481.2562
Annotation	Demethylzeylasteral
Peak:m/z	Relative Intensity
53.03445	0.2
60.76763	0.2
67.05499	0.5
71.96134	0.2
79.05485	0.4
81.07053	0.7
91.05482	0.4
93.07054	0.6
105.07063	0.3
118.07425	0.2
118.08404	0.2
128.87598	0.3
181.78455	0.3
195.09961	0.7
199.08479	0.2
205.56023	0.2
237.14613	4.0
239.99159	0.2
247.50826	0.2
463.30475	0.3
481.25571	100.0
482.25922	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	481.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07806	2.5
53.03951	4.2
55.05503	3.4
65.03936	4.0
66.18884	2.3
67.05502	23.4
68.99809	2.8
69.72802	10.4
79.05480	22.2
81.03419	10.3
81.07062	24.1
83.04919	3.2
91.05465	15.3
93.07041	20.6
95.04982	8.0
95.08583	14.0
97.06567	4.4
103.05518	2.9
105.07032	13.7
105.18829	2.8
106.71741	2.6
107.04942	4.6
107.08604	7.9
109.10130	3.7
111.04473	4.0
115.05473	3.8
117.06969	5.4
119.08591	6.7
121.06517	3.6
121.10156	10.3
123.04419	25.6
125.05991	59.0
125.06911	3.5
127.03912	30.7
129.06998	3.8
131.08600	5.2
133.06488	15.4
133.10086	3.3
135.11714	5.1
137.01292	4.8
137.02342	100.0
137.05969	24.4
143.08554	2.7
145.06541	3.3
145.10199	6.9
147.04436	9.2
147.08046	9.1
149.05936	13.1
151.07552	4.9
153.05467	94.1
161.05954	14.9
163.03899	10.8
163.07567	12.1
165.05482	8.7
167.07053	4.1
167.08505	3.1
173.05994	7.1
175.07584	11.4
177.05501	20.4
177.09120	11.8
179.07045	21.1
187.07555	11.9
189.05496	10.6
189.09088	7.7
191.07076	7.2
191.10641	4.7
193.08586	27.0
199.07539	7.4
201.09158	12.2
203.10663	3.9
205.08508	2.9
207.10214	6.0
213.09097	18.7
215.10721	5.1
219.10316	5.6
225.09238	3.9
227.10669	8.2
229.08588	3.4
229.12210	4.6
233.11713	6.8
235.13234	3.5
241.12329	5.6
262.64673	3.1
329.20999	5.4
340.74329	2.9
449.23596	3.5
463.24625	26.6
481.25488	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	481.2954
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
55.01865	1.3
55.05502	3.4
57.33134	0.7
65.03918	1.1
66.10358	0.7
67.05507	10.9
68.99786	5.2
69.07043	1.4
69.61759	3.1
77.93958	0.8
79.05495	10.4
81.07064	12.3
83.01347	1.4
83.08632	0.9
89.06013	0.9
91.05473	6.9
93.07039	6.6
95.04968	3.6
95.08611	10.1
96.05784	1.3
103.05463	1.9
105.07014	3.9
107.04946	7.9
107.08590	2.8
109.02812	0.7
109.06501	3.1
109.10167	2.9
111.04424	1.2
111.08086	2.6
111.69051	0.7
115.05473	1.7
117.07035	3.1
119.08610	2.1
121.06503	6.7
121.10141	4.4
123.04430	28.4
124.05232	7.4
125.05991	3.3
129.07010	2.6
131.08539	2.1
133.06490	1.5
133.10107	1.3
135.08051	9.4
135.11690	1.7
137.05978	22.8
139.07541	65.1
140.07828	1.0
141.06969	0.8
143.08569	1.2
145.06491	2.2
147.04431	1.2
147.08052	3.4
148.05208	1.8
149.05977	36.3
149.09653	1.9
150.06271	1.3
151.07547	6.9
153.05450	5.6
157.06537	1.0
159.08067	2.5
161.05966	8.7
161.09607	2.7
162.06778	2.0
163.07547	100.0
164.07945	1.6
165.09109	1.5
167.07037	85.9
168.07425	2.0
173.05992	2.4
173.09576	1.1
175.07555	11.4
177.09113	53.9
178.09402	1.5
179.07094	0.8
181.08603	1.6
187.07588	2.7
187.11205	0.9
189.09108	12.0
191.10657	7.6
193.08551	5.8
193.12256	0.7
201.09100	2.9
203.10696	10.1
205.12128	1.8
207.10161	6.1
213.09044	0.8
215.10588	1.3
215.14012	0.8
217.12256	3.0
221.11787	1.1
229.12148	1.2
231.13713	1.1
233.11763	1.2
245.35970	1.0
327.23074	1.7
376.86060	0.8
449.26947	3.7
453.29993	1.2
463.28354	2.4
481.28403	18.0
482.29523	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.295
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
53.03936	0.7
55.01858	0.5
55.05517	2.2
65.03918	1.5
67.05505	6.1
68.99773	0.5
69.03434	0.5
69.07046	1.1
69.27552	1.4
77.03912	0.6
79.05492	5.9
81.07053	6.3
82.04193	0.5
85.02878	0.4
89.06022	0.9
91.05476	4.7
93.03380	0.5
93.07049	3.2
95.04974	2.9
95.08607	4.3
97.06511	1.6
98.23415	0.9
103.05441	2.3
105.03342	0.5
105.04516	0.4
105.07056	2.3
107.04952	5.8
107.08590	1.4
109.06525	2.4
109.10141	1.3
110.03645	0.8
111.04432	1.1
115.05434	2.4
117.07023	3.7
119.04947	0.5
119.08568	1.1
121.05707	0.6
121.06507	7.0
121.10128	2.3
123.04421	3.6
123.08051	0.8
124.93777	1.8
125.05988	30.6
129.06984	1.4
131.04916	1.3
131.08560	1.6
132.05731	0.5
133.06482	4.7
135.04399	0.9
135.05453	0.6
135.08043	3.7
135.11674	1.2
137.05978	34.7
139.03882	1.5
139.07510	1.1
142.94772	0.6
143.08496	0.5
144.05669	1.0
145.06445	2.4
145.10092	0.4
145.72447	0.4
146.07230	1.1
147.04364	1.5
147.08069	3.4
148.05150	0.7
149.05978	1.1
149.09625	5.8
151.07545	9.1
153.05467	34.7
154.05733	0.5
155.08496	0.6
157.06438	0.6
158.07249	0.6
159.08052	1.7
160.05171	1.6
160.08789	0.5
161.05975	5.3
161.09601	2.4
162.06763	4.4
163.07544	38.6
163.11169	0.9
164.07841	0.8
165.05479	0.6
167.07079	1.7
171.08034	0.8
173.05981	1.4
173.09554	0.6
174.06764	1.6
175.07553	9.8
175.11192	0.4
176.08289	1.8
177.09105	100.0
178.09433	2.0
179.07018	6.3
179.08435	0.6
179.10629	0.5
187.07532	3.8
187.11208	0.5
188.08302	0.6
189.07489	0.6
189.09100	10.0
191.10663	34.6
192.10951	0.7
193.08612	9.6
197.09544	0.5
201.09116	1.6
203.10663	7.6
203.12457	0.7
205.08585	0.8
205.12253	4.4
207.10158	1.5
214.73474	0.3
215.10666	1.4
217.12222	5.6
219.10170	1.9
219.13811	0.5
229.12299	1.0
231.13818	2.7
231.15916	0.5
233.11652	2.5
247.13219	0.5
257.08072	0.9
283.17511	0.6
341.24896	0.9
364.53009	0.4
399.21576	0.4
447.08511	0.4
449.26846	2.0
453.29968	1.0
463.28348	3.0
481.23053	2.4
481.29437	24.6
482.29715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05511	2.5
57.03413	0.7
65.03942	1.9
67.05502	9.5
68.99796	2.4
69.07074	1.3
70.63467	1.3
79.05486	10.3
81.07056	9.2
83.08640	1.1
89.95445	0.7
91.05479	6.9
93.07059	6.5
95.04961	3.0
95.08606	7.6
97.06512	3.3
97.10207	1.0
103.05458	5.1
105.04527	1.0
105.07041	5.3
107.04947	12.4
107.08586	2.0
109.06523	2.7
109.10164	2.2
110.03671	0.8
111.04442	1.4
115.05444	3.7
117.07023	2.9
119.08607	1.3
120.54169	0.7
121.06494	6.1
121.10155	6.1
123.04448	5.0
123.08092	1.8
125.05991	47.7
128.06232	0.9
129.07048	1.3
130.66466	0.7
131.04930	2.8
132.05725	0.9
133.06487	6.2
134.06929	0.6
135.04370	0.8
135.08061	7.4
135.11661	1.8
137.05978	55.5
139.03914	3.3
139.07544	3.3
144.05716	0.9
145.06467	2.9
145.10237	0.8
146.07333	0.7
147.04396	1.3
147.08046	5.2
148.05214	1.6
149.05977	1.8
149.09612	3.1
151.07553	20.7
153.05467	65.7
158.07336	1.0
159.08080	1.4
160.05226	3.1
161.05971	11.1
161.09604	1.4
162.06735	3.2
163.07539	100.0
164.07846	1.5
165.09215	0.8
167.06955	1.7
171.07961	0.9
174.06789	3.6
175.07547	24.5
176.08275	1.8
177.09113	33.7
178.09509	0.9
179.07028	7.5
185.86905	0.7
187.07530	4.0
188.08289	1.3
189.09105	19.1
191.10686	7.2
193.08572	12.6
203.10663	11.2
205.12248	1.6
207.10138	2.0
215.10670	1.6
217.12222	23.1
229.12265	1.5
231.13805	14.5
245.15355	1.6
257.08017	1.5
271.09567	1.4
275.08997	0.8
283.09619	0.8
309.29901	2.1
319.22528	0.8
341.24625	2.3
343.22675	5.6
357.23953	1.1
363.64764	0.8
399.21579	2.2
413.23093	2.7
449.26733	2.2
463.28238	4.5
481.29340	59.2
482.29816	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	481.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73609	3.2
58.60276	3.1
67.05503	4.0
67.93900	3.5
69.25174	17.9
74.45988	3.3
81.07067	4.8
100.10503	4.2
109.10098	5.3
117.88264	3.1
159.06563	6.6
174.55475	3.5
181.04767	6.5
183.59000	3.7
193.26321	3.4
323.25525	11.2
445.71637	3.6
481.31284	100.0
481.37790	8.6
482.31668	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	482.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24686	0.9
108.95842	1.1
113.65853	1.0
131.37149	0.9
139.91475	100.0
140.59145	0.8
143.42230	1.0
147.20648	1.0
205.98718	1.2
245.43901	1.0
317.80066	1.0
370.22446	1.0
381.07941	39.6
382.08505	1.4
499.34686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01871	3.0
55.05519	1.6
57.03437	4.1
58.04417	0.8
61.02924	1.3
67.05497	2.4
68.99781	1.7
69.03429	19.6
69.07063	3.1
69.14797	3.9
71.04989	1.7
73.02918	2.5
79.01851	1.2
79.05494	3.4
81.03416	14.1
81.07053	6.1
83.08637	1.7
85.02908	12.9
87.04475	5.2
91.05465	4.3
93.03439	0.9
93.07051	5.9
95.04974	2.8
95.08603	2.5
97.02894	13.0
97.06536	2.8
99.04465	3.9
103.03973	0.9
103.05500	1.6
105.07043	2.6
107.04948	3.2
107.08600	4.9
108.02052	1.0
109.02876	5.6
109.10140	2.1
111.04441	2.1
111.08044	0.9
115.03934	9.9
115.05420	0.8
115.58752	0.8
119.04943	6.3
119.08605	2.9
121.10172	1.7
127.03024	1.9
127.03920	23.9
131.04901	4.5
133.02872	2.4
133.04950	10.7
133.06522	1.0
133.10106	1.1
135.04436	1.8
135.08096	0.9
135.11696	6.1
137.02338	98.2
137.09576	1.1
137.13278	0.9
137.50240	1.0
138.02731	1.1
145.02852	1.6
145.04976	2.8
145.06557	1.1
146.03670	0.9
147.04410	8.9
147.08080	1.0
147.11633	1.1
149.06096	0.9
150.03120	3.0
151.03899	7.3
152.01045	1.9
152.04303	1.1
153.01822	9.4
153.05487	9.2
153.12735	25.8
154.02110	5.2
155.03401	0.9
159.04405	8.6
161.02420	1.2
161.05989	2.8
161.09642	1.0
162.03090	5.7
163.03897	8.5
163.05984	1.1
164.04683	1.5
165.01883	1.7
165.05478	1.8
165.12756	1.2
167.03409	3.9
171.04506	0.9
173.02345	2.1
174.03186	1.7
175.03902	13.9
175.11168	1.2
176.04688	4.2
177.01855	2.2
177.05446	7.5
178.02611	5.8
179.03410	8.7
179.06900	2.1
180.00514	5.6
181.04950	3.6
182.05527	0.8
187.03894	6.6
189.05438	3.2
190.02625	5.9
191.03384	34.5
191.06981	2.7
192.04060	3.4
193.01303	2.0
193.04955	14.9
193.12186	1.3
194.02205	1.4
195.02895	33.5
195.06540	3.6
197.04462	19.6
199.03897	2.1
199.13231	1.1
202.02661	2.4
203.03384	2.3
204.04178	3.4
205.04956	23.4
205.06824	1.5
206.02155	2.1
207.02870	6.7
207.06500	7.3
208.03612	1.3
209.04457	15.3
211.02333	2.4
211.13297	1.2
215.03412	4.5
216.04153	1.7
217.04897	6.8
218.02171	3.4
219.02922	4.0
219.06474	13.3
220.03606	1.9
220.74823	0.8
221.04413	12.0
223.02463	5.8
223.05983	11.9
225.03922	3.6
227.03320	1.8
229.05016	2.3
230.02130	3.0
231.06505	1.2
232.03592	2.1
233.04446	43.9
234.04819	1.6
235.06024	10.3
237.03981	1.6
239.05495	4.0
243.02829	1.2
245.04437	12.5
246.05196	1.2
247.06041	16.5
249.03955	2.5
249.07738	1.0
251.05495	59.8
252.05743	2.0
257.04489	4.5
259.08173	0.9
260.03217	1.2
263.05505	100.0
264.05884	3.7
265.06946	1.2
267.15909	2.4
275.05490	26.6
276.05814	1.1
281.06479	7.7
285.16934	9.0
293.06531	27.0
294.06866	1.9
295.10114	1.3
297.16965	1.1
311.07602	23.5
315.18097	2.6
319.04443	1.7
320.04779	1.9
327.13403	1.2
341.15140	1.6
381.05731	1.1
399.07266	1.5
429.07391	1.1
447.09030	2.0
465.10287	10.4
482.22733	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86485	0.5
53.03951	0.6
55.01856	1.6
57.03432	1.2
60.89444	0.5
61.02885	0.5
69.03433	5.7
69.07059	1.1
70.51086	0.6
71.04984	1.2
76.31103	0.5
79.05478	1.5
81.03416	5.4
81.07059	3.0
83.05003	0.6
83.08612	0.5
85.02913	4.7
87.04461	2.0
91.05495	1.2
93.03400	0.8
93.07041	1.8
95.04966	0.6
95.08599	0.6
97.02908	2.4
99.04444	1.4
103.03940	0.5
105.07018	1.1
107.01331	0.6
107.04936	1.4
107.08597	1.4
109.02885	1.7
110.92232	0.5
111.04453	1.4
115.03927	2.1
115.05479	0.6
119.04925	2.1
119.08562	0.7
121.06509	0.6
127.03911	1.5
131.04912	1.8
131.08546	0.8
133.02875	0.7
133.04964	3.1
135.04417	0.9
135.11691	1.9
137.02344	100.0
137.03441	6.9
138.02701	0.9
145.02853	0.6
145.05103	0.8
147.04443	3.4
148.19597	0.5
150.03130	1.0
151.03880	2.1
152.01071	0.7
153.01811	1.2
153.05453	2.7
153.12729	9.2
159.04443	2.1
160.02377	0.6
161.06006	0.7
162.03156	2.4
163.03874	3.6
165.05408	0.9
165.12764	0.7
167.03404	1.1
173.02428	1.0
173.09740	0.6
175.03886	4.5
176.04631	0.9
177.05472	2.8
178.02635	2.3
179.03401	3.0
179.06979	0.6
180.00549	1.6
181.00888	0.5
181.05011	1.1
183.91946	0.5
187.03929	1.9
188.36942	0.5
189.05441	0.6
190.02692	2.6
191.03383	14.5
191.07051	1.2
192.03998	0.5
193.04947	5.1
193.12265	1.9
195.02875	10.8
195.06541	1.6
197.04460	7.0
199.03807	0.7
202.02693	1.2
204.04105	0.9
205.04942	10.9
207.02904	1.8
207.06564	2.3
209.04449	3.2
211.13367	2.2
215.03432	2.0
217.05035	1.7
218.02127	1.7
219.03006	1.0
219.06480	4.4
221.04501	4.2
223.02409	2.0
223.05936	5.2
225.03958	1.2
227.03416	0.7
230.02251	0.6
233.04428	18.4
235.06026	3.1
237.03886	0.7
239.05565	1.1
245.04478	3.8
247.06049	5.9
251.05493	24.1
257.04425	1.0
263.05496	34.5
265.07208	0.8
267.15927	1.0
275.05484	5.9
281.06516	4.3
285.16925	7.2
293.06537	9.4
295.10291	0.6
311.07562	11.7
447.09525	0.7
465.10260	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	482.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01876	2.0
57.03437	6.9
59.04998	0.6
60.16178	0.5
61.02930	9.0
69.03429	16.3
69.87727	1.3
69.88108	1.2
71.04977	1.6
73.02909	3.4
73.29537	0.5
81.03419	9.1
83.01348	1.0
85.02905	100.0
86.03247	0.8
87.04459	2.6
91.03961	6.2
97.02892	27.8
98.23460	0.6
99.04469	4.7
103.03933	1.4
107.08560	0.7
109.02881	44.7
115.03960	1.1
123.04494	0.9
127.03913	23.5
133.02789	0.7
141.04340	1.3
141.05463	36.4
145.04959	44.8
153.05446	1.3
163.06017	19.3
165.05399	1.2
177.05478	2.3
180.08797	1.8
189.05531	1.2
207.06525	3.2
227.49173	0.6
231.06738	0.8
249.07664	1.3
258.62378	0.6
260.82974	0.6
267.08609	4.1
289.09109	1.0
312.86444	0.5
325.11206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.0
57.03453	9.7
66.88108	9.4
69.03437	24.0
69.56116	16.6
69.56506	18.4
81.03428	18.4
81.93281	9.3
85.02913	74.2
87.00857	22.7
97.02895	21.8
98.22657	17.3
99.04465	15.7
105.01868	35.2
109.02891	28.5
125.04828	9.1
127.03925	66.6
127.31430	9.3
128.06302	12.4
128.48752	10.3
142.07806	25.8
143.08569	38.1
145.04964	32.0
149.02328	14.0
157.10139	100.0
159.02863	12.2
159.11687	33.4
171.11671	15.2
181.08632	12.4
199.14845	82.6
217.15945	12.8
237.07608	14.2
297.29929	10.6
482.31149	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.7
55.01885	4.1
55.94480	2.3
57.07089	2.4
57.74085	2.2
69.03425	14.4
69.07074	2.6
69.75470	7.7
70.06596	3.8
71.05006	3.5
73.02924	5.1
76.26740	2.4
80.81803	2.0
81.03416	14.6
85.02910	42.5
87.00832	16.1
88.07632	5.0
97.02888	14.3
99.04464	7.7
102.09221	2.7
105.01881	12.6
105.07072	3.0
108.04482	3.5
109.02868	16.8
120.26387	2.1
127.03923	37.7
128.06226	10.9
129.06982	2.4
142.07777	22.8
143.08568	46.6
145.04967	17.6
147.02876	4.3
149.02426	5.4
156.09346	8.3
157.10138	100.0
159.02914	15.6
170.10936	4.3
171.11722	28.8
193.04970	4.7
199.14830	65.7
199.16687	3.5
200.15244	2.5
217.15849	30.1
228.23222	6.9
231.05029	10.1
237.07634	5.5
390.40875	2.3
482.24423	5.2
482.31091	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.3
57.03433	21.6
60.37907	1.8
61.02921	5.7
67.05512	5.1
69.03431	23.9
69.07063	3.1
70.08025	6.0
70.33617	1.7
71.01353	2.2
71.04953	1.7
73.02915	32.3
79.01855	8.5
79.05492	3.7
80.02183	3.6
81.03420	3.0
81.07063	5.3
85.02906	40.0
87.04472	2.5
87.49807	2.2
91.05494	5.6
93.07043	54.0
95.08610	9.5
97.02899	29.3
97.06533	3.4
98.92400	1.7
105.07017	2.1
106.91415	1.9
107.08578	24.7
109.02901	4.4
109.10155	82.4
110.28178	1.9
115.03920	18.0
125.02346	3.7
127.03907	9.4
133.04976	7.6
135.11690	85.5
137.05855	2.1
143.03354	6.8
144.03792	4.4
145.04971	7.7
150.07550	2.4
153.01828	100.0
153.02942	8.7
153.12733	55.2
154.02167	53.6
154.03247	2.3
160.04692	2.6
163.06015	5.4
177.01823	2.2
178.02272	3.2
181.04958	8.2
182.05354	4.3
187.03854	2.9
193.04915	2.7
205.04916	2.2
209.04471	4.5
210.04837	3.0
221.04567	2.6
223.05981	3.9
233.04150	3.2
234.04626	2.1
236.93202	2.0
241.06982	4.3
248.06450	3.4
249.14870	3.3
259.08212	6.3
264.05966	3.0
267.15872	6.7
275.05646	4.6
276.05835	8.6
279.15942	2.2
293.06372	3.9
294.06873	7.4
295.10202	3.5
297.16962	26.5
315.17844	3.0
429.21576	2.8
450.58490	1.9
482.26492	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.8
54.58217	1.0
55.01871	4.2
55.05514	2.4
57.03439	8.1
57.07078	1.9
59.04991	1.9
61.02915	4.1
67.05502	2.4
69.03427	15.9
69.03767	2.0
69.07069	12.0
69.34198	5.1
71.01373	1.9
71.04993	11.0
73.02916	13.7
73.06544	1.4
76.97098	1.1
79.05494	4.2
81.03432	2.7
81.07050	11.2
83.08615	2.8
85.02902	33.9
87.04469	4.0
91.05487	4.2
93.07045	17.1
95.04961	2.0
95.08598	6.9
97.02887	21.0
97.06581	1.2
99.04475	1.5
100.29152	1.1
103.03959	2.8
105.07028	2.4
107.08584	15.2
109.02898	1.5
109.06482	1.1
109.10135	10.0
115.03915	10.8
119.08560	5.3
121.10101	1.8
125.13278	5.3
127.03888	9.1
131.08562	1.7
133.04970	15.5
133.06514	1.1
134.23944	1.2
135.11682	24.7
137.02379	1.8
137.05965	1.0
137.13255	1.4
145.04962	9.7
145.10117	1.2
153.12740	100.0
154.13011	2.0
159.11635	1.4
163.06033	4.5
165.12779	3.2
171.13870	2.6
173.09573	1.2
177.12720	1.9
205.01059	1.1
223.06078	1.9
235.04906	1.2
241.07166	2.4
259.08105	2.0
261.14948	1.9
263.05573	3.0
277.09348	1.1
285.16919	2.3
295.10373	2.1
297.16916	2.5
315.18173	6.7
333.19397	1.2
369.79263	1.2
463.16306	1.3
483.18307	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
53.33146	0.6
55.01867	1.0
55.05509	5.0
57.03437	5.1
59.05009	0.6
61.02911	1.8
67.05508	6.5
69.03428	3.7
69.07066	4.2
71.04996	3.4
73.02926	0.7
79.05486	6.9
81.03416	31.4
81.06571	0.6
81.07059	10.0
83.04986	4.6
83.08621	10.2
85.02906	15.8
85.06561	0.8
87.04445	0.9
91.05482	7.7
93.07033	6.4
95.04967	10.6
95.08628	3.9
97.02892	4.5
97.06519	2.4
97.10167	1.4
99.04476	1.3
99.08105	0.8
102.08256	0.6
105.07023	7.3
107.04952	2.3
107.08575	3.9
109.02860	1.1
109.06513	2.1
109.10185	0.7
111.04441	1.5
111.08067	5.8
111.11742	0.6
113.06019	1.1
115.03934	1.1
119.08574	5.9
121.02857	1.3
121.06535	0.9
121.10144	5.0
123.08064	1.0
123.11695	0.8
125.05977	0.8
125.09636	0.8
127.03920	2.5
129.07001	2.7
131.08548	4.0
133.04951	1.0
133.06485	1.0
133.10118	4.0
135.04404	1.2
135.08025	0.6
135.11687	2.4
137.02357	11.4
137.03377	0.8
137.05965	1.8
137.09641	1.4
137.13242	0.7
139.11176	2.6
142.07825	0.8
145.04979	1.1
147.04425	0.6
147.08075	0.8
147.11682	8.5
149.09557	2.8
151.03917	3.3
153.01810	1.6
153.12744	7.8
155.14322	1.4
157.10138	6.5
159.08002	0.7
163.11145	0.6
165.12773	2.6
169.12190	0.7
171.13765	0.7
175.11176	8.3
179.03496	0.6
181.04919	1.5
181.12253	0.9
193.12238	28.9
194.12711	0.9
195.02945	0.9
197.04335	0.7
199.13306	5.4
205.04948	0.6
209.04480	1.3
211.13289	18.4
219.10211	1.1
229.14413	1.0
233.04379	0.7
251.05420	0.8
263.05542	1.2
267.15909	9.9
275.05591	1.5
285.16959	100.0
286.17273	3.1
429.21130	1.9
482.27731	0.8
483.22433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.6
55.67622	1.6
57.03439	10.8
61.02939	2.1
67.05511	6.8
69.03437	14.3
69.07072	4.5
69.34677	7.4
71.01351	3.2
73.02914	8.9
75.56262	1.3
78.61281	1.4
79.05495	1.7
81.03431	1.7
81.07074	4.5
85.02907	27.7
87.04485	2.1
91.05491	5.7
93.07049	57.8
93.75121	1.6
95.04972	1.8
95.08603	13.6
97.02908	16.2
97.06523	4.9
105.07034	2.0
107.08603	22.2
109.02879	3.5
109.10158	73.8
115.03947	8.6
117.06989	1.2
125.13249	1.8
127.03927	8.5
133.04948	11.7
133.10201	1.3
135.11696	100.0
136.11996	1.8
137.06026	3.2
145.04985	10.2
151.03870	1.5
153.01822	16.0
153.02946	2.0
153.12744	73.2
154.02167	7.3
163.03876	1.6
163.06033	6.7
169.04912	2.2
177.12779	1.9
179.17146	1.5
206.05312	2.4
216.03896	1.4
223.06171	1.6
234.04858	2.3
249.14951	2.7
251.05701	1.4
259.08209	3.0
263.05484	3.2
264.05893	4.9
267.15851	3.9
279.15903	2.6
285.16989	2.2
295.10193	3.2
297.17014	25.9
315.18057	5.1
320.99557	1.3
483.15692	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	13.0
57.75989	1.1
59.04998	2.7
67.05511	5.8
68.75336	1.3
69.03431	38.3
69.07078	3.0
70.10744	3.2
71.04996	1.4
72.99998	1.5
73.02891	1.2
79.05496	2.9
81.03426	3.7
81.07075	3.5
85.02901	36.3
87.04464	32.1
91.03954	1.2
91.05495	4.8
93.06450	2.9
93.07043	59.8
95.04965	2.0
95.08596	11.9
97.02263	2.0
97.02891	38.3
97.03493	2.6
97.06545	2.0
105.07050	1.5
107.08588	19.8
109.02895	3.0
109.06470	1.4
109.10155	94.0
115.03931	52.9
119.08578	1.8
125.13235	1.9
127.03925	5.9
133.03946	2.4
133.04962	52.3
135.11690	100.0
142.42920	1.5
143.88072	1.2
145.04935	8.4
150.07629	6.8
151.11125	1.7
152.51611	1.5
153.12743	53.8
159.41933	1.2
161.04456	1.3
163.05998	3.8
169.04997	1.6
169.12242	4.0
177.12761	2.5
192.52293	1.4
223.06259	1.6
233.24760	1.2
238.72011	1.3
241.07028	3.0
249.14778	2.6
259.08170	4.5
267.15869	16.9
277.09125	3.8
279.15765	2.2
285.16913	5.0
295.10278	9.5
297.16946	28.0
315.18231	3.5
488.29553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.0
67.05501	9.4
69.03428	39.9
69.07059	9.3
69.41281	6.0
69.41662	7.6
79.05488	6.9
81.07061	11.5
85.02914	29.4
87.04476	29.5
87.69547	2.8
91.05489	7.0
93.07034	24.8
95.08610	25.7
97.02899	30.4
105.07011	3.6
107.08596	34.6
109.10158	100.0
115.03928	34.3
119.08580	4.0
121.10119	5.8
123.11736	3.4
127.03923	5.4
133.04984	40.5
133.10199	5.7
135.10649	5.2
135.11697	97.8
137.06015	4.4
144.36847	3.5
145.04953	7.5
153.12775	27.7
171.13818	16.0
196.57413	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	23.2
59.04999	2.4
60.04536	2.3
61.02922	3.8
64.63494	2.2
67.05505	8.0
68.36218	2.4
69.03064	4.6
69.03428	77.4
69.37777	2.0
69.62313	11.3
71.04986	3.9
73.02920	10.4
77.42424	2.2
79.05496	8.2
81.03421	3.2
81.07051	9.0
83.04987	4.6
85.02902	74.4
87.04473	45.8
91.05492	2.4
93.07044	22.8
95.04916	4.1
95.08606	9.1
95.66931	2.1
97.02893	62.0
97.06549	2.5
99.04455	4.2
104.90205	2.6
107.05280	2.3
107.07921	4.4
107.08592	39.9
109.02884	5.8
109.10143	17.5
115.03931	90.0
127.03910	15.3
133.03952	5.2
133.04961	100.0
135.10649	3.5
135.11687	66.6
137.05949	3.1
145.04938	25.3
150.07603	12.5
153.01868	5.7
153.12743	92.3
155.07065	3.7
163.06058	13.8
168.60390	2.6
169.05057	3.1
205.04745	2.8
241.07039	4.8
259.08136	13.6
271.11862	3.7
295.10278	10.7
333.19061	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01867	4.1
55.05499	4.5
55.37513	1.3
57.03426	2.5
57.07072	11.0
59.04991	4.1
61.02918	3.6
66.16352	1.3
67.05508	1.7
68.99802	1.4
69.03426	19.6
69.07063	46.3
69.30061	3.9
69.30449	2.4
71.04980	5.8
71.08630	10.0
73.02918	4.3
73.06552	11.8
81.03414	17.9
81.07041	1.5
83.08617	1.9
85.02898	51.0
85.10178	4.8
87.00828	21.9
88.55424	1.5
89.06020	26.2
91.03959	1.5
97.02886	31.3
99.04462	7.3
99.11755	1.5
105.01861	35.7
109.02868	16.4
109.10139	2.2
111.11713	76.1
117.01833	3.3
127.03917	40.2
127.11179	1.5
128.86345	1.3
129.12746	100.0
133.10129	2.1
145.04941	21.8
159.02892	6.3
170.15520	1.9
199.16916	15.6
213.03874	2.6
217.17986	18.0
217.75629	1.5
231.04941	12.2
249.06055	5.1
258.61691	1.6
259.41846	1.5
359.16891	2.6
423.74796	1.6
468.33572	1.6
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
53.03941	4.7
55.01858	3.5
55.05519	6.9
57.03454	2.7
57.07072	12.6
59.04991	2.9
61.02917	4.1
61.39998	1.1
69.03430	15.2
69.07067	52.1
69.54288	4.4
71.04974	6.6
71.08641	8.8
73.02905	4.8
73.06563	9.2
77.37086	1.2
81.03413	15.1
81.07042	1.5
83.08643	2.1
85.02907	42.5
85.03418	2.9
85.10193	2.8
85.10666	1.2
87.00829	22.8
89.05529	2.1
89.06032	26.6
97.02894	31.1
98.22746	1.7
99.04448	6.2
105.01867	32.3
105.07057	1.3
109.02874	14.8
109.10168	1.3
111.11719	80.8
115.03954	1.7
117.01881	1.7
127.03915	36.6
129.12753	100.0
130.13075	1.1
145.04961	18.4
147.02931	1.5
152.54265	1.5
159.02901	8.3
182.36690	1.2
199.16942	21.4
199.18628	2.4
213.03932	3.2
217.17992	20.4
231.04976	13.5
249.06065	4.1
261.41489	1.1
359.17065	2.2
422.14658	1.3
468.64407	1.4
482.27420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32406	0.4
55.05506	1.7
55.96545	0.4
57.03436	4.2
59.04993	2.2
67.05499	0.8
69.03430	15.3
69.07050	1.4
69.12380	1.6
69.12787	1.7
69.73071	0.5
71.04990	10.8
73.02914	1.4
73.06547	2.8
79.05474	2.7
80.61696	0.5
81.03387	1.0
81.07057	13.8
83.08620	0.5
85.02911	11.3
85.06564	0.5
87.04469	11.3
91.05476	1.1
93.07042	10.2
95.04948	0.5
95.08611	1.6
97.02890	15.5
97.06542	0.8
98.23460	1.0
98.50549	0.5
107.08596	7.7
109.02846	0.6
109.10149	1.7
115.03931	23.5
127.03918	2.1
131.08514	0.5
133.04968	25.5
135.11694	16.1
135.12550	0.3
135.12752	0.6
145.04956	3.3
153.12743	100.0
154.13089	2.0
163.05984	0.8
169.04945	0.7
171.13754	0.9
193.62457	0.5
223.06099	0.6
241.07091	1.4
246.25288	0.5
259.08051	2.5
277.09180	1.4
295.10168	3.2
315.47092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73786	0.6
55.01854	1.1
55.05508	2.2
57.03441	10.6
57.07069	2.2
58.92686	0.6
59.04996	4.6
61.02921	1.7
61.92992	0.6
67.05501	2.2
69.03432	37.0
69.07069	10.7
69.38960	3.1
71.01336	0.8
71.04628	1.1
71.04993	13.7
73.02906	2.8
73.06569	1.9
79.05508	3.8
79.05888	0.6
80.73367	0.7
81.03412	2.9
81.07061	13.9
83.04989	1.0
83.08606	3.3
85.02908	30.8
87.04469	23.5
91.05489	2.9
93.07044	15.5
95.04957	2.9
95.08608	6.0
97.02899	31.1
97.06519	2.3
97.52819	0.7
99.04448	2.3
103.03942	1.9
105.04542	1.0
105.07023	4.2
107.07921	1.1
107.08596	12.8
107.22015	0.7
109.02876	2.0
109.06515	4.8
109.10162	5.3
111.04453	1.2
111.08060	0.7
115.03934	37.0
117.07003	0.7
119.08588	7.2
121.06490	1.6
121.10140	2.7
123.04424	0.7
123.08099	1.1
123.11730	0.7
125.13251	4.9
127.03930	5.4
131.04933	0.7
131.08572	2.0
133.04965	40.2
133.10159	1.5
135.11688	20.8
137.02347	16.1
137.03357	1.1
137.13269	2.1
139.03804	0.7
139.11252	1.3
143.08563	1.5
145.04964	5.6
145.10110	1.6
147.04445	0.8
147.08025	2.0
147.11690	1.5
149.09663	0.9
151.11151	1.2
153.12743	100.0
154.13048	1.5
159.04465	0.9
159.08061	1.4
159.11682	1.9
161.09613	1.5
162.03342	0.8
163.06035	1.4
163.11209	1.6
165.12746	5.4
169.04887	1.1
171.11691	0.8
171.13826	1.8
173.09587	2.1
175.03946	0.8
175.06020	0.7
177.05457	0.6
177.12755	2.2
179.03334	1.1
179.10698	0.8
191.03369	2.7
191.10690	0.7
193.04956	0.8
195.02829	1.4
195.13828	2.8
197.04329	0.8
205.04968	1.2
205.06969	0.7
207.02840	0.7
207.13850	2.5
213.12822	0.8
218.61266	0.8
219.13791	2.0
221.68448	0.6
223.06013	1.6
231.13817	2.4
233.04425	3.3
241.07082	1.5
245.04430	0.8
247.06081	1.7
249.14862	3.5
251.05496	3.2
259.08151	4.4
261.14847	2.3
263.05527	6.0
267.16000	3.7
267.18463	0.7
275.05463	1.6
277.09167	1.4
279.15927	1.6
285.16953	6.6
293.06442	0.9
295.10239	4.3
297.16907	3.9
311.07510	2.1
315.18033	10.1
333.18909	2.0
488.29498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
57.03436	4.9
59.04991	2.1
61.02918	2.1
65.25456	0.5
67.05504	0.8
69.03427	8.2
69.07067	1.8
70.69556	0.9
71.01349	0.9
71.04987	9.9
73.02536	0.9
73.02917	10.1
73.06544	3.2
79.05490	2.6
81.03416	1.2
81.07053	14.8
85.02905	10.2
87.04472	2.2
91.05487	1.7
93.07033	10.4
95.08607	2.9
97.02890	11.2
97.06539	1.2
98.23351	0.5
107.08587	7.3
109.02897	1.0
109.10168	1.8
115.03922	8.9
127.03916	3.5
127.71832	0.6
133.04965	4.8
135.11685	16.5
145.04971	2.9
153.12735	100.0
154.13091	1.1
163.05984	1.5
171.13824	1.2
223.06114	0.7
241.07054	1.1
259.08307	2.7
267.16171	0.7
295.10199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01866	1.9
55.05511	1.7
57.03437	9.6
59.05006	0.5
61.02935	0.6
69.03442	1.7
69.07073	1.8
69.32578	1.8
71.01360	0.8
71.04993	73.4
72.05334	0.5
73.02917	3.5
75.04475	4.8
81.03413	1.0
83.04985	8.5
85.02905	100.0
86.03229	0.7
86.06072	0.4
87.04476	2.1
88.38846	0.4
97.02390	0.4
97.02898	3.2
98.23478	0.6
99.04461	1.9
101.06006	0.8
103.03948	1.4
106.17478	0.3
109.02859	0.6
110.06039	0.5
111.04448	6.2
121.02867	0.9
127.03922	4.0
129.05478	49.5
130.05797	0.7
139.11180	4.5
142.36632	0.3
144.06540	0.7
145.04956	2.2
146.08125	1.1
147.06525	24.6
157.12244	2.7
162.07639	1.1
163.06004	0.6
164.09193	4.5
165.07582	0.5
180.08667	1.3
207.06535	0.4
225.07451	0.4
237.07498	0.4
255.08585	1.7
267.15826	1.1
273.09717	1.1
285.16931	2.5
301.16495	0.8
309.11780	0.9
326.14359	1.0
337.06119	0.4
364.59720	0.4
483.17871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22412	2.5
55.01879	2.5
55.31644	2.4
57.03440	29.2
61.02916	9.5
62.69007	2.3
69.03426	41.1
69.69656	3.0
70.37664	5.1
70.37997	3.0
71.01357	4.0
73.02914	48.4
81.03416	8.9
85.02902	100.0
85.03417	5.4
87.04469	7.2
91.03956	3.6
91.18616	2.6
97.02892	50.3
99.04459	4.0
109.02898	8.1
115.03931	41.6
127.03899	31.8
133.04965	16.9
135.11717	9.6
140.44440	2.5
145.04955	54.9
150.07642	2.9
162.76826	3.0
163.06000	24.8
182.38130	2.7
184.03935	2.5
209.73314	2.9
223.05937	5.1
231.04868	2.8
235.16898	3.8
241.07071	2.9
259.08151	3.7
295.10245	5.2
333.22662	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.114
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.13017	0.6
52.79414	0.5
53.03951	1.1
55.01869	0.8
57.03432	0.9
61.11998	0.5
65.03946	0.5
67.05499	0.8
69.03422	1.7
70.06600	0.6
71.04985	0.9
71.44357	0.6
79.05495	1.6
81.03416	8.6
81.07060	1.0
83.04983	0.9
83.08630	0.7
85.02906	5.8
91.05480	1.0
93.07056	1.2
95.04967	1.6
95.08598	0.7
97.02901	1.4
98.09652	0.6
103.03938	1.4
105.07009	0.6
107.01321	0.6
107.04930	0.9
109.02874	1.3
110.07216	0.5
111.04456	1.4
111.08050	0.6
113.22917	0.6
114.09251	0.5
119.04953	0.6
119.08617	0.8
121.02895	0.7
121.10144	0.9
127.03945	2.4
129.06982	0.6
131.04971	0.6
131.08586	0.7
135.11681	1.0
137.02350	100.0
137.03445	8.7
137.05927	1.3
138.02747	1.0
138.06352	0.5
145.02834	0.5
145.04849	0.6
147.04436	0.5
149.02322	0.8
150.03140	2.0
151.03937	1.1
153.01820	2.6
153.05457	1.1
155.02281	0.9
155.03424	1.2
159.04407	1.2
166.02643	1.0
175.03957	0.9
176.04613	0.6
177.01852	3.1
177.05447	0.7
178.02551	0.5
179.03352	0.9
180.00618	0.6
181.04958	12.9
187.03943	1.2
191.03423	1.5
193.05009	1.1
193.12225	2.4
194.02042	3.7
195.02832	6.5
197.04488	1.6
205.04898	1.6
209.04445	31.0
210.04779	0.8
215.03380	1.0
219.06532	1.3
221.04485	1.6
233.04439	1.7
235.05650	0.6
239.05463	4.3
247.06061	2.0
251.05618	3.0
263.05493	2.0
265.06100	0.5
267.15933	1.6
267.19772	0.7
275.05453	4.2
285.16995	2.5
285.20395	0.7
286.17294	1.1
293.06583	3.2
321.12933	0.5
331.10089	1.5
386.47269	0.6
409.92822	0.5
422.15344	0.6
423.14209	0.7
447.09210	0.8
455.43066	0.5
465.10248	1.0
480.02957	0.6
483.14520	8.7
483.21558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.5
57.03396	0.2
63.72556	0.2
69.03403	0.3
69.47820	0.5
69.48211	0.3
71.04985	1.1
73.02906	0.5
77.18591	0.2
79.05480	0.3
81.07050	0.7
85.02901	1.4
93.07040	0.4
95.08585	0.4
97.02876	0.5
98.94931	0.2
107.08569	0.4
116.48671	0.2
119.08582	0.2
127.03960	0.2
137.06003	0.4
145.04941	0.3
151.03880	0.4
153.01802	0.9
153.12697	0.2
154.02126	0.2
175.03647	1.1
185.04225	1.0
215.14148	0.3
219.01640	0.2
243.08534	1.4
261.09985	0.4
288.74609	0.2
320.12173	0.8
321.12982	0.6
331.10007	8.1
337.09009	1.5
360.99951	0.3
387.13159	1.3
451.12262	0.3
483.14560	100.0
484.14896	3.0
502.66669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64915	0.8
70.77000	1.4
71.04973	0.7
87.09348	0.7
91.62881	0.7
114.05460	0.8
137.02347	0.8
151.03844	0.7
175.02179	1.3
175.03662	22.9
185.04211	0.9
191.08440	3.0
215.82265	0.8
219.17451	0.8
285.16034	0.8
303.13608	1.1
331.09976	100.0
332.10214	2.3
399.56949	0.8
483.14697	92.3
484.14856	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	483.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38787	0.5
81.07062	0.8
86.09702	0.8
91.05532	0.8
91.33688	0.7
93.07052	1.1
95.08611	0.7
98.23528	1.0
105.07011	0.9
108.65953	0.6
109.84005	0.5
119.08560	0.6
121.10152	0.6
127.00039	5.2
133.10104	1.1
145.10103	0.6
159.11734	1.2
187.15007	0.7
217.15977	1.8
231.13673	2.3
235.16873	0.6
249.14621	0.8
275.12534	6.4
291.15692	5.6
293.13632	2.6
299.31845	0.6
335.14618	22.6
336.14777	0.9
353.15552	0.9
379.13663	14.1
395.16675	4.2
397.14502	3.6
439.15726	20.2
439.21848	1.1
440.16266	1.1
483.14725	100.0
484.15149	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	483.1837
Annotation	Trp Asp Tyr
Peak:m/z	Relative Intensity
55.89640	0.2
69.03417	0.2
70.50518	0.2
70.50838	0.3
73.02928	0.4
79.13727	0.2
80.39880	0.2
81.07037	0.2
85.02883	0.3
107.08604	0.3
116.24178	0.2
133.10149	0.4
145.10081	0.2
155.03261	0.2
165.49773	0.2
173.09647	0.3
185.04263	0.7
186.21361	0.2
187.14870	0.4
215.14386	0.3
217.15935	0.4
229.06871	0.8
235.16939	0.4
317.08420	25.3
318.08737	0.3
483.18329	100.0
484.18716	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	483.184
Annotation	Trp Asp Tyr
Peak:m/z	Relative Intensity
55.01872	0.4
56.40119	0.3
57.03434	0.9
59.04990	0.2
59.56009	0.3
61.02924	0.3
67.05505	0.4
69.03439	1.8
69.07070	0.9
69.33464	1.7
71.04980	0.4
73.02924	1.0
79.05493	0.4
80.45448	0.3
81.07054	1.1
83.05019	0.3
85.02906	2.8
87.04470	0.7
91.05488	0.8
93.07064	1.2
94.07373	0.3
95.08617	1.0
97.02904	2.3
105.07027	0.4
107.04934	0.3
107.08584	1.2
109.02868	0.4
109.10168	1.7
110.10474	0.5
114.98631	0.3
115.03925	1.8
116.04217	0.4
119.08572	0.7
127.03936	0.8
133.04953	1.6
133.10136	0.4
135.11717	1.9
136.04854	0.3
136.12048	0.5
137.06007	0.4
145.04958	0.5
145.10085	0.3
151.03912	0.6
153.01834	0.4
153.12747	4.1
154.13062	2.4
191.10773	0.3
260.08539	0.3
279.10782	0.4
285.20508	0.3
297.12094	0.4
317.08484	1.1
320.12228	1.8
321.13095	1.1
350.63031	0.3
351.14133	1.2
483.18393	100.0
484.18790	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	483.184
Annotation	6-O-(4-Methoxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
67.05461	1.2
71.04983	4.9
76.96443	1.1
83.08632	2.5
85.02902	8.3
86.03288	1.5
91.05476	1.6
92.54673	1.5
95.04941	1.3
99.03342	1.3
100.11233	8.6
112.79794	1.2
119.08512	1.5
121.10104	1.5
127.03924	2.5
129.05495	2.6
130.17986	1.2
131.25482	1.3
133.10207	1.8
137.05960	1.3
147.06561	1.6
184.16920	1.8
185.04257	1.5
195.24168	1.3
204.62593	1.3
206.71014	1.4
210.14862	2.4
217.15823	2.5
235.17023	3.1
249.43138	1.3
291.08334	5.0
306.10645	4.8
307.19159	1.4
311.23193	2.1
320.92978	1.3
321.13058	78.6
322.13504	1.8
339.33722	1.4
361.71970	1.4
453.13626	5.5
468.15863	1.4
483.18307	100.0
483.38843	4.2
484.18671	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	483.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64706	1.1
69.87529	1.1
78.75076	1.3
81.07059	1.7
93.07034	1.6
107.08564	2.2
110.00391	1.3
119.04034	1.1
119.08530	1.9
121.06504	1.3
133.10106	1.8
137.05971	1.1
199.14740	1.6
201.16621	1.3
217.15820	2.4
224.83479	1.2
235.16899	1.8
397.21646	2.2
423.22293	2.5
439.22879	4.6
483.21902	100.0
484.22574	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	483.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27315	0.1
52.61397	0.1
67.05505	0.3
69.03419	0.2
69.07066	0.3
69.45061	0.1
71.04990	0.3
71.43549	0.2
79.05495	0.3
80.13716	0.1
81.03408	0.2
81.07047	0.6
83.04978	0.2
83.08592	0.2
85.02889	0.7
87.00826	0.3
90.20900	0.1
91.05475	0.3
93.07057	0.7
95.04987	0.2
95.08591	0.6
97.02895	0.3
97.10152	0.2
99.08099	0.2
105.01854	0.4
105.07030	0.3
107.08581	0.8
109.10140	0.3
111.08061	0.2
114.10340	0.2
119.08594	0.3
121.10144	0.7
126.05727	0.2
127.03924	0.3
131.82404	0.2
133.10005	0.1
135.11691	0.3
143.01927	0.2
145.04967	0.2
159.11674	0.4
161.02992	0.3
173.13336	0.2
175.07666	0.1
185.04205	0.6
197.59721	0.2
199.16933	0.2
200.17268	0.4
201.09004	0.2
203.05302	0.5
217.15987	0.3
227.05254	1.3
231.05043	0.2
235.16737	1.2
238.24947	0.2
245.06340	1.0
259.07913	0.2
271.04315	0.6
277.17712	0.2
289.05252	2.6
321.16870	0.2
379.20831	0.5
397.21979	3.2
421.21841	1.3
439.22992	8.1
440.23404	0.4
465.20984	2.1
483.21994	100.0
484.22357	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	483.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01861	2.7
55.05508	1.5
57.03447	1.6
58.42855	1.2
61.02925	2.0
67.05492	4.9
69.03429	9.9
69.07075	2.0
71.04976	2.5
73.02908	1.3
76.05470	1.2
77.77767	1.1
79.05502	3.6
81.03413	8.9
81.07059	8.2
81.07483	1.6
82.29737	1.1
82.99235	1.2
83.05001	1.4
83.08630	1.3
85.02911	19.8
86.03249	1.7
87.00835	7.2
91.05491	4.2
93.07041	6.4
95.04964	2.2
95.08599	6.3
97.02887	5.4
97.06540	3.3
97.10129	1.7
99.04456	2.8
105.01884	4.1
105.07033	11.2
105.59731	1.1
107.08588	7.8
109.02877	7.7
109.06513	2.8
109.10143	2.1
111.08072	10.3
115.05349	1.3
117.06992	1.7
119.08587	9.5
121.06535	1.8
121.10139	4.5
123.08089	5.4
127.03933	14.7
129.05484	1.6
131.08583	2.5
133.10132	5.6
135.08051	2.7
135.11694	1.8
137.05917	1.5
142.07809	2.1
143.08554	3.2
145.04944	3.4
145.10117	4.5
147.11700	3.2
149.09624	2.2
153.01886	1.1
157.10138	3.3
159.02914	3.4
159.11693	3.9
161.09644	4.3
161.13322	1.5
163.11139	1.5
173.13348	2.3
175.11226	2.5
177.12743	8.0
189.12791	2.5
199.14818	6.1
217.15863	9.2
222.87543	1.2
231.05072	2.2
235.16925	100.0
236.17271	3.0
303.22797	1.3
400.53839	1.5
439.23053	4.6
483.21780	32.5
484.21939	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81521	2.4
55.01881	2.4
57.03434	9.1
59.04987	2.8
61.02924	3.7
64.47217	2.2
67.05498	10.1
68.73087	2.4
69.03423	23.0
69.07060	9.1
69.22498	2.3
69.28409	5.6
69.28806	9.9
73.02907	7.0
73.73207	2.6
79.05489	10.8
80.56461	2.4
81.03407	2.6
81.07052	16.8
85.02899	26.0
87.04462	12.7
91.05476	5.7
92.69678	2.4
93.07048	25.9
95.04967	2.6
95.08605	19.5
95.53166	2.2
97.02898	14.8
97.06518	3.6
107.08593	30.9
108.08978	2.2
109.02877	3.0
109.10152	100.0
110.10480	2.9
111.11730	5.1
113.02200	2.3
115.03934	17.0
119.08553	3.2
127.03913	6.1
128.53673	2.3
133.04962	15.8
135.11682	93.1
136.12047	5.8
137.13181	2.9
145.04918	6.3
145.10092	3.4
151.07564	2.5
153.12720	27.8
171.13799	17.2
185.04245	5.3
196.69919	2.4
225.52635	2.7
238.95210	2.4
258.80157	2.4
259.08090	2.8
277.08997	2.6
295.10208	3.6
483.14401	61.2
484.15024	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22948	1.2
55.05513	3.3
57.03437	7.7
57.07085	1.7
59.05005	3.0
67.05512	2.7
69.03431	18.2
69.07063	10.1
71.04990	22.7
71.63696	1.2
73.06559	5.4
76.10163	1.1
79.05486	8.5
79.39404	1.2
81.07057	25.5
83.04988	2.0
83.08640	2.2
85.02906	18.7
85.06548	8.4
87.04472	12.7
91.05476	2.9
93.07052	23.3
95.04942	1.1
95.08624	6.5
97.02891	15.7
97.06531	32.1
97.07118	2.4
99.04420	1.3
103.03857	1.2
105.07030	1.9
107.08586	18.0
107.09248	1.4
109.02895	1.8
109.06495	1.6
109.10155	14.2
115.03925	15.7
123.11723	13.0
126.13503	1.7
127.03944	1.7
127.05760	1.8
127.11188	10.0
133.04980	12.7
135.11694	35.8
137.02299	2.6
139.03911	5.6
141.12743	42.8
145.04999	2.7
153.01816	1.4
153.12747	80.8
154.13071	1.5
168.91971	1.4
169.06772	2.6
171.13805	100.0
172.14233	1.8
175.03688	5.2
187.07922	3.3
189.14859	89.4
190.15262	1.9
201.43347	1.2
205.05153	1.3
214.83992	1.2
241.07657	1.2
243.86328	1.1
267.69467	1.2
295.10284	1.5
313.11130	1.3
331.09814	28.1
333.19046	2.0
334.14105	1.1
339.25363	1.6
351.20074	9.6
378.45566	1.5
399.65558	1.3
483.15027	24.0
484.14371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89560	0.6
55.01858	0.9
55.05270	1.7
55.05514	20.5
55.61016	0.7
57.03214	0.7
57.03438	7.4
57.07076	7.9
63.49326	0.7
65.36379	0.7
67.05495	3.7
69.07072	26.1
71.08627	6.1
79.05481	2.6
81.07068	4.7
83.08621	19.5
85.10192	2.1
93.07031	2.1
95.08594	2.5
97.06508	1.8
97.10170	12.8
98.98474	8.3
101.91913	0.7
107.08594	2.1
109.10179	1.0
111.08046	1.2
111.11720	3.1
121.10151	2.8
135.11684	2.4
151.60750	0.8
155.01056	2.6
163.07562	0.9
163.14809	1.0
203.21484	0.8
237.22186	1.0
311.25793	100.0
312.26096	4.0
327.32077	0.8
349.24237	0.8
447.24997	2.5
483.27072	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60017	2.3
53.03936	4.0
54.85464	1.7
55.05518	4.5
60.64602	1.7
65.03946	3.4
67.05503	11.0
69.07056	4.0
69.24893	2.5
69.25302	9.2
72.04513	2.4
74.24866	1.8
79.05486	7.8
81.07059	11.0
83.08628	2.6
84.97643	2.0
89.06039	7.7
91.05466	7.5
93.07064	3.5
95.04957	4.1
95.08610	7.8
97.06522	5.3
98.23458	2.8
105.07026	3.4
107.04979	9.7
107.08549	2.4
109.06490	3.7
109.10162	3.5
110.03640	3.3
111.04420	4.6
117.06985	4.4
119.04992	1.8
119.08620	2.4
121.06499	7.9
123.04434	6.3
125.05994	73.9
129.06978	4.1
131.30740	1.8
133.06499	9.1
133.08580	4.5
135.08084	3.6
137.05975	69.7
139.03874	4.2
139.07579	8.6
145.06416	3.7
145.10063	2.1
147.04362	2.0
147.08051	8.2
148.05142	1.9
149.09599	5.0
149.51016	1.8
149.59801	1.8
151.07538	43.8
153.05463	100.0
160.05205	2.9
160.45909	1.7
161.05945	5.6
163.07549	42.1
165.09102	4.3
167.07037	15.7
175.07533	8.1
176.08403	2.0
177.09108	78.9
178.09537	2.5
179.07036	18.4
189.09006	3.1
191.10670	23.4
193.08615	28.7
203.10683	3.4
205.12149	1.8
207.10167	4.6
247.25171	1.9
283.17542	5.1
284.17905	3.5
331.26086	2.7
343.26202	2.7
387.21295	2.1
451.28406	4.2
465.29944	12.8
483.31357	35.2
484.31259	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	483.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01869	0.7
55.05511	3.7
57.07073	0.7
65.03942	3.1
67.01849	0.7
67.05506	7.3
67.37508	0.4
68.99796	1.6
69.03435	1.2
69.07074	2.4
69.22235	0.9
69.22650	1.3
77.03938	1.2
79.05488	6.5
81.03424	0.4
81.06567	0.4
81.07049	7.8
82.04187	1.4
83.04978	0.9
83.08614	1.2
89.06030	0.7
91.05480	5.8
91.62386	0.4
93.03401	1.0
93.07059	2.4
93.40062	0.4
94.04204	0.5
95.04967	4.2
95.08608	6.7
97.06537	4.9
97.10170	0.8
100.20907	0.5
103.05460	3.5
105.03407	0.9
105.04501	1.6
105.07006	2.4
107.04951	8.9
107.08574	0.8
108.05739	0.6
109.06507	3.3
109.10157	2.3
110.03668	2.3
111.04449	3.6
115.05454	2.5
117.07016	3.0
118.04202	0.7
119.04939	0.8
119.08577	1.2
120.05767	0.5
120.08121	2.0
121.06500	9.1
121.10091	0.4
123.04424	7.2
123.08060	2.4
123.11714	0.5
124.05219	0.9
125.05988	84.7
126.06303	0.8
129.07004	1.4
131.04938	1.6
131.08537	0.8
132.05730	0.5
133.06477	7.6
133.57155	0.4
135.04448	0.6
135.05548	0.7
135.08035	2.9
136.05182	0.4
136.69470	0.5
137.05974	66.3
138.06342	1.0
139.03897	5.9
139.07545	3.1
141.05424	0.9
143.08543	0.4
144.05655	0.4
145.06514	2.2
146.07274	0.5
147.04407	1.5
147.08044	5.8
148.05194	0.6
149.05994	2.2
149.07045	0.6
149.09604	3.5
151.07541	33.9
152.04646	0.7
152.07962	0.5
153.05464	100.0
154.05878	1.2
157.10143	0.4
159.08153	0.8
160.05220	1.2
161.05948	5.7
161.09636	0.9
162.06770	2.1
163.07539	39.6
164.07941	0.7
165.05484	1.6
165.09142	1.1
167.07059	3.0
173.05937	0.5
174.06790	0.9
175.07527	7.8
175.11089	0.6
176.08310	1.0
177.09102	66.1
178.09488	0.6
179.07027	13.5
179.10699	0.4
187.07600	0.5
189.09105	2.2
191.10664	10.9
193.08603	24.2
194.08968	0.5
203.10570	1.9
205.12283	1.4
207.10156	1.9
217.12222	1.5
219.13750	0.6
231.13847	0.9
235.16855	0.4
242.05681	0.6
243.06491	0.5
257.08127	2.0
271.09650	1.4
275.09042	0.7
283.09616	0.6
284.17871	0.5
289.10724	0.6
297.11218	0.4
299.12830	0.5
331.26291	1.2
343.26392	2.6
369.20743	0.6
383.22363	0.6
387.21780	1.4
401.23367	1.3
410.30426	0.4
423.28815	0.6
433.27365	0.9
437.30630	0.4
451.28561	3.6
455.31442	0.7
465.29974	9.5
483.31030	28.7
483.37457	1.3
484.31412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3109
Annotation	Zhankuic Acid A Methyl Ester
Peak:m/z	Relative Intensity
55.05497	2.2
57.07071	2.5
65.03918	0.8
67.05505	5.0
67.15789	0.8
68.99812	0.8
69.07064	1.0
71.08617	2.8
79.05484	3.2
81.07056	6.4
83.01334	1.4
85.10188	1.2
89.06026	9.5
91.05462	1.9
93.07063	1.4
95.04972	3.0
95.08606	3.7
96.05714	1.2
105.07040	1.0
107.04933	1.8
109.06521	2.5
109.10132	1.4
111.08057	2.5
117.07000	0.7
119.08560	0.9
121.06533	2.2
123.04432	21.1
123.11674	0.9
124.05209	4.5
125.05997	4.8
128.50926	0.7
129.06999	1.3
131.08574	1.4
133.08582	3.9
133.10268	0.7
134.08896	0.9
135.08090	2.2
137.05974	27.0
139.07541	57.3
140.07849	0.9
147.08026	1.0
149.05984	8.0
151.07539	4.0
153.05472	9.0
157.06511	1.0
159.08060	1.0
161.05977	2.0
161.09612	1.1
163.07542	21.7
167.07040	100.0
168.07436	1.8
175.07533	2.6
177.09119	7.9
177.11226	1.6
179.07060	1.3
181.08586	1.0
189.09113	2.0
190.07405	0.8
191.10640	2.2
193.08574	6.3
203.10661	1.1
207.10156	8.3
217.12196	1.0
221.11528	1.0
233.43723	0.7
283.17480	3.4
284.17844	2.0
329.24600	1.1
341.44754	0.8
436.37881	0.8
451.28299	2.3
465.29947	2.1
483.23746	1.0
483.31155	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	483.3445
Annotation	Oncostemonol E
Peak:m/z	Relative Intensity
55.05493	0.8
57.07065	1.3
69.34695	2.6
82.33356	0.6
89.06028	6.9
90.06361	0.9
95.08594	0.7
98.23524	0.6
111.51995	0.7
116.82460	0.7
133.08626	2.2
134.08968	1.4
159.77544	0.6
177.11246	1.3
182.31810	0.7
205.25647	0.7
207.10306	0.9
214.23784	0.7
231.42473	0.7
275.42068	0.7
283.17587	1.8
284.17905	1.6
342.69635	0.7
357.29495	0.7
466.38031	0.7
483.34473	100.0
484.34894	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	483.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50402	13.5
69.12337	100.0
76.23406	14.6
153.05426	22.1
254.57860	15.6
282.51385	17.4
316.83093	16.4
318.38724	14.9
336.58774	15.1
387.41400	15.1
414.06445	16.5
465.37167	20.3
483.38174	47.9
484.47183	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	484.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01865	1.6
55.05507	1.2
57.03423	1.6
58.31755	0.5
61.02918	1.4
62.50494	0.5
67.05516	3.8
69.03431	6.2
69.07066	2.7
69.77694	1.8
70.06590	1.0
71.04983	1.1
73.02900	1.5
73.06541	0.7
74.22827	0.6
79.05502	1.0
80.80466	0.5
81.03403	3.1
81.07076	2.7
83.04972	0.9
83.08596	0.7
83.47083	0.6
85.02901	13.0
86.09722	1.3
87.00828	9.0
87.04499	0.7
91.05488	9.6
93.07059	6.5
95.08598	10.8
97.02898	20.7
98.22701	0.7
98.97594	2.4
99.04422	1.8
101.02386	4.4
104.10723	0.9
105.01881	4.8
105.07048	0.9
107.08552	1.1
109.02886	2.3
109.06545	0.6
109.10161	6.6
115.07536	1.2
116.07137	0.7
116.98640	1.5
117.06977	0.7
119.08582	31.8
119.83234	0.5
121.10162	0.6
123.08141	0.6
125.00056	0.6
125.09630	8.0
127.03919	4.0
127.11205	1.0
129.06987	1.0
137.02367	5.0
137.05940	0.9
137.09616	33.7
143.10677	1.8
145.04968	2.2
147.08101	3.6
153.01830	0.7
155.10670	3.6
158.99641	0.6
159.02988	0.7
165.09117	5.8
169.12251	2.1
183.10136	5.0
184.07339	1.7
184.69923	0.6
201.03967	7.5
201.11223	100.0
202.11537	2.8
219.05092	2.8
219.12279	25.3
269.13849	0.8
287.14822	2.4
305.15790	1.0
323.11481	1.3
345.08163	1.1
360.99887	0.6
425.14825	1.7
484.21506	1.2
485.10413	1.0
485.16690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.7
55.99886	0.8
57.03434	4.6
57.07069	3.5
59.05002	1.4
67.05506	8.0
69.03426	16.8
69.07071	4.6
69.28123	5.0
71.05006	1.1
73.02902	1.2
79.05492	7.6
81.03419	2.9
81.07053	100.0
82.07393	2.3
83.04964	1.5
83.08629	5.5
85.02904	15.9
87.04459	11.8
91.05458	2.0
93.07040	3.3
95.04978	1.2
95.08604	30.2
96.08925	0.9
97.02888	16.6
98.22653	1.7
99.04462	2.4
100.11250	25.7
101.34399	1.0
105.07039	2.5
105.09901	1.0
107.08583	1.6
109.02860	2.1
109.10164	2.5
110.06021	1.0
111.04475	4.6
115.03927	25.5
121.10166	1.4
123.11721	1.1
125.09637	1.2
127.03896	5.9
128.07076	2.3
133.04953	30.3
134.05392	1.1
135.11719	1.2
137.02327	9.2
137.05963	11.9
137.13246	52.9
138.02797	1.0
138.13554	1.1
139.08687	1.5
140.07025	1.1
145.04903	4.5
145.10098	1.1
147.04459	1.4
149.13303	0.9
151.03883	2.9
154.13023	1.0
155.14294	4.0
159.11711	1.0
161.13295	1.2
163.06079	1.6
165.12758	1.2
182.15401	7.3
192.03758	1.4
195.02855	1.3
203.03516	1.0
205.05034	1.5
209.04370	1.1
209.16502	11.7
210.14900	8.8
218.05194	0.9
223.06099	1.2
226.19194	3.7
233.04442	1.6
233.15067	1.0
234.04630	1.3
235.05086	1.1
243.15785	1.6
251.05411	1.2
252.06114	1.4
253.06094	1.6
255.08826	1.1
259.08136	3.3
263.05563	1.8
265.06030	2.7
269.17383	1.9
277.09189	1.2
295.07175	1.8
295.10153	7.7
326.28024	2.2
336.22729	1.2
435.33469	5.1
445.39417	1.0
453.34348	49.4
484.22495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
56.05019	0.4
57.07076	11.0
58.06577	0.6
64.60983	0.4
67.05505	1.1
69.07073	2.1
70.06596	11.3
71.08630	6.3
73.02924	0.6
73.59726	0.4
77.32612	0.4
81.07056	2.1
83.08623	1.7
85.10178	2.6
88.07633	16.0
89.06009	0.4
93.44948	0.4
95.08604	2.2
97.10165	0.9
100.50816	0.4
102.09180	12.4
106.08675	0.8
109.10160	0.8
131.24892	0.5
200.20096	26.3
201.20493	0.5
218.21278	1.7
219.65446	0.4
228.23222	21.4
246.24350	1.8
255.23273	1.9
256.26453	1.2
281.21622	0.5
283.26312	20.6
284.26682	0.6
311.29419	25.0
312.29810	0.8
318.66290	0.6
349.07767	0.5
389.30475	0.4
484.47256	100.0
485.47452	4.7
507.15146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1057
Annotation	rostratin C
Peak:m/z	Relative Intensity
56.96572	1.4
57.03438	1.5
69.03416	1.8
70.70354	1.6
73.02917	1.6
81.07071	3.9
85.02905	2.4
95.08577	1.6
97.02924	1.7
98.97599	3.8
105.24633	0.8
110.97573	1.5
115.03883	2.5
117.34808	0.9
137.13283	2.9
143.00151	1.9
155.63376	0.9
158.99696	3.0
167.03404	4.3
219.01810	3.3
295.10275	1.4
411.28455	1.1
476.39169	0.9
485.10565	100.0
486.10910	3.7
506.03839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1631
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
55.83173	0.3
56.96539	0.3
70.63846	0.3
73.02898	0.3
81.07056	0.7
85.02903	0.6
91.05464	0.6
97.10151	0.2
98.97592	2.0
116.98650	0.5
121.06484	0.7
133.39297	0.4
146.06004	0.4
263.09406	1.1
281.10754	0.5
304.93768	0.3
323.11133	4.0
341.12619	0.4
347.09546	0.3
363.08887	0.6
365.12903	0.4
425.14786	1.9
485.16229	100.0
486.16614	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	485.1995
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.05495	0.4
57.80253	0.3
63.23158	0.3
66.15787	0.3
67.05482	0.6
67.47185	0.3
69.03409	0.6
69.37907	1.7
79.05515	0.5
81.03400	1.0
81.07043	1.3
85.02898	1.2
87.00841	0.6
93.07091	0.6
95.04956	0.5
95.08602	0.7
97.02868	0.5
98.97570	0.5
105.01856	0.5
105.07022	0.6
109.02892	0.4
109.10189	0.5
119.08553	0.4
127.03894	0.6
130.06563	0.6
133.10120	0.5
145.04980	0.4
145.10107	0.5
159.11629	0.7
161.13246	0.7
181.05005	1.2
190.08658	0.5
201.16403	0.7
203.05186	0.8
219.13710	0.4
219.17458	0.7
243.15802	0.6
244.16301	0.7
249.11072	2.1
259.07913	1.2
262.17325	0.4
270.07813	0.5
288.18372	0.4
305.13431	0.5
323.06970	0.4
323.11133	0.6
323.14682	6.7
323.18439	0.3
326.09918	0.4
344.11343	0.4
397.94940	0.4
457.20660	0.5
485.19870	100.0
486.20218	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	485.1998
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.05503	0.9
58.18399	0.7
69.03408	1.3
71.10344	0.9
79.05491	1.0
81.03422	0.8
81.07057	1.6
83.04969	1.5
84.90430	0.6
85.02888	2.6
93.07051	1.7
95.08571	1.2
97.02901	0.8
99.50323	0.8
105.07065	1.0
107.04932	1.1
109.02880	1.0
119.08569	1.3
121.10159	0.8
123.04418	0.7
137.02316	1.9
137.05956	1.1
139.03905	1.4
145.10165	0.8
151.03894	3.2
152.04263	0.9
159.11694	0.8
163.03870	1.0
163.07579	0.9
175.10948	0.7
181.04947	3.5
181.29106	0.7
191.10635	4.8
196.07278	2.1
201.03755	1.0
201.16353	1.4
237.18565	0.9
277.10535	2.4
323.10953	7.5
333.07907	28.9
335.09409	3.1
353.15637	1.5
455.11703	0.8
485.20505	100.0
486.20651	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	485.1998
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.01851	2.0
57.03440	9.8
57.58179	1.1
61.02901	3.0
67.05495	2.1
69.03429	13.2
69.27968	3.2
73.02917	22.2
79.05486	2.6
81.03420	3.1
81.07047	1.3
85.02903	15.6
87.00818	2.4
87.04441	1.8
91.05451	1.9
93.07009	2.9
95.08595	3.0
97.02888	12.7
99.04452	1.9
105.01845	3.8
105.07024	5.5
107.08577	2.3
109.02850	3.2
109.10141	1.8
115.03941	8.2
117.07052	1.8
117.66305	1.0
119.08556	2.7
121.06504	3.7
123.04411	1.4
127.03883	6.3
128.06183	2.4
129.06976	2.9
131.08540	4.6
133.04980	1.5
133.10149	1.2
135.08055	1.5
137.05980	5.1
138.06750	1.5
142.07753	1.7
143.08586	2.3
145.04910	3.5
145.06454	2.4
145.10127	3.4
151.07532	3.5
157.06491	1.4
157.10080	1.3
158.07227	3.0
159.08014	2.7
159.11661	1.7
161.03891	1.0
161.05978	4.3
161.13174	2.3
162.06729	2.1
163.07503	3.7
171.08073	1.4
172.08847	5.4
173.05954	4.2
174.06775	1.6
175.07512	2.0
176.08369	2.4
177.09129	1.5
187.07368	1.4
188.08290	9.7
190.96002	1.1
191.07051	1.6
191.10640	26.3
194.73340	1.2
196.68561	1.1
201.09081	3.1
201.16370	3.2
202.09547	1.6
203.10675	37.1
215.10675	9.5
219.17433	2.5
221.11650	4.9
227.10649	3.2
229.06726	1.4
231.10164	1.2
233.11722	4.4
237.18372	2.0
245.11693	4.6
257.11649	4.6
262.48328	1.1
270.78665	1.2
273.97971	1.2
287.12643	2.8
317.08435	28.6
317.13797	2.0
485.19708	100.0
486.20203	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	485.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05511	4.8
57.07069	1.4
65.03933	2.6
67.05502	8.4
68.99807	1.4
69.03426	1.0
69.07066	2.6
69.48089	2.3
69.48504	3.7
72.58887	1.0
77.03925	1.8
77.67076	1.2
79.05515	5.8
79.05892	1.0
81.07050	8.7
82.04217	1.5
83.08599	1.4
90.62707	1.2
91.05502	6.9
93.07048	4.0
95.04974	5.8
95.08618	5.0
97.06541	3.8
98.45347	1.0
103.05488	2.5
105.04506	1.4
105.07056	3.8
107.04990	5.3
109.06514	3.7
109.10162	1.5
110.03675	1.2
111.04448	3.0
113.85593	1.1
115.05418	1.6
117.07037	2.7
121.06515	11.6
122.03661	8.2
123.04440	9.0
123.07981	1.2
124.86502	1.3
125.05991	72.4
131.04909	1.6
133.06488	2.7
133.10197	1.4
135.08066	2.6
137.05986	14.3
139.03886	5.9
139.07553	4.7
145.06502	3.5
146.07253	1.7
147.04478	1.7
147.08060	2.8
149.05957	9.2
149.09647	2.6
149.13277	1.3
151.05087	1.3
151.07547	32.2
153.05467	100.0
155.07007	15.7
159.08095	1.6
161.05992	4.5
162.06874	1.6
163.07542	36.3
163.14795	1.2
165.05478	49.3
165.09117	2.9
167.07060	4.3
175.07611	2.7
176.08237	1.4
177.09108	49.4
179.07071	5.0
181.08607	1.2
189.09131	5.1
191.07007	2.1
191.10663	6.7
193.08661	4.8
203.10641	2.8
205.12213	11.7
215.10701	1.3
217.12186	6.7
219.13771	3.0
221.18755	1.2
231.13817	2.5
247.16885	1.3
251.24530	1.1
315.19708	1.6
315.23138	1.9
327.23282	2.0
333.24155	5.3
345.24231	2.6
417.24060	1.4
435.25275	4.6
449.26770	4.1
453.26361	18.0
467.21432	1.3
467.27963	19.6
485.28876	12.9
485.34921	1.4
486.29263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2897
Annotation	Zafaral
Peak:m/z	Relative Intensity
53.03939	1.4
55.01873	2.2
55.05490	3.0
57.07072	1.8
63.11982	1.3
65.03942	1.3
67.05504	7.9
68.99783	4.1
69.07071	4.2
79.05490	4.9
81.07061	11.9
83.08610	2.0
91.05482	3.9
91.72550	1.3
93.07021	2.9
95.04951	7.8
95.08582	6.3
97.06509	1.8
103.05452	2.5
105.07041	1.7
107.04955	5.3
109.06517	5.4
109.10198	1.7
110.03637	1.6
113.08226	1.2
115.05459	1.2
121.06514	5.9
123.04420	96.0
123.07998	1.5
125.05978	38.1
126.03118	3.7
135.08080	2.2
137.05975	51.0
139.03894	2.6
141.05460	5.4
145.06529	2.5
149.05968	55.8
149.09628	1.4
151.05029	1.5
151.07527	7.3
153.05453	72.6
161.05952	3.5
163.07524	40.1
167.06989	1.5
168.04152	1.5
175.07585	5.2
177.09090	22.8
179.07019	2.0
189.09056	2.8
191.06963	1.4
191.10623	1.9
196.14072	1.4
217.12207	1.4
243.06654	2.9
245.08133	2.8
257.08188	1.4
259.09427	1.6
271.09610	1.9
303.23312	1.5
343.82385	1.4
393.24142	1.9
411.25345	8.9
423.24933	1.9
425.26807	17.5
426.27197	1.6
441.33002	1.6
443.27896	100.0
444.28302	4.7
448.11633	1.3
449.26926	1.7
467.27905	78.1
468.28360	4.7
484.47131	2.6
485.28665	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	485.2884
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.78240	0.8
53.03940	1.3
55.01874	1.1
55.05499	2.7
56.45212	0.8
57.03435	2.8
57.07074	10.8
65.03914	1.9
67.05500	5.1
69.07057	3.9
71.08637	7.2
79.05492	2.7
81.07061	4.4
83.08622	1.9
85.10172	4.4
85.93914	0.9
91.05481	14.7
93.07053	1.2
95.04967	4.5
95.08599	3.3
97.10169	2.0
98.98454	2.4
103.05452	1.8
105.04527	1.7
105.07011	6.5
107.04909	1.3
107.08581	1.6
109.06508	1.2
109.10175	2.5
119.04916	1.0
121.05626	1.4
121.06505	30.3
123.04404	4.4
123.08083	1.3
123.11667	1.5
125.05978	1.4
126.03096	1.0
133.06461	1.3
133.10144	1.4
133.22398	0.9
135.08055	3.8
137.05957	3.3
139.03897	5.6
139.07536	6.5
141.05452	4.4
146.07291	1.4
147.08076	1.9
149.02315	1.2
149.07121	1.8
151.07541	100.0
152.07959	1.3
153.05489	2.4
153.09138	2.4
156.04141	1.6
163.03972	2.1
163.07550	3.5
164.08043	1.0
165.09123	16.8
165.80058	0.8
167.03407	2.5
167.06996	1.1
168.04263	1.4
169.04948	14.4
169.06291	1.5
171.06548	2.9
175.07466	1.0
176.08366	1.1
177.05609	1.1
177.09114	21.4
177.10577	1.7
179.07037	1.1
189.09116	1.9
191.10654	10.6
193.08691	1.7
203.10716	2.6
205.08513	1.0
207.10086	1.6
313.27368	37.7
389.09082	1.1
435.25308	2.0
453.26321	5.0
457.29648	0.9
467.28098	2.5
479.08356	1.1
484.47238	2.5
485.28952	48.7
485.47650	1.2
486.29279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
57.03440	8.8
57.07078	32.8
67.05505	5.7
69.07066	5.0
69.25806	4.3
71.08632	21.3
81.07059	7.6
83.08625	5.9
85.10177	11.8
89.06036	3.7
93.07041	1.7
93.73264	0.9
95.08612	11.5
97.10162	3.3
97.38300	0.7
97.91848	0.7
98.23435	1.6
98.98454	5.9
99.11707	1.0
109.10150	4.7
121.06506	1.7
123.11745	1.2
132.07088	0.7
133.08603	0.9
155.01079	2.8
171.66045	0.8
184.12210	0.8
222.46855	0.8
239.23749	2.1
257.24756	1.8
260.57196	0.8
291.23117	0.8
313.27365	100.0
314.27774	3.1
449.26608	2.3
485.28632	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	485.2902
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.67860	1.3
53.03940	2.0
55.05512	3.0
57.07079	1.6
65.03944	1.9
67.05498	6.4
68.99801	1.5
69.07053	3.3
69.36767	2.3
69.37163	3.3
73.48734	1.2
79.05482	4.9
81.07064	4.9
91.05483	9.2
93.07047	4.9
95.04971	5.3
95.08610	3.5
98.23428	2.6
98.62773	1.4
103.05488	1.7
105.04522	1.9
105.07007	3.9
107.04952	6.6
108.05753	1.4
109.06554	1.8
109.10137	1.7
111.04372	1.8
115.05413	3.3
117.07092	1.8
121.06502	16.8
123.04441	7.4
123.08062	3.4
125.05984	11.5
133.06477	8.6
135.04478	1.4
135.05568	1.5
135.08067	5.8
137.05998	20.1
139.03929	6.3
139.07539	4.4
140.25089	1.2
141.05475	4.0
145.06505	2.3
147.04422	1.6
147.08075	4.0
149.06006	2.5
149.07080	2.2
149.09654	2.1
150.68005	1.2
151.07549	100.0
152.04713	8.9
153.05469	15.5
159.08063	1.6
161.05997	7.3
161.09557	1.8
162.06752	10.3
163.07561	32.7
165.09126	16.2
167.03410	5.6
167.07062	8.0
168.04192	54.0
169.04984	9.8
174.06789	2.6
175.07567	8.0
176.08275	3.6
177.05452	2.0
177.09113	26.8
178.06253	1.8
179.07004	3.0
183.06487	4.9
187.07550	3.6
189.09129	5.4
191.10660	9.3
193.08612	40.4
194.08955	1.8
203.10548	3.3
205.08598	1.4
207.10188	7.2
221.11887	1.2
287.09213	1.3
425.27066	1.8
435.25507	3.7
453.26361	22.5
467.28375	7.9
485.28931	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68607	0.4
55.05501	1.2
57.07069	1.7
63.91134	0.4
65.03941	1.0
67.05502	1.3
69.03436	0.6
69.07062	0.9
71.42674	0.5
78.04722	0.6
79.05479	1.9
81.03426	0.7
81.07066	2.2
83.08623	0.7
85.02914	0.8
85.06545	1.4
87.04465	1.3
91.05480	44.9
92.05818	0.7
93.07040	1.1
95.04951	0.6
95.08609	0.8
103.05500	0.8
104.06255	3.9
105.07027	10.8
109.06497	0.5
111.04482	0.6
111.08082	1.6
117.06995	0.6
119.08608	0.4
123.08087	0.9
125.05952	0.8
126.55883	0.4
127.07537	0.8
133.10126	100.0
134.10445	2.4
137.05986	1.0
147.08031	3.4
149.09601	3.2
151.07564	1.3
153.05455	0.7
153.09120	1.3
165.09166	0.5
171.10194	1.9
177.09193	0.5
187.03661	6.3
187.05186	0.6
189.11201	0.8
208.35728	0.4
262.14551	0.4
299.94989	0.4
321.27652	18.5
322.28101	1.0
371.29333	1.9
388.52231	0.5
460.40771	0.4
485.32355	23.4
485.47336	1.0
486.32742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03789	0.2
51.44385	0.2
53.03934	0.6
54.77530	0.3
55.01859	0.5
55.05513	2.6
57.06823	0.5
57.07074	5.2
58.06593	0.4
58.07393	0.6
58.95420	0.2
65.03928	0.7
67.05501	3.1
69.02364	0.2
69.07061	2.3
69.34115	0.2
69.65352	0.4
69.65713	0.5
70.06591	3.4
71.06915	0.3
71.08621	2.2
73.02899	0.3
77.03907	0.6
79.05486	3.9
81.03417	0.5
81.07052	2.9
83.01332	1.0
83.04992	0.5
83.08595	1.2
85.10164	1.1
86.40309	0.2
88.07124	0.4
88.07629	4.8
89.07958	0.5
91.05474	7.9
93.07049	3.5
94.04174	0.5
95.04974	2.7
95.08603	2.4
96.05737	1.7
97.06518	0.5
97.10164	0.5
98.22779	0.5
102.09167	3.0
103.05444	0.6
103.09492	0.4
105.03405	0.3
105.04506	1.0
105.07023	1.9
107.04955	3.4
107.08574	0.8
108.05759	1.3
109.06509	2.8
109.10174	0.7
111.08084	3.1
115.05437	0.8
117.07010	1.5
119.04943	0.6
119.08577	0.7
121.06505	8.5
123.04424	1.1
123.08080	2.6
124.05207	7.1
125.05991	6.6
129.07004	0.5
131.08594	0.9
133.06471	0.7
135.04361	0.5
135.08044	5.5
136.05231	1.4
137.05975	10.4
137.09590	0.5
138.06749	3.9
139.07533	67.1
140.04677	0.9
140.07906	0.8
145.06528	1.8
146.11386	0.2
147.08037	1.6
148.05162	0.4
149.06032	0.3
149.07109	0.8
149.09615	1.0
151.07535	71.0
152.07881	1.3
153.05460	12.5
153.09085	5.6
155.06938	1.2
159.08035	1.3
160.08775	0.3
161.06001	1.2
161.09633	0.8
162.06712	0.8
163.07532	4.3
163.08847	0.4
163.11206	0.4
165.06752	0.5
165.09108	13.5
166.06319	0.4
167.07028	100.0
168.07390	1.5
175.07523	1.8
177.09108	13.6
178.09526	0.2
179.07059	0.9
181.08583	2.7
189.09137	0.5
191.10648	6.9
192.11017	0.3
193.08636	1.3
205.12241	0.9
228.23213	8.8
228.25488	0.5
229.23553	3.3
246.24348	0.6
251.88878	0.3
255.23186	0.7
256.26410	0.4
283.26291	7.9
284.26596	4.7
285.11124	0.3
301.21600	0.4
319.26349	0.7
331.26358	2.8
361.70743	0.3
390.79111	0.3
435.29001	0.4
453.29977	11.5
454.30536	0.7
467.31705	3.5
484.47223	8.5
485.32611	14.4
485.47531	13.6
486.33078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	3-Keto-24-epi-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
52.70599	0.7
53.03936	0.8
55.01861	1.2
55.05515	4.5
55.46273	0.6
57.07076	4.2
58.07381	0.6
59.09467	0.6
65.03949	3.7
67.05495	5.6
68.99769	1.6
69.03412	1.2
69.07063	5.6
69.48761	1.9
70.06570	2.1
71.08611	2.1
77.03923	1.4
79.05493	7.0
80.52502	0.6
81.03389	0.7
81.07039	4.9
82.04190	2.0
83.04957	1.6
83.08604	2.8
85.02914	0.7
85.10171	1.3
88.07629	2.9
88.84283	0.5
91.05474	4.8
93.03405	1.0
93.07026	2.2
94.04196	0.9
95.04974	5.9
95.08617	3.6
97.06535	6.6
97.10159	1.0
102.09164	1.9
103.05457	1.2
105.04508	1.5
105.07021	5.4
107.04948	8.6
107.08596	0.8
109.06508	3.6
109.10103	0.7
110.03668	3.2
111.04445	8.1
115.05461	0.9
117.07011	2.1
119.04879	0.6
119.08603	1.1
121.06501	6.5
123.04440	9.2
123.08067	1.4
124.05204	2.6
125.05987	93.3
125.36341	0.7
126.06313	0.9
131.08524	1.0
133.06505	2.6
133.10190	0.6
135.08043	2.6
137.05975	62.1
139.03897	10.5
139.07547	8.0
141.05438	1.3
145.06482	1.2
145.10135	1.2
147.04443	0.9
147.08032	1.1
149.05972	4.8
149.09586	1.5
151.05014	1.4
151.07532	18.6
151.08745	1.0
152.04721	0.7
153.05461	100.0
154.05788	0.9
157.10046	0.8
161.05984	1.7
163.07544	18.4
167.07118	3.0
173.09613	0.9
177.09103	15.0
179.07018	1.7
183.11699	0.8
191.10712	1.2
200.20073	2.3
201.09238	0.7
201.20467	1.4
209.13272	0.6
213.12733	1.0
227.06973	1.1
228.23247	2.6
229.23520	1.6
241.08522	0.8
242.05461	0.9
243.06465	0.9
257.08118	3.0
259.09683	2.3
271.09659	1.0
273.11243	1.4
275.09113	1.3
281.06393	0.7
283.26340	2.5
284.26697	1.5
299.12790	1.3
311.29538	2.1
312.29636	1.6
321.25046	0.7
333.27869	1.7
345.27869	3.1
393.31387	0.7
421.31088	1.0
435.28860	1.6
439.32047	1.5
453.29913	9.7
457.32916	0.8
467.31537	20.5
468.32455	1.3
484.47366	6.2
485.32626	52.1
485.47375	13.9
486.32635	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	485.3264
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
55.05516	4.9
57.07085	4.9
61.90778	1.6
67.05529	1.9
69.07069	5.4
72.70667	1.8
79.05508	6.5
81.07073	5.1
81.23855	1.8
83.05045	2.5
83.08631	2.2
87.04485	2.8
91.05477	32.3
95.08617	3.1
95.88677	1.9
104.06287	3.0
105.04505	1.6
105.07070	7.8
107.04989	8.2
109.06535	3.1
111.91650	1.8
121.06532	3.3
123.04456	4.3
123.08099	2.8
125.06020	9.0
133.10126	71.8
135.08090	3.4
137.05969	100.0
139.03923	1.7
139.07542	15.4
146.65984	1.8
147.08086	2.9
151.07552	16.3
153.05527	1.8
163.07545	13.1
166.12335	1.8
167.07069	2.4
175.07549	2.3
177.09196	8.0
248.02536	1.7
264.19275	2.0
343.18945	2.0
347.25885	2.5
415.70874	2.2
425.86246	1.9
426.94962	1.8
485.32874	83.5
486.33490	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	485.3265
Annotation	3-Keto-24-epi-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
52.82303	0.4
53.03925	0.5
55.05518	2.4
57.07058	1.3
62.13749	0.4
65.03944	0.6
67.05485	3.0
69.07060	1.7
69.15263	0.4
70.62699	0.7
79.05489	2.4
81.07054	4.1
83.01339	1.3
83.08601	1.5
91.05474	3.1
91.24586	0.5
93.07047	1.3
95.04947	0.6
95.08601	1.7
107.04948	1.3
109.06519	3.4
109.10140	0.7
111.08044	0.5
117.06995	0.7
119.04965	0.6
121.06506	9.6
123.04418	0.7
124.05302	0.5
125.06000	6.9
131.08530	0.6
135.08032	1.4
137.05975	100.0
138.06325	1.5
139.07547	5.2
147.08040	1.1
147.63307	0.4
149.05962	1.0
151.03920	0.5
151.07584	2.6
161.05994	1.4
163.07536	8.7
167.07076	1.1
175.07573	1.8
177.09119	4.0
191.10608	1.3
203.10529	0.6
211.62340	0.5
217.12294	0.5
219.10027	0.4
241.08835	0.6
291.23175	0.8
319.26471	0.6
347.25848	1.3
467.31454	1.5
485.32629	82.8
486.32993	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	485.3263
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
53.88952	1.4
54.74084	1.3
55.05526	6.2
57.07067	5.7
61.26059	1.1
67.05502	8.1
69.07078	6.7
71.08660	1.7
77.44243	1.2
79.05492	5.5
81.07053	4.5
83.08625	4.9
87.04464	15.5
91.05490	5.0
92.65789	1.1
93.07057	2.5
95.04964	3.9
95.08617	6.2
97.10184	2.9
98.23344	1.3
102.53249	1.4
103.05495	1.5
104.19336	1.2
107.04937	8.7
107.08595	1.9
111.04484	1.8
121.06492	8.0
123.04429	84.3
123.08096	3.3
124.05248	5.9
125.06004	11.4
135.08075	2.0
137.05975	20.8
139.07536	27.4
149.05984	8.5
151.07544	82.0
152.07910	1.6
153.05510	2.7
161.05943	6.5
163.07578	5.5
165.09068	2.1
175.07614	2.0
177.09116	2.9
181.55728	1.3
189.09109	2.6
191.10706	2.9
198.92567	1.5
202.31969	1.2
313.27426	4.8
361.27551	3.9
365.10526	1.2
373.25873	1.4
443.31583	4.5
485.32690	100.0
486.33212	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	486.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10056	0.5
53.03927	1.2
55.01855	1.1
55.05500	1.6
57.03429	1.1
58.02300	0.6
58.27228	0.6
61.02942	0.9
62.95413	0.5
65.03938	0.5
67.05492	1.7
68.99776	0.7
69.03429	10.8
69.47094	1.1
69.47481	1.2
71.04981	0.7
73.02900	1.1
79.05489	2.2
81.03416	5.4
85.02909	9.6
87.00822	3.8
91.05476	1.9
93.06953	0.7
95.04972	1.3
97.02883	4.0
98.22662	1.0
99.04429	1.4
105.00694	0.5
105.01850	4.0
105.07018	0.7
107.08598	0.7
108.05698	0.6
109.02874	4.9
109.06512	2.0
115.05437	1.5
116.66001	0.5
117.07009	1.7
119.08555	1.0
121.06496	4.7
127.03927	5.1
128.06212	5.4
129.01782	0.6
129.07005	3.0
130.07770	0.6
131.04892	1.2
131.08549	0.8
137.05978	3.6
138.06755	6.0
141.06984	1.2
142.07811	0.7
143.04962	0.5
143.08543	1.6
145.04962	2.3
145.06493	7.2
146.07306	0.9
147.04364	0.8
147.11742	0.5
151.07530	6.2
155.07077	0.7
156.05693	0.7
157.06473	5.3
158.07245	3.3
159.02876	2.0
159.08064	2.8
160.08858	1.3
161.05997	8.9
162.06812	0.7
163.07568	1.7
165.05516	3.2
171.08040	1.4
172.07359	0.7
172.08830	11.5
173.05986	11.7
173.09537	1.3
175.07547	5.6
175.11018	0.8
177.09009	0.7
186.10370	0.7
187.07558	3.5
188.06599	1.4
188.08315	24.7
189.08977	2.1
191.07034	2.6
191.10696	1.3
193.08427	0.6
202.09843	1.0
203.10661	100.0
204.10951	2.6
205.12292	0.8
215.10683	1.4
217.12219	1.5
219.10179	0.9
221.11711	18.0
227.10603	1.4
231.04945	2.0
231.10176	2.0
233.11739	1.7
241.12271	0.8
242.14574	0.5
243.10042	1.7
245.11708	8.4
255.10150	0.7
257.11737	1.5
269.11728	1.2
283.13190	1.2
287.12698	1.6
289.10684	1.5
311.12689	2.3
329.13721	1.6
433.15036	0.9
486.20135	1.2
487.21191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30944	1.1
51.98338	0.9
54.42696	1.0
55.05511	7.9
57.03428	2.7
57.07077	1.2
58.99590	15.2
67.05502	30.4
69.03425	2.0
69.07068	6.8
71.04975	1.8
73.01115	1.4
76.02226	57.0
76.04012	2.4
79.05495	8.9
81.07053	31.0
83.04996	1.7
83.06109	3.3
83.08621	4.7
84.04501	22.6
85.01144	1.4
85.02900	2.4
86.99062	4.5
87.00851	1.3
87.02694	1.2
88.02230	2.7
91.05466	7.2
91.55687	1.3
93.07042	10.3
95.04962	5.4
95.08604	44.4
96.08102	1.1
97.02873	1.1
97.06517	2.3
99.05611	2.2
105.01871	1.3
105.07025	11.3
107.08587	7.5
109.02895	1.1
109.06513	3.9
109.10154	25.9
111.08083	1.0
112.03985	1.2
113.04227	1.7
116.01680	22.0
116.52156	1.0
117.07021	1.5
117.28095	1.2
119.08585	11.3
121.06527	2.1
121.10146	4.8
123.08030	5.4
127.03902	2.2
129.06549	5.4
130.04988	8.3
130.06873	2.5
130.08632	2.1
133.10136	4.6
134.09659	1.6
135.11679	2.2
137.09619	2.9
139.05840	1.7
141.04800	1.5
142.03244	7.2
144.01131	12.6
145.04997	1.2
145.06026	2.0
147.08080	1.4
147.11780	1.8
147.16568	1.4
149.13342	1.3
151.14810	18.8
157.10301	1.2
161.13260	11.4
162.02188	41.0
170.02773	3.0
174.13748	1.1
175.14644	1.0
176.14294	1.3
179.04851	100.0
179.14297	41.9
179.15924	1.8
183.23537	1.2
187.05363	2.8
203.17917	1.8
216.06871	1.2
218.45554	1.3
219.17349	1.6
220.17751	2.2
233.05927	14.1
233.09560	2.2
236.14668	1.3
237.13092	2.4
245.05998	3.3
254.15613	1.7
291.06400	2.4
308.09070	14.9
324.58774	1.2
339.17392	12.3
357.18265	2.3
393.18399	1.8
411.19431	19.3
412.19510	1.2
468.21286	5.6
486.23264	9.0
487.20557	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	486.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01880	0.7
55.05505	3.1
57.03434	5.5
67.05512	2.0
69.03428	9.9
69.28623	1.3
69.29011	1.2
70.38531	0.5
71.04992	0.9
73.02903	0.9
73.06559	1.5
75.04478	8.8
77.03925	1.3
77.83430	0.5
79.05491	17.4
79.05949	0.9
81.03418	8.6
81.07064	5.3
83.04982	0.7
84.48240	0.6
85.02898	6.8
87.04479	0.9
91.05474	14.3
93.07043	96.5
94.07375	1.2
95.04969	5.9
95.08624	4.1
97.02889	6.8
97.06525	1.9
99.04466	1.3
103.05406	0.8
105.04521	2.6
105.07034	8.0
105.16137	0.6
107.04983	0.7
107.08591	17.4
109.02872	3.9
109.06518	0.9
111.04440	2.0
111.08079	6.4
117.06994	1.0
119.08580	13.4
120.08948	0.7
121.06515	1.7
121.10140	100.0
122.10476	1.4
123.08041	1.4
123.11701	2.4
125.05973	2.2
127.03935	4.5
129.05534	0.6
131.08568	4.7
133.07602	0.8
133.10162	1.3
139.03932	0.9
139.11208	5.6
145.04974	2.2
145.10143	1.5
147.07988	0.7
149.09616	16.9
151.07536	0.7
153.05470	16.3
157.10063	0.7
158.37082	0.6
161.05977	0.6
167.10670	31.0
173.09512	0.7
177.05504	1.9
179.07021	0.9
187.11285	0.8
191.07047	1.3
191.10689	1.2
193.08621	2.3
203.06934	0.9
207.06630	1.1
219.06561	1.1
225.50766	0.5
231.06535	3.7
233.08144	1.1
233.11699	1.1
245.11749	0.7
247.13361	0.6
249.07469	1.0
250.90857	0.6
260.94772	0.5
261.07541	0.8
261.14642	0.8
275.12729	0.7
289.14410	2.5
293.13828	6.3
311.14883	14.5
326.45337	0.6
329.15924	2.8
397.16830	0.9
433.18488	0.8
453.36838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09895	1.1
53.03949	1.8
55.05511	2.2
57.07063	1.9
60.03318	1.0
67.05510	8.9
69.03432	2.3
69.07063	5.1
70.53979	1.1
79.05491	16.9
81.03420	2.8
81.07053	11.2
83.08599	2.5
85.02909	7.6
87.00835	2.3
91.05483	24.8
93.07045	19.3
95.04987	2.3
95.08595	20.8
97.02882	3.5
97.10173	1.5
98.23533	2.0
99.04430	1.3
105.01851	3.2
105.07034	28.0
107.08594	79.8
109.02893	2.5
109.10156	21.6
119.05979	1.2
119.08582	26.2
120.91724	1.3
121.10148	27.7
121.12204	1.4
123.11694	9.0
127.03922	3.9
133.10133	41.8
135.11716	2.5
145.04955	3.1
145.10149	2.3
147.11682	71.8
148.12267	1.0
148.71771	1.2
159.11589	2.0
161.13254	10.6
175.14908	2.5
203.17950	100.0
204.18294	2.2
204.95425	1.1
231.04871	2.7
270.22510	1.1
326.31592	1.3
338.25201	1.2
362.42618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.9
53.03936	7.2
55.01862	3.8
55.05512	21.5
57.03434	2.9
57.07072	2.5
61.02929	2.6
65.03934	3.4
67.05167	3.4
67.05505	46.3
68.41194	1.8
69.03435	11.2
69.07062	14.2
71.21217	2.4
73.02901	3.1
77.03896	3.1
79.05042	2.9
79.05492	43.9
81.03436	9.7
81.07057	60.0
83.08617	9.1
85.02904	27.5
87.00844	8.6
91.04596	1.5
91.05479	66.8
93.07043	100.0
95.04988	10.4
95.08603	90.8
97.02882	13.2
97.10162	13.1
99.04441	3.9
103.05443	2.4
105.01884	11.2
105.04507	4.7
105.07024	90.1
107.08596	82.2
108.04458	1.8
109.02861	10.9
109.06527	2.6
109.10160	59.1
110.99188	1.6
117.01817	1.6
117.06996	4.6
119.08580	61.8
120.08949	1.7
121.09270	3.6
121.10140	65.7
123.11702	12.4
127.03902	22.4
131.08586	2.5
133.10127	58.4
135.11697	14.5
145.04945	12.5
145.10144	3.1
147.11682	94.3
149.13297	5.5
159.02853	9.1
161.13242	22.6
175.14828	12.7
182.61497	1.6
203.17952	97.2
204.18230	2.0
208.49294	1.7
224.48756	1.5
231.04993	7.4
249.06061	2.8
294.17175	1.6
409.23175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.0
56.92604	4.1
67.05506	29.4
69.07065	15.6
70.19050	8.4
79.05504	18.8
81.07059	76.1
81.07504	6.6
83.08643	4.6
85.02903	6.9
91.05511	24.5
93.07037	35.5
95.08606	66.8
97.02902	6.4
105.01862	6.5
105.07029	85.8
107.08591	43.6
109.10158	54.1
119.08582	100.0
121.10148	21.1
123.11712	24.1
127.03911	8.9
133.10124	52.7
135.11699	8.8
145.10095	6.4
147.11688	98.6
161.13280	43.8
175.14870	9.7
193.79973	4.3
203.17950	67.0
249.05681	4.5
269.17352	3.9
295.32239	3.9
508.58203	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	486.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
60.04014	0.7
65.03894	0.6
65.19394	0.6
67.05506	3.2
68.05050	0.7
69.07069	1.2
69.09647	5.0
72.06866	0.6
79.05502	1.8
80.41956	0.7
81.07056	2.7
91.05482	1.6
93.07046	1.3
94.06572	12.7
95.04975	2.9
95.08627	3.1
95.45553	0.6
96.04484	1.2
98.23452	1.4
99.74544	0.6
105.07066	0.8
107.04957	2.6
108.04488	0.7
108.92149	0.7
109.06516	0.8
110.06041	3.4
112.03963	1.4
117.07036	0.9
119.08571	0.6
121.06450	0.8
121.10135	0.8
122.06032	17.6
123.04436	5.9
124.03961	8.6
124.07591	1.5
125.04732	7.1
125.06033	1.1
126.05526	4.5
129.07033	0.8
131.08569	1.0
136.07558	1.7
137.05984	9.8
138.05505	6.3
139.06299	1.8
140.03455	1.7
140.07069	8.8
141.04489	0.7
141.05463	4.6
146.06030	0.8
148.03896	0.6
149.86104	0.6
150.05515	2.0
151.03914	7.8
151.07559	1.8
152.03453	4.7
152.07053	4.6
153.04198	1.5
155.05843	1.6
156.06535	1.0
160.07593	1.7
163.07521	10.3
164.07103	2.4
166.05095	0.9
167.05818	1.4
167.07111	0.7
168.06561	30.0
175.07607	1.4
176.07077	1.1
177.07845	0.9
177.09195	2.8
178.08617	3.3
180.06572	0.7
191.10712	1.1
192.10220	2.9
203.10667	1.1
306.24026	0.9
398.26859	1.6
426.26392	1.3
440.28345	1.0
454.26083	1.1
458.29236	8.7
468.27411	2.2
471.26141	0.9
486.28506	100.0
487.28799	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	486.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
57.07074	31.0
59.05000	5.1
64.89145	2.3
65.17945	2.4
65.20932	2.3
67.05505	3.9
67.35886	2.3
69.03418	4.4
69.07066	14.0
69.23013	12.1
73.06551	5.1
77.24390	2.1
83.08592	2.4
87.04469	83.3
89.06033	100.0
90.84531	2.0
91.05472	16.1
92.93871	2.4
93.07047	5.8
95.04939	2.3
95.08617	2.4
105.07015	7.0
107.04951	3.0
107.07139	2.5
107.08592	3.7
110.63040	2.2
111.11735	7.6
117.07021	9.1
119.04950	5.3
119.08564	12.0
121.06505	21.9
129.07042	2.4
131.04939	2.6
131.07043	15.2
131.08574	4.8
133.06493	19.3
133.08604	67.3
133.10089	3.1
135.08037	4.4
135.88928	2.3
145.06506	17.7
145.10130	3.5
147.08046	69.4
147.09171	4.9
148.08418	3.0
149.09624	4.3
159.08015	4.3
161.09612	40.4
163.07535	4.6
165.09196	6.6
173.09634	12.8
175.09654	7.2
175.11195	10.4
177.11217	24.2
187.11166	5.3
189.09357	2.5
189.12752	7.9
191.10646	14.2
205.12224	5.7
205.69160	2.4
219.13849	3.7
229.15884	6.9
231.17415	14.6
233.18932	5.5
235.13257	2.9
257.18942	5.3
275.20065	42.0
277.21616	4.4
279.15857	4.6
319.22601	13.5
359.20734	7.5
363.25391	5.7
381.26688	2.4
385.22165	3.3
391.99310	2.3
425.29163	3.3
469.14270	5.4
469.24875	4.4
469.31631	72.6
470.31650	3.9
486.34033	18.2
487.26794	4.9
487.33725	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	10.7
67.36595	1.2
69.35440	5.7
69.39824	1.2
76.06268	1.2
91.05500	1.4
98.97573	11.6
103.87672	1.2
116.98625	4.7
128.98598	2.5
134.99669	1.8
137.05988	2.5
139.03856	1.9
158.99641	2.0
179.03671	1.7
181.08594	2.0
195.32245	1.6
195.88197	1.3
198.99149	1.6
201.00734	2.2
219.03317	4.1
221.04909	3.2
223.02798	4.5
235.69238	1.2
237.04413	13.8
239.05934	5.7
247.02892	5.7
255.05408	6.6
263.02490	1.4
265.03836	27.7
266.03970	1.6
268.02582	2.1
281.03339	6.5
282.04196	1.6
283.04892	100.0
284.05206	2.0
286.03754	1.4
299.04236	2.1
301.05917	19.8
306.06482	2.9
307.04843	5.7
308.05588	1.5
325.06384	8.7
367.07001	2.0
381.08539	1.3
409.08130	3.7
427.09091	82.0
428.09320	3.7
445.10117	19.3
468.11649	2.0
487.16476	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1239
Annotation	Epigallocatechin 3-O-(3,5-di-O-methylgallate)
Peak:m/z	Relative Intensity
53.00296	0.5
65.03944	1.2
67.05487	0.6
69.41402	0.8
70.15515	0.2
81.07042	0.3
82.04182	0.4
85.02893	0.6
90.25928	0.2
93.03397	0.5
93.07037	0.3
95.04947	0.4
111.00810	0.5
111.04440	1.0
120.22960	0.3
121.02869	0.8
123.04390	1.6
138.03120	0.4
139.03899	47.3
140.04263	0.8
151.03909	5.1
153.05424	1.1
161.52371	0.3
163.03923	1.2
171.06541	0.7
181.04955	16.8
181.63435	0.2
182.05315	0.7
187.03899	0.4
203.05336	0.6
205.05016	1.5
236.01114	0.3
245.06343	0.3
247.05893	0.3
271.06046	0.4
275.07367	1.2
289.07114	2.2
306.46213	0.3
317.08411	0.6
329.46954	0.2
333.07721	1.1
335.09491	15.1
355.17252	4.8
355.72314	0.3
400.56601	0.3
487.21490	100.0
488.21817	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44007	0.4
69.37355	2.1
70.09901	0.4
75.88617	0.4
83.01116	0.7
84.01894	0.5
84.55209	0.4
95.01077	1.5
96.01888	1.0
96.33549	0.4
98.97590	3.5
112.01344	1.2
113.02151	3.2
116.98645	1.3
132.49832	0.5
139.03952	0.8
145.81683	0.5
157.04767	1.0
167.03171	0.6
168.73398	0.4
185.04243	4.7
201.03722	1.1
203.05328	1.6
205.04747	12.6
216.92036	0.4
233.07968	0.8
250.08141	10.4
251.08926	1.3
259.07892	3.3
276.11002	0.5
283.04822	0.7
290.15536	0.4
293.10025	1.5
307.01224	0.7
313.02402	0.6
325.02448	1.4
325.12634	0.7
343.03336	0.7
383.13226	1.5
411.12500	0.5
427.05402	1.0
432.53467	0.5
445.06805	0.5
457.16684	0.6
487.17886	100.0
488.18182	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	487.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99324	2.2
52.57596	2.1
55.01873	21.6
55.05514	8.5
57.03454	2.2
59.52687	2.1
67.05508	10.4
69.03416	5.7
69.33241	11.9
79.05499	21.6
81.03427	9.5
81.07053	12.3
83.04980	10.2
85.02898	11.5
91.05480	18.7
93.07043	11.2
95.01344	3.8
95.04968	14.7
95.08608	3.9
97.02909	7.5
98.97593	4.4
101.06004	12.4
103.05455	3.2
105.07024	12.1
107.04954	15.0
107.08606	9.0
109.02909	4.1
109.06533	7.8
111.04434	21.7
115.05489	8.2
117.07018	21.7
119.04948	5.8
119.08575	9.7
121.06516	23.4
123.04445	6.5
123.08070	9.0
125.05995	15.8
126.54688	2.0
126.60368	2.4
127.03873	2.8
129.05478	5.7
131.04953	4.8
133.06476	14.9
133.42833	2.3
135.03313	2.2
135.08054	70.9
137.06003	16.1
139.03937	6.3
140.83588	2.3
145.06490	18.0
147.04405	12.6
147.06604	2.4
147.08051	11.7
149.05957	19.7
151.07553	28.1
153.05475	4.9
153.09100	5.5
157.06366	2.5
161.05965	16.4
162.05493	3.1
162.06770	2.7
163.04015	6.0
163.07542	100.0
164.08350	7.3
165.05498	9.2
165.09100	2.6
173.05984	5.8
177.05341	3.5
179.07025	46.9
179.08452	4.2
181.05008	3.4
181.08615	47.0
185.09842	2.7
189.05424	8.6
190.05009	6.2
191.07025	44.0
191.08691	3.4
193.08604	3.5
197.08041	4.6
199.07596	2.6
205.04880	4.9
207.06523	22.8
209.08057	52.7
210.08516	2.2
213.09146	3.3
219.06541	4.4
225.07549	41.4
227.09123	6.1
233.44795	2.6
241.08690	4.9
241.12395	2.7
243.08611	22.7
245.08069	2.4
250.07779	2.9
259.09668	6.0
269.08041	4.7
269.11853	3.3
287.09018	10.6
305.10294	10.2
311.43063	2.3
315.12177	6.7
323.12088	4.9
337.13406	3.6
341.13477	4.5
343.11642	2.5
351.12341	7.5
369.13306	11.1
387.14291	18.8
397.12796	6.8
405.15390	27.6
415.13870	43.6
416.14462	3.2
423.16522	5.6
433.14957	47.2
434.15646	3.0
451.15921	26.7
469.17194	5.1
487.18195	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	487.1945
Annotation	Rutaevin
Peak:m/z	Relative Intensity
50.73602	0.8
67.05525	1.5
69.03419	0.9
69.77960	1.8
79.90453	0.9
81.07063	1.8
89.89639	0.8
91.05455	1.0
93.07068	1.4
95.05035	0.9
95.08603	1.5
98.22832	1.6
98.97609	2.2
100.12010	1.1
105.07028	1.2
107.04928	1.1
107.08616	1.4
121.10149	1.3
123.11677	1.5
137.05902	1.1
138.32039	0.8
139.03853	5.1
140.89966	0.9
143.00215	1.0
165.05490	5.4
165.96423	0.9
181.55936	1.1
182.05196	1.0
205.12242	1.3
221.11758	2.9
223.13263	1.7
259.44312	1.0
307.09729	1.0
325.10663	0.9
335.09192	1.0
352.81619	0.9
373.15372	2.8
460.24084	0.9
477.25369	1.1
487.19360	100.0
488.20035	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	487.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.0
57.03252	0.6
69.03416	1.3
69.55907	2.4
81.03397	0.8
81.07067	1.4
85.02889	1.3
95.08614	0.7
98.97578	5.6
107.08636	1.1
110.97565	2.0
116.98608	1.2
119.08577	1.6
121.06590	0.6
127.03967	1.1
128.84392	0.6
128.98619	1.4
137.05943	1.1
147.11673	1.4
158.99644	1.3
170.99667	0.7
177.00758	0.9
191.10733	0.7
203.17978	1.5
204.18294	0.9
206.05887	0.7
219.01779	1.0
237.02768	1.6
239.20166	0.9
293.07968	1.0
307.09842	0.8
325.10693	1.6
373.15305	5.1
430.55093	0.7
469.15021	1.3
487.19272	100.0
488.19653	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	487.1943
Annotation	Rutaevin
Peak:m/z	Relative Intensity
59.78039	0.4
68.60936	0.4
70.06570	0.4
78.83199	0.4
79.05480	0.5
81.03445	0.4
91.05468	0.6
91.41206	0.3
93.07028	0.6
93.55822	0.4
99.89610	0.4
103.05526	0.4
127.03865	0.5
131.04936	0.5
139.03885	1.7
156.29955	0.4
159.04164	1.4
163.07538	0.4
181.04936	1.1
191.10550	0.5
333.07956	1.3
355.17075	1.7
379.11203	0.7
382.13889	1.0
394.13879	0.5
397.12378	2.6
409.95572	0.4
412.14944	5.4
413.15063	0.5
427.14856	0.5
457.18488	1.0
469.24371	0.6
487.19742	100.0
488.20016	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	487.1944
Annotation	Rutaevin
Peak:m/z	Relative Intensity
67.05502	2.7
67.90256	1.8
69.07086	3.0
69.45637	2.3
69.45968	8.6
79.05502	2.7
81.07073	4.3
85.02915	3.5
91.05483	2.4
93.07050	2.8
95.08588	3.2
97.47276	1.9
105.01866	3.4
107.08595	5.9
109.10155	2.8
110.65302	2.0
127.03966	3.4
133.10199	3.1
139.03918	5.8
151.07562	4.1
203.17929	3.4
205.12312	3.1
219.13969	2.1
221.19002	5.4
248.55237	2.1
325.10767	4.2
347.61459	2.3
349.05215	3.1
487.19455	100.0
488.20255	3.3
501.57925	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.7
67.05499	0.5
69.17735	1.5
77.99744	0.3
85.02914	0.6
110.03703	0.5
111.04446	0.6
117.26711	0.3
123.04440	1.1
139.03902	19.5
151.03928	1.7
153.05476	0.3
163.03894	0.6
181.04961	6.4
182.05280	0.4
183.27026	0.3
203.05316	0.8
205.04991	0.6
210.73212	0.4
234.50301	0.3
247.43300	0.3
275.07388	1.0
285.41058	0.3
289.07166	0.9
317.08636	0.4
335.09506	11.7
355.17313	4.7
487.21503	100.0
488.21851	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	487.2151
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
69.45234	0.2
71.23467	0.2
77.71777	0.2
81.03410	0.3
86.06371	0.2
125.37953	0.2
139.03894	0.2
155.13762	0.2
167.03383	1.0
168.03712	0.5
193.04980	0.6
204.82207	0.2
215.52824	0.2
275.07391	0.2
335.09412	0.9
457.19589	0.2
487.10324	2.5
487.21490	100.0
488.21704	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.33107	0.3
63.59888	0.4
70.51888	0.6
100.72951	0.3
129.18846	0.4
275.07428	0.5
317.08478	0.5
335.09497	10.0
336.09680	0.5
355.17197	2.1
434.67490	0.4
487.21512	100.0
488.21823	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	487.2149
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
53.55779	0.3
54.47612	0.3
55.05495	0.6
61.11388	0.3
70.34649	0.8
78.91850	0.3
81.03415	0.4
84.32065	0.3
85.02892	0.5
93.07020	0.4
95.08599	0.5
97.02895	0.7
107.08546	0.3
109.02880	0.4
122.42863	0.3
127.03887	0.4
128.06659	0.3
137.05980	4.3
139.03917	2.4
141.09050	0.4
151.29189	0.3
161.06021	1.0
165.05479	4.6
175.07507	0.4
181.05034	0.7
187.01051	0.3
189.95694	0.3
197.81755	0.3
209.04405	0.3
221.11697	3.0
221.15306	2.1
239.12956	0.8
269.10052	1.0
311.16513	0.4
317.08472	0.6
333.07971	2.2
355.17239	1.3
409.10059	0.4
440.90219	0.3
487.21481	100.0
488.21909	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15311	0.3
55.05499	0.7
67.05486	0.5
69.03425	0.5
69.07059	0.9
81.07037	0.4
85.02929	0.6
95.08610	0.8
97.02901	0.4
105.07053	0.7
107.08595	0.6
109.10154	0.5
119.08556	0.5
129.45978	0.4
147.11685	0.4
167.03055	0.5
203.17963	0.6
209.47647	0.4
221.19017	1.1
227.05275	0.6
239.16222	1.4
239.20193	0.5
245.06349	0.9
271.04236	0.6
307.19183	0.4
313.16278	2.5
355.17331	4.7
399.16321	3.6
401.21466	3.2
408.17325	0.4
443.22482	13.3
487.21484	100.0
488.21890	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	487.2154
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.44499	0.2
66.69833	0.2
69.10036	1.5
70.98898	0.2
71.05011	0.2
79.91517	0.2
81.07079	0.3
85.02883	0.5
104.29230	0.2
116.01538	0.2
131.63109	0.2
137.05928	0.3
139.03896	0.8
161.06042	0.2
169.04929	0.3
227.07230	0.3
274.43469	0.2
275.07333	0.3
325.15933	0.2
333.08005	0.4
335.09467	2.8
341.02505	1.9
355.17206	3.0
487.21472	100.0
488.21729	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	487.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05021	1.1
81.07077	2.6
85.02885	2.2
91.05468	1.4
95.08604	2.7
97.02898	1.2
105.07011	1.7
107.08603	2.3
109.10143	2.1
109.20239	1.0
116.92709	1.1
119.08582	1.4
121.10104	1.1
127.03900	1.8
181.98276	1.2
203.18001	2.3
221.19064	3.0
222.99701	1.2
239.16185	1.8
239.19994	2.0
313.16052	2.1
346.37469	1.0
355.17242	5.2
369.36349	1.2
380.69135	1.0
399.16428	3.4
401.21234	3.0
443.22498	15.7
487.21512	100.0
488.21909	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	487.2154
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
56.96571	0.9
64.49306	0.3
64.78645	0.3
67.26514	0.3
67.69441	0.3
98.97586	3.2
116.98604	1.6
139.03915	0.9
177.84322	0.3
203.78523	0.3
204.33563	0.3
227.30780	0.3
261.15414	0.3
275.07388	0.5
279.98941	0.4
297.99921	0.5
307.01315	0.7
311.11053	0.9
313.02304	0.8
325.02374	1.4
331.03403	0.4
335.09482	1.3
385.04358	0.4
403.05399	0.5
427.05597	1.1
428.05780	0.3
445.06873	0.8
487.15262	3.5
487.21490	100.0
488.15512	0.4
488.21976	4.5
507.92914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93056	0.3
69.49676	0.3
69.50019	1.4
71.04984	0.7
77.02095	0.3
79.73294	0.3
81.73420	0.3
85.02887	0.6
113.15969	0.4
131.66037	0.3
154.75050	0.3
179.10440	0.3
185.04251	1.3
198.45486	0.3
200.56528	0.4
243.08286	0.4
331.09976	27.6
332.10333	0.5
349.10922	0.6
487.21509	100.0
488.21747	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	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12294	3.0
53.03946	8.4
55.01862	5.6
55.05516	7.8
56.26327	2.9
57.03432	4.6
61.02914	3.4
67.05505	14.0
69.03432	15.2
69.07077	7.8
69.82430	3.8
69.82730	6.0
71.04985	5.2
73.02932	4.8
74.70006	3.1
76.60868	3.3
79.05504	8.1
81.03423	22.2
81.07053	33.1
85.02903	59.8
87.00825	23.3
91.05476	11.0
93.07037	21.5
95.08603	50.3
97.02898	27.7
98.22757	6.3
99.04453	6.3
100.11227	4.9
105.01855	18.3
105.07034	22.3
107.08607	31.9
109.02876	19.0
109.10159	31.6
109.41331	3.4
117.01861	4.4
118.34034	2.8
119.08576	14.1
121.10162	17.9
123.11670	8.0
127.03908	38.5
131.08649	3.0
133.10153	13.9
135.11705	6.7
145.04953	17.1
147.11671	28.3
149.13266	6.0
159.02901	11.7
159.11664	3.4
161.13269	8.8
175.14833	9.8
177.26166	3.0
200.90544	3.8
203.17943	100.0
221.18947	15.8
231.04916	7.0
239.20111	10.9
249.05954	3.6
371.07733	3.2
402.15179	2.8
472.24911	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	487.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.0
55.05520	9.9
57.03435	4.9
61.02939	4.4
64.53829	3.7
66.81393	3.6
67.05501	16.7
69.03423	30.3
69.07064	19.0
70.31239	7.8
70.80537	3.5
71.04991	5.0
74.08823	3.6
79.05504	13.0
81.03428	12.6
81.07063	34.5
83.08626	8.6
84.01071	3.9
85.02913	71.2
87.00827	38.9
91.05476	16.5
93.07037	36.6
95.08597	51.0
97.02889	29.7
99.04430	7.5
104.99271	6.1
105.01875	62.8
105.07024	27.8
107.08604	32.4
109.02863	22.0
109.10173	27.1
116.29000	4.3
117.01796	3.6
117.72617	3.6
119.08592	23.5
121.10148	33.9
121.27303	3.2
123.11726	18.7
127.03923	47.1
131.08643	4.9
133.10132	25.4
135.11717	16.9
143.08542	4.2
145.04915	21.4
145.10170	4.9
147.11714	39.7
149.13231	28.0
151.11166	5.2
159.02867	9.7
159.11708	3.9
161.13274	13.6
163.14890	10.6
165.12813	8.6
175.14822	5.2
177.16304	4.2
203.17947	100.0
221.18982	53.2
231.05011	11.7
239.20045	25.3
249.05917	7.2
292.39984	3.5
321.38675	4.5
383.66489	3.7
415.21194	4.3
501.81198	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	487.2692
Annotation	Flavotoxin A
Peak:m/z	Relative Intensity
52.25880	0.5
53.03947	1.2
55.01868	1.1
55.05506	3.7
57.07065	1.4
59.70721	0.5
65.03940	3.4
67.01846	0.6
67.05504	10.7
68.99786	2.6
69.03419	1.6
69.07071	3.4
69.26711	2.3
77.03963	0.9
79.05490	6.2
81.03409	0.8
81.07058	6.1
82.04202	1.7
83.04988	0.8
83.08617	1.9
85.02907	0.7
87.04450	2.4
89.06052	0.7
91.05483	5.9
93.03393	2.1
93.07047	3.1
95.04974	7.6
95.08609	4.2
97.06538	5.3
97.10153	1.0
99.04447	0.6
103.05473	1.6
105.03406	0.9
105.04480	1.4
105.07028	2.5
107.04949	5.6
107.08618	1.6
109.06481	3.1
109.10162	2.3
110.03659	3.4
111.04470	5.2
115.05483	1.6
117.07029	2.9
119.04961	1.0
119.08557	1.5
121.06493	6.1
121.10136	1.5
123.04427	19.6
123.08101	0.8
123.11703	0.9
124.05191	2.2
125.05989	83.4
126.03126	2.2
126.06294	0.9
128.06235	0.7
129.07021	0.9
131.04913	2.2
131.08553	1.7
133.06502	3.8
133.08611	0.8
133.10124	1.2
135.04407	1.6
135.08005	2.8
137.05978	19.5
138.03130	0.7
139.03900	20.6
139.07544	11.3
140.04672	1.1
141.05461	5.8
145.06509	2.8
147.04378	1.5
147.08022	2.3
147.11754	0.6
149.02316	1.7
149.05965	4.6
149.09587	1.8
151.05026	0.8
151.07549	5.3
152.04700	1.1
153.05463	100.0
154.05829	1.1
155.03363	1.0
155.07042	1.5
157.06441	1.5
159.04440	0.9
159.07999	0.8
159.11694	0.6
161.05991	3.4
161.09570	1.3
163.03879	3.3
163.07532	18.4
165.05434	2.7
165.09151	0.9
167.03381	2.9
167.07042	22.3
167.08487	1.1
168.04167	7.0
169.04958	18.0
171.07982	0.8
171.11740	0.6
173.05994	1.7
173.09712	0.6
174.06728	0.7
175.07526	3.3
177.05490	8.7
177.09097	17.3
179.07021	9.7
183.06543	7.0
187.07503	2.6
189.09061	1.6
191.07007	4.1
191.10654	2.3
193.08612	11.2
195.06505	1.3
197.09589	0.8
201.09102	0.9
203.10619	1.2
205.08597	1.5
207.10133	0.8
215.10670	1.2
217.08624	1.2
217.12265	1.0
219.10052	1.2
231.09767	0.6
235.22784	0.7
243.06412	0.7
307.22626	1.7
315.19431	0.8
317.21106	1.4
319.22562	0.7
329.21460	1.3
359.20517	1.2
391.22391	0.8
405.20483	1.1
406.21152	1.7
409.23636	1.5
419.22043	2.0
423.21304	0.8
427.24863	1.3
437.17932	0.8
437.23285	9.6
441.26068	2.5
451.24850	3.5
455.24261	25.2
456.24484	1.2
459.27466	1.1
469.25909	15.6
469.32465	0.9
487.26614	8.7
487.35126	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	487.2694
Annotation	Withametelin J
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	2.5
55.05505	4.5
57.03429	1.0
57.07085	2.9
64.09966	0.8
65.03946	3.7
67.05507	20.7
68.99806	2.8
69.07072	4.4
71.08633	1.8
73.87756	0.9
74.71772	0.9
77.03913	1.3
79.05490	11.6
81.07051	13.2
83.05001	2.0
83.08636	2.8
85.02909	1.9
91.05481	6.2
93.07044	5.4
95.04026	0.9
95.04977	12.7
95.08609	11.9
95.24718	0.9
97.10184	1.7
103.05508	3.9
105.03438	1.3
105.04512	1.5
105.07025	5.7
107.04957	18.5
107.08618	2.7
108.02039	0.8
109.06544	3.7
109.09513	0.9
109.10129	4.6
111.04469	4.1
113.02378	1.1
115.05476	2.2
117.07034	3.7
119.04949	2.5
119.08595	1.5
121.02925	1.0
121.06534	6.5
121.10159	3.2
123.04427	25.8
123.05279	1.7
123.11720	1.3
124.05260	1.2
125.02386	2.1
125.06001	7.7
126.03136	6.3
127.03918	3.0
129.07043	0.9
131.04947	2.5
131.08589	3.0
133.06483	4.8
135.04477	2.3
135.08054	8.0
135.11690	2.6
137.05978	85.2
138.06323	1.5
139.03894	21.5
139.07576	2.8
141.05463	32.3
145.06502	2.9
147.04448	3.3
147.08040	2.0
148.05211	1.1
149.02377	3.1
149.06010	4.1
149.09631	3.8
151.03908	26.8
151.07574	12.7
152.04651	1.6
153.01889	5.4
153.05453	11.5
154.02629	4.4
155.03415	10.4
159.04344	1.3
159.08073	1.8
159.11771	1.0
161.05927	4.8
162.06743	1.2
163.03909	10.3
163.07536	67.7
165.05479	2.1
165.09210	1.4
167.03369	5.2
167.07036	14.0
168.04248	1.1
169.04965	57.4
173.06036	1.3
175.07597	5.0
177.05524	6.4
177.09109	20.7
177.10562	1.6
179.07024	7.2
181.04973	2.5
181.08569	1.4
187.07529	1.9
189.09142	3.7
191.07050	1.7
191.10667	5.2
193.08601	6.8
195.06538	1.8
197.55180	1.0
201.09169	1.1
203.10727	3.9
205.08786	1.5
205.12265	2.9
207.13695	0.9
217.12172	1.3
243.06519	1.1
245.50317	0.9
303.19446	1.4
307.22504	1.4
317.17545	1.1
331.19095	3.3
335.22305	1.3
373.16431	2.1
409.23593	1.4
419.22342	1.3
427.24890	2.3
437.23227	5.7
441.26517	1.3
451.24670	2.3
455.19266	0.7
455.24258	33.2
459.27386	14.1
469.25720	9.2
487.26898	100.0
488.27341	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	487.3059
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
55.05497	2.5
61.00914	1.6
65.03938	2.2
66.84845	1.5
67.05505	3.5
69.07063	2.6
79.05494	3.1
81.07059	3.0
82.04192	2.0
83.08637	1.6
83.20530	1.5
84.93239	1.6
87.04473	4.5
91.05463	4.2
94.40560	1.5
95.05006	3.4
95.08629	2.7
97.06513	4.1
105.07024	2.3
107.04965	5.0
109.06496	3.0
109.10162	2.8
110.03636	2.7
110.51353	1.2
110.66908	1.3
111.04414	4.3
111.08044	1.7
117.07026	2.5
121.06503	4.9
122.19968	1.6
123.04446	8.3
123.08034	1.6
124.05192	3.0
125.05993	61.8
125.06913	3.2
133.06506	2.1
135.08029	1.8
137.05969	24.9
139.03865	8.1
139.07538	20.0
140.04675	10.2
141.72794	1.5
145.06427	1.4
147.04320	1.5
147.08092	1.9
151.03888	3.7
151.07561	15.9
152.04681	53.8
152.05899	3.0
153.05466	100.0
154.06253	7.6
155.07025	3.5
159.08043	1.7
161.05965	4.9
163.07542	15.6
165.05382	1.7
166.06296	3.4
167.07039	83.7
168.07397	2.2
169.08643	1.9
177.09106	19.4
179.07011	6.4
181.08572	3.5
191.10730	4.2
193.08632	7.4
198.88597	1.7
207.10167	2.9
232.22763	1.5
257.08109	1.8
273.07562	5.3
305.10129	3.4
315.23105	2.5
333.24097	2.1
423.25342	3.1
437.26596	5.0
449.54245	1.6
455.27979	17.8
469.29422	11.5
472.27676	1.8
487.30219	18.9
487.36057	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21199	0.2
51.60272	0.2
51.61945	0.2
53.00298	0.2
53.03950	0.8
55.01882	0.6
55.05511	2.0
55.57279	0.2
57.07089	0.2
57.86025	0.2
58.57095	0.2
65.03935	1.5
66.04728	0.9
67.05506	3.2
68.99799	0.8
69.03416	0.4
69.07068	2.0
69.27373	1.1
77.03919	1.1
78.04710	0.4
79.05492	8.6
81.03433	0.5
81.07057	3.2
82.04196	0.9
83.04981	0.4
83.08616	0.8
85.02916	0.2
87.04454	0.4
89.30505	0.2
91.05474	5.0
93.07043	1.4
94.04181	1.7
95.04972	4.9
95.08593	1.9
96.05758	0.9
97.06525	2.2
97.10163	0.4
103.05460	1.3
105.03419	1.0
105.04512	1.6
105.07028	1.6
107.04956	15.3
107.08585	0.5
108.05772	1.2
109.02874	2.0
109.06522	5.9
109.10191	0.4
110.03689	1.4
111.04442	1.3
111.08090	1.1
115.05457	0.9
117.07004	1.1
118.04174	0.5
119.04995	0.5
119.08566	0.3
121.06503	10.7
121.10161	0.2
122.03658	2.0
123.04433	7.4
123.08087	1.3
124.05209	13.3
125.05991	36.9
126.03152	0.9
126.06360	0.3
129.06979	0.4
131.04935	1.0
131.08580	0.6
133.06505	3.2
134.03613	0.2
135.04424	1.0
135.05475	0.4
135.08066	3.4
136.05199	0.3
137.05977	29.4
138.06700	0.4
139.03964	2.2
139.07539	55.5
140.04655	1.4
140.07889	0.9
141.05470	1.2
143.05063	0.2
143.08601	0.3
144.05785	0.2
145.06473	1.1
145.10098	0.3
146.03580	0.3
146.07294	0.4
147.04439	1.0
147.08041	2.1
148.05171	0.4
149.06009	1.7
149.07077	0.4
149.09613	1.7
151.04005	0.2
151.05049	0.4
151.07544	10.1
152.04665	1.0
153.05466	53.5
154.06232	1.8
155.07043	1.2
157.06566	0.5
159.08055	0.5
160.05174	0.6
161.05978	6.8
161.09627	0.9
162.06729	0.9
163.07542	23.2
164.07951	0.4
165.05428	0.6
165.06609	0.8
165.09113	0.2
166.06300	1.0
167.07034	100.0
168.07440	2.1
169.04773	0.2
169.08604	0.3
173.09686	0.2
175.07547	3.1
176.08342	0.3
177.09106	24.3
178.09465	0.5
179.05536	0.4
179.07028	4.8
181.08614	2.5
181.10089	0.4
187.07652	0.4
187.11150	0.3
189.09096	1.7
191.10689	2.5
193.08609	5.0
203.10635	0.8
205.12231	0.5
207.10144	1.3
217.12212	0.3
231.13818	0.3
242.05849	0.3
243.06454	0.3
257.08044	0.9
259.09348	0.3
271.09744	0.6
273.07697	0.4
275.09192	0.4
283.09592	0.6
297.11273	0.5
301.10413	0.2
301.21619	0.3
315.23157	4.3
319.22729	0.3
321.24155	0.3
333.24265	3.4
335.25723	0.3
347.25323	0.3
349.66373	0.2
351.36789	0.2
405.24057	0.6
409.27045	0.3
423.25317	2.0
427.28357	0.5
437.26868	4.6
438.27307	0.5
455.27914	13.2
456.28180	0.5
469.29453	3.7
470.29727	0.3
487.30344	5.6
487.35666	0.3
488.30521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51477	1.2
53.03947	5.3
55.01850	3.3
55.05511	26.4
57.03431	3.5
57.07061	2.2
64.13121	1.5
65.03936	5.4
67.05506	76.7
69.07075	13.9
69.57065	6.4
71.05006	2.4
73.06550	1.9
75.98389	1.4
77.03936	4.2
77.69681	1.4
79.05494	100.0
79.19439	1.4
81.03426	11.4
81.07059	65.0
81.48712	1.4
82.07362	1.4
83.04978	15.7
83.08635	8.0
83.09057	1.5
85.06548	4.4
91.05485	83.0
93.07049	76.7
93.30996	1.4
95.04968	32.5
95.08608	37.4
97.06529	6.6
97.10188	3.5
98.23352	3.2
99.08110	2.3
103.05457	1.9
105.04529	8.3
105.07033	53.3
107.04975	8.8
107.08595	24.2
109.06509	10.7
109.10165	5.9
111.08066	1.5
117.07010	13.3
119.06026	1.4
119.08585	36.2
121.06519	5.6
121.10150	6.8
123.04464	2.6
123.08084	9.2
127.07517	1.6
128.06235	3.4
129.07010	25.1
131.08575	2.1
133.06480	1.7
133.10143	14.6
135.08096	2.3
135.11723	2.4
136.94711	1.4
137.09601	1.4
141.06917	1.7
141.09079	1.8
143.08556	12.9
145.06494	2.0
145.10129	14.7
147.08084	2.8
147.11694	44.6
149.06013	3.0
156.09319	2.0
159.11652	1.5
161.09653	5.8
161.13280	18.4
163.07518	3.7
165.09247	1.4
167.49055	1.5
171.11708	43.8
179.14345	2.4
189.12758	20.7
207.13803	52.1
225.14897	11.0
233.19691	1.4
264.14908	1.6
281.17368	8.7
300.59332	1.6
389.17450	1.5
487.30554	75.9
488.30911	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01870	4.4
55.05508	20.8
57.03438	2.0
57.07066	1.9
65.03929	5.2
67.05505	68.6
67.05865	3.5
67.90008	1.8
69.03434	1.6
69.07072	12.7
73.06544	3.7
77.03916	4.0
79.05495	100.0
80.26180	1.9
81.03425	11.0
81.07059	59.7
83.04993	17.1
83.08610	9.2
85.06513	2.9
91.05480	79.6
93.07045	70.3
95.04974	32.6
95.08604	35.9
97.02879	2.4
97.06514	7.4
97.10152	5.3
103.05501	2.0
105.04506	7.2
105.07034	58.6
107.04947	8.4
107.08597	23.1
109.06507	7.4
109.10136	7.8
111.08078	2.5
111.83939	1.8
117.07027	10.5
119.08581	28.3
121.06472	4.8
121.10139	5.8
123.08041	6.4
128.06207	4.3
129.07010	23.5
131.08559	4.1
133.06461	2.2
133.10136	13.9
135.08067	2.5
135.11647	4.0
143.08568	9.2
145.10115	13.6
147.08060	3.8
147.11687	43.1
161.09627	5.9
161.13269	14.9
163.11113	2.2
169.10088	2.4
171.11679	38.1
179.14308	3.8
189.12753	20.0
207.13795	49.1
225.14871	6.6
263.16284	2.3
281.17526	5.6
407.96460	1.5
439.37112	1.7
487.30438	69.6
488.30542	2.8
501.45749	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Sandorinic acid A
Peak:m/z	Relative Intensity
55.05514	16.9
56.65350	4.5
57.03426	5.6
57.07077	13.3
65.03944	5.4
67.05507	23.9
69.03426	8.6
69.03790	5.1
69.07069	18.2
71.04984	7.8
79.05485	21.1
81.03432	4.4
81.07055	49.2
83.08617	16.5
85.02893	20.8
85.06550	8.1
87.00828	7.5
91.05476	14.5
93.07042	38.7
95.04937	4.2
95.08609	76.9
97.02920	6.9
97.10189	5.1
105.07029	37.4
107.08588	57.8
109.02863	5.5
109.06486	4.6
109.10171	47.6
111.08097	5.2
117.06984	7.7
117.94363	4.7
119.08569	41.8
121.10136	55.2
123.11723	20.1
127.03918	12.6
129.05482	4.9
131.08557	28.1
133.10117	33.0
135.11676	38.9
137.06018	6.6
137.13300	7.8
142.07860	5.7
143.08546	22.5
145.04993	8.6
145.10146	30.6
147.11649	27.2
149.13208	22.6
151.07425	6.0
155.08583	11.0
157.10132	24.6
158.10780	6.0
159.11710	40.2
161.09621	12.1
161.13292	21.6
163.14856	26.5
169.10178	12.9
171.11711	18.3
173.09782	7.3
173.13258	53.2
175.07597	4.7
175.11209	11.3
175.14828	13.5
177.16438	10.8
179.07109	4.0
181.10117	7.4
183.11703	14.4
185.13229	13.7
187.11118	5.0
187.14851	11.5
189.12848	5.2
189.16379	19.5
191.17938	48.8
197.13148	9.9
199.11133	4.0
199.14775	6.5
200.42894	4.2
201.12721	31.7
203.14267	6.2
203.17947	22.7
205.12219	37.8
207.17401	6.4
209.11667	24.6
215.14355	11.7
215.17966	4.1
217.12241	13.9
217.15869	6.1
217.19569	10.2
219.13826	8.3
221.19043	10.7
223.13269	6.1
225.16376	7.0
229.12248	6.6
241.15936	5.1
259.39569	5.0
320.63571	4.8
405.31454	20.0
423.32190	29.6
441.33533	30.2
451.32004	18.6
469.33051	100.0
487.21243	12.6
487.27197	8.2
487.34009	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00973	0.8
55.05507	4.9
58.06600	2.0
63.37001	0.9
67.05505	2.7
69.07066	3.7
69.96539	3.1
70.06591	1.1
70.58123	0.9
70.81468	0.9
72.04516	5.6
81.07052	4.0
83.08633	1.1
91.05460	1.6
93.07118	1.0
95.04962	1.1
95.08605	3.5
100.07621	80.6
101.07983	1.2
104.99258	1.0
105.07019	1.2
107.04925	1.4
117.10270	1.2
119.08604	1.3
121.06505	1.1
123.04454	1.5
129.06987	1.1
130.17601	1.1
135.04416	2.0
137.05954	5.4
147.04407	2.1
147.08043	2.6
149.06001	1.9
157.06606	1.0
159.08005	1.2
160.05194	3.0
161.05865	1.8
163.07526	4.6
164.78299	1.0
169.13373	16.5
174.75397	0.9
175.07559	19.2
177.09088	8.0
189.09157	1.3
203.10634	1.4
300.34933	1.0
325.90332	1.1
371.29559	1.8
388.31976	2.0
428.35196	2.2
487.38968	100.0
488.39142	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	488.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.9
57.03427	1.1
59.04991	0.7
60.05993	0.5
63.21290	0.5
64.93307	0.5
67.05502	0.9
69.78797	0.6
69.79113	1.3
74.35452	0.5
79.05514	0.7
83.04982	14.2
83.43211	0.5
85.02908	6.0
91.05471	1.3
92.05841	0.5
97.02864	0.8
97.06527	9.9
101.06017	6.9
103.03926	1.7
109.02875	1.6
121.02855	0.8
125.05993	49.1
127.03911	2.7
133.02855	1.7
137.05994	0.6
138.03091	0.6
139.03882	4.7
143.07018	1.7
145.04948	3.8
147.04332	0.7
147.70753	0.6
149.02361	2.1
150.03111	4.5
151.03885	0.6
159.04419	2.0
162.88356	0.5
163.03912	1.0
165.05466	1.5
165.41037	0.5
166.02637	0.9
167.03401	0.9
175.03938	1.3
176.04660	0.9
177.01833	10.1
177.05388	0.9
179.03365	1.0
181.04942	6.3
185.08023	1.2
187.03944	1.1
187.06039	1.9
191.03403	3.5
193.04974	1.7
194.02086	8.4
195.02916	1.6
197.04500	1.8
199.03949	0.5
204.04306	0.8
205.04950	4.1
207.02911	0.5
207.06454	1.1
209.04457	100.0
210.04718	2.4
215.03419	1.2
219.06506	1.4
221.04492	1.5
223.02483	0.6
223.05898	0.7
227.09123	7.7
229.05078	0.8
233.04449	3.8
235.02391	0.5
245.04408	0.9
245.10152	2.8
247.06024	3.2
251.05502	7.8
257.04547	0.5
260.03180	1.2
263.05511	3.3
275.05505	4.5
281.06494	0.6
293.06540	4.7
311.07620	2.8
313.09006	0.7
329.08627	6.1
342.03000	1.4
353.08801	1.1
369.71762	0.6
379.80432	0.5
411.12692	1.4
435.12955	1.0
453.13940	1.0
488.09088	1.1
488.21252	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	488.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
53.07934	0.5
55.01870	9.7
55.05507	1.3
57.03441	7.9
57.07070	1.8
61.02927	8.5
65.03927	1.2
67.05487	0.9
68.99773	3.5
69.03426	35.9
69.07069	0.7
69.33957	2.1
71.01348	0.7
71.04990	7.3
73.02914	10.2
79.05492	0.8
81.03416	31.7
81.07052	1.4
83.01328	0.9
83.04982	1.9
85.02901	100.0
85.06544	2.5
86.03213	0.6
87.00826	45.1
87.04453	1.7
91.03960	3.4
91.05498	1.8
93.07019	1.6
95.04981	1.3
95.08624	1.2
97.02889	78.9
97.06523	2.6
97.81123	0.5
98.03251	0.5
99.04453	19.3
101.02367	0.8
103.03909	0.9
105.01863	70.1
105.07063	1.5
106.02277	0.7
109.02873	35.7
109.06530	0.9
111.04424	3.0
115.03931	1.7
117.01852	4.9
117.05439	0.6
119.08579	1.6
121.02866	17.8
123.08064	1.3
125.05959	1.0
127.03912	99.0
128.04285	1.3
129.01833	4.7
135.08147	0.6
139.03900	11.4
139.07524	0.7
145.04955	59.0
147.02905	3.6
147.08031	1.8
149.02335	34.5
151.07542	1.1
159.02885	21.9
165.09100	1.7
167.03377	3.1
168.06441	0.6
171.02853	0.8
175.07492	1.3
177.03957	1.5
189.03909	2.8
193.08627	2.8
205.08580	2.7
205.12340	0.9
211.09616	3.6
213.03914	4.1
223.09630	6.5
231.04988	24.4
249.06020	7.4
279.08557	0.6
297.09586	1.6
315.10715	4.2
488.19583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
56.05028	1.4
68.05032	0.9
72.08190	0.4
74.02432	2.5
82.06583	21.0
82.43845	0.4
84.08128	0.5
85.88595	0.4
86.06059	2.4
100.07621	16.6
116.07082	0.7
121.25306	0.4
128.07080	8.3
130.08624	0.4
132.06567	4.5
146.08122	100.0
147.08469	1.4
177.46942	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	488.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.4
60.38390	0.2
61.26532	0.2
67.05503	0.4
67.94295	0.2
69.03433	0.2
69.07066	0.2
70.64150	0.3
71.04997	0.2
79.05466	0.3
81.03388	0.4
85.02897	0.8
87.00819	0.6
91.05473	0.6
97.02911	0.6
105.07034	0.7
109.02847	0.2
109.06527	0.2
117.06998	0.4
121.06509	2.9
128.06158	0.5
130.07848	0.3
133.06474	0.6
134.03653	0.4
135.08089	1.1
137.05960	1.7
143.04872	0.2
143.08549	0.5
143.73996	0.2
145.06465	0.6
145.10150	0.4
146.07271	0.3
147.08047	1.0
149.05988	0.8
149.09583	0.3
151.07529	2.1
158.07266	2.2
159.08052	4.1
160.08772	0.4
161.05989	4.0
161.09482	0.3
163.07549	1.4
165.09061	0.4
173.09612	2.0
174.10406	7.5
175.07538	5.1
175.11162	0.9
176.08328	6.8
177.09099	2.8
188.08231	0.6
189.09126	1.3
190.09877	8.5
191.10501	0.2
198.10449	0.3
203.10605	0.6
205.12230	100.0
206.12593	2.5
214.81622	0.3
219.13785	0.3
223.13307	0.7
229.12195	1.0
247.13333	0.3
253.12277	0.3
295.13312	0.3
313.14233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.5
67.05495	21.0
69.03416	5.4
69.07066	19.9
71.44878	5.0
79.05482	15.6
81.03388	5.6
81.07056	100.0
83.08615	9.6
85.02905	20.2
87.00829	7.6
91.05470	8.9
93.07043	55.6
95.04987	4.3
95.08601	51.2
97.02885	8.8
104.55766	3.4
105.01865	21.4
105.07055	5.3
107.08595	26.9
109.10159	44.0
111.11702	5.7
111.17865	3.7
116.72596	3.4
121.10136	99.9
122.74677	3.8
123.11698	13.2
127.03924	17.0
135.11703	22.1
135.12622	3.4
137.13268	4.6
145.04973	13.9
149.13246	53.0
157.56343	4.3
159.02856	7.2
188.67804	3.8
205.19489	28.8
231.05046	10.6
284.09860	6.1
469.22906	3.9
472.38733	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	488.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68086	1.1
55.05510	2.2
63.14499	1.0
65.03934	1.5
67.05499	5.5
69.07066	3.3
69.99207	3.2
79.05489	2.8
81.07063	3.2
91.05460	1.9
93.07052	1.4
94.06558	15.6
95.04955	2.4
95.08639	1.2
96.04491	1.2
97.05290	1.3
100.07632	3.3
108.04478	2.2
109.05272	1.8
109.06518	2.2
109.10227	1.3
110.06042	3.0
111.04440	1.6
112.03955	2.7
121.06487	1.9
122.06018	22.5
123.04429	10.3
124.03969	9.8
124.07594	1.5
125.04718	9.0
125.06000	9.3
126.05549	4.8
131.08548	1.9
133.06493	1.5
136.07573	1.8
137.05968	15.7
138.05508	12.4
139.03914	4.6
139.06282	4.6
139.07454	1.8
140.03436	4.1
140.07066	13.5
141.04256	1.3
146.06078	1.5
149.05969	2.0
150.05515	1.7
151.07556	4.4
152.03386	8.0
152.07057	14.7
153.05443	9.9
154.04997	4.6
155.05859	2.2
156.06551	1.5
160.07698	1.6
161.05965	2.2
162.05602	2.0
163.07578	3.0
164.07088	2.4
166.04948	1.3
166.08630	1.2
167.07101	1.5
168.06551	39.3
169.13498	1.4
177.05428	1.4
177.09125	2.6
178.08595	6.0
179.07030	2.2
192.10216	5.5
194.08299	1.2
238.99014	1.2
242.47827	1.1
306.24307	1.8
312.43445	1.1
359.22247	1.2
405.41653	1.3
408.62378	1.2
410.26642	1.8
428.27869	1.9
438.26404	2.5
446.24301	1.1
452.28119	3.2
456.27423	19.3
458.37753	1.3
470.28958	23.4
471.27829	4.4
488.30054	100.0
488.38327	3.8
489.30075	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	488.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
57.07076	3.0
58.99570	0.7
67.05492	1.1
69.07061	5.5
69.31414	2.4
71.08619	2.3
72.54052	0.6
73.43459	0.5
79.05504	4.1
81.07027	0.6
87.02671	1.5
89.06014	1.0
91.05481	2.4
92.42236	0.5
93.07043	1.3
95.04937	0.5
95.08606	0.9
103.05467	2.6
105.07030	19.8
106.07806	1.4
107.08571	2.0
109.10149	0.8
119.08569	0.6
121.06502	1.4
121.10125	0.6
133.06487	22.0
133.08568	0.7
134.07265	9.7
135.08051	38.3
136.08424	0.8
137.04207	1.6
137.05933	1.6
143.08878	1.4
145.10056	0.6
151.07529	9.0
165.03703	20.7
166.03990	0.6
167.05246	5.4
175.60005	0.6
179.05264	6.0
183.04752	1.1
225.65585	0.6
229.16071	0.7
277.16217	9.7
277.21503	0.9
287.39185	0.5
295.17255	100.0
296.17590	3.1
324.78745	0.6
352.90927	0.5
359.20660	0.9
462.49908	0.8
466.66876	0.6
510.39313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
56.07422	2.2
57.07076	83.9
63.05117	2.5
69.07093	2.0
70.52435	3.8
80.61581	2.8
87.04484	9.7
89.06031	100.0
91.05492	9.0
93.07041	12.9
93.97061	2.3
95.04970	5.5
97.32240	2.5
98.23374	2.6
103.05461	4.9
105.07079	4.0
107.07098	2.4
114.48036	2.4
118.07793	6.0
119.04973	3.8
119.08544	4.3
121.06511	67.8
133.08606	59.3
147.08064	12.8
149.09621	5.2
150.06818	3.8
154.31418	2.2
165.09117	33.3
167.23286	2.2
172.43535	2.8
177.11244	21.6
177.12614	3.6
191.10699	3.5
209.11760	13.0
216.82968	2.3
233.19006	19.3
253.14476	4.8
271.15491	5.0
277.21625	32.7
309.49069	2.8
315.17993	4.8
321.24213	8.8
347.50806	2.5
359.20633	92.7
360.20709	2.5
471.33191	56.3
488.35696	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	489.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.05259	4.2
55.05513	70.1
57.07063	7.8
65.03933	2.3
67.05502	14.1
69.07065	10.4
69.43881	2.7
69.44203	10.2
79.05496	12.5
79.89159	2.2
81.07060	16.5
83.04984	100.0
83.08612	2.3
85.79168	2.5
91.05488	14.8
93.07043	41.7
95.04957	4.3
95.08613	31.0
97.06567	3.9
105.07027	24.5
107.08605	40.5
108.08950	2.1
109.06487	3.3
109.10165	24.8
113.09644	6.3
117.07005	5.3
119.08562	21.3
121.06513	6.6
121.10146	39.4
123.08071	8.1
123.11729	5.2
128.06192	4.5
129.07005	10.2
131.08551	12.7
133.06505	3.0
133.10101	10.4
135.11694	35.9
137.05971	18.2
137.09630	5.7
139.11143	5.2
141.06978	6.5
142.07755	4.1
143.08580	18.3
145.10109	13.4
147.08089	4.5
147.11688	7.0
149.09604	4.1
149.13264	4.7
153.05431	2.6
155.08557	7.7
157.10170	18.9
159.11710	12.2
161.13263	6.2
163.07516	2.7
163.11179	14.0
165.07080	2.6
165.09064	2.2
166.07771	2.7
167.07198	2.4
167.08549	9.4
169.10110	7.2
170.10913	2.9
171.08058	3.6
171.11658	12.3
173.13251	12.6
175.11360	2.7
177.09131	3.9
177.12752	7.9
180.09325	3.9
181.10123	23.1
183.11700	8.4
185.13243	17.5
189.12701	6.7
193.10103	3.6
194.10828	2.6
195.11671	16.7
197.13272	7.6
199.14803	11.3
201.12790	3.6
203.14375	7.5
207.11818	3.2
207.13681	2.7
208.12509	3.3
209.13190	15.0
211.14824	2.5
213.12708	8.3
213.16383	5.5
215.69760	2.4
222.14160	2.3
223.14784	20.8
225.16406	7.0
227.14343	9.7
237.16415	7.6
239.18011	6.4
241.15909	7.6
241.19518	6.2
243.17427	2.2
245.15247	3.9
255.17508	7.2
255.21135	18.9
257.19025	11.7
265.19528	49.4
266.19653	3.7
283.20563	96.0
284.20905	2.9
301.18491	4.3
301.21640	65.0
365.24850	7.1
383.25757	8.6
401.26706	10.5
401.34299	3.6
489.31635	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	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.02375	1.0
53.03943	1.9
54.20483	0.8
55.01893	0.9
55.05511	13.3
57.03431	3.1
57.07083	4.0
59.05014	3.6
59.79261	0.6
63.04414	0.7
65.03934	3.3
67.05505	91.0
69.07074	8.6
71.05000	3.2
71.45330	0.9
77.03921	1.4
79.05495	27.3
81.07059	34.0
83.04977	2.1
83.08621	9.6
85.06550	2.7
89.06000	1.1
91.05479	19.7
92.05782	0.6
93.07046	30.0
95.04994	4.6
95.08604	22.7
96.08934	0.6
97.06521	2.8
97.10158	2.2
98.22649	2.0
99.08072	1.0
105.04527	2.0
105.07028	16.2
107.08592	16.1
107.09264	1.3
108.16624	0.7
109.06519	1.7
109.10159	59.6
110.10535	0.8
111.08094	2.8
111.11736	0.7
117.06994	6.2
119.08588	18.9
121.06535	1.1
121.10151	14.7
123.04479	0.9
123.11706	1.6
125.06025	2.3
125.09695	1.6
126.06338	0.9
129.06992	1.9
131.08574	11.0
131.09488	1.2
133.10127	9.6
135.11700	8.8
137.05994	1.4
137.09642	2.4
140.07933	0.9
141.06989	0.7
143.08562	2.7
145.10123	9.0
146.79118	0.7
147.11708	8.3
149.13263	4.5
153.05470	4.1
154.05850	1.5
155.08568	1.6
155.10693	2.6
157.10138	2.7
159.11693	6.0
161.13226	4.2
163.14841	2.1
167.07045	0.9
169.10147	1.8
171.11711	2.8
173.11768	15.3
173.13261	3.2
175.14842	2.5
177.16452	0.8
183.11806	1.6
185.13280	1.9
187.14864	2.8
189.16296	0.9
197.13287	1.9
199.14828	1.7
201.16234	0.9
211.14854	1.0
213.16573	1.0
229.14359	1.0
243.21048	1.7
261.22195	6.1
271.20691	1.0
299.23843	1.5
317.24869	2.4
377.26831	0.8
379.29782	4.1
397.31082	7.0
415.32312	1.8
433.33783	0.8
457.24835	2.0
471.34506	4.7
472.34009	0.9
489.35803	100.0
490.36047	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	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37695	13.7
69.07079	17.5
70.67600	15.1
71.07043	15.6
77.08946	12.7
95.08582	25.3
123.08042	13.6
158.39760	15.8
165.16499	15.3
167.07080	100.0
205.08598	16.9
225.81966	13.4
429.34274	15.0
438.48737	14.8
450.26483	15.3
476.43604	16.6
489.36682	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Lycoclavanin
Peak:m/z	Relative Intensity
54.51107	4.0
55.05502	12.0
57.07057	3.8
67.05505	25.7
69.07059	16.5
73.61124	3.8
79.05483	12.0
81.07068	27.2
83.08625	4.3
85.06528	5.1
91.05462	10.3
93.07066	24.0
95.04984	6.0
95.08602	49.7
99.08099	74.0
105.07040	13.8
107.08594	26.6
109.10152	79.8
119.08573	19.5
121.06511	8.5
121.10136	41.4
123.04449	6.5
123.08030	5.1
123.11695	21.6
131.08566	10.4
133.10124	17.9
135.08098	6.4
135.11691	18.1
137.09595	7.8
137.13237	7.1
145.10118	10.1
147.11691	9.3
149.13251	10.7
153.06929	4.5
159.11664	8.0
161.09752	7.4
161.13237	7.7
163.11195	5.4
165.12726	4.3
169.12270	11.4
171.11658	6.6
173.11826	4.1
173.13248	4.9
184.49776	4.5
191.10666	5.5
193.91910	4.1
203.10812	4.0
203.14273	6.4
205.19583	7.9
213.36334	4.5
299.23679	5.5
301.21625	7.9
310.18375	5.7
325.28613	4.8
345.24057	14.8
427.32147	6.1
453.33615	29.1
471.34747	100.0
472.35086	8.6
489.35880	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	490.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.2
53.21989	0.6
57.03424	0.6
65.03941	0.8
67.05496	0.6
68.99800	2.0
79.05488	2.2
81.07051	1.0
85.02898	1.7
91.05487	2.1
93.07047	6.4
95.08654	0.8
97.02904	1.4
97.25444	0.6
103.86348	0.6
105.07043	1.7
107.08590	1.7
109.10136	0.9
111.00813	2.3
111.04425	0.6
121.02905	3.1
121.10139	5.4
123.04417	1.9
127.03925	2.2
131.08537	0.9
139.03903	100.0
140.04272	1.0
149.05972	0.7
149.09572	1.3
151.03918	9.8
151.07535	6.9
159.08026	2.4
161.05968	0.7
163.03915	9.2
163.07512	0.8
175.07559	0.8
177.05527	0.6
177.09041	1.1
179.07001	1.9
185.77495	0.7
187.07570	0.7
205.04999	4.2
205.08507	0.7
207.13857	2.0
211.16994	1.5
225.14851	1.9
231.10052	1.8
236.66608	0.6
249.14955	1.1
262.69061	0.6
271.05975	1.1
287.12799	0.9
289.07074	25.6
291.15811	1.8
301.07047	1.3
315.15656	1.1
406.75632	0.6
455.17050	9.4
491.12311	1.0
491.18863	11.7
504.59186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.4
53.03921	0.6
55.01864	1.4
62.30180	0.7
65.03941	0.9
67.05519	0.7
68.41367	0.5
68.99787	1.3
69.03435	3.1
69.07052	1.5
69.29671	1.4
69.30083	2.2
79.05493	2.8
81.03415	2.1
81.07056	0.7
85.02904	6.8
87.00821	2.7
91.05470	2.0
93.07040	7.3
95.04970	1.2
97.02884	2.1
99.04459	0.8
101.46067	0.6
105.01856	0.9
105.07006	1.2
107.08586	1.3
107.38024	0.6
109.02862	2.0
111.00791	2.2
111.04441	1.1
121.02861	1.4
121.06498	1.7
121.10143	4.2
123.04418	1.8
123.08076	1.5
127.03911	4.8
129.01799	0.9
133.02893	0.7
133.06473	0.7
136.05246	0.7
139.03894	100.0
140.04240	1.1
143.26411	0.6
145.04926	1.5
145.06491	0.9
149.05995	1.0
149.09560	0.8
151.03915	9.3
151.07535	50.6
152.07874	1.0
159.02901	1.8
159.08044	1.2
161.05908	0.6
163.03896	10.3
165.09140	0.7
167.10670	0.7
175.07526	8.2
175.11096	0.7
177.05438	1.1
179.06990	2.8
187.07422	0.6
189.09093	1.6
191.03278	0.6
205.04994	4.3
207.13780	7.9
217.08594	2.1
225.14861	17.2
226.44574	0.7
231.10170	2.2
231.13832	2.4
241.08597	1.1
249.14851	8.0
287.05560	0.7
289.07047	30.0
290.07111	0.8
291.15897	8.6
301.07135	1.3
315.15912	2.2
333.16965	2.8
342.79605	0.6
346.33844	0.6
406.02029	0.7
437.44553	0.6
455.17010	9.7
491.19006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.30832	0.2
55.01873	0.8
55.05504	0.4
57.03422	0.6
57.31018	0.2
61.02932	1.2
67.05495	0.5
68.99786	0.8
69.03428	3.3
69.07063	1.1
71.04998	0.4
71.07577	0.2
71.45747	0.3
73.02921	0.8
73.22514	0.2
79.05463	0.4
81.03409	2.6
83.01332	0.3
85.02905	7.6
85.06541	0.6
87.00829	3.5
88.07635	0.8
89.06026	0.4
91.05479	1.3
93.07043	0.8
95.04974	1.0
95.08608	0.4
97.02884	3.2
99.04456	1.2
103.03947	0.3
104.69958	0.2
105.01866	2.5
105.04514	0.3
105.07022	0.3
107.04952	0.2
108.05751	0.2
109.02885	2.4
109.06544	0.3
111.04486	0.3
114.13725	0.3
117.01836	0.2
121.02908	0.3
121.06502	1.8
123.08047	1.2
127.03029	0.3
127.03916	4.6
129.01799	1.2
129.07039	0.3
131.08597	0.4
133.06458	0.3
133.10089	0.3
135.08000	0.4
136.05174	0.8
137.05943	0.6
137.09689	0.3
139.03883	1.9
139.07544	0.8
145.04955	2.4
145.06427	0.6
147.02869	0.9
147.04474	0.2
149.02365	0.5
149.06018	0.3
149.07095	0.4
151.07535	100.0
152.07861	2.2
158.07335	0.3
159.02864	1.4
159.08008	0.5
161.06042	0.4
161.09593	0.6
163.03734	0.3
163.07503	0.4
165.09090	1.4
171.11740	0.3
172.08803	0.2
173.09682	0.2
174.06764	0.2
175.07536	11.6
175.11118	0.7
176.08028	0.3
177.09094	0.6
187.07523	0.4
188.08298	0.7
188.11873	0.2
189.03943	0.6
189.09108	3.2
191.10687	0.7
192.87019	0.2
193.05011	0.4
193.08603	2.4
201.09097	0.5
201.12918	0.4
203.10605	0.5
203.14340	0.7
205.12253	0.5
207.13795	55.2
208.14131	1.3
211.16844	0.6
213.09088	0.3
217.08589	5.5
217.12213	0.8
219.13786	0.5
225.14848	10.7
226.15149	0.3
229.08516	0.3
229.12212	1.2
231.04915	0.8
231.10107	0.5
231.13792	11.5
232.14169	0.3
235.13229	0.3
241.08627	0.5
243.13765	1.8
245.15382	1.4
247.09599	0.3
249.14853	9.6
250.15059	0.3
255.13724	0.2
259.09659	1.1
259.13110	0.4
269.15323	0.4
271.13324	0.3
273.14838	9.7
274.14999	0.3
289.07037	0.5
291.15869	3.1
297.14801	3.3
298.15271	0.3
315.15887	6.5
333.16895	0.9
333.69376	0.3
363.10733	0.7
401.16028	0.5
419.17007	1.6
429.11884	0.3
437.18039	0.6
490.16931	0.5
490.33850	0.5
491.18866	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	0.5
69.07066	1.5
69.20706	2.1
79.05489	0.4
85.02921	0.8
91.05479	3.8
93.07071	0.6
95.04964	1.0
105.01867	0.4
105.04536	0.6
105.07009	0.6
107.18208	0.3
108.05727	0.6
109.58842	0.3
121.06512	7.0
123.08073	0.5
139.07561	2.8
144.42506	0.3
149.07054	0.6
151.07538	100.0
152.07870	1.9
164.88669	0.4
165.09116	1.2
177.09210	0.4
207.13794	66.4
208.14171	1.9
219.13655	0.7
225.18620	0.4
249.14677	0.4
315.15784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25252	1.4
53.03955	2.0
55.01867	3.0
55.55553	1.4
57.03433	4.6
57.39900	1.2
61.02908	1.4
69.03420	8.8
69.07072	3.8
69.25457	7.0
73.02904	1.3
81.03423	8.1
81.07025	1.2
85.02898	17.5
87.00856	6.7
88.85161	1.2
91.05486	4.6
95.04950	7.1
97.02882	8.5
98.23460	2.0
99.04462	3.5
105.01867	5.0
105.07073	2.6
109.02869	6.9
111.04440	10.8
121.06532	6.6
127.03928	9.1
133.06522	1.4
135.08076	4.2
139.07530	4.9
145.04930	3.6
147.07970	1.6
151.07532	100.0
152.07863	2.2
153.09158	1.4
159.02881	3.4
159.08006	2.4
161.05940	3.3
163.07562	1.8
165.09088	15.0
172.08920	1.5
174.06746	1.6
175.07567	4.0
176.08365	2.8
177.09100	14.0
179.10664	1.7
188.08368	4.4
189.09090	10.5
191.10660	3.6
193.08630	3.7
201.09111	2.2
202.09865	2.4
203.10667	3.8
205.12270	6.5
206.12958	1.5
207.13806	47.4
215.10625	1.8
217.08711	2.0
217.12202	7.1
219.13768	16.1
219.15741	1.8
223.13252	8.2
225.14896	12.1
229.12199	2.0
231.13799	14.5
235.13257	47.6
237.14841	7.9
249.14847	18.8
255.13751	1.8
273.14908	12.0
287.16336	3.1
291.15909	4.8
297.14709	2.4
315.15903	31.5
316.16272	1.4
333.16953	7.5
340.21194	1.5
387.61395	1.4
437.18054	5.4
518.31207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80112	1.6
53.03944	1.7
55.05493	2.3
55.94283	1.1
57.03455	1.7
60.55284	1.7
67.05499	3.9
69.03434	7.6
69.07076	6.4
69.22707	9.1
70.06609	3.2
71.04980	1.6
75.63282	1.3
79.05493	2.6
81.03404	6.4
81.07059	3.1
83.04970	2.0
85.02901	9.4
87.00813	3.5
87.75574	1.3
89.13916	1.5
91.05466	5.1
93.07037	5.0
95.04987	1.6
95.08608	11.0
97.02890	4.2
99.04478	1.7
105.01861	4.7
105.07054	10.3
107.08607	8.5
109.02843	3.7
109.06531	2.6
113.06017	3.1
117.07029	2.6
119.04926	1.7
119.08575	25.6
121.06503	4.0
121.10144	6.2
123.08092	4.0
123.11741	1.4
126.50793	1.3
127.03941	7.5
131.08562	4.3
133.06375	1.8
133.10103	8.4
135.08054	4.9
135.11687	25.3
137.05930	2.1
137.09599	4.6
137.13222	4.3
139.03888	10.6
145.10129	2.4
146.10902	1.4
147.04408	1.6
147.08064	2.6
147.11682	50.6
149.09602	4.7
153.09117	3.7
159.08080	2.5
161.13254	29.3
163.03874	4.2
163.11169	11.4
165.12750	5.0
167.03354	3.3
171.11719	2.4
172.86179	1.3
174.10371	8.5
179.14235	1.7
189.10977	2.2
189.12735	71.0
207.13792	100.0
208.14171	2.6
225.14838	2.6
229.15512	1.6
446.33478	1.6
459.97128	1.4
490.12823	7.8
490.19846	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80112	1.6
53.03944	1.7
55.05493	2.3
55.94283	1.1
57.03455	1.7
60.55284	1.7
67.05499	3.9
69.03434	7.6
69.07076	6.4
69.22707	9.1
70.06609	3.2
71.04980	1.6
75.63282	1.3
79.05493	2.6
81.03404	6.4
81.07059	3.1
83.04970	2.0
85.02901	9.4
87.00813	3.5
87.75574	1.3
89.13916	1.5
91.05466	5.1
93.07037	5.0
95.04987	1.6
95.08608	11.0
97.02890	4.2
99.04478	1.7
105.01861	4.7
105.07054	10.3
107.08607	8.5
109.02843	3.7
109.06531	2.6
113.06017	3.1
117.07029	2.6
119.04926	1.7
119.08575	25.6
121.06503	4.0
121.10144	6.2
123.08092	4.0
123.11741	1.4
126.50793	1.3
127.03941	7.5
131.08562	4.3
133.06375	1.8
133.10103	8.4
135.08054	4.9
135.11687	25.3
137.05930	2.1
137.09599	4.6
137.13222	4.3
139.03888	10.6
145.10129	2.4
146.10902	1.4
147.04408	1.6
147.08064	2.6
147.11682	50.6
149.09602	4.7
153.09117	3.7
159.08080	2.5
161.13254	29.3
163.03874	4.2
163.11169	11.4
165.12750	5.0
167.03354	3.3
171.11719	2.4
172.86179	1.3
174.10371	8.5
179.14235	1.7
189.10977	2.2
189.12735	71.0
207.13792	100.0
208.14171	2.6
225.14838	2.6
229.15512	1.6
446.33478	1.6
459.97128	1.4
490.12823	7.8
490.19846	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01877	1.1
57.03422	0.5
61.02912	1.1
68.99796	1.1
69.03443	3.4
69.07068	7.5
70.67759	0.6
71.01328	0.4
73.02921	0.8
76.69065	0.5
81.03412	3.6
85.02904	9.1
87.00828	3.4
88.14813	0.4
91.05484	1.5
93.07056	0.7
97.02883	3.9
99.04469	0.9
99.81853	0.5
103.03925	0.4
105.01862	3.3
105.06966	0.7
109.02894	2.4
109.06450	0.6
111.04417	0.6
121.01939	0.4
121.06499	2.3
121.10165	0.5
123.04422	0.9
123.08057	1.4
127.03910	6.8
129.01846	1.3
133.06439	0.6
136.05191	1.0
137.06024	0.8
139.07559	3.6
145.04936	3.4
147.02924	0.7
147.11684	0.4
151.07535	100.0
152.07835	1.2
159.02898	2.1
161.09625	1.1
163.07556	0.4
165.09109	1.6
174.06766	0.7
175.07538	9.1
177.09071	2.1
188.08276	1.2
189.03864	0.7
189.09016	3.4
191.10742	0.4
204.07942	0.5
207.13795	53.9
208.14146	1.2
215.07164	0.5
217.08604	3.8
219.13829	1.6
225.14841	7.9
229.12204	0.6
231.04987	1.6
231.13792	12.6
235.13345	0.6
236.73576	0.5
243.10301	0.6
243.13838	1.1
249.14821	6.2
259.09662	0.6
273.14835	7.4
291.16074	2.5
297.14774	2.9
315.15887	6.1
333.16861	0.5
363.10709	0.9
401.15799	0.8
404.16583	0.5
419.16934	3.0
421.12097	0.4
437.28455	0.6
455.18802	0.5
457.81699	0.5
490.21014	0.6
490.34302	0.8
491.19153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01795	0.8
53.03933	4.1
55.01867	3.6
55.05501	3.9
56.24731	1.0
57.03420	2.8
61.02906	3.2
67.05500	2.3
68.99792	1.3
69.03427	100.0
69.21832	4.9
70.03755	1.1
71.04977	2.2
73.02905	2.7
79.05471	2.1
81.03416	13.7
81.07046	3.3
83.04987	3.6
85.02408	1.8
85.02903	33.3
87.00822	13.5
87.04451	1.9
88.99955	1.0
89.06025	1.8
91.03983	1.3
91.05476	2.7
93.07051	3.5
95.04953	1.7
95.08593	6.1
97.02887	16.5
97.06508	1.2
99.04453	7.3
99.08092	1.3
103.05446	1.0
105.01862	17.0
105.07021	13.7
107.08564	3.1
109.02882	16.1
109.06507	3.4
115.03869	1.2
117.01852	1.3
119.08551	5.3
121.06512	1.7
121.10142	48.3
123.08065	68.0
123.11696	1.2
124.08426	1.1
125.09621	2.8
127.03909	33.2
129.01826	2.5
131.08557	2.9
131.32770	1.0
131.84088	1.0
133.06441	1.3
133.07582	1.7
133.08543	1.3
133.10136	2.7
135.11647	2.5
137.05992	1.1
137.09590	1.6
137.13217	2.5
139.03941	2.0
145.04947	12.8
145.10077	1.3
147.02869	1.4
147.08064	2.1
147.11673	3.7
149.09593	5.6
151.07526	6.5
151.11174	3.0
159.02893	8.2
159.08160	1.2
161.09592	1.2
161.13240	4.6
163.03947	1.4
163.11177	28.5
165.12756	18.5
167.10648	1.4
171.11687	1.8
174.10506	1.1
181.12210	3.7
189.03845	1.5
189.12740	17.1
191.14302	1.6
192.49896	1.2
203.06775	1.1
207.13795	76.1
208.14091	1.1
213.03932	2.4
223.96838	1.0
225.14845	22.8
228.27280	1.0
231.04945	8.6
243.31189	1.0
249.06033	1.7
252.83005	1.0
328.12585	2.9
431.19577	1.1
446.20813	6.3
473.20258	1.0
490.23349	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43009	1.2
53.03948	2.3
55.01876	4.1
55.05511	3.8
57.03428	2.1
61.02927	3.2
66.17421	1.2
67.05497	1.3
68.99797	2.3
69.03429	11.6
69.07097	1.4
69.83984	2.3
71.04996	1.9
77.80412	1.1
81.03417	10.3
85.02906	35.7
86.64922	1.3
87.00825	13.7
91.05475	1.9
95.08638	1.2
97.02880	7.3
99.04467	3.5
100.11249	1.8
103.03991	1.6
105.01868	11.0
109.02892	8.6
123.04427	100.0
127.03922	15.2
129.01871	2.5
137.05969	8.2
139.03958	1.4
145.04999	6.2
147.04407	39.2
149.02380	2.0
149.06001	1.3
159.02948	5.1
161.06000	5.5
163.07503	1.7
165.05472	19.7
166.70918	1.3
171.02878	1.4
173.06075	1.5
175.07599	1.9
189.03952	2.1
189.05414	9.8
203.14453	1.4
207.10545	2.1
207.13803	56.5
208.14052	1.3
213.05492	2.9
223.13298	1.4
225.11252	1.3
231.04794	1.8
231.06766	2.3
231.13797	38.4
231.16035	2.2
243.13831	2.4
245.15446	2.0
249.14861	28.4
255.13976	1.6
267.15887	2.1
269.15591	1.8
273.14847	18.4
297.14880	7.4
315.15839	14.1
347.16464	1.3
503.98862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81913	1.2
53.03944	3.4
53.53309	1.3
55.01865	2.9
55.05511	5.2
55.42307	1.3
57.03429	4.0
67.05493	3.8
69.03419	6.3
69.07053	1.9
69.87953	2.6
69.88280	1.5
70.06601	1.9
71.04992	2.5
73.02906	2.2
79.05485	3.4
81.03408	8.2
81.07068	7.8
83.04990	7.1
83.08577	2.0
85.02908	33.3
85.06541	1.7
87.00826	8.6
87.83665	1.2
89.06045	6.0
91.05479	3.2
93.07055	4.3
95.04955	2.7
95.08599	5.2
95.86655	1.1
97.02892	10.9
97.06543	2.8
99.04449	4.7
105.01881	8.1
105.07037	7.9
107.08600	9.9
109.02878	9.9
109.06538	12.3
109.10137	5.1
111.04460	1.6
111.08092	3.9
116.07075	2.0
119.08599	6.3
121.10149	13.3
123.04423	3.2
123.08047	4.4
123.11716	18.3
125.09715	1.6
127.03930	16.0
129.01791	1.5
131.08551	2.3
133.08591	3.5
133.10120	3.1
135.08025	2.6
135.11702	2.2
137.09613	25.0
137.13280	1.5
137.94513	1.1
141.38336	1.2
145.04956	6.8
145.10115	1.7
147.04408	2.5
147.11694	20.4
149.02298	2.0
149.09639	6.9
151.07576	3.2
151.97566	1.3
159.02948	2.5
161.09564	2.4
161.13309	7.4
163.03975	2.3
163.11185	2.6
165.09093	3.0
165.12758	100.0
166.13069	1.9
171.11682	1.7
174.10374	3.5
177.11180	1.5
179.10777	1.2
179.14331	10.7
189.12747	21.5
189.16405	1.5
207.13802	70.5
208.14186	2.0
213.03894	2.6
218.89229	1.4
225.11150	2.5
225.14828	4.2
231.04968	5.3
287.05463	9.1
383.00537	1.4
468.94089	1.7
489.33499	1.5
490.16953	2.7
490.23334	4.5
490.34473	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71250	0.2
54.53592	0.2
66.92574	0.2
67.93591	0.2
69.07057	1.0
69.96494	0.2
70.61443	0.3
79.05482	0.5
81.03400	0.3
85.02906	0.4
91.05459	1.9
93.07025	0.7
95.04948	0.4
95.08594	0.3
103.05457	0.3
108.05730	0.6
109.06513	0.5
121.06493	1.5
123.08053	1.0
136.05196	1.3
137.05960	0.3
139.07523	0.6
144.70911	0.2
151.07530	100.0
152.07890	1.6
157.11720	0.3
159.02962	0.3
165.09094	0.4
205.12343	0.3
207.13791	45.2
208.14151	1.3
231.13791	0.3
235.13367	0.4
297.14667	0.3
315.15906	0.6
449.94867	0.2
490.34521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21794	0.7
55.05531	1.0
57.03438	1.0
60.04524	2.4
60.86854	0.9
61.02936	1.2
67.05502	1.5
69.03416	6.2
73.02921	1.0
79.05498	2.8
81.03419	1.9
81.07053	43.4
84.04500	42.9
85.02900	4.0
87.00819	1.2
87.04440	4.3
88.07642	0.9
95.08601	7.0
96.04491	3.1
97.02885	5.3
98.06060	3.4
107.08569	1.0
109.02885	1.6
115.03931	2.3
123.04413	4.4
126.05511	71.5
127.03916	1.8
133.05005	2.1
137.05981	3.0
137.13261	7.5
138.05499	26.8
139.03923	1.4
139.11256	0.8
144.06505	4.9
147.04420	1.8
149.06015	1.9
151.07475	1.1
152.05692	1.7
163.07512	1.9
168.06570	9.9
186.07625	9.4
193.12267	4.2
204.08669	100.0
205.08969	1.9
222.09808	2.0
231.13821	2.1
328.03494	1.5
336.12848	12.3
358.22232	3.9
447.59616	1.0
490.19675	1.5
503.69266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.2
58.31797	1.9
67.05506	10.4
69.07062	5.9
69.27374	10.0
79.05522	2.4
81.07043	9.5
83.08623	5.1
85.02907	2.1
93.07053	4.8
95.08604	6.2
105.07069	2.9
107.08592	4.1
109.10181	4.1
111.08095	2.1
113.02356	9.7
119.08515	2.8
121.06565	2.0
121.10133	3.7
125.06003	3.5
135.11687	3.0
137.06035	3.7
139.03914	2.0
141.01831	54.9
145.10120	2.8
148.34515	2.0
149.05968	2.3
151.07556	14.7
153.05530	3.8
158.02161	3.2
163.07567	5.4
173.04462	100.0
177.09123	2.4
187.02368	4.2
201.03955	8.9
299.20108	2.2
301.23740	9.1
306.91895	2.8
317.21198	2.8
317.24741	3.5
335.22229	2.5
363.21762	4.9
387.32626	5.1
395.24203	6.5
423.23752	79.1
424.24451	3.1
441.24893	36.0
442.25302	3.0
455.27457	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	490.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.05511	1.9
62.06650	0.8
64.89785	1.0
65.03957	1.1
67.05510	4.5
68.99476	1.0
68.99780	5.1
69.07081	1.1
69.25443	5.0
74.23849	1.0
79.05490	3.0
81.07056	7.7
91.05491	2.0
93.07027	1.8
95.04955	3.0
95.08608	4.1
97.06543	2.8
105.07010	1.5
107.04950	4.0
109.06534	1.5
111.04433	2.1
112.44304	1.0
121.06520	6.6
123.04427	23.7
125.05985	54.6
127.07384	0.9
131.04950	1.0
133.06485	1.9
135.08054	3.8
137.05971	26.9
139.03893	3.3
147.04468	1.1
149.05972	98.5
150.06306	1.9
151.07547	2.0
153.05461	67.3
154.05783	1.1
161.06032	4.6
163.07536	43.7
165.05556	1.6
167.06985	1.4
175.07553	3.2
177.09097	8.2
179.07013	4.7
189.09045	1.9
193.08609	4.5
203.10649	1.4
243.06432	1.6
257.08188	1.2
285.20416	1.0
301.21722	2.6
330.70963	1.0
409.23743	4.3
423.25351	8.2
441.26364	100.0
442.26663	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95803	1.8
55.05511	2.3
57.07077	7.7
58.07417	2.9
58.43209	1.8
65.03929	2.3
67.05511	7.3
69.35194	2.0
69.35477	9.4
70.25364	2.0
77.96505	2.2
79.05495	3.0
81.07057	4.1
89.06036	10.7
90.06375	1.9
91.05457	3.1
93.07021	1.7
95.04996	3.8
95.08599	5.3
97.06522	2.0
103.05489	4.0
105.07056	2.5
107.04972	8.6
111.73616	2.1
117.07069	2.1
121.06491	10.6
122.06848	2.0
123.04437	5.0
123.08054	2.2
125.05997	52.6
133.06512	4.2
133.08618	2.1
134.08945	2.4
135.08037	6.5
137.05981	35.7
139.03935	3.2
147.08151	2.6
149.02347	2.8
149.09615	4.3
151.07550	31.2
153.05470	53.2
153.06668	4.2
161.05989	3.7
162.06793	2.5
163.07549	100.0
165.09151	2.9
175.07587	2.5
177.09106	38.1
179.07051	4.5
191.10703	6.3
193.04889	4.5
193.08682	6.2
278.21899	2.9
279.22260	2.3
315.23209	3.3
360.21054	4.5
361.21243	9.3
387.32703	2.4
423.25494	4.2
437.26807	7.2
455.27957	99.3
456.28143	4.8
473.34253	8.9
490.38968	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	490.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18695	8.2
55.30087	6.0
63.02957	6.6
64.20084	7.4
67.05493	10.9
69.07037	17.0
69.13448	30.1
69.13869	19.8
71.45229	6.7
80.27526	6.8
81.07049	22.3
85.84268	6.5
93.07050	9.3
95.08608	17.1
97.10152	8.3
107.61933	8.0
109.10150	10.5
123.11743	9.6
135.11787	11.2
137.05977	7.5
151.07538	21.5
167.07043	56.0
189.09082	14.4
217.12122	11.6
378.44348	7.6
427.31848	17.0
445.33008	100.0
468.62057	6.7
471.49783	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	490.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03713	0.3
55.05510	2.9
67.05506	3.1
67.79168	0.3
69.07060	1.5
70.10367	0.7
79.05495	0.3
81.07053	2.5
83.08612	1.0
87.04456	0.9
93.07028	0.5
95.08607	3.9
97.10165	0.8
98.23279	0.5
104.07108	1.7
105.07026	1.0
109.10133	0.8
123.08070	6.4
123.11720	0.5
135.08101	0.4
137.05969	3.4
139.07521	0.5
146.08046	0.5
149.09627	0.3
151.07539	100.0
152.07889	1.2
159.08115	0.6
160.43738	0.3
163.07538	1.9
163.11261	0.3
165.09097	1.4
176.08289	0.5
177.09111	11.4
179.17969	0.3
191.10660	10.0
205.12248	3.2
207.13808	0.8
219.13814	3.2
221.15392	3.4
233.15364	0.7
235.17030	0.4
247.16975	1.2
261.18491	0.7
290.56033	0.3
317.24747	14.4
318.25336	0.3
350.74414	0.3
355.93561	0.3
377.19757	0.4
379.52756	0.3
387.32562	32.1
388.32944	1.3
423.23584	0.4
490.22571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.1
57.07064	2.0
65.46735	0.8
67.05504	3.9
69.07066	7.8
69.43581	4.0
79.05499	1.9
81.07063	4.4
83.04975	4.6
83.08620	4.3
84.79013	0.8
91.05486	2.7
93.07045	2.3
95.04964	1.2
95.08615	4.7
97.10168	2.2
98.22726	1.8
98.23380	1.5
101.61575	1.0
105.07014	1.5
107.08601	2.0
109.06518	1.7
109.10144	2.0
118.79064	0.8
119.08553	1.8
121.06505	1.2
121.10147	2.1
123.04404	6.0
123.08006	0.8
123.11674	1.1
125.06002	2.7
135.04414	1.4
135.11664	1.1
137.05972	100.0
139.07457	0.9
140.61658	0.7
145.10114	1.2
147.08028	1.0
149.05986	5.7
149.09683	1.2
151.07573	3.5
153.05473	6.5
159.11835	1.0
163.07523	13.5
165.09103	1.4
166.07457	1.0
172.95128	0.9
177.09109	19.0
188.92522	1.1
191.10686	5.0
191.36575	0.9
205.12239	4.2
207.13770	2.6
233.15315	0.9
247.17067	1.9
255.21138	0.9
256.21573	0.9
261.18527	2.7
266.19876	2.0
275.19995	3.1
283.20679	1.9
284.20807	3.0
289.21674	1.0
302.22018	2.9
321.10419	0.9
331.26306	31.1
331.30264	1.5
332.26401	1.1
401.28986	1.7
401.34109	23.8
427.94235	0.9
441.26422	1.3
449.19601	1.7
455.28018	0.9
487.42923	1.0
491.31488	1.5
514.41895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1525
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
69.28910	4.9
69.29312	6.8
71.44804	2.1
76.46069	1.9
81.07076	2.4
91.05492	2.3
98.22733	4.9
121.06503	2.2
125.14414	2.1
130.64894	1.7
136.07449	1.9
136.32515	2.0
137.05971	3.7
160.03954	2.1
168.61165	2.0
178.04942	9.4
183.64522	2.1
203.69730	1.9
205.12244	9.5
206.12607	11.4
207.12831	6.9
208.13072	2.3
243.04784	2.2
243.09941	3.4
245.06409	2.3
254.12428	2.0
287.03714	5.5
289.05301	7.1
292.63815	1.9
334.11749	2.0
405.14783	2.4
447.10645	2.0
447.16351	30.8
476.51315	2.3
491.15146	100.0
491.21271	3.9
492.15903	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	491.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01871	11.2
55.05506	8.2
57.03428	7.4
61.02911	6.1
67.05496	7.6
67.12132	2.2
68.99783	4.1
69.03429	26.9
69.07087	4.4
71.04990	6.2
72.87651	2.2
73.02925	11.1
79.05505	5.4
81.03414	36.8
81.07057	10.2
83.08592	5.6
83.58469	3.0
85.02903	100.0
85.66904	2.2
87.00826	28.1
91.03920	3.1
91.05453	6.3
92.41478	2.2
93.07050	4.4
95.04994	3.5
95.08606	8.2
97.02890	41.3
97.10148	6.4
99.04457	17.8
103.50016	2.1
105.01866	39.4
105.07034	4.0
107.04955	3.1
107.08602	7.5
109.02880	42.0
109.10159	4.3
117.01865	3.8
119.08553	3.5
121.02865	2.5
121.06455	2.1
121.10155	3.2
125.09591	3.9
127.03910	90.6
129.01808	3.6
133.10110	3.8
135.11749	2.5
145.04948	70.0
145.06160	4.3
145.10089	2.2
147.02892	3.8
149.02338	18.9
149.03360	3.4
153.06958	3.8
159.02890	38.2
165.09073	5.4
177.03957	3.0
180.08072	6.5
181.06485	44.4
193.04933	11.0
199.07474	2.4
208.07518	11.5
213.03912	4.5
219.13828	4.2
231.04985	30.7
237.07545	14.8
249.06097	2.5
429.11673	5.4
459.27725	2.8
473.14429	7.4
490.31290	6.5
491.31100	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	491.189
Annotation	Toonaciliatin J
Peak:m/z	Relative Intensity
67.48145	0.4
78.61107	0.4
93.50827	0.5
106.58683	0.5
111.94940	0.3
122.63494	0.3
127.03870	0.4
147.00592	0.4
151.07495	2.7
152.07909	1.5
162.02907	2.7
169.04747	0.8
181.04910	0.6
185.62395	0.4
207.10019	0.5
207.13756	0.4
208.14201	1.7
229.17392	0.4
236.88704	0.4
289.08932	0.4
345.18161	0.4
351.14120	1.1
378.47443	0.4
491.18857	100.0
492.19168	3.3
504.99878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2253
Annotation	Sudachinoid A
Peak:m/z	Relative Intensity
51.12109	0.9
53.97521	0.7
67.05498	1.3
69.58409	2.6
70.52840	0.7
79.05484	1.6
81.07063	1.5
91.05464	2.3
93.07042	1.1
95.08593	1.8
103.94815	0.9
105.07013	0.9
107.08582	0.9
110.74397	0.8
119.01997	0.9
119.08630	1.5
133.10138	1.3
143.01921	0.9
147.11748	0.9
172.75581	0.7
221.96205	0.8
229.01904	1.3
243.04935	1.8
245.06322	1.4
287.03687	8.1
289.05408	5.2
447.23526	6.9
491.22525	100.0
492.22675	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	491.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94699	0.5
53.17711	0.4
69.81889	1.7
70.06609	0.5
74.25297	0.5
83.75799	0.4
88.07637	1.0
98.22745	0.9
105.21256	0.5
114.91028	0.6
123.04484	0.5
137.05933	0.6
151.07515	1.2
175.07634	0.5
183.46144	0.5
195.12700	0.7
255.71420	0.5
256.26477	0.9
267.37503	0.5
306.92047	0.7
456.93365	0.5
491.27667	100.0
492.28009	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	491.2982
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
55.02111	0.5
56.09634	0.5
58.76936	0.6
67.05514	1.2
69.57561	2.6
81.07088	0.7
93.22264	0.6
109.10158	0.7
188.92500	1.2
226.93951	0.8
272.04626	0.7
277.89548	0.6
282.08948	0.8
295.09625	1.2
296.10321	0.6
399.24893	0.8
415.24084	0.6
429.29736	6.3
443.23901	2.0
445.29099	2.0
461.25128	2.9
473.17789	1.3
473.28738	3.9
476.27316	2.3
491.29874	100.0
492.30353	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	491.3004
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03935	1.2
55.05505	6.8
57.03453	1.3
59.63816	0.9
65.51762	1.1
67.05505	8.6
69.03410	2.3
69.07069	4.7
71.05002	1.4
71.93810	0.9
74.47882	1.0
79.05479	6.8
81.03423	1.2
81.07052	15.0
83.01350	1.5
83.08617	3.0
85.06553	1.5
91.05490	3.5
93.07040	13.1
95.04975	1.4
95.08606	14.7
96.08926	1.1
97.06536	1.2
97.10162	1.4
99.00816	6.6
99.04450	6.1
105.07018	6.0
107.04991	2.4
107.08580	11.1
109.06523	2.0
109.10140	7.9
113.02399	1.7
116.39149	1.0
117.07036	1.1
119.08595	3.6
121.06521	1.3
121.10136	8.9
123.08056	2.4
123.11716	4.1
125.05978	1.2
127.03854	1.1
131.08565	1.8
133.06509	1.1
133.10162	3.7
135.04492	1.2
135.08038	1.1
135.11711	4.7
137.06000	1.3
139.07523	1.2
143.08545	1.1
145.10139	3.8
147.11671	2.5
149.02374	1.0
149.06042	1.5
149.09615	2.2
149.13260	2.2
151.07561	3.1
153.05408	1.6
157.10164	1.1
159.11732	2.8
161.05954	1.4
161.09569	1.1
161.13179	1.4
163.03934	1.5
163.07533	1.4
163.11203	2.3
163.14861	2.2
165.05412	1.2
165.09180	1.9
167.10713	1.3
171.08060	1.9
173.13274	2.3
175.07593	3.1
177.05495	7.0
177.09119	1.5
177.12891	1.1
179.10693	1.4
181.04964	11.8
183.06604	3.7
189.09094	16.9
191.07082	1.4
191.10759	1.1
195.06519	26.8
201.16536	0.9
203.10748	3.5
207.06566	2.8
209.08083	12.8
221.08174	2.1
223.09665	17.2
235.09645	3.9
237.11177	14.3
247.09575	1.7
249.11237	17.1
251.12830	2.9
263.12839	4.1
265.14340	2.1
273.18591	1.5
277.14371	2.2
289.14288	1.9
291.16092	1.4
303.15936	1.2
305.17697	1.0
317.17615	2.0
367.22794	1.6
455.28049	4.3
459.27600	3.1
473.28970	100.0
474.29276	4.0
491.30069	63.6
492.30469	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	491.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01840	1.8
55.05519	22.0
56.08801	1.6
57.03450	2.5
57.07076	10.4
62.16119	1.4
67.05509	26.3
69.03426	5.0
69.07072	56.7
70.07387	2.1
70.46614	2.6
71.08635	5.5
73.02947	1.8
79.05495	12.8
81.03411	3.5
81.07063	85.1
82.14176	1.5
83.08621	27.7
85.02906	13.8
85.06546	12.2
85.10178	2.2
87.00816	1.6
87.08120	2.3
91.05482	5.3
93.07054	14.0
95.04997	2.4
95.08610	100.0
97.02903	3.2
97.10182	18.0
97.98743	1.6
99.08099	6.0
105.01875	2.7
105.07032	5.0
107.04979	1.7
107.08591	15.6
109.02920	2.5
109.10165	58.2
111.08060	2.3
111.11726	15.2
113.09635	1.9
113.31740	1.9
116.51034	1.8
117.07037	2.0
119.08542	1.9
121.02870	7.2
121.06518	1.9
121.10136	9.6
122.03211	3.0
123.11724	27.2
125.09628	1.9
125.13248	10.3
127.03913	4.2
127.11197	3.0
128.04308	1.8
129.12807	2.8
131.08569	2.2
133.10139	2.5
135.11700	10.4
137.05844	1.9
137.13254	18.5
139.03897	15.4
139.11229	1.8
139.14853	2.8
140.04210	9.3
141.30658	1.8
143.14322	3.4
145.05011	2.1
149.13263	21.3
151.14827	26.5
153.12706	2.1
155.14331	2.3
159.11673	1.9
163.14847	13.3
165.16412	10.7
169.15892	3.0
177.16454	3.0
179.17953	5.1
183.17464	2.3
187.14879	1.7
191.17949	1.9
193.19588	3.7
199.20523	1.8
205.19601	3.7
207.21100	2.1
219.20892	3.0
225.96782	1.6
249.25826	2.5
275.24762	1.5
275.27371	10.3
277.42520	1.5
281.28415	4.5
293.28409	22.8
311.29453	11.4
327.39923	1.6
329.30432	2.7
332.02533	1.7
340.07874	2.3
410.46841	1.6
425.84195	1.9
447.16272	2.7
491.15292	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	491.3731
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
55.05509	17.8
57.07070	9.5
62.21181	5.4
63.52561	5.7
67.05499	33.6
69.07053	31.3
71.04999	8.4
71.43165	6.3
79.05492	21.1
81.07056	55.6
83.04983	7.8
83.08614	23.8
85.06544	38.7
91.05492	14.3
91.17709	4.8
93.07036	43.7
93.40456	5.3
95.08602	77.6
97.06508	13.3
97.10150	9.5
99.08096	11.2
105.07037	38.5
107.08597	67.4
109.06542	6.5
109.10135	65.4
111.08060	47.7
112.86250	5.0
117.07012	5.6
119.08570	47.6
121.10152	61.6
123.08060	6.5
123.11703	29.2
125.09614	57.3
131.08566	10.6
133.10126	78.7
135.11668	41.4
137.09561	7.2
137.13266	21.7
139.07571	12.4
139.11208	6.8
141.87114	5.3
145.10098	28.5
147.11646	39.5
149.09608	8.4
149.13239	26.2
151.11160	9.1
157.08620	35.3
157.09904	6.9
159.11710	24.4
161.13322	27.9
163.11131	7.7
163.14819	11.8
165.12727	9.9
171.10260	8.9
171.11673	10.3
173.13287	19.9
175.14758	26.7
177.12727	6.4
177.16452	13.6
179.14330	10.4
187.14850	14.0
189.12724	5.9
189.16350	17.3
191.14360	6.8
199.14851	8.3
201.16389	13.2
203.17897	9.4
207.17500	9.4
215.18076	9.3
219.17488	32.7
233.19006	11.6
235.16756	6.4
245.19148	7.3
253.18010	6.4
301.25214	7.5
345.27841	19.1
367.29840	7.8
380.59393	6.1
403.31992	55.9
409.34546	15.9
427.35669	19.2
429.36993	8.9
437.34018	8.2
447.38388	11.4
455.35168	27.5
467.62100	5.5
473.36243	100.0
474.36847	8.3
485.52734	5.6
491.37216	40.5
492.37476	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	492.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01873	6.7
57.03436	4.2
61.02938	3.9
69.03425	20.1
71.44963	2.5
73.02910	5.3
78.30996	2.8
79.01848	3.4
79.05473	2.4
81.03421	14.3
85.02905	46.1
87.00824	16.7
87.04491	2.7
87.59944	2.3
92.39205	2.3
93.07012	2.0
97.02894	17.0
99.04482	7.3
103.03959	3.6
105.01866	12.3
107.04942	4.0
107.08621	2.9
109.02867	17.7
111.04451	4.1
119.04944	3.8
119.08567	4.8
121.02823	2.7
121.06545	6.6
123.04453	7.5
125.02333	2.6
127.03907	27.5
130.55998	1.9
131.04964	3.8
133.06552	2.3
135.08096	2.7
137.05995	2.2
139.03894	35.6
143.03398	6.4
145.04971	11.8
145.06508	5.9
147.04393	12.7
149.06020	8.8
149.79854	2.1
151.03888	5.8
153.01830	100.0
159.02899	6.9
161.06020	7.6
163.03931	10.0
163.07594	12.5
165.05492	18.6
165.06721	3.0
166.60544	2.1
167.07042	2.6
171.04449	8.9
173.06024	4.6
175.03940	8.2
175.07578	4.3
175.14815	8.6
177.05544	3.0
179.03467	6.6
181.04985	8.5
181.08595	5.9
187.07513	4.4
189.03920	3.3
189.05461	37.2
191.06984	5.3
193.04964	19.3
201.05490	2.6
203.07008	2.5
205.04994	18.9
207.02882	2.6
209.08081	30.7
213.05516	4.5
214.84648	2.6
215.07048	5.4
217.05002	13.6
227.09126	32.2
229.05287	2.2
231.04662	3.2
231.06618	6.9
233.08099	33.9
235.06039	30.2
241.05003	4.2
243.06566	3.8
247.06061	9.0
251.09158	39.6
259.06000	15.8
261.07608	7.1
269.10281	10.3
275.09073	6.5
277.07098	8.1
278.50296	2.2
285.97482	2.2
287.05640	10.3
293.10226	13.1
295.08102	9.3
299.09146	4.0
305.06570	17.6
313.09241	42.2
317.10193	12.0
331.08179	22.8
403.10114	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	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.05601	0.4
54.88848	0.4
55.01865	0.5
56.89856	0.4
57.03174	0.7
57.03433	7.0
57.03698	0.8
59.04976	0.5
59.46975	0.4
61.02927	3.1
69.03421	7.6
69.44256	1.6
71.01358	0.6
71.04990	0.7
73.02915	12.2
75.53819	0.4
81.03413	1.7
85.02901	15.4
87.04434	0.8
91.03948	0.7
95.04966	26.1
95.52106	0.4
96.05257	0.5
97.02889	11.7
99.04449	0.8
103.03945	0.3
105.04477	0.5
107.05000	0.4
109.02863	1.5
115.03927	7.0
121.02859	2.8
127.03918	4.3
133.04956	1.7
133.10143	0.9
137.05998	0.5
139.03893	62.5
140.04190	0.7
145.04958	4.9
150.07596	0.9
157.04922	0.4
163.06041	1.8
163.07510	21.4
174.06841	0.5
181.08586	100.0
182.08917	1.6
186.98602	0.4
189.09103	0.5
193.04872	0.4
199.09576	0.5
219.10112	2.9
222.11314	0.5
222.38678	0.4
223.06009	0.8
241.07056	1.1
259.09729	0.6
279.23108	0.4
295.09857	0.7
325.12799	4.2
343.14050	2.0
423.97070	0.4
434.14951	0.4
449.15149	0.9
492.30096	0.9
493.14542	3.3
518.73096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05506	4.2
57.03438	2.4
67.05486	2.6
69.03419	7.2
69.07066	1.7
71.04987	17.9
79.05491	3.7
81.03419	2.2
81.07054	3.6
83.04978	2.0
85.02895	5.6
85.06564	1.3
86.29659	1.3
87.00831	1.6
91.05487	8.0
93.07039	5.8
95.04966	6.4
95.08610	4.0
97.06497	2.1
98.23442	3.3
99.04453	58.1
105.07023	62.5
107.04924	1.5
107.08578	4.9
109.02859	2.0
109.06535	2.6
109.10162	3.7
111.08046	1.4
119.08579	5.1
121.06491	5.1
121.10148	1.7
123.04401	1.7
123.08066	8.4
123.11698	3.0
127.03860	1.9
128.06230	3.0
133.06468	7.8
133.10124	46.7
135.11671	1.8
137.05980	1.4
139.03973	1.9
143.08556	3.9
145.04977	1.4
145.10100	4.6
146.07263	4.6
151.07515	5.4
151.11166	5.8
153.09042	1.3
153.32971	1.3
161.09613	100.0
162.09918	2.8
163.11179	19.6
164.07048	2.2
165.09192	1.8
167.14351	2.6
171.08066	1.7
172.15894	1.4
179.10664	38.0
179.14304	1.9
189.09096	18.2
191.14301	2.4
207.10167	17.4
207.13940	1.6
209.04404	2.6
209.15404	15.4
225.11217	5.3
225.14796	2.5
227.16304	1.9
268.43884	1.4
281.13757	13.1
299.14771	6.8
331.08008	2.2
377.81900	1.3
383.13284	3.2
476.84732	1.4
492.25320	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	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57444	0.6
53.03935	1.1
53.86575	0.6
55.01887	0.7
55.05504	1.0
57.03442	1.2
60.04520	0.8
60.67105	0.7
61.02913	1.6
69.03425	7.0
70.33881	1.2
71.04992	6.3
73.02895	0.9
77.03989	0.6
79.05482	1.9
81.03416	2.3
85.02408	1.2
85.02906	19.6
91.03948	0.7
91.05481	9.0
93.07030	3.4
95.01317	1.6
95.04970	0.9
97.02882	4.9
99.04447	2.8
103.03893	0.8
103.05477	1.0
104.04992	0.8
105.07024	27.6
105.07732	1.7
107.04948	0.8
107.08628	0.9
109.02847	1.0
117.07029	2.0
119.08581	21.3
121.06519	1.5
123.04380	1.1
123.11695	1.2
127.03902	5.4
128.06284	0.8
129.06982	0.9
131.08540	1.6
133.10127	100.0
134.05992	0.8
134.10474	1.6
136.07559	1.5
137.05992	1.8
137.09549	1.0
139.03841	0.8
141.01833	2.0
143.08571	4.4
145.04945	8.9
146.07256	1.6
147.08044	10.6
147.11636	1.2
149.06026	0.7
149.09741	0.9
160.03957	1.2
161.08247	1.3
161.09612	27.5
162.05481	2.6
163.06006	2.9
165.09148	0.8
175.11205	0.9
178.04974	7.3
179.10674	3.0
189.09097	2.7
189.70718	0.6
195.08066	0.7
207.10156	70.1
208.10542	2.6
209.11607	1.0
267.46466	0.8
281.13882	2.0
299.14978	3.5
328.20853	0.7
330.26315	1.8
331.08383	0.9
347.07669	7.3
355.69687	0.7
383.13400	3.6
492.31650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57444	0.6
53.03935	1.1
53.86575	0.6
55.01887	0.7
55.05504	1.0
57.03442	1.2
60.04520	0.8
60.67105	0.7
61.02913	1.6
69.03425	7.0
70.33881	1.2
71.04992	6.3
73.02895	0.9
77.03989	0.6
79.05482	1.9
81.03416	2.3
85.02408	1.2
85.02906	19.6
91.03948	0.7
91.05481	9.0
93.07030	3.4
95.01317	1.6
95.04970	0.9
97.02882	4.9
99.04447	2.8
103.03893	0.8
103.05477	1.0
104.04992	0.8
105.07024	27.6
105.07732	1.7
107.04948	0.8
107.08628	0.9
109.02847	1.0
117.07029	2.0
119.08581	21.3
121.06519	1.5
123.04380	1.1
123.11695	1.2
127.03902	5.4
128.06284	0.8
129.06982	0.9
131.08540	1.6
133.10127	100.0
134.05992	0.8
134.10474	1.6
136.07559	1.5
137.05992	1.8
137.09549	1.0
139.03841	0.8
141.01833	2.0
143.08571	4.4
145.04945	8.9
146.07256	1.6
147.08044	10.6
147.11636	1.2
149.06026	0.7
149.09741	0.9
160.03957	1.2
161.08247	1.3
161.09612	27.5
162.05481	2.6
163.06006	2.9
165.09148	0.8
175.11205	0.9
178.04974	7.3
179.10674	3.0
189.09097	2.7
189.70718	0.6
195.08066	0.7
207.10156	70.1
208.10542	2.6
209.11607	1.0
267.46466	0.8
281.13882	2.0
299.14978	3.5
328.20853	0.7
330.26315	1.8
331.08383	0.9
347.07669	7.3
355.69687	0.7
383.13400	3.6
492.31650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12758	1.1
50.75221	1.0
53.03945	3.7
53.40545	1.0
55.01867	2.7
55.05503	6.1
57.03434	4.6
57.07064	2.2
57.44477	1.0
59.05020	1.6
61.02926	3.4
63.47318	1.2
64.55992	1.1
67.05498	2.8
69.03426	16.4
69.07065	4.7
70.63279	1.3
70.63622	2.0
71.04997	7.2
73.02908	2.9
74.19598	1.3
74.65150	1.0
79.05496	4.1
81.03414	8.6
81.07053	12.2
83.04979	3.7
83.08616	5.6
85.02902	32.2
85.06540	4.3
87.00834	17.5
91.05476	5.9
93.07036	10.6
95.04967	20.6
95.08611	8.8
97.02900	11.7
97.06526	20.1
97.10117	1.4
99.04459	9.6
99.08088	3.9
105.01871	15.7
105.07029	20.1
107.08595	15.2
109.02876	8.7
109.06511	42.7
109.10157	12.7
111.08060	3.3
115.07565	7.2
117.07008	1.6
119.08582	11.4
121.10136	21.8
123.08068	10.4
123.11718	4.2
125.09630	2.8
127.03908	20.6
127.07549	1.5
131.08562	12.8
133.10124	62.7
135.08057	9.2
135.11755	2.6
137.06030	2.2
137.09593	2.5
139.03928	1.6
139.11223	2.9
145.04959	7.5
145.10132	5.2
147.11676	29.9
149.09637	1.5
149.13245	4.5
151.07565	3.4
151.11177	3.1
153.09100	19.4
158.10931	3.6
159.02895	4.4
161.09592	2.1
163.11205	3.2
163.14832	5.3
164.31651	1.1
165.12744	10.5
167.14316	1.2
171.10170	4.3
173.11671	1.5
173.13243	32.4
175.14755	2.5
181.39757	1.1
189.03973	1.3
191.14308	55.2
209.15361	100.0
210.15765	2.7
227.16408	97.6
228.16769	1.6
231.05026	3.9
249.06102	1.3
287.12869	1.5
331.07968	2.6
439.19482	2.3
492.24176	1.6
492.30429	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.2
53.03942	0.3
55.01874	0.6
55.05504	0.3
57.03436	1.3
59.04966	0.2
61.02921	2.3
61.34119	0.1
67.05495	0.2
69.03429	4.1
71.01337	0.3
71.04996	0.4
73.02917	0.6
79.05489	0.7
81.03410	1.9
85.02900	25.5
85.75051	0.2
87.04495	0.4
91.03957	1.0
91.05476	3.7
93.07055	0.8
95.04958	0.2
97.02888	7.2
99.04455	1.2
103.05453	0.3
105.07021	18.9
106.07358	0.3
107.08609	0.2
109.02871	2.0
115.03919	0.6
115.05436	0.4
117.07025	1.1
118.07813	1.5
119.08568	0.3
127.03908	5.9
129.07016	0.2
131.08592	1.5
133.10120	100.0
134.10440	1.2
139.03926	0.3
143.08531	0.2
145.04953	10.4
147.08078	0.5
147.11688	0.8
158.84981	0.2
159.11797	0.1
161.09648	0.9
163.06015	4.6
175.11240	0.3
180.08711	0.2
184.06697	0.2
207.10190	0.7
259.13339	0.4
271.08218	0.2
277.14313	0.4
277.17862	0.2
289.09268	0.2
295.19040	0.3
325.11169	0.5
338.52182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15969	1.9
53.03939	3.6
55.01868	3.9
55.05515	8.3
57.03429	5.7
57.07069	2.1
59.05000	1.6
61.02934	3.5
67.05502	4.4
69.03435	17.2
69.07071	8.0
69.49955	7.4
71.04985	7.1
73.02910	3.1
79.05492	5.1
79.48066	1.5
81.03405	8.1
81.07059	9.9
83.04985	2.7
83.08618	6.9
85.02905	34.6
85.06557	4.2
86.00690	1.5
87.00832	18.8
91.05477	7.6
93.07043	11.6
95.04965	16.2
95.08620	9.5
97.02890	13.4
97.06515	8.3
99.04463	9.2
99.08118	2.8
105.01868	28.5
105.07054	12.5
107.08599	19.1
109.02873	10.2
109.06519	14.0
109.10149	7.5
111.08069	7.2
115.07493	1.9
117.07031	2.3
119.08572	11.5
121.06495	2.4
121.10149	25.7
123.08066	11.4
123.11717	4.6
125.09629	2.9
127.03927	25.6
127.07557	2.4
127.11220	2.5
129.07007	1.9
131.08575	7.5
133.10130	29.3
135.08061	67.3
135.11687	6.3
137.06003	1.8
137.09601	8.2
139.11182	3.4
141.06960	2.5
145.04962	11.1
145.10149	4.4
147.11687	31.7
148.87061	1.6
149.09651	4.1
149.13257	7.4
151.11162	4.2
153.09126	9.5
155.10652	16.1
158.10913	3.5
159.02899	3.1
159.08011	1.8
161.09657	2.0
163.14830	9.2
165.12752	14.7
167.14377	2.9
171.10201	5.8
173.13237	15.9
174.06738	3.6
189.09117	7.3
191.14314	58.1
199.20816	1.7
201.09119	2.0
209.15375	96.0
210.15901	1.9
219.08208	3.3
219.10184	30.0
224.89253	1.5
225.46309	1.6
227.16425	100.0
231.05016	7.3
249.06009	6.5
414.04764	1.7
421.18777	2.0
424.79224	1.8
439.19357	1.9
475.21774	2.0
493.14432	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	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01874	1.3
55.05508	13.2
57.03415	1.8
57.07063	0.6
57.50985	0.7
59.04996	1.2
61.02915	2.3
62.13198	0.7
67.05502	2.6
68.99775	0.9
69.03424	7.9
69.07065	1.8
69.26899	2.0
69.27297	1.9
71.04974	2.3
79.05476	2.3
81.03415	3.6
81.07072	4.6
83.04972	15.5
83.08618	10.6
85.02900	32.2
87.00813	2.4
91.03938	1.6
91.05482	2.1
93.07034	4.9
95.04995	4.1
95.08592	1.9
97.02891	8.9
97.06522	1.8
97.10142	1.7
98.23432	1.5
99.04438	2.6
105.01842	2.5
105.07027	24.7
106.02924	0.9
107.08585	7.3
109.02846	3.9
109.06504	4.4
109.10158	9.5
111.08076	3.2
119.08537	2.3
121.06549	1.0
121.10125	3.2
123.11706	4.5
124.03947	0.9
124.49293	0.8
125.09627	3.4
127.03907	10.3
131.08540	1.5
133.10118	34.3
134.10451	0.9
135.08023	2.0
135.11705	1.6
137.05966	1.5
137.09621	0.7
139.07556	0.8
145.04955	11.6
145.10095	1.2
147.08055	1.5
147.11655	1.2
149.13245	3.8
151.11165	20.7
153.01797	1.1
153.09099	1.9
157.10080	0.9
159.02904	1.3
161.09621	2.5
163.06094	4.0
165.05498	0.8
166.06277	0.9
167.14311	20.4
173.13242	2.7
177.09111	0.8
181.08559	1.1
191.14297	3.7
204.57213	0.8
207.10144	2.4
209.15352	100.0
210.15660	1.3
226.07007	0.9
227.16364	3.1
228.71468	0.8
249.05998	1.5
267.88174	0.8
284.09872	0.8
322.41708	0.8
331.08011	0.9
492.30392	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01870	3.0
55.05511	3.2
57.03428	4.0
59.56010	1.1
61.02921	1.9
67.05498	2.8
68.99797	1.2
69.03425	15.9
69.07082	2.6
69.81705	3.8
70.06628	1.2
71.04993	4.9
73.02915	3.5
79.05490	5.5
80.07526	1.1
81.03426	12.2
81.07056	5.4
83.04969	5.4
83.08613	1.8
85.02911	28.7
85.06535	1.4
87.00831	11.4
91.05474	10.4
93.07040	8.0
95.04971	4.7
95.08601	5.4
97.02891	16.4
97.06536	3.2
98.23333	1.9
99.04443	5.7
99.66602	1.0
105.01852	12.0
105.07025	15.2
105.07658	1.7
107.08590	68.4
109.02881	10.0
109.06532	5.5
109.10201	6.3
109.10789	1.1
115.05408	1.3
117.01884	1.8
117.07027	1.4
119.08569	7.6
121.06536	1.8
121.10147	18.7
123.08063	3.1
124.03931	2.0
125.72318	1.1
127.03911	18.9
131.08569	8.3
133.10127	100.0
134.10484	1.1
135.08061	6.0
135.11671	3.3
139.03940	3.3
139.11194	1.6
143.08591	2.3
145.04967	9.9
145.10095	5.4
147.11707	11.0
149.09621	2.0
149.13252	14.0
151.11238	1.9
153.09114	2.4
158.10905	2.7
159.02884	5.9
161.21368	1.1
163.11148	1.5
163.14824	2.8
173.13255	23.9
174.05829	1.4
175.14775	12.7
180.08801	1.1
181.04961	2.8
187.07169	1.1
191.14302	77.7
192.14679	1.7
209.12076	1.4
209.15375	8.8
224.76527	1.1
231.05054	4.1
249.06120	1.4
312.16318	1.4
331.08087	5.1
449.15503	2.0
491.31897	1.3
492.23441	1.8
492.30893	13.1
493.14691	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01877	2.6
55.05510	7.4
57.03433	3.0
57.07079	1.7
59.05003	1.8
61.02926	2.4
61.04691	1.1
62.15664	0.9
67.05162	0.9
67.05505	4.3
68.99802	1.0
69.03432	13.8
69.07065	3.2
71.04987	4.1
73.02943	2.5
79.05485	4.6
81.03423	10.2
81.07060	8.0
83.04971	6.2
83.08614	5.2
85.02903	28.3
85.06573	2.5
85.88644	1.2
87.00825	12.2
87.04474	1.4
91.05492	4.1
92.90974	1.0
93.07040	8.2
95.04974	29.1
95.08618	5.7
97.02895	10.9
97.06540	9.9
99.04449	10.7
99.08093	2.5
105.01868	17.4
105.07032	12.6
106.67789	1.0
107.08586	13.6
109.02881	8.1
109.06521	17.8
109.10143	11.2
111.08095	2.4
115.07560	2.0
117.01795	1.0
117.07051	1.3
119.08575	7.5
121.06583	1.7
121.10155	14.9
123.08054	5.2
123.11714	2.9
125.09621	2.4
127.03919	18.3
131.08580	7.2
133.10123	27.5
135.08000	6.7
135.11731	3.6
137.06071	1.3
137.09630	1.0
139.11186	2.3
145.04980	7.9
145.06412	1.0
145.10124	2.8
147.04425	1.0
147.11685	21.6
149.09677	1.9
149.13237	4.7
151.11179	6.6
153.09106	16.7
158.10941	2.2
159.02881	4.1
163.14842	3.8
165.12753	5.0
167.14352	7.6
171.10150	4.9
173.13258	15.6
175.14798	1.5
189.09126	2.2
191.14307	25.3
209.08157	1.5
209.15364	68.0
210.15756	2.1
213.03941	1.4
219.10107	6.9
225.14822	1.1
227.09103	3.2
227.16411	100.0
228.16937	1.7
231.04907	5.1
235.06195	1.0
249.06161	2.8
421.18396	1.1
439.19684	2.2
448.12906	1.1
457.20752	1.9
475.21732	2.3
492.11761	6.5
492.29932	1.7
493.11667	1.2
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
53.03933	3.4
55.01873	4.4
55.05507	11.8
57.03436	5.8
57.07074	2.8
61.02917	3.5
67.05507	8.2
69.03426	14.8
69.07070	6.7
69.71136	5.2
71.04992	17.1
73.02930	2.0
79.05502	8.2
81.03423	10.6
81.07050	18.5
83.04990	19.7
83.08616	10.3
85.02905	43.4
85.06554	8.1
87.00813	12.4
87.04465	4.0
91.05474	5.1
93.07040	17.6
95.04955	21.2
95.05460	2.2
95.08607	9.7
97.02894	10.6
97.06532	9.2
97.10182	2.0
99.04468	7.8
105.01865	14.0
105.07036	17.1
106.02890	1.8
107.08601	22.6
107.09280	2.7
109.02879	9.6
109.06512	19.5
109.10155	30.3
111.04462	2.7
111.08075	5.9
115.07552	4.0
117.07012	3.3
119.08616	9.3
121.02860	2.2
121.10138	22.9
123.08073	4.1
123.11696	7.9
125.09648	5.3
127.03934	15.9
127.59106	1.7
129.05450	9.3
131.08568	13.8
133.10129	41.5
135.08084	7.1
135.11726	4.8
137.09592	2.8
139.11182	4.1
143.08699	2.5
145.04951	7.4
145.10149	5.9
147.06497	4.1
147.11684	12.1
149.09647	6.1
149.13274	8.9
151.11177	17.7
153.01851	1.9
153.05519	4.3
153.09119	14.1
158.10878	3.8
159.02939	3.2
163.11249	3.9
163.14816	3.7
165.12823	4.0
167.10695	2.7
167.14285	16.4
173.13255	21.7
175.14809	4.8
191.10684	4.2
191.14314	31.0
209.11745	8.1
209.15355	100.0
210.15636	2.8
227.12801	14.6
227.16388	18.1
231.04990	2.6
287.05563	1.8
315.04831	2.7
316.05688	5.0
331.08081	26.8
411.53687	1.9
421.18768	3.0
492.22552	5.2
493.13260	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05507	2.6
57.03436	9.9
59.04982	1.1
61.02915	0.8
67.05494	1.5
69.03421	2.4
69.07068	0.7
69.63214	2.2
71.04992	73.3
72.05332	0.7
73.02901	1.9
75.04472	4.9
79.05494	1.9
81.03421	1.7
81.07053	1.4
83.04984	8.9
85.02903	100.0
85.06543	1.0
85.48689	0.7
86.06033	0.8
87.04459	2.0
91.05517	0.7
93.07039	3.1
93.92949	0.7
95.04986	1.9
95.08636	1.5
97.02898	4.7
98.22728	1.1
99.04452	2.9
103.03931	0.9
104.05043	1.2
105.07014	1.2
107.08607	2.9
109.10162	1.3
111.04440	5.3
113.05991	0.8
115.03952	0.9
119.08622	1.6
121.06503	1.9
121.10128	5.0
123.08089	1.0
125.09630	0.8
127.03912	4.1
129.05475	41.2
131.08578	1.2
133.10106	1.3
135.08043	0.8
135.11635	0.8
136.07536	1.3
137.05954	0.9
145.04944	2.9
145.10109	0.8
147.04643	0.8
147.06531	20.6
149.09605	2.4
160.03931	1.0
161.05969	0.9
161.09622	1.6
162.05518	3.1
162.07681	0.8
164.09195	3.7
166.97839	0.7
167.10684	4.2
173.09587	0.8
178.04968	11.1
179.10542	1.0
180.08624	1.8
181.12254	1.8
191.10722	1.1
209.15341	1.4
231.13887	1.0
236.32199	0.7
255.08794	1.7
259.13339	1.5
273.09738	0.9
295.15292	1.0
297.12558	1.0
299.10245	0.8
303.97571	0.7
313.11783	2.2
474.16528	1.9
492.17480	1.8
492.27750	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	492.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.7
57.03434	5.0
67.05498	15.0
69.07061	5.3
69.59201	4.0
71.08627	20.2
79.05495	14.9
81.03416	2.9
81.07060	13.9
83.04977	4.1
83.08619	3.8
91.05474	9.7
93.07043	21.8
95.04980	4.6
95.08589	10.5
97.06518	2.8
98.22744	3.3
99.08090	13.4
105.07030	5.8
107.04948	3.2
107.08605	10.2
109.10143	3.0
117.95463	1.9
119.08569	4.7
121.10122	6.6
124.30767	1.5
129.07050	1.5
133.10133	5.4
135.11665	11.8
143.08453	2.0
145.10143	2.2
147.11682	2.3
149.13252	2.8
151.11183	6.2
154.94637	1.5
161.13261	4.6
163.11166	2.1
179.14302	41.5
221.15359	1.7
230.25719	1.6
234.06079	1.6
277.21616	20.0
292.43695	1.7
310.10648	1.9
313.09341	1.8
349.76602	2.2
351.25290	100.0
352.25644	2.6
366.15936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
60.78476	0.5
64.57291	0.6
65.03942	1.6
67.05487	1.8
67.67763	0.6
69.07059	1.0
69.23822	1.9
69.24225	1.0
79.05481	0.7
81.07046	2.3
83.08607	0.8
91.05478	88.5
92.05801	1.1
92.27863	0.6
93.06999	0.6
95.08607	1.6
97.06532	0.6
98.22727	1.4
105.07056	3.5
106.06555	2.7
106.07808	7.6
107.08604	0.8
109.10156	1.6
119.08530	0.8
133.06451	3.4
133.10187	0.6
134.07268	34.4
135.08014	1.8
147.11742	0.6
148.07498	0.7
151.07509	1.6
157.10091	0.7
162.09149	1.0
165.09126	1.1
166.07732	1.3
181.10101	11.0
184.92561	0.7
188.92421	0.6
196.11241	2.0
198.10930	1.0
198.12778	19.5
199.13243	0.8
238.12260	12.4
240.13820	0.7
244.20644	0.6
293.78207	0.7
330.18494	100.0
331.19189	17.1
339.29089	1.8
402.36725	0.6
439.32126	0.9
457.33047	1.0
460.38602	0.7
492.18628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03862	0.3
51.61523	0.4
55.05505	1.1
57.07074	3.5
58.28941	0.3
58.99583	0.9
65.03944	1.4
66.58543	0.3
67.05494	1.6
69.07069	8.6
71.08625	3.0
72.03371	0.3
73.06973	0.3
77.03934	0.9
79.05489	8.0
81.07056	0.5
83.08612	0.4
87.02685	2.7
91.05476	58.2
92.05802	1.1
93.07063	0.6
95.04971	1.7
95.08643	0.6
97.01113	0.8
101.04285	0.4
103.05463	5.9
104.06251	0.4
105.07025	42.6
106.06632	2.2
106.07848	4.8
107.08607	2.5
109.10165	1.0
121.06458	1.9
133.06487	35.7
134.05769	0.5
134.07274	22.6
135.08047	68.8
136.08394	1.3
136.93117	0.5
137.04169	3.0
143.08922	2.4
147.08063	0.8
151.07535	16.9
154.94081	0.8
159.07982	0.6
161.09616	1.1
164.02959	0.3
165.03694	36.9
167.05261	8.1
167.24300	0.3
170.78694	0.3
172.95261	1.2
173.09616	0.6
179.05255	10.8
181.10104	3.0
183.04713	1.1
187.11258	0.3
198.12772	53.6
199.13110	1.1
229.15947	0.3
277.16193	21.6
278.16565	0.5
285.57028	0.4
295.17245	100.0
296.17569	3.2
325.71841	0.3
330.18475	0.9
349.76724	0.3
449.20126	1.1
492.24747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45288	6.0
55.05508	25.8
57.07074	14.8
67.05502	15.7
69.07066	50.3
69.12762	42.5
71.08634	12.9
79.05521	10.1
81.07054	20.7
83.08613	32.0
87.31247	6.7
95.08603	21.0
97.10158	21.3
107.08609	16.3
109.10156	14.4
111.11705	7.7
119.08608	12.5
121.10155	9.0
133.10188	7.2
135.57162	6.6
137.06001	7.4
149.13179	7.8
151.07533	21.4
165.05414	8.7
165.09140	9.8
167.07019	100.0
174.20296	7.6
207.10086	9.0
222.90559	8.0
232.39842	7.0
254.25215	6.5
291.19324	8.3
429.33728	66.6
447.34668	8.1
457.33261	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	492.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55963	1.6
55.05504	4.8
57.02385	1.8
57.07067	2.4
60.02866	1.5
67.05498	12.1
69.07076	10.2
69.15289	11.2
71.05008	2.6
79.05493	5.8
81.07059	21.6
83.08626	7.6
84.06210	1.4
85.06544	3.6
90.68116	1.4
91.05476	2.6
93.07034	9.4
95.08607	38.8
97.10188	2.9
105.07050	6.5
107.08585	26.7
109.10152	35.2
111.08107	1.7
111.11700	4.0
119.08586	5.9
121.10139	19.4
123.08059	2.1
123.11715	15.6
125.09624	21.9
131.08553	3.7
133.10121	8.3
135.11697	10.4
137.13249	7.3
145.10139	4.3
147.11684	7.2
149.13225	9.0
153.09103	5.9
153.73833	1.8
159.11699	3.3
161.13271	6.6
163.14812	7.1
171.10164	100.0
172.10577	1.6
173.11832	1.7
173.13274	3.4
175.14809	2.7
177.16414	6.2
184.04103	1.9
187.14856	2.5
189.16373	3.4
191.17920	4.7
193.16020	1.7
203.17934	2.7
205.19588	8.3
217.19560	2.4
219.21330	2.0
231.21068	1.7
239.16264	1.8
249.18747	2.1
287.27423	2.6
329.28299	2.4
361.27414	2.0
387.32687	2.9
413.34308	2.7
437.31500	1.6
439.35602	7.2
457.36685	28.0
475.37949	20.8
493.32678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02491	2.1
55.05500	4.1
57.07074	2.9
64.68855	2.0
67.05502	15.5
69.07062	12.0
69.30489	1.9
69.88030	2.3
69.88357	4.4
71.47728	2.5
79.05476	4.0
81.07047	17.3
83.04960	1.8
83.08611	5.3
91.05499	4.2
93.07040	9.9
95.08607	34.4
95.09200	2.8
105.07024	7.5
107.08590	25.2
109.10161	36.1
111.11734	2.5
119.08556	5.8
121.10148	14.1
123.11720	10.1
125.09617	25.5
131.08508	2.3
133.10129	3.9
135.11682	8.0
137.13229	6.3
143.10670	2.1
145.10074	2.6
147.11673	4.4
149.13240	7.6
153.09088	7.8
155.48227	2.3
159.11658	2.9
161.13269	3.2
163.14845	5.3
167.07066	4.9
171.10167	100.0
172.15620	2.0
173.04529	2.2
175.14714	2.4
175.77461	2.2
187.14757	2.3
191.17897	3.4
200.33406	2.1
205.19478	8.9
236.82181	2.0
251.04710	2.7
287.27469	3.0
439.35504	3.9
457.36774	12.5
469.39093	2.1
475.37912	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	493.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.7
67.05508	1.8
68.79114	1.4
69.16209	4.5
69.16641	4.5
71.04982	2.0
77.82072	1.4
81.03428	2.1
84.96049	3.0
98.97575	8.8
105.07045	1.4
110.97567	3.1
116.98652	3.9
126.51310	1.4
143.00148	2.5
152.98616	1.8
153.32117	1.5
158.99709	2.1
177.00757	1.7
197.01239	3.9
219.01830	5.5
237.02831	3.4
239.81097	1.5
303.07642	1.7
367.38580	1.5
407.10172	13.3
425.11090	4.1
449.11993	21.5
492.32721	3.6
493.11121	100.0
494.11356	4.3
504.17386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01850	0.7
55.05495	1.4
60.97437	0.5
67.05472	2.1
69.03404	2.4
69.07042	0.7
69.36999	2.3
71.04958	0.9
79.05468	2.0
81.03414	3.6
81.07027	2.3
85.02915	3.6
87.00794	0.8
91.05457	1.6
93.07008	2.3
95.04938	1.9
95.08586	1.5
96.33298	0.6
97.02867	1.0
97.10152	0.7
98.22740	1.3
99.04459	0.7
105.07015	1.2
107.04974	1.0
107.08567	1.2
109.02856	1.6
109.10127	0.7
119.08562	0.7
121.02847	1.1
121.10147	0.8
123.04402	0.5
125.05732	1.3
125.09584	0.8
127.03880	2.1
129.06956	0.9
131.08522	1.0
145.10037	1.0
159.02864	0.9
161.02040	1.5
163.11108	0.6
167.03120	0.9
185.04156	1.1
193.12311	1.2
197.02936	1.6
209.12018	0.6
211.13123	0.6
227.05289	2.6
243.04674	0.7
245.07896	9.7
247.13350	1.0
247.87254	0.6
269.09991	1.3
271.04233	8.2
287.03711	0.8
287.11038	5.3
289.05389	1.6
305.08783	0.8
311.10977	11.1
329.12061	22.9
348.51303	0.6
355.09976	37.7
356.10419	0.9
373.11047	78.8
374.11450	1.9
383.22202	0.9
401.23264	1.0
405.15271	4.7
407.13135	1.5
449.14194	15.6
475.26770	0.9
493.13165	100.0
494.13568	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	493.1345
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.61258	0.2
59.84647	0.2
67.05521	0.2
71.04965	0.2
71.19011	0.2
77.01035	0.3
79.05488	0.3
81.07045	0.3
83.05003	0.2
85.02908	0.6
91.05463	0.3
93.07051	0.6
95.08640	0.2
97.02885	0.4
105.06970	0.5
109.06516	0.3
113.79612	0.2
133.10141	0.7
134.10471	0.4
135.04384	0.3
137.05988	0.5
139.03864	0.5
142.81290	0.2
146.22856	0.2
147.68912	0.3
149.09686	0.2
153.01855	0.4
167.07063	0.6
178.02655	0.5
179.10588	0.4
181.04921	0.3
207.10176	0.7
208.10493	0.4
221.08119	0.5
242.05763	1.6
253.10706	0.4
258.05234	1.6
269.04486	0.3
270.05240	9.7
273.03973	1.1
283.15448	1.3
286.04779	2.2
287.05493	3.3
297.13425	1.7
299.05533	0.6
301.03433	0.8
302.04211	0.9
310.97372	0.3
313.03452	0.5
315.04987	28.6
316.05688	5.1
331.08118	100.0
332.08441	3.1
493.13544	1.0
497.68811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
53.03923	0.3
55.05478	0.7
64.43534	0.3
67.05457	1.0
69.03387	0.9
69.56895	1.1
77.80879	0.2
79.05491	1.4
81.07041	0.6
85.02887	1.5
87.97402	0.3
89.14855	0.3
91.05428	0.9
93.06982	0.6
95.04932	1.1
95.08544	0.3
97.02892	0.6
97.06507	0.4
98.22747	0.6
99.04446	0.3
105.06973	0.8
106.26831	0.3
107.04948	1.7
107.08549	0.9
109.06480	0.5
109.10156	2.5
111.04397	0.5
119.08545	0.9
121.06450	0.3
127.03886	0.6
128.06215	0.5
133.10083	1.4
134.10454	0.4
137.02271	1.2
137.05923	0.6
137.09599	3.0
139.03862	0.6
141.01791	0.4
143.08495	1.2
146.07233	0.4
147.07990	1.1
149.05922	0.3
150.03108	0.5
151.03795	0.5
151.11104	0.4
153.01823	2.2
153.09111	0.5
155.08415	0.3
161.05885	0.3
161.08405	0.4
161.09604	6.4
165.06819	0.3
165.09113	5.8
167.03410	0.4
179.03342	0.5
179.10619	0.6
181.09686	1.3
189.09047	1.0
191.14352	0.4
193.08525	0.3
199.10817	0.4
207.10133	4.6
209.15335	0.7
210.15681	1.0
225.11203	2.1
242.05690	1.7
245.04370	5.4
269.04401	0.5
270.05176	1.2
273.03900	8.2
273.06839	0.5
287.05435	2.7
288.06244	20.4
289.06665	0.3
298.04913	0.6
299.05493	0.8
301.03458	2.0
315.04953	4.0
316.05743	78.5
317.06055	3.0
331.08078	100.0
332.08423	4.6
401.14404	0.4
427.16699	0.3
492.32343	0.6
493.13370	56.3
494.13654	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	493.1344
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.82011	0.2
52.40928	0.2
57.65631	0.2
66.31941	0.2
69.03434	0.5
70.06603	0.3
71.04998	0.5
71.44302	0.2
79.70226	0.2
83.05000	0.4
85.02914	1.2
90.13352	0.2
91.05456	0.3
94.04174	0.2
97.02882	0.2
111.04461	0.3
121.02901	0.3
123.04408	0.3
129.05472	0.3
135.04402	0.5
137.05989	0.3
139.03902	0.5
149.09557	0.3
150.03101	1.3
151.03914	0.6
153.01799	0.9
165.01851	0.3
178.02596	0.8
179.03398	1.6
191.14323	0.6
192.14670	0.5
197.05957	0.2
201.05440	0.3
203.03419	0.3
205.04732	5.1
205.06551	0.4
209.15424	0.6
210.15741	0.8
211.58022	0.2
213.05470	0.5
241.04968	0.7
242.05756	5.6
243.06247	0.3
245.04463	0.4
258.05161	0.4
266.07651	0.3
269.04480	1.3
270.05228	4.0
271.05801	0.3
273.03943	0.5
281.04407	0.3
285.04013	0.3
286.04816	1.1
287.05502	7.6
288.06177	0.4
297.04169	0.3
298.04736	1.0
299.05527	3.6
301.03503	0.6
302.04163	0.5
313.03391	0.5
313.60904	0.3
315.04990	13.9
316.05676	3.1
329.10147	0.3
331.08112	100.0
332.08423	3.5
486.03314	0.2
493.16599	8.2
493.26077	2.2
494.16949	0.3
511.39917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1342
Annotation	Eupalitin 3-glucoside
Peak:m/z	Relative Intensity
57.03408	0.6
61.02905	0.4
69.03400	1.5
71.04953	1.2
73.02899	0.4
79.05441	0.4
81.03407	0.5
81.07039	0.3
85.02496	0.3
85.02907	3.9
93.07005	0.4
97.02892	0.7
98.97587	0.6
107.08597	0.5
109.02896	0.5
109.10138	0.3
123.04404	0.4
127.03883	0.7
136.01448	0.4
137.09572	0.4
145.04895	0.9
151.03928	1.6
151.07501	0.4
153.01801	0.9
165.09222	0.3
177.05507	0.4
178.02588	0.5
185.20728	0.3
242.05725	3.1
258.05167	2.4
260.69507	0.4
269.04309	0.4
270.05212	16.4
271.05563	0.6
273.03839	0.7
286.04684	3.1
287.05466	7.2
298.04703	0.7
299.05487	1.0
301.03448	1.5
302.04181	1.7
313.03369	1.3
315.04962	53.0
316.05719	18.3
316.08701	0.2
331.08087	100.0
332.08444	4.5
343.25360	0.4
347.07526	3.5
373.09076	0.6
433.15515	0.6
493.13342	45.6
494.13632	2.5
516.97974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.03410	0.6
67.05473	0.7
69.03411	1.4
71.44283	0.6
73.02898	1.2
79.05483	0.9
81.03397	0.5
81.07039	1.1
85.02884	1.7
89.50784	0.4
91.05461	1.6
95.04952	1.0
95.08578	0.5
99.08116	0.5
103.05460	0.5
105.07005	0.9
107.04913	0.6
107.08605	0.7
109.06497	0.5
109.10116	1.1
111.04420	0.4
115.05472	1.4
117.07015	0.8
119.04913	0.4
119.08544	0.7
121.06569	0.5
121.10176	0.4
122.03638	0.6
123.04360	0.5
123.11665	0.7
128.06197	1.5
129.07013	6.7
131.04929	1.6
131.08569	6.6
133.06572	0.4
133.10188	0.4
137.05988	4.9
137.09625	0.6
137.92026	0.3
139.03920	0.6
141.06981	5.4
143.08545	0.9
144.05705	1.0
145.06433	1.3
146.07271	1.0
147.04417	0.4
147.07993	0.4
151.03886	1.8
151.07553	1.2
151.11145	1.4
157.06496	5.2
158.07263	2.9
159.04446	0.5
159.08052	5.4
160.05217	1.1
161.05965	0.6
161.09612	2.5
163.07530	1.2
165.09073	1.4
169.06454	2.9
169.07683	0.7
170.07254	1.5
171.07935	0.7
173.05995	0.6
174.06761	15.0
175.07541	3.4
177.09102	0.8
181.08566	0.9
186.06720	2.8
187.07542	0.7
188.08229	0.5
189.09100	27.3
191.06989	0.8
191.09082	0.4
191.10628	3.0
201.09100	9.7
203.05290	0.7
203.10612	1.9
207.10155	1.9
209.11528	0.8
219.10156	100.0
220.10526	1.5
221.11723	0.8
225.11215	1.2
227.08128	1.1
237.11154	0.7
245.06335	2.8
245.09138	3.9
273.08698	0.5
289.05167	2.0
316.05774	0.7
331.04587	0.7
331.08121	4.0
367.15643	0.4
371.16678	1.5
389.13376	0.7
407.14380	10.7
413.17856	2.1
449.15466	23.9
450.15820	1.1
492.29559	0.5
493.14444	83.7
494.14902	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	493.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.02348	0.4
58.86314	0.4
69.44775	1.2
78.92596	0.4
81.03403	0.5
85.02898	1.5
97.02853	1.0
106.86959	0.5
107.05036	0.4
121.02867	1.3
122.03659	0.4
123.04408	0.6
127.03818	0.4
139.03857	0.5
147.04401	1.1
149.02296	0.6
150.03114	0.8
151.03888	1.6
153.01787	0.7
155.25912	0.5
159.04454	0.6
161.05893	0.4
163.03897	0.7
171.04417	1.2
175.03833	2.2
177.05516	1.1
178.02545	0.7
179.03419	0.8
181.05000	1.7
183.90717	0.4
185.05904	0.7
187.03868	1.4
189.05440	1.2
191.03401	0.5
191.07036	0.7
193.04970	3.6
197.05905	0.5
199.03867	0.6
201.05487	1.8
202.06296	0.5
203.03369	0.9
203.06982	0.9
205.04950	4.5
207.06554	0.4
211.05963	0.7
213.05382	2.3
215.06946	0.5
217.04970	3.3
219.02864	1.0
219.06512	1.5
221.04427	1.6
223.05940	4.0
225.05536	0.9
229.04971	1.5
231.06473	1.9
235.06061	4.0
241.04916	1.4
242.05783	4.6
243.06512	1.6
245.04437	0.8
245.08098	0.9
247.06026	7.0
253.05020	0.6
255.06480	0.9
257.04367	0.5
257.07965	0.7
259.06030	7.1
267.06476	0.5
269.04449	1.6
270.05246	4.1
271.06049	3.2
273.03857	0.6
273.07629	1.2
275.05756	0.4
277.07037	5.3
283.06030	1.7
285.07468	1.2
286.04684	1.0
287.05496	7.3
288.06082	0.6
289.07031	8.1
297.07620	0.9
298.04785	1.3
299.05493	3.0
301.03610	0.7
301.07019	6.5
307.08243	2.2
313.06882	4.9
315.04990	12.0
316.05615	2.8
319.08237	3.0
323.12573	0.4
325.09741	6.1
331.08096	100.0
332.08536	3.9
337.09671	2.0
343.08005	4.6
355.08459	1.9
355.09973	2.3
361.09021	2.6
367.07980	0.9
373.09119	2.5
379.10251	2.7
385.09143	1.4
391.10168	4.1
403.10333	2.4
409.11057	0.5
421.11197	1.7
439.12473	2.1
457.13333	0.8
493.13358	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	493.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.3
57.03426	3.5
61.02921	3.2
69.03421	5.3
69.86397	4.2
69.86764	3.2
70.60688	1.8
74.60794	1.8
81.03407	4.1
85.02901	29.7
91.05479	2.4
95.05029	2.0
97.02895	5.1
99.04416	2.5
103.03947	3.1
109.02876	8.6
121.02851	5.1
123.04416	10.8
125.91769	1.8
127.03915	5.9
137.06006	1.9
139.03897	5.0
145.04990	2.8
147.04401	9.9
151.03905	34.1
153.01807	4.7
161.05988	5.6
163.03928	10.7
165.05489	14.9
169.04964	29.4
171.04391	2.0
175.03917	10.1
179.07014	2.2
181.04964	55.0
187.03888	5.3
189.05492	6.3
193.04965	100.0
201.05511	2.9
205.05003	10.9
207.03040	2.6
207.06519	30.0
211.06013	86.0
213.05562	3.1
217.04945	8.0
219.06537	4.2
221.04457	2.2
229.04950	7.3
231.06516	6.2
233.04393	4.1
235.06017	90.7
241.04964	7.4
242.05717	3.0
247.06017	75.8
259.06018	40.7
260.06497	2.0
265.07108	15.8
270.05316	2.6
277.07043	35.1
287.05579	4.9
295.08127	26.7
296.79510	2.4
299.05460	3.8
313.09207	26.8
315.05038	7.8
316.05521	2.1
325.08954	2.5
331.07932	53.0
390.18149	1.9
493.13086	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91281	0.4
62.52211	0.5
67.88000	0.5
69.24262	2.6
71.04997	0.7
85.02905	0.4
90.28432	0.5
105.07025	0.6
121.02892	1.5
121.06519	1.3
134.58757	0.5
137.05984	1.3
139.03928	0.6
141.84814	0.5
151.07553	1.2
151.11197	0.5
158.07323	1.2
159.08089	1.3
161.05984	1.8
163.07607	0.6
173.09698	0.8
174.10388	3.0
175.07520	2.5
176.08325	3.3
177.09143	1.6
178.04900	0.5
185.04242	0.5
189.09138	0.7
190.09875	4.2
203.05351	0.5
205.12231	14.4
205.14046	0.8
207.39584	0.5
243.04750	1.1
245.06345	2.9
245.11574	1.8
271.04263	1.6
287.03778	6.0
289.05316	18.0
350.72797	0.5
363.60214	0.6
407.16574	3.1
449.17807	22.3
450.17807	0.9
493.16779	100.0
494.17090	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	493.192
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
53.03954	1.1
54.56248	0.6
55.01867	1.1
55.05508	3.8
57.03431	1.2
67.05503	9.2
69.01328	0.5
69.03427	5.2
69.07066	1.4
71.01325	1.1
71.04987	1.8
71.14101	0.6
72.08138	0.5
73.02915	1.1
77.03928	1.4
79.05488	12.4
81.03416	0.9
81.07059	3.3
83.05004	3.0
85.02908	4.4
91.05474	5.8
93.07050	2.8
95.01321	2.8
95.04960	6.9
95.08591	3.7
97.02893	1.4
97.06534	2.6
99.04459	3.5
103.03900	0.6
105.04510	1.8
105.07035	10.9
106.02922	0.6
107.04951	21.6
107.08593	4.0
108.05270	0.6
108.08950	0.5
109.02811	0.7
109.06520	4.8
109.10157	29.7
110.03133	0.4
111.04424	3.2
113.02344	0.7
115.05460	0.5
117.07028	1.6
119.08588	8.2
121.06492	2.3
121.10126	0.7
123.04410	1.5
123.08120	0.8
123.11706	0.8
124.03946	1.1
125.05968	2.4
125.86624	0.5
127.03887	0.8
127.76618	0.5
128.06224	5.2
129.07021	3.8
130.07759	0.6
131.03391	0.7
131.08575	1.7
133.06511	1.3
133.10132	11.1
134.10510	0.8
134.68842	0.5
135.08086	2.5
137.05974	1.4
137.09615	50.7
138.09947	1.2
139.03906	0.8
141.01837	3.4
143.06964	0.9
143.07329	0.8
143.08560	13.8
145.06445	1.2
145.10138	2.5
146.07239	3.2
147.08046	19.9
151.03850	0.8
153.01804	0.6
159.08043	1.3
161.09615	100.0
162.09973	2.0
163.11154	2.4
165.09109	89.5
166.09453	2.2
171.08034	1.8
174.06764	1.4
179.10670	9.1
187.67711	0.5
189.09105	11.2
190.09471	0.6
191.14278	0.7
192.14600	1.0
197.11787	3.5
207.10158	71.6
208.10513	1.8
209.11670	0.8
225.11208	25.6
226.11432	0.9
242.05811	0.8
243.12416	0.6
268.08087	0.9
270.05258	0.7
281.13885	0.8
287.05423	1.3
299.05389	0.7
299.14880	2.6
313.16437	0.6
315.04913	1.7
316.05872	0.6
317.15628	0.8
331.08096	18.0
332.08524	0.8
347.07523	1.6
361.48795	0.6
383.13034	0.7
401.14362	6.4
493.13199	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	493.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.7
65.03935	0.4
69.03419	1.2
71.04977	0.5
71.29795	0.4
73.02893	1.4
75.50787	0.4
79.05489	0.6
79.59304	0.4
82.92675	0.4
85.02887	1.8
89.95374	0.4
91.05460	1.7
95.04941	1.0
96.05287	0.4
97.02881	1.0
109.10104	0.6
115.05421	0.6
119.08585	0.6
128.06245	0.8
129.07013	5.5
131.04910	0.9
131.08566	6.4
137.05968	3.5
139.03886	1.8
140.04248	0.6
141.06975	4.8
143.08522	1.2
144.05733	0.9
145.06456	0.9
148.51443	0.4
151.03880	0.8
151.07574	1.1
153.12468	0.5
157.06497	3.8
158.07272	2.5
159.04445	0.7
159.08038	5.9
160.05261	1.0
161.09592	1.0
163.07564	1.6
169.06433	3.3
170.07254	1.0
171.08061	1.0
174.06760	11.8
175.07513	2.8
181.08611	1.5
182.08932	1.8
185.04211	0.4
186.06747	2.8
187.07539	0.5
188.08269	0.7
189.09105	23.5
191.10631	2.2
201.09114	8.7
203.10649	2.4
207.10262	1.1
219.10164	100.0
220.10464	2.9
221.11697	0.6
230.33952	0.5
237.11086	0.7
245.06442	1.1
245.09224	1.8
257.86911	0.4
258.63535	0.5
265.47879	0.5
273.08749	0.6
291.10364	0.5
295.10150	0.5
327.12262	0.6
331.04504	0.5
331.08066	1.2
355.15350	0.5
371.16650	0.5
407.14447	3.7
413.17944	1.1
449.15518	9.9
450.15826	0.8
493.14438	33.8
494.14685	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2072
Annotation	Schizandriside
Peak:m/z	Relative Intensity
57.03419	0.7
65.03935	0.4
69.03419	1.2
71.04977	0.5
71.29795	0.4
73.02893	1.4
75.50787	0.4
79.05489	0.6
79.59304	0.4
82.92675	0.4
85.02887	1.8
89.95374	0.4
91.05460	1.7
95.04941	1.0
96.05287	0.4
97.02881	1.0
109.10104	0.6
115.05421	0.6
119.08585	0.6
128.06245	0.8
129.07013	5.5
131.04910	0.9
131.08566	6.4
137.05968	3.5
139.03886	1.8
140.04248	0.6
141.06975	4.8
143.08522	1.2
144.05733	0.9
145.06456	0.9
148.51443	0.4
151.03880	0.8
151.07574	1.1
153.12468	0.5
157.06497	3.8
158.07272	2.5
159.04445	0.7
159.08038	5.9
160.05261	1.0
161.09592	1.0
163.07564	1.6
169.06433	3.3
170.07254	1.0
171.08061	1.0
174.06760	11.8
175.07513	2.8
181.08611	1.5
182.08932	1.8
185.04211	0.4
186.06747	2.8
187.07539	0.5
188.08269	0.7
189.09105	23.5
191.10631	2.2
201.09114	8.7
203.10649	2.4
207.10262	1.1
219.10164	100.0
220.10464	2.9
221.11697	0.6
230.33952	0.5
237.11086	0.7
245.06442	1.1
245.09224	1.8
257.86911	0.4
258.63535	0.5
265.47879	0.5
273.08749	0.6
291.10364	0.5
295.10150	0.5
327.12262	0.6
331.04504	0.5
331.08066	1.2
355.15350	0.5
371.16650	0.5
407.14447	3.7
413.17944	1.1
449.15518	9.9
450.15826	0.8
493.14438	33.8
494.14685	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29110	0.8
50.72795	0.7
53.03934	1.6
55.01873	2.1
55.05512	3.8
57.03439	12.4
59.05024	1.7
61.02936	1.4
65.03936	0.8
67.05505	2.0
69.03429	6.2
69.17963	5.0
71.01349	1.4
71.04995	52.6
73.02927	3.7
75.04488	13.7
77.03925	0.9
78.00327	0.8
79.05499	4.4
80.41227	0.8
81.03415	2.4
81.07053	5.6
83.04987	21.4
85.02908	100.0
86.03259	0.8
87.04475	3.4
91.05472	5.4
91.65558	0.9
93.06453	2.0
93.07048	41.2
95.04961	8.0
95.08611	3.7
97.02906	7.6
97.06543	2.4
99.04445	2.3
99.32995	0.9
101.06046	1.7
103.03954	0.9
105.00092	0.9
105.04510	1.2
105.07049	5.0
107.04952	0.9
107.08601	2.9
109.02853	1.5
109.06533	3.4
111.04459	11.3
111.08086	5.6
113.06037	1.9
117.07030	1.2
119.08595	5.9
121.06546	1.3
121.10149	35.3
123.04413	1.2
123.08137	1.9
123.11698	1.6
124.98373	1.0
125.05965	1.1
127.03928	4.5
129.05482	38.0
131.08588	3.1
133.06483	1.0
133.10132	1.3
135.08107	2.6
135.11710	1.3
137.06003	3.4
138.05501	5.3
139.11183	6.2
145.04967	3.1
145.10144	4.6
147.06531	22.1
147.11722	2.0
149.09616	7.1
151.03934	1.1
156.06560	3.4
157.10065	1.3
159.08192	0.8
161.09650	2.3
161.13263	0.9
163.06087	1.0
163.07607	0.9
163.11191	4.3
165.07635	1.2
165.09074	1.5
167.10693	21.5
173.09616	1.5
175.11174	1.9
184.06042	7.2
187.11243	1.4
191.10678	3.6
199.09662	1.0
203.10582	1.7
209.04417	1.5
209.11739	13.8
231.13922	1.2
233.11687	1.8
255.08614	1.7
259.13293	2.5
273.09665	2.2
277.14429	3.3
286.09012	1.5
295.15451	6.6
307.97678	1.0
309.11716	2.4
311.14743	1.0
316.05884	1.5
331.08121	5.5
341.11136	1.5
493.13467	6.3
494.13126	6.6
517.08527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2564
Annotation	5,5'-Dimethoxy-alloagerasanin
Peak:m/z	Relative Intensity
52.21492	0.3
56.85005	0.3
60.39084	0.3
71.19842	0.3
79.70403	0.3
94.27991	0.3
97.69058	0.3
151.46864	0.3
157.97191	0.4
175.03712	0.4
216.91194	0.3
289.67847	0.3
373.63306	0.3
465.25998	0.7
493.25616	100.0
494.26010	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	493.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.8
55.54380	0.6
57.03446	7.0
57.07073	4.9
65.79794	0.5
67.05165	0.7
67.05510	14.2
69.07071	20.5
69.32417	0.7
69.32756	2.9
71.04980	1.2
71.08625	2.4
79.05504	6.6
81.07059	14.7
83.04990	0.6
83.08626	15.0
85.06539	0.8
85.10167	1.4
86.06017	0.5
91.05476	1.6
93.07047	8.3
95.04940	0.7
95.08612	13.9
97.06525	1.8
97.10181	7.9
98.22725	1.4
98.98470	36.1
105.07011	0.8
107.08593	4.6
109.10149	6.5
111.08078	2.0
111.11728	2.5
116.99605	0.6
121.06519	0.7
121.10148	8.3
123.11714	1.9
127.03921	0.6
133.10165	0.7
135.11705	5.9
137.00018	3.0
137.06006	0.7
137.13286	1.0
139.07553	0.9
139.11179	1.4
149.13222	1.4
151.07562	8.3
151.14784	0.7
153.09125	0.7
155.01047	43.4
163.14810	0.6
165.16434	1.1
177.09189	0.7
193.02582	1.3
211.03694	2.2
214.94336	0.6
229.04668	2.7
247.24269	2.6
265.25308	6.9
312.77524	0.6
339.28946	100.0
340.29254	3.0
361.27374	1.9
419.25577	1.0
475.28339	18.9
476.29428	0.6
493.25436	1.7
493.32413	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53259	1.8
55.05508	8.5
57.03435	5.7
57.07076	51.3
61.02917	2.6
67.05504	17.7
69.07067	15.1
69.52733	7.4
71.08627	36.3
75.04482	4.6
81.07060	26.5
83.08631	16.2
85.10185	22.5
91.05476	3.7
93.07042	3.5
93.08363	2.1
95.08604	37.6
97.10155	7.4
107.29832	2.1
109.10146	18.4
110.05982	1.8
111.11746	2.8
119.08562	2.8
123.11687	6.0
137.05984	5.5
137.13219	3.3
151.07536	4.9
155.05637	2.0
177.09090	2.4
204.29471	2.3
227.95818	2.2
239.23680	44.8
257.24695	5.6
282.32654	2.7
313.27362	100.0
314.27631	5.4
330.26630	2.2
331.28458	5.8
493.31213	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	493.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
57.03204	0.6
57.03440	4.9
57.07075	56.2
61.02249	0.6
61.02922	1.8
67.05163	0.8
67.05505	15.1
69.07067	11.2
69.39344	2.7
71.04989	1.1
71.08628	42.8
73.02909	0.5
75.04472	2.9
79.05488	1.6
81.07054	20.6
82.00494	0.6
83.08617	16.6
83.45618	0.6
85.02906	1.5
85.06536	0.8
85.10177	22.7
89.06033	1.0
91.03970	1.0
93.07029	1.8
95.08604	33.2
97.02892	1.0
97.10162	8.3
98.98460	0.9
99.11713	1.4
103.07616	0.6
103.16538	0.5
105.07057	0.5
107.08555	0.5
109.09422	1.0
109.10151	15.8
111.11698	2.6
113.13244	0.5
121.10117	1.7
123.11710	7.2
125.13274	2.0
137.13243	3.5
139.14784	1.5
151.14833	1.0
153.05457	0.5
155.01012	0.7
159.11710	0.7
165.16394	0.9
178.58827	0.5
184.80930	0.5
210.89632	0.5
221.22612	1.5
239.23679	41.2
240.24037	1.1
257.24765	5.0
298.27454	0.9
313.27344	100.0
314.27707	2.9
331.28357	5.4
339.28952	0.7
493.24921	1.4
493.31570	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	493.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58515	4.9
52.52494	4.6
55.05507	33.8
57.03441	10.8
57.07080	16.0
66.48187	5.1
67.05497	41.3
69.03417	6.9
69.07061	47.6
71.08622	11.9
79.05493	23.6
81.07051	68.4
83.04964	5.5
83.08627	25.9
91.05465	7.0
93.07047	36.5
95.04958	6.6
95.08609	61.4
97.06522	12.7
97.10175	13.4
98.98460	56.4
105.07039	12.6
107.08609	31.9
109.06528	7.1
109.10150	38.8
111.08134	7.0
111.11729	7.5
113.83897	5.6
119.08597	9.5
121.06458	5.7
121.10169	15.4
123.11703	13.1
124.93802	7.1
125.06020	5.2
131.08562	9.3
133.10146	9.9
135.11696	20.0
135.30255	5.6
137.06021	7.3
137.13281	10.0
139.07552	21.4
147.11644	10.6
149.13229	10.1
151.07559	12.2
155.01060	64.1
161.09665	5.5
161.13303	10.8
163.14917	8.1
165.05544	10.0
165.09155	14.5
165.12639	4.9
167.07083	11.4
169.05017	14.8
175.11183	6.2
177.09113	30.6
188.05150	5.0
193.08762	6.2
203.10661	10.4
215.18179	6.7
262.63919	6.2
265.25244	14.7
281.17517	21.6
319.26315	6.1
339.28946	100.0
439.32086	15.9
457.33456	28.3
475.28159	17.0
475.33945	19.5
493.22556	11.0
493.33051	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	494.148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33058	1.4
55.01865	3.7
59.15334	1.3
60.38846	1.2
65.03925	1.8
69.48045	3.3
69.48431	2.5
74.41163	1.2
79.05485	4.7
79.69010	1.4
81.07054	1.7
85.02907	5.5
87.61385	1.5
91.04937	2.2
91.05477	26.7
93.07037	4.7
95.04958	7.8
97.02883	2.5
102.04709	2.9
103.05458	9.4
105.07023	11.2
107.04957	3.5
107.08586	2.3
109.06522	3.2
111.95322	1.3
115.05451	2.8
118.04132	1.3
119.04942	27.4
119.08598	1.5
121.06507	3.9
122.03643	4.4
122.36883	1.3
123.04449	6.9
123.08110	1.5
124.03979	2.5
124.05206	5.6
127.03938	1.4
127.89526	1.4
128.08437	1.4
130.04144	8.7
131.04926	5.6
133.06482	12.4
133.10049	2.6
135.04410	5.3
135.11665	2.8
137.02370	6.8
137.05975	100.0
139.03955	3.7
143.04985	1.6
145.06494	5.0
147.04398	34.5
147.08047	2.0
147.11638	1.5
149.05988	9.3
150.06757	12.3
151.03897	9.2
151.07536	12.9
152.05679	5.5
153.01807	2.0
153.09128	3.5
161.05969	32.3
162.06757	45.5
165.09077	2.9
167.03381	10.8
173.05949	7.2
175.07614	1.5
177.05492	3.9
179.03351	1.6
179.07027	24.5
183.06496	8.8
183.10159	2.3
191.07037	3.2
193.03275	2.9
193.04971	7.5
201.05437	4.4
204.04149	5.0
207.06519	32.7
209.04402	2.2
218.03055	1.5
219.06511	25.3
231.06554	6.3
234.06783	1.6
237.09224	2.0
243.05910	1.6
249.07573	4.6
250.06346	1.4
261.07733	1.5
262.06265	1.8
265.08588	3.8
277.08603	2.3
288.05902	3.0
292.07422	1.9
293.08081	2.9
297.10657	1.4
300.05759	1.9
305.06668	1.7
307.09711	3.8
309.11200	2.8
315.05118	2.9
315.08621	3.3
316.05386	5.3
323.09082	20.3
325.10669	10.9
331.08017	11.6
332.08420	28.4
333.09750	8.1
337.10672	5.6
343.11685	19.9
355.11725	12.1
486.60471	1.6
494.14398	1.6
495.24374	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01865	3.2
55.05512	2.9
57.03432	7.8
59.04974	1.6
61.02920	2.3
65.03951	1.8
67.05501	5.4
69.03438	10.2
69.07062	3.9
69.20681	1.3
71.04984	3.5
73.02909	3.7
79.05501	8.9
81.03417	13.7
81.07068	6.1
83.08603	1.6
85.02908	30.3
87.00844	13.3
91.05487	94.1
91.23737	1.3
92.05803	1.5
93.07074	3.6
95.04971	6.6
95.08614	3.2
97.02901	30.9
99.04467	6.8
105.01904	10.5
105.03394	76.0
105.04505	2.8
105.07029	1.8
107.04945	3.4
107.08599	2.8
109.02890	8.6
109.10143	4.2
117.01835	1.2
117.07018	1.9
119.08569	2.5
119.79777	1.2
121.06545	1.3
123.04429	10.1
126.69936	1.1
127.03915	27.1
129.06981	1.6
133.10072	1.3
135.11649	1.7
137.09483	1.1
141.01825	2.2
145.04961	17.8
151.07565	5.5
159.02861	8.7
163.11172	1.8
177.05168	1.4
178.93074	1.3
179.07036	100.0
189.36848	1.2
195.06529	2.8
223.09688	2.1
231.05005	4.4
263.62613	1.2
283.09665	4.8
355.10181	3.0
402.41934	1.2
473.97379	1.4
476.30573	2.9
493.31613	1.4
494.32370	2.0
496.54184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01865	2.4
57.03438	5.3
61.02931	9.1
65.03938	0.8
69.03431	16.7
69.03809	0.8
71.04989	1.8
73.02923	3.6
73.67178	0.4
81.03419	7.2
83.01343	0.8
85.02907	100.0
86.03261	0.7
87.04474	2.0
91.03960	5.9
97.02898	25.4
99.04449	3.9
101.02380	0.8
103.03930	1.1
104.30870	0.3
109.02885	8.5
115.03956	0.9
121.02869	24.2
127.03191	0.5
127.03916	26.9
145.04962	49.3
146.05290	0.5
153.05472	30.6
154.05818	0.6
163.06026	18.8
168.40213	0.4
174.69714	0.4
271.07990	0.5
293.78970	0.4
325.11182	0.7
331.07968	0.5
332.08377	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70654	0.5
53.03941	1.6
53.46663	0.5
54.52861	0.6
55.01872	1.9
56.51696	0.5
57.03444	4.6
58.16033	0.5
59.87957	0.6
61.02926	7.5
65.03908	0.8
67.48777	0.5
69.03065	0.9
69.03427	15.6
69.26684	3.1
69.26970	0.9
69.61385	0.5
70.94554	0.5
71.01349	0.6
71.04988	2.0
73.02917	3.3
81.03410	5.9
83.01324	0.9
85.02902	100.0
86.03221	0.9
87.04467	1.5
91.03962	5.4
96.14761	0.5
97.02891	22.8
99.04445	3.7
101.02377	0.9
109.02885	8.0
115.03951	0.9
117.05403	0.6
121.02867	21.4
122.03133	0.6
127.03915	25.9
140.58499	0.5
145.04953	51.4
153.05458	33.1
163.06017	22.7
169.13826	0.5
180.24716	0.5
325.11127	0.7
407.57413	0.6
416.09836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01851	0.8
55.05511	1.3
57.03434	10.0
58.69570	0.6
59.05000	0.7
69.03429	2.5
69.37125	3.4
71.01342	0.8
71.04990	74.2
73.02908	2.4
75.04474	4.8
79.76066	0.7
81.03422	1.6
81.88831	0.7
83.04973	7.9
85.02901	100.0
87.04456	2.1
91.05525	0.9
97.02878	3.2
99.04457	1.1
101.06028	1.3
103.03945	0.9
107.42578	0.7
109.02869	1.0
110.06058	0.7
111.04419	3.8
111.17314	0.6
122.68637	0.7
127.03902	4.6
129.05475	51.5
135.51619	0.7
137.02335	20.4
145.04939	2.1
146.08160	2.8
147.06525	26.4
150.11510	0.7
151.03958	0.7
163.06087	1.0
164.09187	4.0
167.03430	2.1
169.04961	24.0
179.07074	1.1
183.06541	1.0
207.06522	2.3
223.25494	0.7
237.07541	0.9
255.08652	1.8
271.36618	0.7
315.26468	0.7
315.53555	0.8
331.08160	1.5
332.08481	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01869	2.1
57.03426	5.2
61.02931	7.3
69.03425	17.3
69.07067	2.2
69.68122	2.2
69.68504	2.4
71.04993	2.7
73.02911	3.6
79.05483	6.8
81.03423	6.4
81.07053	3.4
82.28550	1.1
85.02903	100.0
86.03195	1.4
87.04453	1.8
91.03959	4.1
91.05475	16.3
93.07043	80.6
93.89468	1.1
95.04973	5.3
95.08621	3.2
97.02885	22.5
99.04463	3.2
105.04506	1.2
105.07041	4.5
106.47968	1.1
107.08593	41.9
109.02880	7.3
109.06536	1.7
109.10137	1.7
119.04948	4.1
119.06033	1.4
119.08596	1.1
127.03915	24.9
133.10149	1.5
135.11690	88.9
137.05968	2.8
137.13266	1.1
139.03893	2.8
145.04958	49.3
147.04413	9.8
153.12788	11.7
157.10106	1.1
163.06018	20.2
163.07365	1.3
181.04803	1.2
185.04456	4.5
190.08571	1.7
195.06535	3.1
265.14462	7.3
288.86758	1.2
325.11292	3.7
332.07886	1.2
348.15500	1.3
348.19247	5.2
519.98901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01862	9.8
55.05505	13.4
57.03439	7.8
61.02920	6.4
65.12280	3.3
67.05508	21.1
69.03433	45.6
69.07056	13.5
71.04980	14.1
73.02920	6.0
79.05476	8.8
81.03404	31.1
81.07058	30.5
83.08611	12.6
85.02910	100.0
85.06548	4.0
87.00819	42.8
91.05466	9.9
93.07043	14.1
95.08611	44.1
97.02892	37.6
97.06519	12.9
97.10187	9.5
99.04465	19.8
99.08052	4.0
105.01875	40.5
105.07026	8.6
107.08579	9.9
109.02881	40.5
109.10168	34.0
111.08059	3.8
111.19809	4.0
119.08578	16.6
127.03921	86.0
129.01733	3.7
129.09113	4.1
133.10118	14.8
135.11653	5.9
145.04948	26.8
147.11699	6.8
149.13229	7.6
151.07521	4.0
151.14801	15.0
159.02917	17.5
175.14810	71.1
185.04530	3.6
193.15889	65.6
211.16933	71.3
212.17261	3.9
213.03979	8.6
229.17969	45.7
231.05014	18.2
366.29208	4.0
424.49286	4.0
494.23407	12.1
495.18094	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01878	3.7
55.05514	7.8
57.03442	3.9
59.05000	1.8
60.04526	37.7
67.05504	11.3
69.03434	12.0
69.07064	12.2
69.80487	5.1
70.06597	2.0
71.04988	6.1
72.12545	1.7
73.02908	2.7
79.05511	9.8
81.03422	6.3
81.07068	16.7
82.06572	1.5
83.08607	6.0
84.08153	1.9
85.02905	29.7
85.06549	2.1
87.00823	8.2
91.05473	6.6
93.07040	13.7
95.04983	3.5
95.08602	26.8
97.02898	8.9
97.06536	7.8
97.10183	4.8
99.04460	6.4
100.61147	1.7
104.39485	1.7
105.01871	9.7
105.07034	8.0
107.08591	18.9
109.02881	5.6
109.06563	8.3
109.10149	25.1
111.08036	3.3
115.07570	5.4
119.08573	16.0
121.10150	10.5
123.08101	5.5
123.11694	14.5
126.80764	1.8
126.98782	1.7
127.03906	16.0
131.08588	2.3
133.10136	35.4
135.08015	2.0
135.11693	32.3
137.09615	7.0
139.03954	1.9
140.65341	1.7
145.04933	4.6
145.10164	2.1
147.04419	3.0
147.11722	4.4
149.09650	1.9
149.13283	12.0
151.07503	9.5
153.12779	3.5
159.03017	2.7
163.11298	1.7
165.07063	2.1
175.14841	46.2
177.16373	5.8
191.10652	2.5
191.28621	1.8
193.15877	65.7
195.11551	1.9
211.16927	100.0
212.17195	2.5
231.04933	3.0
249.06058	2.3
296.25714	3.1
297.17120	4.8
314.26950	7.4
316.13641	1.8
332.27933	35.9
353.11438	2.3
410.37463	2.0
423.20328	2.7
441.21460	2.5
494.27292	2.6
494.33456	29.4
495.17264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.8
57.03431	8.1
67.05470	2.7
69.03426	3.8
69.07078	15.5
71.04990	68.7
75.04471	6.0
76.90118	2.5
76.97324	2.3
80.68008	2.4
81.07057	6.7
83.04977	14.5
85.02903	100.0
85.03416	5.0
86.46274	2.5
88.82849	2.7
91.05471	3.8
93.07082	2.7
95.08595	3.0
100.11241	10.4
111.04451	12.4
121.10116	5.4
123.11689	11.8
127.04001	4.1
128.07074	3.1
129.05475	43.2
147.06549	17.0
151.11188	19.0
154.12270	6.3
155.12610	3.4
168.13876	5.4
182.11691	6.4
182.15373	5.3
196.13248	4.5
209.04416	5.4
222.19530	2.4
297.17035	13.6
312.26196	3.8
313.26721	3.3
409.29596	3.1
423.30237	3.3
424.81433	3.1
450.17715	2.8
476.36435	3.8
494.17197	13.1
494.37823	16.8
495.25284	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	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01865	2.1
55.05503	3.8
57.03436	9.2
61.73291	1.1
64.22429	1.1
66.86644	1.0
67.05510	4.7
69.03432	4.6
69.07065	5.9
71.04993	76.9
71.43528	1.0
73.02905	2.9
75.04486	3.3
79.05486	1.8
80.50640	1.1
81.03422	3.1
81.07056	4.0
83.04980	6.6
83.08633	1.2
85.02905	100.0
87.00813	2.1
87.04485	1.2
91.05478	2.2
93.07033	3.2
95.04979	2.6
95.08610	3.8
97.02881	4.1
98.97588	1.3
99.04456	3.0
99.08102	1.8
101.05991	1.1
103.03939	1.8
105.07018	2.8
107.04927	1.1
107.08595	2.8
109.02898	1.4
109.06495	1.9
109.10138	5.9
111.04451	5.1
115.12334	1.0
117.07017	1.3
119.08566	1.5
121.10120	2.7
123.08084	1.6
123.11695	2.8
125.01573	2.6
127.03911	7.1
129.05484	42.6
133.10146	2.7
134.10535	1.1
135.11684	1.1
144.06500	1.1
145.04961	2.2
146.08095	1.5
147.06509	21.5
147.11687	1.2
149.09683	1.0
151.11151	1.7
158.10664	1.1
159.11771	1.3
162.07693	1.7
164.09192	8.2
167.10704	1.1
169.12276	2.8
175.11263	1.9
180.08673	3.2
193.12241	3.6
205.01622	1.0
209.11755	1.3
211.05228	3.0
211.16823	1.5
229.17935	2.7
235.13431	1.0
255.08627	1.4
261.14679	1.9
264.13272	0.9
267.15863	0.9
269.17523	2.9
279.16010	1.8
450.11954	1.8
494.11502	12.1
494.18365	1.6
494.20758	1.0
494.27414	1.4
495.11069	1.9
495.17691	1.4
506.44547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.05500	7.7
57.03442	3.1
61.02929	2.1
62.26486	2.0
67.05499	5.2
69.03422	7.5
69.07062	13.4
69.52158	9.1
71.04984	7.2
79.05486	3.5
81.03404	4.3
81.07043	15.5
83.08613	8.6
85.02909	21.8
85.06545	3.3
87.00818	8.6
91.05476	4.0
93.07053	12.1
95.04984	5.5
95.08611	30.1
97.02877	7.4
97.06516	14.9
99.04463	9.7
105.01836	11.1
105.07041	8.5
107.08601	20.2
109.02869	9.4
109.06516	10.3
109.10153	23.2
111.08092	4.6
111.11703	2.3
115.07561	13.4
119.08582	18.6
121.10138	8.2
123.08031	5.5
123.11698	11.7
125.09599	2.4
127.03940	12.7
127.11227	4.0
133.10130	39.3
135.11702	35.1
137.09610	6.0
137.13284	2.9
145.04950	6.4
147.04442	2.6
147.11670	5.7
149.13283	11.7
151.11191	2.5
153.12750	2.5
154.23434	2.4
159.02881	4.0
163.11278	1.9
165.12740	2.9
166.49944	1.9
167.14337	5.9
175.14819	53.2
177.16391	5.9
183.13759	2.9
191.14279	2.0
193.15866	75.2
194.16176	2.7
209.12148	2.3
209.15378	7.8
210.15773	4.3
211.16939	100.0
231.04927	3.1
240.54498	2.0
271.41617	2.1
275.99365	2.0
283.15454	6.4
423.20114	5.8
441.21030	5.9
459.22189	3.0
485.24014	2.0
495.18713	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	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.01871	10.9
55.05502	6.8
57.03429	5.0
57.07062	2.5
57.12949	1.3
59.05017	1.5
61.02930	4.4
61.39444	1.6
65.03939	4.2
67.05496	9.7
69.03432	21.6
69.07065	13.9
69.44701	1.4
71.04987	6.5
73.02905	3.9
78.03469	1.8
79.05488	6.4
81.03424	8.3
81.07056	17.5
83.04974	4.6
83.08611	3.9
85.02901	49.0
85.06544	4.7
87.00827	16.2
91.05484	5.1
93.07050	23.5
95.01282	2.1
95.04955	6.7
95.08604	27.6
96.40828	1.5
97.02892	14.3
97.06520	7.4
98.22711	3.7
99.04457	6.1
103.03976	2.0
105.01864	32.7
105.07026	19.3
106.02908	4.7
107.08595	33.3
109.02879	11.1
109.06512	8.8
109.10144	18.4
111.08070	9.2
113.06020	2.2
117.06992	2.1
119.08579	43.9
121.06519	4.3
121.09376	2.6
121.10145	25.9
123.08070	9.2
123.11685	5.6
124.03948	5.3
125.09585	2.1
127.03918	26.1
127.07530	2.1
129.76793	1.7
131.08611	3.5
133.06575	1.5
133.10121	33.1
135.11699	26.0
137.02370	1.8
137.05968	3.2
137.09613	14.0
137.13260	1.7
138.03156	2.1
138.09050	2.0
138.10417	2.1
139.03870	1.7
139.11156	3.7
141.01826	2.3
143.06903	1.5
145.04967	9.5
145.10101	10.7
147.11719	8.3
149.09605	5.1
149.13264	6.8
151.07532	4.6
151.14803	2.0
153.01840	6.5
153.05492	4.0
159.02922	3.3
163.11168	16.5
165.12762	4.9
166.08684	3.3
167.03389	11.4
167.10732	8.1
169.08592	54.0
172.03862	1.5
173.04430	1.9
175.14830	58.0
176.15118	2.3
177.01843	1.5
181.04959	66.0
181.12245	8.3
185.11716	2.7
191.10646	8.1
191.14284	1.7
193.15878	67.4
195.02869	2.8
205.05002	1.8
206.05696	2.4
209.11749	6.7
211.17076	2.4
219.02859	6.8
219.10217	2.9
220.10519	2.3
227.12764	52.0
231.04991	12.5
233.04500	5.9
234.05374	1.7
244.03537	2.0
245.04326	1.8
249.06027	13.7
250.06964	2.2
261.03964	3.2
268.08047	2.4
283.15408	9.9
289.03430	2.4
290.04184	3.4
301.03473	5.1
301.16409	32.5
318.03714	42.3
332.08340	3.1
333.06021	100.0
395.20493	2.0
400.58002	1.8
405.19104	3.1
423.20078	2.9
441.21130	4.6
494.30203	3.3
495.18240	4.7
513.73364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01862	9.8
55.05505	13.4
57.03439	7.8
61.02920	6.4
65.12280	3.3
67.05508	21.1
69.03433	45.6
69.07056	13.5
71.04980	14.1
73.02920	6.0
79.05476	8.8
81.03404	31.1
81.07058	30.5
83.08611	12.6
85.02910	100.0
85.06548	4.0
87.00819	42.8
91.05466	9.9
93.07043	14.1
95.08611	44.1
97.02892	37.6
97.06519	12.9
97.10187	9.5
99.04465	19.8
99.08052	4.0
105.01875	40.5
105.07026	8.6
107.08579	9.9
109.02881	40.5
109.10168	34.0
111.08059	3.8
111.19809	4.0
119.08578	16.6
127.03921	86.0
129.01733	3.7
129.09113	4.1
133.10118	14.8
135.11653	5.9
145.04948	26.8
147.11699	6.8
149.13229	7.6
151.07521	4.0
151.14801	15.0
159.02917	17.5
175.14810	71.1
185.04530	3.6
193.15889	65.6
211.16933	71.3
212.17261	3.9
213.03979	8.6
229.17969	45.7
231.05014	18.2
366.29208	4.0
424.49286	4.0
494.23407	12.1
495.18094	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.8
56.05043	1.4
57.03419	0.8
57.07077	5.1
60.08167	7.5
67.05518	4.4
69.07064	3.9
69.33292	4.1
71.07366	3.2
79.05485	5.2
81.07050	10.6
83.04996	1.0
83.08612	2.9
86.09710	22.6
88.07620	1.3
89.97488	0.8
91.05478	8.4
93.07043	18.7
95.04951	1.3
95.08606	11.5
97.10179	2.6
98.02220	0.8
98.22824	2.6
98.98454	1.3
104.10744	42.9
105.07037	10.8
105.74477	0.8
107.08597	18.8
108.15241	0.9
109.10159	8.1
117.07046	2.3
119.08585	19.6
121.10151	15.7
123.08080	2.3
123.11720	2.5
125.00011	11.3
128.06230	1.8
129.06969	4.7
131.08563	8.2
133.10143	6.3
135.08058	1.5
135.11696	29.3
137.09628	7.8
141.07008	2.7
142.07794	2.4
143.08548	9.7
145.10114	9.8
147.08043	1.5
147.11690	4.0
149.02380	1.3
149.09631	1.6
153.07013	1.6
155.08511	4.0
156.09377	1.6
157.10126	12.7
159.11700	6.8
161.09593	1.1
161.13266	4.5
163.11189	2.2
165.07005	2.2
166.07799	2.4
167.08553	8.2
168.09294	1.3
169.10133	7.2
170.10878	1.7
171.11705	8.8
173.09706	1.1
173.13251	7.7
175.11186	4.1
177.12819	1.4
179.08614	3.9
179.10687	1.2
180.09364	2.4
181.10123	24.9
181.11705	1.2
182.10835	1.1
183.11667	7.7
184.07346	41.8
185.09654	2.7
185.13263	12.2
187.11212	1.6
187.14850	3.6
189.12759	4.7
193.04910	1.4
193.10129	2.4
194.10956	4.2
195.11687	18.2
196.12286	1.1
197.13312	3.0
199.11214	1.3
199.14784	10.4
200.20178	1.5
201.12773	3.3
203.14339	2.3
207.11757	2.3
208.12526	2.1
209.13261	15.4
209.61507	0.8
210.14066	2.2
211.14842	3.3
213.12790	2.9
213.16431	2.4
221.13332	1.2
222.13826	0.9
222.68593	0.8
223.14839	17.7
224.15480	1.2
225.16374	8.1
227.14307	9.6
235.14743	1.3
237.16415	8.9
239.17967	3.5
241.15891	2.8
241.19556	1.7
245.15300	0.9
250.17221	1.2
255.17542	1.8
255.21068	10.8
265.19525	66.0
266.19891	2.2
267.17386	1.9
283.20560	100.0
284.20786	2.1
297.52582	0.8
301.18289	0.6
301.21582	18.7
325.21613	22.8
343.22632	11.1
357.24307	1.7
385.23737	1.1
387.73663	0.9
403.24701	3.8
417.26169	2.1
439.19363	0.8
439.66788	1.0
473.76315	1.0
476.31497	3.9
494.32025	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
51.34782	0.3
51.80011	0.3
55.05509	2.5
56.05043	0.8
57.03444	0.4
57.07069	0.9
58.06602	1.2
60.08163	18.2
67.05497	2.2
69.07071	3.2
71.04987	0.4
71.07372	6.5
71.08634	0.4
74.20507	0.3
79.05487	1.0
81.07047	2.1
83.08633	1.6
86.09704	50.4
87.04464	0.6
87.10012	0.5
93.07037	1.2
95.08592	1.8
97.10181	0.5
98.98460	3.2
103.68525	0.4
104.07124	1.7
104.10739	98.8
105.11078	1.0
107.08569	0.6
109.10114	0.5
120.65887	0.3
121.10152	0.7
124.99999	29.6
135.11665	0.7
137.05983	0.5
149.02344	1.0
184.07333	100.0
185.07689	1.0
193.04985	0.7
194.56897	0.4
205.08655	0.4
237.07585	0.8
258.11029	0.8
284.29559	0.6
311.25888	1.3
427.90552	0.4
476.31332	8.6
494.32425	35.3
495.32999	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
56.05032	0.6
57.03439	0.3
57.07072	0.2
58.06361	0.2
58.06628	0.5
59.07386	0.2
60.08162	5.7
65.21429	0.2
67.05504	0.2
69.07056	0.2
69.89690	0.6
70.06591	0.6
71.07377	2.1
81.07058	0.3
83.08624	0.3
86.09699	28.0
87.10046	0.2
88.07623	0.4
90.95726	0.2
93.32526	0.2
95.08569	0.2
98.98453	2.7
102.09159	0.3
104.10736	2.7
105.02444	0.2
124.99995	19.7
132.36064	0.2
149.02357	1.3
153.22151	0.2
158.03004	0.2
184.07330	100.0
185.07663	1.0
193.04947	1.2
237.07498	1.4
284.29422	0.8
476.31537	1.2
494.33850	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	494.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21049	5.5
63.12102	5.0
69.03416	7.8
69.07037	6.0
69.18403	31.4
73.06558	6.9
75.21777	5.6
77.86651	5.7
79.05489	9.4
81.07062	8.7
94.84571	5.0
95.08608	10.6
98.22758	10.0
107.04931	6.0
107.08602	6.4
109.10137	6.3
119.08577	5.8
129.05424	8.6
133.10175	5.0
137.05962	18.9
138.06740	11.6
139.03969	10.6
139.07501	12.0
143.06993	14.8
151.07535	73.4
153.05472	10.9
154.06224	41.5
155.65823	5.4
155.80742	5.3
161.03343	5.7
166.06250	9.3
167.07103	11.8
168.07794	8.3
169.08643	19.5
181.08600	14.1
182.99539	5.5
205.86714	5.6
283.26328	23.4
385.26999	8.9
445.29294	19.2
458.39420	5.6
477.32117	100.0
508.85263	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	494.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37122	1.1
55.05500	4.0
57.07066	2.4
67.05500	8.3
69.03434	1.7
69.07062	5.5
70.61174	2.3
70.61504	1.3
79.05479	7.1
79.64590	1.1
81.07053	9.3
83.04980	1.3
83.08625	2.3
91.05473	8.9
93.07043	20.6
95.08603	13.5
97.06544	1.5
97.10185	1.6
105.07040	13.9
107.08591	25.6
109.10157	9.6
117.07014	3.9
117.30100	1.2
119.08599	12.5
121.10147	14.3
123.08089	2.5
123.11758	1.8
128.06270	1.7
129.06999	6.1
130.07776	1.8
131.08560	10.0
133.10098	7.1
135.11691	35.0
137.09596	10.2
138.60503	1.0
141.07007	3.0
143.08569	13.6
144.09314	1.4
145.10124	10.8
147.08041	1.3
147.11725	5.5
149.02333	2.0
149.09641	1.2
154.07745	1.6
155.08528	3.8
156.09320	1.8
157.10135	14.0
159.11699	7.3
160.74794	1.3
161.13277	2.9
163.11270	2.7
165.06972	1.9
167.08548	5.1
168.09351	1.2
169.10060	7.3
171.08058	1.8
171.11627	10.0
173.13260	5.8
175.11234	1.6
175.14819	1.6
177.12784	1.3
179.08533	1.6
180.09326	1.1
181.10097	12.5
183.06001	1.2
183.11687	5.5
185.09679	1.5
185.13255	10.4
189.12740	4.4
191.14296	3.2
193.05014	1.8
194.10875	2.2
195.11703	14.3
197.13249	3.4
199.14821	19.3
201.12791	2.0
203.14252	3.8
209.13251	12.7
211.14847	3.6
213.12724	3.1
213.16397	2.8
223.14793	8.1
224.15608	1.6
225.16377	9.1
227.14264	9.5
227.17932	1.5
237.16354	4.4
239.17952	2.5
241.15939	2.5
241.19696	2.4
243.17410	3.3
255.17273	2.3
255.18217	1.7
255.21091	18.9
265.19498	30.8
266.19949	1.5
273.22128	4.5
283.20551	100.0
284.20862	3.3
284.29337	2.1
301.21606	33.7
302.21933	1.9
342.24228	1.9
361.23801	3.7
494.25900	8.3
494.34735	3.5
495.23453	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	495.1137
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.03941	1.2
53.75647	0.5
55.01870	3.5
55.05500	0.8
56.14563	0.5
57.03444	2.8
58.81028	0.6
60.67240	0.5
61.02917	1.9
65.03945	3.0
67.05517	2.4
68.20007	0.5
69.03424	5.4
69.07066	5.2
69.18797	2.7
71.01353	0.6
71.04994	1.9
75.43565	0.5
79.05495	2.0
81.03443	3.1
81.07063	3.6
82.04189	1.1
83.04965	0.7
85.02903	14.3
85.06535	1.1
87.00813	0.5
91.03973	0.8
91.05479	1.4
93.03386	0.6
93.07066	4.6
93.96674	0.5
95.04964	2.0
95.08621	3.8
97.02907	4.8
97.06528	3.7
99.04460	2.3
105.01875	1.4
105.07037	3.0
107.04968	0.6
107.08600	8.9
108.02096	0.8
109.02878	2.5
109.06503	2.3
109.10192	1.4
110.03699	1.4
111.04412	0.6
111.08100	1.3
113.06025	0.8
117.07063	0.6
119.08531	2.5
121.02748	0.6
121.06496	2.0
121.10130	4.7
123.08047	2.2
124.03969	0.6
125.06010	1.4
127.03913	2.3
133.02823	1.0
133.10138	1.6
135.08031	0.8
135.11736	3.3
136.01549	0.6
137.02359	1.2
138.03113	0.6
139.11148	0.9
140.07109	2.7
141.01804	1.0
145.04979	3.1
145.10104	2.3
147.04402	0.7
147.11615	1.0
149.09618	1.8
151.07538	1.8
152.01053	0.7
153.01816	5.0
153.05478	2.8
153.12706	1.0
157.05006	0.6
157.08604	0.6
158.60361	0.5
159.04451	1.2
163.11174	6.8
167.03394	11.1
167.10660	3.4
168.06546	4.5
169.08600	24.7
171.04372	0.8
171.06503	2.1
173.09579	0.6
175.03947	1.0
175.14827	1.2
176.15138	1.1
177.01828	1.4
179.03368	1.6
181.04953	48.0
181.12206	3.4
181.92943	0.5
182.05363	1.1
185.11703	1.2
187.03957	0.8
191.03448	1.3
191.10675	3.9
193.15894	2.3
194.16145	0.7
195.02875	2.8
197.04539	1.1
201.05403	0.6
204.04268	0.5
205.04907	2.5
206.05690	0.8
207.02864	0.9
207.06438	0.6
208.03717	1.5
209.04457	0.8
209.11729	3.0
211.16988	0.6
215.03490	0.7
217.04976	0.8
219.02901	7.0
219.06508	1.0
227.12776	22.7
233.04382	5.0
234.05208	1.5
243.02893	1.3
244.03665	2.7
245.04422	1.9
247.02274	0.7
247.06018	1.2
251.05612	0.6
257.53949	0.5
261.03979	2.7
263.05563	3.2
273.03867	1.0
275.05426	1.4
283.15384	3.7
289.03464	2.7
290.04251	2.6
293.06412	0.6
301.03482	4.3
301.16425	12.7
315.09601	0.6
318.03693	38.6
319.04034	1.3
333.06027	100.0
334.06265	2.4
427.97516	0.6
451.19363	2.3
477.19632	0.9
495.18582	7.3
496.26563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05507	1.3
57.03415	0.4
65.03935	3.8
68.02644	0.4
69.03441	0.3
70.59090	0.5
79.05481	0.3
81.03422	1.9
83.04956	0.6
85.02900	3.8
93.03386	1.6
96.02123	0.3
97.02924	0.3
103.03944	0.4
107.01339	0.3
107.04945	0.3
111.04447	2.0
121.02908	0.3
121.03948	0.3
124.01562	1.5
125.02341	0.8
125.05982	0.3
126.03135	0.5
127.03940	0.3
131.04921	0.8
133.02870	1.2
138.03062	0.5
139.03891	0.9
140.40285	0.3
145.02763	0.3
147.04402	0.6
149.02292	0.3
150.03159	1.2
151.03899	0.6
152.01045	5.4
153.05443	0.5
157.04953	9.5
159.04395	1.2
161.67285	0.3
162.03110	0.6
163.03851	0.4
165.05379	0.3
166.02580	0.6
167.03384	100.0
168.03726	1.7
171.04385	0.3
175.03905	0.5
176.04681	0.7
177.01814	2.8
177.05391	0.7
178.02618	0.4
179.03389	0.8
181.04951	7.2
187.03860	1.5
190.02553	0.4
191.03365	1.8
192.04184	0.4
193.04956	1.0
194.02107	0.9
195.02846	1.1
197.04388	1.2
199.03902	1.3
204.04166	1.3
205.04944	2.4
206.02069	0.3
207.02901	0.5
207.06444	0.4
209.04440	6.7
215.03322	1.1
216.04196	0.5
219.02892	0.4
219.06512	1.6
221.04430	2.3
227.05484	1.1
229.05006	0.7
231.02954	0.5
231.06529	0.4
232.03603	0.4
233.04430	2.8
243.02927	0.7
247.06021	3.3
249.03754	0.3
251.05531	1.9
257.04352	0.8
260.03180	1.4
263.05463	1.9
269.06439	1.2
275.05481	6.4
276.05908	0.4
293.06525	4.3
311.07532	1.0
459.09265	0.3
472.18167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.2
53.03931	0.2
55.01876	0.8
55.05513	1.2
57.03424	0.5
65.03944	4.4
67.05494	0.3
68.02654	0.5
68.99783	0.4
69.03431	1.2
69.99705	0.4
73.02879	0.2
73.03423	0.2
79.01819	0.3
79.05515	0.4
81.03417	2.5
81.07047	0.2
83.04975	1.3
85.02411	0.4
85.02905	6.1
91.05485	0.2
93.03402	1.4
93.07031	0.2
95.04978	0.4
96.02103	0.4
97.02885	0.5
98.23366	0.3
103.03925	0.5
107.01312	0.5
107.04951	0.2
109.02876	0.6
109.10189	0.2
110.03693	0.4
111.04441	2.4
112.01516	0.2
119.04919	0.2
121.02866	0.6
121.03988	0.3
123.04378	0.3
124.01573	2.2
125.02343	0.7
125.05952	0.3
126.03139	0.8
127.03890	0.5
131.04912	0.7
133.02824	0.2
135.11670	0.2
137.02351	0.5
137.05960	0.3
138.03104	0.4
139.03885	1.6
141.05437	0.4
142.02588	0.4
147.04391	0.3
149.02312	0.9
150.03134	1.6
151.03883	1.2
152.01045	7.8
153.01553	0.2
153.05478	0.4
153.09189	0.2
157.04962	9.9
159.04407	1.2
161.05927	0.2
162.03217	0.2
163.03868	0.2
165.05490	0.2
166.02553	0.9
167.03389	100.0
168.03728	2.3
168.76767	0.2
169.10115	0.4
173.05968	0.2
175.03853	0.5
176.04681	0.6
177.01833	2.3
177.05476	0.6
178.02602	0.2
179.03394	1.2
179.07033	0.3
180.00526	2.5
181.04961	3.6
185.04437	1.2
187.03860	1.0
190.02660	0.3
191.03383	1.1
191.07051	0.3
193.01375	0.5
193.04938	0.7
194.02098	2.1
194.08936	0.2
195.02888	10.9
196.03261	0.3
197.04468	1.3
199.03844	0.3
203.03375	0.3
204.04181	0.6
205.04976	1.1
206.02151	0.2
207.02905	0.5
207.06541	0.5
209.04449	20.1
210.04761	0.3
211.02316	0.6
215.03348	0.7
217.04871	0.2
219.03081	0.2
219.06653	0.9
221.04494	1.5
223.05939	0.3
225.03941	0.6
227.05438	0.3
229.04825	0.2
231.02898	0.2
232.03731	0.4
233.04395	1.2
237.04031	0.2
243.02817	0.3
245.04396	0.2
247.06018	2.1
249.03986	0.3
251.05473	1.2
257.04453	0.5
260.03165	0.5
263.05469	0.8
265.07108	0.2
269.06561	3.2
275.05469	4.0
293.06516	1.7
311.07791	0.3
317.05975	0.3
318.06415	0.3
331.08017	0.4
333.08896	0.5
370.03574	0.2
451.14816	0.2
459.08939	0.2
460.26944	0.2
477.10010	0.8
495.13199	0.7
495.19064	0.4
495.29803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.7
56.64401	1.2
57.03434	5.1
65.11892	1.0
67.05495	2.1
69.85690	3.9
71.01356	1.4
72.76676	1.1
79.05485	7.6
81.03404	1.6
81.07059	3.3
85.02897	6.9
91.05471	17.2
92.72043	1.2
93.07045	8.1
95.01322	2.8
95.04971	1.4
97.02853	1.3
100.03221	1.0
101.02362	1.2
103.03884	1.2
105.07044	1.8
107.04939	5.8
107.08566	7.5
109.06527	1.7
111.04436	1.6
111.08167	1.2
113.02416	2.1
115.68752	1.1
117.07015	16.4
119.03430	4.3
119.08576	19.7
121.06508	18.8
123.04431	2.0
125.06012	2.6
129.07034	1.9
135.08041	33.1
137.06013	3.9
137.09666	3.7
139.03911	5.1
141.01828	6.9
145.06477	18.3
147.04399	6.1
147.08054	30.9
149.05988	5.1
151.04053	1.1
153.09091	7.7
155.07069	1.6
159.02925	2.3
163.07538	100.0
165.05518	2.7
165.09109	26.7
167.07027	1.6
181.08589	43.9
191.07053	11.1
194.47787	1.1
199.09724	5.5
205.10495	3.8
209.08096	12.9
227.09126	27.6
227.91174	1.5
251.11073	5.7
267.08475	1.3
283.11810	5.4
295.04306	1.3
301.12814	94.2
302.13135	1.7
319.13971	2.5
413.13687	1.4
435.60095	1.4
477.15616	3.3
495.20056	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67633	0.9
56.07432	0.8
57.03417	0.7
59.64942	0.8
65.03944	1.3
69.03423	1.7
69.49165	2.4
69.49571	2.0
85.02911	2.2
91.05491	1.2
107.08606	1.3
109.02911	1.5
119.08609	1.4
123.08044	1.1
147.04393	1.6
151.03961	1.9
151.07671	1.0
152.01131	1.0
157.05019	2.1
163.03848	1.1
167.03407	23.7
175.03859	1.5
176.07533	0.8
179.03293	0.9
181.04962	3.1
189.09023	2.0
190.09428	1.6
191.03407	2.5
193.04922	1.2
195.02910	3.8
197.04364	1.6
205.04941	3.1
219.02863	1.1
219.10172	4.2
220.08754	0.9
220.10457	4.6
221.10690	4.6
233.04498	2.8
247.13123	2.5
251.05539	2.5
263.05591	5.1
271.03979	0.8
289.05292	3.5
318.03610	1.1
327.12466	0.9
333.06082	3.3
343.08563	0.9
409.18298	5.7
451.19443	31.8
452.24579	1.2
495.18411	100.0
496.18680	4.7
496.25595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1838
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.41064	0.9
60.04526	1.0
61.72289	1.0
63.55814	0.9
64.89194	0.9
69.32278	1.9
69.32636	4.5
79.05508	1.3
81.07064	3.5
85.02897	3.8
91.05466	1.3
93.07079	1.6
95.08621	1.7
97.02887	1.2
98.97578	1.3
98.98484	1.1
123.04451	2.1
124.27054	1.0
127.03915	1.3
145.04953	1.2
149.05910	1.2
149.98116	0.9
151.07541	2.1
169.36961	0.9
181.13625	0.9
185.04190	1.2
191.10617	2.2
207.10184	1.1
213.12703	2.9
232.05031	1.1
247.13083	9.8
271.04297	6.2
409.18225	6.1
424.34958	1.1
435.17020	1.5
451.19351	22.7
495.18332	100.0
496.18619	3.9
518.03271	0.9
521.37677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
59.35443	0.4
64.11289	0.4
67.05511	0.8
69.03421	1.0
69.15465	0.6
69.15870	2.2
71.04992	0.4
79.05494	0.9
81.03429	0.8
81.07053	2.1
85.02897	3.4
86.03217	0.5
87.00838	1.4
91.05484	1.4
92.05779	0.5
93.07075	2.7
94.40559	0.4
95.04958	0.4
95.08601	1.8
97.02915	0.9
105.01871	2.2
105.07047	2.1
106.02232	0.7
107.01075	0.6
107.08601	1.5
108.08968	0.5
109.02901	1.1
109.10165	1.4
111.08060	0.7
111.31084	0.5
117.06997	0.6
119.08575	3.6
120.08943	0.7
121.10167	1.8
121.11271	0.4
123.08031	0.5
127.03928	1.4
133.10133	1.5
134.10486	1.4
135.11723	1.1
136.12016	0.6
137.09644	0.5
145.04991	0.5
147.04390	1.3
147.08028	2.0
149.09616	0.7
165.09149	1.2
175.14842	1.9
176.15147	2.0
193.15939	1.6
194.16240	1.5
203.10480	0.7
205.04939	0.4
209.04515	0.7
211.16978	1.3
212.17360	1.3
229.12132	1.3
231.04984	0.8
247.13094	10.3
275.12576	6.0
284.15897	0.8
391.17194	3.7
408.80487	0.5
409.18347	17.2
451.19440	44.7
452.19791	1.9
495.18399	100.0
496.18710	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	495.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03654	0.6
53.03937	1.0
55.01629	0.5
55.01864	13.6
55.05505	2.9
57.03437	4.1
57.07086	0.9
61.02927	1.3
65.03933	3.4
67.05499	6.6
69.03426	9.0
69.07064	14.1
70.74191	0.8
70.74526	0.7
71.05000	4.0
73.02912	2.2
77.03920	0.8
79.05490	8.8
81.03418	1.8
81.07056	13.1
82.04168	1.1
83.04990	2.1
83.08619	1.3
85.02903	14.8
85.06543	7.5
86.03262	0.6
87.00822	1.3
91.05479	4.3
93.03413	1.1
93.06446	1.1
93.07040	19.6
94.07336	0.6
95.01318	2.4
95.04951	4.2
95.08608	15.2
96.08936	0.7
97.02892	3.6
97.06526	12.5
99.04455	6.5
101.06020	1.2
103.03947	1.0
105.01855	3.5
105.04527	0.7
105.07022	13.6
107.04975	1.8
107.08590	40.0
108.02115	1.6
108.08961	0.6
109.02821	2.9
109.06508	9.3
109.10155	2.4
110.03721	0.8
110.10470	0.9
111.04459	1.0
111.08076	5.0
113.02355	1.5
113.06019	4.3
115.07525	0.8
117.05476	1.0
117.07006	1.8
117.07778	0.8
119.08572	8.1
120.08906	1.9
121.06490	6.4
121.10139	15.3
122.10503	1.3
123.08067	9.1
125.06004	2.7
125.09620	1.1
127.03918	3.4
127.07570	1.8
128.04253	0.9
129.05521	1.0
131.03491	0.7
131.08548	1.9
133.06514	1.0
133.10150	2.8
134.10480	1.3
135.08054	3.6
135.11673	8.6
136.12039	1.2
137.02275	1.2
137.09593	1.7
138.03156	1.4
139.07532	1.0
139.11177	3.1
140.07071	2.5
141.01828	2.8
143.07030	1.5
145.04990	1.6
145.10129	10.0
147.11693	2.5
149.05984	0.9
149.09604	10.8
151.07532	10.2
152.00981	0.7
153.01816	2.3
153.05434	2.3
153.12697	0.9
157.04979	0.9
157.08598	2.8
163.11177	30.1
165.12766	2.0
167.03384	6.9
167.10681	13.9
168.06557	3.3
169.08595	100.0
170.08937	1.6
171.06520	1.7
173.09668	2.2
175.14873	3.5
176.15141	4.1
177.01924	1.0
181.04951	49.3
181.12224	14.2
182.05255	1.3
185.11740	5.2
191.03412	1.3
191.10658	12.3
193.15860	2.9
194.16182	4.3
195.02887	2.0
197.04424	0.8
205.04970	1.2
206.05748	0.8
209.11716	13.8
209.13737	0.8
219.02916	5.2
227.12767	91.6
228.13142	2.4
231.04771	0.6
233.04443	3.0
244.03674	2.7
245.04343	2.0
247.06012	0.8
249.06126	0.8
250.06433	0.7
250.30304	0.6
261.03873	2.2
262.04633	1.0
263.05591	1.7
265.14316	1.1
274.33224	0.6
283.15405	18.0
289.03479	1.8
290.04230	2.1
301.03445	2.0
301.16437	58.2
302.16733	1.3
318.03668	21.4
333.06024	60.1
334.06381	2.0
409.18127	1.0
442.21408	0.6
451.19235	2.3
459.18469	0.7
477.19507	2.3
495.18292	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	495.2358
Annotation	Scortechinone D
Peak:m/z	Relative Intensity
51.05880	0.7
52.06525	0.8
67.05499	1.3
69.07053	1.1
71.39200	0.9
76.69392	0.7
81.07010	1.5
91.05516	0.8
95.08533	0.8
104.32408	0.8
137.37695	0.8
172.21375	0.8
184.07324	0.9
274.08295	0.8
495.23245	100.0
496.23462	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2719
Annotation	Biperezone
Peak:m/z	Relative Intensity
50.27771	0.3
60.21367	0.3
70.74768	0.5
79.29386	0.3
79.67973	0.3
80.36646	0.3
92.05701	0.3
111.33822	0.3
136.99573	0.3
145.01971	0.3
324.29919	0.3
390.94415	0.3
456.72794	0.3
495.27145	100.0
496.27444	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	495.2721
Annotation	Biperezone
Peak:m/z	Relative Intensity
51.88369	0.5
60.77569	0.4
67.05497	0.7
71.11600	0.5
81.07021	0.7
89.06032	1.0
131.08585	0.6
137.06042	0.6
139.03922	0.9
139.07559	1.2
151.07535	1.1
152.01830	0.4
167.07063	1.9
175.03882	0.5
177.09105	0.9
179.07092	0.5
222.71362	0.5
300.42075	0.5
480.24460	0.8
495.27130	100.0
496.27475	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	495.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	0.2
59.51696	0.2
60.08167	0.9
60.54931	0.2
69.37486	0.4
69.37878	0.6
71.07365	0.3
71.36883	0.2
75.26416	0.2
76.73503	0.2
80.57224	0.2
86.09702	3.0
88.14243	0.2
104.10735	4.9
114.44434	0.2
125.00018	1.6
142.49753	0.2
153.05431	0.4
184.07333	5.9
214.98184	0.2
229.68088	0.2
272.76602	0.2
478.32892	0.5
495.27130	100.0
496.27460	4.1
496.34052	1.7
519.13123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2719
Annotation	Biperezone
Peak:m/z	Relative Intensity
55.05513	0.6
67.05499	1.5
69.07059	0.6
72.50043	0.3
79.05478	1.2
81.07052	1.0
83.08621	0.5
88.47483	0.4
93.07048	0.8
93.33223	0.3
95.08609	1.2
104.10730	0.6
107.08568	0.8
119.08533	0.4
149.05949	0.4
154.47763	0.3
177.14355	0.3
217.14288	1.1
237.14572	0.7
261.22174	0.5
473.18881	0.4
475.96988	0.4
495.27133	100.0
496.27576	4.7
496.34299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26112	0.7
60.08161	0.7
60.23256	0.8
64.47495	0.5
65.09548	0.6
67.05509	8.8
69.04563	1.0
69.07072	1.1
71.45794	0.6
77.03944	0.7
79.05493	6.2
81.07060	7.1
83.01112	1.5
83.08598	0.7
86.09698	2.9
91.05476	4.9
91.46508	0.6
93.07052	6.9
95.04962	1.3
95.08605	4.7
100.73819	0.7
102.10652	0.6
104.10745	5.4
105.04520	0.6
105.07036	2.1
107.08595	3.0
109.06507	0.7
109.10143	1.7
111.04362	1.3
112.05018	0.8
117.07004	0.9
119.08538	1.5
121.10130	5.2
123.04413	0.7
125.00039	1.2
125.05991	2.6
133.06506	0.8
133.10097	1.2
135.11708	2.4
137.06087	1.3
139.03906	2.0
141.06960	1.2
142.05907	0.8
147.08031	1.0
147.11693	1.1
147.36256	0.6
149.13315	1.2
153.05466	6.5
153.06596	0.8
153.07144	0.6
155.06807	2.0
156.07184	0.8
161.06000	1.0
163.07549	0.7
167.07025	0.8
169.06474	0.8
171.06297	0.9
172.06696	0.8
175.03839	0.8
175.07483	1.0
177.05397	1.1
179.06984	0.9
181.06586	0.8
184.05202	0.6
184.07335	5.6
187.03989	0.6
187.07507	1.4
189.05492	1.2
189.09050	1.0
191.07031	1.0
193.08415	0.6
197.06017	1.1
199.07523	1.9
201.05511	1.0
203.07048	1.1
207.74348	0.7
211.07588	2.0
213.05467	1.4
213.09010	0.7
214.06142	0.7
215.07036	1.2
217.08604	1.7
217.19672	0.7
219.10100	1.2
223.07588	1.1
225.09093	1.1
226.06230	1.2
227.07056	3.9
227.10477	0.8
228.04218	1.0
228.07880	1.4
229.04893	2.2
229.08543	1.1
230.05756	1.5
231.06410	1.2
235.07455	0.8
237.00768	0.7
237.09195	1.3
239.07008	1.7
239.10544	1.0
241.04935	1.3
241.08594	3.3
242.05814	1.9
243.06554	3.0
243.09912	0.7
244.07306	0.9
245.04449	1.9
245.08011	1.6
249.09116	1.5
251.06992	1.0
251.10660	1.1
253.08566	1.8
254.05658	0.8
254.09341	0.8
255.06503	5.4
255.10100	1.0
256.07245	3.0
257.04419	1.1
257.08026	3.6
258.05161	1.5
259.03333	0.9
259.05948	7.8
260.06750	3.1
265.08667	1.7
267.06519	1.6
267.09940	1.0
268.07217	0.9
269.08099	2.3
271.05997	2.1
271.09695	1.0
272.06754	2.4
273.07584	10.3
274.05112	1.1
274.08340	8.2
275.05624	0.9
275.08902	1.2
277.08646	1.5
279.06610	0.7
279.10141	1.3
281.07935	1.7
282.08820	0.8
283.09677	1.0
285.07599	2.1
287.09052	5.0
288.06345	0.9
289.07034	6.1
293.08264	0.8
293.11771	1.3
294.08795	1.1
295.09683	0.8
296.10498	0.8
297.07608	1.3
297.11142	1.3
299.09116	2.3
303.08731	1.3
307.09644	2.0
309.10928	1.1
313.10800	1.4
315.12265	0.8
320.10703	0.8
321.11188	2.3
322.11938	1.7
323.09158	1.5
337.10544	1.2
338.11411	1.9
339.12262	1.5
341.13718	0.9
353.13782	4.7
369.13202	1.8
383.19348	1.2
395.18427	0.7
417.24387	0.7
445.23566	1.0
446.24380	1.5
449.26553	2.0
459.24838	1.1
462.23868	0.9
464.25708	6.3
467.27789	3.6
477.26474	9.8
480.24716	1.1
494.31732	6.5
495.26666	55.3
495.31949	100.0
496.27054	3.2
496.33472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2746
Annotation	Pristimerine
Peak:m/z	Relative Intensity
59.26112	0.7
60.08161	0.7
60.23256	0.8
64.47495	0.5
65.09548	0.6
67.05509	8.8
69.04563	1.0
69.07072	1.1
71.45794	0.6
77.03944	0.7
79.05493	6.2
81.07060	7.1
83.01112	1.5
83.08598	0.7
86.09698	2.9
91.05476	4.9
91.46508	0.6
93.07052	6.9
95.04962	1.3
95.08605	4.7
100.73819	0.7
102.10652	0.6
104.10745	5.4
105.04520	0.6
105.07036	2.1
107.08595	3.0
109.06507	0.7
109.10143	1.7
111.04362	1.3
112.05018	0.8
117.07004	0.9
119.08538	1.5
121.10130	5.2
123.04413	0.7
125.00039	1.2
125.05991	2.6
133.06506	0.8
133.10097	1.2
135.11708	2.4
137.06087	1.3
139.03906	2.0
141.06960	1.2
142.05907	0.8
147.08031	1.0
147.11693	1.1
147.36256	0.6
149.13315	1.2
153.05466	6.5
153.06596	0.8
153.07144	0.6
155.06807	2.0
156.07184	0.8
161.06000	1.0
163.07549	0.7
167.07025	0.8
169.06474	0.8
171.06297	0.9
172.06696	0.8
175.03839	0.8
175.07483	1.0
177.05397	1.1
179.06984	0.9
181.06586	0.8
184.05202	0.6
184.07335	5.6
187.03989	0.6
187.07507	1.4
189.05492	1.2
189.09050	1.0
191.07031	1.0
193.08415	0.6
197.06017	1.1
199.07523	1.9
201.05511	1.0
203.07048	1.1
207.74348	0.7
211.07588	2.0
213.05467	1.4
213.09010	0.7
214.06142	0.7
215.07036	1.2
217.08604	1.7
217.19672	0.7
219.10100	1.2
223.07588	1.1
225.09093	1.1
226.06230	1.2
227.07056	3.9
227.10477	0.8
228.04218	1.0
228.07880	1.4
229.04893	2.2
229.08543	1.1
230.05756	1.5
231.06410	1.2
235.07455	0.8
237.00768	0.7
237.09195	1.3
239.07008	1.7
239.10544	1.0
241.04935	1.3
241.08594	3.3
242.05814	1.9
243.06554	3.0
243.09912	0.7
244.07306	0.9
245.04449	1.9
245.08011	1.6
249.09116	1.5
251.06992	1.0
251.10660	1.1
253.08566	1.8
254.05658	0.8
254.09341	0.8
255.06503	5.4
255.10100	1.0
256.07245	3.0
257.04419	1.1
257.08026	3.6
258.05161	1.5
259.03333	0.9
259.05948	7.8
260.06750	3.1
265.08667	1.7
267.06519	1.6
267.09940	1.0
268.07217	0.9
269.08099	2.3
271.05997	2.1
271.09695	1.0
272.06754	2.4
273.07584	10.3
274.05112	1.1
274.08340	8.2
275.05624	0.9
275.08902	1.2
277.08646	1.5
279.06610	0.7
279.10141	1.3
281.07935	1.7
282.08820	0.8
283.09677	1.0
285.07599	2.1
287.09052	5.0
288.06345	0.9
289.07034	6.1
293.08264	0.8
293.11771	1.3
294.08795	1.1
295.09683	0.8
296.10498	0.8
297.07608	1.3
297.11142	1.3
299.09116	2.3
303.08731	1.3
307.09644	2.0
309.10928	1.1
313.10800	1.4
315.12265	0.8
320.10703	0.8
321.11188	2.3
322.11938	1.7
323.09158	1.5
337.10544	1.2
338.11411	1.9
339.12262	1.5
341.13718	0.9
353.13782	4.7
369.13202	1.8
383.19348	1.2
395.18427	0.7
417.24387	0.7
445.23566	1.0
446.24380	1.5
449.26553	2.0
459.24838	1.1
462.23868	0.9
464.25708	6.3
467.27789	3.6
477.26474	9.8
480.24716	1.1
494.31732	6.5
495.26666	55.3
495.31949	100.0
496.27054	3.2
496.33472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2745
Annotation	Biperezone
Peak:m/z	Relative Intensity
51.29727	0.6
55.01873	2.8
55.05516	4.4
65.03944	6.3
67.05161	1.1
67.05505	19.4
68.99775	2.8
69.03421	1.3
69.07069	1.4
69.25494	2.4
69.25904	1.4
71.04989	1.4
77.03930	1.8
78.91908	0.5
79.05489	21.7
81.03410	0.7
81.07055	16.5
82.04192	1.3
83.04966	1.1
85.02885	0.9
85.08309	0.6
91.05475	18.9
93.03403	0.7
93.07043	20.1
95.04970	12.2
95.08602	15.8
97.06526	3.5
103.05495	3.7
105.04523	1.8
105.07024	11.9
107.04930	5.2
107.08585	13.1
108.02098	9.4
108.05721	0.7
109.06480	4.2
109.10143	5.0
110.03658	2.2
111.04444	5.6
115.05451	4.4
116.06255	0.7
117.07018	5.6
118.04121	1.6
119.04905	1.1
119.08591	7.2
121.03992	2.3
121.06494	4.4
121.10139	10.0
123.04420	9.3
123.08056	0.8
124.05207	1.0
125.05986	62.4
126.03078	0.7
128.06189	1.0
129.07011	3.3
131.04938	2.3
131.08553	4.8
133.05531	1.0
133.06490	12.2
133.10123	2.7
135.08061	2.2
135.11687	4.3
137.05971	34.9
137.46535	0.6
139.03928	5.3
139.07552	2.3
141.05460	34.8
141.07088	1.4
142.05753	0.7
143.04893	1.0
143.08533	1.3
144.05708	1.9
145.06456	4.0
145.10130	2.2
146.07265	0.6
147.04396	2.7
147.08051	7.8
147.11688	1.8
148.05211	0.8
149.06007	3.2
149.09592	1.6
149.13246	1.4
151.03900	100.0
151.07513	10.4
152.04460	0.8
152.06171	0.7
153.05463	78.5
154.05797	1.7
155.08585	2.1
157.06476	1.2
157.10085	0.7
158.07259	0.8
159.04454	0.7
159.08044	2.6
159.11710	0.9
160.05186	3.6
161.05975	16.2
161.09607	1.5
161.13243	1.1
162.06654	1.8
163.03902	0.8
163.07532	20.2
163.14696	1.2
164.64229	0.6
165.05469	3.1
165.06888	1.2
167.07045	8.3
167.08505	1.3
169.10114	0.9
170.07288	0.7
171.08044	1.2
171.11720	0.7
172.05133	0.6
173.06012	2.7
173.09628	1.2
173.13251	0.8
174.06738	2.9
175.07539	15.4
175.14816	1.8
176.04637	0.9
176.08162	0.9
177.05475	12.8
177.09105	10.3
178.06215	0.8
179.07024	27.0
179.10529	0.8
180.07405	0.6
181.06493	1.1
181.10052	1.0
183.08047	1.2
184.08850	1.2
185.06210	0.5
185.09590	1.7
185.13228	0.8
186.06779	1.2
187.07524	10.7
187.11163	0.9
187.14775	1.2
188.08270	0.9
189.05397	0.8
189.09100	7.3
189.16399	1.7
190.06206	0.8
191.07031	20.2
191.10649	9.3
191.54112	0.6
193.08594	27.2
195.08035	1.5
196.08832	1.2
197.09740	1.2
198.06830	0.8
199.07539	2.0
200.08328	0.9
201.09128	7.6
201.10861	1.0
203.07005	13.4
203.10657	9.7
205.08615	4.9
205.12253	2.0
207.10100	4.6
211.07608	2.3
212.08328	1.9
213.09120	9.1
214.09850	1.1
215.10669	12.4
216.21019	0.6
217.08591	1.7
217.12201	5.1
219.10220	4.4
221.11702	0.8
223.11261	0.7
225.09085	2.2
226.09821	1.4
227.10643	16.3
229.08472	1.2
229.12219	5.9
231.10178	1.1
231.13840	1.2
233.11719	5.4
239.10683	1.4
241.12180	7.6
243.09912	0.6
243.13818	2.4
245.11694	1.3
247.13327	2.2
253.12169	1.7
255.13792	4.2
267.13791	1.2
269.15350	1.7
273.14883	0.8
287.16592	0.6
305.17575	1.8
311.20029	0.8
323.19919	0.6
327.19360	0.7
329.20923	4.5
445.23685	1.3
459.25186	1.3
463.24704	2.4
477.26312	25.4
478.26437	1.0
495.26883	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	495.3108
Annotation	Kleinioxanthrone 3
Peak:m/z	Relative Intensity
51.36766	1.0
53.03952	1.1
55.05504	3.4
65.03941	1.3
67.05500	9.3
67.98161	1.0
69.07053	1.9
69.53731	5.4
79.05505	10.1
81.07058	11.8
83.01332	8.6
91.05477	8.8
93.07055	6.0
95.04952	3.3
95.08590	7.1
105.07033	2.6
107.04958	3.2
107.08583	3.3
109.06517	5.2
109.10144	2.4
111.08086	2.6
117.07014	4.5
119.08549	2.4
121.06515	9.6
121.10119	3.8
123.04424	2.1
123.08110	3.3
124.05222	7.4
125.05984	4.7
129.07021	2.4
131.08574	4.5
133.10167	1.6
135.08073	6.1
135.11679	1.3
137.05975	74.4
139.07538	74.5
140.07866	1.3
143.08548	1.5
145.06445	3.8
145.10126	1.4
147.08044	3.1
149.06042	1.2
149.09587	8.3
151.07535	24.5
152.07828	1.4
153.05484	5.6
159.08037	3.4
160.05232	2.0
161.06012	5.5
161.09616	3.0
162.06752	4.5
163.07544	40.3
163.08890	2.5
163.11197	1.6
165.09169	1.6
167.07034	100.0
168.07384	1.5
173.09540	1.6
174.06824	2.8
175.07550	17.7
175.11200	1.7
176.08263	3.3
177.09103	92.2
178.09389	1.6
181.08572	1.5
187.07558	3.4
189.09100	10.8
191.10663	46.3
193.08589	6.5
201.09030	2.5
203.10658	23.3
205.12221	7.2
207.10211	7.4
215.10675	2.5
217.12215	25.9
229.12263	1.5
231.13811	8.5
263.62482	1.2
293.55499	1.1
339.11572	1.3
436.28912	1.4
463.28323	4.9
465.69244	1.2
495.31058	33.9
496.31284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3319
Annotation	Makisterone B
Peak:m/z	Relative Intensity
53.60226	2.3
55.05517	7.1
57.07078	3.4
58.92087	2.6
67.05508	14.6
69.07074	12.3
79.05492	8.9
81.07056	33.9
83.08642	3.0
85.02885	2.6
85.06553	8.4
91.05475	4.4
93.07031	16.5
95.08601	18.0
98.97584	3.4
99.00815	6.8
99.04478	3.7
105.07031	5.8
107.08591	9.6
109.10152	11.8
117.01857	2.7
121.10142	4.4
123.11729	4.8
135.11670	3.3
137.05946	3.2
145.10158	2.9
149.13240	2.6
151.07544	29.3
153.05478	3.0
163.07512	3.5
171.07974	2.5
177.05530	6.8
181.04933	15.4
182.55096	2.3
183.06589	5.0
189.09151	11.9
195.06497	30.6
203.10677	4.7
209.08105	15.9
223.09656	20.8
229.12036	4.6
235.09641	3.9
237.11118	21.0
245.06306	3.1
249.11172	12.4
251.12927	3.2
263.12784	4.0
271.04254	3.5
289.05331	21.5
291.15860	4.7
293.17413	2.6
305.17438	3.9
307.19122	4.4
317.17447	2.6
429.29813	3.0
441.30035	9.0
451.19409	19.8
459.31064	33.2
477.32086	100.0
478.32684	4.1
482.13565	2.8
495.18430	94.6
495.26089	3.1
495.33130	72.9
496.18845	8.6
496.33975	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25129	0.6
55.01871	1.2
55.05501	1.5
57.03432	2.8
57.07072	0.8
59.04983	0.6
65.03932	2.5
66.02042	0.7
67.05510	1.3
69.03430	7.0
69.07070	2.0
70.36149	1.2
70.36478	0.6
71.04988	0.9
71.93923	0.7
73.02912	2.3
79.05471	1.5
81.03405	1.4
81.06625	0.6
81.07018	3.1
83.04970	0.9
83.08622	1.5
85.02902	19.2
85.06535	0.8
87.04454	3.6
91.05484	1.7
93.07056	3.1
95.04946	2.6
95.08594	1.9
97.02889	9.3
97.06525	1.3
99.04433	0.7
99.08034	0.7
103.03941	5.4
105.07048	1.6
107.08570	4.0
109.02888	1.5
109.10158	1.6
111.04442	2.5
111.08088	0.8
115.03922	9.2
117.07047	0.8
121.02863	100.0
121.10126	3.2
122.03152	1.0
123.04435	1.5
123.11698	1.4
127.03918	2.2
133.04980	7.3
133.10127	0.7
133.56194	0.6
135.11664	0.9
137.02336	1.9
137.06006	1.8
139.03908	8.3
139.11176	2.2
141.05510	0.8
145.04955	2.7
147.08157	0.7
149.13246	5.7
151.03893	6.6
151.07535	1.6
153.12762	1.5
159.07983	0.8
161.05966	10.6
163.03893	1.2
163.06125	0.8
163.07481	1.5
167.10692	3.3
167.14319	5.1
171.08086	1.9
173.09616	0.9
173.13268	0.9
174.06828	0.6
175.07504	3.1
177.09065	0.8
179.03384	0.7
179.07126	1.6
180.08780	10.1
181.04947	10.4
185.11671	1.9
190.48766	0.6
191.03387	1.2
193.08609	1.0
195.02879	1.0
199.07545	4.5
203.07031	8.4
205.04948	0.8
206.96091	0.7
213.09155	1.9
217.08614	1.5
219.06567	0.9
221.08112	5.6
223.05971	8.7
227.07083	3.6
233.04382	1.5
233.08055	0.9
241.08694	1.3
245.08139	2.8
251.05470	1.1
253.07164	0.6
259.09808	1.6
263.05511	1.9
263.09100	1.8
265.06927	0.8
268.65744	0.7
269.08102	1.5
281.17426	1.4
283.08118	4.8
287.09116	24.8
287.12305	1.2
295.10211	1.5
299.18448	0.9
305.10199	3.0
311.07443	1.0
351.18652	0.6
383.82275	0.7
406.59225	0.7
458.53796	0.7
479.11630	0.9
497.20352	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	496.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97330	0.5
52.83242	0.5
53.03944	0.9
56.39958	0.5
57.03418	0.9
65.03944	2.7
67.81541	0.6
69.03419	2.2
69.21821	2.0
69.22230	1.6
70.28415	0.5
72.12547	0.6
73.02920	1.1
81.03405	2.5
81.07030	0.9
85.02902	4.4
93.03396	0.8
97.02880	2.4
98.97578	2.5
103.03944	5.1
109.02879	1.9
116.98624	0.7
121.02866	100.0
122.03197	1.6
127.03953	1.1
137.05978	21.7
137.07019	1.3
139.03899	27.4
139.07521	0.6
145.04921	1.1
151.07544	10.2
161.05974	8.9
166.05563	0.6
175.07579	1.6
179.07028	23.1
180.07474	0.6
180.09273	0.9
181.04977	4.4
182.12579	0.6
187.07617	0.6
189.09122	0.8
195.11757	1.3
197.08089	12.2
199.07620	0.6
203.07001	6.9
213.09148	0.5
217.08565	1.0
221.08092	8.6
223.05994	1.8
227.07164	1.3
234.94542	0.6
245.08102	2.6
263.09171	4.8
265.07028	3.8
269.08087	1.0
283.08215	3.0
287.09152	7.3
305.10211	2.2
316.08939	0.5
317.09305	1.0
437.18576	1.3
496.16223	4.6
497.14236	0.8
497.20691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03433	1.5
67.05485	0.8
69.03432	1.1
69.07060	0.9
69.79922	1.7
69.80288	1.6
70.06599	7.8
71.05003	1.2
73.02891	0.8
79.05510	0.9
79.27342	0.8
81.07050	2.6
85.02898	3.7
86.06050	0.9
91.05469	1.3
93.07050	1.5
95.08604	1.1
97.02892	1.5
102.86008	0.7
105.07067	1.1
107.08530	0.8
109.10122	1.1
110.72005	0.7
114.05524	1.3
121.10180	1.5
121.34985	0.8
123.04434	3.5
123.11707	1.4
127.03946	1.0
129.07008	4.3
131.04956	1.0
131.08588	4.5
133.10101	1.7
135.11681	1.1
137.02351	0.9
137.05956	1.1
141.06975	4.0
141.34790	0.9
151.03931	6.7
151.79460	0.8
152.14354	1.6
153.01859	0.9
157.06490	3.5
158.07198	1.4
159.08035	5.4
163.07521	1.2
169.06445	2.0
169.09706	3.2
170.07150	0.9
174.06746	7.8
175.07553	3.4
181.04968	1.8
186.06734	1.8
189.09099	23.0
191.10674	2.4
192.17413	1.6
201.09109	7.3
209.04440	2.3
217.88708	0.8
219.10153	100.0
220.10487	2.2
237.11218	3.9
248.12862	2.3
266.11383	1.0
333.06000	1.4
334.06512	4.4
335.06540	1.0
351.20313	2.5
413.47266	0.9
452.18802	1.8
452.23907	2.5
453.20828	2.4
478.25848	1.2
496.18536	7.6
496.26511	5.3
497.19910	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	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97611	0.8
53.03934	1.0
55.01852	1.0
55.05517	1.0
57.03431	2.3
61.02945	3.7
67.05508	3.1
69.03433	8.8
69.07058	1.5
71.04987	1.4
71.43437	0.8
73.02930	1.6
76.70395	0.6
79.05508	4.7
81.03419	3.1
81.07059	91.3
85.02904	50.9
86.03256	0.7
91.03993	2.4
91.05463	1.2
93.07038	0.9
95.08621	8.8
97.02891	12.5
98.97581	1.0
99.04433	1.7
100.11257	1.5
103.03952	1.0
107.08607	1.1
109.02885	4.8
111.04423	1.0
113.69971	0.7
121.10164	0.8
127.03913	14.2
137.13255	100.0
138.13593	1.4
139.03847	1.0
145.04958	25.2
147.04396	2.4
148.04703	1.4
151.07565	1.5
155.00792	0.7
163.06035	12.9
165.05348	0.8
167.03392	12.3
181.04945	0.9
193.05005	1.3
317.19681	3.5
325.11343	4.5
340.25287	0.7
344.34967	0.9
387.03409	0.9
443.23987	1.0
496.18338	2.1
497.18558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81568	0.6
53.03934	1.9
55.01867	1.4
55.05504	0.8
57.03430	2.1
57.07069	3.8
58.64360	0.7
61.02928	6.7
65.03946	0.7
67.05499	5.7
69.03427	11.0
69.07064	3.8
69.90139	0.8
69.90472	1.4
71.04991	1.6
72.49552	0.7
73.02918	2.6
79.05495	9.8
81.03419	4.7
81.07056	100.0
85.02902	74.2
87.04469	2.1
91.03960	5.2
93.07052	1.6
93.46223	0.7
95.08605	24.2
97.02887	18.0
98.97605	0.9
99.04457	3.0
103.03968	1.0
107.08602	0.9
109.02890	6.4
109.10166	2.0
115.03931	0.9
125.89883	0.6
127.03909	22.0
127.94774	0.6
137.13255	29.2
137.63763	0.7
143.90976	0.7
145.04955	45.0
155.08556	1.6
163.06017	21.0
177.05475	0.6
183.11780	0.9
183.94556	0.6
188.12367	0.7
195.11720	2.1
210.69933	0.7
213.12737	9.5
238.33182	0.7
256.23062	0.6
261.67020	0.7
284.14767	0.7
289.09232	1.1
299.53494	0.7
325.11392	4.5
372.91742	0.7
452.19589	2.2
496.18564	7.7
496.24811	0.8
497.19247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45350	0.7
55.05509	1.6
55.22680	0.7
57.03436	4.7
57.07070	6.9
59.04994	1.0
61.02923	1.0
62.25316	0.8
66.49589	0.8
67.05509	1.0
68.17553	0.7
69.03430	16.7
69.07072	9.6
69.20113	0.6
69.54626	1.6
69.55020	1.5
71.01340	0.7
73.36386	0.8
77.03905	1.4
79.05488	2.9
80.47223	0.6
81.07046	3.1
81.25120	0.7
83.08636	1.1
85.02406	1.1
85.02902	14.2
87.04472	11.1
91.05463	4.9
93.07043	19.5
95.04956	2.0
95.08607	2.8
97.02892	16.2
99.04450	0.9
104.67722	0.7
105.07008	2.2
107.08589	30.3
109.02867	1.1
109.10159	2.9
111.04476	1.3
112.24670	0.7
115.03931	21.2
119.08568	1.1
121.10143	22.0
123.08111	1.0
123.11703	10.2
127.03922	2.8
129.05444	0.8
133.04964	19.4
133.10098	1.2
135.11664	1.1
139.03838	1.1
145.04976	2.7
149.13252	100.0
150.13638	1.4
151.03870	1.2
153.12738	2.0
159.11719	0.8
163.05995	1.0
167.10690	1.6
167.14305	12.8
169.04938	0.8
185.00060	0.9
185.15424	0.9
191.14288	1.5
201.09486	0.8
232.18706	0.8
243.12338	0.9
259.08115	2.0
259.49823	0.8
277.09134	1.4
281.17422	1.8
283.53592	0.7
295.10187	2.6
299.18536	2.6
310.17764	0.7
311.38715	0.7
354.70227	0.7
356.73721	0.7
452.15793	0.8
496.14410	1.3
497.15884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01872	1.9
55.05499	2.4
57.03437	6.0
61.02924	2.5
65.03925	2.5
65.48827	1.1
67.05505	6.6
67.35002	1.2
69.03424	4.9
69.07058	2.0
71.04990	37.5
73.02900	3.5
75.04475	3.3
79.05473	3.4
80.05767	1.1
81.03430	3.0
81.07061	4.6
83.04971	11.3
85.02906	74.9
86.03201	1.6
91.05480	4.4
93.07043	29.9
94.31651	1.3
95.04979	3.5
95.08613	9.4
97.02881	7.9
97.06529	1.7
98.03230	1.2
99.04455	2.2
100.25852	1.1
103.04005	1.3
105.07011	2.9
107.04944	2.4
107.08593	11.8
108.02097	2.8
109.09415	2.8
109.10151	45.1
109.10896	2.4
111.04450	9.3
115.03976	1.7
121.10166	10.5
123.11719	1.9
125.05993	2.4
127.03931	6.9
129.05464	24.6
133.04971	1.6
135.11691	43.3
137.02351	1.6
137.05934	1.5
139.03949	1.5
139.11136	2.4
141.05450	2.6
145.04948	5.5
147.06526	4.4
149.09578	2.2
149.13226	1.5
151.03908	100.0
151.04962	6.4
153.12740	21.4
163.05989	4.1
163.07458	2.5
164.09172	1.9
167.10674	10.5
169.04951	1.9
169.12137	1.6
177.01930	1.5
177.05472	1.6
181.04964	5.5
191.03278	1.4
194.02061	1.5
195.02919	4.9
195.10214	7.7
209.04430	18.4
212.45885	1.2
233.04364	1.8
234.46278	1.2
245.88593	1.3
247.06148	1.6
253.07132	3.2
255.08492	2.1
263.16486	1.3
273.09732	3.9
275.05533	2.2
281.14310	1.5
281.17288	6.6
294.43890	1.2
297.17004	6.8
309.11664	7.5
333.05975	5.6
334.06351	10.8
378.32062	1.1
410.51669	1.2
419.16769	1.2
422.54968	1.4
443.22415	2.2
446.19711	1.3
496.30173	3.4
497.10468	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59240	1.8
55.01854	2.1
55.05506	6.1
57.03437	10.2
57.07077	9.1
59.04979	2.5
60.09484	1.5
67.05493	2.1
69.03435	21.2
69.07068	13.7
71.04996	28.8
73.02914	2.9
75.04458	2.5
79.05495	4.4
81.03423	3.8
81.07065	10.5
83.04971	5.3
83.08591	1.7
85.02407	3.4
85.02907	58.0
87.04475	15.6
91.05481	7.3
93.07054	28.2
95.04961	4.3
95.08620	5.2
97.02898	23.1
97.06522	4.2
99.01256	1.7
105.07040	4.9
107.08598	37.7
109.02842	2.1
109.06510	2.1
109.10159	7.6
111.04409	4.2
111.08038	2.2
115.03928	23.5
119.08595	4.2
121.02885	10.1
121.06470	1.9
121.10134	23.6
123.08076	2.6
123.11694	11.6
127.03926	5.9
129.05490	12.2
133.04961	22.1
133.10060	1.8
135.08023	2.6
135.11726	8.0
137.05959	5.1
139.03894	4.8
145.04964	5.8
147.04474	2.9
147.06522	10.1
147.11696	2.5
149.13258	100.0
149.93231	1.7
150.13637	2.4
151.03900	12.4
151.07426	1.9
153.12740	24.1
165.12837	1.9
167.03345	1.9
167.10680	3.3
167.14342	14.0
177.05499	2.2
177.09117	1.9
189.09247	2.3
241.06929	2.1
259.08182	2.6
263.16449	1.8
281.17459	2.2
295.10284	2.5
299.18527	6.0
308.72830	1.7
314.20560	1.7
315.17947	2.7
331.53885	1.6
333.19028	2.0
463.92474	1.6
496.14551	5.7
497.19623	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	496.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.05509	6.0
57.03432	6.9
57.07065	3.4
61.02914	3.9
67.05499	12.3
69.03432	7.5
69.07066	8.8
71.04995	26.2
73.02954	2.4
73.06548	2.6
79.05492	14.7
81.03419	87.9
81.07061	23.4
83.05018	7.9
83.08627	23.1
85.02911	29.3
85.06542	5.0
86.06064	2.2
87.00809	2.7
91.05487	14.9
93.07040	19.2
95.04971	28.2
95.08614	10.9
96.04488	1.7
97.02885	6.2
97.06518	2.9
99.04489	3.1
105.07011	8.3
107.04952	7.1
107.08592	18.9
108.08096	3.9
109.02865	4.8
109.06521	2.9
109.10171	15.4
110.09634	1.8
110.39794	1.5
111.04446	3.3
111.08101	11.5
114.05529	2.8
119.07851	1.4
119.08569	9.4
120.31434	1.6
121.06514	2.5
121.10133	9.5
122.06021	2.2
123.04354	2.3
123.11717	2.6
125.09599	1.9
127.03908	4.0
129.05479	9.3
129.07007	5.9
131.08554	5.4
133.06479	2.0
133.10120	4.8
135.11694	21.4
137.05907	2.1
137.09641	4.7
138.05524	2.5
140.07065	1.9
142.07762	1.7
145.04913	3.2
145.10080	2.1
147.06526	9.0
147.08052	3.5
147.11682	8.9
148.34070	1.9
149.09653	4.3
149.13235	2.1
150.12772	6.3
151.03923	4.2
152.04204	1.8
152.14317	4.6
153.12749	73.3
157.10144	10.6
159.02954	1.9
165.09094	1.9
165.12859	1.7
166.04982	2.6
167.03394	2.3
169.04938	2.1
172.09000	1.8
175.11197	9.9
177.16380	6.7
181.04866	1.6
185.11792	2.3
187.07431	1.7
192.13826	5.0
193.12245	62.4
194.12508	2.5
195.13733	2.0
195.17429	11.5
201.48322	1.7
206.15381	3.0
211.13231	6.3
213.14822	4.8
213.18498	25.0
261.19662	4.8
267.15921	34.6
285.16974	100.0
286.17227	3.6
293.18430	1.8
299.18451	2.2
309.17099	5.1
318.12851	2.5
380.21622	3.1
386.92023	2.1
398.45313	2.1
410.18567	4.5
411.19809	4.3
424.24231	2.8
434.22571	2.8
452.18570	3.8
452.24597	21.7
453.20618	11.2
496.18552	22.9
496.26566	20.5
497.19974	30.7
504.41028	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62010	1.3
54.36004	1.3
55.01841	1.6
55.05495	3.2
57.03439	11.4
57.07046	2.0
61.02906	2.1
66.65253	1.3
67.05511	3.5
69.03432	10.1
69.07054	2.7
71.04990	64.5
73.02913	4.1
74.78859	1.3
75.04473	5.1
79.05477	3.6
80.67041	1.4
81.03425	1.8
81.07043	4.7
83.04979	11.3
83.08604	1.3
85.02903	100.0
86.03251	1.4
87.04453	5.3
91.03942	1.6
91.05473	5.5
93.07047	32.9
95.04990	2.4
95.08591	4.2
97.02897	7.8
101.06001	1.9
105.07014	3.2
107.04993	1.6
107.08598	21.7
109.02838	1.6
109.06474	1.4
109.10146	26.9
111.04449	8.2
115.03925	7.4
119.08589	1.9
121.10137	14.6
123.11710	3.4
125.06028	1.4
127.03913	5.7
129.05472	41.7
133.04942	4.8
135.11690	44.4
137.02289	3.9
137.05960	2.6
139.03889	1.6
145.04959	4.9
147.06500	24.8
149.09589	2.3
149.13264	11.3
151.03883	1.6
153.12744	21.2
161.05989	2.7
163.06012	2.4
164.09177	4.6
167.10666	7.6
167.14281	1.9
177.12743	4.2
185.11655	2.3
229.96371	1.7
255.08595	3.8
263.16284	3.5
273.09598	3.2
281.17499	8.1
297.16910	5.7
309.11795	8.2
345.13019	1.7
410.61816	1.5
496.24423	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	496.3396
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05519	0.4
56.05040	1.3
56.33489	0.2
57.03430	0.5
57.07075	3.7
58.06577	1.5
60.08165	16.7
67.05502	0.8
69.07066	0.6
69.28317	0.2
70.82644	0.2
71.07376	6.1
71.08636	2.0
81.07054	0.8
83.08621	0.7
85.10179	1.1
86.09707	47.7
87.04469	0.6
87.10027	0.5
89.06030	0.4
95.08633	1.0
98.98467	3.8
102.20819	0.2
104.10744	100.0
105.11080	0.9
109.10144	0.4
111.37971	0.2
121.06493	0.3
125.00004	26.7
130.49535	0.3
161.30449	0.2
163.01569	0.7
169.14835	0.2
184.07341	98.9
185.07706	0.9
199.03714	0.2
207.99838	0.2
258.11105	0.8
268.92056	0.2
275.40265	0.2
306.96188	0.2
313.27444	1.8
419.25629	0.4
478.32925	9.1
496.33984	35.5
497.34335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.4
57.07058	0.9
59.13950	0.3
60.08164	5.3
67.05462	0.3
69.46428	1.3
69.46829	0.7
70.67402	0.4
71.07375	2.2
71.08627	0.7
72.72074	0.4
74.03332	0.4
76.09558	0.4
86.09706	25.7
98.22885	1.0
98.23476	0.8
98.98447	2.7
103.82350	0.4
104.10721	2.4
114.84985	0.4
125.00009	19.0
184.07343	100.0
185.07707	0.7
303.17151	0.4
446.20819	0.4
478.32843	1.1
496.34094	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	497.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03090	0.7
52.03137	0.6
53.03948	0.9
55.01857	0.7
55.05509	1.4
57.03435	1.1
57.06047	0.7
65.03939	1.3
67.05503	3.2
67.98019	0.6
69.03424	2.7
69.07060	1.5
70.73951	0.6
71.04990	3.6
71.44362	0.6
72.08141	0.9
72.97301	0.6
73.02927	0.6
79.05463	0.8
79.78732	0.6
81.03408	1.1
81.07059	1.9
83.04975	2.2
85.02908	11.4
86.03259	0.8
87.04485	0.7
89.03917	0.6
91.05470	0.9
93.07048	3.7
94.07368	0.9
95.04990	1.7
95.08611	2.4
97.02883	2.1
99.04479	1.1
100.11300	1.1
103.03969	0.7
107.08588	2.1
108.02096	2.3
109.02930	1.2
109.10149	4.4
110.10503	0.8
111.04452	1.5
115.03933	1.1
117.03396	0.8
121.10184	0.9
125.05984	0.8
125.13242	0.9
127.03895	1.3
129.05507	2.1
135.11659	4.8
136.12012	1.8
137.02328	1.2
138.03214	0.7
141.05490	1.9
145.02863	3.6
145.04907	1.2
145.58606	0.6
150.03081	1.3
151.03912	100.0
151.05008	8.8
151.14806	1.3
152.04271	2.4
153.05478	1.6
153.12752	2.3
154.13057	1.2
168.11076	0.7
169.04953	1.0
169.09836	1.7
169.15887	2.7
177.05435	3.8
181.04950	8.6
194.02142	1.3
195.02850	3.4
205.04861	0.9
209.04475	14.7
210.04814	1.3
215.03308	0.7
215.81036	0.7
233.11772	0.9
234.11278	1.7
249.07529	0.9
250.52629	0.6
251.05428	1.4
253.07117	1.8
275.05493	2.4
293.06653	1.1
318.69498	0.6
322.21384	1.3
335.06528	1.5
342.76669	0.8
385.19534	0.6
437.20605	1.1
453.34341	2.2
497.10748	5.5
498.26022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48512	3.3
55.05513	4.3
56.96567	16.3
59.41978	2.7
65.03938	3.2
66.23287	2.5
66.53600	2.7
70.58806	5.5
76.24036	3.1
77.68083	2.6
79.05500	5.3
81.03424	3.4
81.07065	14.9
84.96047	6.4
85.02916	9.9
91.05517	4.3
95.08620	5.8
97.47520	2.8
98.97587	49.4
98.98170	4.5
100.11261	4.4
105.07067	3.3
110.97591	12.5
116.98632	21.6
119.08616	3.1
121.02864	23.1
122.03212	7.4
122.28650	2.7
123.04457	3.8
127.03961	5.6
128.98628	12.8
133.08679	2.9
134.99710	6.6
137.05988	20.9
139.03871	17.0
139.07552	4.5
143.00192	4.9
145.02846	3.8
146.99698	4.1
149.06111	3.2
151.07594	19.9
158.99643	6.8
163.07617	3.5
167.07097	11.8
170.99629	4.0
177.00751	10.0
177.05475	6.4
177.09140	3.1
179.07082	5.4
191.10674	3.8
193.04968	8.1
197.08060	3.6
219.01778	24.6
237.02808	23.6
249.14827	3.2
288.09576	3.8
293.14276	4.9
331.09952	4.5
338.96558	3.3
351.11169	5.5
397.80685	2.7
411.13293	34.8
411.19162	6.2
429.14291	29.1
433.16245	3.8
437.18488	22.7
452.15463	3.0
453.15268	5.9
453.21030	20.5
461.25266	10.8
496.88760	4.4
497.14066	100.0
497.20166	64.3
497.27112	20.1
498.14444	3.5
500.92117	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	497.1425
Annotation	CHEBI:67641
Peak:m/z	Relative Intensity
56.96579	2.0
64.55462	0.9
67.05489	2.2
69.03419	4.6
69.29004	3.6
69.29408	2.6
70.88064	1.1
71.05008	1.5
76.03119	1.0
79.05467	2.0
81.03416	1.8
81.07051	10.9
83.04974	1.1
85.02905	13.5
86.03199	1.0
87.04446	1.3
91.05474	2.0
93.07050	2.7
95.08621	2.5
97.02885	3.2
98.97582	10.3
100.11237	1.9
105.07018	2.3
109.10136	1.2
109.98458	1.1
110.97571	2.8
116.98598	3.6
119.08607	2.2
119.98669	1.1
123.11806	1.1
127.03926	3.7
128.98604	1.8
137.05951	2.2
137.13242	4.2
138.13609	1.7
139.07542	2.4
145.02852	1.4
145.04977	6.7
145.10129	1.9
147.04500	1.1
147.11684	1.3
151.07536	12.2
157.10043	1.4
163.06013	4.0
167.07063	2.0
177.05490	1.8
177.09123	2.4
191.10651	2.7
201.16467	2.3
203.17969	1.4
205.12268	1.3
219.01805	5.1
237.02887	7.2
249.07506	1.6
249.14926	1.7
265.07269	1.2
317.10251	1.7
317.14108	2.6
338.47174	1.4
361.44946	1.2
411.13229	8.8
425.23312	2.7
429.14294	4.2
437.18631	2.4
443.24368	5.5
453.15134	10.7
461.25354	2.9
497.14087	100.0
497.26337	3.0
498.14389	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	497.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
61.31293	0.3
63.64188	0.3
67.05507	0.9
69.03426	0.7
71.04979	0.4
71.42663	0.4
73.50646	0.3
79.05500	0.4
81.07050	1.3
83.04985	4.1
83.08602	1.6
93.07059	0.7
95.04950	0.4
95.08602	0.8
107.08603	1.5
109.10145	1.5
119.08617	0.4
121.10155	0.8
123.11708	1.1
125.09642	1.0
133.10121	0.6
151.03918	1.3
151.11147	2.5
152.04288	0.6
161.13249	0.4
167.14313	5.7
179.14349	0.9
185.04286	0.5
193.05035	0.4
203.05281	0.6
209.15352	4.1
227.05492	0.5
231.13605	2.7
245.06367	1.4
249.14603	10.9
277.14056	0.9
289.05240	4.6
291.15698	0.3
353.65353	0.4
393.18973	1.1
411.19882	13.7
412.20169	0.4
412.82813	0.4
423.19812	1.0
453.20944	23.0
454.21307	0.5
467.18829	2.2
497.19925	100.0
498.20187	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	497.1995
Annotation	Trp Glu Tyr
Peak:m/z	Relative Intensity
51.44920	0.3
67.29160	0.3
72.56812	0.4
80.56271	0.3
81.07044	0.5
83.04961	0.4
85.02882	0.4
91.05471	0.5
93.07049	0.7
95.04996	0.5
100.11295	0.7
105.07044	0.5
117.03409	0.3
119.04951	0.4
119.08549	0.6
124.22276	0.4
131.08641	0.4
133.10141	0.7
137.06009	0.7
147.07993	0.4
151.03906	1.1
151.07544	3.7
165.65646	0.4
177.05458	0.9
177.09166	1.1
191.10683	1.2
201.12779	0.5
204.04578	0.4
210.14751	0.4
229.12299	0.5
234.11366	0.5
249.14883	0.9
258.06290	0.4
259.52148	0.3
275.12704	0.5
322.21426	0.4
335.14761	1.3
443.24188	0.9
497.19928	100.0
498.20001	4.4
498.25476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18320	0.3
50.46838	0.3
55.05510	0.4
59.23065	0.3
65.66624	0.3
67.05501	0.6
67.16405	0.3
67.90078	0.3
69.03445	0.4
69.62911	1.0
71.04998	0.9
72.05272	0.4
72.81269	0.3
81.03439	0.6
81.07067	1.6
85.02930	1.6
93.07049	0.6
95.14166	0.3
105.07053	0.4
107.08608	0.7
109.02888	0.8
109.06514	0.5
109.10181	1.0
111.04454	0.6
111.48817	0.3
123.08086	0.4
125.05981	0.7
127.03969	0.6
129.05429	0.4
133.10027	0.4
135.11731	1.0
137.05969	2.1
153.12782	1.6
154.13081	1.1
166.08653	0.3
167.03413	0.7
169.04907	2.0
177.05574	0.4
185.04152	0.4
191.03397	0.6
195.02916	0.5
209.04536	0.6
227.05315	0.6
249.14621	3.1
251.05692	0.5
277.14044	0.7
283.15497	0.7
291.15628	0.4
293.06970	0.4
393.19003	0.8
411.19910	12.5
432.67966	0.4
435.20071	1.0
453.20966	30.5
454.21194	1.4
497.19968	100.0
498.20233	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	497.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81581	0.6
55.05500	2.1
56.96567	0.7
60.33422	0.5
67.05508	1.9
69.03417	0.8
69.42402	2.0
78.01428	0.6
79.05482	1.1
81.03420	2.5
81.07058	2.5
83.04990	1.7
83.08615	1.6
85.02936	0.6
91.05486	1.9
91.89790	0.5
93.07068	0.9
93.20687	0.5
95.04967	1.6
95.08622	1.2
97.02918	0.7
97.06528	0.8
97.10150	0.9
98.97596	2.1
100.61813	0.5
105.07059	1.3
107.04932	2.8
107.08621	1.5
109.10154	3.0
111.08126	0.9
116.98627	1.0
123.11716	0.9
127.03958	0.6
129.05495	0.6
133.10175	0.6
135.04362	0.6
135.08109	0.8
137.05963	0.7
137.09601	0.7
151.11212	1.2
166.46446	0.6
167.03445	0.5
167.14362	1.1
169.12256	1.5
179.03366	0.8
193.12207	0.9
195.23604	0.6
198.15103	0.6
203.05417	0.9
209.04405	0.8
219.01788	1.0
227.05290	0.7
227.12833	1.5
231.13643	2.4
237.02927	1.5
245.06459	2.5
249.14746	1.5
271.04370	1.2
285.16956	0.7
286.17368	1.6
289.05261	7.8
290.10342	0.6
301.16428	4.1
411.20010	3.7
435.19827	0.9
437.18463	1.3
453.20837	7.6
453.25769	0.5
455.19589	0.9
479.12378	2.0
497.14697	5.0
497.20023	100.0
498.20532	2.8
498.26700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.48986	0.4
56.85193	0.4
67.05489	0.9
69.39517	1.4
71.05016	0.7
79.05505	0.4
81.07041	1.0
85.02891	0.7
93.07044	0.7
95.04945	0.8
98.09712	0.5
105.07079	0.5
109.10181	1.1
137.05968	2.1
149.05998	0.5
151.03932	0.5
153.12704	1.1
154.13058	1.0
167.03403	0.5
169.04974	1.1
181.04962	0.6
191.03503	0.5
198.14877	0.7
209.04434	1.6
227.05356	0.9
249.14513	2.2
251.05563	0.8
277.14188	0.6
283.15549	0.7
393.19064	0.7
411.19897	11.7
435.19974	0.7
453.20920	27.2
454.21088	1.0
497.19931	100.0
498.20132	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	497.2303
Annotation	EI-1625-2
Peak:m/z	Relative Intensity
53.85157	0.9
64.15504	1.0
65.79230	0.9
66.98613	0.9
70.14933	2.2
70.96067	0.8
107.03063	1.1
142.65625	0.9
161.86324	1.0
212.17751	1.0
274.97464	1.4
337.06125	1.0
338.05045	1.0
338.96744	1.1
355.41742	1.0
463.30988	1.4
497.23004	100.0
498.23254	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	497.251
Annotation	O-Cinnamoyltaxicin I
Peak:m/z	Relative Intensity
56.59122	0.5
66.26411	0.5
67.05505	0.9
69.07047	0.5
71.12477	0.5
71.43592	0.6
74.54340	0.4
77.54581	0.6
79.05520	0.5
81.07059	1.5
93.07053	0.8
95.08600	1.0
107.08636	0.4
111.04381	0.5
111.28052	0.6
119.08517	0.6
123.04405	0.5
139.03888	0.7
149.05986	0.6
163.07529	0.6
171.14503	0.5
195.00333	1.9
223.65387	0.5
261.60107	0.5
412.17664	0.5
451.23755	0.8
455.21976	0.6
479.23871	9.5
497.25043	100.0
498.25381	5.2
501.38538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.29
Annotation	Ardisenone
Peak:m/z	Relative Intensity
52.26635	3.0
53.97326	3.2
55.05517	21.6
61.97625	3.2
66.96781	3.2
67.05505	42.6
68.99787	4.1
69.07070	13.3
72.04517	5.4
73.47995	3.8
79.05502	24.7
81.06608	2.7
81.07055	61.1
83.08602	12.4
85.02901	4.3
86.09718	3.2
86.17932	4.0
91.05488	12.7
93.07024	20.6
95.04993	7.2
95.08611	37.7
97.10111	3.6
100.27840	3.4
103.46933	3.2
104.10716	5.9
105.07024	5.4
107.04999	3.9
107.08571	8.7
107.35375	3.1
109.10151	23.1
111.04417	8.6
117.06978	3.4
121.06485	4.9
121.10150	8.5
123.04433	8.5
123.11712	6.6
125.06000	27.4
133.06483	5.9
137.06024	20.4
139.03883	10.1
139.07538	13.0
141.07028	4.0
145.06480	5.1
147.04431	4.7
147.08014	3.6
151.96562	3.4
153.05453	45.1
161.05963	5.9
163.07553	10.4
164.87212	3.7
167.07040	26.4
173.06018	5.9
175.07607	4.0
177.05458	16.7
177.09106	5.7
179.07083	7.8
183.08058	3.8
185.05936	8.1
187.03925	4.5
189.05513	5.9
189.09076	7.6
191.07071	6.2
191.10678	6.1
193.08591	6.0
197.05989	7.1
198.06653	5.1
199.07570	13.3
200.04639	5.0
201.05568	4.0
201.09254	3.4
203.06979	6.1
211.07550	7.8
212.04718	5.8
213.05479	15.7
213.09097	8.6
214.06273	5.7
215.03416	4.2
215.07082	5.5
217.08684	4.2
221.06029	3.5
225.05467	7.2
225.09166	6.5
226.06204	11.0
227.07054	28.4
228.07822	13.2
229.04912	16.5
229.08562	5.6
230.05743	14.6
231.06508	4.9
235.07681	3.9
237.09225	5.3
239.07056	11.4
240.07948	4.9
241.04968	9.4
241.08591	28.6
242.05711	9.4
243.06500	27.2
243.10304	4.2
244.03659	5.5
244.07301	10.7
245.04454	13.5
245.08066	17.9
246.05331	4.6
250.19862	3.5
251.07072	6.7
253.04900	4.7
253.08629	7.4
255.06471	35.9
255.08902	3.9
255.10239	6.4
256.07352	21.6
257.04401	8.9
257.08063	27.6
258.05249	12.1
258.08890	6.3
259.06027	89.7
259.09149	6.3
259.09702	5.8
260.06708	17.4
265.08514	7.0
267.06479	11.3
267.09866	4.7
269.08160	27.5
270.08859	7.0
271.06155	6.6
271.09549	12.8
272.06726	20.6
273.07574	87.3
274.08325	69.9
275.05453	7.0
275.09119	7.7
276.06213	6.2
281.08264	7.5
282.08749	7.8
283.09644	11.7
284.06229	3.3
284.10172	6.9
285.07532	10.9
286.08347	8.4
287.09131	78.8
289.07065	27.8
289.10388	5.4
290.07867	10.5
291.08594	15.4
295.09705	5.2
297.11166	8.3
298.12140	5.4
299.09088	14.3
301.10770	10.6
303.08661	9.3
305.10229	12.4
309.11493	4.2
313.10672	10.0
315.12238	10.2
327.12042	6.1
329.13766	6.2
345.24326	5.1
357.36398	3.5
447.25397	7.6
448.26038	13.2
451.28421	14.0
461.27060	16.2
464.25681	7.4
465.26056	17.1
466.27121	63.9
469.29611	7.2
479.27972	100.0
482.26453	5.5
497.28842	95.9
497.35718	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	497.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
55.05523	3.0
57.07061	2.0
62.78413	2.1
65.03922	2.1
67.05509	14.3
68.99799	1.8
69.07089	3.4
79.05497	8.7
81.07061	11.7
83.08613	1.8
89.06036	3.3
91.05483	6.6
93.07047	5.7
95.04960	3.4
95.08625	11.4
97.06524	5.3
97.10138	2.3
105.07045	4.2
107.04937	3.1
107.08582	2.5
109.06525	2.5
109.10183	4.1
110.03658	2.6
111.04465	1.9
115.05426	3.1
117.07029	3.3
119.08567	1.8
121.06510	4.6
121.10136	7.5
123.04428	7.0
125.05997	68.4
129.07083	3.9
131.08549	3.9
133.06502	11.4
133.10268	2.1
135.08025	1.8
135.11722	4.1
137.05969	16.6
139.03914	3.9
139.07509	4.1
141.06993	2.6
145.06506	4.4
145.10114	2.1
147.08054	10.2
149.13219	2.0
151.07552	8.4
153.05469	100.0
160.05316	2.2
161.05974	11.3
161.09598	3.3
163.07600	11.0
163.96072	2.1
167.07062	8.1
168.65877	1.9
169.10136	2.1
173.06027	4.5
173.09615	1.8
174.06824	2.7
175.07533	14.1
177.05476	3.3
177.09119	7.7
179.07033	31.8
187.07562	7.0
187.11263	2.0
189.09174	5.0
191.07059	5.0
191.10722	4.6
193.08603	45.2
200.08261	1.9
201.09138	4.6
201.12706	2.3
203.10675	3.9
205.08658	4.9
207.10176	9.2
215.10701	6.1
217.12350	2.5
219.10129	11.6
225.81059	1.9
229.12268	3.6
233.11774	16.6
247.13290	3.3
325.27328	3.1
357.24207	2.3
447.25168	2.6
451.28696	2.4
465.26495	4.8
469.29321	7.7
479.27832	7.9
497.28275	19.0
497.35565	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	497.2901
Annotation	Ardisenone
Peak:m/z	Relative Intensity
51.93501	0.7
52.03185	0.9
53.03942	1.4
55.01877	0.9
55.05508	3.8
57.07075	1.2
65.03937	5.5
65.04219	0.9
67.05164	1.4
67.05508	19.7
68.99789	3.0
69.03406	1.6
69.07060	3.9
69.78745	1.4
79.05486	10.6
81.07056	13.8
82.04200	2.4
83.04967	1.4
83.08601	1.8
91.05459	5.8
93.03381	1.5
93.07054	7.6
95.04972	8.9
95.08608	12.4
97.06532	4.8
103.05463	3.0
105.04510	1.4
105.07027	5.8
107.04975	7.2
107.08587	4.4
108.02099	8.1
109.06522	4.1
109.10143	4.7
110.03635	2.1
111.04472	7.4
115.05457	5.0
117.07026	4.4
119.08581	2.8
121.04031	1.3
121.06501	7.0
121.10155	2.6
123.04436	10.4
123.08054	1.3
123.11710	2.0
125.05989	81.7
126.06313	1.1
126.48764	0.9
129.07027	2.2
131.04938	1.7
131.08559	2.7
132.05714	1.4
133.06490	13.7
133.10103	1.9
135.08023	3.7
135.11696	2.0
137.05975	35.6
139.03905	4.7
139.07558	1.9
141.05466	25.5
143.08496	1.4
145.06461	3.3
145.10085	1.5
146.07195	0.9
147.04416	1.4
147.08029	11.7
147.11688	1.4
149.05974	3.6
149.09628	2.3
149.13258	1.5
150.99222	1.0
151.03902	62.0
151.07521	10.4
152.04514	1.6
153.05466	100.0
154.05804	1.2
157.06496	1.1
159.08096	1.0
160.05183	3.0
161.05992	13.5
161.09625	1.4
162.06761	2.4
163.06192	1.5
163.07532	25.1
165.05460	2.1
167.07066	7.7
169.04982	2.7
171.08104	1.1
173.05986	1.4
174.06757	2.5
175.07552	20.5
177.05515	6.2
177.09093	25.3
178.06133	1.0
179.07027	26.8
181.04968	3.6
187.07558	4.7
189.09059	8.7
189.16365	1.5
191.07037	3.0
191.10686	18.6
193.08597	48.7
193.64758	0.9
196.07266	5.9
201.09070	2.5
203.10687	11.3
205.12180	4.8
207.10100	5.4
211.09561	2.3
213.08936	1.6
215.10611	6.1
217.12206	7.7
219.10101	1.2
221.11725	1.3
227.10623	1.2
229.12263	3.1
231.13751	2.3
243.13866	2.3
327.22821	1.2
339.23178	1.4
339.91428	0.9
345.24194	3.4
357.24374	0.9
421.65320	1.1
437.26810	1.1
447.25015	1.5
461.26993	1.1
465.26355	6.2
479.27893	12.8
497.20425	1.6
497.28149	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53635	0.3
52.98710	0.3
55.05505	1.2
57.07075	1.3
59.04867	2.2
60.05352	0.7
60.05648	9.1
67.05499	1.2
68.05032	1.2
69.05806	0.4
69.07054	0.8
69.27827	0.9
69.28215	0.5
70.06590	56.8
71.04991	4.3
71.06921	0.6
72.05629	0.7
72.08139	2.2
73.24413	0.3
79.05502	0.7
80.05016	1.9
81.07069	1.3
82.06560	0.7
83.04948	0.3
84.08143	0.6
85.02905	0.3
85.07703	0.4
86.07189	3.0
87.07971	6.7
88.07626	0.7
91.05457	0.5
93.07037	0.8
95.06089	3.6
95.08611	0.7
96.04465	0.5
96.07445	0.3
97.07649	1.3
97.10148	0.4
98.06041	1.7
98.97596	0.4
99.04440	0.4
103.68112	0.3
103.68806	0.3
107.08620	0.4
108.04475	1.5
109.10179	0.4
110.06042	4.1
112.03969	0.4
112.08728	3.6
113.07136	1.8
114.05588	0.5
114.10290	1.3
116.07083	2.6
123.04414	0.3
124.04021	0.4
124.07663	0.4
124.08827	0.4
126.05502	0.4
130.09755	13.9
136.03947	0.8
136.07584	0.7
136.20602	0.3
138.05531	1.7
138.09094	0.3
140.03436	2.2
140.07085	0.5
140.08102	0.6
143.86385	0.3
152.07089	1.1
154.05016	1.4
158.09283	1.8
159.09988	0.5
164.07031	0.6
165.07903	1.2
168.02921	1.1
168.06549	4.3
168.07903	0.4
170.08322	0.3
174.11214	0.4
175.11900	2.3
178.06145	0.6
178.08572	0.5
179.04544	0.5
180.06485	0.4
192.06586	1.1
194.08160	0.5
196.06032	0.5
198.08833	0.4
201.08685	0.3
201.92728	0.3
242.07758	0.8
246.36185	0.3
248.23804	0.5
253.14067	0.4
274.97440	0.4
276.23312	1.1
278.24673	0.4
282.20621	1.3
304.22681	5.4
306.24249	1.4
308.18527	1.2
312.21600	0.7
314.21207	0.4
322.23666	1.0
326.19672	1.2
332.22229	2.4
334.20065	0.5
334.23727	3.5
340.21219	1.3
350.23230	0.6
360.21704	2.8
361.24869	1.0
362.23340	0.5
364.24997	0.8
378.22772	4.0
379.25793	0.8
392.24292	11.6
392.29410	0.6
394.25726	0.5
403.26984	0.8
404.25302	0.5
406.22205	0.9
421.27942	0.8
434.26636	0.6
438.24677	2.0
439.25519	0.3
448.24704	0.4
453.30743	0.5
461.28180	0.3
465.27280	0.4
479.28967	0.4
480.27121	1.3
497.29666	100.0
498.30017	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	497.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.05515	22.3
57.03440	27.8
60.72670	2.9
61.02927	60.0
62.42132	2.8
65.03949	4.1
67.05163	5.5
67.05505	94.0
69.03423	40.2
69.07064	21.8
69.51152	8.8
71.04989	7.5
73.02920	28.6
75.65110	2.7
79.05490	56.5
81.03418	24.3
81.07055	100.0
83.04974	5.3
83.08611	13.1
85.02903	70.2
87.04453	4.4
91.03957	46.4
91.05487	44.5
91.06023	4.8
91.06251	2.4
93.07044	63.5
95.04953	13.5
95.08608	72.8
97.02885	60.8
97.06542	7.3
97.10155	7.6
98.22759	7.0
98.97558	4.5
99.04463	17.6
101.02377	12.0
103.03946	11.2
105.07013	28.4
107.08595	33.2
109.02876	10.5
109.06497	5.4
109.10130	28.6
111.04428	4.6
115.03925	5.5
117.07008	13.8
119.08582	23.0
120.66303	3.5
121.10143	35.6
123.11715	12.2
127.03920	26.7
129.05463	6.3
129.06979	5.0
131.08537	22.8
133.10155	17.2
135.08037	3.8
135.11707	21.6
137.06017	4.3
137.09645	3.6
137.13292	3.6
143.08632	4.5
145.04964	11.4
145.10098	17.0
147.11670	11.1
149.13252	13.9
157.10089	3.5
159.11659	15.0
161.13268	13.5
163.14775	3.6
171.06583	3.4
171.11626	3.2
173.13264	10.3
178.26381	3.8
183.06537	6.5
187.14890	4.0
201.07588	3.5
243.21043	6.6
243.79169	3.4
259.20490	4.7
261.22095	29.4
274.97498	3.7
303.23355	5.4
317.17709	4.7
331.58411	3.1
335.21713	4.3
335.25760	85.9
338.96875	4.5
369.24039	6.8
443.27536	5.2
461.28857	4.2
462.11880	3.2
479.30072	4.3
497.31195	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.3
57.07053	1.7
61.31887	1.4
62.64352	1.7
65.03945	3.2
66.29484	1.8
67.05506	9.8
69.07064	3.6
69.12766	10.2
79.05483	5.6
81.07052	11.2
82.04199	2.3
89.06043	3.6
91.05473	7.5
93.03439	1.9
93.07038	2.1
95.04948	4.8
95.08595	7.6
97.06534	5.4
103.05446	3.5
105.07058	4.0
107.04934	10.7
109.06512	4.2
109.10147	2.6
111.04453	5.2
115.05468	3.3
117.07008	2.5
121.06498	9.6
123.04420	8.1
123.08048	2.7
125.05992	75.5
133.06482	8.3
133.08676	2.2
135.08076	2.3
137.05974	74.2
139.03947	4.9
139.07545	3.2
147.08070	6.1
149.05994	2.4
149.09645	2.8
151.07550	30.3
153.05467	100.0
160.05128	2.7
161.06010	4.5
161.09668	1.8
162.06860	3.0
163.07550	42.1
163.61351	1.5
167.07039	5.4
175.07561	6.3
176.08202	1.9
177.09113	78.3
179.07027	18.5
189.09074	2.9
191.10672	13.8
193.08592	26.8
203.10635	1.6
205.12314	5.2
206.73869	1.6
207.10213	4.4
224.52864	1.6
257.08130	3.2
283.17474	1.5
465.29858	1.6
479.31631	9.2
479.37482	1.5
497.32520	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	497.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84269	0.3
53.03941	0.3
55.01875	0.3
55.05510	1.2
56.70083	0.3
57.07092	0.4
59.09246	0.3
62.18766	0.2
65.03948	0.7
65.97358	0.3
67.05504	4.0
68.25887	0.3
69.03422	0.5
69.07063	1.2
69.46643	0.5
69.47038	0.6
77.03906	0.4
79.05488	3.6
79.59298	0.3
81.07061	5.6
83.01336	1.9
83.08636	0.7
91.05470	3.9
93.07027	1.4
95.04953	1.5
95.08608	3.6
96.05752	1.1
97.10139	0.4
98.22942	1.1
98.23517	0.3
105.04522	0.4
105.07027	1.6
107.04950	2.3
107.08620	0.5
109.06510	2.7
109.10178	1.1
111.08084	2.0
115.05445	0.6
117.07018	1.4
119.04943	0.6
119.08514	0.3
121.06506	2.2
121.10139	0.7
123.04405	1.0
123.08088	1.4
123.11724	0.4
124.05213	4.8
125.05981	2.8
129.06996	0.8
130.00179	0.3
131.08563	0.9
133.06503	0.6
135.08028	2.4
137.05975	48.0
138.06734	0.3
139.07536	52.9
140.07863	0.4
145.06476	1.3
147.08028	1.5
149.05980	0.4
149.09595	1.5
151.07536	22.5
153.05453	5.2
155.07050	0.5
157.06464	0.3
159.08043	1.2
161.05954	1.1
161.09618	1.4
162.06812	0.6
163.07541	13.6
163.11154	0.4
165.06682	0.5
165.09117	1.0
166.06255	0.4
167.07033	100.0
168.07404	1.5
171.08034	0.6
173.09612	0.4
175.07506	2.9
176.08238	0.4
177.09103	25.8
178.09402	0.3
179.07051	0.8
181.08627	1.3
189.09126	2.7
191.10645	7.4
192.07779	0.4
193.08603	4.8
203.10666	1.2
205.12231	1.0
207.10159	8.4
217.12169	1.5
221.11739	1.3
231.13847	1.0
308.79822	0.3
343.26346	1.8
345.27655	0.3
364.36459	0.3
369.20670	0.3
383.22098	0.5
401.12082	0.3
401.23157	0.4
447.28754	0.6
465.30048	4.0
469.56543	0.3
478.83640	0.3
479.31564	1.7
497.21024	0.7
497.32684	7.8
498.33179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72708	2.5
55.05512	5.1
57.07095	2.8
67.05512	9.7
69.07072	9.1
69.63584	9.9
79.05499	6.1
81.07048	22.5
83.04143	2.4
83.08629	7.2
83.48605	2.4
89.06024	20.1
90.06411	3.2
91.05484	10.3
93.07056	11.7
95.04980	7.0
95.08601	32.1
97.06556	2.9
97.10119	2.5
98.22790	3.8
100.95623	2.7
105.07022	15.8
107.08601	40.0
109.06531	6.1
109.10154	23.0
111.08051	2.8
113.09669	3.1
117.07065	4.1
119.08564	29.7
121.10152	32.2
123.08073	6.8
123.11728	19.7
125.06001	7.9
131.08591	8.2
133.08595	7.4
133.10118	17.2
134.41615	2.5
135.08037	4.6
135.11713	11.5
137.05942	3.5
137.09622	4.9
139.07495	3.0
143.08621	3.4
144.09317	3.1
145.10132	16.5
147.11719	10.1
149.09639	14.0
149.13263	5.6
151.07571	5.8
151.11214	4.0
153.05481	5.6
157.10086	6.9
159.11662	18.3
161.13257	14.9
163.07487	2.7
163.11185	5.9
167.07103	6.1
171.11705	5.7
173.09641	2.5
173.13234	14.0
175.11162	2.5
175.14839	16.3
177.09122	7.0
177.11215	4.8
177.16389	39.1
183.11632	4.9
185.13309	4.8
186.92368	2.8
187.14842	8.5
189.16382	8.3
193.15939	4.1
197.13208	3.1
199.14841	7.2
199.16725	2.5
201.16380	13.3
205.15877	5.4
209.13550	2.4
211.14989	3.0
213.16393	2.7
215.17970	5.1
217.15942	7.2
219.17432	100.0
231.17462	5.0
233.19080	9.7
245.19005	3.8
257.19098	2.6
267.21143	3.3
273.22202	2.8
283.17432	9.3
284.17862	10.0
297.51904	2.9
315.23361	3.0
321.92227	2.9
384.82132	2.7
419.33054	12.1
437.34119	10.2
479.35181	11.1
497.29205	5.8
497.36334	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3602
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
69.19279	2.1
83.37786	0.4
84.06928	0.4
85.79708	0.4
128.43053	0.4
137.06018	0.5
153.05447	0.6
158.68163	0.4
161.70958	0.4
181.85501	0.4
304.68777	0.4
317.03830	0.5
439.60651	0.4
497.35989	100.0
498.36447	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	497.3605
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
51.39519	0.3
57.07080	0.5
62.84286	0.2
67.05509	0.3
69.17809	1.8
72.46233	0.3
81.07037	0.3
87.67905	0.3
88.33929	0.3
91.05431	0.2
93.07011	0.4
98.22728	0.7
105.07040	0.4
125.06005	0.7
129.08253	0.3
136.62964	0.3
137.05948	0.4
153.05472	0.9
163.07578	0.6
167.07152	0.3
179.07040	0.3
193.08618	0.3
218.44882	0.3
223.61554	0.3
249.27727	0.3
289.06589	0.3
315.22971	0.9
325.27332	0.7
479.35355	0.4
497.36060	100.0
498.36453	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	497.3605
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
51.22451	0.1
62.04980	0.1
67.05492	0.1
81.07087	0.2
95.08595	0.1
98.98528	0.1
105.59733	0.1
107.08544	0.1
109.10201	0.1
130.78923	0.1
137.57870	0.1
223.13098	0.3
299.19754	0.6
313.21393	0.2
314.22116	0.3
315.22858	0.5
325.27374	0.1
344.60785	0.1
479.34958	0.3
489.74646	0.1
497.35980	100.0
498.36359	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	498.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03423	1.4
59.78913	0.7
66.12662	0.7
67.05496	0.8
69.03427	4.8
69.07053	0.9
69.36787	2.9
71.04981	1.5
73.02921	1.2
79.01859	3.7
81.07046	2.4
85.02899	4.7
87.04466	0.9
88.75790	0.9
91.05489	1.2
97.02896	3.5
97.06521	1.8
98.23479	1.6
99.04469	1.5
103.03962	0.8
105.07053	1.1
107.01295	0.9
107.04977	1.5
107.08559	0.8
109.02906	1.7
109.10149	3.0
113.06005	1.1
115.03942	2.0
119.04949	2.7
125.02376	3.4
127.03898	1.6
131.04912	2.0
133.02884	1.4
133.05008	1.4
133.06499	0.9
137.02319	1.8
137.06000	1.0
137.13240	1.1
139.03937	0.8
143.03412	5.6
147.04433	4.1
150.03113	1.4
151.03905	3.0
151.11227	1.7
153.01830	100.0
153.02901	5.0
153.05351	4.2
154.02168	2.4
159.04388	5.1
162.03122	2.7
163.03918	3.8
164.04684	0.9
165.05452	0.9
167.03412	2.4
167.07033	0.9
169.12186	5.4
170.85744	0.9
173.02420	1.5
175.03900	6.0
176.04724	1.3
177.01807	1.7
177.05499	2.8
178.02583	2.1
179.03346	4.6
179.06979	1.5
180.00537	2.9
181.04961	1.5
187.03903	2.2
187.13264	1.1
190.02629	2.4
191.03400	15.1
191.07057	1.0
193.04971	5.9
194.02177	1.3
195.02913	11.2
197.04445	9.5
199.03873	1.0
202.02539	0.9
203.03355	1.0
204.04176	2.1
205.04945	10.1
207.02992	1.2
207.06569	3.6
209.04460	7.4
211.02402	0.8
215.03372	2.1
216.04146	1.4
217.04913	2.8
218.02066	1.7
219.02931	1.3
219.06506	6.1
220.03439	1.1
221.04477	4.1
223.02348	1.8
223.06015	5.1
225.04013	1.0
229.05049	1.2
230.01970	1.5
232.03566	1.0
233.04460	17.1
235.06047	4.8
237.03893	1.1
245.04362	5.2
247.05974	8.4
249.03938	1.1
251.05496	17.4
255.05042	1.5
257.04572	0.9
263.05508	34.4
275.05508	8.3
281.06540	6.0
293.06528	9.0
295.10217	1.1
311.07648	9.2
372.09906	0.8
431.36816	0.7
452.04578	0.8
463.08438	1.5
481.09689	3.8
498.20309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
54.17303	0.7
79.01846	4.4
85.02892	4.1
87.00854	0.9
90.44321	0.8
97.02876	1.5
98.22631	1.9
103.03928	0.9
107.01261	0.8
113.35667	0.6
125.02325	2.7
133.02849	0.8
143.03401	5.0
151.03842	0.9
153.01825	100.0
153.02887	5.0
154.02141	1.7
159.04518	1.1
175.03926	1.0
177.01842	2.8
177.05424	1.1
179.03439	1.0
181.04962	7.2
181.92920	0.7
187.03937	2.1
191.03410	2.4
193.04877	0.9
194.02112	0.8
195.02762	1.5
197.04518	1.3
199.03879	1.7
205.04944	1.7
207.02887	0.8
209.04460	10.4
213.03990	2.5
215.03383	0.8
219.06558	1.7
221.04463	3.3
232.03683	0.7
233.04501	3.0
243.02959	1.1
247.06041	2.9
251.05501	5.4
255.04857	3.3
257.04401	1.7
260.03247	1.4
263.05487	2.7
275.05496	10.3
289.27634	0.7
293.06528	9.5
302.18295	0.7
311.07611	2.7
319.69693	0.7
349.83844	0.8
481.10001	3.8
494.70898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44450	0.4
61.05568	0.4
69.58079	1.4
79.05508	0.6
85.02896	1.0
89.72759	0.4
91.05477	1.8
93.07037	1.3
97.02879	0.7
103.05464	6.2
107.04946	1.4
119.04933	1.2
120.08102	100.0
121.08404	1.3
131.04924	2.0
137.05971	4.6
139.03874	2.6
147.04420	1.6
149.05978	1.9
157.05055	0.4
166.08635	47.9
167.07059	0.6
167.09035	0.8
169.05025	0.4
171.06546	1.8
179.07040	1.6
197.08144	1.4
325.42865	0.4
347.23984	0.4
395.26846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
59.36033	0.3
65.03935	2.8
67.05499	1.4
69.03410	1.1
69.21468	0.7
69.21870	1.7
71.04984	0.9
72.08129	0.3
76.46557	0.3
76.97227	0.3
78.91862	0.3
81.03422	2.9
81.07035	0.8
82.04190	1.4
85.02920	3.5
91.05455	0.3
93.03404	0.9
93.07029	0.6
95.04958	2.4
97.02896	1.4
97.06508	0.6
99.04464	0.5
108.02089	0.7
109.02872	1.3
109.10172	0.8
110.03656	1.1
111.04434	0.8
111.99340	0.3
120.08182	0.4
121.06519	1.5
123.04404	1.1
125.06002	1.1
127.03925	0.6
137.09598	0.3
138.03145	0.8
139.03896	0.4
140.04689	5.3
142.02600	0.5
145.02844	0.9
151.03947	2.3
153.05424	3.6
153.12741	1.5
154.05795	0.3
154.13087	0.8
155.07004	2.7
169.12222	0.7
171.06557	2.9
177.05496	1.4
181.04956	100.0
182.05309	1.1
199.06017	7.6
209.04445	0.4
234.11270	0.7
275.34311	0.3
283.08273	0.3
313.09430	0.4
322.21118	0.9
325.09109	4.3
343.10257	8.1
398.23471	0.3
453.76526	0.3
454.20798	0.4
498.19586	0.6
498.25659	1.0
499.21130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99686	1.1
55.05524	1.3
57.03435	1.9
61.97859	1.1
69.03428	4.7
69.62947	3.9
70.56033	1.1
73.02893	1.1
73.62306	1.2
79.97489	1.2
81.03413	4.3
85.02905	12.4
87.00832	5.4
91.05481	2.1
97.02891	3.4
98.97584	2.9
99.04436	3.1
105.01875	5.3
105.07023	7.0
109.02853	5.8
116.98619	1.6
119.04930	6.4
121.06518	2.5
124.80223	1.3
127.03912	8.8
128.06227	3.8
129.01868	1.2
131.08565	7.4
133.10101	1.6
135.08047	3.9
137.05995	1.6
141.07005	2.4
142.07808	5.1
143.08560	65.4
145.02841	4.3
145.04955	3.5
145.10139	8.3
146.07013	1.4
155.08560	52.2
156.09338	4.9
157.10121	8.4
158.07234	3.4
159.02942	1.6
159.08083	4.5
159.11761	2.1
167.08551	3.5
169.10078	8.2
171.11682	3.1
173.09621	56.4
174.10013	1.6
177.05447	6.5
182.10909	11.2
185.13266	16.0
185.71545	1.3
186.10437	3.1
187.11227	6.6
187.13133	1.1
187.14873	1.6
197.13255	100.0
198.13675	2.4
215.14297	60.6
216.14639	2.8
219.01801	2.1
220.97000	1.4
231.05008	1.9
233.15347	42.2
234.11264	2.9
269.17627	1.6
322.21268	1.9
338.64206	1.3
438.19025	1.6
438.87198	1.3
498.19586	2.2
498.26242	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05480	0.7
57.07069	1.4
67.05487	0.6
69.03405	1.2
69.07095	0.6
71.06621	0.7
81.03401	1.1
81.07040	1.2
85.02895	3.6
87.00813	1.3
91.05468	1.3
93.02592	0.4
93.07008	0.6
94.83173	0.4
97.02888	1.7
99.04460	0.9
104.17834	0.4
105.01865	1.0
105.07024	2.1
107.08605	0.5
109.02866	1.3
115.05416	0.5
115.51458	0.5
117.03423	0.6
119.08608	0.6
122.35964	0.4
127.03905	2.6
128.06198	1.4
129.07024	2.9
131.08543	1.7
141.06985	10.4
142.07822	2.8
143.08548	6.6
145.02832	3.2
145.10141	1.5
151.07541	0.5
153.06964	1.3
154.07770	2.1
155.08559	22.8
156.09340	6.4
157.10133	3.7
158.07280	0.5
159.02911	0.8
159.08034	2.0
167.08551	5.9
168.09341	1.1
169.10112	11.7
171.11690	1.1
173.09610	1.8
177.05460	4.0
181.10075	0.8
182.10904	11.2
182.12471	0.8
185.13258	3.2
187.11208	0.9
192.72868	0.5
195.11903	0.6
197.13248	100.0
198.13551	3.4
199.14781	1.2
215.14301	47.0
216.14668	1.1
231.04834	0.8
233.15396	0.8
234.11223	1.7
322.21249	1.3
351.85785	0.5
392.07275	0.5
392.69949	0.5
445.18250	0.7
461.94168	0.6
468.92816	0.5
498.26001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01873	3.4
55.05508	5.0
57.03436	16.2
59.04996	4.6
61.02937	4.4
66.93082	2.5
67.05509	4.5
69.03427	59.4
69.07067	15.8
70.06581	3.3
71.04992	51.0
71.42075	3.0
72.08136	4.3
73.02894	3.6
79.05492	7.7
81.03460	5.7
81.07059	15.0
83.05000	3.4
85.02911	53.2
85.64088	2.6
87.04464	38.6
91.05520	5.3
93.07034	7.3
95.04962	5.0
97.02895	44.4
97.06532	29.7
99.04464	4.9
107.08598	7.8
109.02885	5.8
109.06511	3.1
109.10146	6.3
111.04496	4.9
111.08078	9.4
115.03939	64.2
121.10159	2.6
123.04396	2.7
123.11689	13.4
127.03899	8.8
133.04965	60.8
133.10201	5.4
137.06001	4.3
137.09654	3.3
138.05524	6.3
139.03923	5.0
145.04965	12.1
147.04430	2.9
149.05978	6.3
151.03888	9.6
151.11197	47.7
153.01819	21.5
161.80122	2.5
163.11151	2.8
169.12239	100.0
177.05493	15.5
181.78139	3.1
191.03458	5.6
193.04790	3.6
195.03026	2.8
209.04312	5.9
223.06219	2.8
251.05513	3.8
259.08109	5.7
262.90860	2.7
263.05527	4.0
267.11316	4.7
273.11298	2.9
283.15430	9.6
295.10492	12.6
301.07007	3.2
301.10590	4.7
301.16360	6.1
313.11771	41.2
331.17590	6.5
339.09631	4.7
357.42410	2.9
498.26065	8.2
499.13611	39.4
505.36746	2.6
522.22656	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	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01873	23.7
55.05508	39.3
57.03437	17.3
57.07065	7.1
59.04995	4.7
61.02927	8.7
67.05502	89.4
69.03432	9.0
69.07065	18.5
70.06604	2.2
71.01366	9.0
71.04999	11.8
73.02915	11.8
79.05494	52.9
81.03416	63.6
81.07052	48.6
83.04971	36.5
83.08618	14.4
85.02906	23.1
85.06544	8.3
89.11842	2.0
91.03931	3.0
91.05477	30.2
93.07039	47.5
95.04960	18.9
95.08603	28.8
97.02892	40.4
97.06525	15.2
97.10152	15.6
99.04458	3.7
99.08051	2.3
105.07028	14.2
107.04951	43.1
107.08593	25.2
108.97558	2.0
109.02888	4.7
109.06534	5.4
109.10151	83.6
111.04448	22.1
111.08074	9.9
117.07014	17.2
119.08580	24.0
121.06503	7.1
121.10143	19.7
123.04477	2.6
123.08051	5.6
125.05975	2.6
125.09637	12.5
127.03923	5.7
129.05481	3.5
129.06999	5.9
130.07784	2.1
131.08577	12.0
133.10135	5.1
134.61748	2.0
135.04361	2.3
135.08083	5.6
135.11691	32.1
137.05960	3.2
137.09590	10.0
139.03915	2.0
139.11188	2.8
145.06514	3.1
145.10118	32.7
147.06557	3.7
147.08049	8.6
149.09621	3.8
151.11137	2.2
153.01831	2.7
153.12747	38.9
155.08568	4.7
155.10593	10.7
155.14282	12.5
159.11754	2.2
163.11180	76.8
169.12239	21.9
173.09633	16.4
173.11731	34.5
173.13077	2.4
173.15361	4.5
177.05507	2.7
179.44637	1.7
181.12225	17.1
191.10637	17.5
209.11697	16.7
227.12785	13.3
229.14336	100.0
230.14684	3.4
243.15817	2.6
251.16438	2.5
269.17542	7.2
283.15344	8.7
301.16577	9.3
301.19708	2.1
323.14487	2.1
445.20483	6.3
454.21259	2.4
498.13837	2.6
498.20117	13.9
499.17435	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01864	4.0
55.05509	9.4
57.03437	6.2
57.07078	0.8
59.04975	0.6
61.02925	3.6
65.03940	1.0
67.05164	1.1
67.05505	13.7
69.03423	2.9
69.07064	5.1
69.22066	3.2
70.04216	0.6
71.04991	2.4
73.02908	2.4
79.05486	12.6
81.02958	0.5
81.03413	11.7
81.07053	15.5
81.48998	0.6
82.04190	4.4
83.04977	5.9
83.08615	6.2
84.02126	1.6
84.05762	1.4
85.02896	6.2
85.06543	1.3
89.33287	0.6
91.03938	1.6
91.05481	11.3
93.07044	10.5
94.04172	0.5
95.04960	11.9
95.08601	4.4
96.05756	1.1
97.02900	4.7
97.06525	3.5
97.10167	9.3
97.10760	0.9
98.07307	5.2
99.04459	0.8
99.08097	1.1
102.82095	0.6
105.07031	5.0
107.04976	4.2
107.08576	8.0
109.02877	1.0
109.06519	2.5
109.10144	3.3
111.04432	0.7
111.08090	3.2
113.06015	1.3
113.62743	0.5
115.05494	0.8
116.04710	5.7
117.07024	1.9
119.08550	4.2
120.09322	0.6
121.06496	1.3
121.10117	1.9
122.76885	0.5
123.08086	4.6
123.08849	0.9
123.11686	1.5
124.11994	0.5
125.09627	11.0
126.10415	0.7
127.03943	1.3
127.11185	1.4
129.05472	15.2
129.06882	2.7
131.08557	3.0
133.06349	0.8
133.10114	6.1
135.08028	2.2
135.11681	2.1
136.08852	1.0
137.09604	1.5
137.13237	0.8
142.07794	0.6
143.07047	3.8
145.04951	0.7
145.10124	1.6
147.11647	3.6
149.09586	1.7
149.13226	1.5
151.11160	1.3
153.01839	1.3
153.09145	1.2
153.12660	0.6
155.14381	1.2
155.46008	0.6
157.08598	7.2
157.10089	1.9
159.11662	2.7
163.11220	2.3
165.12740	0.7
171.10132	3.3
175.11171	1.7
177.12700	2.8
179.14307	1.0
181.04945	8.9
181.12292	0.7
187.13347	0.7
189.11256	6.8
191.10735	0.9
193.12239	6.9
199.13295	2.3
200.14055	1.4
209.11774	1.7
210.12529	1.7
211.13237	1.2
215.16443	1.4
224.23222	0.6
227.12769	29.3
243.15843	4.0
251.16284	1.6
257.40887	0.6
257.95908	0.6
267.15900	19.5
267.18762	1.1
269.17502	8.7
275.99353	0.6
283.15341	2.5
284.16196	2.9
285.16922	2.7
301.16449	100.0
302.16785	3.3
319.17520	0.8
343.10284	0.9
375.64505	0.7
412.20279	0.7
412.68127	0.7
413.21359	1.4
454.21158	1.4
455.22375	2.1
463.22620	0.8
498.16446	7.6
499.21686	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	498.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
69.66734	1.2
71.04971	0.8
71.20374	0.4
72.08155	17.2
75.09223	0.5
78.04690	0.4
79.05514	0.5
81.07064	1.9
84.08138	1.0
85.02885	1.0
89.03382	0.5
89.03913	7.5
95.08609	0.7
106.04149	0.7
112.11243	2.3
117.03380	24.0
121.06415	0.4
124.03621	0.3
129.05482	0.4
129.13896	1.8
134.03609	1.3
135.04387	1.1
137.05997	0.5
137.13222	0.8
145.02843	71.7
146.03200	1.5
146.16508	1.5
149.05965	8.8
155.11810	2.0
163.03909	0.7
172.14458	0.7
177.05464	100.0
178.05844	1.5
181.04984	0.6
186.05449	0.6
206.11754	0.9
218.10515	0.9
233.12833	3.3
234.11246	37.9
235.11488	1.1
248.12852	1.8
251.13814	3.0
304.20178	6.4
305.18555	4.8
322.21246	36.9
323.21579	0.9
348.19156	1.4
356.19080	0.4
427.18423	0.9
453.34653	0.6
480.25031	0.7
481.23438	2.1
498.25977	60.8
499.26456	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	498.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.5
55.55835	0.4
58.06617	0.5
63.02370	0.4
67.05510	0.5
69.14831	2.1
69.15258	0.7
70.88856	0.4
72.08154	16.2
81.03419	0.4
84.08125	0.8
85.02917	0.8
89.03916	6.6
91.05488	0.7
95.08637	0.6
99.41750	0.4
102.24844	0.4
104.26741	0.4
112.11242	2.4
117.03376	20.3
121.10111	0.4
127.03928	0.7
129.13863	1.5
130.28589	0.4
134.03621	1.1
135.04414	1.2
137.05940	0.8
139.03853	0.5
145.02843	67.2
146.03174	0.7
146.16469	1.3
149.05975	7.6
151.03900	2.0
153.01762	0.5
155.11742	0.6
163.03928	0.5
169.12207	0.6
172.14462	0.9
177.05466	100.0
178.05803	1.3
186.05473	1.0
206.11655	0.5
218.08223	0.4
218.10455	0.5
233.12897	3.5
234.11243	38.7
235.11592	0.8
248.12808	2.5
251.13867	3.0
259.53714	0.4
264.58502	0.4
304.20218	4.9
305.15860	0.5
305.18597	4.3
322.21228	27.2
323.21478	0.7
348.19040	1.4
414.91342	0.4
427.18680	0.5
480.24722	0.8
481.23337	2.8
498.16605	9.3
498.25735	48.7
499.14584	1.1
499.26755	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	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01876	2.1
55.05497	3.4
57.03428	8.9
57.07067	3.9
67.05496	8.2
69.03413	2.6
69.07067	6.8
69.21761	3.9
69.22153	2.0
71.04990	39.4
72.08139	1.7
73.02909	2.0
74.44106	1.2
75.04465	4.1
79.05492	9.2
81.03407	2.3
81.07053	100.0
82.07384	2.6
83.04982	8.7
85.02904	66.2
86.09705	1.4
87.04456	2.5
89.03883	1.6
91.05493	1.8
91.73041	1.1
93.07033	3.4
93.43301	1.1
95.04947	2.1
95.08599	36.7
97.02878	4.6
97.06544	1.6
99.04440	1.8
103.03916	1.7
105.07011	3.1
107.04932	1.7
107.08580	3.0
109.02872	1.7
109.10185	2.7
111.04417	6.2
111.08096	1.1
113.43343	1.2
117.03347	1.8
119.08557	2.5
121.10159	4.1
121.65557	1.2
123.11692	1.3
124.65035	1.2
127.03888	5.0
129.05475	37.5
135.11644	2.8
137.05956	1.4
137.13246	57.6
139.03915	1.7
139.11160	1.8
140.07120	2.1
145.02856	7.1
145.04921	3.9
145.10060	3.1
147.06519	20.9
151.03911	1.5
153.01807	7.6
153.05432	1.5
155.14278	4.2
161.55774	1.2
163.05972	3.0
163.11153	1.6
168.06577	2.9
169.06841	1.5
169.09778	6.3
170.07027	1.3
170.10092	3.1
177.05475	7.6
181.04933	3.1
181.12271	1.2
185.31448	1.3
191.10670	1.5
191.14355	1.7
205.02910	1.2
205.04805	1.4
209.04417	2.2
211.10779	1.3
233.04512	1.6
233.15111	2.0
234.11263	3.7
245.06184	1.7
255.08717	2.8
273.09717	5.5
275.05432	1.4
283.15515	9.2
289.05194	1.4
301.16592	6.6
309.11823	10.3
322.21274	4.1
413.21307	3.9
455.22672	8.8
498.18805	11.9
498.26257	2.7
499.21463	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01876	2.1
55.05497	3.4
57.03428	8.9
57.07067	3.9
67.05496	8.2
69.03413	2.6
69.07067	6.8
69.21761	3.9
69.22153	2.0
71.04990	39.4
72.08139	1.7
73.02909	2.0
74.44106	1.2
75.04465	4.1
79.05492	9.2
81.03407	2.3
81.07053	100.0
82.07384	2.6
83.04982	8.7
85.02904	66.2
86.09705	1.4
87.04456	2.5
89.03883	1.6
91.05493	1.8
91.73041	1.1
93.07033	3.4
93.43301	1.1
95.04947	2.1
95.08599	36.7
97.02878	4.6
97.06544	1.6
99.04440	1.8
103.03916	1.7
105.07011	3.1
107.04932	1.7
107.08580	3.0
109.02872	1.7
109.10185	2.7
111.04417	6.2
111.08096	1.1
113.43343	1.2
117.03347	1.8
119.08557	2.5
121.10159	4.1
121.65557	1.2
123.11692	1.3
124.65035	1.2
127.03888	5.0
129.05475	37.5
135.11644	2.8
137.05956	1.4
137.13246	57.6
139.03915	1.7
139.11160	1.8
140.07120	2.1
145.02856	7.1
145.04921	3.9
145.10060	3.1
147.06519	20.9
151.03911	1.5
153.01807	7.6
153.05432	1.5
155.14278	4.2
161.55774	1.2
163.05972	3.0
163.11153	1.6
168.06577	2.9
169.06841	1.5
169.09778	6.3
170.07027	1.3
170.10092	3.1
177.05475	7.6
181.04933	3.1
181.12271	1.2
185.31448	1.3
191.10670	1.5
191.14355	1.7
205.02910	1.2
205.04805	1.4
209.04417	2.2
211.10779	1.3
233.04512	1.6
233.15111	2.0
234.11263	3.7
245.06184	1.7
255.08717	2.8
273.09717	5.5
275.05432	1.4
283.15515	9.2
289.05194	1.4
301.16592	6.6
309.11823	10.3
322.21274	4.1
413.21307	3.9
455.22672	8.8
498.18805	11.9
498.26257	2.7
499.21463	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02446	0.9
55.05503	4.8
57.03448	5.3
61.02930	2.2
66.70089	0.7
67.05509	27.7
67.05871	1.6
69.07080	4.6
69.21153	2.2
69.21566	3.1
71.04984	8.0
73.02917	1.1
77.03927	1.2
79.05492	8.5
81.03419	1.1
81.07060	54.1
83.05000	1.8
83.08625	4.1
83.41192	0.9
85.02897	2.7
85.06550	7.4
89.37731	0.8
90.62970	0.8
91.03965	1.0
91.05488	9.8
93.07052	18.0
93.07603	1.5
95.04972	1.5
95.08603	7.0
97.06551	4.4
97.10152	1.1
98.23457	2.0
99.08098	3.1
105.07056	4.4
107.08598	7.2
109.06545	1.6
109.10169	3.0
111.08067	2.4
117.07037	4.8
121.10159	2.9
123.11710	7.8
123.46538	0.9
131.08582	5.9
133.10129	11.8
134.10443	1.1
135.11700	4.4
143.86642	0.9
149.13264	10.2
151.11145	4.2
159.11699	22.8
161.13278	3.2
169.12210	1.6
177.12749	33.1
177.57045	1.0
179.14294	7.9
187.13306	5.7
195.13863	4.6
197.13297	1.0
201.14882	1.0
233.15282	1.2
243.15926	33.1
251.16417	9.9
257.17487	1.0
269.17487	100.0
270.17889	2.8
301.20099	19.3
301.23230	0.6
414.02405	0.8
445.24463	7.6
452.88531	0.9
463.24866	1.1
501.50162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96192	0.7
55.05516	5.1
57.03442	4.5
57.50816	0.7
59.11443	0.7
60.15960	0.6
61.02916	2.7
67.05508	24.1
69.03427	1.7
69.07072	2.5
70.52286	0.7
71.04996	4.7
79.05493	6.8
81.07061	40.7
83.04971	1.6
83.08631	4.1
85.02892	2.8
85.06561	5.4
91.03973	0.9
91.05486	6.6
93.07043	11.0
95.04976	1.0
95.08604	4.8
97.06524	2.9
97.10168	1.4
99.08098	2.2
105.07017	3.0
107.08602	5.1
109.10152	2.4
111.08104	1.3
117.07054	1.6
121.10164	2.0
123.11688	6.7
129.05537	0.9
131.08528	1.5
133.10144	9.0
135.11667	2.7
138.98355	0.7
149.13257	7.7
151.11198	3.4
159.11696	11.6
161.13280	2.5
169.12268	2.4
177.12752	18.4
179.14339	9.3
187.13333	4.6
195.13800	2.2
197.13300	2.1
213.14795	0.7
215.14278	1.3
233.15302	1.6
243.15932	39.3
251.16428	4.4
269.17480	100.0
270.17694	3.8
273.87143	0.8
301.20087	11.7
379.93582	0.7
431.22845	0.9
445.24039	0.9
498.21506	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	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18160	0.8
53.03956	0.8
55.05512	8.9
57.03446	7.8
57.07065	3.5
61.77806	0.9
65.03925	1.4
67.05506	37.3
69.06703	1.4
69.07066	12.9
71.04996	3.9
79.05490	24.5
81.03404	1.5
81.07058	46.1
83.04974	4.6
83.08616	11.0
85.06530	2.4
87.04453	1.1
89.06016	2.7
89.50715	0.7
91.05482	19.5
91.16609	0.8
91.17236	0.8
93.07047	36.2
94.07361	0.8
94.89143	0.9
95.04988	4.4
95.08607	15.9
97.06534	6.6
97.10195	1.5
99.08083	1.8
105.04459	1.2
105.07029	9.7
107.04939	0.9
107.08588	22.0
109.06525	1.5
109.10152	5.1
111.08078	3.4
114.37729	0.8
117.07018	8.0
119.08595	5.9
121.06501	2.6
121.10136	9.3
123.08067	1.0
123.11738	2.5
129.07010	2.3
130.74448	1.1
131.08565	11.4
133.08614	1.5
133.10118	9.1
135.08095	1.5
135.11707	8.1
143.08571	3.0
145.10132	3.8
147.08069	1.1
147.11665	2.0
149.13261	17.1
151.11154	1.3
155.08531	0.8
157.10130	2.8
159.11682	8.8
169.10095	1.3
171.11646	1.6
177.12744	3.3
183.37114	0.8
187.14731	0.8
194.39815	1.0
195.13792	11.9
199.14793	1.1
213.14748	1.8
217.15880	1.1
251.16389	1.9
269.17480	56.3
353.24789	3.4
371.25742	3.9
376.57599	0.8
389.26740	2.3
438.16321	1.2
445.29504	13.1
463.30530	100.0
464.30811	4.1
481.31384	2.3
498.23535	1.4
498.37338	0.8
515.95947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.05507	8.1
57.03435	6.8
67.05502	39.4
68.13016	1.4
69.07079	13.3
71.04984	3.5
71.43193	1.6
77.38293	1.5
77.96607	1.4
79.05493	26.3
81.03418	2.7
81.07055	50.3
81.07503	3.5
83.04984	3.9
83.08605	10.6
85.02898	1.7
85.06557	2.9
91.05476	14.8
93.07042	38.0
95.04987	4.9
95.08599	18.6
97.02856	2.1
97.06543	5.7
97.10172	2.0
105.07016	10.8
107.08590	22.1
109.06528	2.5
109.10171	3.9
111.08066	3.8
117.07023	8.0
119.08583	7.3
121.10152	11.4
123.08063	2.2
123.11764	1.6
125.64943	1.7
129.06976	3.6
131.08588	10.6
133.10149	8.7
135.08035	1.8
135.11703	5.3
143.08560	2.9
143.86893	1.7
145.10120	3.7
149.13245	14.7
155.08533	1.9
157.10201	2.6
159.11702	8.0
160.99220	1.7
177.12810	4.3
185.49152	1.8
195.13795	7.9
206.37906	1.6
269.17453	46.2
353.24725	3.7
371.25821	4.1
389.26926	2.3
445.29520	18.2
453.78534	1.7
463.30533	100.0
464.30792	6.0
481.31409	4.3
499.26254	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	498.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.7
56.13591	0.8
57.07076	37.6
67.05526	0.9
69.07061	1.9
69.75985	2.9
71.08633	26.2
73.06560	6.1
81.07066	1.5
83.08630	2.8
85.10191	18.5
87.04472	4.8
89.06032	100.0
91.07601	0.8
95.08609	0.8
97.10172	3.6
99.11726	4.5
103.74531	0.8
107.07106	1.4
113.13258	1.3
117.09111	3.8
130.08630	2.3
130.20250	0.8
131.07076	0.9
132.68167	0.8
133.08606	50.1
135.10143	1.5
153.05438	1.2
155.17967	5.0
177.11223	18.8
195.12094	0.8
199.20602	3.8
221.11916	0.7
221.13947	4.3
239.14922	2.0
243.23232	10.1
283.17487	3.4
287.25870	5.8
327.20096	13.1
393.32108	1.5
437.34854	1.3
481.37369	20.6
498.36203	19.4
499.34479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.7
51.02370	0.7
52.78484	0.7
57.03412	0.7
57.65924	0.6
67.69804	0.5
68.33899	0.6
69.03419	1.8
69.75589	2.2
79.01846	6.5
79.05473	0.9
84.43672	0.6
85.02909	4.3
95.04995	0.8
97.02888	1.6
97.55119	0.6
103.03939	1.1
107.01315	1.9
115.03925	0.6
123.04416	0.6
125.02338	3.1
127.03938	0.7
131.04944	0.8
133.02879	0.7
138.03140	1.3
143.03404	7.4
149.02374	1.0
150.03136	2.6
151.03938	0.9
153.01828	100.0
153.02921	7.2
159.04433	1.2
165.05446	0.6
166.02583	1.5
171.02872	1.3
175.03815	1.3
177.01791	3.8
177.05333	0.7
179.03404	1.0
180.00569	1.2
181.04958	18.2
185.04240	0.6
187.03934	1.7
191.03426	2.2
193.04848	0.9
194.02101	3.0
194.03645	0.6
195.02887	8.8
197.04491	1.6
199.03906	0.8
203.05241	1.1
204.04118	0.7
205.04964	2.1
209.04446	43.0
210.04726	0.6
214.30251	0.6
215.03458	0.8
219.06464	1.1
221.04558	1.8
223.06238	0.7
225.03911	0.7
227.05547	1.3
233.04561	1.5
237.04076	0.9
247.06065	2.4
251.05571	3.1
255.05008	5.7
259.07715	0.9
263.05557	1.5
275.05481	4.6
293.06509	4.2
295.04987	1.7
313.05911	1.0
347.09467	9.6
439.09238	1.4
481.09793	1.7
499.14185	89.0
500.14554	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	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60303	0.9
58.99864	0.9
69.24131	1.0
69.42902	4.1
82.99856	2.4
85.01420	2.1
94.99884	2.0
97.02847	1.4
98.22756	2.3
101.00878	19.6
102.05952	1.0
103.02417	5.3
109.02929	1.1
113.00864	7.6
119.01923	21.0
127.02406	16.2
129.00378	1.7
131.01901	15.4
139.02411	4.2
143.01891	25.9
143.02971	1.6
145.03459	44.2
146.03554	1.3
147.01378	3.5
155.01898	33.4
157.03453	19.4
159.05003	1.4
161.02960	21.5
163.04529	3.3
164.62709	1.0
167.01907	15.4
169.03485	5.2
171.01364	8.9
171.05090	2.6
173.02963	42.9
174.03152	1.2
175.04501	3.1
179.01886	6.2
181.03510	1.8
183.01402	2.1
185.02951	52.3
186.03065	2.1
187.02957	1.0
187.04436	5.2
189.02420	9.7
191.03999	1.6
197.02924	16.8
198.03064	1.2
199.00893	6.6
199.04559	3.9
201.02477	2.1
202.89107	1.2
203.03995	12.3
209.03012	5.0
211.00975	1.2
213.02473	1.5
215.03955	12.0
217.01935	64.4
218.02078	1.3
221.05043	5.7
227.04001	11.4
229.01935	10.9
229.05542	1.7
235.02948	15.9
236.03360	1.3
239.04034	2.4
245.05069	100.0
246.05214	4.9
247.02997	13.5
257.05069	14.0
258.04803	1.3
259.02991	1.2
263.06119	10.1
265.03998	1.7
275.06097	12.5
276.05942	1.2
277.04062	23.1
277.07007	1.3
293.07166	4.3
301.04004	12.0
305.07162	9.4
319.05078	27.4
319.08749	1.6
335.08249	4.4
337.06110	34.7
338.06503	2.0
347.07794	1.3
365.09320	13.4
383.10135	1.3
481.10587	1.3
499.11383	44.2
500.11841	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	499.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31921	1.3
54.61290	1.2
55.68785	1.3
56.96557	1.3
57.03425	1.8
65.20728	1.1
69.03429	6.7
71.04990	4.0
71.45330	1.2
81.07046	2.2
85.02916	6.0
87.04453	2.9
97.02883	5.2
97.06533	2.8
98.97591	1.9
109.01422	1.2
109.10138	1.6
111.08064	1.6
115.03907	4.3
119.08630	1.3
123.11773	1.8
127.03898	1.5
133.04927	5.7
133.10045	1.3
137.05905	1.8
151.11221	3.2
153.01845	8.5
154.02184	1.5
169.12259	7.1
170.12601	3.2
191.01060	13.0
195.02924	1.6
219.48024	1.4
264.05789	2.7
271.94748	1.3
281.59952	1.3
296.10938	1.2
314.11893	1.5
347.07098	7.0
433.07404	1.5
456.21649	1.9
498.26459	1.6
499.12332	100.0
500.12534	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63449	2.0
56.96558	3.9
67.05499	3.6
69.53715	8.6
81.07054	4.9
85.02911	2.9
85.19435	2.1
91.05479	3.0
92.25914	2.4
93.07030	2.4
95.08593	3.0
98.97586	14.0
99.13255	2.2
107.08604	4.4
116.98603	7.6
127.03963	2.3
130.99832	1.9
134.99648	5.0
137.06099	2.3
145.10136	2.8
158.99634	2.8
177.00700	6.2
215.14397	2.7
219.01732	4.7
223.10074	4.8
251.12521	6.5
263.13055	3.0
265.11206	4.5
269.17426	2.6
319.07925	2.6
351.11920	3.6
395.10840	3.3
439.19821	5.0
455.12961	16.0
455.19025	7.8
457.21124	4.3
499.11948	100.0
499.18082	10.7
499.23917	5.8
500.12161	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98307	1.5
53.21269	1.4
53.30129	1.4
56.96565	3.8
67.05494	2.1
71.43309	1.7
77.45605	1.5
81.07058	3.6
91.05505	2.3
93.07030	4.2
95.08556	1.9
97.02958	1.7
98.97573	11.6
103.76723	1.4
105.07027	2.7
107.08611	2.1
109.10189	1.7
116.98627	5.0
119.08600	2.0
127.03960	1.7
131.08612	2.0
134.99712	2.1
137.05989	2.9
139.03929	2.9
145.02873	1.8
145.10220	1.6
154.29776	1.8
155.08638	2.5
158.99707	2.2
177.00757	5.1
177.05418	1.7
215.14262	1.9
219.01807	2.6
223.10060	4.8
237.02840	1.8
244.16006	1.6
247.10374	1.7
263.13257	2.4
265.11087	2.6
279.04108	1.7
325.13217	2.2
331.01727	1.6
351.12079	3.0
395.11127	3.5
439.19250	2.8
455.13211	15.2
455.18781	3.4
456.72174	1.9
489.33923	1.6
499.12097	100.0
499.18103	4.6
499.23590	5.2
500.12360	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	499.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.00331	0.5
69.03420	1.9
69.89201	1.7
73.83964	0.5
74.63250	0.4
79.01859	4.9
79.05481	0.9
84.63045	0.4
85.02905	4.9
97.02902	2.4
98.41389	0.5
103.03930	1.2
107.01315	0.9
108.32447	0.5
121.02834	0.5
125.02361	3.4
125.06020	0.5
127.03949	0.9
127.17673	0.5
131.05009	0.7
133.02850	0.8
142.28818	0.5
143.03389	7.9
149.02354	0.8
150.03111	1.9
151.03928	1.0
153.01826	100.0
153.02911	6.1
154.02144	2.0
159.04449	1.1
165.05492	0.8
166.02644	1.2
171.02870	0.8
175.03757	1.4
176.04582	0.7
177.01811	4.2
177.05521	0.9
179.03410	1.2
180.00551	1.3
181.04950	16.0
184.47551	0.5
185.04195	0.6
187.03868	1.4
191.03375	2.7
193.04909	0.8
194.02119	3.8
195.02872	8.5
197.04489	2.6
203.03407	0.5
203.05244	0.9
205.04955	2.1
207.06743	0.6
209.04449	40.4
210.04692	1.0
211.02431	0.7
213.03726	0.6
216.04463	0.5
219.06514	1.1
221.04500	1.7
223.06177	0.6
225.03987	0.9
227.05589	1.4
233.04428	2.4
237.04037	0.8
243.03029	0.5
247.06017	2.3
251.05530	3.2
255.04968	5.8
257.04462	0.8
259.07874	1.5
263.05582	1.5
275.05438	5.2
293.06525	4.1
313.05960	0.9
347.09451	10.9
439.09082	1.4
463.08768	0.6
481.09528	1.4
499.14175	83.7
500.14697	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1421
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
58.17571	0.4
61.18166	0.3
69.03429	0.9
69.62824	1.4
70.49651	0.4
81.03429	0.4
85.02924	0.7
86.43604	0.3
109.02782	0.4
153.01886	0.6
159.67209	0.3
175.03647	0.7
185.04135	0.4
203.05287	1.8
259.07925	1.5
292.96832	0.4
337.08978	0.9
347.09506	13.2
499.14203	100.0
500.14529	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	499.2153
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
67.56789	0.3
71.04969	0.3
131.31923	0.4
185.04222	1.3
191.10437	0.8
331.09988	31.3
332.10260	0.7
355.98099	0.4
452.05835	0.4
499.21487	100.0
500.21863	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	499.2153
Annotation	Conivaptan
Peak:m/z	Relative Intensity
53.24414	0.3
55.05529	0.6
62.79981	0.4
67.05508	0.9
69.03432	0.9
69.69218	1.5
69.69553	0.4
79.05500	0.4
81.03413	0.7
81.07061	1.7
85.02905	1.1
88.63789	0.4
91.05505	0.5
92.47049	0.4
93.07053	1.2
95.04955	0.7
95.08633	1.2
96.15015	0.4
97.02911	0.8
97.10241	0.4
97.58610	0.4
105.07028	0.7
107.08627	0.6
109.02882	0.6
109.06454	0.5
109.10152	0.4
119.08600	0.9
123.11749	0.4
125.09548	0.5
127.03903	0.5
133.10139	0.6
134.39198	0.4
135.11719	0.5
137.09622	0.4
139.03922	0.4
145.05023	0.5
159.11729	0.7
161.03156	0.4
181.05008	0.7
181.15858	0.5
182.05318	0.4
185.04306	0.5
189.24240	0.4
221.15167	3.8
227.05278	1.1
233.15213	0.7
245.06404	1.3
251.16235	2.9
263.16238	0.5
269.17657	0.7
270.17865	1.4
271.04309	1.0
289.05191	0.5
301.16687	0.5
302.16983	1.2
365.19412	1.3
383.20404	9.8
407.20282	1.8
413.21371	1.9
414.30341	0.5
425.21445	22.8
426.21848	0.8
437.21680	0.5
455.22491	6.9
459.00729	0.4
469.20502	18.7
470.21014	0.8
499.21512	100.0
500.21780	4.3
505.50351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36154	0.4
55.01889	0.4
55.05512	0.5
59.60385	0.4
67.05502	0.9
69.03429	1.2
69.07063	0.7
71.05003	0.7
71.42638	0.6
71.78962	0.4
74.53172	0.4
79.05497	0.7
81.03413	0.6
81.07064	2.4
83.04996	0.5
85.02911	1.6
85.25554	0.4
91.05478	0.7
93.07047	1.2
95.04974	1.2
95.08614	1.3
97.02868	0.6
97.06552	0.5
105.07066	0.5
107.08620	0.7
109.10173	0.9
119.08575	0.5
125.09664	0.6
127.03894	0.5
133.10144	1.1
135.08084	0.5
135.11658	0.6
139.03883	0.7
145.10150	0.6
147.11679	0.5
160.34178	0.4
163.07553	0.4
164.42467	0.4
169.23860	0.5
192.86055	0.5
216.16815	0.5
221.15135	4.2
227.05283	0.6
227.12784	0.6
228.13226	0.4
230.09543	0.5
233.15347	0.7
245.06361	0.7
249.14626	0.6
251.16138	3.1
267.16037	0.5
269.17529	0.7
270.17926	0.9
289.05341	0.7
301.16339	0.6
302.16879	1.7
365.19507	1.0
383.20383	9.5
383.25159	0.8
406.22888	0.5
407.20496	1.8
413.21533	1.3
425.21469	20.0
426.21994	1.0
455.22543	6.1
469.20422	20.0
470.20584	1.0
499.21509	100.0
500.21890	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	499.2153
Annotation	Conivaptan
Peak:m/z	Relative Intensity
52.24554	0.5
55.01855	0.5
55.05503	0.6
57.03449	0.7
61.98734	0.4
62.18635	0.4
67.05482	1.2
69.03434	0.7
69.07057	0.5
69.91338	1.1
71.05000	3.8
72.08164	0.5
73.02950	0.4
75.04481	0.5
79.05515	1.2
81.03441	0.8
81.07059	10.3
81.07510	0.8
82.07388	2.2
83.04990	1.0
85.02912	6.5
86.03240	1.0
86.09691	0.8
93.07050	0.6
95.08593	3.8
96.08953	1.2
97.06600	0.5
102.46863	0.5
104.10690	0.4
105.07066	0.8
107.04946	0.5
109.06496	0.4
109.10217	0.6
111.04449	0.7
114.84460	0.5
119.08568	0.6
125.00026	0.6
129.05511	2.3
130.05797	0.9
133.10167	0.4
137.13272	4.0
138.13606	2.2
139.03929	1.1
145.02859	0.8
145.04979	0.8
147.06557	1.9
153.05528	0.5
163.07591	0.4
167.07077	0.7
170.42441	0.4
177.05525	1.0
181.04990	2.2
184.07281	2.3
191.03383	0.5
191.75835	0.6
203.05289	1.5
209.04477	1.3
211.10831	0.6
215.07274	0.5
227.05289	1.0
233.15186	2.0
234.15979	0.5
239.61069	0.4
245.06371	4.3
251.16220	3.2
272.09460	0.5
284.15695	1.0
289.05258	6.6
289.58987	0.4
289.94641	0.4
377.20157	0.5
395.20477	1.2
413.21454	10.7
437.21487	1.6
455.22559	20.9
456.22647	0.8
481.20389	1.2
499.21481	100.0
500.21909	3.5
521.59991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3032
Annotation	Ardisiaquinone F
Peak:m/z	Relative Intensity
56.20963	0.4
67.05513	0.5
68.66710	0.4
69.83545	1.4
82.49815	0.4
83.01099	0.9
91.05508	0.5
93.07056	0.9
95.08656	0.6
98.23363	0.6
104.99262	0.9
105.07093	0.8
107.08611	1.1
121.10083	0.6
123.08106	0.5
131.08511	0.5
139.07321	0.7
143.08534	0.7
145.10191	0.6
155.08617	0.5
157.10184	0.6
167.08559	1.1
181.10204	1.1
220.70874	0.5
228.23085	0.5
241.72760	0.5
276.27185	0.5
302.87048	0.5
323.19891	1.3
383.21899	5.5
439.17587	1.5
439.28052	3.8
457.18726	0.9
496.32422	0.5
499.30316	100.0
500.30701	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	499.3058
Annotation	Cucurbitacin S
Peak:m/z	Relative Intensity
53.03935	0.9
55.01870	1.0
55.05514	4.2
57.07067	0.9
65.03942	2.9
66.04725	0.5
67.01866	1.0
67.05500	7.7
68.00188	0.5
68.99772	1.4
69.03421	1.5
69.07076	3.8
77.03918	1.2
79.05490	6.9
81.07056	8.4
82.04169	0.9
83.01305	0.6
83.08601	2.1
91.05477	4.3
93.03384	0.6
93.07037	3.2
94.04183	0.7
95.04968	5.3
95.08614	5.5
97.06529	4.0
97.10157	0.6
103.05460	1.8
105.00191	0.4
105.03395	1.0
105.04509	1.0
105.07033	2.7
107.04941	7.5
107.08576	1.1
109.02799	0.5
109.06486	2.7
109.10151	2.0
110.03664	1.6
111.04440	4.6
115.05460	1.2
117.07014	2.1
119.04983	0.6
119.08575	1.1
121.06505	6.4
121.10165	1.2
123.04417	11.2
123.08078	0.8
124.05193	0.7
125.05987	70.5
126.06285	1.1
129.06992	0.6
131.04890	1.0
131.08521	0.9
133.06483	2.2
135.04399	0.8
135.08022	3.2
137.05972	74.2
138.06358	0.9
139.03893	8.4
139.07533	4.7
140.04698	0.6
141.05446	1.2
144.05704	0.6
145.06479	1.8
146.07210	0.6
147.04440	1.4
147.08047	2.0
148.05212	0.6
149.05971	6.0
149.09615	2.4
151.03880	1.8
151.05014	1.0
151.07542	13.4
152.04707	1.7
153.05461	100.0
153.09059	1.4
154.05872	2.0
155.07071	0.6
160.05211	1.7
161.05981	3.3
161.09599	1.1
162.06699	1.6
162.62309	0.5
163.07533	33.0
164.07877	0.5
165.05428	1.3
165.09138	1.3
166.06232	0.5
167.07031	7.9
173.05959	0.5
174.06747	0.5
175.07556	7.8
176.08249	1.2
177.05531	3.4
177.09099	26.9
179.07042	3.9
181.06641	0.5
181.08562	0.7
187.07582	2.0
189.09097	4.1
191.07011	1.6
191.10664	4.3
193.08620	2.5
201.09164	0.9
203.10661	5.4
203.18030	0.7
205.08859	0.5
205.12245	2.2
207.10143	1.9
213.09132	0.5
215.10670	1.0
217.12204	3.5
219.13803	0.5
227.06979	0.8
227.10504	0.5
229.08614	0.5
229.12309	0.9
231.13789	1.2
237.09320	0.6
241.08586	3.0
243.06549	1.6
245.15302	0.6
253.08635	1.1
255.06735	0.5
255.10190	0.8
257.08228	2.8
258.08817	0.7
259.06046	1.3
259.09656	1.3
267.10208	0.5
269.08151	0.9
271.07007	0.5
271.09735	2.1
273.07556	1.3
274.08493	0.7
283.09784	0.7
285.07568	0.6
285.10950	0.5
287.09195	1.6
299.09216	0.7
301.22009	0.8
309.11310	0.5
311.12839	0.4
315.23196	0.7
329.24722	4.2
341.24640	2.9
343.22638	1.7
347.25836	3.7
357.24255	1.0
359.25946	1.7
361.23837	1.7
375.25378	2.7
421.27316	1.9
431.25851	1.8
439.28540	0.9
441.71228	0.5
449.26801	4.0
450.27490	0.5
453.30093	2.0
463.28336	8.7
467.28009	7.3
468.28766	1.2
481.29483	36.5
482.29916	1.9
499.30536	25.3
500.31110	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	499.3055
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
51.87834	1.8
54.26239	1.8
55.05489	2.1
55.92434	1.6
60.56716	1.9
63.67732	1.8
64.46165	1.8
65.03947	2.4
67.05493	6.1
69.07068	3.8
71.44691	2.4
79.05489	2.8
80.74245	2.0
81.07042	7.9
91.05458	3.5
93.07027	2.8
95.04990	3.0
95.08587	6.4
97.06535	4.8
107.04948	2.3
109.10171	3.2
115.50173	2.1
121.06482	4.1
123.04414	7.4
125.05983	61.3
129.07069	2.5
133.06500	7.6
137.05968	18.4
139.03952	3.1
139.07533	4.7
139.53912	2.1
146.63521	2.2
147.08037	6.7
149.05920	3.0
151.07570	7.2
153.05460	100.0
154.05791	2.7
160.05287	2.0
161.05983	7.5
163.07500	10.4
165.09138	2.5
167.07030	8.3
175.07545	7.4
177.09064	10.1
179.07014	22.2
189.09186	3.2
193.08595	37.2
196.84843	2.1
196.86650	1.9
201.09129	2.9
203.10625	2.6
207.10132	4.8
276.35709	2.5
329.81735	2.5
363.45111	2.5
467.27893	7.3
481.29333	8.5
499.30057	11.4
499.37711	4.4
500.46451	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	499.3057
Annotation	Ardisiaquinone F
Peak:m/z	Relative Intensity
51.46133	1.2
55.05499	4.0
64.68206	1.3
67.05498	5.8
69.07064	3.2
69.25362	7.3
79.05492	5.1
81.07045	7.3
91.05473	10.1
93.07035	2.3
95.04967	4.4
95.08621	3.5
98.22729	3.0
103.05486	3.5
105.07040	9.4
107.04965	2.9
107.08636	3.3
109.06540	1.7
111.04404	1.7
115.05422	2.4
117.07035	4.3
119.04985	1.5
119.08550	1.9
120.05733	2.2
121.06499	15.7
123.04444	4.4
125.05996	6.2
125.06843	1.5
126.54649	1.4
128.06285	1.4
129.06961	1.7
131.04930	1.7
133.06516	1.9
135.08052	24.7
136.08479	1.3
137.05969	9.1
138.06763	2.3
139.03928	4.2
139.07549	4.3
141.05472	4.1
145.06471	3.3
146.07271	4.0
147.04491	2.2
147.08043	5.4
149.06085	1.5
149.07228	1.5
149.09641	2.9
151.07520	23.1
152.04721	1.4
153.05453	10.4
153.09090	7.1
158.07353	1.6
159.08087	2.8
160.08864	3.3
161.05988	4.8
161.09621	2.3
162.06798	5.6
163.07549	3.8
163.08708	1.5
165.05421	2.0
165.07706	3.4
165.09114	71.4
166.06302	2.2
166.09436	1.7
167.03403	3.8
167.07030	7.8
168.04175	43.3
169.05000	7.6
174.06728	2.5
175.07576	5.9
176.08344	7.1
176.81122	1.3
177.09105	100.0
178.09445	1.6
179.07047	1.7
179.10669	5.7
179.99017	1.3
182.05695	1.4
183.06589	4.2
187.07574	2.1
188.08321	1.7
189.09114	8.9
190.09875	2.7
191.07063	2.0
191.10670	29.0
193.08615	2.8
201.09068	3.2
203.10640	8.5
205.12291	5.1
207.10121	11.7
217.12282	2.1
231.13847	1.6
241.08553	2.2
255.10251	1.9
271.09583	1.6
271.96854	1.3
279.37119	1.4
287.09366	2.0
300.74368	1.5
301.10776	1.7
439.28677	2.3
449.26740	2.6
450.27695	1.8
453.30109	2.3
467.28036	26.5
468.28772	3.1
481.29877	8.4
499.30643	70.0
500.30844	3.7
518.25171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3396
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
50.77562	0.9
53.51697	0.8
60.34627	0.7
69.07954	4.9
74.84271	0.7
81.09954	0.7
86.56111	0.7
93.07036	0.7
95.08575	1.9
98.22717	1.6
105.06968	1.0
107.08556	1.1
108.05421	0.7
108.53852	0.7
109.10105	1.1
119.08562	1.2
121.10126	1.9
133.10115	0.9
134.60747	0.7
137.06029	1.1
143.05284	0.8
144.26233	0.8
173.13278	0.8
196.92883	0.8
215.61545	0.8
255.06488	0.8
278.13583	0.8
499.33627	100.0
500.34329	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3398
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
58.14521	0.4
58.75709	0.4
64.04467	0.4
69.12711	1.2
69.13136	1.9
75.11422	0.4
92.53288	0.4
98.22770	0.9
98.75426	0.4
105.07001	0.5
105.09213	0.4
118.73029	0.4
121.29884	0.4
122.27516	0.4
126.45516	0.4
137.06041	0.5
146.43449	0.3
268.37311	0.4
272.53534	0.4
279.71454	0.4
499.33936	100.0
500.34116	3.0
509.12494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
65.03925	1.0
67.01873	0.7
67.05499	2.5
69.07050	1.0
70.32391	1.5
79.05492	4.0
81.07048	4.0
83.01378	1.4
91.05461	5.0
93.07053	2.3
94.78601	0.9
95.04971	1.7
95.08588	1.5
96.05738	1.1
98.22896	1.6
105.07011	1.6
107.04932	2.5
109.06511	3.2
111.08079	2.2
117.06991	1.0
119.04909	1.1
121.06514	2.9
123.08082	1.4
124.05203	6.6
125.05999	5.4
135.08047	4.3
137.05972	48.1
139.07536	62.7
139.97505	0.8
145.06506	1.3
151.07539	19.7
153.05472	12.2
155.07033	0.9
159.08035	1.0
161.05969	1.1
163.07533	11.8
165.06607	0.8
165.09125	1.2
167.07033	100.0
168.07385	1.5
170.41420	0.9
175.07532	1.2
177.09099	13.8
181.08615	1.5
191.10612	4.3
193.08595	1.0
249.18394	1.0
263.88287	0.9
331.32657	0.9
341.91495	0.8
342.05664	0.8
345.27939	1.2
467.31570	14.9
481.32986	3.6
499.34384	9.4
512.13727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3421
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
53.03688	0.4
55.01868	0.4
55.05296	0.3
55.05512	3.5
56.53909	0.3
57.07063	1.2
57.36826	0.4
61.57328	0.3
65.03936	0.7
67.05219	0.3
67.05505	3.4
69.06773	0.3
69.07076	4.2
71.08640	0.4
71.45864	0.3
73.69510	0.3
77.03906	0.8
79.05506	3.1
81.07052	4.7
83.01333	0.9
83.08615	2.0
91.05478	5.3
93.07066	2.1
94.04177	0.4
94.90041	0.4
95.04964	1.5
95.08633	2.7
97.06563	0.4
97.10149	1.2
105.04529	0.5
105.07006	0.6
107.04952	4.8
107.08593	1.1
109.06506	2.2
109.10164	0.9
111.08080	0.5
117.06973	0.4
119.04906	0.8
119.08636	0.4
121.06503	9.3
121.10109	0.4
123.04427	0.7
123.08068	1.4
123.11676	0.5
124.05203	4.9
125.06005	2.6
129.06972	0.7
133.06505	0.5
135.08067	3.7
135.11716	0.9
137.05975	81.2
138.06349	1.1
139.07538	25.8
145.06459	0.5
147.08044	1.2
149.06009	0.8
149.09628	0.9
151.07542	56.8
152.07890	0.6
153.05472	1.1
153.09087	0.7
159.08035	0.5
160.05161	0.4
161.05974	1.3
161.09561	0.6
163.07544	10.4
165.09033	1.5
167.07031	4.9
175.07530	4.0
177.09103	5.7
189.09091	1.4
191.10716	2.4
193.08670	0.8
201.14909	0.3
203.10583	2.0
205.12407	0.5
217.12263	0.7
218.32474	0.4
239.63130	0.4
310.53046	0.4
343.26291	0.8
361.27271	2.7
481.33310	1.7
499.34180	100.0
500.27054	0.6
500.34283	4.0
510.43527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.342
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
51.64701	0.4
55.05508	2.6
57.07060	0.7
58.56451	0.5
58.70026	0.4
67.05505	2.9
69.07067	2.9
69.27647	1.8
75.30405	0.4
79.05482	2.6
81.07055	4.3
83.01314	0.8
83.08610	1.2
91.05473	4.8
93.07032	2.4
95.04978	0.9
95.08603	2.9
97.06543	0.6
97.10155	0.5
98.23057	2.0
105.07011	0.7
107.04978	2.0
107.08604	0.8
108.05748	0.5
109.06516	2.5
109.10165	0.8
117.07008	1.1
119.08566	0.5
121.06496	8.6
121.10157	0.5
123.04411	0.5
123.08065	0.8
123.11713	0.5
125.05975	5.9
133.06372	0.4
135.08051	8.3
136.05188	1.0
137.05968	69.0
138.06657	0.8
139.07520	5.2
145.06512	1.3
147.08031	1.0
149.09677	0.6
151.07533	41.7
153.09100	8.0
159.08003	0.8
161.05972	0.5
161.09691	0.5
162.06769	0.5
163.07497	2.7
165.05453	0.5
165.09090	1.4
167.07011	1.4
175.07487	1.3
175.11258	0.7
177.09111	8.5
181.08583	0.7
186.39822	0.5
189.09102	0.9
191.10651	3.8
203.10678	0.7
205.12236	0.6
217.12325	0.5
260.24942	0.5
284.43478	0.4
291.23071	0.7
329.24670	0.7
347.25793	2.0
357.28058	0.5
359.25900	0.7
384.45541	0.5
481.33438	2.2
499.34167	100.0
500.34518	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	500.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
57.03425	0.5
57.07059	0.5
61.78605	0.4
65.03928	1.8
67.05502	1.8
67.46881	0.4
69.03422	1.8
75.55198	0.4
79.05514	0.6
81.03416	4.3
82.04188	1.5
85.02891	1.9
91.66416	0.5
93.03385	0.9
95.04984	2.3
97.02885	2.0
97.06564	0.5
99.04469	0.7
105.07040	0.5
109.02867	1.3
110.03655	1.4
111.04420	0.9
123.04434	1.1
125.05988	2.8
127.03916	1.1
137.02351	0.7
137.05952	0.7
138.03127	3.1
139.03909	0.8
140.04665	4.8
145.05005	0.5
153.05406	0.6
155.06981	2.3
166.02625	1.0
171.06526	8.4
179.11906	0.5
181.04951	100.0
182.05307	1.3
197.12888	0.9
199.06012	9.6
209.04395	0.5
219.13647	0.4
231.06525	0.7
250.88686	0.4
290.10852	0.8
302.10986	0.6
325.09204	5.9
343.10153	6.8
344.11948	0.8
356.12048	0.5
362.13934	0.5
368.14297	0.5
398.70865	0.5
404.14597	1.0
416.14426	0.5
422.15018	1.1
446.15219	0.9
500.25479	1.1
501.09833	1.0
501.22501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
57.03426	0.4
65.03944	3.3
67.05493	1.2
68.74866	0.4
69.03434	2.4
71.05003	0.4
72.08147	0.4
72.32190	0.4
73.09058	0.4
78.67965	0.4
81.03416	4.5
82.04209	1.0
85.02919	4.0
91.05482	0.4
93.03392	1.4
95.04980	1.9
97.02881	1.3
97.06516	1.2
99.04428	0.6
100.11269	1.1
108.02126	0.4
109.02872	1.4
110.03668	1.4
111.04439	1.3
117.03384	0.3
123.04432	1.1
125.05981	0.9
127.03896	0.8
138.03114	1.5
140.04680	6.1
142.02637	0.7
145.02780	0.5
146.03131	0.5
151.03885	1.8
153.05466	3.7
155.07039	3.1
171.06541	3.2
177.05486	1.1
178.05766	0.5
181.04956	100.0
182.05296	1.8
184.07356	1.5
199.06021	7.0
210.14836	0.4
231.06287	0.5
235.11563	0.4
283.08014	0.5
325.09180	6.1
343.10233	6.2
372.07516	0.4
396.86066	0.4
407.41031	0.4
440.07333	0.5
440.21841	1.4
454.34592	1.7
455.34778	0.9
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
51.60874	1.8
53.03941	2.9
57.03438	2.2
59.04957	1.9
59.35493	2.0
67.05471	1.9
69.03428	18.2
69.49461	5.0
69.49849	3.6
71.04987	3.2
72.79607	2.1
75.04485	3.8
79.05486	14.6
81.03417	10.2
81.07040	3.9
83.04986	2.3
85.02888	10.1
91.05486	11.9
93.06449	3.7
93.07043	72.7
95.04985	6.6
97.02890	7.8
98.23521	2.1
99.04463	5.1
105.01861	2.0
105.07018	13.7
107.08590	11.7
109.02876	5.1
111.04415	2.7
111.08129	2.8
119.08578	25.0
121.06530	2.8
121.10145	100.0
123.08090	3.3
127.03928	8.2
129.05473	2.6
129.06990	2.2
131.08539	8.3
132.19339	1.8
132.49538	2.0
137.02362	5.2
137.05933	2.1
139.03879	2.9
143.08501	3.4
145.04997	4.6
147.08063	2.2
149.09612	51.0
151.03914	2.9
153.05382	2.6
154.13795	2.3
157.10120	3.7
167.10657	20.2
171.13873	2.1
191.03400	3.0
199.14835	8.4
217.15860	8.9
220.23628	2.1
293.13773	13.5
311.14877	19.1
314.09964	2.0
429.82764	2.2
439.02103	1.9
500.14224	5.3
500.21899	3.1
501.17242	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	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60874	1.8
53.03941	2.9
57.03438	2.2
59.04957	1.9
59.35493	2.0
67.05471	1.9
69.03428	18.2
69.49461	5.0
69.49849	3.6
71.04987	3.2
72.79607	2.1
75.04485	3.8
79.05486	14.6
81.03417	10.2
81.07040	3.9
83.04986	2.3
85.02888	10.1
91.05486	11.9
93.06449	3.7
93.07043	72.7
95.04985	6.6
97.02890	7.8
98.23521	2.1
99.04463	5.1
105.01861	2.0
105.07018	13.7
107.08590	11.7
109.02876	5.1
111.04415	2.7
111.08129	2.8
119.08578	25.0
121.06530	2.8
121.10145	100.0
123.08090	3.3
127.03928	8.2
129.05473	2.6
129.06990	2.2
131.08539	8.3
132.19339	1.8
132.49538	2.0
137.02362	5.2
137.05933	2.1
139.03879	2.9
143.08501	3.4
145.04997	4.6
147.08063	2.2
149.09612	51.0
151.03914	2.9
153.05382	2.6
154.13795	2.3
157.10120	3.7
167.10657	20.2
171.13873	2.1
191.03400	3.0
199.14835	8.4
217.15860	8.9
220.23628	2.1
293.13773	13.5
311.14877	19.1
314.09964	2.0
429.82764	2.2
439.02103	1.9
500.14224	5.3
500.21899	3.1
501.17242	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	500.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01867	1.3
55.05511	3.9
57.03429	4.4
60.41732	1.1
61.02921	2.5
61.66962	1.1
67.05502	7.9
69.03431	3.5
69.07085	2.0
69.11824	0.9
69.90211	3.6
71.04977	2.3
79.05509	7.7
81.03420	82.9
81.07052	8.5
83.04994	5.6
83.08619	22.0
85.02908	4.2
91.05491	9.0
93.07064	5.4
95.04972	22.0
95.08607	1.9
97.02882	4.0
98.23445	1.1
105.07037	7.0
107.04950	6.1
107.08604	3.5
109.02888	1.7
109.06519	1.8
109.10119	1.9
111.04426	3.0
111.08066	11.1
115.05433	1.5
119.05001	1.0
119.08593	8.6
121.06513	2.4
121.10120	3.5
123.04455	1.6
123.23574	1.0
127.03889	2.1
129.07022	7.3
131.08588	6.3
133.06509	1.6
133.10126	3.5
137.02347	6.9
137.03291	1.5
137.06024	1.6
137.09618	1.1
139.03923	2.6
142.07770	1.7
147.08041	3.1
147.11647	7.6
149.09625	5.1
152.14381	1.9
152.39243	1.0
153.01859	8.3
154.02158	1.0
157.10144	10.8
163.11145	1.4
165.12727	2.0
175.11198	13.0
181.04993	1.5
193.12241	74.0
205.04895	1.2
209.04431	3.9
211.13338	6.8
214.13661	1.0
235.13155	1.6
236.49133	1.1
267.15921	50.8
268.16293	1.5
285.16977	100.0
286.17191	3.2
301.14468	1.2
303.13358	1.3
309.16846	8.8
321.14703	1.2
339.41507	1.1
351.17975	1.6
352.25766	1.2
363.18112	2.8
375.17917	1.6
393.18958	1.7
396.13327	1.1
429.21191	3.6
447.22348	2.3
456.17984	2.9
500.14352	2.7
500.20663	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86823	3.9
53.97667	4.1
55.05503	19.8
57.03441	7.6
57.07072	12.7
67.05499	7.3
69.07069	21.3
71.08639	5.3
74.09713	4.5
81.07058	6.9
82.07364	4.4
83.08624	20.5
85.02917	4.1
86.09737	5.3
93.07045	6.7
94.73728	4.1
95.08602	6.4
97.10188	21.3
98.98451	4.9
100.55521	3.8
121.10153	5.2
124.08473	4.1
300.29001	5.9
311.25790	100.0
500.37643	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	500.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20224	4.8
55.05512	9.0
57.03436	6.5
57.10323	4.9
61.02921	12.8
67.05524	29.1
69.03439	6.8
69.07070	13.0
73.02908	5.9
79.05505	21.1
81.07051	36.2
82.07388	7.4
83.08646	7.2
85.02909	12.6
91.03960	5.8
91.05495	11.2
93.07051	18.9
95.08625	13.9
97.02879	7.3
105.07098	7.7
107.05033	9.6
107.57060	5.4
110.19827	5.5
119.08610	10.4
119.53890	6.7
120.38551	5.3
123.04453	39.3
125.05993	40.0
131.08554	8.0
134.42342	5.4
137.06010	27.7
147.04361	12.1
148.05069	7.4
149.06017	16.0
150.64673	5.1
153.05472	44.3
160.05228	7.3
161.05978	49.7
163.07509	8.5
173.05922	31.7
173.09641	7.0
175.07573	16.1
187.07529	8.3
189.09087	78.9
201.09091	47.4
203.10730	41.9
213.09212	23.3
215.10645	29.9
227.10622	5.3
229.12340	26.6
284.10803	5.3
338.27542	13.6
433.23880	10.8
465.26300	100.0
496.84033	6.9
500.33493	9.1
523.67389	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	500.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32521	1.6
57.07079	47.5
65.60265	1.6
70.09090	3.9
77.03918	2.5
78.56253	1.7
81.07082	2.3
83.08638	1.8
87.04469	2.7
89.06033	46.5
91.05498	8.5
93.07050	17.1
94.08718	1.5
95.04987	3.8
103.05459	2.8
105.04523	2.7
107.08549	1.6
110.63340	1.5
119.04958	2.4
119.08560	2.5
121.06510	63.4
130.08618	2.0
133.08620	19.4
147.08067	4.8
149.03964	1.5
159.11713	1.8
165.09122	19.4
177.11189	3.8
177.12640	1.8
194.74077	1.5
209.11685	6.2
233.18985	3.3
277.21695	2.8
315.18024	100.0
316.18213	2.0
371.24316	18.6
427.30573	45.4
483.36606	4.2
500.39362	3.0
500.46335	2.4
511.04987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
57.07077	37.1
69.07053	0.9
71.08598	0.8
77.03912	0.9
79.05495	1.0
81.07040	1.4
83.08633	0.8
87.04457	2.5
88.07625	0.7
89.06033	51.2
91.05485	6.5
93.07047	12.6
95.05000	3.4
95.08595	1.5
103.05457	2.6
105.04548	1.0
105.07030	2.4
107.04938	1.3
107.08600	1.5
109.06528	1.6
109.10165	0.6
117.07034	0.9
119.04939	3.6
119.08624	3.3
121.06505	57.8
121.10207	0.8
122.06883	0.8
130.08638	1.3
131.08537	1.0
133.08603	27.9
133.76198	0.7
135.08099	2.7
137.06047	3.2
139.07545	3.2
147.08061	9.2
149.09630	2.1
151.07568	1.5
152.15868	0.7
159.11710	1.8
161.10760	1.2
163.11217	1.1
165.09106	15.9
167.07060	3.8
177.11209	5.6
177.12778	9.8
191.10696	1.0
191.14517	0.7
200.20148	1.2
203.14333	0.9
205.15816	0.9
209.11829	4.5
221.13524	1.1
221.15398	13.5
227.12822	2.9
265.17944	5.8
271.15427	1.4
283.26303	1.4
315.18018	34.7
327.22147	0.8
339.38550	0.8
371.24283	100.0
372.24588	3.1
427.30664	1.9
469.29562	0.8
483.36670	2.0
500.31293	1.2
500.39084	3.2
500.46710	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	501.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
62.47557	0.5
62.95889	0.5
67.05508	1.1
69.03423	1.3
71.05004	0.5
71.44133	0.5
72.47218	0.4
81.03413	0.9
81.07053	1.2
83.04970	0.7
84.64111	0.5
85.02911	1.9
87.00832	1.9
91.05486	0.8
93.07047	1.3
95.04980	0.6
95.08623	1.1
96.87947	0.5
97.02892	7.2
97.06521	0.7
98.03229	2.1
105.01857	1.4
105.07036	1.6
107.08595	1.2
109.06536	0.8
109.10177	0.9
119.08613	1.7
121.10160	0.9
127.04039	0.7
131.08562	0.6
133.10162	1.4
137.09601	0.5
145.10176	0.9
147.11674	0.6
159.11655	1.0
161.13144	0.7
167.03146	0.7
201.03976	1.6
201.16388	0.6
202.04288	1.5
217.15723	0.5
219.04904	0.7
223.15286	0.5
235.16884	2.0
245.06465	1.9
251.16147	0.6
253.17767	7.6
271.04251	0.6
281.17285	0.6
289.05313	1.3
290.03931	0.6
295.18839	1.2
346.08539	0.7
397.21878	1.2
415.23041	11.1
439.23340	2.4
457.24167	24.0
458.24225	1.0
483.21991	12.9
501.23105	100.0
502.23517	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	501.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
69.79777	0.7
81.07102	0.3
84.69985	0.3
85.02895	0.3
91.05410	0.3
95.08638	0.4
97.02953	0.3
98.23515	0.3
105.07076	0.4
107.08605	0.4
109.10149	0.3
119.08600	0.4
128.26892	0.3
131.08527	0.4
135.46249	0.3
139.03934	0.3
177.05423	0.3
181.04951	0.8
199.14928	0.3
235.16988	0.4
275.07327	0.5
317.08578	0.4
335.09390	1.5
339.20325	0.3
369.18875	1.1
501.23151	100.0
502.23465	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	501.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22606	0.3
57.03428	0.4
69.03432	0.3
72.72580	0.3
81.07076	0.5
85.02940	0.3
93.07074	0.4
95.08647	0.3
105.07057	0.6
109.02925	0.3
119.08598	0.4
123.08073	0.5
127.04024	0.3
132.17328	0.2
137.06053	0.7
139.03909	0.6
145.10133	0.4
177.05562	0.3
178.05876	0.6
181.05013	0.6
187.07780	0.3
203.03513	0.3
206.68373	0.3
217.15929	0.4
229.08791	0.5
235.16916	0.5
317.08530	0.3
335.09399	1.9
339.19739	0.3
369.18939	0.9
399.56409	0.3
434.00525	0.3
501.23169	100.0
502.23312	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	501.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
62.47557	0.5
62.95889	0.5
67.05508	1.1
69.03423	1.3
71.05004	0.5
71.44133	0.5
72.47218	0.4
81.03413	0.9
81.07053	1.2
83.04970	0.7
84.64111	0.5
85.02911	1.9
87.00832	1.9
91.05486	0.8
93.07047	1.3
95.04980	0.6
95.08623	1.1
96.87947	0.5
97.02892	7.2
97.06521	0.7
98.03229	2.1
105.01857	1.4
105.07036	1.6
107.08595	1.2
109.06536	0.8
109.10177	0.9
119.08613	1.7
121.10160	0.9
127.04039	0.7
131.08562	0.6
133.10162	1.4
137.09601	0.5
145.10176	0.9
147.11674	0.6
159.11655	1.0
161.13144	0.7
167.03146	0.7
201.03976	1.6
201.16388	0.6
202.04288	1.5
217.15723	0.5
219.04904	0.7
223.15286	0.5
235.16884	2.0
245.06465	1.9
251.16147	0.6
253.17767	7.6
271.04251	0.6
281.17285	0.6
289.05313	1.3
290.03931	0.6
295.18839	1.2
346.08539	0.7
397.21878	1.2
415.23041	11.1
439.23340	2.4
457.24167	24.0
458.24225	1.0
483.21991	12.9
501.23105	100.0
502.23517	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	501.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92654	0.5
54.71359	0.4
62.35630	0.5
64.53387	0.5
67.05511	1.0
69.84557	0.5
69.94718	1.3
78.93433	0.4
98.52979	0.5
135.08078	0.5
161.54999	0.5
175.11092	0.5
181.40205	0.5
186.54649	0.4
329.25107	0.6
403.28149	0.8
435.81998	0.5
445.25842	0.9
501.28299	100.0
502.28830	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	501.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
56.57832	0.6
57.07066	1.6
60.61910	0.6
67.05501	3.5
69.07048	1.1
69.16255	4.1
72.33418	0.6
79.05495	3.7
81.07061	3.8
88.07645	0.8
91.05478	4.1
93.07030	2.0
95.04944	2.5
95.08607	2.2
96.05740	1.1
99.00830	0.7
105.04529	0.7
105.07032	1.0
107.04948	2.3
107.08554	0.8
109.06519	3.0
111.08104	3.6
115.05456	0.6
117.07013	1.1
119.04865	0.9
119.08612	1.0
121.06515	4.2
123.04402	3.4
123.08047	0.7
124.05199	5.3
125.05946	3.5
131.08569	0.7
133.06499	1.0
135.08046	3.8
137.05966	10.5
138.06770	0.8
139.03908	3.6
139.07539	65.0
140.04678	1.3
141.05484	1.7
145.06500	1.5
147.04434	0.6
147.08026	1.3
149.04492	0.6
149.05931	1.0
149.09576	0.8
151.07539	15.7
152.04684	8.1
153.05463	7.5
153.09091	1.3
154.06213	1.0
155.03372	1.1
155.07010	1.8
159.08005	1.1
161.05963	2.0
163.07539	3.4
165.05476	2.1
165.09128	1.8
166.06233	1.5
167.07034	100.0
168.04153	1.5
168.07390	1.3
169.04980	4.9
175.07573	1.7
177.05478	1.6
177.09085	10.9
179.06998	1.2
181.08589	4.0
183.06596	0.8
189.09142	0.8
191.07016	0.8
191.10648	4.5
191.12148	0.6
193.08600	2.4
200.20125	0.7
207.10167	1.8
244.22763	1.2
283.26285	0.8
347.25674	0.8
451.24710	0.8
469.25580	3.2
469.29913	2.2
473.29239	1.0
483.26407	3.6
500.46585	2.0
501.27966	9.5
501.47079	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39880	0.7
53.03936	0.9
55.01853	0.8
55.05499	2.5
65.03928	1.5
67.05502	7.1
69.03416	0.9
69.07059	2.2
71.11541	0.9
79.05493	5.3
79.92657	0.6
81.03434	0.6
81.07065	5.2
83.01333	0.8
83.04968	0.8
83.08602	0.7
85.02908	0.8
91.05477	8.7
93.03425	0.6
93.07056	4.3
94.04208	0.8
95.04976	6.0
95.08598	3.1
96.05746	3.2
97.06524	1.1
97.10195	0.8
103.05441	1.3
105.04506	1.0
105.07014	3.0
107.04955	4.0
107.08569	1.3
108.05775	1.1
109.02868	0.9
109.06512	4.0
109.10168	1.1
110.03677	0.7
111.04458	1.6
111.08080	4.2
115.05431	1.4
117.07018	2.5
119.04907	1.1
119.08581	1.3
121.02870	1.2
121.06497	6.2
123.03524	1.0
123.04422	14.0
123.08047	2.1
123.11678	0.7
124.05212	8.3
125.05991	8.3
126.03096	1.8
131.08597	2.1
133.06494	1.3
133.10124	6.5
135.04419	0.7
135.08058	4.4
135.11662	0.8
137.05977	10.0
138.03082	0.9
138.06784	1.3
139.03908	19.1
139.07538	79.5
140.04669	2.9
140.07828	0.9
141.05463	5.1
145.06473	2.2
145.10104	0.8
147.04402	2.1
147.08041	2.1
149.05951	1.7
149.09619	2.8
151.03925	0.8
151.07541	30.6
152.04691	0.8
153.01831	0.8
153.05466	26.5
153.09091	3.1
155.07047	3.2
157.06459	0.9
159.08032	1.8
161.05963	2.9
161.09592	1.2
163.03897	1.6
163.07553	5.3
165.05426	1.6
165.09126	5.6
166.06212	0.6
167.03398	2.2
167.07040	100.0
167.53078	0.6
168.04189	8.7
168.07416	1.9
169.04953	13.0
171.08046	1.0
171.10202	1.0
175.07498	3.0
176.08267	0.7
177.05492	2.3
177.09109	9.3
179.07004	4.2
181.08575	4.8
183.06511	8.5
183.07947	0.9
187.07610	0.7
189.09085	1.9
189.11131	0.7
191.07033	8.9
191.10680	4.1
193.08595	6.3
197.09642	0.7
201.09145	1.1
203.07047	0.7
203.10599	1.0
205.08630	1.9
207.10164	1.7
215.10744	0.7
219.10214	0.7
227.10606	0.6
245.11682	0.9
247.13280	0.8
257.08026	0.7
289.21576	0.7
303.19650	0.6
331.22760	3.0
343.22729	1.7
419.22006	1.3
423.25320	1.5
433.23557	2.1
437.23083	1.0
441.26166	1.2
451.24802	10.5
455.27933	1.3
465.26324	3.2
469.25833	35.2
470.26196	1.0
473.29349	1.6
483.27399	20.3
484.27866	1.5
501.28424	7.5
501.36749	1.0
502.29001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
55.58590	1.0
57.07072	1.6
66.46905	0.8
67.05505	2.7
69.07066	1.9
70.34243	1.0
79.05479	2.9
79.26041	1.1
81.07059	2.7
83.04994	0.9
89.06045	1.4
91.05484	3.9
93.07033	1.4
93.43652	1.0
95.04963	2.2
95.08615	1.3
96.05752	1.6
105.07018	1.2
107.04961	2.1
108.05693	1.0
109.06524	1.9
111.08068	2.0
112.94672	1.0
115.05499	1.0
117.07004	1.5
121.06506	2.8
123.04437	1.0
123.08129	0.9
124.05219	4.1
125.06004	4.9
126.89312	0.8
133.06487	1.1
135.08000	4.8
137.05972	11.5
139.07539	48.7
140.04652	1.1
140.07832	1.1
145.06477	1.6
147.08005	1.8
149.09535	1.0
151.03902	1.1
151.07547	9.6
152.04643	2.6
153.05440	8.6
155.07025	2.4
158.74615	1.0
159.08057	0.9
163.07533	3.3
165.09129	2.8
166.06212	1.7
167.07037	100.0
168.07565	1.3
175.07491	1.0
177.09131	5.7
179.06960	1.2
181.08562	2.9
191.10715	4.2
193.08559	1.8
205.12494	1.1
208.33960	1.0
233.07184	0.9
271.09552	1.2
272.06808	1.3
287.09055	2.6
315.18076	1.0
347.26010	1.9
371.24179	1.9
372.24646	1.8
437.26935	1.2
469.29581	13.4
483.31543	4.7
501.32071	9.3
501.46686	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	501.3213
Annotation	Tomoeone B
Peak:m/z	Relative Intensity
55.05507	3.3
56.38292	1.2
65.03931	2.1
67.05518	5.9
68.99783	1.1
69.07056	3.0
69.24577	5.6
79.05494	6.2
81.07045	6.8
91.05495	6.0
93.07049	2.2
95.04965	3.2
95.08607	2.5
97.06528	3.8
98.22710	2.4
103.05463	2.8
105.07019	4.2
107.04943	10.9
107.08666	1.2
109.06536	2.8
109.10171	1.7
109.75846	1.1
111.04432	1.9
115.05445	1.5
117.07000	5.2
121.06509	8.5
123.04428	6.4
123.08063	1.3
123.11731	1.3
125.05994	55.4
126.06373	1.2
131.04984	1.8
131.08495	1.0
133.06494	3.9
135.04373	1.2
135.08034	8.7
137.05975	49.0
139.03902	4.8
139.07547	4.7
139.16110	1.3
141.05489	1.4
145.06413	2.6
146.07262	1.6
147.04501	1.3
147.07964	1.2
148.05185	1.6
149.06003	3.4
149.09628	3.2
151.07553	29.4
153.05467	64.4
160.05212	1.4
161.05991	3.2
162.06769	2.3
163.07542	100.0
165.09085	1.2
167.07065	6.1
168.04160	1.4
173.04485	1.1
175.07582	4.8
177.09105	73.9
178.09444	1.7
179.07037	5.5
183.06604	1.1
189.09120	2.8
191.10640	7.9
193.08569	5.7
205.12149	1.5
236.14977	2.4
241.08379	1.3
257.08173	2.9
271.09692	3.5
285.20007	1.0
343.26389	2.4
424.29092	1.2
433.27673	2.6
451.28247	4.3
465.30014	17.4
483.31076	75.9
484.31335	3.5
501.27005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3212
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
52.22029	0.5
53.03923	0.6
55.05494	2.0
57.07050	0.7
65.03927	1.6
66.04704	0.6
67.05511	3.0
68.99783	1.0
69.03421	0.7
69.07079	3.0
69.24201	2.5
77.03905	0.6
79.05501	3.7
80.06287	0.4
81.07059	2.8
82.04180	1.4
83.08594	1.5
91.05486	4.3
93.03390	1.2
93.07022	1.1
95.04951	2.9
95.08619	2.6
97.06510	3.1
97.10160	1.0
103.05476	0.6
105.04563	0.5
105.07021	1.6
107.04945	5.4
108.05717	1.4
109.06499	2.3
109.10184	0.5
110.03658	1.6
111.04451	5.1
111.08011	0.5
115.05405	0.9
117.07006	0.9
119.04933	0.8
119.08615	0.8
121.02856	1.1
121.06506	5.2
122.07243	0.6
123.04430	7.1
123.08060	1.8
124.05205	3.0
125.05988	55.8
130.07712	0.4
131.04912	0.6
133.06483	4.0
135.04413	0.7
135.08018	1.6
136.05177	5.0
137.05975	11.4
137.09634	0.5
138.06757	6.5
139.03897	10.4
139.07533	16.5
141.05466	1.3
145.06473	0.8
147.04393	1.0
147.08022	2.0
149.05956	1.9
149.09639	1.1
150.06743	0.7
151.03908	8.0
151.05011	0.9
151.07533	20.1
152.04675	1.2
152.08322	4.2
153.05463	100.0
153.08971	3.6
154.06244	25.1
154.07538	0.8
159.08064	0.5
160.05176	0.6
161.05959	4.8
161.09561	0.7
163.07526	12.1
164.56873	0.4
165.05463	2.2
165.09138	3.2
166.06252	94.8
167.07033	39.1
168.07811	17.9
169.08601	8.4
171.08156	0.6
175.07533	2.9
176.08298	1.1
177.09103	19.3
179.07018	7.6
180.07790	3.1
181.08586	98.3
182.09267	3.1
183.08517	0.5
183.10156	8.2
189.09111	1.4
191.10632	4.1
193.08609	7.6
195.10170	6.0
203.10727	1.3
205.12212	0.7
207.10165	5.8
217.12268	0.6
221.11716	2.4
238.25076	0.5
255.35684	0.5
271.09512	0.6
285.11148	0.9
287.09048	0.8
297.11212	0.5
301.10715	1.0
303.12198	0.9
315.23206	2.2
317.13702	0.5
333.24179	3.0
349.27283	0.9
361.27255	1.6
437.26599	0.9
451.28455	3.6
452.29166	1.3
455.97369	0.5
468.28824	0.8
469.29535	4.9
483.31073	13.1
484.30878	0.8
486.29840	2.6
501.32059	19.0
502.32672	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01849	0.6
55.05495	1.9
57.07087	0.6
58.18762	0.5
65.03935	1.4
66.29105	0.5
67.05507	3.4
67.49672	0.5
68.99786	0.8
69.07071	2.2
69.22266	3.0
74.22201	0.5
77.03924	0.7
79.05486	2.6
81.07058	2.8
82.04196	1.1
83.04963	0.9
83.08596	0.5
91.05492	1.9
93.03386	0.8
93.07041	1.2
95.04997	2.9
95.08601	2.3
97.06542	4.3
97.10168	0.7
98.22649	0.7
105.03386	0.8
105.07079	0.6
107.04964	2.9
107.08589	0.6
109.06506	3.1
109.10172	1.0
110.03671	2.0
111.04452	2.6
117.07028	0.9
119.08615	0.5
121.06506	5.8
122.06728	0.5
123.04428	11.3
123.08081	1.1
124.05179	0.5
125.05991	63.0
126.03152	0.8
129.69696	0.4
131.04955	0.7
133.06479	1.5
135.08046	1.8
136.09987	0.4
137.05978	23.2
138.06567	0.8
139.03902	4.6
139.07561	3.9
140.04726	0.9
141.05420	1.3
141.68028	0.4
145.06441	0.9
147.04387	0.6
147.08086	1.0
149.05972	3.6
149.09628	1.2
151.03908	0.6
151.04967	0.7
151.07536	8.0
152.04659	0.7
153.05466	100.0
154.05914	1.1
161.06004	3.7
163.07535	12.0
165.05470	1.0
165.09074	1.6
167.07047	9.4
167.10748	0.6
168.04143	2.4
169.04980	1.2
175.07590	2.1
177.05524	0.5
177.09100	13.1
179.07054	4.1
183.06520	0.6
191.10606	1.4
193.08662	3.5
195.93959	0.5
202.69620	0.5
257.08029	1.3
271.09583	1.0
273.07623	1.5
275.08966	0.6
343.26358	1.2
361.27356	1.6
382.43579	0.5
392.31528	0.7
433.27512	1.0
451.28360	2.5
465.30161	3.8
469.29657	10.7
474.31870	0.5
483.31039	12.3
501.31763	8.0
501.37665	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	501.3918
Annotation	3beta-Acetoxy-11alpha-hydroperoxy-12-ursene
Peak:m/z	Relative Intensity
51.16061	0.4
55.05526	0.5
56.50859	0.5
64.42157	0.4
65.92583	0.5
67.05502	0.6
69.07068	0.9
69.28997	2.5
79.05489	0.6
81.07053	1.6
95.08599	0.9
98.22682	1.0
102.76520	0.5
109.10212	0.7
115.35995	0.5
135.08069	0.5
139.07579	0.9
153.05461	0.5
168.04198	1.0
244.47791	0.4
264.04260	0.6
339.28970	1.1
501.39160	100.0
502.39581	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	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57179	2.1
52.89894	2.7
53.03949	6.4
55.01876	5.6
55.05515	7.9
56.97464	2.4
57.03409	2.6
57.07067	5.3
60.72181	2.2
65.03957	2.7
67.05494	13.9
68.54104	2.5
69.03431	23.7
69.07077	10.1
69.32995	12.5
71.04990	3.1
73.02914	5.0
74.52363	2.7
79.05486	25.9
81.03418	16.2
81.07057	34.6
83.08621	3.5
85.02903	40.6
86.09683	4.7
87.00829	16.3
91.05476	25.9
93.07049	44.8
95.04963	4.3
95.08599	31.0
97.02898	19.0
97.06528	3.3
99.04465	7.4
105.01884	23.3
105.07029	69.2
107.08599	75.3
109.02892	13.3
109.06493	4.7
109.10154	15.8
111.08100	3.3
117.07000	16.2
119.08571	49.8
121.10143	73.7
123.04414	6.8
123.11733	10.1
127.03909	35.5
129.06976	4.3
130.07788	6.8
131.08549	24.8
133.10115	22.5
135.08041	5.5
135.11664	22.6
139.11206	2.8
143.08554	3.5
144.09363	4.4
145.04977	19.5
145.10118	89.6
145.11226	5.9
147.11626	17.2
149.06003	10.0
149.09669	3.8
157.10124	4.2
158.10913	4.7
159.02876	11.0
159.11702	44.6
161.13255	66.2
161.14520	4.2
163.07549	35.8
163.11177	80.5
164.07979	2.7
173.13246	25.0
177.09129	3.8
191.17932	3.8
199.14876	4.1
201.16389	100.0
219.17456	92.5
227.98807	2.6
231.05008	12.1
287.16425	4.9
297.37332	2.4
305.17511	8.0
476.44220	2.9
502.23386	26.2
503.18213	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	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52079	1.3
53.03938	4.5
55.01869	1.4
55.05508	6.8
67.05505	16.6
69.03423	7.0
69.07059	5.3
69.22716	8.0
73.02927	1.8
73.32755	1.1
73.57580	1.4
77.09338	1.1
79.05495	25.4
81.03423	7.1
81.07058	32.9
81.64902	1.2
83.08620	2.6
85.02906	18.7
87.00825	6.7
91.05474	37.6
93.07041	36.0
95.04964	5.5
95.08605	32.8
97.02895	6.4
97.06537	1.5
99.04438	3.2
103.05452	1.8
105.01865	11.1
105.07026	59.8
105.30769	1.6
106.07336	1.2
107.04974	1.2
107.08592	35.2
107.69617	1.2
109.02866	9.7
109.10154	13.5
111.08052	1.3
115.05443	2.9
115.31112	1.1
116.06197	2.4
117.07016	25.1
119.08577	35.5
121.10143	18.2
123.08067	1.6
123.11758	1.1
125.09619	2.2
127.03902	17.3
129.06970	2.4
130.07771	4.8
131.08563	42.4
133.10129	22.2
135.08112	1.4
135.11656	7.4
142.07614	1.1
143.08565	2.9
144.09381	3.3
145.04929	8.2
145.10121	72.9
146.10500	1.9
147.11668	12.5
149.13283	2.6
159.02879	3.4
159.11685	39.1
161.13242	12.3
163.11134	2.2
171.11816	1.3
173.13264	18.5
175.14818	4.2
187.14876	1.2
189.16394	3.9
191.17952	2.9
199.14723	2.3
201.16373	100.0
202.16745	2.6
203.17929	2.8
219.17429	20.1
231.04996	5.4
237.18411	2.4
249.05843	1.8
323.18588	1.5
398.32977	1.2
502.33856	1.8
503.24527	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	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01879	2.5
55.05510	7.6
57.03424	1.9
61.34024	1.4
67.05507	23.7
69.03415	8.3
69.07072	7.1
69.26814	9.5
71.04987	3.1
73.02921	2.6
77.03910	2.8
79.05499	35.2
81.03422	9.7
81.07060	42.5
81.07509	3.2
83.04984	2.9
83.08604	4.1
85.02911	22.5
85.13382	1.7
87.00847	9.4
91.05481	55.4
91.06059	2.7
92.05861	2.1
93.07048	44.0
95.04974	6.4
95.08609	47.2
97.02887	10.7
99.04455	5.2
105.01875	11.7
105.04513	3.2
105.07034	77.5
106.07385	2.2
107.08597	47.0
109.02882	10.8
109.10152	19.1
111.08091	2.6
115.05449	3.2
116.06207	2.3
117.07024	35.9
119.08581	49.1
119.09426	2.9
121.10148	19.5
123.11723	2.2
123.89120	1.6
127.03902	21.1
128.06250	2.5
129.07019	5.7
130.07803	6.6
131.08569	61.9
133.10129	32.1
135.11707	12.2
143.08624	3.2
144.09315	4.9
145.04933	9.4
145.08968	4.0
145.10129	77.3
147.11708	7.5
149.13179	3.1
157.10106	3.0
159.02899	6.1
159.11705	49.3
161.13287	18.3
163.14763	2.1
173.13257	25.2
175.14839	4.0
191.17966	2.1
201.16386	100.0
202.16803	3.0
203.18042	2.9
219.17448	26.0
231.05026	6.5
371.77295	1.7
377.66525	1.5
407.58929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.1
55.01873	9.2
55.05510	7.9
57.03440	8.3
61.02932	5.0
67.05505	40.8
68.99796	7.0
69.03432	40.7
69.07058	16.0
71.04990	9.8
71.45582	3.9
73.02924	8.2
79.05486	40.1
81.03418	40.0
81.07057	66.4
83.05003	3.1
83.08628	3.6
85.02905	100.0
87.00829	41.7
90.81733	3.0
91.05476	71.7
93.07042	45.3
95.04919	3.9
95.08601	49.1
97.02888	46.7
97.10182	8.8
99.04470	18.9
99.08127	3.6
103.03951	2.8
105.01865	35.6
105.07024	62.1
107.08593	37.1
109.02870	44.7
109.06535	16.7
109.10152	26.8
115.03940	4.5
117.01868	6.3
117.07008	24.0
119.08572	66.7
119.09408	4.3
121.10148	33.1
123.08082	6.3
123.11734	3.8
127.03914	86.1
129.01871	5.1
131.08549	33.3
133.10104	19.1
135.08083	6.3
135.11697	29.6
137.09642	4.6
143.08569	8.0
144.09343	3.3
145.04982	35.8
145.10112	61.3
147.02759	3.3
147.11685	97.8
149.09634	7.4
149.13257	20.9
155.08565	3.0
157.10211	5.8
159.02893	29.1
159.11697	26.0
161.13255	9.2
163.11179	6.3
165.12772	3.7
169.10146	3.8
171.11603	3.0
173.13284	11.7
174.03807	3.2
175.14835	9.1
177.16461	3.0
181.10130	3.4
185.13145	3.3
187.14816	8.7
191.17953	16.1
199.14795	5.8
201.16365	85.6
201.18115	5.3
202.16811	3.7
212.87601	3.5
213.03883	5.0
217.15979	4.0
219.17451	41.4
231.05043	19.7
243.13885	3.1
243.17351	3.3
261.18234	3.1
366.10925	4.4
437.12946	4.3
449.21881	5.8
502.23343	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05503	3.4
58.70327	0.7
62.06584	0.8
65.03939	2.1
67.05505	8.6
68.99814	1.1
69.07066	3.2
70.69612	1.7
71.08640	1.0
74.79317	0.7
77.03904	0.9
79.05489	7.2
81.07049	6.9
83.04982	1.1
83.08625	0.9
84.67622	0.7
89.06020	2.0
91.05493	3.2
93.07028	3.8
95.04958	6.0
95.08618	4.9
97.06548	4.1
97.10177	1.1
98.23249	0.8
98.58155	0.7
103.05466	2.9
105.04526	1.7
105.07037	2.5
107.04955	7.2
107.08570	1.9
108.02127	2.5
109.06508	4.0
109.10132	1.4
109.67853	0.7
110.03686	2.4
111.04458	3.8
115.05456	1.1
117.07037	2.1
119.04995	1.1
119.08603	1.1
121.06518	6.9
121.10169	1.8
123.04414	11.6
123.08051	1.1
124.05153	0.7
125.05989	68.4
126.03109	1.0
126.06317	1.5
131.04901	2.0
133.06476	2.0
135.08043	4.4
135.11676	1.0
137.05975	55.0
138.06303	10.9
139.03909	4.7
139.07549	3.0
140.07895	1.0
141.05470	13.2
145.06509	1.4
147.04469	1.5
148.05225	0.9
149.05995	8.4
149.09641	1.9
151.03902	41.3
151.07533	6.9
152.04582	1.2
152.07939	1.0
153.05466	100.0
154.05811	3.0
161.06003	4.2
162.06757	1.3
163.07542	47.6
164.07910	3.1
165.05492	1.6
165.09073	0.9
167.07054	4.6
168.04236	1.5
171.06514	1.1
175.07561	6.5
176.08151	1.0
177.05560	1.2
177.09102	30.8
178.09447	1.6
179.07027	3.4
183.06573	1.1
187.07579	1.1
189.09108	3.3
191.10625	10.4
193.08629	2.1
203.10626	4.8
205.12224	2.4
217.12259	3.1
229.12332	1.1
231.14026	0.9
241.08569	1.0
301.21683	1.1
313.21689	1.2
319.22693	3.2
331.22665	1.7
346.24759	1.2
359.20654	1.1
403.22733	1.6
421.23544	4.0
435.25284	4.6
439.24863	20.2
452.28531	1.4
453.26364	27.2
454.26779	1.0
466.30429	4.5
471.27411	39.7
472.27744	1.4
484.31357	5.6
502.32706	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	502.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.05512	4.2
57.06863	1.3
57.07079	15.5
60.05639	2.7
67.05501	8.0
68.99776	2.0
69.07060	5.4
69.35406	6.9
71.08630	30.7
75.56496	1.1
77.03943	1.8
79.05495	4.9
81.07058	9.9
82.04171	1.4
83.08585	2.0
85.10194	14.3
87.04469	5.3
89.06032	57.6
91.05488	10.7
93.03379	1.6
93.07043	11.4
95.04968	8.6
95.08601	4.8
97.06525	4.0
103.05473	5.3
105.03410	1.7
105.07015	5.8
107.04944	7.6
107.08607	3.8
108.02108	3.2
109.06527	2.4
109.10143	2.1
111.04440	4.0
117.07026	2.4
119.04907	3.8
119.08549	2.1
121.06509	39.5
121.10143	3.1
123.04430	11.8
125.05991	68.7
126.06314	1.6
130.08621	1.8
131.04913	2.6
133.06465	2.4
133.08595	36.5
135.08067	6.8
136.05258	1.6
137.05974	32.7
139.03889	4.9
139.07527	2.8
141.05460	12.4
145.06464	2.6
147.04410	2.6
147.08034	7.3
149.05994	8.5
149.09590	4.7
151.03911	41.2
151.07558	6.3
152.04688	2.2
152.07828	2.0
153.05463	100.0
157.10161	1.5
161.05936	4.0
163.07535	48.2
163.11192	3.3
164.07906	1.4
165.05492	1.5
165.09125	15.9
167.07050	8.1
173.37207	1.6
175.07585	4.7
177.05428	2.1
177.09099	37.8
177.11209	12.9
178.09422	3.0
179.07047	4.4
187.07532	1.8
189.09241	1.8
191.10651	10.2
193.08636	2.6
201.09059	1.5
203.10663	5.1
205.12369	1.6
209.11708	10.4
217.12222	3.4
235.13268	1.8
246.47394	1.6
247.20631	9.9
253.14505	2.4
271.15359	3.8
291.23251	18.0
301.21631	2.0
315.18030	3.1
319.22675	3.2
331.22668	2.7
335.25946	4.5
359.20630	44.1
360.21033	1.7
403.22849	2.0
421.23792	4.1
435.25070	5.5
439.24850	21.5
453.26337	26.3
471.27475	46.4
472.27768	2.7
484.31393	7.0
485.34821	24.1
502.28326	2.4
502.37732	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.1
57.07067	2.1
67.05516	5.4
69.07065	4.8
69.31873	5.4
79.05489	3.7
81.07053	4.6
83.08620	3.1
91.05488	2.3
93.07042	1.6
95.04967	1.3
95.08590	4.3
97.10170	1.6
109.10151	1.4
120.96639	3.5
121.10132	1.7
123.04399	2.6
125.05987	2.8
135.11618	1.1
137.05992	8.4
139.03957	1.7
139.07570	2.4
149.28288	1.1
151.07530	2.4
153.05447	7.0
159.09599	1.2
161.05957	1.1
161.09737	1.1
163.07544	1.0
167.07062	6.7
175.07602	1.9
177.05467	4.3
177.09076	2.0
183.07999	1.1
187.03996	1.7
195.00305	3.4
195.08118	1.1
195.70848	1.0
197.05989	1.7
199.07596	2.2
211.07713	1.2
213.05449	2.0
227.07042	4.3
228.07829	1.6
229.05061	2.0
229.08505	1.2
230.05621	1.5
231.06502	1.4
237.08932	1.5
239.06966	2.0
240.07698	2.0
241.04828	1.8
241.08699	5.8
242.05760	1.9
243.06497	4.4
245.04453	2.2
245.08064	3.8
254.05943	1.2
255.06543	8.8
255.08929	1.4
255.10016	1.3
256.07346	3.5
257.04315	1.7
257.08084	3.9
258.05225	3.1
258.08951	1.3
259.06033	13.5
259.08737	1.6
260.06775	3.7
267.06628	2.7
267.10117	1.6
269.05447	1.1
269.07974	5.4
271.05887	1.7
271.09491	2.0
272.06845	2.6
273.07501	15.4
274.08289	13.7
275.05426	1.6
275.09241	1.2
283.09650	3.8
284.10526	1.6
285.07581	1.4
286.08469	1.6
287.09119	12.6
289.07123	3.7
290.07663	2.5
291.08728	1.9
296.10327	1.3
297.11191	2.9
299.08994	2.6
305.10248	1.2
315.12189	1.4
319.22702	2.2
339.29016	3.9
375.21747	1.5
421.23914	1.8
422.24414	4.5
425.26752	2.4
435.25256	3.6
439.24881	3.8
440.25598	13.0
441.23608	5.6
453.26370	34.1
454.26477	1.6
456.25403	2.1
459.18570	2.2
459.24811	28.2
471.27432	100.0
472.27899	3.9
502.29129	14.5
503.29309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01863	0.9
55.05515	0.7
59.04986	1.7
62.83148	0.7
67.05491	1.9
69.03430	3.6
69.07061	1.1
69.28702	0.7
69.31141	1.4
69.31552	2.0
71.04994	1.4
73.02903	2.2
73.06557	4.3
79.05487	1.1
81.03430	1.7
81.07051	3.1
83.05025	0.7
85.02888	5.2
87.00844	3.2
87.04468	31.4
89.06032	100.0
91.05466	1.2
91.07616	0.7
93.07047	2.7
95.04986	0.9
95.08601	2.8
97.02883	2.3
98.23569	1.0
99.04472	1.0
99.48357	0.6
102.48624	0.6
105.01875	2.0
105.07014	5.0
107.07064	1.2
107.08582	2.8
109.02871	2.3
109.10163	2.5
111.08107	0.8
113.06020	1.8
116.07078	0.8
117.07011	1.1
117.09148	2.5
119.08579	2.4
121.10182	1.2
127.03922	3.6
131.07037	7.5
131.08577	2.3
133.08603	50.0
133.10191	1.8
143.08542	0.8
145.04977	2.0
145.10124	3.8
147.11681	1.0
148.80554	0.8
157.08624	0.6
158.00691	0.7
159.11655	4.4
161.13240	1.5
167.83318	0.7
175.09676	5.4
177.11229	13.1
191.14447	1.4
191.18005	0.6
201.16365	7.5
219.12224	1.2
219.17455	5.5
221.13829	1.6
223.15323	0.7
341.19608	0.7
353.21841	0.9
489.27924	0.9
498.19565	0.6
502.23483	2.4
502.31818	1.4
503.16980	0.9
503.24683	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	100.0
59.04998	8.3
70.93461	2.5
73.02917	2.4
74.09719	3.1
77.03922	2.6
84.06287	1.9
85.09192	2.0
87.04468	54.5
89.06031	55.4
91.05479	17.1
93.07058	17.1
95.04972	7.2
99.04440	3.2
103.03947	73.9
103.05456	6.2
103.07554	2.3
105.04539	3.2
105.07048	6.7
107.08615	4.4
109.06532	3.6
117.07035	2.4
118.07801	7.8
119.04950	3.6
119.08606	6.6
121.06511	82.5
121.10169	3.1
131.07083	3.1
133.08592	23.2
133.10149	2.9
135.08073	13.0
135.11745	2.2
139.42633	2.4
147.06520	27.6
147.08006	15.3
147.11774	2.3
149.09648	8.2
150.06731	3.0
159.08112	2.2
159.11725	3.5
163.09702	12.5
163.10974	3.0
165.09108	42.9
171.01431	2.0
177.11282	4.1
177.12753	3.1
183.10109	2.3
191.09158	27.6
191.10732	4.4
209.11775	21.0
218.65186	2.1
221.11736	4.6
227.12782	25.1
230.35359	1.9
233.18994	36.3
235.11665	3.8
241.14394	2.4
253.14395	4.9
267.12320	3.7
271.15399	20.7
277.21655	49.6
278.21832	3.4
278.38583	2.5
309.46420	2.0
315.18039	6.2
321.24307	7.0
355.17282	5.9
359.20612	20.6
373.18585	51.9
379.25131	2.3
437.50861	2.9
464.06207	2.1
467.30057	20.6
471.08276	2.1
471.33224	14.0
485.31030	11.2
502.37064	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80688	0.7
55.05513	1.1
57.07076	28.6
57.56472	0.7
58.69561	0.8
59.05004	2.3
62.93096	0.9
67.05484	1.4
69.03408	1.2
69.07066	1.9
81.07076	1.8
83.08627	1.4
87.04471	8.5
88.07610	1.1
89.06033	12.0
91.05499	4.3
93.07029	6.1
94.20692	0.9
95.04984	2.5
95.08604	1.0
95.43895	0.7
103.03944	100.0
103.05422	2.1
103.07581	1.2
104.10619	0.9
104.99303	0.8
105.04513	1.8
105.07041	1.4
107.04974	0.8
107.08620	1.4
115.51273	0.9
118.07822	1.8
119.05000	1.4
119.08582	1.5
120.96655	2.9
121.06505	25.4
123.04455	1.6
133.08594	6.3
135.08051	1.6
136.26253	0.9
137.05984	1.4
147.06529	2.8
147.08023	4.1
149.09647	1.9
153.05460	1.6
163.09695	1.5
164.00830	3.0
165.09123	12.1
169.98251	0.9
191.09142	2.4
191.10757	1.1
195.00185	0.9
209.11725	6.8
227.12805	2.1
233.19029	7.9
235.11755	3.2
253.14337	1.0
256.26440	1.0
271.15524	2.0
277.21619	8.0
315.18027	19.7
321.24210	2.6
339.29074	1.7
373.18576	18.3
374.19113	1.0
427.30573	7.9
459.24924	2.9
485.30853	1.2
502.27835	2.4
502.33899	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	502.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47482	0.3
53.03948	0.5
55.05502	1.7
57.07071	4.5
58.99579	0.8
59.04994	0.8
61.02922	0.7
62.30500	0.4
67.05493	1.5
69.07070	6.2
69.28493	2.2
71.08630	4.0
79.05492	4.7
80.11056	0.4
81.03458	0.5
81.07046	1.4
83.08629	0.5
85.02893	0.6
85.10175	1.0
87.02687	2.7
87.04473	0.6
89.06020	3.6
91.05463	3.5
91.63697	0.3
93.07040	1.3
95.04967	0.7
95.08601	0.9
103.05456	2.5
103.07588	1.0
105.04514	0.5
105.07026	26.2
106.07861	2.5
107.08584	1.6
109.02737	0.4
109.10138	0.8
119.08610	0.5
121.06493	3.2
121.10170	0.5
123.06080	0.4
128.12978	0.4
133.06483	24.3
133.08563	2.5
134.07274	13.4
134.08067	0.3
135.08047	60.2
136.08348	0.8
137.04227	1.2
143.08905	2.0
147.08057	1.1
149.09590	0.6
151.07536	14.0
153.05374	0.4
159.08012	0.4
161.09578	1.0
165.03697	26.2
165.09100	1.5
167.05261	6.3
173.09727	0.6
177.11200	1.0
179.05246	7.4
183.04683	1.0
187.11174	0.6
209.11729	0.5
250.97169	0.4
254.29689	0.4
277.16187	13.6
291.23160	1.3
295.17249	100.0
296.17548	3.0
340.29282	0.9
359.20621	2.6
387.32614	0.4
423.38409	0.4
485.34427	1.2
502.35846	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74132	2.2
55.05501	5.7
57.07083	3.1
59.87864	1.6
65.03942	1.9
67.05499	4.3
69.07071	4.2
69.88729	5.8
73.03534	2.0
79.05486	5.4
81.07067	3.8
89.06026	2.3
91.05447	2.2
93.07019	2.1
95.04974	3.7
95.08650	2.2
107.04935	3.9
110.03683	2.8
111.04420	5.0
121.06492	5.9
123.04401	9.7
124.05218	2.6
125.05122	3.3
125.05989	53.4
137.05980	54.5
139.03912	8.7
139.07509	9.6
140.04662	9.8
149.05988	4.1
149.09579	2.7
151.07555	22.9
152.04695	16.0
153.05467	100.0
154.06194	5.8
155.07031	3.1
163.07497	16.6
165.09100	2.7
167.07034	21.8
175.07458	2.0
177.09085	14.7
177.11281	2.6
191.10602	2.3
221.07292	2.2
257.07950	3.4
317.24747	2.5
355.20874	1.9
369.97046	2.0
425.26703	10.8
439.28485	19.8
457.29480	86.3
458.29181	3.2
471.31390	3.8
502.32547	8.7
503.27286	4.8
503.33670	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	502.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.4
59.19330	1.4
65.03917	1.6
67.05506	2.6
69.07064	1.7
69.47311	5.4
79.05488	3.4
81.07055	2.2
83.08632	1.6
91.05473	3.0
93.07038	1.4
95.04974	2.2
97.06543	4.2
98.64750	1.3
107.04958	4.6
109.06537	3.1
111.04443	5.5
121.06524	5.5
123.04403	8.0
123.08088	1.8
124.05236	3.3
125.05995	61.0
135.08107	2.5
137.05978	56.3
139.03896	12.3
139.07515	8.1
149.05978	2.4
149.09735	1.7
151.07541	24.3
153.05470	100.0
161.06042	2.4
163.07547	16.4
163.27756	1.6
165.05513	2.8
165.09116	1.7
165.46919	1.4
167.07050	6.7
177.09131	16.3
182.18826	1.7
189.09207	1.3
191.10652	2.5
257.08054	3.8
317.24606	2.4
425.26874	11.4
427.05756	1.6
439.28482	23.9
457.29486	95.2
458.29947	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	502.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
57.07067	1.0
67.05487	2.5
69.07058	1.5
69.24706	1.7
69.25115	2.3
71.08620	2.0
79.05480	3.3
81.07060	4.3
83.01340	1.2
89.06029	2.5
91.05467	2.1
93.07044	1.6
95.04966	2.3
95.08611	1.7
96.05772	0.9
97.06549	0.8
98.23329	2.5
105.03410	0.7
105.04478	1.1
105.11460	0.6
107.04941	2.7
109.06508	3.7
109.10110	0.9
111.08067	2.3
117.06966	1.4
121.06509	4.2
123.04435	11.5
124.05205	5.0
125.05995	9.3
133.08620	2.0
135.08035	2.8
137.05974	31.7
138.06288	3.1
139.07538	59.2
140.04625	0.8
140.07901	0.9
145.06445	2.1
147.08066	1.2
149.05952	2.7
149.09599	0.9
151.07533	10.3
153.05467	19.3
154.05740	0.7
159.08066	1.4
161.05959	1.5
163.07535	10.7
165.09114	1.7
167.07034	100.0
168.04170	2.8
168.07358	2.6
169.04932	0.7
175.07549	1.0
177.09103	12.2
179.07033	1.2
179.74129	0.7
181.08624	1.6
183.06560	1.7
185.45123	0.6
191.10699	2.7
192.52130	0.8
193.08488	1.3
240.15302	0.6
257.08023	0.8
291.22989	0.9
303.23157	2.9
317.24808	1.8
352.66928	0.8
359.20715	1.7
425.26880	11.5
439.28482	11.4
453.29922	2.3
457.29587	16.7
466.30310	1.6
471.31021	10.1
485.34711	1.2
502.24805	1.5
502.32101	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	502.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
57.07077	100.0
58.07393	0.9
58.27598	0.8
59.05002	9.5
66.71893	0.9
67.05521	0.8
69.03428	1.8
69.07079	1.6
71.08621	2.0
73.02908	1.4
73.06575	1.0
74.09727	1.3
77.03959	1.9
77.06036	1.6
79.05488	1.7
87.04469	47.7
89.06031	72.3
91.05473	11.2
93.07045	15.8
95.04974	6.5
95.08630	1.6
95.84742	1.1
99.04454	1.1
103.03945	77.5
103.05399	4.3
103.07589	3.4
105.04516	2.3
105.07040	4.9
107.04951	1.4
107.07051	1.9
107.08604	5.7
108.07372	0.8
109.06513	3.1
113.13298	1.5
115.38115	0.9
117.07018	1.9
118.07782	6.0
119.04931	4.5
119.07101	1.0
119.08578	6.3
121.06503	68.5
121.10114	2.0
122.06815	1.3
130.08611	1.1
131.07063	12.1
131.08527	1.1
133.06488	3.5
133.08603	55.2
133.10191	2.5
135.08057	15.7
135.11726	1.8
147.06534	13.8
147.08054	15.7
147.11772	1.0
149.09625	7.1
149.13174	1.4
150.06770	3.6
159.08035	1.5
159.11670	2.6
163.09676	7.6
163.11171	2.6
165.09119	35.3
166.09497	1.1
167.10728	1.1
173.09599	0.9
175.09665	3.4
177.09137	3.2
177.11226	18.3
177.12750	3.7
179.10722	4.3
183.10258	1.0
184.02835	0.9
191.09148	11.2
191.10754	3.2
193.12169	1.1
197.11728	1.2
207.12325	1.6
209.11742	11.7
210.16666	1.0
221.11751	4.2
221.13705	2.1
223.09558	1.0
225.03976	0.8
227.12750	3.0
233.19008	38.5
233.21350	2.0
234.19290	1.3
235.11542	4.3
241.14349	7.1
245.18909	1.1
253.14406	5.2
259.20569	2.1
267.12231	4.1
271.15366	6.1
277.21622	43.3
278.22089	1.7
303.22995	1.1
309.16904	2.5
311.14883	1.5
315.17969	3.9
321.24292	7.8
327.18118	1.3
335.22226	5.1
355.17535	7.1
359.20630	80.9
360.20969	2.9
373.18567	35.9
373.23346	1.5
374.18927	1.2
379.24011	1.1
427.30353	1.0
432.64572	1.0
466.25204	0.9
467.30032	35.3
468.30460	2.1
471.33157	51.3
472.33359	2.1
485.30872	4.4
502.37796	78.9
503.38174	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	502.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
57.07076	39.9
57.42873	0.9
67.05494	1.6
69.07053	3.7
71.08632	46.6
77.03934	1.7
79.05493	1.6
81.03373	1.3
81.07050	3.4
83.08595	1.8
85.10179	4.3
87.04472	8.2
87.47342	1.2
89.06030	100.0
91.05474	13.7
93.07049	17.4
95.04978	5.5
95.08577	2.0
96.56075	1.2
98.22694	2.2
103.05478	4.4
104.99288	1.1
105.04492	3.5
105.07011	4.3
107.04992	2.6
107.08561	2.4
109.06496	1.2
109.10134	1.1
117.06997	1.8
118.07784	2.5
119.04935	4.0
119.08597	5.5
121.06503	60.8
121.10128	1.8
130.08632	2.3
131.07089	2.2
133.08606	60.3
135.08076	3.7
135.11690	1.2
145.10117	2.1
147.08052	14.4
149.09604	1.3
153.05444	1.4
162.09016	1.1
163.07442	1.4
163.11172	2.6
165.09113	30.1
167.10669	2.8
177.11218	24.8
191.10690	1.8
195.00230	5.7
209.02902	1.1
209.11688	13.1
211.13339	1.4
212.94002	1.1
221.13814	4.3
227.12891	1.2
235.13367	2.5
247.20580	20.6
253.14471	2.7
271.15305	5.1
275.90137	1.3
291.23163	30.3
309.46851	1.2
313.27313	4.2
315.17929	3.2
335.25702	6.7
359.20636	82.5
360.20795	2.7
441.32101	1.7
485.34738	58.0
486.34985	3.1
502.29160	1.2
502.37183	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	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01885	3.0
57.03440	2.8
61.02917	3.2
67.14433	0.5
69.03434	16.3
71.04993	5.0
73.02911	1.6
81.02968	1.1
81.03419	18.5
85.02409	1.1
85.02906	17.4
91.03966	0.9
97.02893	6.6
99.04459	5.7
109.02879	2.8
117.05477	1.6
127.03908	4.2
133.07629	3.0
134.05988	0.8
145.04951	2.1
153.01839	3.9
154.02139	1.1
161.07086	5.0
163.08662	4.6
179.08122	1.3
189.06602	4.8
191.08148	4.9
206.06917	0.6
207.07649	87.9
208.07954	2.1
209.04643	0.6
219.07651	0.8
221.09155	0.8
249.08679	1.4
251.49454	0.6
287.10104	1.2
305.11389	1.8
311.13672	1.6
323.12375	32.0
324.12430	0.7
341.13428	100.0
342.13773	2.5
459.17410	0.7
503.22552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.189
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
51.22563	0.6
56.02143	0.6
58.10262	0.6
69.34981	2.9
81.03384	0.6
125.45826	0.7
127.03953	0.9
130.86337	0.5
139.03906	0.6
197.12814	0.6
219.17285	1.0
448.66495	0.7
487.40836	0.7
503.18817	100.0
504.18951	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1893
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
52.05020	1.1
52.46224	1.1
56.96573	3.3
69.16536	7.4
73.23158	1.2
98.23444	2.2
98.97591	10.5
103.05512	1.3
110.97615	3.3
116.98661	3.4
128.98622	2.7
131.04953	1.3
137.06021	2.6
143.00275	1.3
152.98773	1.2
158.99672	2.7
163.07623	2.0
170.99704	1.5
182.32529	1.3
189.00911	1.7
219.01909	4.1
237.02893	4.7
335.09702	3.5
371.16922	3.3
389.14746	7.4
407.16006	2.4
503.07364	2.6
503.20029	100.0
504.20206	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	503.1894
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
55.05518	0.6
57.03454	0.8
65.03934	0.6
67.05503	1.1
69.03421	1.8
69.07050	0.9
70.06602	0.8
71.04963	1.0
79.05505	0.8
81.03404	1.8
81.07052	3.3
83.08592	0.6
84.04536	0.7
85.02910	4.1
85.06517	0.7
86.06067	0.6
86.09674	1.0
87.00824	1.8
91.05466	1.5
93.07035	1.7
95.08611	2.9
97.02903	1.8
97.44704	0.6
97.66270	0.6
105.01855	2.3
105.07025	2.5
107.08570	2.1
109.02858	2.0
109.10151	1.3
111.08052	0.7
117.91162	0.6
119.08595	2.2
121.10120	0.9
123.11728	0.7
124.23544	0.6
127.03910	1.9
128.49643	0.6
129.78532	0.6
131.08574	1.4
133.10173	2.0
135.11726	1.2
136.06219	0.7
137.05931	1.1
139.03876	1.1
145.10106	2.1
147.11679	1.4
149.02338	1.5
155.07126	0.7
159.11705	1.2
161.13258	1.9
163.03960	0.8
167.03395	3.7
178.33643	0.7
201.16365	3.2
203.17943	2.0
213.17957	0.6
219.17393	1.8
221.07941	0.7
231.04877	0.8
237.18431	1.8
256.09628	0.7
259.07861	0.7
267.08908	1.2
275.04794	0.6
285.10077	1.9
319.08160	1.0
323.14645	5.1
429.21225	0.8
457.20447	1.3
485.19949	28.6
503.19409	100.0
504.20157	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.21
Annotation	LY223982
Peak:m/z	Relative Intensity
71.43793	0.3
77.38883	0.2
88.25791	0.2
103.71024	0.2
108.39950	0.2
145.04924	0.2
191.08240	0.5
200.28619	0.2
314.96765	0.2
317.97440	0.3
325.13809	0.4
333.07944	3.1
335.09540	3.3
371.16751	1.2
381.93036	0.2
445.16757	1.1
473.14346	0.3
503.20987	100.0
504.21320	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	503.2409
Annotation	Euchrenone b12
Peak:m/z	Relative Intensity
51.47725	0.8
55.30717	0.7
58.17580	0.7
69.89944	1.9
80.94847	0.7
90.09592	0.8
103.96019	0.7
104.99264	1.0
167.05476	0.8
170.42068	0.8
177.33176	0.8
183.56924	0.7
404.86307	0.8
420.97012	1.6
503.23972	100.0
504.24194	4.3
507.66968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2465
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
53.19248	0.3
54.50095	0.4
58.97237	0.4
61.38283	0.3
69.79865	1.0
85.02882	0.4
91.05459	0.5
105.07024	0.7
109.10168	0.6
127.03938	0.4
133.10114	0.6
145.10158	0.4
202.16748	0.7
203.05251	0.9
203.17932	0.4
231.76195	0.4
235.37331	0.4
235.64178	0.4
259.07907	0.8
333.00800	0.3
334.41879	0.3
341.19330	2.1
385.94186	0.3
459.22180	0.9
471.22003	1.5
503.24631	100.0
504.24948	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	503.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22533	0.3
81.07049	0.5
83.24482	0.2
85.02871	0.3
102.93929	0.2
109.02903	0.2
111.07989	0.3
118.05370	0.2
203.18089	0.3
214.18042	0.5
300.17953	0.3
341.19388	2.2
411.24515	0.3
440.43616	0.3
459.21921	1.0
471.22092	1.5
503.24625	100.0
504.24799	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.9
57.03431	2.7
62.03679	2.2
67.05503	6.0
69.03434	15.8
69.07072	3.9
69.44154	11.1
79.05481	6.9
81.03404	11.5
81.07046	15.2
85.02898	33.8
86.09698	3.1
87.00819	22.2
91.05476	8.4
93.07041	22.4
95.04965	3.7
95.08629	17.0
97.02895	16.0
98.22742	5.1
99.04453	6.4
105.01863	31.7
105.07024	27.8
107.08580	21.3
109.02859	11.2
109.10146	13.6
117.06961	3.1
119.08573	12.1
121.10147	12.9
123.11637	3.3
125.09589	2.7
127.03911	25.9
129.01900	2.3
131.08560	28.7
133.10121	11.3
135.11594	2.7
135.43729	2.6
137.02365	3.8
139.07503	4.1
143.08583	3.9
143.42146	2.5
145.04948	9.4
145.10110	32.2
147.11667	5.6
148.54074	2.4
149.09587	3.2
159.02875	6.4
159.11676	25.5
161.13200	5.2
173.13269	8.0
177.12639	3.1
183.11832	2.8
189.16341	7.7
190.24799	2.8
199.14751	5.0
201.16365	100.0
202.16643	3.2
203.17986	12.4
219.17432	79.9
220.17572	3.0
231.04887	7.8
237.18430	18.4
249.05930	4.5
259.16821	5.1
309.18378	3.8
327.19470	4.1
330.08868	4.5
345.20688	3.2
357.04825	4.4
387.21384	5.6
413.19711	16.2
431.20590	5.0
444.43457	3.0
449.21844	6.6
485.20660	4.2
503.18924	96.7
504.20334	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2642
Annotation	Tiegusanin A
Peak:m/z	Relative Intensity
51.02391	0.9
53.03944	2.6
55.01876	2.2
55.05514	5.7
57.03426	1.7
57.07072	2.3
65.03941	4.2
67.05507	26.9
68.99796	3.1
69.03436	1.9
69.07079	4.0
71.04990	3.0
71.08629	3.3
72.42183	0.7
77.03944	1.9
79.05500	9.6
79.64354	0.7
81.03423	3.1
81.07060	21.0
83.01353	1.2
83.05013	2.0
83.08626	3.0
85.02896	1.3
85.06561	3.1
85.10218	1.1
89.06023	4.1
91.05475	8.8
93.03397	1.6
93.07050	6.7
95.04975	17.9
95.08609	8.0
97.02914	1.1
97.06541	1.3
97.10180	1.3
98.03632	1.8
103.05463	1.6
105.03406	2.1
105.04529	2.1
105.07029	6.7
107.04975	2.7
107.08601	4.1
109.02886	3.0
109.06502	4.0
109.10171	4.1
111.04441	4.0
111.08101	1.0
113.02390	1.0
115.05463	1.0
117.07012	2.2
119.04964	2.0
119.08620	3.0
121.06528	3.9
121.10145	4.2
122.03672	1.1
123.04433	64.2
123.08035	0.9
123.11713	2.4
125.02370	2.3
125.05976	6.2
126.03139	11.8
127.03946	3.2
129.07025	1.3
131.04962	1.0
131.08580	3.0
133.06494	4.2
133.08623	2.6
133.10086	3.8
135.08081	1.7
135.11702	1.9
137.05978	10.4
137.09621	1.4
138.03162	2.0
139.03911	18.1
139.07510	0.9
140.04686	4.4
141.05463	42.7
143.08565	0.9
145.06487	1.1
145.10136	1.7
147.04433	3.8
147.08052	3.3
147.11644	1.0
149.02412	1.9
149.05995	2.6
149.09610	1.5
151.03943	1.8
151.05127	1.6
151.07545	2.4
152.04686	0.9
153.01820	3.6
153.05473	18.8
153.06664	1.3
153.09192	1.0
154.02602	5.9
155.03426	5.0
155.07008	8.5
157.06522	1.5
159.04497	1.0
159.11736	1.9
161.05952	6.3
161.09641	1.0
163.03935	2.5
163.07545	3.3
165.05482	2.5
165.09167	2.3
166.71152	0.7
167.03369	4.9
167.07033	3.4
168.04189	46.1
169.04964	100.0
170.05313	1.1
173.05972	1.2
173.13261	1.2
175.07588	2.8
177.05513	3.7
177.09164	3.4
177.11218	0.8
179.07031	9.1
183.06537	68.8
184.06931	1.3
185.06236	0.8
187.07518	1.2
187.13397	0.9
189.09203	1.5
191.07083	1.2
191.10655	1.2
193.04880	1.1
193.08623	14.6
193.12265	1.4
203.10724	1.0
205.08565	1.5
207.10077	3.9
359.20554	1.4
360.20917	1.4
383.21661	0.9
407.22177	1.1
411.21423	1.0
415.25000	0.9
425.23270	2.7
435.21442	1.1
439.20837	1.0
443.24222	6.4
447.27213	4.2
453.22888	4.0
457.25864	3.9
467.24509	1.3
471.23755	11.4
475.26926	34.4
476.27310	1.9
477.15820	1.1
485.25195	6.4
503.26431	63.7
503.37476	15.7
504.26767	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88097	0.4
57.07069	0.5
65.28477	0.3
69.28805	2.3
79.05510	0.8
80.17508	0.3
81.03441	0.5
81.07063	1.0
83.08653	0.6
85.06513	0.5
91.05471	0.9
93.07026	0.6
96.44285	0.4
98.23390	1.1
103.52494	0.4
107.04897	0.5
109.10189	0.4
111.08060	0.4
123.04465	0.8
125.05991	2.1
133.10124	3.6
134.10487	1.6
137.05992	1.8
139.07558	0.9
149.09645	1.0
151.07518	0.8
152.04779	0.7
153.05463	3.2
163.07526	0.6
167.07047	1.2
171.10214	0.7
177.09116	0.6
183.06551	1.3
189.11217	0.9
272.10074	0.4
326.44650	0.4
362.48636	0.4
471.27820	0.9
472.27957	1.2
487.30566	0.5
503.27673	100.0
504.28079	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	503.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.6
58.25135	0.3
69.07087	0.4
69.31721	1.6
71.08632	0.5
85.10197	0.5
89.06032	1.2
95.08588	0.5
101.99007	0.3
121.06555	0.3
123.04426	0.4
123.08068	0.5
133.08607	0.5
137.05992	0.7
139.07555	0.4
151.07533	5.1
152.07903	1.2
165.09113	0.5
167.07045	0.5
177.09134	0.6
181.16341	0.4
191.10641	0.7
208.76711	0.4
292.23285	0.3
317.24936	0.5
318.25174	0.9
359.20602	0.5
360.20969	0.6
376.13306	0.3
387.32700	0.3
388.33002	1.3
407.33493	0.3
424.17087	0.3
503.27676	100.0
504.28119	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2983
Annotation	3alpha,20-Diacetoxy-2alpha-angeloyloxy-9alpha,13R-epoxy-7,14-labdadiene
Peak:m/z	Relative Intensity
57.07065	0.8
67.05508	1.7
69.07073	0.3
69.48855	1.0
79.05507	0.9
81.07074	1.9
83.04990	0.4
83.08616	0.4
87.04474	0.3
89.06051	1.2
91.05472	0.8
92.49964	0.3
93.07050	1.2
95.08604	0.6
98.23508	0.4
98.98463	0.3
103.03938	0.6
105.07033	0.8
107.08593	0.8
109.06512	0.5
119.08576	0.3
121.10159	0.7
127.67497	0.4
131.08586	0.4
133.08638	0.7
133.10147	0.5
137.06042	0.5
149.13210	0.8
163.07570	0.3
177.09131	0.4
223.59892	0.4
235.13036	4.4
269.17545	1.7
291.15652	4.0
331.26370	0.7
338.96747	0.4
405.30057	0.5
440.39075	0.3
451.47330	0.4
503.29797	100.0
504.30261	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	503.3006
Annotation	CHEBI:69121
Peak:m/z	Relative Intensity
53.00306	0.7
53.03931	1.8
55.01864	1.1
55.05521	4.1
57.03432	1.0
57.07079	4.3
58.00341	0.7
58.23256	0.7
63.32283	0.6
65.03931	2.9
67.05223	0.9
67.05506	10.9
68.99772	1.6
69.03419	0.9
69.07079	4.0
69.88129	2.2
71.08633	1.8
77.03925	1.5
79.05490	9.4
79.94489	0.6
81.03417	0.9
81.07058	8.0
83.04979	2.0
83.08597	3.2
85.02882	1.3
85.10189	1.5
88.58207	0.6
91.05467	5.0
91.60372	0.7
93.03413	2.1
93.07024	2.5
94.04177	1.2
95.04973	14.5
95.08607	5.3
97.02885	2.0
97.06503	1.9
97.10142	1.1
98.23357	1.3
103.05463	1.8
105.03406	1.2
105.04522	1.7
105.07024	3.0
107.04951	12.2
107.08554	1.2
109.02883	1.8
109.06509	6.8
109.10162	2.8
110.03643	1.0
111.04447	5.1
111.08108	0.7
113.05943	0.9
115.05437	1.6
117.07026	2.0
119.04932	2.4
119.08571	1.4
121.02836	0.9
121.06474	5.5
121.10137	1.7
122.03653	1.9
123.04431	39.0
123.08105	2.4
124.05191	4.9
125.02354	9.9
125.05981	13.9
126.03130	5.3
127.03893	1.8
129.06972	0.9
131.04956	1.5
131.08580	1.1
132.81912	0.8
133.06555	3.4
133.10120	1.1
134.13841	0.6
135.04422	2.9
135.05479	1.4
135.08072	2.3
136.05217	0.8
137.05977	100.0
138.03127	1.4
138.06432	1.4
139.03889	30.8
139.07559	5.9
140.04680	74.4
141.05472	18.2
145.06505	2.2
145.10162	0.9
147.04410	3.2
147.08037	2.5
149.02318	3.6
149.06000	4.5
151.03899	1.4
151.07541	32.9
152.04675	11.9
152.08055	0.7
152.11728	0.7
153.01859	2.9
153.05469	41.8
154.02623	2.9
154.06256	16.5
155.03474	3.5
155.07031	17.3
159.04358	1.5
159.08113	1.1
159.11736	0.8
160.05127	0.7
161.06010	6.6
161.09639	1.5
163.03900	12.4
163.07527	7.7
165.05443	1.5
165.09126	1.7
166.02657	1.2
167.03410	8.2
167.07037	36.0
168.04176	8.6
168.07774	2.9
169.04964	50.9
169.08603	6.8
173.06044	1.2
175.07565	2.4
177.05486	8.5
177.09088	10.3
178.06155	0.7
179.07036	7.2
180.04150	0.8
181.08614	2.0
183.06525	8.3
187.07620	1.6
189.09106	1.7
191.07027	3.5
191.10687	1.9
193.08601	12.7
195.06509	1.7
199.23123	0.7
203.07167	1.0
203.10640	1.2
205.08626	1.9
207.10165	5.1
215.10686	0.9
257.08029	0.7
273.07684	2.0
285.07806	1.0
287.09015	0.8
289.21732	1.2
303.23157	0.9
317.21164	1.6
321.24277	2.3
331.22684	0.9
349.23938	1.1
401.26620	0.9
407.22128	1.1
411.25375	1.6
415.28894	0.8
421.24048	3.3
425.27124	2.0
435.25696	0.7
439.24847	13.2
440.25412	2.2
443.28058	3.7
453.26273	10.2
454.26959	1.2
459.88190	0.8
469.29623	1.4
471.27420	43.9
472.27499	3.6
475.30753	1.5
485.28946	6.0
488.27771	4.7
503.30008	48.1
504.30386	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3368
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
50.45955	1.8
53.03954	3.5
55.05512	54.3
57.07075	4.3
61.79288	1.6
65.03917	1.9
67.05507	8.0
69.07072	7.3
69.44451	5.8
79.05508	8.6
81.07055	21.8
83.04980	100.0
83.08628	4.2
84.05389	1.6
91.05491	13.7
92.38435	1.6
93.07050	32.4
95.04990	3.8
95.08617	24.8
95.82192	2.0
96.56223	1.8
97.06533	2.9
97.10159	1.7
97.38586	1.7
99.08082	2.2
101.06020	4.3
105.07043	19.1
107.08593	33.3
109.06533	2.5
109.10165	21.4
111.08149	1.9
113.09662	5.3
117.07045	4.8
117.31313	1.7
119.08588	20.2
121.06548	4.7
121.10139	35.6
123.08083	8.5
123.11729	8.1
125.09599	2.5
125.29649	1.8
128.06245	2.3
129.07025	3.7
131.08569	12.8
133.09317	1.8
133.10120	10.3
135.08026	2.1
135.11688	31.7
135.12666	3.2
137.09637	5.8
139.11192	5.4
141.07016	5.8
142.07820	2.8
143.08543	13.8
145.10104	10.9
147.08197	2.4
147.11707	6.4
149.13274	2.8
155.08549	9.4
156.09341	2.5
157.10120	19.0
159.11697	7.6
161.09654	2.3
161.13277	3.0
161.17093	1.7
163.11180	12.1
166.07820	2.3
167.08589	8.0
169.10152	8.6
170.10944	3.2
171.08043	2.8
171.11664	13.3
173.13277	6.9
175.14789	2.2
177.12791	5.4
179.08496	2.0
179.10829	2.1
181.10124	21.3
183.11696	7.7
185.09676	3.5
185.13289	15.2
187.11171	3.4
187.14842	2.9
189.12749	6.1
193.10263	1.7
193.12308	2.2
194.10953	3.0
195.11673	16.2
197.13264	3.6
199.11215	2.5
199.14806	15.2
201.12683	3.3
203.14337	3.7
208.12514	2.4
209.13210	16.0
211.14868	3.0
213.12733	7.8
213.16402	6.4
215.14151	1.7
223.14780	16.0
225.16426	3.5
227.14305	9.6
227.18027	1.9
237.16447	8.1
239.18001	2.9
241.15956	5.0
241.19467	4.3
245.15421	2.3
250.75879	2.5
255.17545	3.7
255.21106	20.2
257.19012	15.2
265.19489	50.5
283.20551	88.1
284.21085	2.1
301.21603	68.7
365.24637	4.7
383.25781	8.0
401.26941	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	504.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96077	0.8
53.03948	3.6
55.01867	3.3
55.05501	6.0
57.03437	5.3
59.04991	1.3
61.02915	3.2
61.61508	0.9
67.05499	3.2
68.99787	2.7
69.03427	11.2
69.07063	1.5
71.04987	1.6
73.02911	2.2
74.34820	1.0
79.05522	2.3
81.03410	11.5
81.07059	4.4
83.04990	2.7
85.02906	38.2
87.00831	14.8
91.05482	3.3
93.07059	2.6
95.08623	5.3
97.02895	12.2
98.23459	1.8
99.04424	7.1
101.06011	1.6
105.01870	12.3
105.07037	5.1
107.08568	4.6
109.02882	11.5
109.10154	3.4
114.09149	1.4
117.07018	3.3
119.08581	2.7
121.06506	4.8
121.10146	2.8
123.04425	1.8
127.03912	22.5
129.01828	2.4
129.07054	2.4
131.08574	1.8
133.10127	3.8
135.08075	1.2
135.11705	1.8
137.05962	8.6
139.07567	1.9
143.08536	1.4
145.04979	12.9
145.06468	7.2
145.10068	1.7
146.07251	1.5
147.02902	1.9
147.04405	1.2
147.08046	1.2
147.11717	3.5
149.09636	3.2
151.07539	28.9
158.07260	1.3
159.02921	6.9
159.08029	1.3
160.75301	0.9
161.05989	3.8
161.09610	11.8
161.13283	1.8
162.06758	3.3
163.07555	1.2
165.05527	1.3
165.09148	6.8
173.09612	2.6
174.06754	6.9
175.07509	4.9
175.11182	1.4
177.09105	95.3
178.09576	1.3
182.36726	0.9
188.08337	2.2
189.04036	0.9
189.09097	17.2
191.10696	1.0
193.12231	12.7
201.09106	13.6
201.16315	1.0
202.16716	1.0
203.06981	1.3
203.10648	9.1
203.17935	13.5
205.08585	0.9
213.03969	1.7
215.10706	2.0
217.12241	7.1
218.89717	1.1
219.10114	1.2
221.11725	100.0
221.15259	2.4
221.18878	1.9
222.12067	2.1
227.10640	1.1
231.04942	5.9
239.12773	78.0
239.16547	3.2
241.08450	1.1
241.12302	1.5
243.10120	1.4
245.11722	21.8
249.06104	1.5
259.13272	1.5
263.12790	36.2
263.15988	1.9
263.16553	1.5
283.13379	1.4
287.12952	7.0
305.13870	27.0
305.17178	1.5
310.99695	1.0
311.12805	10.3
329.13843	9.2
329.17258	1.0
347.14801	3.7
415.13934	2.3
433.15189	1.3
460.39078	1.2
504.19086	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01859	10.4
55.05507	10.2
57.03429	8.8
61.02917	5.9
65.60600	3.7
67.05524	11.0
68.92130	3.3
69.03437	27.3
69.07066	7.8
70.57318	7.3
70.57658	4.7
73.02910	8.5
79.05490	6.6
81.03405	23.3
81.07059	22.9
83.04998	5.0
85.02903	80.8
87.00829	28.4
91.05479	11.9
93.07034	16.0
95.08609	39.2
97.02896	32.2
99.04444	11.8
105.01872	42.0
105.07032	23.2
107.08601	23.2
109.02880	23.4
109.10157	26.9
114.09161	5.6
117.06997	5.0
119.08588	24.5
121.06503	8.8
121.10133	13.1
123.11733	11.8
127.03918	56.7
129.01825	7.0
129.06908	5.6
131.08575	4.9
133.10130	17.5
135.08051	5.6
135.11765	5.7
135.19341	3.6
136.23001	4.2
137.05965	35.7
139.03888	4.0
143.08586	4.7
145.04955	34.5
145.06477	6.4
145.10129	5.6
147.11693	31.7
149.09673	5.5
151.07565	33.9
153.09055	4.7
159.02905	16.4
159.07983	4.1
161.05977	13.3
161.09610	10.0
161.13286	13.5
163.14778	9.0
165.09143	12.2
174.06767	11.8
175.07475	7.5
177.09096	71.6
188.08330	4.7
189.03951	4.2
189.09088	22.1
191.06963	4.0
193.08702	4.5
193.12210	13.6
201.09166	12.3
201.16423	7.0
203.10645	14.1
203.17953	95.8
205.08640	6.2
215.56129	4.1
217.12213	11.0
221.11728	100.0
221.15344	11.4
221.19005	17.9
230.78767	4.0
231.04932	16.9
239.12790	90.8
239.16432	7.6
245.11665	20.8
245.15414	5.8
249.06134	11.9
263.12784	38.5
263.15295	4.8
263.16147	3.8
287.12778	7.8
305.13953	22.1
311.12686	8.3
329.13849	10.0
352.30463	4.4
504.19302	7.2
504.25366	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	504.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	2.1
55.05514	2.3
57.03437	1.6
60.80661	0.3
61.02934	2.4
65.03937	0.3
67.05486	0.5
68.99792	2.0
69.03428	8.2
69.07073	0.9
69.15065	1.7
71.04982	0.9
73.02914	1.6
77.72421	0.3
79.05495	1.0
81.03423	6.1
81.07059	1.5
82.90532	0.3
83.01324	0.4
83.08591	0.5
85.02908	20.4
87.00830	9.0
91.03971	0.5
91.05463	1.5
93.07008	0.5
95.04946	0.5
95.08617	1.4
97.02893	7.3
97.10175	0.8
99.04449	2.9
103.03934	0.4
105.01865	7.3
105.07026	1.1
107.08603	0.9
108.04464	0.3
109.02885	6.0
109.06508	1.3
109.10149	0.3
113.09612	0.3
116.02136	0.3
117.01842	0.9
119.08575	0.9
121.10223	0.5
121.43931	0.3
123.08062	0.3
127.03921	10.6
127.88390	0.3
129.01837	2.3
129.07037	0.3
131.08578	0.5
132.10098	0.3
133.06447	0.4
133.10144	0.8
135.11702	0.3
137.05977	100.0
138.06288	1.3
139.03847	0.5
145.04959	5.1
145.10085	0.4
147.02867	1.4
147.08075	1.5
147.11690	0.5
151.07552	2.1
159.02882	3.2
159.08040	0.4
161.05978	28.8
161.09593	0.7
162.06398	0.5
163.06345	0.3
163.07486	1.8
172.95988	0.3
174.06738	0.8
175.07549	6.3
177.05469	0.4
177.09123	0.9
179.07031	3.6
181.04977	0.5
185.09596	0.6
187.07527	1.3
188.01944	0.3
188.08220	0.8
189.03944	1.0
189.09111	1.1
191.10622	0.5
199.07503	0.7
199.11223	0.5
201.05434	0.4
201.09081	1.0
203.07027	8.9
203.10587	2.5
203.18007	1.5
215.07014	0.4
215.10501	0.4
215.14261	0.6
217.12323	0.4
221.15366	45.7
222.15706	1.2
227.07036	1.5
227.10689	0.5
231.04932	2.3
231.13777	0.5
233.08168	0.4
239.16386	3.8
241.12207	0.4
241.15919	0.4
243.13774	0.8
245.08167	2.1
245.15375	18.8
246.15663	0.5
249.06075	0.4
257.15353	1.9
259.17050	2.3
263.16443	4.8
269.15433	0.7
283.16772	0.9
287.16425	15.7
288.16684	0.6
305.17484	2.1
311.16409	5.1
329.17484	5.3
349.09033	0.9
415.17258	0.7
433.18536	3.1
451.19702	0.5
497.33417	0.4
504.18671	1.6
504.25699	0.6
505.19873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05500	0.4
52.88960	0.3
53.03939	1.5
54.56154	0.4
55.01862	2.0
55.05500	2.2
57.03433	1.2
59.04994	0.4
61.02935	2.3
64.83548	0.3
68.99783	1.6
69.03425	8.6
69.07063	1.2
70.35926	0.8
71.04985	1.0
73.02897	1.8
75.63344	0.4
79.05480	0.6
81.03410	6.6
81.07065	2.5
83.01296	0.4
85.02901	20.7
87.00352	0.8
87.00830	9.1
87.29869	0.4
91.03955	0.7
91.05465	1.4
93.07031	0.6
95.08619	1.4
97.02893	8.0
99.04435	2.4
103.03918	1.1
105.01859	7.9
105.07018	1.3
107.08600	0.6
109.02878	6.2
109.06512	1.7
111.10836	0.4
116.01042	0.4
117.01851	0.8
119.08611	1.2
120.62290	0.4
121.10098	0.7
123.08060	0.5
127.03913	11.5
128.06248	0.4
129.01860	2.1
130.71991	0.3
133.10080	1.0
137.05971	100.0
138.06331	1.0
145.04964	5.1
147.02885	1.5
147.08054	1.0
147.11710	0.6
151.07529	1.9
157.06633	0.5
159.02870	4.2
159.08067	0.6
161.05971	29.5
161.09535	1.0
161.13307	0.5
162.06313	0.4
163.07545	1.2
163.14877	0.5
171.08049	0.6
174.06732	0.8
175.07532	5.1
177.09094	0.9
179.07036	3.3
187.07538	1.0
188.08208	0.5
189.03909	0.8
189.09108	0.7
199.07594	0.7
200.08199	0.4
201.05421	0.6
201.09108	1.0
203.07008	9.4
203.10606	2.0
203.18019	2.2
213.03812	0.4
214.09889	0.5
215.07129	0.4
215.14331	0.5
217.08594	0.6
217.12404	0.4
217.76964	0.5
221.15353	50.8
222.15700	0.9
227.07054	1.5
227.10719	0.6
229.08633	0.6
231.04996	1.8
231.13763	0.6
239.16414	3.1
241.15880	0.5
243.13885	0.5
245.08142	1.7
245.15358	20.9
249.06039	0.5
257.11502	0.4
257.15479	1.5
259.16879	2.0
263.16437	4.5
283.16956	0.6
287.16397	16.3
305.17654	2.1
305.60999	0.5
311.16400	5.0
329.17377	6.1
349.09140	0.8
418.72131	0.4
433.18701	2.3
470.17145	0.5
504.25470	0.6
505.22446	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
53.24311	0.6
55.01867	1.7
57.03436	5.4
59.84437	0.5
61.02914	2.4
67.05494	1.6
69.03429	6.5
69.07072	9.1
69.09260	3.1
69.09663	1.0
71.04980	0.8
72.72019	0.6
73.02917	10.9
79.05487	2.2
81.03409	3.1
81.07070	3.6
85.02909	13.9
85.03410	1.1
87.00835	3.9
89.46593	0.6
91.05467	1.5
93.07059	3.1
95.08611	4.9
97.02897	10.5
99.04424	0.9
105.01865	4.1
105.07036	4.7
107.04942	2.6
107.08588	2.7
109.02882	3.5
109.06507	1.8
109.10138	2.8
115.03940	5.7
119.08582	5.2
121.10123	2.4
123.11727	1.1
125.05984	3.1
127.03915	8.6
133.04948	1.6
133.10138	3.1
135.11691	0.8
137.05980	59.1
145.04944	6.4
147.11679	4.4
149.13219	1.0
151.07533	1.4
159.02835	1.8
161.05942	1.5
161.13232	2.6
163.06009	0.8
163.07532	0.8
174.45802	0.7
175.14803	2.1
193.12242	100.0
194.12497	1.0
199.06050	0.7
203.17947	19.6
205.12210	2.7
213.03816	0.6
217.12224	4.6
221.19017	12.9
229.12219	1.3
231.05009	2.4
235.13324	3.0
249.06128	1.0
259.13284	2.8
271.13168	0.9
289.14374	3.3
307.15430	1.1
319.15457	1.9
325.16403	1.2
355.17322	1.1
356.37766	0.8
505.20328	1.5
508.98755	0.8
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
53.03952	0.8
55.01866	1.2
55.05497	0.5
57.03436	4.8
61.02921	2.1
67.05504	1.9
68.99785	0.4
69.03426	8.0
69.07065	8.9
69.26830	2.3
71.01344	0.8
71.04990	0.6
73.02913	11.2
73.38870	0.3
77.03899	0.4
79.05483	2.2
81.03413	3.7
81.07043	4.6
83.08598	0.5
85.02902	13.3
85.03418	0.9
87.00818	3.5
91.03932	0.8
91.05470	1.8
93.07026	3.0
95.04952	0.5
95.08601	5.6
97.02891	10.7
99.04454	2.0
105.01866	3.9
105.07022	5.6
107.04959	2.9
107.08581	4.1
109.02894	3.6
109.06527	2.0
109.10152	4.2
111.11709	0.5
115.03910	6.8
117.01843	0.5
119.08575	5.3
121.10150	2.8
123.04411	0.5
123.11695	1.3
125.05987	2.9
127.03909	9.0
129.01862	0.8
129.07001	0.4
131.08543	0.6
133.04959	1.8
133.10101	3.3
135.05502	0.9
135.11714	0.9
137.05969	64.7
138.06310	0.9
141.69780	0.4
145.04953	5.8
145.10081	0.6
147.08035	0.5
147.11679	7.9
149.13275	0.9
151.07527	1.7
156.12196	0.4
159.02875	1.6
161.05957	2.0
161.13251	3.9
163.06090	0.8
163.07471	0.9
163.14841	0.8
175.07538	1.0
175.14838	2.1
176.93073	0.5
179.07054	1.1
193.12230	100.0
194.12553	2.5
201.16307	0.4
203.17940	19.1
204.18350	0.7
205.12245	3.2
217.12222	5.3
221.18997	10.3
222.19160	0.5
223.05978	0.7
229.12234	1.4
231.04915	1.9
231.13863	0.4
235.13287	2.6
241.06996	0.7
249.05974	0.7
259.13199	2.7
271.13260	1.1
283.13434	0.4
289.14365	2.9
301.13977	0.6
307.15506	0.5
319.15350	2.2
325.16431	1.3
342.35349	0.4
505.20389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01869	5.4
55.05505	4.2
57.03432	5.7
61.02936	5.3
67.05501	6.2
68.60551	2.0
68.99785	2.9
69.03423	34.9
69.07063	3.6
70.67508	2.9
70.67859	2.1
71.04989	6.1
73.02915	8.7
79.05476	3.5
81.03415	26.5
81.07066	18.2
85.02901	92.2
86.09272	2.0
87.00826	41.3
91.05450	5.1
93.07039	11.1
95.04990	2.7
95.08604	30.7
97.02887	39.6
99.04449	13.7
103.01471	2.1
105.01859	69.7
105.07030	20.0
106.25001	2.2
107.08598	16.4
109.02876	32.3
109.10135	14.9
115.03986	2.8
117.01826	2.4
119.08571	16.9
121.10157	16.4
123.11693	6.7
127.03902	67.5
129.01779	4.2
133.10121	19.0
135.11664	2.5
143.37912	2.4
145.04951	30.1
145.10091	3.2
147.11671	24.2
149.13269	2.4
159.02901	13.1
159.11621	2.7
161.13203	13.5
163.14813	6.1
169.80266	2.5
175.14835	5.5
189.16435	3.4
203.17943	100.0
213.03894	4.5
213.16319	2.6
215.17844	2.6
221.18977	46.5
231.04967	28.0
249.06007	7.9
311.20346	2.6
433.22202	3.8
451.23083	8.5
469.24411	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01862	1.6
55.05505	1.5
55.26450	0.5
57.03431	1.5
57.07046	0.5
61.02921	1.3
67.05499	5.1
69.03426	7.4
69.07050	2.8
70.69044	1.2
71.04988	0.7
73.02900	1.2
79.05481	3.5
81.03408	4.1
81.06568	0.7
81.07055	14.0
83.08620	1.4
85.02903	25.9
87.00831	12.7
91.05473	4.3
93.07040	10.4
95.08604	29.3
97.02888	8.9
99.04442	2.7
105.01864	41.1
105.06349	0.8
105.07028	15.1
107.08593	17.3
109.02870	6.1
109.10150	16.7
119.08582	11.2
121.10134	11.1
123.11687	4.9
127.03910	20.1
129.01802	0.7
133.10133	10.3
135.11685	1.9
145.04955	12.7
145.10081	0.7
146.05508	0.5
147.11679	20.6
147.64693	0.6
149.13228	0.7
151.66026	0.5
158.94757	0.5
159.02907	2.4
161.13248	7.8
163.14789	1.6
165.12749	2.4
175.14810	4.7
177.16356	1.7
189.03969	1.1
191.89122	0.5
197.26239	0.5
203.17941	100.0
204.18294	1.7
213.03932	2.0
213.94258	0.6
221.18991	20.4
231.03201	0.4
231.04990	16.1
249.06038	24.9
262.21469	0.5
311.19998	0.8
329.21103	0.7
415.21005	0.8
433.22113	1.1
451.23087	1.1
504.27765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01869	6.1
57.03437	5.4
57.17863	1.7
61.02921	5.1
67.05496	5.4
68.99818	3.0
69.03432	15.9
69.07066	12.4
70.61464	3.2
73.02919	16.2
73.29599	1.5
74.09021	1.7
79.05491	4.8
81.03415	9.7
81.07061	14.3
85.02897	37.2
86.13139	1.8
87.00810	12.5
91.05478	5.0
93.07040	12.0
95.08598	21.3
97.02901	24.9
99.04463	8.3
105.01860	24.2
105.07016	16.1
107.04936	2.7
107.08612	13.4
109.02881	16.3
109.06517	2.7
109.10165	15.1
115.03943	6.8
119.08575	21.3
121.10152	6.4
123.11693	4.1
127.03908	32.5
133.04942	3.4
133.10132	13.0
135.11703	2.8
136.80035	1.9
137.05972	61.9
145.04947	19.0
147.11665	20.4
156.44087	1.8
159.02870	9.4
161.13260	8.6
163.14835	3.6
175.14862	10.8
189.16486	1.9
193.12231	100.0
194.12524	3.0
197.13663	1.8
203.17944	75.7
203.19852	3.8
205.12238	2.8
213.04013	2.3
217.12242	5.8
221.19003	57.0
229.12247	2.0
231.04985	7.3
235.13350	3.0
249.06274	2.8
289.14313	4.1
325.16513	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71286	2.2
53.03939	7.1
55.01861	8.0
55.05505	5.5
57.03420	5.1
57.07087	2.5
61.02924	3.9
67.05500	13.6
69.03429	25.0
69.07056	8.1
69.30663	5.8
69.31050	4.6
71.04980	4.7
73.02887	5.2
78.50613	2.2
79.05499	14.2
81.03416	27.4
81.07059	34.4
83.08585	2.7
84.61565	2.5
85.02900	60.5
87.00835	25.0
91.05470	13.8
93.07040	26.0
95.04971	4.2
95.08600	46.4
97.02906	27.8
99.04441	13.2
105.01859	33.3
105.07028	37.6
107.08591	42.9
109.02869	23.2
109.10148	34.9
119.08584	29.1
121.10151	13.3
123.11713	11.9
125.09601	2.8
127.03909	46.7
129.01819	2.7
133.10114	23.5
135.11652	8.0
145.04950	20.4
145.10130	2.2
147.11685	37.3
149.13210	4.7
159.02869	11.9
161.13188	11.9
163.14787	11.9
175.14799	8.0
189.03899	3.1
201.16374	2.5
203.17946	100.0
203.19872	4.8
204.18312	4.2
221.18996	42.9
231.04987	10.8
249.06024	4.0
361.33005	2.8
461.21310	3.4
504.18839	3.1
505.20389	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01885	2.0
55.05505	2.5
57.03445	3.7
61.02927	3.2
67.05508	11.6
69.03425	16.3
69.07062	8.7
69.43464	3.6
69.43826	3.7
71.05003	2.0
73.02904	3.6
78.48813	1.5
79.05486	6.3
81.03418	10.4
81.07056	24.0
83.08628	2.8
85.02905	36.4
85.03410	2.3
85.64298	1.8
87.00823	14.7
91.05489	7.7
93.07047	16.8
95.04981	2.4
95.08604	32.8
97.02902	23.6
97.10158	2.7
99.04465	5.6
102.02132	1.6
105.01871	18.4
105.07027	26.3
107.08593	26.6
109.02887	11.5
109.10162	22.2
111.08089	1.6
112.78658	1.6
115.03960	2.6
119.08569	17.0
120.75676	1.8
121.10144	19.1
123.11720	7.8
124.85102	1.5
127.03899	25.9
131.08549	2.7
133.10126	12.5
134.36246	1.9
135.11694	5.7
137.05975	5.5
145.04945	13.3
145.10159	5.5
147.11678	27.9
149.13242	5.4
151.11130	1.8
157.10101	2.2
159.02876	5.7
159.11755	4.0
161.13303	11.5
163.14799	24.3
165.12756	9.6
171.11792	2.2
175.14906	2.6
177.16357	12.3
180.70656	1.7
189.16406	3.5
193.12236	9.9
201.16434	5.0
202.16719	2.2
203.17957	100.0
204.18364	3.1
205.19452	2.7
213.16415	1.7
219.17488	3.3
221.19019	45.2
231.04990	8.4
249.06122	4.7
311.19958	2.4
329.21030	1.7
384.51663	1.7
433.22321	4.8
451.23126	6.0
459.84796	1.7
469.24316	2.7
469.33228	3.3
477.14279	1.8
505.20306	4.8
514.68439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05510	3.8
57.03415	1.2
57.07080	1.8
67.05502	12.5
69.03428	7.9
69.07064	8.5
69.53577	2.9
71.04996	1.9
73.22565	0.8
79.05491	6.9
81.03414	5.0
81.07053	17.9
83.04974	1.1
83.08614	2.5
85.02899	22.5
85.03415	1.3
87.00824	9.5
89.56509	0.8
91.05465	14.0
93.07041	16.5
95.08601	31.5
97.02898	9.8
97.10218	1.0
99.04456	2.9
105.01863	29.2
105.07024	47.2
107.08590	27.2
108.04475	1.0
109.02874	6.0
109.10150	24.6
117.07037	1.4
119.08570	26.5
121.10143	11.8
123.11707	5.7
127.03919	20.3
129.01782	1.0
133.10124	22.6
135.11674	3.7
145.04951	9.0
147.11679	56.9
148.12125	1.7
149.13268	1.2
159.02893	1.7
159.11632	1.0
161.13245	13.5
161.14507	1.1
172.77722	0.8
175.14809	10.5
178.28317	0.9
201.16394	1.7
202.03998	1.0
203.17941	100.0
204.18257	1.9
206.05719	5.2
208.07307	0.9
221.08098	9.8
221.11633	1.3
221.19043	5.9
231.04997	9.4
238.21591	1.5
239.09161	3.6
243.86272	0.8
249.06104	10.4
293.13876	1.2
415.21231	1.3
433.21902	1.1
451.23492	1.7
504.25800	4.1
505.22379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24349	3.5
55.05504	15.9
57.07066	14.5
65.03935	3.6
67.05508	21.2
69.07073	11.7
71.08637	6.3
71.44498	5.4
72.15974	3.2
74.38676	3.2
79.05489	13.9
81.03408	28.1
81.07061	20.5
83.08624	12.3
89.06026	8.6
91.05498	12.8
93.07032	10.6
95.04959	16.8
95.08622	13.1
97.06490	4.5
97.10142	4.3
105.04491	3.3
105.07007	5.9
107.04974	6.1
107.08584	8.6
109.10136	11.8
109.62617	3.6
111.04454	5.7
111.08111	4.6
119.08611	6.0
121.06506	4.9
121.10177	9.4
123.04432	21.4
125.05991	91.6
131.08582	4.2
133.10081	6.9
134.90030	3.7
135.11620	5.9
137.05992	17.6
139.03943	15.2
141.05444	7.9
149.05968	4.4
151.07558	9.4
153.05470	100.0
163.03960	5.6
163.07513	16.6
167.03410	4.9
167.07031	19.5
168.04170	6.4
169.04935	13.2
177.09119	15.1
179.06972	7.3
183.06598	3.4
193.08606	7.8
193.12260	11.6
210.36275	3.4
214.97710	3.4
329.21027	3.7
371.02023	4.5
407.33569	14.2
437.23148	13.1
455.24274	44.5
469.25922	25.9
487.26898	31.9
487.33551	5.2
503.37775	5.0
504.37689	30.1
505.38312	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	504.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85615	1.2
51.48058	1.2
55.05510	1.4
65.03948	1.4
66.98279	1.2
67.05502	4.4
68.99789	4.9
69.07032	1.5
69.95275	3.9
79.05470	1.6
81.07050	5.5
83.08656	1.5
93.07061	2.2
95.04964	3.4
95.08604	3.6
97.06544	2.6
103.05424	1.6
107.04941	3.9
109.06506	1.4
111.04447	3.1
121.06533	4.1
123.04427	20.5
125.05984	40.2
135.08084	2.7
137.05978	23.7
137.10307	1.7
138.88382	1.2
139.03867	1.8
140.35435	1.1
149.05974	84.1
153.05469	56.4
161.05963	4.5
163.07539	38.2
163.08882	2.6
164.11104	1.2
169.10654	1.3
175.07549	2.6
177.09128	9.0
179.07004	4.1
193.08614	4.3
249.26691	1.5
301.21582	2.3
409.23599	4.0
416.02826	1.5
423.25412	9.0
441.26367	100.0
442.26636	3.6
504.30103	17.1
505.25467	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.4
55.16232	1.8
57.07076	2.9
58.19067	1.9
64.23228	1.8
64.79389	1.8
65.03946	2.8
67.05509	7.9
69.07070	2.4
69.21602	12.8
71.08623	2.7
74.54769	1.9
79.05512	5.8
81.07056	6.2
88.74577	2.0
89.06046	4.8
91.05503	4.7
93.07024	1.7
95.04979	4.9
95.08617	5.1
97.06561	5.1
103.05454	2.2
105.07027	5.0
107.04949	6.9
109.06503	4.1
109.10139	2.4
111.04443	3.7
115.15429	2.5
117.07037	4.0
121.06525	10.5
123.04459	11.6
123.08002	2.4
125.05991	42.0
129.94211	2.2
133.06522	3.1
135.08060	6.6
137.05986	28.3
138.06337	6.6
139.03900	9.5
139.07549	6.7
140.04712	14.9
141.04947	4.5
146.07260	2.7
147.04366	2.5
147.08058	5.3
149.09650	2.8
151.07542	42.0
152.07899	4.8
153.05469	56.7
153.09116	2.4
154.06047	5.7
155.07021	2.9
161.05981	3.8
162.06839	3.6
163.07562	10.3
165.09126	20.5
167.07034	10.3
168.04187	2.1
168.07474	2.6
169.04955	13.6
170.05405	2.3
176.08363	2.8
177.09117	80.4
178.09535	2.5
179.06985	5.5
183.06487	3.5
191.10666	33.6
193.08597	7.6
317.20993	1.9
329.24692	3.1
331.26306	2.7
401.34100	3.1
407.33627	6.5
440.25122	3.7
451.28174	4.5
469.29599	100.0
470.29626	3.7
472.27902	9.7
473.28806	2.9
487.26910	4.3
504.30304	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	504.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.1
57.07051	0.8
65.03934	1.7
65.10502	0.7
67.05505	4.4
68.99777	0.8
69.07087	1.3
69.23578	2.7
69.23986	1.7
79.05505	3.4
81.07083	3.4
81.35769	0.7
82.04205	0.9
83.08635	1.2
85.02876	0.9
91.05491	3.3
93.03379	0.8
93.07063	1.8
94.72771	0.8
95.04991	2.1
95.08629	1.9
97.06542	3.3
103.05488	3.6
105.04567	0.9
105.07026	2.3
107.04954	9.3
107.08617	1.0
109.06551	1.6
109.10177	0.8
111.04482	1.8
113.02396	1.0
117.07057	2.3
121.06517	6.5
123.04420	4.3
123.08009	1.4
125.05997	38.8
131.04962	1.6
133.06538	2.7
135.04460	0.9
135.08049	4.5
137.05980	29.7
137.07010	1.8
139.03915	2.3
139.07553	2.5
141.01831	2.1
145.06516	1.4
147.08093	1.6
149.05995	2.8
149.09697	2.5
151.07550	20.2
153.05473	44.5
161.06007	2.7
162.06807	1.2
163.07550	85.0
164.07831	1.2
165.05611	0.8
167.07011	1.7
173.04478	4.0
175.07536	3.9
177.09117	35.2
178.09421	0.9
179.07071	4.2
189.09093	1.8
191.10672	4.5
193.08588	5.4
241.08736	1.1
257.08139	1.1
271.09616	1.0
315.23224	3.4
331.22726	1.0
349.44504	0.8
423.25262	3.1
437.26483	7.3
455.27930	100.0
456.28177	6.4
469.29956	1.0
505.25659	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	504.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
57.07076	44.0
59.05002	4.8
63.89393	0.5
67.05508	1.3
69.03427	2.3
69.07066	1.0
71.08624	1.0
71.43067	0.5
73.02911	1.8
73.06552	2.1
77.03942	0.6
79.05492	0.9
81.07054	0.9
83.04956	0.5
83.08618	0.5
86.86446	0.5
87.04468	100.0
88.04002	0.6
89.06030	9.4
91.05473	7.2
93.07047	8.1
95.04971	2.9
95.08609	1.3
103.05455	2.6
105.04481	1.4
105.07027	1.5
107.04977	0.6
107.08614	2.5
109.06500	1.0
113.06028	0.9
113.13303	1.2
117.07020	1.2
117.09140	4.0
117.10965	0.5
118.07796	2.4
119.04940	2.6
119.08580	3.4
121.06506	31.7
121.10088	1.0
131.07034	10.4
133.06468	0.9
133.08589	5.2
133.10107	1.0
135.08052	6.1
135.11693	1.6
141.31796	0.5
145.06497	3.2
147.08047	7.0
149.09605	2.7
150.06767	1.6
157.08661	2.0
159.11649	1.1
161.09587	2.7
163.07520	4.0
163.11229	1.1
165.09111	10.4
171.08028	0.6
175.09657	4.1
177.11284	1.1
177.12759	1.1
179.10684	3.1
189.09146	2.0
191.10759	1.5
207.10164	7.3
209.11667	4.7
219.12347	3.7
231.17461	0.6
233.11711	2.8
233.19028	10.8
247.20621	5.1
251.12770	9.9
253.14336	1.1
253.23595	0.5
257.18918	4.0
271.15341	8.6
275.20041	7.2
277.14395	0.9
277.21625	9.4
277.24457	0.6
289.21667	1.1
291.23322	1.5
293.74084	0.5
319.22656	7.4
321.24292	5.1
332.21606	0.5
339.18042	5.4
345.24225	1.2
357.19000	4.9
363.25217	7.6
375.19958	0.6
451.30576	5.3
469.32022	0.7
486.34305	6.3
504.36075	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	504.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	13.3
61.02934	2.7
69.07091	1.2
71.25476	1.2
83.08604	1.3
93.23627	1.2
116.42963	1.1
117.05480	15.8
119.08590	1.7
119.62952	1.1
137.09604	2.9
147.08052	2.2
159.06531	100.0
160.06828	1.5
165.09105	22.7
177.69423	1.3
207.10168	32.3
293.28406	2.5
310.61465	1.1
409.33240	1.3
487.37375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.6
57.07058	1.4
67.05499	4.8
67.24894	1.3
69.07058	4.4
69.46965	5.6
71.08634	2.1
81.07035	3.1
83.08593	1.9
89.06024	4.4
93.07014	1.7
95.08625	3.7
96.62933	1.3
98.22755	2.9
98.23356	2.7
109.06503	1.9
111.69404	1.2
123.04420	1.3
123.08070	6.7
125.05988	2.7
137.05969	20.4
139.07530	1.7
149.05965	2.4
151.07535	100.0
153.05449	3.4
162.75446	1.3
163.07547	4.3
163.62354	1.5
166.48729	1.2
168.04193	1.5
177.09076	9.9
191.10641	5.9
195.89532	1.3
208.53264	1.5
219.13766	2.8
221.15411	2.5
331.26389	3.6
345.27930	16.8
401.34152	4.9
407.33746	6.5
415.35730	27.1
457.05573	1.4
504.20813	2.3
504.33807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.5
57.07073	2.2
61.79949	1.7
67.05512	3.8
69.07077	9.7
71.44621	1.7
72.90238	1.2
78.28548	1.5
79.05511	1.5
81.07056	3.3
83.08629	4.2
87.04485	3.5
95.08599	3.5
96.79240	1.5
97.10193	2.8
97.81393	1.6
104.07114	4.5
107.27563	1.6
109.06529	3.0
109.10177	1.8
123.04416	6.2
135.04446	2.3
135.08066	2.3
137.05986	100.0
138.06406	1.8
149.05983	6.6
151.07559	4.9
163.07530	16.5
166.21677	1.4
177.09105	18.9
191.10704	6.1
195.00296	2.1
205.12300	5.0
207.13773	2.8
208.65376	1.5
219.13831	2.2
261.18549	5.7
275.20139	3.0
331.26300	36.5
371.45270	1.7
401.34164	32.2
445.75955	1.6
504.37390	2.9
505.25540	8.8
529.30634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	23.9
57.02459	1.4
82.98198	0.9
83.38646	1.0
87.31348	1.1
98.97580	81.1
103.62420	1.1
115.00708	1.5
116.98618	23.7
124.99145	3.4
125.27682	1.1
127.00749	1.5
134.99677	4.3
141.02196	1.8
143.00165	3.9
145.01706	3.5
155.03828	7.6
158.99654	20.3
159.03329	1.4
161.01225	1.3
163.02759	2.3
166.48088	1.1
173.04874	4.2
177.00722	11.8
181.05328	3.6
184.00597	1.1
185.04813	1.6
193.05426	2.3
195.06996	2.5
199.06448	5.5
201.04306	1.8
207.06969	1.8
211.06413	11.4
213.07927	5.7
219.01776	2.5
225.05937	2.0
225.07980	25.6
229.07463	16.5
231.09044	5.1
237.02824	1.4
239.09514	4.9
241.07640	1.8
243.09053	10.1
247.08501	3.0
249.08017	2.2
253.07411	5.2
255.09146	1.6
255.12694	2.0
257.10641	3.3
265.11102	12.2
267.09039	15.4
271.08514	10.6
283.12125	19.2
285.10040	6.0
301.13159	10.2
304.31052	1.1
309.10059	1.4
319.14282	1.2
325.13202	69.6
326.13568	1.9
327.71307	1.3
333.07907	35.5
335.09436	16.5
337.16928	1.3
343.14301	28.1
366.15707	2.5
385.15347	14.1
445.17548	21.2
463.18527	21.8
505.22751	100.0
506.21945	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	505.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87608	0.8
56.96568	14.4
61.73854	0.7
70.34160	1.2
98.97585	40.8
106.98138	1.1
110.97571	1.4
112.47586	0.7
115.00747	1.0
116.98626	14.3
124.99100	2.3
127.00671	1.7
128.98598	0.8
134.99673	2.1
136.12444	0.8
141.02260	1.4
143.00159	1.7
145.01701	2.4
155.03769	4.5
158.99652	11.0
159.03337	2.2
161.01271	1.5
163.02812	1.4
173.04851	2.6
177.00706	6.1
181.05299	2.7
187.02834	1.3
192.52615	0.8
195.06848	0.9
195.13573	1.1
197.04834	1.1
199.06403	4.5
201.04254	1.4
207.06924	1.5
211.06375	5.7
213.08005	2.6
219.01851	1.6
225.07988	14.6
229.07472	10.4
231.09180	2.4
237.02820	0.9
239.09515	3.0
243.09024	6.4
247.08434	1.6
248.75214	0.8
249.08014	1.4
253.07530	4.4
253.09866	0.8
255.12744	1.4
257.10648	2.5
265.11014	5.7
267.09064	8.9
271.08554	6.2
283.12143	8.6
285.10080	2.6
301.13196	6.6
307.12183	1.8
325.13226	36.1
326.13284	0.9
333.07922	39.9
335.05429	1.2
335.09454	17.5
343.14273	17.0
366.15881	1.1
385.15375	9.3
445.17456	12.9
463.18515	8.9
505.22891	100.0
506.22263	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44540	0.6
61.32315	0.6
63.14396	0.7
66.91629	0.6
85.02899	0.6
90.10007	0.6
107.15382	0.6
115.46875	0.5
139.03915	1.2
195.13536	0.6
201.03726	1.3
251.40091	0.7
269.78680	0.6
273.91772	0.6
333.07907	28.7
335.09476	14.4
335.13242	1.1
394.01743	0.6
460.19122	0.8
505.22577	100.0
506.22980	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19622	0.3
61.95293	0.3
69.94991	0.6
81.07090	0.3
85.02950	0.3
88.23190	0.3
93.07050	0.4
95.01147	0.3
98.23430	0.3
98.97551	0.4
103.43424	0.3
107.13778	0.3
133.10188	0.3
137.05946	0.3
137.23450	0.3
139.03860	0.5
144.92043	0.3
150.12535	0.3
185.04161	0.4
201.03664	0.5
203.05316	1.1
213.08144	0.3
239.09198	0.3
259.07867	1.7
275.07874	0.5
280.18958	0.3
299.14716	1.3
325.16400	0.8
331.10037	1.1
343.17157	1.0
363.04050	0.6
373.14929	0.4
443.18924	1.2
445.17090	0.3
447.14224	0.3
461.14249	0.5
461.19922	15.8
487.21539	7.6
505.22574	100.0
506.22830	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	505.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43134	0.7
57.07076	0.8
70.51158	1.6
93.07033	0.7
116.23822	0.7
125.05992	1.2
137.06029	1.0
149.05994	2.5
153.05457	1.8
163.07492	1.0
187.23726	0.8
189.31133	0.7
194.71550	0.7
198.86433	0.7
211.09674	1.1
234.71059	0.7
315.43576	0.9
442.26791	3.2
505.25598	100.0
506.26053	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	505.2563
Annotation	Brosimone H
Peak:m/z	Relative Intensity
55.05516	0.7
57.03435	0.6
64.39361	0.3
65.11150	0.3
67.05513	3.7
69.07081	0.4
79.05497	1.5
79.53858	0.4
81.07058	2.1
83.08598	0.4
91.05461	1.1
93.07041	1.4
95.04939	0.4
95.08609	1.4
96.67849	0.5
96.94561	0.4
98.23445	1.4
98.98485	0.6
105.07040	1.2
107.08620	0.9
107.09341	0.4
109.10149	2.6
114.58860	0.4
119.08591	1.6
121.10130	0.7
123.08006	0.5
131.08565	0.5
133.10117	1.0
145.10117	0.6
147.11708	1.1
161.13235	0.8
173.11743	0.6
217.19582	0.6
229.14336	2.0
235.20546	0.7
241.19685	0.6
259.20667	1.2
264.01184	0.5
270.13184	0.4
333.24136	1.6
487.34085	0.5
505.25586	100.0
506.26028	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	505.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
62.12830	0.5
69.11091	3.8
76.19260	0.6
98.23522	1.1
98.98476	1.0
105.07049	0.5
121.54431	0.6
143.81187	0.5
177.52658	0.6
179.14374	0.9
181.05084	0.9
181.08624	0.7
196.07365	0.8
211.09564	0.8
236.58554	0.7
263.36197	0.6
301.95468	0.6
333.27997	2.2
407.31628	1.5
441.06830	0.5
456.75974	0.6
458.74426	0.6
463.17755	0.9
495.58279	0.6
505.29239	100.0
506.29477	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	506.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01874	3.8
57.03181	1.1
57.03437	11.6
61.02921	4.6
62.21468	1.0
64.88286	0.9
65.03926	3.1
66.29626	0.9
67.05491	1.1
68.99789	3.4
69.03071	1.6
69.03432	24.1
69.18616	6.1
71.01366	1.7
73.02918	18.7
77.64758	1.1
79.65374	1.0
81.03421	14.4
83.01295	1.1
83.04964	4.1
84.39848	0.9
85.02906	53.5
87.00831	20.1
87.04462	1.2
91.05482	100.0
95.04976	1.5
97.02261	1.4
97.02892	28.5
98.03204	1.2
98.23474	1.5
99.04467	7.0
99.69361	1.1
103.03940	7.6
105.01150	1.5
105.01868	31.0
105.07034	2.3
107.04996	1.1
108.04516	1.3
109.02877	18.5
110.03657	1.0
111.00811	1.2
111.04460	3.4
115.03933	7.0
117.01846	1.3
117.07029	2.3
123.04433	3.0
125.02357	4.6
127.03919	40.9
129.01842	3.8
129.05475	2.1
131.08525	1.1
132.06580	1.4
133.06470	2.1
139.03894	3.2
145.04955	12.0
145.06496	1.9
147.02943	2.4
147.04500	1.2
149.05931	1.7
150.07614	4.5
151.03911	4.1
153.05470	1.4
157.06438	2.2
159.02913	4.8
167.03426	5.1
169.04994	2.8
171.02956	2.0
171.07994	1.3
175.03940	1.0
175.07556	1.9
177.05412	1.2
181.04938	3.5
181.06451	1.8
181.61124	1.0
187.06029	2.1
189.03949	14.2
193.04927	2.0
195.06541	3.4
199.06012	2.4
199.07607	2.7
205.05034	1.3
213.03905	4.3
217.06924	2.4
217.08667	3.5
223.05997	7.4
223.09546	1.2
231.04982	12.7
233.06491	1.5
235.09703	1.6
241.07036	10.1
241.10690	1.2
249.05904	5.8
259.08347	1.2
273.06039	12.2
303.08368	1.2
321.09641	5.4
327.07086	6.3
339.10910	5.7
345.08151	3.8
363.09225	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	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01869	3.4
57.03432	11.7
61.02932	4.5
65.01300	1.2
65.03935	2.6
68.99786	2.1
69.03428	25.4
69.78575	1.6
69.78923	4.4
71.01357	2.6
71.04978	2.1
73.02926	18.7
75.56495	1.5
76.67897	1.4
81.03422	11.8
83.04986	3.5
85.02901	57.3
87.00832	20.2
87.04449	1.8
91.05479	100.0
92.05852	1.4
95.04984	2.3
95.95210	1.2
97.02888	31.0
98.22799	1.5
99.04457	7.3
103.03925	7.4
105.01863	32.0
105.02541	2.4
105.07016	2.6
109.02874	18.3
111.04449	3.1
115.03944	7.2
123.04397	3.3
125.02355	6.3
127.03909	44.8
129.01833	3.7
129.05444	1.6
129.07013	2.4
132.06657	1.5
133.06477	2.1
139.03912	4.2
145.04973	11.8
145.06482	2.4
147.02861	4.1
150.07620	4.3
151.03900	4.5
157.04938	1.7
159.02893	2.7
165.05484	1.4
167.03395	16.5
169.16463	1.4
171.02829	1.7
171.08061	3.4
175.07558	2.1
179.10736	1.6
181.04990	4.6
181.06482	1.8
187.05992	1.5
189.03911	13.5
195.06567	4.8
199.05977	2.6
199.07631	2.4
204.52400	1.3
205.04938	2.5
213.03853	7.9
217.08618	3.8
223.05962	7.0
231.04985	10.7
233.06680	2.1
235.09653	2.7
241.07065	10.1
249.06042	6.1
254.23114	1.4
273.06006	10.3
321.09805	3.4
327.07129	5.1
339.10806	3.9
345.08578	2.0
363.09177	2.6
381.35303	1.5
389.93799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03434	6.4
61.02917	1.6
69.03425	6.0
69.24673	2.6
71.01355	0.9
71.08633	4.1
73.02917	14.4
78.25047	0.5
80.58920	0.4
81.03399	1.0
85.02901	8.9
93.03372	0.5
95.08586	0.5
97.02893	10.5
101.59978	0.4
105.07047	0.5
107.04993	0.5
109.02849	0.7
110.03637	3.5
115.03912	8.9
125.05986	30.0
127.03944	2.9
133.04958	3.1
137.06012	0.6
145.04913	3.4
149.05980	1.3
150.07594	0.7
152.02541	0.4
163.06023	0.8
163.07440	0.5
172.04468	0.5
193.05020	0.6
195.13794	100.0
196.14137	2.0
203.18040	0.6
207.13794	2.4
216.05309	0.5
219.13794	6.2
223.06029	1.3
231.13774	1.5
233.15363	0.5
237.14880	3.6
241.07088	0.8
259.08032	0.9
261.14868	3.5
273.14810	1.5
291.15894	3.4
303.15851	0.9
309.16971	0.6
321.16928	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	506.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67090	1.0
53.03916	1.2
54.68712	0.9
55.01886	1.6
55.05503	4.5
57.29586	1.2
61.02937	1.1
65.03947	1.0
67.05504	4.8
68.99799	1.4
69.03423	3.6
69.07070	2.3
69.33804	4.6
71.05003	1.5
79.05501	3.6
81.03417	1.9
81.07057	10.5
83.04961	1.6
83.08611	1.7
85.02904	6.3
87.00854	1.4
91.05489	2.7
93.07034	1.9
94.68582	1.0
95.08604	6.8
97.02898	3.7
97.06506	1.4
100.11279	1.5
105.07032	3.3
107.04951	2.2
107.08601	1.7
109.02891	2.6
109.10175	1.4
111.04440	24.0
119.04936	4.7
119.08569	3.3
121.10139	5.0
123.04411	11.1
123.11708	1.5
127.03921	3.5
133.06493	5.3
133.10170	0.9
137.05981	10.0
138.06328	3.7
139.03896	100.0
140.04253	1.4
145.06425	1.2
147.04407	8.9
147.08015	1.4
147.11673	2.8
149.05946	5.6
151.03877	1.8
151.07553	2.8
153.05515	2.6
153.09058	1.0
155.03387	1.6
159.04494	1.3
159.08078	1.1
161.05962	14.0
162.13376	0.9
163.03893	4.0
163.07552	8.8
164.07886	1.5
165.05467	34.6
167.07140	1.1
173.05992	4.0
175.07561	6.3
177.05489	2.8
177.09120	3.4
177.46835	1.0
179.07018	45.7
180.07425	1.3
186.96455	1.0
187.07504	1.5
189.09145	3.6
191.07027	14.8
193.08640	3.5
194.51660	1.0
198.01779	1.1
201.76546	1.0
205.04880	1.8
205.08647	2.2
205.12271	3.2
207.10223	1.4
217.08623	1.3
241.14336	1.4
245.15523	2.1
255.13811	3.5
265.18094	2.4
267.15979	2.5
268.08148	1.2
273.14743	12.2
291.15881	55.3
309.16940	52.3
310.17120	2.3
327.17999	51.9
357.16815	2.1
375.17871	1.7
506.21600	1.2
507.22186	4.8
529.12653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
55.01873	10.5
55.05504	9.1
56.01749	3.6
56.02695	3.7
57.03447	6.7
65.58347	3.3
67.05502	20.8
69.03437	26.3
69.07079	18.2
70.60727	6.0
70.61043	4.9
71.04987	4.8
73.02927	4.5
79.05515	4.1
81.03416	27.3
81.07050	42.6
83.01344	3.8
83.08622	7.1
85.02905	100.0
87.00828	44.6
87.04474	4.2
91.05447	5.3
93.07046	13.7
95.08604	68.8
97.02894	41.9
97.10190	3.7
99.04459	17.8
103.93226	3.6
105.01867	65.0
105.07006	4.5
107.08591	17.8
109.02875	35.5
109.10150	45.6
111.11755	6.2
115.03939	3.6
119.08542	5.2
121.10162	14.8
123.11738	17.4
127.03917	82.7
129.01859	7.9
133.10117	5.6
135.04427	9.4
135.11720	24.9
145.04951	41.0
149.13266	46.8
151.14912	4.5
159.02873	11.3
189.03957	5.3
205.19505	50.8
223.20584	9.4
225.93605	3.8
231.05025	28.6
249.06076	12.2
298.90720	3.8
331.22632	5.7
368.43564	3.9
394.29205	3.9
435.23926	5.2
449.34491	5.1
453.24564	5.5
463.22937	6.2
506.20856	6.0
507.22043	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60680	0.9
53.03946	4.3
55.01871	4.7
55.05522	2.1
57.03435	7.2
61.02927	5.5
67.05502	4.6
68.99802	2.8
69.03431	33.9
69.07066	2.2
70.27245	1.8
71.04996	3.5
71.28642	1.1
72.87223	1.0
73.02917	3.4
79.05498	2.6
81.03418	18.7
81.07053	10.5
83.01336	1.5
83.08598	1.4
84.69560	1.1
85.02908	100.0
87.00830	43.6
90.33918	0.9
91.03958	2.3
91.05479	1.2
93.07056	5.3
95.08610	11.5
97.02266	1.3
97.02895	24.6
99.04465	12.6
101.02395	1.5
103.03957	1.7
105.01871	66.3
105.07083	1.5
107.08604	4.2
109.02887	32.2
109.10159	10.9
111.11678	1.3
115.03930	4.0
117.01846	1.6
121.10144	3.9
123.02966	1.0
123.11713	3.9
125.05988	2.9
127.03918	81.2
129.01822	5.0
133.04991	1.5
135.11682	5.1
145.04965	27.9
147.02927	2.7
147.41763	1.1
149.13286	11.3
159.01846	1.0
159.02939	8.8
163.14871	1.7
189.03952	2.9
195.13818	7.6
203.17981	2.7
205.19609	10.6
213.03935	5.4
219.13936	1.5
221.19006	1.3
223.20586	6.1
231.04997	38.3
231.07312	2.2
249.06093	10.0
435.23587	1.4
449.41547	1.1
453.24847	4.4
471.25833	2.4
506.20590	1.8
507.22141	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	506.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85907	0.9
51.87052	0.8
52.68563	0.8
55.05511	7.2
55.48621	0.8
57.03432	2.4
57.07073	4.6
57.82658	0.8
63.92760	0.8
67.05510	7.3
69.03435	1.3
69.07066	12.0
71.04988	3.6
71.08617	1.3
79.05489	5.5
81.07061	15.6
83.04960	0.8
83.08617	5.6
84.08952	1.7
85.06542	2.1
89.06040	1.8
91.05470	5.5
92.05762	1.0
93.07042	15.5
95.04975	4.6
95.08606	22.9
97.06534	3.2
97.10188	2.9
98.10497	1.0
102.66730	0.9
105.07034	12.9
107.08586	24.6
108.08865	1.2
109.06513	3.6
109.10159	19.4
111.08125	2.2
111.11728	3.5
119.08574	13.0
121.10141	100.0
122.10452	2.0
123.08087	3.3
123.11705	18.1
125.09637	1.7
131.08551	5.2
133.07599	1.7
133.10107	15.7
135.08064	2.9
135.11688	22.5
136.12102	0.9
137.05867	0.9
137.09636	3.2
137.13242	7.2
139.11153	8.7
143.08588	1.7
145.10152	5.4
147.11684	19.7
149.09615	3.4
149.13214	5.3
151.11179	3.0
157.10062	1.5
158.10934	1.9
159.11697	3.5
161.09608	2.1
161.13268	3.7
163.11121	1.8
163.14783	11.1
165.12732	5.3
167.10683	3.7
170.35739	1.0
171.11720	1.9
173.13258	13.3
175.11203	1.2
175.14850	3.7
177.16415	1.6
181.12201	1.1
185.13333	1.0
187.14841	2.7
189.12775	1.1
189.16405	1.8
191.12563	1.9
191.14293	36.2
191.17941	2.4
193.12263	1.3
195.00296	36.9
196.00630	6.0
199.14946	1.1
203.17934	1.7
209.15361	12.3
211.13225	2.3
215.18053	1.7
217.19543	2.6
219.13864	1.0
227.16388	3.6
231.17447	1.7
233.19005	2.1
235.20528	2.1
243.21143	1.3
245.18987	17.5
255.15903	76.5
256.16260	1.1
258.42380	0.8
259.20309	1.0
259.24130	1.5
261.18607	4.2
261.22128	11.1
285.22256	0.9
287.24008	0.9
289.21512	6.6
312.26120	4.7
347.25882	1.4
407.32959	3.2
425.28494	1.2
425.34180	17.6
427.32071	1.4
435.32483	1.9
443.35208	14.8
453.33514	6.3
471.34671	28.2
472.35220	1.0
488.30423	1.5
489.35709	2.1
506.25964	6.2
506.38705	4.3
507.29321	13.4
522.64832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1634
Annotation	Pannellin
Peak:m/z	Relative Intensity
55.01852	3.6
66.24515	1.7
67.05481	3.9
69.16349	4.4
69.16758	6.6
73.97306	1.7
74.04124	1.6
81.07031	3.1
95.08569	3.2
95.16714	1.7
137.05965	3.7
147.11548	2.1
151.07498	4.3
163.07576	3.2
213.12402	2.0
233.60287	1.7
347.74335	1.8
453.73593	2.6
507.16040	100.0
508.15985	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	507.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01873	2.2
55.05508	3.3
57.02147	0.5
57.03434	4.5
59.04995	0.7
61.02929	7.7
68.05022	3.8
69.03062	1.0
69.03429	16.6
69.05780	0.7
69.23759	3.1
70.06586	0.9
71.04988	1.4
71.64733	0.5
73.02930	2.7
81.03419	7.5
84.60129	0.4
85.02905	83.8
85.92173	0.4
87.04478	2.3
91.03946	3.7
96.04479	0.5
96.08123	2.6
97.02895	24.3
99.04443	3.2
103.03981	0.6
109.02875	6.6
109.96046	0.6
121.10131	0.5
122.08411	1.2
123.05508	0.8
127.03916	19.2
133.07616	1.4
137.10736	26.8
139.03810	1.0
140.04214	0.6
144.05603	0.5
145.04956	27.7
145.10123	0.6
161.61665	0.5
163.06023	4.1
165.10234	100.0
166.10530	1.0
167.03386	0.8
177.05536	0.5
183.11290	88.2
184.11615	1.2
206.12695	1.1
223.70831	0.5
242.80681	0.6
250.20529	0.5
259.96243	0.5
284.06754	0.6
327.15601	2.8
329.06390	1.0
345.09674	1.6
345.16495	5.8
507.14813	1.3
507.21967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2203
Annotation	Repandin D
Peak:m/z	Relative Intensity
69.07077	0.7
70.68111	0.7
81.07064	0.6
83.06151	0.4
95.08615	0.8
105.07025	0.5
109.10181	0.5
121.10138	0.4
127.03981	0.4
145.10141	0.4
146.45213	0.4
149.02356	1.1
159.11803	0.4
193.04985	0.5
200.43977	0.4
227.05247	1.1
237.07527	0.5
245.06448	1.1
259.16727	2.6
261.92850	0.4
266.40762	0.4
287.03815	0.7
287.16354	0.6
289.05206	3.2
320.79745	0.5
367.70462	0.4
371.09415	0.4
403.20807	1.2
421.22003	8.7
422.22919	0.5
429.11456	0.5
445.21851	1.0
463.23013	21.8
466.58789	0.4
490.99561	0.4
507.21997	100.0
508.22473	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	507.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75375	0.3
67.05500	0.4
69.07062	0.6
73.00998	0.3
81.07060	0.4
85.02902	0.7
87.00854	0.4
91.05451	0.4
93.07057	0.4
95.08611	0.5
105.01855	0.4
107.08576	0.4
109.10136	0.4
119.08570	0.4
127.03908	0.6
135.11671	0.4
145.10101	0.3
203.05214	1.6
227.05316	0.8
245.06361	3.7
259.16763	1.2
271.04318	0.6
287.03790	0.4
289.05283	23.5
294.85245	0.4
295.89163	0.3
336.79712	0.4
421.21991	3.1
445.22504	0.5
463.22974	8.7
507.21982	100.0
508.22250	2.9
514.41901	0.4
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	Repandin D
Peak:m/z	Relative Intensity
51.72065	0.4
53.03946	0.7
55.05519	0.5
67.05499	1.6
69.03437	0.6
69.42390	0.7
69.42796	1.6
77.08389	0.4
79.05472	2.9
81.03416	0.4
81.07070	1.0
85.69145	0.5
91.05465	3.3
93.07045	6.4
95.04964	0.7
95.08617	1.3
105.07034	2.7
107.08595	1.3
114.78123	0.4
117.07035	0.7
119.08607	1.2
121.10133	6.0
131.08583	0.9
137.05991	0.5
145.10123	0.7
149.09637	1.4
151.07532	0.6
161.06010	1.8
167.10715	0.5
175.07602	0.5
179.07019	4.2
187.07573	0.5
191.07024	5.2
191.27002	0.4
199.07619	0.5
203.07053	1.5
209.08066	2.1
227.05263	0.6
243.04762	1.4
245.06299	1.6
246.12570	0.5
251.12775	0.5
263.09195	0.5
271.04333	0.6
287.03766	7.0
287.09207	2.3
287.12152	0.7
289.05301	5.1
345.17041	0.6
366.25424	0.5
385.48651	0.5
421.22006	1.8
463.23026	7.3
489.21674	0.4
507.22012	100.0
508.22437	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	507.2206
Annotation	Repandin D
Peak:m/z	Relative Intensity
55.05504	0.3
67.05499	1.2
70.47678	0.6
71.04984	0.6
72.00343	0.3
79.05497	1.5
81.07056	1.4
85.02896	0.7
91.05473	2.0
93.07055	1.3
95.04977	0.4
95.08614	0.9
105.03393	0.5
105.07035	2.4
107.08614	0.9
109.10188	0.4
117.07034	0.9
119.08588	0.9
121.10162	0.5
131.08583	0.9
133.10161	0.6
137.06029	0.3
139.03906	0.3
145.10141	1.1
151.07590	0.9
159.11745	0.8
167.03191	0.3
185.04230	0.4
201.03773	0.6
204.18483	0.3
227.05284	0.6
243.04765	1.6
245.06349	1.8
259.16736	0.4
271.04272	0.6
287.03738	5.1
289.05301	4.9
329.13644	1.1
344.16040	0.8
345.16830	0.4
421.22116	2.2
463.23032	8.7
489.20877	0.5
507.22031	100.0
508.22214	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	507.2207
Annotation	Repandin D
Peak:m/z	Relative Intensity
52.28610	0.4
55.05508	0.9
57.03453	0.7
67.05510	1.3
69.03452	0.7
69.07077	1.0
70.06573	0.5
70.55763	1.0
73.02917	1.7
81.03429	0.6
81.07053	0.9
85.02919	1.9
85.06541	0.7
86.09735	0.7
87.09595	0.5
91.05491	0.9
93.07034	1.3
97.02898	0.7
100.07623	0.5
100.11286	0.9
105.07043	1.3
107.04983	0.5
107.08596	1.1
107.60130	0.5
109.10224	0.6
111.04432	0.5
112.07599	0.8
115.04043	0.8
117.07029	0.6
119.08650	0.8
125.06009	4.5
126.06321	1.4
133.05025	0.8
136.89557	0.4
168.13838	2.6
182.15468	0.8
185.04251	0.7
195.13806	9.3
196.14287	6.2
203.05316	0.5
205.05093	0.6
210.14886	0.7
220.14075	0.6
227.05278	0.8
231.13719	0.5
243.04799	1.3
245.06406	1.6
259.16791	2.1
262.15247	0.7
266.41946	0.4
271.04379	1.2
287.03757	3.8
289.05341	2.8
291.15729	0.6
292.16281	0.5
295.23904	0.6
312.26474	1.3
421.21909	6.3
422.30084	0.7
445.22043	0.9
463.23022	13.7
463.29559	0.7
489.21021	0.8
489.37976	0.7
507.22009	100.0
508.22366	2.5
530.57672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2205
Annotation	Repandin D
Peak:m/z	Relative Intensity
54.15105	0.3
56.40939	0.4
69.07053	0.6
71.20547	0.3
79.05478	0.4
81.07066	0.6
91.05479	0.7
93.07031	0.8
95.08611	0.7
96.03756	0.3
97.02772	0.3
105.07037	0.7
107.08564	1.0
109.10134	0.5
119.08607	0.9
121.02827	1.0
121.10113	0.4
131.08582	0.4
132.88667	0.3
143.02008	0.4
145.10155	0.6
159.11723	0.5
175.66035	0.3
184.36217	0.3
187.93573	0.3
203.05215	0.5
227.05270	1.2
233.84726	0.3
243.04718	0.8
245.06412	1.0
259.16760	1.5
271.04202	0.6
287.03729	2.1
289.05280	4.2
386.79034	0.3
421.21942	4.4
445.21713	1.0
463.22977	12.7
489.20911	0.7
507.21979	100.0
508.22314	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	507.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09992	0.3
55.05529	0.5
59.45252	0.3
59.88264	0.3
67.05499	1.0
69.07066	0.4
79.05490	1.4
81.07055	1.4
91.05485	1.5
93.07036	1.5
95.04942	0.4
95.08607	0.9
105.07040	2.6
107.08568	0.5
109.10171	0.5
117.07030	0.9
119.08543	1.1
121.10155	1.3
131.08586	1.0
133.10132	0.4
137.05971	0.3
139.03928	1.0
145.10118	1.5
151.07501	0.6
159.11720	0.8
161.13272	0.5
163.03943	0.4
179.07042	0.5
193.03052	0.3
203.05270	0.9
206.95665	0.3
227.05281	1.0
245.06311	3.2
259.16699	0.7
287.03815	0.7
289.05261	9.9
296.93811	0.4
345.09738	1.5
349.87955	0.4
421.21924	4.3
445.21994	0.4
463.22995	12.5
464.23541	0.7
489.21124	0.8
507.21997	100.0
508.22107	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	507.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.6
57.03437	4.5
57.07076	19.1
60.95559	0.5
64.17005	0.5
67.05508	4.9
69.07066	4.5
69.76378	1.8
71.04966	0.4
71.08273	0.8
71.08633	11.3
79.05482	1.3
81.07059	6.2
83.08619	4.1
84.71489	0.5
85.10175	6.8
89.06015	0.9
91.05501	0.7
93.07040	1.4
95.08611	8.0
97.06527	0.8
97.10153	2.1
98.22776	1.1
107.08585	0.8
107.66259	0.5
109.10161	4.1
115.03690	1.5
119.08584	0.5
120.96689	0.6
121.10149	0.5
121.88857	0.5
123.11694	1.6
137.05971	1.0
139.07559	0.6
151.07535	1.3
153.05438	1.7
156.97421	0.5
163.07568	0.8
165.09067	0.5
167.06982	1.7
171.06537	1.6
176.99223	3.9
191.10579	0.6
195.00299	100.0
213.00096	1.9
236.02823	0.6
239.23744	1.2
257.24799	1.0
269.04031	0.8
313.27356	24.3
328.83603	0.5
357.84567	0.5
415.22351	0.9
421.70291	0.6
457.25864	0.9
507.26736	20.2
507.33060	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	507.2722
Annotation	Asn Phe Ala Arg
Peak:m/z	Relative Intensity
55.05516	0.8
58.17453	0.8
58.57570	0.8
79.42641	0.8
94.57919	0.7
134.05782	0.8
137.05945	1.2
151.07561	0.9
507.27139	100.0
508.27405	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	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.55796	0.3
69.20685	1.6
73.16212	0.3
73.24239	0.3
74.09721	0.4
81.07066	0.4
130.64046	0.4
175.03703	0.4
303.97836	0.3
353.18658	0.3
479.27899	0.5
507.27167	100.0
508.27567	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	507.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.7
55.05505	3.8
57.03418	5.5
57.07074	16.5
61.53853	1.9
67.05503	8.4
67.66418	1.9
69.03446	1.8
69.07053	3.7
71.08638	13.9
79.05506	4.9
80.09090	1.8
81.07050	6.4
83.08622	4.6
85.10185	6.9
91.05514	3.1
93.07047	2.9
95.04990	2.3
95.08607	9.5
96.91576	1.9
97.10160	3.2
98.23161	2.4
109.10139	4.3
111.04398	1.9
121.06510	3.9
123.04419	3.1
135.08029	2.3
137.05981	14.2
138.06738	9.9
139.03888	13.2
139.07530	6.4
151.07526	18.0
153.05431	5.7
154.06247	61.5
167.07040	15.7
168.07768	6.8
169.08601	29.0
176.99228	3.9
177.09155	3.5
181.08568	5.3
195.00302	100.0
266.39481	2.3
313.27396	24.8
415.22028	2.1
433.29517	3.3
448.28113	2.3
463.30396	2.9
492.27005	2.7
495.54739	1.8
507.27454	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64174	0.4
62.97107	0.4
63.51144	0.5
68.77023	0.4
77.62710	0.5
102.46146	0.5
129.91728	0.5
152.49048	0.6
186.47583	0.5
222.01845	0.6
245.79140	0.5
442.21350	0.5
507.27164	100.0
508.27533	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	507.2724
Annotation	Isoamoritin
Peak:m/z	Relative Intensity
51.39394	0.9
56.92445	0.9
63.65718	0.8
63.76954	0.7
64.44952	0.8
67.05518	0.8
69.07082	1.4
70.03399	0.9
71.10966	1.5
79.05500	0.9
81.07066	1.4
82.49604	0.8
89.82549	0.9
93.07080	1.3
95.08614	1.6
95.56647	0.8
106.32488	0.9
163.34807	0.9
184.07353	0.9
237.22215	1.7
311.25775	1.0
507.27213	100.0
508.27371	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	507.2954
Annotation	Mucronine A
Peak:m/z	Relative Intensity
51.81076	0.6
53.03934	0.6
55.05264	0.7
55.05511	9.4
55.42435	0.4
57.03439	0.8
57.07066	1.4
57.45338	0.5
65.03921	0.5
67.05499	6.1
69.03420	1.8
69.07069	11.5
69.96052	1.2
69.96397	0.7
70.06553	0.5
71.04957	0.8
79.05486	2.3
81.07056	8.5
83.01329	1.1
83.04976	1.5
83.08617	2.2
85.02901	1.0
85.06557	0.6
91.05479	1.9
93.07033	4.5
95.01335	0.7
95.04962	1.3
95.08605	7.4
95.22433	0.5
97.02868	0.7
97.06532	1.1
97.10165	10.5
99.00822	4.5
99.04452	2.8
100.11245	1.0
104.85670	0.6
105.06989	2.5
107.08592	4.1
109.06522	1.1
109.10155	12.3
111.04438	1.0
111.08118	1.1
111.11729	2.3
113.02358	1.0
113.05953	0.5
115.13143	0.5
119.08587	2.3
121.06502	0.8
121.10141	2.4
123.11689	3.3
125.05997	0.8
125.09617	1.0
126.88387	0.5
127.11253	0.6
131.08569	1.2
133.06496	0.6
133.10112	1.9
135.04410	1.4
135.08055	0.8
135.11674	2.1
137.05997	1.3
137.09593	1.4
137.13220	0.9
139.07545	0.6
139.11218	1.3
143.08522	0.8
143.10631	0.9
145.10162	0.9
147.07964	0.6
147.11707	1.1
149.02359	2.0
149.05969	0.9
149.09590	0.6
149.13272	1.3
151.07520	1.6
153.05473	2.0
153.09067	0.6
153.12775	1.4
155.07019	1.3
157.10165	0.7
159.11711	0.6
161.05951	2.3
161.09622	0.8
163.03876	1.2
163.07518	2.0
163.14873	0.7
165.09120	1.0
168.13823	1.8
173.09744	0.7
175.07523	3.1
177.05434	2.1
177.09090	1.6
179.07034	0.6
181.04970	7.0
183.06541	3.8
189.09081	4.2
191.07011	1.5
191.10706	0.7
195.06517	17.7
196.13333	1.0
203.10684	1.1
207.06474	1.7
209.08112	9.2
210.14764	0.8
217.12361	0.6
219.10338	0.6
221.08049	5.9
223.09622	11.2
231.13686	1.4
235.09628	3.8
237.11238	6.5
245.15408	0.7
247.09590	0.9
249.11197	3.7
251.12794	1.4
255.13837	0.7
259.16852	0.6
261.11292	0.8
263.12747	1.5
271.16940	0.7
287.16312	0.6
289.05191	1.0
289.14267	1.2
291.15894	4.2
291.27014	1.1
297.27853	2.6
303.15948	1.2
305.17453	11.1
307.18942	2.3
309.27808	3.3
310.28104	0.7
312.26340	1.6
315.15726	2.5
319.19150	2.6
327.28870	0.7
333.16949	4.0
421.21835	1.5
425.26501	0.6
443.27902	0.9
453.26462	0.7
463.23145	2.7
471.27060	2.4
489.21390	1.3
489.28409	14.9
490.28946	0.7
507.21912	21.1
507.29373	100.0
508.21979	1.6
508.29715	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	507.2958
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03946	1.1
55.01875	1.3
55.05508	6.1
57.43911	0.8
61.71881	0.8
63.73756	0.9
67.05503	12.6
69.03425	3.6
69.07078	5.8
71.04994	2.5
79.05493	6.4
81.03421	1.2
81.06622	1.6
81.07056	15.1
83.01353	1.7
83.04978	1.9
83.08620	1.6
85.02922	2.1
85.06545	2.7
91.05472	5.9
93.07043	12.6
95.01305	1.6
95.04968	14.3
95.08022	1.7
95.08604	24.2
97.02825	1.0
97.06534	1.3
97.10172	2.5
99.00795	6.4
99.04462	5.5
105.07028	9.3
107.04943	1.2
107.08593	10.7
109.06511	3.5
109.10165	7.8
113.02352	1.6
117.01841	1.6
117.07011	2.5
119.08579	8.7
121.02859	14.7
121.06504	2.6
121.10132	7.9
123.04409	1.1
123.08071	5.7
123.11687	3.2
125.05997	1.8
125.09625	2.3
127.03977	1.3
129.07027	1.4
131.08559	3.7
133.10109	7.2
135.04411	1.3
135.08084	1.8
135.11664	1.9
137.06010	2.4
137.09607	3.1
139.03902	11.1
139.07535	3.3
141.09114	1.1
143.08601	2.2
145.10130	3.2
147.07971	1.4
147.11681	4.4
149.02310	1.1
149.05986	3.1
149.09653	1.9
149.13219	1.4
151.07559	3.5
151.11201	2.0
153.05438	3.0
153.09094	5.0
155.07033	2.4
157.10063	1.8
159.11713	1.8
161.05971	2.2
161.09656	2.1
161.13258	4.5
163.03900	3.0
163.07555	1.8
163.11182	1.3
165.09100	4.4
171.08069	1.0
171.10173	0.9
173.09616	1.1
175.07523	2.8
177.05479	4.0
177.09148	1.4
179.10696	3.9
181.04935	12.9
183.06517	3.4
185.13255	1.1
189.09082	8.6
189.12794	1.5
191.07018	1.6
191.10643	1.2
193.12303	1.9
195.06525	29.7
199.14812	1.4
201.09195	0.9
203.10631	1.4
205.08601	1.2
207.06502	2.3
207.13812	2.4
209.08047	10.9
217.12404	0.8
217.15800	1.1
219.10106	1.2
221.08093	3.5
223.09633	20.8
229.12146	0.9
231.10107	1.0
235.09674	3.8
237.11182	13.8
247.09651	1.1
249.11214	7.9
251.12819	3.7
261.11163	1.7
263.12817	2.6
277.14166	1.4
287.03781	3.0
289.05344	3.9
289.14432	1.4
291.15823	2.7
303.15921	1.9
305.17517	2.3
307.19135	4.6
317.17484	3.3
319.18927	5.3
319.22375	1.0
329.17441	2.8
347.18280	1.7
453.26312	2.2
463.22940	4.8
471.27444	13.6
489.21143	2.1
489.28448	43.7
490.28555	2.8
507.21854	51.4
507.29401	100.0
508.21964	3.4
508.29871	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	507.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00753	3.4
53.95248	3.4
55.05499	4.9
67.05499	14.5
69.07066	11.0
69.28913	18.2
73.06548	3.4
74.99718	3.3
79.05506	6.7
80.17173	3.2
81.07073	24.1
91.05489	8.4
93.07016	10.5
95.08597	21.6
101.93356	3.1
105.07066	16.6
107.08598	10.1
109.10146	9.9
118.97405	3.5
119.08562	8.0
121.10117	3.7
123.11742	4.7
133.10120	4.3
142.87134	3.1
143.08636	5.3
145.10181	6.7
147.11737	5.3
153.05519	3.7
395.25925	3.6
489.37097	13.6
507.30878	100.0
507.38217	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	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.0
57.07061	6.6
57.42242	1.9
59.05000	5.0
61.44701	1.8
63.46433	1.9
67.05495	13.0
69.07071	74.7
69.88591	2.5
69.88918	3.5
71.04986	2.7
79.05489	4.9
81.07058	37.4
83.08622	15.2
85.02901	2.2
85.06551	7.4
89.06033	8.5
91.05476	4.6
93.07052	16.3
95.04982	3.3
95.08601	34.9
97.06530	4.9
97.10170	5.1
98.22774	2.5
99.08080	13.4
105.07065	5.7
107.08594	10.4
109.10159	17.0
111.11700	17.8
119.08539	4.4
121.06516	13.5
121.10159	11.4
123.11728	9.6
133.08597	7.5
133.10104	3.0
135.11678	5.9
137.13269	14.5
137.20734	1.9
139.11198	7.6
142.03481	1.7
147.11708	3.9
149.13269	10.9
163.14825	4.6
165.09109	5.3
167.14311	2.1
177.16362	2.6
209.11723	2.1
227.20175	2.8
259.16751	2.3
279.26764	3.9
291.26846	12.2
297.27869	85.6
309.27872	63.3
327.28860	9.0
421.21848	9.1
463.23007	20.8
490.28427	2.1
507.21991	100.0
508.22504	6.2
526.93103	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	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42387	2.3
55.05518	7.4
60.08166	3.1
65.03961	3.2
67.05496	15.6
69.07071	20.8
69.33469	2.7
71.04996	9.5
73.06570	2.9
79.05514	14.7
81.00604	2.5
81.07056	29.6
82.11230	2.5
83.08609	4.4
85.06552	4.7
86.09701	14.9
87.10050	4.2
88.91890	3.0
91.05475	16.3
93.07046	31.1
95.04967	7.9
95.08611	35.4
96.84979	3.0
97.06533	21.3
99.08086	19.2
103.05494	3.6
104.10800	2.9
105.07043	45.9
107.08595	36.6
109.06486	4.2
109.10155	26.0
111.08074	23.5
117.07024	5.9
119.08580	50.4
121.10147	96.2
121.10991	5.3
123.08066	5.4
123.11709	12.4
124.99970	13.7
125.09660	8.2
129.09128	46.4
131.08600	10.3
133.10136	28.5
135.11694	13.4
137.06033	3.6
137.13280	8.4
139.11208	4.3
143.08511	2.7
144.09486	2.8
145.10144	10.8
147.11726	21.7
149.13272	8.4
153.12668	2.7
157.10175	6.2
159.11719	16.6
161.13284	23.1
163.11255	2.9
163.14867	8.8
165.12796	13.2
166.21979	2.9
171.11688	8.7
173.13243	21.3
175.14828	62.7
177.16420	5.9
184.07335	61.7
185.07759	14.1
185.13303	3.1
187.14810	8.1
189.16396	8.5
191.14331	8.6
191.17760	2.7
199.14671	3.9
201.16426	4.2
203.14725	2.9
215.18025	14.1
217.15875	3.8
219.13965	2.7
233.15428	4.5
233.19131	6.0
255.07161	2.7
265.21649	100.0
266.22214	2.7
287.37350	2.8
292.97375	2.6
305.21063	20.4
372.43848	2.9
381.27875	3.7
393.31232	5.6
411.32486	9.4
421.30896	10.3
439.32104	17.4
457.33151	10.1
471.34616	13.6
489.36267	25.9
507.29382	5.5
507.36404	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	508.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
57.03425	3.6
58.22429	1.9
60.54491	2.1
61.02921	4.0
69.03423	5.9
71.42407	2.0
75.40342	1.5
79.07603	1.7
81.03425	3.1
85.02905	25.7
89.59391	1.7
97.02879	7.1
98.97579	2.0
103.03928	3.7
103.05419	2.1
107.04910	2.9
109.02909	3.5
121.06511	4.2
125.05994	20.9
127.03941	4.0
131.04901	4.0
133.02820	5.3
145.04919	3.1
147.04411	4.1
149.05971	4.1
150.03084	4.9
151.03947	2.6
153.05470	3.3
159.04420	8.9
163.03819	1.5
164.80528	1.7
165.05432	2.5
166.02631	2.3
167.07031	100.0
167.64171	1.8
168.07439	2.0
173.02264	2.0
175.03922	6.6
176.04619	3.7
177.01852	15.6
177.05388	3.9
179.03395	6.2
181.04945	26.7
187.03993	8.1
190.02603	2.4
191.03412	24.3
191.07053	4.6
193.04999	8.7
194.02112	2.6
195.02898	11.6
197.04407	16.3
203.03448	2.2
204.04187	2.2
205.04980	20.6
207.02802	3.5
207.06464	4.1
209.04446	46.1
211.02420	2.4
215.03395	6.6
217.04926	4.2
219.02855	7.1
219.06522	13.9
221.04459	17.8
223.02370	3.3
223.05942	3.5
225.04033	2.5
227.05539	2.5
229.05063	3.5
232.03632	3.2
233.04433	27.8
235.06081	4.1
245.04465	6.0
247.06003	19.9
249.07645	1.7
251.05502	40.9
257.04443	4.7
263.05496	34.1
275.05496	28.7
281.06555	11.6
293.06512	35.4
311.07593	25.2
329.08655	38.1
335.99048	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06312	2.5
53.03970	2.6
55.01851	5.7
57.03440	6.0
64.48447	3.2
69.03429	10.8
70.56113	2.7
70.56431	2.8
73.02930	2.7
81.03421	5.0
85.02908	41.1
87.04480	2.7
97.02901	13.1
103.03975	6.2
109.02899	4.5
110.43868	2.5
120.08115	7.0
127.03908	4.9
131.04959	7.2
133.02863	11.7
145.04967	4.8
147.04431	5.7
150.03143	7.9
151.03947	5.1
153.05505	6.5
159.03308	2.4
159.04445	17.6
161.02461	2.9
161.06058	4.2
162.03212	3.8
163.03845	4.1
165.02066	2.6
165.05452	5.6
167.03400	2.7
175.03871	13.8
177.01830	24.1
177.05429	6.7
178.02742	5.2
179.03453	10.0
180.00531	5.8
181.04948	50.2
187.03972	9.7
190.02579	4.7
191.03401	32.4
191.07109	8.0
193.04959	17.1
194.02081	4.8
195.02888	23.1
197.04480	25.6
204.04173	8.0
205.04968	30.7
207.02959	6.9
207.06564	6.1
209.04439	71.6
215.03383	8.2
216.04214	4.9
217.04951	7.2
219.02975	4.7
219.06465	18.0
221.04416	29.6
223.02396	8.1
225.03983	5.1
229.04916	5.8
231.02979	3.8
231.06541	3.4
233.04439	34.4
235.06018	5.8
237.03871	5.4
243.02954	6.1
245.04443	10.6
247.06032	28.0
248.43619	2.8
251.05501	64.6
257.04477	6.8
263.05515	56.0
265.07053	3.6
275.05505	45.9
281.06537	19.4
289.12531	5.2
293.06543	61.3
311.07547	43.3
329.08667	100.0
350.22348	3.0
351.39902	2.9
417.74130	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	508.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01880	5.5
57.03446	4.5
61.02927	7.3
62.97733	2.2
67.05564	2.4
69.03433	36.3
71.05039	3.3
76.02216	4.5
80.57915	3.1
81.03418	7.1
85.02904	60.2
91.05508	3.1
97.02876	14.8
98.23585	5.2
99.04451	3.6
103.03931	3.7
105.07033	3.7
109.02867	5.3
119.04926	2.8
121.10140	15.1
121.83656	2.5
122.02746	12.2
123.08090	4.0
127.03927	7.5
131.04915	8.1
133.02882	11.9
145.04965	11.4
147.04437	5.7
150.03154	9.5
151.03922	4.1
151.07597	3.4
153.05513	4.6
159.04401	15.7
161.05992	4.6
161.13261	2.9
163.11197	5.9
165.12778	4.8
167.05217	12.9
171.04474	4.0
175.03943	6.8
177.01819	28.7
177.05469	7.0
178.02638	3.1
179.03395	8.1
181.04951	47.9
184.14178	2.5
187.03893	12.0
189.05443	4.4
190.05331	4.4
191.03371	31.9
191.07072	4.6
193.04985	15.7
195.02859	17.9
197.04439	24.9
197.09924	3.8
199.03932	2.7
204.04102	4.8
205.04967	27.8
205.93170	2.7
207.02916	4.1
207.06575	6.3
207.13792	8.5
209.04480	75.5
211.02415	3.9
215.03432	7.5
216.04243	3.4
217.05037	4.4
219.02863	3.1
219.06483	21.1
221.04417	22.8
223.02362	6.3
223.06041	6.5
225.12677	2.7
225.14847	4.3
232.03682	3.8
233.04437	35.5
234.05045	3.0
235.06032	10.7
237.03876	3.0
239.10881	4.6
245.04543	6.5
247.06015	31.4
251.05501	64.3
257.04550	4.5
263.05496	47.5
275.05493	49.4
281.06528	15.1
293.06549	50.2
311.07571	40.6
329.08667	100.0
353.45667	2.8
361.31879	3.6
472.43375	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	508.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38123	0.5
53.03959	0.7
54.92281	0.6
55.05519	0.8
65.03938	2.1
67.05496	1.5
68.38033	0.6
69.03421	2.4
78.07749	0.6
79.05493	0.6
81.03418	2.5
81.07047	1.5
85.02912	2.7
89.45209	0.7
93.03423	0.7
93.07052	2.1
95.04964	1.1
95.08584	1.5
97.02881	2.5
97.96186	0.7
99.04419	0.9
103.03958	0.8
104.17042	0.6
109.02889	1.5
109.10147	0.7
121.02870	100.0
121.10137	2.0
121.31600	0.7
122.03199	1.2
123.04408	1.5
127.03928	2.1
139.03902	74.1
140.04245	1.0
145.04944	0.8
147.04427	0.7
149.05974	6.2
163.07578	1.8
173.05986	1.5
178.04979	2.0
191.07018	2.3
192.07501	0.7
195.06590	0.9
209.08119	6.1
233.08173	2.9
247.06044	1.1
251.09186	0.8
265.07101	1.9
275.09195	0.8
283.08124	7.9
289.05310	0.8
299.09134	2.2
346.09900	1.4
422.21970	0.7
454.69449	0.7
464.23401	1.3
481.40076	0.7
490.28760	1.1
507.29590	0.9
508.22305	13.9
508.29767	3.3
509.23505	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	508.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01881	1.3
55.05509	1.0
57.03434	1.6
60.59718	0.2
61.02923	3.1
61.99680	0.2
69.03425	6.3
69.34219	0.9
71.01363	0.3
71.04984	1.0
71.26659	0.2
72.95914	0.2
73.02907	1.2
77.07618	0.2
79.05490	1.9
81.03414	1.9
84.48550	0.2
85.02903	34.0
86.03231	0.3
87.04479	0.7
91.03935	1.2
91.05469	2.6
93.07043	5.5
95.04951	0.6
97.02890	8.3
98.22732	0.4
99.04437	1.4
103.03931	0.5
103.05479	0.5
105.07023	1.6
106.37563	0.2
107.04950	14.6
107.08603	0.8
109.02872	2.7
109.06539	0.6
114.27754	0.2
115.03940	0.4
116.06236	0.5
119.08592	0.3
121.06509	4.4
121.10143	5.5
127.03909	9.0
129.06989	0.3
131.08528	1.7
133.06462	0.7
133.85417	0.3
134.07239	1.7
145.04955	15.1
145.06313	0.5
147.08051	0.4
149.09610	100.0
150.09962	1.8
151.11182	0.8
163.06017	6.6
163.11185	2.4
173.05934	0.2
180.08717	0.4
181.06950	0.2
181.68269	0.2
187.07616	0.3
187.11169	0.3
189.09088	0.3
191.10638	1.1
199.11066	0.3
201.12723	0.2
203.10663	0.6
207.10173	0.3
215.06949	0.3
215.10704	1.0
225.14644	0.3
225.35796	0.3
229.12184	0.6
233.11784	0.5
245.11792	0.3
257.11755	0.5
275.12732	2.3
293.13757	1.8
311.14746	0.4
325.11075	0.7
347.07632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28235	0.7
55.01870	0.6
56.79002	0.6
57.03436	0.8
61.02920	1.4
69.03429	4.3
69.60307	0.6
73.02901	0.6
81.03415	1.6
85.02906	17.2
91.03971	1.3
91.05479	8.9
92.21116	0.6
97.02901	5.1
99.04469	0.7
103.05453	1.2
105.07026	0.7
109.02883	1.9
115.03902	0.7
116.06235	2.8
119.08573	1.9
121.06474	0.9
127.03924	5.6
129.07004	1.1
131.04948	1.6
131.08566	100.0
132.08864	0.9
133.10147	0.6
139.03888	0.8
145.04961	7.6
149.09613	19.4
163.06027	3.8
163.07547	1.6
190.03679	0.7
293.13934	1.8
325.11356	2.2
330.52707	0.6
361.32379	0.6
531.67706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
54.35233	0.3
55.01862	0.5
55.05491	1.4
57.03433	0.8
61.02921	0.8
65.79638	0.3
69.03425	2.9
69.98507	0.9
73.02897	0.4
79.05480	1.5
81.03406	0.9
85.02402	0.5
85.02897	7.6
91.03961	0.4
91.05472	2.3
93.07041	5.7
93.89468	0.4
95.04969	0.7
97.02892	2.3
99.04433	0.8
103.03906	0.4
103.05457	0.4
105.07030	2.2
107.04948	16.4
107.08586	1.3
109.02856	0.7
109.06509	0.5
115.05433	0.4
116.06213	0.7
119.08547	0.5
121.06495	7.4
121.10140	6.7
123.08047	0.4
127.03904	2.0
131.08554	1.8
133.06487	0.9
133.07509	0.4
134.07274	1.2
137.05957	0.5
139.03911	0.4
145.04944	2.4
145.06462	0.8
147.08038	0.6
149.09607	100.0
150.09940	1.5
151.11205	0.4
159.08009	0.6
161.06039	0.7
161.09534	0.8
163.06017	0.7
163.07466	0.6
163.11168	2.0
173.09618	0.6
185.09607	0.8
187.07484	0.5
187.11211	0.6
191.07118	0.5
191.10686	1.9
203.10686	0.7
215.10703	0.8
245.11714	0.3
257.11877	0.4
275.12750	1.7
293.13824	2.2
311.14850	28.1
312.15182	0.6
330.06973	1.0
331.07672	0.9
345.09689	1.1
346.09869	4.3
347.07620	0.5
508.10641	0.5
508.17865	8.8
509.17993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33107	0.6
55.05503	2.9
57.07075	3.6
57.91487	0.7
59.04990	1.1
67.05505	4.9
69.07066	2.5
69.26949	3.1
79.05492	5.7
81.07062	8.8
83.04973	1.3
83.08607	1.5
83.42300	0.6
85.06526	0.7
86.09690	2.3
91.05471	7.9
93.07047	19.0
95.04952	1.4
95.08604	11.0
97.10171	1.9
98.22980	2.4
99.08091	0.7
104.10720	0.8
105.04523	0.8
105.07030	10.7
107.08591	17.9
109.06528	1.2
109.10162	7.5
115.05423	0.9
115.32651	0.6
117.07008	2.5
119.08587	17.5
121.06517	1.4
121.10145	15.5
123.08086	2.1
123.11677	2.0
129.07036	3.2
131.08560	7.9
133.06499	0.7
133.10139	6.5
135.08025	0.7
135.11685	24.9
137.05975	4.0
137.09627	7.0
141.06961	2.7
142.07773	2.2
143.08565	10.1
144.09367	0.8
145.10129	8.6
147.08093	1.5
147.11691	4.9
149.09602	2.2
149.13277	1.0
153.06982	1.8
154.07777	1.2
155.08527	5.0
156.09317	1.2
157.10135	12.3
159.11671	6.7
161.09616	1.7
161.13194	2.9
163.07506	0.7
163.11134	2.9
165.07021	2.6
166.07747	2.9
167.08569	10.9
168.09344	1.5
169.10136	5.4
170.10844	1.8
171.08083	1.6
171.11690	8.6
173.09587	0.9
173.13284	8.7
175.11214	4.2
175.14755	1.5
177.09140	1.5
179.08554	2.7
180.09322	4.0
181.10114	27.0
182.10730	0.9
183.11687	8.3
184.07349	5.4
184.12291	0.7
185.09584	1.2
185.13272	10.7
187.11171	0.8
187.14832	5.3
189.12770	3.9
193.10118	2.6
194.10913	4.8
195.11685	19.7
196.12387	1.0
197.13246	4.9
199.11153	2.2
199.14830	10.3
201.12750	2.0
202.65680	0.6
203.14326	2.6
207.11685	1.3
208.12479	1.8
209.11313	0.8
209.13264	16.6
210.14029	2.0
211.14725	3.3
213.12726	1.6
213.16422	2.5
221.13223	1.0
222.14014	1.7
223.14815	20.1
224.15434	1.5
225.16393	8.0
227.14305	8.0
227.17891	1.1
235.14828	1.0
237.16418	9.7
239.17940	3.4
241.15941	2.9
241.19493	2.5
250.17229	0.8
255.17647	1.3
255.21053	11.5
264.69153	0.6
265.19513	67.8
266.19742	2.3
267.17511	0.8
273.22009	0.7
283.20554	100.0
284.20999	3.0
297.18579	0.7
301.21622	17.9
325.21594	21.6
343.22696	11.0
353.24631	0.8
371.25687	2.3
385.23956	0.9
403.24783	4.9
430.30609	0.7
431.27740	2.3
491.31171	1.2
508.32318	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	508.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
56.05035	0.6
57.07077	0.3
58.06638	0.5
60.08164	5.8
60.08469	0.4
62.11095	0.1
66.10244	0.2
69.07060	0.4
70.10910	0.4
71.07378	2.8
79.05469	0.2
81.07064	0.2
83.08627	0.4
86.09704	29.2
87.10046	0.2
93.07036	0.3
93.83070	0.2
94.26406	0.2
95.08624	0.3
98.98464	2.7
104.10741	2.3
107.08654	0.2
109.10191	0.2
111.45933	0.2
116.51907	0.2
121.10142	0.2
125.00002	18.5
133.94896	0.1
143.01093	0.2
151.85992	0.1
184.07336	100.0
185.07668	0.5
209.78204	0.2
235.16498	0.2
266.20117	0.1
321.07089	0.2
325.27557	0.2
389.25885	0.2
433.01987	0.2
490.32880	1.2
508.27701	0.4
508.34039	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	508.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05260	1.8
55.05511	26.1
57.03439	5.1
57.07075	39.2
61.02923	6.7
65.40640	1.1
67.05163	2.0
67.05504	36.2
69.03425	1.5
69.07067	39.4
69.07448	1.9
71.04979	2.0
71.08619	9.2
72.04288	1.2
73.02915	4.9
73.06545	1.7
75.04472	2.6
79.05497	16.1
81.07055	47.1
83.05002	1.6
83.08621	32.3
85.02903	6.0
85.10181	2.9
87.04457	6.9
89.05610	1.0
89.06032	26.5
91.03961	2.6
91.05457	5.7
93.07051	25.6
95.04938	2.3
95.08606	35.7
97.02899	2.5
97.06532	7.4
97.10163	21.6
98.23483	3.7
105.04482	2.0
107.08589	17.4
109.10149	16.1
111.08076	6.0
111.11725	7.2
118.07752	1.6
119.04957	1.5
119.08639	1.4
121.06507	13.3
121.10147	37.0
123.11697	14.2
125.09602	1.8
125.13243	1.4
127.11233	1.6
131.07068	1.7
133.08597	16.7
135.11705	33.1
137.13255	10.7
139.11183	3.8
141.12776	1.5
147.08009	2.9
149.13239	12.5
151.14900	1.4
153.12744	2.8
155.22890	1.5
163.14879	6.5
165.09102	3.6
167.14351	1.6
175.09644	1.4
177.11188	7.4
177.16328	2.8
199.12465	1.8
219.21078	44.7
221.13841	2.0
233.19009	2.3
237.22128	100.0
238.22589	1.6
255.23222	20.6
277.21725	3.6
309.57495	1.4
311.25800	81.1
312.25751	1.8
329.26874	47.5
345.24142	1.7
509.29178	1.4
517.71240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.3
57.03410	3.1
57.07061	5.3
61.02917	3.7
67.05504	11.6
69.07078	16.2
71.08646	2.0
79.05481	5.3
81.07047	18.9
83.08608	12.3
85.02929	2.8
86.09685	6.5
89.60508	1.8
91.05464	3.5
93.07044	9.9
95.08591	14.2
95.71169	1.7
97.06560	2.9
97.10172	8.9
104.10743	4.2
107.08595	8.5
109.10160	5.0
121.10139	15.9
123.11721	6.1
124.99979	3.3
127.11138	2.1
135.11714	11.8
137.13268	3.4
139.11234	2.1
143.08553	2.5
149.13309	3.2
163.14790	2.1
181.10229	3.1
183.11768	1.9
184.07329	19.5
195.11693	2.0
206.46754	2.1
209.13283	2.3
219.21085	13.5
223.14705	2.7
237.22099	33.9
255.23347	7.8
265.19510	7.3
270.28354	1.9
283.20554	15.6
289.02512	2.0
301.21677	3.2
304.13379	2.0
311.25809	28.1
325.21768	4.4
329.26904	14.3
466.17178	2.4
480.27109	5.3
508.27335	100.0
509.23288	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	508.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.7
55.05511	9.8
67.05502	18.1
68.59225	3.2
69.07069	21.7
69.10411	22.7
71.04995	5.2
73.42054	3.4
79.05483	14.4
81.07050	36.8
83.08628	10.6
91.05483	14.9
93.07044	31.0
95.04969	6.1
95.08601	53.2
97.06521	4.2
99.08078	16.9
105.07038	28.2
107.08573	51.8
109.06538	6.1
109.10153	49.0
109.73657	3.1
111.11707	4.9
119.08575	27.6
121.10145	100.0
123.08092	5.6
123.11691	19.6
125.09654	6.6
131.08585	10.4
133.10121	38.3
135.08104	4.1
135.11705	28.8
137.13249	11.7
144.09129	3.6
145.10092	24.3
147.11662	26.8
149.09712	4.3
149.13271	29.4
157.10168	6.3
159.11717	15.0
161.13275	10.7
163.11195	14.0
163.14822	12.4
165.12720	26.8
169.10158	4.6
171.11703	8.3
173.13284	14.7
175.14835	18.5
177.16386	30.1
181.12308	5.8
185.13254	5.6
187.14856	10.8
189.16449	7.6
191.17957	5.7
193.15872	6.9
195.17445	3.9
199.14857	4.3
201.16354	5.9
203.17996	6.4
213.16463	3.4
215.17955	10.5
243.17473	4.1
261.18515	11.1
279.19519	12.4
314.69043	3.9
331.22659	7.9
363.35764	3.3
409.34586	18.7
419.32983	7.9
427.35889	18.9
437.34113	26.7
443.24490	3.6
455.35214	81.2
462.94220	3.9
473.36258	47.8
532.57172	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	508.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.1
57.07066	8.6
67.05513	15.8
69.07066	16.5
71.05009	5.4
71.15392	3.2
79.05487	10.1
81.07053	40.4
83.08613	9.6
89.06017	13.9
91.05480	12.7
93.07036	28.3
95.04985	5.2
95.08600	57.2
97.06554	4.2
98.94173	2.7
99.08086	23.8
103.05435	2.8
105.07018	26.2
107.08589	55.4
109.10146	37.9
111.08078	3.7
111.11785	3.5
117.07030	5.5
119.08570	34.3
121.06497	4.1
121.10144	100.0
123.08080	4.2
123.11700	30.3
125.09635	11.4
131.08557	12.5
133.08598	3.6
133.10117	30.3
135.08044	2.9
135.11685	40.3
137.09621	4.2
137.13283	14.4
139.11182	5.2
143.08559	7.3
145.10091	17.4
147.11679	22.3
149.09619	3.1
149.13249	20.7
155.08533	4.5
157.10155	11.8
159.11661	20.0
161.13217	15.6
163.11159	7.7
163.14856	10.0
165.12756	22.3
169.10130	7.8
171.11684	9.7
173.13313	20.2
175.11237	3.2
175.14825	31.5
177.11259	3.8
177.16371	37.7
179.14336	3.8
183.11746	4.2
185.13295	10.9
187.14822	12.3
189.12593	2.6
189.16402	9.9
195.11696	3.5
195.17456	4.4
197.13350	2.9
199.14923	4.1
201.16254	6.1
203.14290	3.8
203.17932	6.0
205.19521	3.4
209.13197	3.0
213.16394	13.7
215.17909	12.7
217.19209	3.6
219.13771	4.0
223.14922	4.3
225.16377	6.9
227.17964	5.9
229.19516	6.0
231.17488	3.9
232.71550	2.6
237.16434	3.7
239.17964	3.6
243.17465	5.3
255.17474	3.2
257.18982	3.0
261.18585	4.2
267.17474	3.4
281.21072	3.3
333.25687	14.7
351.26978	2.9
359.25693	6.1
380.01544	2.6
391.33655	5.0
407.33151	7.4
409.29706	4.0
409.34546	33.1
419.33038	18.3
425.34146	16.6
427.35703	23.2
437.34109	36.3
455.29282	5.3
455.35217	81.2
456.35422	5.0
466.83228	3.4
473.36249	45.0
508.26486	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	508.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
55.05513	2.6
57.07076	1.2
67.05499	3.2
69.03439	0.9
69.07053	3.2
69.23763	2.9
71.08659	0.5
79.05500	3.0
81.03437	0.6
81.07052	7.2
83.04989	0.8
83.08622	1.9
91.05472	2.9
93.07040	5.5
95.04980	2.0
95.08606	12.2
97.06532	2.2
97.10188	1.3
99.08073	1.3
103.27200	0.5
105.07027	9.5
107.08603	5.9
109.06530	1.6
109.10164	5.7
111.08080	100.0
119.08584	6.6
121.10145	89.0
122.10442	0.6
123.08067	30.7
123.11703	7.8
125.09647	1.4
133.07594	0.7
133.10136	2.1
135.11700	2.8
137.09615	19.0
137.13216	4.7
138.09837	0.6
139.11194	1.8
144.48158	0.5
144.81990	0.5
145.10141	1.4
147.11688	9.7
149.09692	0.9
149.13269	1.9
151.11189	1.8
159.11690	1.4
161.13243	0.9
163.11226	0.7
163.14876	0.7
165.12758	24.6
166.13091	0.6
173.13260	0.9
175.14810	1.1
177.16408	0.7
179.14218	0.6
181.12230	0.8
183.13791	7.5
187.14801	1.0
195.00278	0.9
201.16324	0.8
229.19527	0.7
257.22687	3.4
275.23694	99.8
276.24155	2.5
292.23926	0.7
303.23199	0.9
305.24890	0.7
352.71570	0.5
421.34528	0.8
439.35580	1.9
457.36688	1.6
487.67154	0.5
508.27145	2.7
509.24969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
57.07082	1.6
62.49721	0.9
64.30416	0.8
67.05502	12.1
68.05840	1.4
69.03445	0.8
69.07062	6.7
70.68551	0.9
76.22257	0.8
79.05504	6.5
81.07057	14.1
82.07368	1.0
83.04974	2.5
83.08617	3.5
85.06551	1.2
91.05472	5.1
93.07034	12.3
95.04967	2.7
95.08604	19.1
97.06524	2.5
97.10165	2.3
99.08096	3.4
103.05457	1.1
105.07023	13.4
107.08600	9.5
109.06522	2.1
109.10151	15.1
110.85126	0.9
111.08077	58.6
111.11710	1.6
113.06037	1.0
119.08575	6.8
121.10139	100.0
122.10493	1.9
123.08070	20.9
123.11700	9.8
125.09634	2.0
131.08568	2.0
133.07565	1.4
133.10086	5.7
135.11694	7.3
137.09607	14.9
137.13278	4.4
139.11171	2.1
145.10091	4.1
147.11681	9.8
147.12729	1.1
149.09641	1.4
149.13245	3.8
151.11183	2.1
157.10085	1.0
159.11685	2.5
161.13258	2.0
163.11205	4.7
163.14824	1.8
165.12744	26.8
173.11815	1.7
173.13252	1.4
175.14810	1.2
177.12723	2.4
181.12245	3.2
183.13831	6.7
187.14828	1.0
188.92458	1.1
189.12698	1.2
195.13707	1.4
196.03775	0.8
199.13313	2.1
199.15060	1.0
205.19507	3.4
217.15829	1.3
229.14441	2.2
229.19292	1.1
230.14647	1.3
231.20996	1.2
245.22508	1.0
255.21269	1.0
257.22635	1.8
262.22498	1.6
273.22156	2.5
275.23703	45.8
335.25659	1.3
336.26453	1.4
393.27603	0.9
439.35541	3.9
457.36807	2.5
490.35913	3.5
508.27380	10.5
508.35645	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.0
56.96570	12.7
57.07069	4.3
67.05511	11.4
69.07070	15.8
69.44595	9.3
72.83194	2.9
79.05510	9.4
81.03442	4.0
81.07060	28.9
83.08635	5.7
84.96056	3.6
85.06554	3.3
91.05503	6.9
93.07037	13.1
95.05000	5.7
95.08611	27.9
97.10180	6.5
98.97609	9.8
105.07052	6.8
107.08620	8.8
109.10184	13.6
109.87489	2.4
112.28659	2.7
116.98671	4.7
119.08606	4.1
121.10146	6.5
123.11731	6.5
125.13329	3.7
131.08568	3.3
133.10155	2.6
135.11734	3.8
137.13298	4.6
149.13274	3.9
151.00746	7.5
167.98177	2.9
169.01752	15.8
176.98627	5.4
177.09135	3.8
181.04930	5.6
187.02898	8.6
194.99672	37.2
195.06596	9.1
209.08218	4.3
213.00717	82.3
218.01282	3.8
223.09772	8.6
227.87692	2.4
231.01909	8.8
236.02321	4.0
237.00891	5.9
237.11421	4.3
245.06235	4.6
255.01833	6.3
275.27487	3.5
289.05435	12.3
293.28418	6.6
303.05383	18.7
317.17743	10.4
321.06503	18.4
335.08554	3.6
335.18735	11.3
345.06564	6.1
363.07797	4.3
371.07632	3.8
375.07629	5.6
389.08600	17.7
423.09979	3.3
465.10806	25.0
465.24673	8.3
473.29291	8.0
491.23532	4.1
491.30148	14.1
508.22836	7.5
509.10794	100.0
509.23392	99.8
509.30576	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	509.1295
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03944	0.4
53.84673	0.3
55.01870	0.6
57.03430	1.0
61.02938	2.1
65.03934	0.4
68.99788	0.8
69.03431	3.5
71.04434	0.3
71.04993	1.0
73.02910	0.7
79.05515	0.4
81.03410	1.9
81.07051	0.5
85.02911	10.3
90.72559	0.3
91.03963	0.7
91.05495	0.7
93.07005	0.4
97.02892	3.8
99.04473	0.4
105.03375	0.4
107.04950	0.5
109.02885	1.0
121.02903	2.0
123.04453	0.4
125.06031	0.4
127.03907	2.0
137.02342	1.4
137.05984	0.5
139.03889	4.1
145.04942	1.1
147.04420	0.3
150.03186	0.7
151.03917	1.7
151.04935	0.3
153.01831	6.4
153.05475	4.5
154.06253	0.7
163.03923	0.5
163.07507	0.6
165.01852	2.0
169.04991	0.4
177.09232	0.4
178.02611	0.4
181.04965	2.2
183.02921	0.7
185.05936	0.3
201.05429	0.5
207.06531	1.1
213.05475	0.5
215.03682	0.3
221.08255	0.5
224.04785	0.4
229.04976	1.3
230.05678	0.7
231.06587	0.9
233.04103	0.4
241.05020	1.0
244.03737	1.4
255.03055	0.7
257.04446	1.4
258.05246	5.3
259.06003	2.7
269.04370	1.6
272.03079	0.5
283.02505	0.4
284.03238	0.6
285.03989	1.7
286.04645	4.8
287.05487	9.2
288.06180	0.4
289.03430	0.7
291.08673	2.4
302.04150	0.8
303.04965	2.6
313.03473	0.6
314.04218	1.1
315.04935	3.3
318.07233	0.6
331.04477	5.7
332.05304	3.5
338.55066	0.4
347.07617	100.0
348.07996	2.6
398.14594	0.4
465.13510	0.5
509.12280	2.2
509.19763	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	509.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01880	0.5
55.05503	0.3
57.03435	0.4
65.03941	3.7
67.05502	2.8
68.99809	0.2
69.03408	0.8
69.07053	0.7
71.43155	0.2
74.83264	0.2
77.03935	0.4
79.05484	1.1
81.03427	1.2
81.07038	0.9
82.04202	2.0
83.04991	0.3
83.08607	0.3
85.02901	3.0
85.06548	0.3
89.45895	0.3
91.05489	1.2
93.03417	1.9
93.07042	0.9
95.04974	1.4
95.08595	0.7
97.02877	0.7
97.06542	1.5
97.10188	0.3
99.04465	0.3
99.08060	0.3
105.04535	0.5
105.07058	0.2
107.04944	0.6
107.08591	0.5
108.02094	0.3
109.02895	0.5
109.06467	0.3
109.10151	0.9
110.03664	2.6
111.04443	0.9
111.08113	0.2
119.04942	0.6
119.08574	0.3
120.02058	0.4
121.02901	0.4
121.10148	0.4
123.00793	0.9
123.01645	0.2
123.04425	0.2
123.11690	0.4
125.05126	0.3
125.05994	4.2
127.03936	1.1
129.07030	0.3
131.04887	0.4
133.02855	0.8
133.10129	0.3
134.05916	0.2
135.04388	0.3
137.02332	3.0
137.05980	1.9
138.03116	5.7
139.03905	0.7
140.04672	0.6
143.04941	0.3
147.04427	0.5
149.02325	0.4
150.03087	1.2
151.03920	1.5
151.07527	0.8
153.05458	0.8
159.04428	0.8
161.05940	0.7
162.03102	0.5
163.03830	0.3
163.07515	0.4
165.05519	0.3
165.09177	0.3
166.02669	1.5
167.03310	0.3
170.02101	0.6
171.06538	10.6
175.03909	0.5
175.07549	0.6
176.04700	0.6
177.01816	1.9
177.05499	0.4
178.02574	0.3
178.04961	0.5
179.03401	0.6
181.04950	100.0
182.05322	1.7
186.03189	0.2
187.03897	0.9
189.09045	0.5
189.16362	0.2
190.02617	0.3
191.03464	1.3
191.07048	0.3
193.04953	0.8
194.02094	0.7
195.02902	0.6
197.04492	0.4
199.03914	0.4
199.05968	0.5
204.04150	0.7
205.04958	1.5
206.02127	0.5
207.02852	0.3
209.04459	6.8
215.03403	0.7
216.04182	0.4
219.02986	0.3
219.06540	1.1
221.04478	1.9
223.05980	0.4
227.07133	0.3
229.04955	0.3
231.02855	0.3
232.03494	0.3
233.04398	1.6
237.03929	0.3
241.07083	0.6
243.02850	0.3
243.15791	0.3
243.19499	0.4
244.16261	0.4
247.06012	2.0
251.05486	0.9
257.04443	0.3
260.03098	0.9
263.05533	0.8
275.05487	4.5
279.10175	0.2
281.06494	0.4
283.08142	0.9
293.06485	2.4
311.07602	0.7
311.12625	0.3
320.42987	0.2
347.07574	0.9
509.14676	0.4
509.23404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60503	1.9
53.12234	2.1
55.05509	5.5
56.96560	6.6
57.17093	2.3
59.12699	2.3
59.61712	2.2
62.72573	3.0
67.05489	6.9
69.07053	4.2
69.12126	11.6
69.12534	3.9
79.05503	2.2
81.07064	12.2
84.96017	2.7
86.08402	2.2
93.07041	6.0
95.08595	9.2
97.10160	2.9
98.97576	22.7
105.07021	3.7
107.08594	4.6
109.06453	2.7
109.10157	3.6
110.97546	6.5
116.98616	6.6
121.02843	3.0
121.10095	2.4
123.11736	2.6
128.98593	6.6
131.00130	3.0
131.08545	2.9
133.10146	2.5
137.05984	11.2
140.98660	2.7
145.10139	3.2
151.07538	7.4
158.99643	2.3
161.01225	2.5
175.07574	3.0
181.04977	3.8
189.09201	4.9
195.06552	12.2
195.08112	2.4
195.10251	2.5
205.12241	6.9
209.08038	4.9
214.48050	2.4
219.01746	10.8
223.09642	9.0
237.02821	12.0
237.11214	4.8
245.06357	3.7
249.11259	3.3
279.09039	6.4
289.05228	10.4
297.10318	7.0
317.17484	3.8
321.10071	4.5
335.18359	2.6
423.13220	51.4
423.23038	2.8
441.14169	3.6
455.28094	2.6
464.22891	3.4
465.14838	22.1
465.24243	5.8
473.28900	9.6
491.22452	11.8
491.29947	13.8
508.22208	11.6
509.13998	100.0
509.23138	96.4
509.30817	29.6
510.23282	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
65.03942	4.0
67.05489	3.0
70.73143	0.8
79.05476	2.3
81.03396	1.3
82.04190	1.9
82.44540	0.6
85.02906	5.4
91.05468	1.2
93.03410	1.9
93.07040	2.2
95.04947	1.7
97.02874	1.7
97.06527	1.0
97.21101	0.7
105.07014	0.9
109.02840	0.9
109.10150	0.9
110.03661	2.2
111.04398	1.0
119.04919	0.8
120.04514	0.8
121.10115	1.6
122.10476	1.2
123.00891	0.7
125.05999	4.3
131.04837	0.7
133.02805	0.9
137.02354	1.7
137.05971	2.4
138.03099	4.7
139.03978	0.9
145.02878	1.0
145.04935	1.2
147.04399	1.0
151.03903	0.9
151.07550	1.8
153.05457	1.3
159.04369	0.8
161.05956	1.2
166.02657	1.3
171.06532	10.8
175.04004	0.8
177.01843	1.8
177.05443	2.1
179.07008	3.5
179.59749	0.6
180.07234	1.1
181.04951	100.0
182.05247	0.9
187.03935	0.7
191.03421	1.9
191.07016	3.3
191.10686	0.9
192.07381	2.5
197.04376	1.0
204.04283	0.8
205.04979	1.0
209.04434	5.8
209.08116	1.2
210.08365	1.3
215.03427	1.4
221.04387	1.6
232.03702	0.7
233.04359	1.2
241.07063	0.7
247.06006	1.8
251.05493	1.2
260.03107	0.7
261.10913	3.9
263.05630	1.2
271.04248	0.8
275.05435	3.5
283.08014	1.1
289.05292	2.8
289.10349	0.7
293.06528	2.1
347.07639	3.3
423.16336	9.1
447.16089	1.2
465.17245	27.7
466.17627	1.3
491.21976	0.9
509.16232	93.4
509.22623	4.1
510.16620	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	509.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04528	0.5
53.13808	0.6
64.15433	0.5
68.09113	0.5
68.28237	0.5
69.10526	1.1
69.10935	2.1
79.49481	0.6
84.11901	0.5
95.08583	0.6
98.22761	0.9
105.07025	0.8
119.08601	0.5
127.65542	0.5
128.29161	0.6
227.05243	0.7
245.06419	1.4
270.29135	0.7
289.05331	3.6
290.06006	0.7
317.08487	0.7
377.15710	1.3
423.23495	1.3
447.23520	0.8
463.79504	0.7
465.24411	4.9
491.22485	4.4
509.19052	100.0
510.20505	2.5
512.32336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2304
Annotation	Asukamycin B-II
Peak:m/z	Relative Intensity
57.07059	0.8
62.40828	0.5
67.09466	0.5
69.27556	3.3
71.06796	0.6
71.08643	0.9
77.61251	0.5
89.06023	0.8
108.97268	0.6
144.78133	0.5
156.87102	0.6
186.76216	0.6
195.00305	1.1
379.68518	0.6
480.11285	0.6
509.22980	100.0
510.23163	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
76.98115	0.9
81.07079	1.5
81.72360	0.9
94.27432	1.0
107.64841	1.1
113.51263	0.9
137.06042	1.8
156.29826	1.0
177.09059	1.1
200.92203	1.0
340.12134	1.1
405.82431	1.1
426.09579	1.1
509.22974	100.0
509.30682	3.4
510.23486	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	509.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99660	0.3
58.00665	0.3
58.59866	0.3
62.97007	0.3
69.07051	0.4
118.74475	0.3
119.08595	0.3
127.00053	1.1
132.05527	0.4
141.05243	0.8
149.02400	0.5
169.01128	0.6
169.04686	1.9
185.04187	1.0
193.04929	0.5
194.05479	0.4
227.05290	1.0
241.10516	0.6
243.04781	2.2
245.06352	0.4
261.18231	4.4
271.04257	1.3
287.03720	3.9
289.05225	2.2
289.17725	0.4
303.19315	0.5
313.16180	2.0
355.17261	3.7
399.16211	1.8
405.22430	0.7
423.23444	5.1
424.23926	0.4
465.24585	14.5
466.24658	0.6
478.58994	0.4
492.65286	0.3
509.23538	100.0
510.23819	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	509.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04139	0.4
53.57994	0.4
62.64394	0.4
65.05828	0.5
66.76961	0.4
67.05489	1.0
69.07060	0.5
70.26445	0.4
70.52370	0.7
81.07053	1.1
93.07032	0.9
95.08604	0.7
98.22730	0.6
100.11259	0.7
105.07038	0.8
105.19831	0.4
107.08601	0.6
109.10159	0.9
119.08540	1.0
121.10201	0.5
167.03244	0.4
182.15381	0.9
185.04253	0.7
210.14879	1.2
227.05261	1.0
243.04771	0.9
245.06284	1.8
261.18228	1.1
261.46378	0.5
271.04214	1.4
287.03671	1.1
289.05240	3.2
303.18002	0.7
314.61005	0.5
405.22256	0.8
423.23431	5.3
447.23636	3.0
465.24591	17.2
466.25153	0.7
491.22589	7.6
509.23550	100.0
510.23810	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	509.236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76152	0.2
58.47839	0.2
60.85311	0.3
69.24460	1.4
91.84798	0.2
93.07021	0.3
95.08604	0.6
105.07011	0.5
107.08602	0.3
109.10175	0.3
119.08555	0.5
121.10199	0.3
125.45566	0.3
133.10106	0.5
147.11713	0.4
167.03122	0.4
185.04243	0.7
227.05280	1.6
229.03207	0.5
245.06302	0.9
271.04196	3.2
287.03574	0.3
289.05255	4.5
405.22284	0.4
423.23349	3.3
425.41656	0.3
447.23724	1.7
465.24600	6.7
491.22522	3.1
509.23532	100.0
510.23892	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	509.2361
Annotation	Difluprednate
Peak:m/z	Relative Intensity
68.62383	0.6
69.27561	1.2
69.27963	3.0
77.40105	0.7
81.07048	1.5
85.76706	0.6
93.07026	0.8
107.08617	0.7
147.11705	0.7
156.48120	0.6
159.17110	0.7
203.05379	1.0
219.03302	0.8
245.06435	1.6
261.18436	0.8
271.04150	1.0
287.03690	0.7
289.05237	5.9
405.22461	1.0
423.23563	3.9
447.23621	4.1
465.24701	16.1
491.22589	18.3
509.23505	100.0
510.23502	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	509.2511
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
57.07066	1.0
61.00178	0.4
61.49533	0.5
69.76316	1.6
71.08620	1.1
85.10181	0.8
89.06028	1.9
98.23228	1.3
102.40923	0.5
110.28557	0.5
120.92068	0.4
133.08588	1.3
137.05971	0.8
151.07562	0.7
154.06296	1.1
166.06287	0.8
171.85741	0.5
175.03682	0.6
177.09065	0.8
182.96735	0.5
191.10619	0.6
310.80652	0.4
327.62292	0.5
481.25488	1.6
509.25079	100.0
510.25525	3.6
513.05646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2514
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
55.05522	0.7
55.61382	0.7
58.19343	0.7
62.06061	0.8
67.05492	1.0
79.05486	1.2
81.07061	1.0
93.07054	0.9
95.08584	1.0
98.23327	0.7
105.07039	0.7
107.08599	1.0
117.07037	0.8
119.08628	0.6
121.06480	0.7
121.10158	0.8
137.06000	5.1
139.07549	2.2
151.07509	5.9
163.07607	1.0
165.09116	1.5
167.07005	3.2
175.07491	0.8
177.09125	9.1
177.10597	1.1
181.08583	1.0
184.07359	0.8
191.10652	3.0
197.48874	0.6
203.10675	0.7
213.04138	0.6
217.12279	1.1
231.13849	0.8
245.15561	0.9
352.05698	0.7
352.10178	0.8
357.20554	2.1
368.32578	1.1
429.31601	1.5
481.25192	1.7
509.25104	100.0
509.32101	6.1
510.25360	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	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65481	0.2
58.67934	0.2
82.44577	0.2
83.55411	0.2
95.04990	0.2
146.21982	0.2
156.23276	0.2
175.03700	0.5
181.08801	0.3
184.07292	0.3
194.82600	0.2
341.21060	0.7
368.66269	0.2
479.23685	1.4
494.26120	2.3
509.28751	100.0
510.29141	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
67.05492	0.8
71.10316	0.7
71.87801	0.5
76.05383	0.5
81.07059	0.6
87.72071	0.5
90.21841	0.5
91.05508	1.1
98.23038	0.8
123.95409	0.5
125.06004	1.1
137.05994	0.9
139.07571	1.9
151.07578	2.1
153.05405	0.7
163.07547	0.5
166.06314	0.8
167.07103	1.6
175.03656	0.7
177.09174	1.1
181.08742	0.6
189.09166	0.6
191.10692	1.6
193.08627	0.7
205.12357	2.0
227.54399	0.5
231.13869	0.6
341.20987	1.9
429.31818	1.5
465.56250	0.6
479.24008	5.2
494.26273	5.6
509.28839	100.0
510.29352	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	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35813	0.3
57.07077	0.6
67.05500	0.4
69.34423	1.5
71.08644	0.5
79.05498	0.3
81.07070	0.5
89.06030	0.6
95.08604	0.3
95.65203	0.3
119.08642	0.5
133.08617	0.8
140.80328	0.3
151.07564	0.4
153.05455	0.4
161.06039	0.3
163.07558	0.5
167.07074	0.6
177.09172	0.5
177.35040	0.3
191.10797	0.3
215.10818	0.4
261.69949	0.3
299.56461	0.3
380.37250	0.3
509.28943	100.0
510.29254	4.4
516.03967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14727	0.3
67.05491	0.3
68.00916	0.3
74.12955	0.3
80.01875	0.3
81.07056	0.4
89.06049	0.3
102.74284	0.2
137.05975	2.7
151.07613	0.4
163.07503	1.4
172.59691	0.3
177.09114	1.8
203.10596	0.4
319.72311	0.3
333.82358	0.3
429.31717	0.4
491.32184	0.4
509.28876	100.0
510.22864	0.5
510.29260	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	509.3112
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.44282	0.9
55.01870	1.5
55.05511	20.0
60.79044	1.0
67.05506	14.6
69.03428	3.5
69.07064	18.8
69.82424	0.9
79.05482	11.5
81.03431	1.4
81.07058	31.8
83.01329	2.4
83.04983	1.5
83.08650	5.2
85.02909	1.5
85.06531	1.8
91.05479	5.8
92.27578	1.0
93.07041	16.8
95.01307	1.6
95.04965	4.4
95.08604	26.4
97.02903	1.1
97.06517	2.5
97.10162	14.3
99.00818	15.2
99.04420	5.5
105.07022	5.1
107.04945	3.5
107.08601	13.2
109.02821	1.3
109.06520	3.1
109.10151	16.9
111.08061	1.4
111.11725	2.1
112.37408	1.0
113.02385	2.3
117.01834	1.9
117.07007	1.5
119.08598	4.7
121.06521	2.7
121.10143	9.3
123.08101	1.6
123.11737	4.9
125.05949	1.8
125.09669	3.2
129.06992	1.6
131.08565	2.6
133.06537	1.4
133.10141	3.3
135.04398	1.3
135.08043	2.6
135.11694	5.1
137.05992	3.4
137.09613	1.3
137.13303	1.2
139.07492	1.8
139.11176	2.6
145.06490	1.6
145.10126	5.0
147.11719	1.5
149.06023	2.7
149.09613	2.1
149.13269	1.7
151.07558	5.2
153.05493	3.2
153.12712	1.3
155.07037	2.7
159.11731	1.9
161.05956	2.2
161.09631	2.0
163.03864	2.5
163.07600	3.2
165.09091	1.8
171.08064	1.8
173.13309	1.8
175.07567	3.9
177.05487	4.9
177.09122	3.6
179.10677	1.3
181.04951	18.4
183.06566	6.5
189.09117	14.0
189.10947	1.4
191.07071	2.4
191.10695	1.3
191.18025	1.4
193.12338	2.4
195.06525	49.3
203.10783	1.9
205.08624	1.6
205.12105	1.2
207.06490	3.5
209.08066	20.3
209.09775	1.6
213.12909	1.1
215.10670	1.4
217.12206	2.2
219.10228	1.5
219.13817	2.6
221.08127	4.3
223.09644	30.5
235.09695	4.0
237.11229	19.2
245.15460	1.6
249.11259	8.8
249.18364	1.6
251.12808	5.0
257.15625	2.2
261.11212	2.9
263.12839	2.7
265.14267	1.4
271.16815	1.3
275.12741	1.6
277.14297	1.7
289.05481	1.6
289.14456	1.2
291.16003	2.9
293.17407	2.6
303.15775	2.8
305.17511	4.3
307.18942	8.4
315.15933	1.6
317.17416	14.5
319.19104	4.6
321.20862	1.3
329.17532	3.5
331.19205	2.2
335.18521	7.6
357.20883	1.4
367.22604	2.5
385.23627	1.2
401.30679	1.6
427.28409	4.4
437.26843	1.6
445.29556	10.8
455.28082	10.0
459.27490	3.2
465.10767	1.5
473.29031	35.8
474.29343	1.4
487.95682	1.1
491.30054	63.6
492.30353	3.4
509.23755	7.1
509.31088	100.0
510.31235	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	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01867	1.9
55.05516	17.2
57.03410	1.1
57.07070	2.9
61.02915	1.4
65.03941	1.0
67.05499	9.2
69.03418	3.7
69.07066	9.4
69.35625	1.2
70.02628	2.1
70.02942	1.7
71.04992	2.1
79.05486	6.6
81.03407	3.4
81.07052	15.4
83.01363	1.1
83.05004	2.0
83.08612	2.9
85.02898	4.0
85.06548	1.8
91.05479	29.3
93.07049	11.0
95.04958	2.4
95.08595	11.7
97.02859	2.9
97.06534	2.8
97.10168	12.8
99.00816	8.6
99.04462	3.0
99.08123	1.2
105.07027	4.0
107.04950	1.1
107.08603	8.2
109.02885	2.4
109.06532	2.3
109.10158	9.2
111.11664	1.3
113.02343	2.1
117.07006	1.8
119.08565	4.0
121.06494	1.4
121.10143	6.4
122.10946	1.1
123.11697	4.4
125.05973	1.9
125.09641	2.9
127.03921	2.0
131.08549	1.8
133.10135	2.2
135.04393	3.2
135.08095	2.2
135.11678	3.3
137.06056	2.1
137.13139	1.1
139.11150	1.5
145.10107	3.4
147.11723	1.5
149.06021	1.6
149.13252	1.6
151.07578	2.9
151.11111	1.3
153.05444	3.0
155.07066	1.6
161.05957	1.4
163.03896	2.3
163.07556	1.5
163.11136	1.2
163.14792	1.5
165.09152	2.4
175.07576	3.4
177.05446	4.2
177.09087	2.2
179.10670	2.8
180.10162	2.2
181.04951	14.5
183.02953	2.6
183.06532	4.8
189.09109	6.5
191.07056	1.6
191.10614	1.3
193.12186	1.2
195.02850	1.6
195.06517	33.2
203.10568	2.7
207.06526	1.4
207.10120	1.3
209.08067	13.1
221.08138	3.4
223.09607	19.8
235.09612	3.9
237.11179	13.4
249.11240	7.6
251.12743	6.6
263.12817	2.5
277.14032	1.1
289.05286	3.5
291.15948	1.4
293.17435	2.8
305.17639	2.6
307.19031	2.0
317.17355	2.7
319.19043	3.6
321.20721	1.7
331.18845	1.3
347.18304	2.5
347.22253	1.5
357.11658	4.7
357.20581	1.3
388.73257	1.1
427.28400	4.5
429.29849	2.9
437.26944	1.8
445.29376	11.2
455.27765	4.3
465.24802	3.1
473.29034	32.1
473.35809	1.7
474.29666	1.2
491.30023	100.0
492.30194	5.1
509.16211	6.0
509.23395	19.5
509.30933	23.1
509.36932	1.5
510.23630	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3264
Annotation	Stellettin I
Peak:m/z	Relative Intensity
53.03934	2.3
55.05504	3.0
66.91521	1.5
67.05502	9.2
69.42110	7.1
70.91805	1.4
73.23580	1.3
74.09702	5.9
79.05487	10.1
81.07059	10.1
83.01373	1.6
91.05474	14.3
91.92199	1.7
93.07039	7.4
95.04946	4.5
95.08586	5.7
96.05780	1.6
98.23078	6.0
105.07018	5.5
107.04948	3.7
107.08559	3.6
109.06546	1.7
111.08064	2.1
117.07012	6.4
121.06517	11.7
121.10118	4.7
123.08029	4.6
124.05205	7.1
125.05944	1.9
129.07005	3.2
130.98260	1.6
131.08546	6.1
135.08075	11.2
136.05182	3.8
137.05948	10.7
137.09601	1.6
139.06445	3.6
139.07536	72.8
143.08527	3.4
145.06517	4.7
145.10146	2.3
147.07985	3.5
149.09636	2.9
151.07539	100.0
152.08203	1.8
153.05458	7.7
155.08531	1.5
158.07240	1.9
159.08049	5.3
161.05989	4.2
161.09622	2.6
162.06743	3.9
163.07532	3.8
165.09129	19.3
167.07034	89.5
171.08141	1.8
173.09554	2.0
174.06712	3.0
175.07556	6.9
175.11118	2.2
176.08339	10.7
177.09096	36.9
177.12636	1.8
185.09648	2.6
187.07590	1.9
188.08333	2.8
189.09120	16.1
190.09904	3.7
191.10658	71.4
193.08658	5.0
201.09010	3.8
203.10683	9.1
205.12228	27.9
207.10204	6.2
217.12242	30.3
219.13718	3.1
229.12415	1.7
231.13751	31.1
245.15352	7.8
335.57455	1.7
355.26135	2.1
401.23230	2.2
477.29852	3.5
509.32773	43.5
510.32898	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	509.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72329	0.5
53.03936	0.7
53.08720	0.4
55.05510	0.8
63.24701	0.5
65.26927	0.4
67.05516	3.7
68.95715	0.4
69.07048	0.5
69.20419	2.5
77.31321	0.5
79.05494	5.4
81.07056	3.6
91.05476	1.9
93.07041	2.8
95.04963	1.1
95.08595	2.1
103.05444	0.9
104.52526	0.4
105.03474	0.4
105.04443	0.7
105.07011	1.1
107.04968	3.3
107.08602	1.1
109.06552	2.2
109.10181	0.5
115.05474	0.8
117.07065	0.7
119.08595	0.7
121.06499	4.1
121.10145	1.8
123.04405	1.4
125.05976	2.0
128.06276	0.5
129.07016	1.0
133.06436	0.8
133.10162	0.5
135.08015	1.4
135.11696	0.5
136.05228	1.0
137.05981	39.6
138.06764	1.7
139.03899	1.0
139.07553	2.4
143.08586	0.8
144.05757	0.5
145.06459	0.8
147.04427	2.3
147.08069	1.0
149.05981	0.6
149.09618	0.5
151.03914	3.0
151.07549	12.5
152.61494	0.6
153.05467	1.3
154.06242	5.3
157.06599	0.5
159.08072	0.5
160.05164	2.1
161.05977	7.1
161.09581	0.6
162.06760	9.2
163.07532	10.5
165.09068	0.7
166.06261	30.5
167.07040	4.9
168.07841	1.2
169.08592	2.1
174.06757	3.4
175.07549	28.0
175.11169	2.2
176.08279	2.8
177.09126	5.2
180.07803	0.9
181.05031	0.5
181.08594	15.8
184.07288	1.0
185.63582	0.4
187.07542	2.1
188.08368	2.7
189.09090	6.3
190.09918	1.0
191.10707	2.3
193.08540	0.8
196.07292	0.7
201.09093	1.2
203.10667	100.0
204.11121	1.2
205.12357	0.6
207.10201	2.5
214.09763	0.6
215.10692	2.8
217.12238	40.3
218.12662	0.8
219.13889	0.8
221.11694	3.3
229.12268	1.4
231.13786	4.6
235.13359	0.6
243.13918	2.5
245.15378	1.6
341.24808	0.7
385.27164	0.6
387.21719	1.2
396.33017	0.7
401.23303	4.1
423.61246	0.6
426.79675	0.5
467.28305	0.6
477.30188	0.9
479.23978	1.8
494.26126	1.4
509.32291	53.9
510.32773	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	509.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
55.05511	19.4
57.03429	2.7
57.07077	7.8
60.01868	1.5
67.05508	21.0
69.03406	3.2
69.07069	35.6
71.04974	4.8
71.08626	3.4
79.05482	12.5
81.03397	3.9
81.07056	63.8
83.05001	1.9
83.08621	19.7
85.02908	11.8
85.06564	7.0
91.05460	6.1
93.07057	13.7
95.04955	5.7
95.08604	74.7
96.32712	1.5
97.02892	2.7
97.06535	2.2
97.10175	14.8
99.04480	1.8
99.08076	5.8
105.07027	3.7
107.04960	2.8
107.08611	14.0
109.02868	1.8
109.06497	2.0
109.10161	41.8
111.08089	2.3
111.11701	12.0
119.08572	4.8
121.06460	2.5
121.10156	11.3
123.11700	22.6
125.09634	1.9
125.13229	4.3
127.11183	2.1
129.06981	1.7
131.08542	2.8
133.10127	2.8
135.08006	1.8
135.11705	8.8
137.05948	2.1
137.13240	11.1
143.14294	3.4
145.04996	2.3
145.10158	3.2
147.11678	3.3
149.13271	12.4
151.14821	16.9
153.12675	3.2
155.14226	1.5
158.10510	1.3
163.11092	1.7
163.14790	5.4
165.16423	7.5
167.14313	2.5
169.15833	2.1
177.16405	3.1
179.17896	3.2
183.13855	1.9
183.17386	1.7
193.12277	2.6
193.19545	2.0
195.06526	3.2
197.19026	1.8
199.20621	2.7
205.19600	2.4
211.13220	1.8
211.27095	1.4
219.20987	1.9
223.09549	2.2
237.10962	2.0
243.04718	1.8
247.38150	1.4
275.27390	7.0
281.28278	4.4
287.03818	3.4
289.05255	12.6
293.28381	22.9
311.29465	12.6
385.23672	1.8
423.23267	2.5
447.23422	2.0
459.27087	2.8
465.24542	10.5
473.28897	1.8
491.22186	4.4
491.29999	4.1
509.23361	100.0
510.23892	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	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05292	2.5
55.05511	25.2
57.03408	3.1
57.07079	11.2
59.05001	2.2
67.05502	27.0
69.03420	2.8
69.06715	4.6
69.07069	53.8
71.04974	2.5
71.08618	9.3
74.78561	2.0
79.05489	15.8
81.03414	4.7
81.07056	92.5
83.08617	31.1
85.02891	6.7
85.06520	12.0
85.10155	3.1
91.05473	7.7
93.07051	13.7
95.04955	4.8
95.08608	95.7
97.02860	3.1
97.06506	2.2
97.10171	24.8
99.08093	11.3
105.07028	8.4
106.21213	2.8
107.08582	14.2
109.10154	56.4
110.06416	2.1
110.10545	2.9
111.11734	22.1
117.07008	2.6
119.08572	4.0
121.10158	10.9
123.11713	28.8
125.13293	9.4
127.11211	5.8
129.12738	3.4
131.08577	3.4
133.06491	2.5
133.10143	3.5
135.11668	7.7
137.13248	14.5
143.14278	3.8
145.10068	3.6
149.13268	12.3
149.80139	2.3
151.14789	17.7
153.16341	3.3
163.11176	2.9
163.14789	5.3
165.16385	10.3
179.17996	6.2
183.17497	3.6
186.70044	2.2
193.19476	2.4
199.20549	4.0
219.21062	3.9
222.52364	2.5
237.22038	4.1
245.06499	2.6
253.84346	2.2
261.14685	3.6
267.15875	2.9
271.04239	4.6
275.27295	9.7
281.28314	15.8
287.03714	10.2
289.05307	15.2
293.28357	21.4
311.29404	24.9
329.30408	2.7
423.23288	2.5
465.24524	7.9
491.21988	11.2
509.23453	100.0
510.23782	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	509.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65424	2.0
53.03941	4.2
55.01878	2.5
55.05510	26.7
56.56992	1.9
57.07075	8.9
65.03937	2.8
67.05508	34.8
68.35901	2.0
68.99792	4.0
69.03429	2.7
69.06709	4.1
69.07071	60.2
70.62574	2.7
71.01360	4.1
74.10719	1.7
77.03904	2.1
79.05488	22.1
81.07060	100.0
83.04999	2.7
83.08633	14.5
86.61361	1.7
91.05480	16.8
93.07047	33.4
95.04973	7.0
95.08606	53.8
96.44511	1.8
97.06530	2.3
97.10185	8.8
105.07034	59.6
107.04976	2.2
107.08591	28.1
109.06519	6.7
109.10155	51.3
111.04446	12.6
111.11697	3.2
115.05450	2.7
117.07022	4.3
119.04958	9.3
119.08585	34.1
121.06501	6.1
121.10157	19.7
123.04435	3.0
123.08067	3.0
123.11716	18.3
125.05989	4.7
128.06242	2.1
129.07008	6.2
131.08585	17.9
133.06508	6.4
133.10135	19.4
135.08076	5.0
135.11710	11.4
135.49806	1.9
137.05981	7.6
137.13260	8.8
139.03909	32.5
139.07571	2.2
142.07733	3.1
143.08554	14.3
144.09381	2.8
145.06442	2.3
145.10155	18.0
147.04408	3.8
147.08051	5.7
147.11719	20.6
149.05922	2.4
149.09697	2.5
149.13260	3.0
151.11159	2.4
153.05496	19.6
155.08604	5.4
157.10168	10.8
157.11285	2.0
159.08080	6.0
159.11708	12.7
161.06024	5.8
161.09656	3.0
161.13268	8.0
163.03938	2.6
163.07603	5.3
163.14729	2.2
165.05544	5.9
165.09146	3.4
169.10124	4.5
169.91080	2.0
171.08086	6.9
171.11696	7.7
173.09564	3.3
173.13268	6.3
175.07573	6.0
175.11165	3.2
175.14760	2.9
177.09135	5.9
177.16389	2.5
179.07047	5.8
179.08548	2.1
181.10147	4.7
183.11670	3.9
185.09642	4.2
185.13271	5.4
187.07542	6.1
187.14828	4.3
189.09175	4.3
191.17970	3.0
193.10158	2.2
194.10875	2.0
195.11681	4.4
197.09633	3.6
197.13292	4.5
199.11218	2.4
199.14790	4.5
201.09152	5.9
201.16382	10.3
203.17964	13.8
207.13869	2.4
209.13339	2.7
211.11328	3.2
211.14772	2.6
213.09055	3.3
213.12822	3.4
213.16530	2.3
215.14362	2.6
215.18216	2.3
223.14746	2.1
251.17877	2.7
283.20688	2.2
301.21808	2.5
305.76590	1.8
311.20053	2.5
339.30692	2.4
355.26123	2.1
373.27429	8.7
383.29272	4.9
385.27362	1.9
395.32794	2.6
398.20465	2.0
409.30490	4.5
411.32629	2.4
421.30704	2.5
423.32724	11.8
427.32092	2.6
435.32584	13.8
435.39389	4.1
441.33441	6.0
445.38129	4.6
453.33838	3.5
453.40677	4.9
463.39523	12.8
473.37927	3.6
481.40070	3.9
491.38837	89.4
492.39252	4.6
509.39935	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	510.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01881	5.3
55.05518	1.7
57.03427	3.5
58.11372	0.7
61.02924	3.5
64.91165	0.7
65.03927	2.0
66.35076	0.8
67.05497	1.7
68.99807	1.4
69.03432	11.7
69.07069	1.7
70.53133	1.0
71.04980	4.6
73.02917	5.3
79.05493	2.8
81.03414	13.7
81.07050	3.1
85.02901	35.7
86.03258	0.8
87.00829	13.6
91.05479	100.0
92.05804	0.9
93.07056	2.7
95.04976	1.9
95.08640	0.8
97.02892	29.2
99.04461	7.4
105.01862	13.7
105.02545	1.2
107.04970	2.8
109.02881	12.5
109.06535	2.1
113.72704	0.8
115.03831	1.1
117.01867	2.4
121.10172	1.0
125.09640	0.9
127.03916	33.4
129.01859	1.4
137.02313	0.9
139.96715	0.8
145.04955	26.4
147.02850	1.0
159.02873	12.9
159.27670	0.7
213.03922	2.1
231.05054	6.1
245.08202	2.8
285.47354	0.8
303.62778	0.8
367.18503	0.9
367.22754	1.5
460.27631	1.3
466.24695	1.6
478.29062	1.3
492.22867	2.5
492.29819	0.8
509.23734	1.4
510.23923	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	510.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85614	0.6
53.03962	1.2
55.01874	1.2
55.05510	1.1
57.07084	0.8
58.75591	0.5
61.02931	0.9
62.26953	0.6
65.03941	2.8
69.03429	3.7
69.29229	2.3
73.02909	1.2
81.03421	5.2
83.08607	0.9
85.02909	11.5
87.00831	4.4
90.51948	0.7
91.05480	100.0
92.05773	1.0
97.02895	8.7
99.04444	2.6
100.11264	2.3
105.01874	5.8
109.02873	5.5
110.28257	0.5
117.01809	0.6
117.66431	0.6
127.03913	11.8
129.01843	0.8
129.06989	0.8
139.22887	0.5
145.04950	7.6
159.02881	3.1
165.09154	1.0
167.03386	3.6
175.27664	0.6
182.15462	1.5
209.16531	0.7
210.14874	0.8
217.08466	0.7
227.06935	0.9
231.04980	1.8
245.08113	2.1
466.24033	1.3
509.40671	2.3
510.23917	5.9
510.40802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01874	0.7
57.03437	0.8
61.02935	2.1
69.03436	3.3
69.61823	2.0
71.75437	0.5
79.05482	1.0
81.03414	4.2
85.02908	19.4
87.04443	0.7
91.03959	1.2
95.05010	0.6
96.14897	0.5
97.02901	6.1
99.04476	1.8
107.01339	0.9
107.04932	1.2
109.02902	5.6
110.03655	1.5
123.63244	0.5
125.05934	0.6
127.03912	6.1
137.02344	100.0
138.02710	1.1
139.03923	1.6
145.04971	10.6
151.03932	4.5
153.01830	5.7
155.03372	0.7
163.06023	2.3
169.04965	96.9
170.05315	1.2
180.08621	0.7
181.04872	0.6
242.86522	0.5
246.47354	0.5
259.06009	0.7
261.07526	0.6
305.06357	1.5
313.09058	1.0
316.04156	0.5
478.04584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01871	7.3
55.05507	0.8
57.03433	1.5
60.04519	0.4
61.02914	1.5
67.05497	2.6
68.99777	0.6
69.03432	6.3
69.07061	4.0
70.49728	0.4
70.50140	0.7
71.04995	2.9
73.02908	1.7
79.05502	3.4
81.03419	6.8
81.07058	4.6
83.04972	0.9
85.02906	13.9
85.06539	3.1
87.00827	5.3
88.19463	0.4
91.05491	2.0
93.07048	6.4
95.04954	1.2
95.08612	5.7
97.02885	6.8
97.06530	4.1
99.04459	6.4
99.05085	0.7
101.06033	0.7
105.01868	2.9
105.07029	6.5
107.04950	0.7
107.08591	19.1
108.04447	0.7
108.08948	0.5
109.02878	5.9
109.06523	4.2
109.10141	1.0
111.08081	1.4
111.11745	0.5
113.05999	3.1
115.03925	0.7
115.07531	0.4
117.01838	0.8
117.06973	0.4
119.08581	1.8
121.06495	3.0
121.10135	6.9
123.04359	0.4
123.08064	3.3
123.11725	0.5
124.07607	1.8
125.05978	0.7
127.03915	7.7
127.07568	0.9
129.01833	1.1
131.08543	0.8
135.08038	0.7
135.11693	5.4
139.11217	0.9
145.04947	3.4
145.10114	4.9
147.11671	1.1
149.09628	2.4
151.07567	4.3
153.12714	1.1
159.02896	2.9
163.11182	16.2
165.12735	0.5
167.10675	8.6
169.08597	57.8
170.08926	0.6
173.09642	1.7
181.12228	12.0
185.11678	3.8
189.09090	0.9
191.10661	8.0
209.11731	10.5
213.03992	0.6
219.10164	2.3
227.12772	100.0
228.13116	2.1
231.04956	1.0
245.13840	4.0
285.12283	0.8
331.67590	0.4
347.07669	0.7
348.07874	1.7
422.09460	0.5
429.30429	0.4
466.19919	0.5
492.17377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88267	0.6
53.03948	1.6
55.01865	8.8
55.05498	1.0
55.31332	0.6
57.03422	1.9
61.02913	1.2
67.05493	2.2
69.03425	7.3
69.07071	5.2
69.27773	1.7
69.28177	2.3
71.04981	2.8
73.02905	1.6
78.23543	0.6
79.05495	3.8
81.03419	5.9
81.07051	5.0
82.06603	0.8
83.04983	0.8
85.02901	14.5
85.06541	4.1
87.00830	5.8
87.04490	0.7
91.03939	1.2
91.05468	1.8
93.07046	8.1
95.04982	1.0
95.08613	7.7
97.02888	7.2
97.06519	5.3
98.23454	1.6
99.04460	5.7
105.01857	2.5
105.07020	6.0
107.04945	1.4
107.08594	20.9
108.09000	0.7
109.02875	5.6
109.06509	4.4
111.08076	1.6
113.06015	2.6
113.74877	0.6
115.03876	0.9
117.01885	0.9
119.08549	1.8
121.06506	3.8
121.10148	7.0
123.08012	3.1
123.11661	0.7
124.07574	3.7
124.08415	0.6
127.03910	7.9
127.07555	1.2
129.01799	1.4
129.07021	0.7
131.08572	1.2
135.08032	0.9
135.11678	5.5
139.11256	1.2
145.04997	3.3
145.10126	6.2
147.04433	1.2
147.11606	1.0
149.09622	3.4
151.07559	5.2
153.12727	1.7
159.02846	3.2
163.11182	20.0
165.09224	0.8
167.10670	7.3
169.08597	59.0
170.08974	1.0
173.09659	1.8
181.12227	11.5
185.11702	3.0
189.09106	1.0
191.10681	7.2
193.12296	0.7
199.13385	0.8
209.11739	10.1
219.10130	2.4
219.17593	0.7
227.12770	100.0
228.13176	2.3
231.05048	1.0
245.13792	3.7
262.93259	0.7
287.65662	0.8
295.15436	0.7
348.07999	3.0
436.41360	0.7
466.36801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09338	1.7
53.03963	2.0
55.05510	5.6
57.03435	3.0
67.05508	7.2
69.03429	7.8
71.44847	1.9
73.02906	2.4
77.03888	2.0
79.05483	12.6
81.07040	5.6
83.04983	3.0
85.02901	15.4
88.63591	1.5
91.05474	9.5
93.07039	7.0
95.04967	9.1
95.08589	3.4
97.02893	6.9
99.04449	4.5
100.11254	3.9
105.07030	12.4
107.04946	22.8
107.08601	3.3
109.02924	2.1
109.06504	5.3
109.10147	35.8
111.04474	2.5
113.02464	2.1
117.06996	2.6
119.08554	8.8
121.06509	1.9
123.04382	2.2
125.05943	1.9
127.03925	2.9
128.06218	3.8
129.07008	6.4
129.74782	2.0
133.04955	1.8
133.06509	2.2
133.10123	14.7
135.08057	2.3
137.05995	1.7
137.09605	54.1
139.03915	5.5
139.11211	6.3
141.01752	1.8
143.03459	1.9
143.08542	11.9
145.04968	3.4
145.10147	3.4
146.07291	2.4
147.08037	20.8
151.11195	4.4
153.01822	25.9
153.02943	3.5
161.06009	3.6
161.09605	100.0
165.09111	87.0
169.12262	4.7
179.10672	7.5
181.04973	15.3
181.12207	3.1
189.09138	11.5
195.06612	2.0
197.11711	2.8
199.13281	13.3
207.10149	81.9
215.06949	2.2
223.06001	17.5
225.11209	43.8
243.43776	1.8
247.06172	2.1
260.84375	1.8
261.07410	2.1
287.09030	2.7
299.14914	7.4
305.06503	2.9
317.15994	6.6
327.06134	1.9
349.09283	4.4
390.09412	1.7
401.14496	7.7
467.15704	2.2
510.40250	5.4
511.13779	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
58.85928	0.5
69.32922	2.3
73.02889	0.6
85.02892	0.6
89.80655	0.5
91.05493	0.5
92.56492	0.4
98.23526	0.5
115.05443	0.6
123.11807	0.6
128.06192	0.6
129.07022	3.2
131.04961	0.7
131.08568	5.1
137.05980	0.5
141.06975	3.4
143.08559	0.9
145.06503	0.7
157.06496	3.3
158.07265	1.6
159.08057	4.6
160.05205	0.7
161.09566	0.8
169.06491	2.0
170.07191	1.0
171.08046	1.3
173.09662	0.5
174.06755	8.7
175.07552	3.2
186.06760	2.2
188.08234	0.6
189.09096	19.2
191.10709	1.8
201.09099	7.8
203.10643	2.2
207.10085	0.6
219.10162	100.0
220.10550	2.0
221.11761	1.7
237.11218	2.5
339.61932	0.6
427.93106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10703	1.0
55.05485	1.0
57.03470	1.1
60.04524	2.9
60.16567	1.0
67.05511	2.7
69.03446	3.6
69.42125	4.6
71.04992	2.5
73.02943	1.8
79.05511	2.3
81.07082	4.4
83.05027	1.1
85.02908	11.5
85.60006	1.0
91.05527	1.7
93.07073	2.5
95.04958	1.2
95.08594	1.3
97.02934	2.8
97.06570	1.7
98.22660	2.0
103.46733	0.9
105.07006	2.1
107.04975	3.6
107.08616	2.1
109.06542	2.3
109.10152	7.2
119.08604	1.3
123.11709	2.6
125.05995	1.8
127.03954	2.0
129.07001	5.0
131.08546	5.0
133.10138	3.6
137.02382	3.0
137.09622	8.1
138.02727	1.2
138.81421	1.0
141.07005	3.1
143.06981	2.0
143.08591	3.5
145.05014	2.6
145.06468	1.7
145.10118	1.2
147.08090	4.4
151.03941	1.4
151.07558	1.9
151.11174	9.9
157.06503	5.6
158.07312	1.7
159.08002	5.5
160.05302	1.5
161.09602	15.0
163.06041	1.6
165.09116	11.0
167.03488	1.9
169.06561	2.0
169.12302	4.4
170.07310	1.6
171.07936	1.5
174.06773	10.3
175.07562	2.7
179.10713	1.4
181.05052	1.5
186.06812	1.9
189.09106	27.6
191.06978	1.0
191.10640	2.4
201.09097	9.3
203.10771	1.6
207.10165	10.5
219.10170	100.0
225.11186	7.1
237.11243	2.6
243.12314	1.2
268.96121	1.1
269.86749	1.0
299.01920	1.2
299.14972	4.1
301.00034	1.1
317.16028	1.7
330.26389	1.8
331.04645	3.7
331.17468	2.2
348.27188	1.3
456.44363	1.2
462.10651	1.2
510.11371	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25163	0.9
57.03432	2.7
70.16356	2.4
73.02912	3.3
85.02878	1.4
89.07961	1.0
89.67841	1.2
91.05470	2.4
93.07018	2.5
97.47794	1.0
103.05483	5.8
107.08539	1.1
109.10176	2.0
117.07014	2.2
119.04943	1.3
121.06501	1.0
121.10148	1.7
122.03615	1.4
131.04907	12.2
135.08098	1.0
137.05960	21.3
139.07556	1.4
149.05940	1.5
149.13231	2.3
151.07538	13.0
159.10115	1.3
161.06004	1.1
162.06766	1.7
163.07532	41.4
175.07550	3.6
177.09100	100.0
178.09412	1.5
189.09090	3.3
195.08104	2.0
195.10002	2.3
209.15369	1.7
221.11728	14.5
227.10678	2.9
227.16522	1.3
255.10126	2.9
285.11185	1.8
287.12762	4.2
311.12631	1.5
313.14227	3.8
331.15375	16.4
343.15479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.05503	5.6
57.03431	11.9
59.04996	3.1
61.02931	3.3
65.12093	2.4
67.05495	8.7
69.03426	40.3
69.04036	3.2
69.07063	9.9
70.06566	2.7
71.04994	6.1
73.02913	5.9
73.93678	2.5
79.05499	7.5
81.03409	5.7
81.07064	20.9
83.04978	7.0
83.08600	3.9
85.02907	57.9
85.06552	4.1
87.04464	20.9
91.05477	8.2
93.07050	27.6
95.04977	7.1
95.08607	50.2
97.02897	69.2
97.06529	5.2
99.04427	4.5
105.07038	19.3
107.08599	22.5
109.10165	12.7
109.79986	2.6
111.04445	46.5
111.08089	3.1
113.05959	3.9
115.03936	38.6
119.08580	7.3
121.02880	11.5
121.06498	3.6
121.10143	86.9
123.08054	39.2
123.11704	33.6
125.05981	8.9
127.03915	9.8
129.07011	4.3
133.04962	27.8
135.11707	24.5
137.05919	3.2
139.03928	6.0
139.11160	13.9
142.39029	2.5
145.04942	5.4
145.10129	47.4
147.08002	3.0
151.03886	3.5
151.11220	5.0
153.12744	14.9
157.06468	3.9
161.04469	2.6
163.11183	61.5
163.68884	2.8
167.10728	3.5
180.13766	4.7
181.12239	100.0
189.09071	13.0
198.74721	2.7
199.13283	94.1
205.12285	3.3
207.00035	2.6
207.10201	10.3
219.10292	13.4
227.16313	3.0
295.15448	12.2
313.16415	18.1
343.17636	13.5
347.07669	4.8
348.08170	15.3
348.11667	2.9
361.18591	6.9
415.03470	2.8
492.30743	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	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01874	2.2
55.05514	3.8
57.03431	1.5
61.02919	1.0
67.05519	0.6
69.03427	4.6
69.07068	7.5
71.08629	11.8
73.02910	1.8
81.03413	6.1
81.07053	3.5
83.04989	0.9
83.08614	8.9
85.02906	14.6
85.06546	6.2
87.00822	7.0
91.05473	6.0
93.07048	1.5
95.08598	2.8
97.02892	8.7
97.06566	0.7
98.22694	1.2
99.04456	2.4
99.08086	12.8
105.01852	3.7
107.08610	1.2
108.79739	0.6
109.02885	5.2
109.10172	1.2
111.08076	100.0
112.08441	0.8
117.01828	0.9
117.09118	1.1
119.08561	0.7
121.02848	1.0
121.10185	0.9
123.08146	1.0
123.11693	2.3
124.07665	0.7
127.03922	9.2
127.07522	0.7
127.13845	0.7
129.09109	0.8
137.02310	1.5
145.04947	3.1
147.11671	3.7
155.14301	78.2
156.14716	0.9
159.02890	3.1
165.12773	2.3
181.12183	1.6
183.13794	78.4
201.14841	38.0
201.16737	1.5
202.15273	1.0
209.15285	1.7
227.16396	30.9
231.05153	1.8
245.17451	3.6
449.76855	0.7
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
53.03947	2.9
55.05514	18.2
57.03432	4.3
59.04996	3.5
61.02922	10.6
67.05512	8.3
69.03434	12.3
69.07073	11.2
70.02130	3.5
70.02448	3.0
71.04994	5.3
72.04521	3.9
72.74665	2.5
73.02915	3.3
74.87107	2.3
76.89336	2.2
79.05507	6.9
81.03411	7.4
81.07058	10.1
83.04978	10.2
83.08643	11.4
85.02911	33.3
85.06538	3.4
87.00829	7.6
91.05482	5.5
93.07055	8.7
95.04964	13.1
95.08638	6.4
97.02884	13.8
97.06541	6.3
98.06085	3.9
99.04478	6.0
105.01885	8.2
105.07049	7.2
107.08603	14.8
109.02890	6.9
109.06522	7.6
109.10156	14.2
111.04428	5.0
111.08088	3.8
111.11713	3.8
119.08606	4.7
121.10146	24.8
123.04435	4.5
123.08046	3.5
123.11754	4.9
125.09675	3.1
127.03889	13.7
131.08565	4.4
132.30980	2.9
133.10110	13.3
135.08075	2.7
135.11728	4.4
136.28856	2.2
137.02342	5.2
139.03903	14.4
145.04984	10.4
147.11719	2.8
149.13330	4.7
151.03963	3.5
151.11163	17.2
153.01830	46.1
153.02913	3.0
153.09143	6.0
153.12767	7.9
163.11243	2.6
163.14784	4.8
167.14349	17.0
169.05080	5.2
173.13300	9.9
191.14339	16.7
194.15425	5.4
198.14343	2.7
200.07109	2.6
209.15373	100.0
210.15639	3.0
212.16393	15.7
227.16426	10.4
249.70335	2.5
286.19870	3.5
287.05441	3.4
299.16208	2.2
304.21225	44.8
305.06610	11.2
330.22778	6.9
366.51804	2.3
466.26431	39.3
492.28149	14.2
510.18420	12.0
510.29239	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01868	2.9
55.05511	4.1
57.03434	6.2
57.07061	2.9
57.36363	0.9
59.05001	14.0
61.02930	5.8
63.26889	1.1
67.05496	6.4
69.03426	17.7
69.07068	14.8
69.30174	4.5
71.04989	20.7
73.02914	2.9
79.05499	8.4
81.03416	11.1
81.07058	27.1
83.04985	2.6
83.08633	2.7
85.02901	78.1
85.06567	2.0
87.00840	1.7
87.04477	2.7
91.03970	3.4
91.05491	6.7
93.07037	15.6
95.04984	5.4
95.08594	8.9
97.02887	20.5
97.06540	1.9
99.04462	4.1
105.01833	5.3
105.04563	1.1
105.07029	7.5
107.04967	1.7
107.08597	17.3
109.02867	7.5
109.06512	9.4
109.10158	32.9
111.08055	8.5
111.11724	6.5
115.03912	0.9
119.08590	2.2
121.06496	2.1
121.10147	5.1
122.14935	1.0
123.08086	2.1
123.11705	35.3
126.44437	0.9
127.03912	21.5
128.42229	1.0
129.05466	1.8
131.08507	1.5
133.10132	16.2
135.08096	1.8
135.11693	3.8
137.05949	1.1
137.09610	4.0
139.03899	3.7
145.04953	25.8
147.08136	1.1
147.11589	1.4
151.11177	100.0
152.11508	1.6
153.12737	28.1
156.75888	1.1
161.09630	5.0
163.06020	11.7
165.09178	3.6
165.12695	2.8
169.12233	34.3
173.13289	1.4
175.11205	1.4
176.76698	1.2
179.10620	1.2
181.55573	1.0
189.09161	1.2
191.14331	2.6
193.12257	2.1
207.10181	3.6
209.15315	5.5
225.11203	2.3
226.88451	1.0
227.12836	1.1
227.16429	7.4
249.06049	2.7
258.80203	1.0
267.15884	1.9
268.41388	0.9
282.23169	1.0
285.17056	1.2
295.15411	3.6
297.02023	1.0
299.14880	3.2
313.16403	7.4
325.11163	6.7
331.17514	16.3
416.93320	1.3
462.00858	1.0
510.25372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01421	2.4
50.44810	2.2
53.03947	5.9
55.01874	4.3
55.05509	12.3
57.03444	7.3
57.07069	5.4
58.86148	2.3
59.05019	2.7
61.02937	2.7
67.05507	7.1
69.03433	16.6
69.07057	6.9
71.01462	3.6
71.04990	7.4
73.02925	4.0
79.05494	10.0
81.03410	15.6
81.07068	11.6
83.04989	5.2
83.08628	11.1
85.02907	44.5
85.06525	4.2
86.28132	2.6
87.00816	15.7
91.05496	10.1
93.07045	24.6
95.04971	34.4
95.08610	11.1
97.02886	17.6
97.06538	11.4
99.04458	19.2
99.08112	4.2
105.01869	16.4
105.07034	18.9
107.04964	6.3
107.08601	29.1
109.02867	15.4
109.06522	18.8
109.10153	17.7
111.08096	3.3
117.06979	3.5
119.08591	14.1
121.06452	2.7
121.10141	66.0
123.04414	3.5
123.08071	11.4
123.11715	4.0
125.09645	4.3
127.03909	24.0
127.07523	4.4
131.08562	13.3
133.10132	69.3
134.64240	2.4
135.08054	10.4
135.11705	7.3
137.09639	16.1
139.03987	3.4
139.11195	11.7
143.08662	2.9
145.04962	7.4
145.10170	4.9
147.08057	5.0
147.11676	22.7
149.13268	6.1
151.03920	2.7
151.07588	3.0
151.11200	5.2
153.01834	8.3
153.09093	17.1
159.02892	4.2
161.09604	24.7
161.13266	2.9
163.11172	5.6
163.14825	11.4
165.09106	17.7
165.12759	9.0
167.06992	3.2
167.14236	3.6
171.10233	5.2
173.13274	34.1
179.10608	4.3
182.04506	3.9
189.09111	4.7
191.14302	82.6
192.14653	2.5
203.03175	12.3
207.10129	14.2
209.15372	93.7
213.04015	2.9
225.11234	12.6
227.16422	100.0
231.05042	4.4
263.16696	2.5
281.13913	3.8
299.15097	9.5
304.83545	2.5
313.16422	3.3
317.16791	2.4
321.40332	2.7
331.10028	18.2
356.43265	2.6
403.17645	4.9
421.18472	3.8
510.12582	7.8
511.13928	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
54.14138	0.6
55.01873	1.5
55.05508	3.1
57.03437	11.8
59.04980	1.2
60.04528	1.1
61.02921	1.0
62.58108	0.6
65.03576	0.6
67.05503	1.9
69.03419	3.9
69.07062	1.1
71.01338	1.0
71.04995	75.2
73.02917	3.1
75.04486	7.6
79.05502	3.7
81.03424	1.7
81.07057	4.6
83.04983	13.6
85.02907	100.0
87.04470	2.4
91.05473	3.4
93.07044	21.5
95.04973	4.7
95.08599	2.0
96.08204	0.6
97.02894	5.9
97.06525	2.2
99.04466	3.4
101.06027	0.7
103.03969	1.0
105.07027	4.0
107.04956	2.1
107.08598	3.6
107.60008	0.6
109.02865	1.0
109.06539	2.0
109.10163	6.2
110.06055	1.3
111.04453	8.9
111.08092	2.7
115.03932	0.7
117.07053	1.7
119.08594	4.6
121.06512	1.6
121.10152	20.0
121.10996	1.3
122.10414	0.6
123.04437	0.7
123.08045	0.7
123.11709	0.8
125.06011	2.1
127.03900	3.6
129.05482	43.3
131.08557	1.2
133.10124	3.6
135.08028	1.4
135.11693	1.1
136.07587	1.3
137.05969	1.7
137.09618	5.2
139.11166	3.7
141.01807	0.8
143.08572	1.3
144.06552	0.6
145.04965	2.3
145.06439	0.6
145.10168	1.9
146.08119	1.7
147.06529	22.3
147.08037	2.2
147.11696	1.2
149.09621	4.9
153.12698	1.1
154.08640	2.6
155.10730	1.5
159.08032	1.0
161.09616	10.6
162.07642	0.6
163.06081	0.8
163.11211	2.3
164.07072	1.9
164.09183	2.0
165.07671	0.9
165.09100	6.7
167.10674	18.8
167.43652	0.6
173.09613	1.2
175.11189	0.7
179.10713	2.0
181.12212	0.6
182.08131	5.8
183.10188	2.9
185.11653	0.9
189.09132	1.7
191.10709	2.8
193.12256	0.7
203.10661	1.0
207.10150	6.5
209.11746	8.7
209.15363	0.9
213.12773	0.9
225.11185	11.6
231.13802	1.2
233.04433	0.9
233.11554	0.6
237.07735	0.9
243.12334	0.7
249.14871	1.6
255.08675	2.0
259.13266	2.7
271.09784	1.0
273.09869	1.2
277.14359	3.8
281.13852	0.6
295.15402	7.1
299.14859	5.9
309.11829	2.0
313.10745	2.3
313.16391	2.0
313.29404	0.6
317.15857	0.7
331.11722	1.4
333.05423	1.2
347.07660	1.3
348.07990	2.4
352.55170	0.6
449.94128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01856	1.3
55.05255	1.2
55.05507	14.0
57.03424	1.9
57.07065	1.0
59.04995	0.8
60.92828	0.7
61.02921	1.7
67.05498	3.9
68.99802	0.6
69.03420	5.8
69.07059	3.9
69.37624	1.2
69.38026	2.5
71.04978	1.9
71.90216	0.6
73.02911	1.1
79.05486	3.2
81.03416	3.4
81.07054	6.5
83.04975	11.3
83.08610	12.3
85.02902	16.1
85.06530	2.3
85.77965	0.6
87.00814	4.0
90.11494	0.6
91.03911	0.8
91.05477	2.8
93.07039	7.6
95.04965	9.8
95.08583	4.7
96.10071	0.6
97.02891	6.2
97.06548	3.7
97.10155	2.3
99.04472	4.5
105.01868	6.5
105.07016	5.3
107.08593	12.3
109.02862	3.9
109.06519	6.8
109.10145	12.0
109.88181	0.6
111.04492	1.0
111.08078	4.0
113.09628	1.0
115.07545	1.4
119.08569	4.7
121.06493	0.7
121.10139	19.0
123.04409	0.7
123.08013	1.6
123.11694	4.3
124.03955	0.7
125.09618	3.4
127.03906	9.4
129.06964	0.8
131.08528	3.0
133.10127	14.3
135.08047	1.9
135.11667	1.9
137.02313	1.7
139.03886	2.8
139.11188	1.3
143.03299	0.7
145.04938	4.4
145.10088	1.8
147.11665	3.6
149.09555	1.5
149.13258	4.1
151.03883	1.3
151.11180	16.7
153.01816	11.1
153.09100	4.2
156.78986	0.7
158.10912	1.7
159.02893	1.3
163.03978	0.6
163.06021	1.1
163.14803	5.8
163.46327	0.6
165.12660	0.6
167.14294	19.0
169.04980	1.7
173.13257	6.0
175.14804	2.7
175.63800	0.6
191.14304	9.5
193.15868	0.8
209.15356	100.0
210.15665	1.7
212.16441	1.8
227.16406	10.3
231.04971	2.3
243.44775	0.6
249.06082	1.2
259.05939	0.8
261.07523	1.0
271.17468	0.5
286.19888	0.9
287.05420	0.9
299.16141	0.8
304.21088	5.0
305.06464	2.2
317.17282	1.2
348.23764	0.9
403.17374	1.0
421.18253	0.9
466.26627	4.3
510.09976	1.5
510.17801	1.1
510.28674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01874	2.2
55.05514	3.8
57.03431	1.5
61.02919	1.0
67.05519	0.6
69.03427	4.6
69.07068	7.5
71.08629	11.8
73.02910	1.8
81.03413	6.1
81.07053	3.5
83.04989	0.9
83.08614	8.9
85.02906	14.6
85.06546	6.2
87.00822	7.0
91.05473	6.0
93.07048	1.5
95.08598	2.8
97.02892	8.7
97.06566	0.7
98.22694	1.2
99.04456	2.4
99.08086	12.8
105.01852	3.7
107.08610	1.2
108.79739	0.6
109.02885	5.2
109.10172	1.2
111.08076	100.0
112.08441	0.8
117.01828	0.9
117.09118	1.1
119.08561	0.7
121.02848	1.0
121.10185	0.9
123.08146	1.0
123.11693	2.3
124.07665	0.7
127.03922	9.2
127.07522	0.7
127.13845	0.7
129.09109	0.8
137.02310	1.5
145.04947	3.1
147.11671	3.7
155.14301	78.2
156.14716	0.9
159.02890	3.1
165.12773	2.3
181.12183	1.6
183.13794	78.4
201.14841	38.0
201.16737	1.5
202.15273	1.0
209.15285	1.7
227.16396	30.9
231.05153	1.8
245.17451	3.6
449.76855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.12189	1.2
55.01881	1.7
55.05512	1.5
57.03431	5.0
57.07098	1.3
58.10992	1.2
61.02936	8.7
67.05502	4.4
69.03431	14.7
69.07072	28.6
70.06572	1.4
71.01326	1.3
71.04994	3.4
73.02901	2.1
81.03408	7.2
81.07069	10.3
83.08621	2.5
85.02905	100.0
86.03257	1.3
87.04443	2.8
91.03955	5.0
91.05457	1.9
93.07034	2.2
95.04970	1.8
95.08633	3.3
97.02888	24.4
99.04464	4.8
100.11269	4.4
107.08611	1.8
109.02881	9.0
109.06509	2.1
109.10153	5.9
115.03966	1.5
119.08518	1.9
123.08060	1.3
123.11703	35.3
127.03922	27.2
133.10101	1.7
139.03923	2.0
144.06552	1.4
145.04961	55.6
145.10097	1.3
151.11179	37.4
158.64975	1.2
163.05988	15.5
169.12215	3.4
177.09233	1.4
181.05138	1.4
281.17401	1.6
313.16446	4.2
391.57260	1.4
509.40408	3.3
510.23691	6.5
510.40759	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01870	2.7
55.05507	3.4
57.03425	2.9
57.07081	1.7
61.02930	1.4
66.52478	0.7
67.05513	4.2
67.15163	0.6
69.03441	7.5
69.07070	11.3
70.06572	1.0
71.05014	4.2
71.08627	2.2
73.02910	3.4
79.05486	2.3
80.37320	0.8
81.03419	5.6
81.07062	17.5
81.42607	0.8
83.04985	2.5
83.08627	3.6
85.02909	27.9
85.06538	3.2
85.10166	1.7
87.00822	6.7
91.03984	1.2
91.05480	2.8
93.07041	2.7
95.04976	1.5
95.08608	5.5
97.02909	7.6
97.06516	2.2
97.10193	1.1
99.04460	6.1
99.08075	1.3
101.02390	3.6
105.01841	3.8
105.07031	6.7
107.08627	4.5
109.02887	5.0
109.06512	3.0
109.10185	1.7
111.08079	1.3
113.06002	2.0
115.07552	1.2
117.01875	0.9
119.08585	4.1
121.02883	1.7
121.10152	8.0
123.08075	2.6
123.11716	23.5
127.03919	9.1
127.07573	5.4
133.10115	0.9
135.11687	1.4
137.13234	2.0
139.03909	1.2
141.09084	2.5
145.04951	2.6
147.10582	1.6
147.11696	27.0
148.36063	0.7
155.14307	5.8
159.02863	3.0
160.07642	0.8
165.12767	17.2
183.13812	75.8
184.14188	0.9
201.14861	100.0
202.15198	1.9
213.05591	1.2
227.16388	1.1
231.05055	2.4
295.22659	1.1
333.13284	2.3
407.16833	1.1
425.17926	2.1
431.18762	0.9
510.24393	6.3
511.21585	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	2.2
65.03940	1.3
67.05527	0.6
68.41149	0.5
69.54647	1.8
70.06565	0.7
72.04507	1.3
72.08149	2.5
78.81101	0.5
81.03845	0.4
84.08138	1.7
84.64212	0.5
85.02911	0.4
89.03907	2.3
91.05476	11.7
97.33674	0.4
98.22718	0.6
112.11230	2.6
113.10767	2.6
114.09161	8.5
117.03368	9.4
119.04939	25.1
120.05296	0.6
121.06497	0.5
131.11836	0.8
134.03607	0.9
135.04399	1.4
145.02843	46.1
147.04401	74.9
148.04752	0.6
149.05963	4.1
153.93936	0.5
155.11790	2.8
163.03819	0.5
170.16451	0.9
171.14917	7.3
177.05463	85.5
178.05786	1.0
186.05481	0.7
188.17577	19.2
204.10196	6.2
214.15474	2.5
218.10480	1.3
219.08910	0.9
225.34013	0.5
233.12813	3.1
234.11240	64.7
235.11621	1.3
275.70212	0.5
305.18585	1.2
316.20193	2.6
317.18469	2.8
318.12457	0.5
334.21216	13.0
346.21234	36.4
347.19952	0.7
349.20041	0.5
360.18936	0.7
364.22278	100.0
365.22592	2.2
457.05341	0.5
510.25974	4.6
511.17404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87908	0.6
55.01862	1.3
65.03931	3.2
67.05508	25.4
69.03431	2.8
69.07055	0.8
70.71883	1.0
71.04964	0.6
79.05505	1.0
81.03411	0.8
81.06205	0.6
81.07056	0.7
83.05020	1.0
85.02908	2.1
91.05481	0.9
92.74519	0.6
93.07034	1.0
95.04973	10.2
95.08650	0.8
99.04482	1.3
107.04928	1.1
109.10176	0.8
110.06057	1.2
119.04944	1.7
130.18907	0.7
131.04947	1.3
133.02884	0.7
133.05017	0.7
135.04449	0.7
137.05978	1.0
138.05505	87.8
139.05765	0.9
147.04401	1.9
149.02316	1.2
150.03145	1.1
151.03908	2.3
153.05414	2.0
159.04422	2.5
162.03156	1.5
163.03949	3.0
165.05489	1.1
166.05006	100.0
167.03368	0.8
167.05313	1.4
167.06967	1.2
173.02310	0.6
175.03929	3.2
176.04739	0.6
177.01822	1.0
177.05481	2.8
178.02589	1.8
179.03374	3.3
179.06891	0.7
180.00542	1.8
181.04919	1.7
183.06529	0.7
184.06136	0.8
187.03897	2.1
190.02614	1.4
191.03397	11.6
191.07082	0.8
193.04964	5.0
195.02907	8.0
195.06442	0.8
197.04475	6.3
199.03926	0.7
202.02586	0.6
204.04138	0.9
205.04979	8.2
207.02863	2.0
207.06584	1.1
209.04437	9.2
211.02461	0.8
215.03387	1.6
217.05040	1.1
219.03006	1.4
219.06502	3.3
221.04453	4.1
223.02414	2.2
223.05986	3.8
225.03986	0.6
233.04468	12.7
235.05956	1.7
245.04503	2.1
247.06099	4.0
251.03055	1.1
251.05533	16.8
257.04303	0.9
263.05481	13.8
275.05594	4.0
281.06525	1.5
293.06531	6.4
299.74228	0.6
311.07584	7.2
329.08685	7.0
494.13031	11.3
511.18796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2149
Annotation	3-[4-[1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxyisopropoxy]-2-hydroxyphenyl]propyl alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
61.37133	0.6
62.39239	0.5
64.33366	0.5
70.66689	0.8
100.35744	0.5
125.22521	0.6
126.46420	0.5
317.08539	1.1
330.67365	0.6
379.17014	0.8
382.76846	0.5
511.21460	100.0
512.21729	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	511.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31787	0.5
69.28458	0.5
98.23462	0.8
112.45338	0.5
150.39429	0.5
175.43504	0.5
184.07312	0.7
464.47610	0.5
511.24524	100.0
512.24994	2.5
530.87622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68563	1.2
65.17789	1.1
69.07062	1.5
69.22466	2.6
69.22873	4.5
77.88760	1.1
81.07018	1.2
98.05343	1.1
98.23619	1.1
102.94851	1.3
108.02038	1.1
120.13786	1.2
167.06998	1.5
177.48381	1.3
181.77592	1.2
263.04190	1.2
294.55914	1.4
357.40811	1.6
426.97342	1.6
493.25562	5.4
511.24570	100.0
512.24799	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	511.2674
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
57.07068	0.7
67.05517	0.6
70.70734	0.7
70.71085	1.0
94.99483	0.6
121.06501	0.9
123.04442	1.8
137.06006	1.6
140.04826	0.8
151.07481	0.9
161.06017	0.9
163.07523	0.6
168.04243	1.2
182.05717	0.8
188.47275	0.7
189.09053	3.1
192.28815	0.7
203.10687	1.7
479.27328	1.0
493.25494	9.8
511.26633	100.0
512.26556	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	511.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	0.9
55.05514	14.6
57.03438	5.7
57.07075	7.3
60.13076	0.7
67.05504	13.1
69.07069	20.6
69.27543	3.8
71.08612	2.7
79.05496	6.2
81.07058	12.6
82.71442	0.8
83.08620	13.7
85.10200	1.1
91.05471	1.0
92.06866	0.8
92.40204	0.7
93.07051	5.9
95.04945	1.0
95.08608	12.1
97.06521	2.0
97.10165	7.9
98.22631	0.9
98.98470	23.4
107.08583	3.9
109.10156	5.2
111.08078	1.6
111.11736	1.8
121.10146	9.2
123.11723	1.3
125.05998	1.4
135.11670	3.5
137.05940	0.9
137.17751	0.7
139.07559	1.6
149.13254	2.0
151.14650	0.9
153.05457	2.9
155.01030	14.3
157.32175	0.7
167.07024	3.6
173.02124	2.2
193.08615	1.2
195.26860	0.8
229.04710	1.6
247.05705	1.6
247.13300	1.1
247.24205	1.1
257.62158	0.8
265.25241	3.5
312.89212	1.0
339.28925	100.0
340.29279	2.9
383.49515	0.7
411.28751	1.0
463.37570	0.8
475.28165	6.8
481.64297	0.7
483.30759	0.9
511.33249	4.4
512.49756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.6
57.03437	7.8
57.07074	7.1
67.05505	13.2
69.07070	24.2
69.85099	1.4
69.85431	2.2
71.08634	3.6
79.05483	8.3
81.07056	18.2
83.08620	17.0
85.06538	1.0
88.07652	1.0
89.05997	1.5
90.64715	0.9
91.02539	0.8
91.05472	1.3
93.07042	8.4
95.05013	1.5
95.08604	16.1
97.06532	2.0
97.10170	9.1
98.37009	1.0
98.98471	27.3
105.07043	1.0
107.08575	5.9
109.10162	6.7
109.73782	1.0
111.08108	1.4
111.11723	2.4
119.08644	1.4
120.08916	0.9
121.10146	8.1
123.11688	1.7
125.06016	2.0
135.11659	4.7
137.06021	1.4
139.07512	2.3
149.13226	1.3
151.07512	1.1
153.05519	5.0
155.01042	13.3
161.06001	1.1
167.07063	4.2
173.02144	2.5
193.08586	1.6
233.11601	1.1
247.05815	2.0
256.26248	1.7
265.25342	3.4
283.26291	1.8
339.28934	100.0
340.29269	2.9
419.25095	1.1
449.33282	1.2
475.28223	7.7
493.32663	1.2
511.34705	10.5
512.50330	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	511.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	23.5
57.07078	7.0
65.03941	5.8
67.05512	51.2
69.07062	19.2
69.20766	26.4
74.91210	4.6
79.05485	18.1
81.07057	61.8
83.08607	10.2
84.20164	4.5
85.02910	4.5
87.04468	4.6
89.06019	16.8
91.05473	12.6
92.80782	4.1
93.07056	14.1
95.04976	8.2
95.08614	41.9
97.10172	6.0
105.07052	6.8
107.08597	5.9
109.10154	19.7
111.04421	4.9
115.20770	4.1
119.08619	5.2
121.06483	6.6
121.10136	7.2
122.65251	4.6
123.04442	7.7
123.11708	49.2
125.05978	31.2
133.08603	10.0
135.11668	7.1
137.05991	20.6
139.03831	9.5
139.07578	9.8
141.07019	4.5
151.07529	8.9
153.05481	54.0
161.05998	5.4
163.07600	5.1
167.07043	23.6
167.75317	4.6
170.79385	4.5
175.07556	10.8
177.05533	8.8
177.09102	12.7
179.07129	6.0
184.75905	4.2
185.05981	10.3
187.03943	5.4
189.05492	6.8
189.09157	10.0
191.10634	5.8
193.08624	6.5
198.06712	5.6
201.05421	6.4
213.05478	13.9
213.09167	9.5
214.06244	11.1
215.07011	5.0
215.10768	4.4
216.04112	4.8
217.08617	5.7
225.05606	5.4
226.06377	7.4
227.06934	15.8
228.04166	6.8
228.07722	14.9
229.04860	13.4
229.08589	7.6
230.05710	10.3
237.09109	5.7
239.06973	7.1
241.04893	6.6
241.08588	25.3
242.05768	9.3
243.06531	19.7
244.03619	5.7
244.07376	7.9
245.04460	8.6
245.08057	16.1
246.14642	5.0
251.06995	9.7
253.08702	7.6
255.06566	28.9
255.10178	7.3
256.07333	12.5
257.04300	6.1
257.08127	16.8
258.05267	17.0
258.08841	4.8
259.06030	56.9
260.06726	16.1
267.06375	5.6
269.08014	20.9
271.06189	6.5
271.09631	9.9
272.06784	13.3
273.07617	85.5
274.08365	74.3
275.05502	7.5
275.08893	5.3
276.05905	5.2
283.06537	4.9
283.09662	12.5
285.07504	9.8
287.09158	75.2
289.07047	19.7
289.10583	4.8
290.07834	6.2
291.08392	8.6
297.11127	9.2
299.09058	17.0
301.10654	12.8
303.08557	8.8
305.09964	11.3
329.13788	11.4
339.28815	10.4
461.26648	7.2
462.27728	12.3
465.29929	9.1
468.30554	4.5
475.28510	13.1
478.27005	13.5
479.27896	9.9
480.28726	48.1
483.30893	10.2
493.29623	100.0
494.29233	5.6
511.24167	89.0
511.30307	68.5
512.50061	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	511.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01854	1.2
55.05495	1.2
60.41201	1.0
67.05497	4.9
69.22603	6.1
74.41103	1.0
75.88168	1.0
79.05497	3.9
81.07058	6.2
88.06739	1.0
91.05482	8.9
93.07037	3.6
95.04980	3.1
95.08607	2.9
96.05750	1.4
105.07028	2.7
106.14989	1.0
107.04960	3.0
107.08604	2.0
109.06490	2.3
109.10145	1.8
111.08033	2.3
117.07014	2.1
119.08565	1.3
121.06523	5.1
123.04431	1.7
123.08053	2.5
124.05227	7.0
125.05997	2.8
131.08638	1.6
135.08060	4.2
136.05220	1.5
137.05991	7.9
139.07542	57.4
140.04733	1.1
145.06503	1.9
146.07303	1.3
147.08061	3.2
151.07542	63.1
153.05472	5.4
153.09106	3.4
159.08049	2.3
161.05965	1.2
161.09657	1.7
163.07565	2.6
163.11145	1.5
164.81931	1.0
165.09113	17.5
167.07040	100.0
168.07468	1.4
175.07556	1.5
176.08353	2.6
177.09114	18.0
179.07022	1.2
181.08574	2.3
189.09105	2.4
191.10669	23.3
193.08585	6.8
203.10597	1.2
205.12152	5.7
207.10146	9.3
211.16025	1.0
217.12317	1.4
357.28000	2.2
393.74374	1.1
433.87729	1.1
467.02679	1.2
479.31299	3.8
493.32947	1.3
511.34082	10.4
512.34692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01875	0.9
55.05497	1.2
57.03431	0.6
65.03934	4.1
67.05512	0.3
68.02660	0.4
68.99773	0.5
69.03445	1.8
69.07047	0.5
69.49342	0.8
69.49732	0.7
71.04974	1.1
73.02902	0.4
79.05471	0.8
81.03407	2.4
81.07031	1.0
83.04958	1.6
85.02413	0.5
85.02900	8.1
86.03239	0.6
87.00811	0.8
91.05466	0.6
93.03401	1.1
93.07011	0.9
94.67275	0.4
95.04996	0.4
97.02882	1.5
97.06519	0.6
98.22727	0.7
99.04430	0.7
103.03949	0.6
105.01867	0.5
105.07027	0.5
107.04946	0.5
107.08596	0.8
109.02872	1.8
109.06491	0.5
109.10183	0.5
111.04446	2.5
115.05444	0.3
117.06983	0.6
119.08540	0.9
119.16039	0.4
120.08868	0.6
121.02829	0.4
123.04389	0.5
123.11684	1.8
124.01544	1.0
125.02359	0.5
126.03039	0.4
127.03901	1.7
129.05470	0.4
131.04935	0.9
131.08525	0.5
133.02853	1.7
135.08040	11.2
136.08383	5.8
137.09528	0.4
138.03110	0.3
139.03870	0.9
145.04942	1.0
147.04369	0.5
147.07982	0.6
149.02342	0.7
150.03157	1.0
151.03903	0.6
151.07494	0.5
151.11169	0.4
152.01036	5.3
157.04944	6.8
159.04407	1.1
159.08000	0.5
159.11650	1.0
160.12015	0.8
165.05450	0.5
165.09196	0.4
166.02655	0.5
167.03380	100.0
168.03734	1.5
169.12250	0.5
172.08807	0.5
173.09468	1.5
174.10002	0.8
175.03934	0.5
176.04610	0.5
177.01822	2.7
177.05495	0.8
179.03375	0.8
181.04953	8.0
187.03851	1.3
187.11177	2.7
188.11497	3.7
191.03313	1.4
193.05006	0.8
194.02058	1.2
195.02893	1.0
197.04488	1.0
199.03922	0.7
199.11183	0.6
200.11501	0.4
203.03229	0.4
203.10617	1.3
204.04150	1.2
204.10959	1.0
205.04892	1.8
209.04454	10.8
215.03419	0.6
215.10686	2.1
216.11066	2.2
217.12270	0.5
219.03029	0.5
219.06531	1.2
221.04501	1.9
227.05531	3.4
227.10780	0.5
228.10939	0.7
229.04805	0.6
232.03732	0.5
233.04387	2.3
233.11731	4.1
234.12073	4.9
237.03821	0.4
245.11713	3.3
246.12033	5.1
247.06018	1.9
251.05458	3.1
257.04410	0.7
260.03107	1.4
263.05536	2.2
263.12729	3.0
264.13123	4.1
269.06552	2.1
275.05481	7.8
293.06540	6.2
301.16461	0.5
311.07571	1.2
459.09366	0.4
477.10449	0.7
494.19254	0.4
495.11517	2.4
513.18225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01874	1.2
55.05502	1.8
57.03426	2.0
59.04985	0.5
60.04512	0.8
61.02920	1.6
65.03926	1.1
65.93591	0.5
67.05510	0.9
67.56628	0.5
69.03425	4.1
69.07072	1.6
69.45717	1.4
71.01342	0.8
71.04992	7.6
73.02917	1.4
73.06541	1.2
79.05486	1.6
81.03413	3.4
81.07054	9.4
85.02901	28.8
85.91698	0.5
91.03947	1.2
91.05448	1.1
93.03375	0.9
93.07049	6.2
93.11039	0.6
95.04955	1.2
95.08594	1.5
97.02869	4.7
97.06562	0.8
99.04461	1.1
103.03930	5.8
105.06987	0.7
107.01266	0.6
107.04958	0.8
107.08604	5.6
109.02882	3.6
109.10141	1.5
111.04432	2.4
127.03906	7.0
129.07042	0.8
135.11687	12.4
137.02341	100.0
137.03423	5.6
137.05954	1.7
138.02687	1.0
139.03955	0.6
145.04951	9.4
151.07523	0.6
151.11096	0.8
152.01051	1.2
153.12738	66.9
155.03391	4.0
155.13918	0.6
157.04961	0.9
159.04420	1.3
159.08081	0.8
161.05988	10.0
163.06026	5.0
163.07417	0.9
167.03389	23.7
171.08070	1.2
171.13779	0.7
174.06862	0.6
175.03941	1.5
175.07552	2.6
176.04700	0.7
177.05539	1.0
179.03395	1.0
179.07021	1.3
180.00580	0.6
181.04996	2.5
189.09216	0.7
191.03378	2.2
191.07037	0.6
195.02933	2.0
197.04440	12.4
199.07529	4.2
203.06984	7.7
205.04971	1.9
209.04533	1.5
213.09154	1.7
215.06972	0.6
217.08629	2.1
219.06641	1.2
219.10149	2.6
220.10507	1.9
221.04660	0.6
221.08060	7.7
221.10420	0.8
223.06023	0.8
227.07045	3.1
227.12758	2.3
233.04375	3.1
235.05968	0.7
239.05457	8.7
241.08675	1.2
245.04462	1.1
245.08083	2.7
247.06093	2.4
251.05515	3.4
259.09659	1.9
263.05505	9.0
263.09119	2.4
269.08118	1.6
270.50229	0.6
275.05466	2.8
278.91330	0.6
281.06543	1.1
287.09122	24.7
288.09390	1.3
293.06540	2.4
299.07672	4.2
301.16409	1.4
305.10080	4.6
311.07449	1.2
325.11148	1.0
495.11218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40424	1.3
53.17894	1.1
57.29210	1.3
61.02926	13.7
65.03948	1.7
67.05493	1.4
68.99787	3.5
69.03434	4.5
70.07160	2.5
70.07510	1.8
73.02924	4.4
74.69260	1.1
81.03428	1.8
84.65634	1.1
85.02904	14.9
89.04709	1.3
91.03956	7.2
91.05482	2.4
93.07047	3.0
95.04948	8.1
95.08612	1.2
97.02892	7.6
97.06516	1.6
107.04960	2.7
107.08607	2.5
109.10152	1.2
111.00811	3.4
111.04472	2.5
119.04895	1.2
122.76598	1.3
123.04417	14.6
127.03934	3.3
127.92686	1.1
133.06477	1.7
135.11691	2.0
137.05962	1.3
139.03897	77.5
140.04681	1.7
140.07089	1.7
145.04935	2.9
147.04427	1.9
149.02354	7.4
151.03906	21.1
152.07101	1.9
153.01759	1.4
155.07056	1.6
161.06015	3.0
163.03903	5.2
163.06108	1.7
167.03334	1.5
167.07045	14.7
167.08327	1.7
170.24667	1.2
179.03455	2.5
179.07039	11.5
181.05038	4.5
182.15372	1.4
183.06534	5.2
189.05521	2.7
191.07024	2.1
195.06470	1.3
207.06503	15.4
213.05478	4.8
217.04980	1.5
225.10234	1.7
226.11053	2.3
227.07002	1.4
228.09351	1.3
237.10129	1.5
239.11778	2.4
241.04967	3.7
245.08061	6.2
255.06676	1.5
258.05237	1.8
269.04581	2.0
273.07599	5.1
280.60657	1.4
286.04758	1.6
287.09326	1.8
287.13901	4.4
301.07144	16.2
305.10168	15.3
315.08633	6.6
317.06592	3.3
317.10046	2.0
318.07343	4.0
327.13257	5.5
331.08142	2.6
333.09680	100.0
334.09949	2.4
385.95367	1.4
450.19583	1.3
468.21167	2.3
495.14859	2.7
512.16138	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	512.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97546	1.0
51.21224	1.1
55.22125	1.2
57.03425	1.1
61.02922	11.9
61.14526	1.1
62.60199	1.2
65.03937	1.5
67.05523	1.7
68.99799	3.8
69.03426	2.8
69.40264	4.7
71.04990	1.2
73.02920	3.5
79.05510	1.6
81.03410	1.2
83.04983	1.7
85.02895	12.3
85.30790	1.1
91.03963	5.8
91.05490	1.6
93.07043	1.5
95.04959	5.7
97.02876	6.8
98.23444	2.3
105.07034	1.1
107.04949	2.6
107.08592	4.2
111.00821	3.2
123.04422	12.0
127.03929	3.7
127.13035	1.2
135.04489	1.1
135.11743	2.2
139.03893	70.0
140.04619	1.2
140.07031	1.9
145.04956	2.6
146.06070	1.5
147.04488	1.8
148.07588	2.1
149.02354	5.6
150.03197	1.4
151.03896	17.5
153.01843	2.9
153.05487	1.2
155.07016	1.7
157.06476	1.3
159.82124	1.1
161.05992	3.1
163.03940	6.2
167.07037	12.8
179.03456	1.5
179.07005	11.6
181.04895	5.5
183.06555	4.8
189.05463	2.2
191.07054	2.3
195.06458	2.0
205.04881	1.2
207.06520	16.1
207.26901	1.3
212.04695	1.3
213.05492	4.5
215.07167	1.2
227.07149	1.3
239.11836	2.7
241.04985	3.2
245.08011	5.2
267.11285	1.6
273.07605	7.3
287.13962	4.7
295.64371	1.4
297.16345	1.5
298.93814	1.2
299.14114	1.4
300.06146	1.2
301.07010	16.8
305.10196	14.8
315.08688	6.5
317.06494	2.9
317.10199	2.4
318.07272	4.6
327.13394	5.8
333.09665	100.0
334.10110	1.8
412.74121	1.1
468.21252	3.0
495.14844	1.8
512.15295	2.1
513.17664	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
67.05493	1.1
69.07061	2.4
69.33292	0.8
71.04991	1.8
72.08157	1.4
79.05490	0.9
80.05807	1.0
81.03374	1.2
81.07025	1.3
85.02901	1.7
91.05477	1.2
93.07054	1.5
94.06565	9.3
95.04965	1.0
95.08571	1.1
97.02926	1.3
106.06598	0.8
107.08591	1.1
109.10149	1.4
110.06072	4.6
112.07620	1.6
120.04472	3.3
120.08064	1.6
122.06025	10.6
134.06017	2.1
135.11702	1.3
136.07556	1.2
137.09637	0.9
138.05441	1.7
138.82237	1.1
140.07048	21.7
146.05992	14.5
148.07578	22.3
152.07066	7.6
153.01862	1.4
154.08693	1.4
163.05872	1.0
164.07002	1.4
172.03888	0.9
174.05467	2.0
180.06479	1.6
182.08182	2.6
184.09889	1.0
190.04950	2.2
192.06564	1.9
194.09756	1.2
197.10716	3.0
198.11549	1.4
211.08664	3.0
211.12369	4.9
213.13831	1.3
223.12341	1.4
224.09412	2.3
225.10196	13.0
226.11002	16.3
227.11786	2.5
229.14365	1.4
234.07567	1.7
235.12302	1.8
235.14398	1.3
236.09193	1.5
237.10136	6.9
238.11005	3.1
239.11781	37.4
240.12471	4.6
241.13441	2.3
251.11830	5.8
253.09651	1.8
253.13341	2.8
254.10526	2.9
261.12405	6.9
263.11679	2.1
264.09064	0.9
265.09650	9.2
266.10538	2.5
267.11301	25.6
279.10883	5.2
279.13757	2.1
280.12003	1.9
281.12927	8.2
285.12296	1.8
286.13028	1.2
287.13892	51.2
288.14066	1.3
291.11212	2.5
293.09109	6.2
295.10773	6.6
297.12222	2.5
298.13193	7.1
299.13885	27.0
300.14566	1.7
301.16104	1.4
307.10922	2.3
309.12360	9.2
311.13846	1.7
312.11011	1.5
313.11938	5.8
325.11945	8.7
327.13376	100.0
328.13818	2.9
329.42929	1.0
335.10385	6.0
335.13678	1.3
353.11325	33.0
354.12030	1.9
371.12149	1.4
440.21674	2.9
441.31735	0.9
450.20050	3.4
468.21268	38.9
469.21423	1.8
494.19168	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	512.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01873	0.8
55.05524	1.2
56.16657	0.5
57.03430	1.2
63.91419	0.5
67.05507	1.8
69.03436	1.8
69.77020	1.8
70.06583	0.7
77.03936	1.0
79.05493	12.1
81.07046	1.2
85.02901	2.2
85.53713	0.5
86.36213	0.6
90.54794	0.5
91.05483	8.7
93.07044	42.2
94.07370	0.8
95.04974	3.4
95.08618	1.1
103.03951	0.6
103.05435	0.8
105.04529	1.7
105.07035	7.6
107.04930	0.8
107.08601	6.4
109.06532	0.6
119.08584	2.5
121.02854	1.6
121.10143	71.1
122.10485	1.1
123.08060	1.0
131.08582	2.8
133.02850	1.8
133.07632	1.0
138.03122	0.6
139.03865	1.2
147.04338	0.6
149.02312	2.6
149.09610	22.1
150.03125	5.6
153.05414	1.2
163.03932	0.7
165.05473	1.3
166.02586	1.6
167.10616	1.2
175.03859	0.8
177.01831	9.2
181.04951	6.8
187.03880	0.7
191.03413	3.6
193.04927	1.1
194.02107	10.8
195.02823	1.1
197.04460	1.3
205.04980	2.1
207.03015	0.6
209.04448	100.0
210.04797	2.3
219.06505	1.1
221.04428	1.4
233.04408	2.7
247.05997	2.2
251.05498	8.0
251.12720	1.4
257.04355	0.8
263.05502	1.4
275.05515	2.7
281.11688	0.5
292.08163	0.5
293.06586	3.0
311.07547	1.5
329.08585	2.4
416.64175	0.5
477.17514	0.9
512.29272	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	512.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
53.57581	0.8
55.01875	1.6
55.05516	1.3
57.03436	4.5
57.07069	1.0
59.04988	1.4
61.02925	6.1
65.99568	0.8
67.05496	5.1
69.03425	13.2
69.07076	3.5
70.29629	1.6
71.05001	1.8
73.02923	2.0
79.05497	4.0
81.03432	4.2
81.07054	4.1
83.08640	1.0
85.02902	62.5
87.04473	1.3
91.03950	3.9
91.05460	5.6
93.07041	54.0
95.04958	2.0
95.08606	12.4
97.02895	16.8
97.06541	3.8
99.04457	1.8
105.04498	0.8
105.07027	2.2
107.08042	0.6
107.08592	25.1
109.02908	6.1
109.10155	66.1
114.59442	0.9
115.03903	1.3
119.08590	2.2
125.13274	1.7
127.03919	16.1
135.11691	100.0
139.03934	1.5
145.04939	28.0
153.01872	1.0
153.12741	64.1
163.06039	12.1
191.07047	1.4
208.09735	1.5
229.15819	0.8
250.18678	0.7
279.15875	1.6
297.16965	25.0
315.18011	2.7
325.11371	3.5
358.12726	0.9
504.97150	0.9
512.15179	1.1
512.60168	0.9
516.30542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05240	0.8
52.20941	0.7
53.03947	1.9
55.01868	2.3
57.03428	3.4
59.04997	2.5
61.02925	7.1
65.03944	0.9
67.05508	4.0
69.03428	13.0
69.07056	1.1
69.73556	2.6
71.04982	1.9
73.02914	2.2
77.03952	1.4
79.05492	3.5
81.03424	5.3
81.07047	2.6
84.20156	0.7
85.02905	100.0
87.04472	2.6
87.09435	0.8
91.03941	4.7
91.05480	11.4
93.07045	55.7
95.04994	2.6
95.08608	40.0
97.02892	23.4
97.06541	1.1
99.04472	3.9
103.03953	1.2
105.04548	1.3
105.07040	4.6
107.08592	63.2
109.02885	8.7
109.06516	0.9
109.10144	3.0
115.03970	1.1
119.06063	1.2
119.08564	1.5
127.03916	28.3
127.73486	0.9
135.11693	85.6
136.12030	1.8
137.02298	1.4
145.04953	62.2
153.12730	13.5
163.06018	43.6
179.00998	0.8
181.05019	1.5
181.06967	0.9
193.08705	1.0
193.10126	4.1
218.52695	0.9
226.51257	0.8
271.08017	1.6
289.09113	2.8
314.12158	0.8
325.11279	16.9
355.71072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05511	2.5
57.03441	12.0
59.04983	1.2
60.04523	1.0
67.05506	3.5
69.03439	2.1
69.07065	9.8
69.60489	1.4
69.60849	3.1
71.01353	0.9
71.04991	67.0
73.02924	2.4
75.04480	7.1
79.05507	1.2
81.03413	1.2
81.07055	9.2
83.04988	12.3
85.02903	100.0
86.03271	1.0
87.04471	2.4
90.48032	0.8
93.07071	1.3
95.04950	4.4
95.08607	2.0
97.02871	5.4
98.23420	1.2
99.04456	2.4
107.08628	5.2
109.02888	1.2
109.06509	1.5
109.10155	7.9
111.04439	11.4
121.06517	0.9
121.10128	1.3
121.54897	0.9
123.11705	48.9
127.03916	4.7
129.05476	46.1
139.03886	0.9
145.04944	2.8
147.06526	26.6
151.11176	21.2
163.06082	1.5
164.09248	1.5
165.07634	1.6
169.12245	8.4
181.05000	1.4
203.50456	0.9
238.11958	0.9
255.08707	3.4
273.09659	2.5
279.15958	3.2
297.16968	31.1
308.71298	0.9
309.11826	2.9
313.16354	1.8
315.18042	17.5
323.14621	1.1
537.99866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.4
57.03444	16.6
58.26474	2.7
60.04522	5.2
61.02929	9.6
69.03429	29.8
69.07070	8.0
70.52709	5.5
71.04995	6.5
73.02907	17.3
79.05503	7.1
81.03435	9.0
81.07053	20.8
85.02905	100.0
87.04489	8.7
91.03970	5.1
91.05479	7.6
93.07047	19.1
95.04979	10.0
95.08595	16.8
97.02886	31.0
98.01627	3.3
98.22854	3.6
105.07047	13.5
107.08601	56.1
109.02866	9.0
109.06519	9.7
109.10166	3.2
115.03950	9.9
119.08630	5.2
121.10189	4.3
123.11715	55.3
123.91700	2.9
127.03931	31.1
133.05034	3.6
135.11696	36.8
137.02365	7.1
137.06003	11.7
141.12752	36.9
145.04964	59.0
146.05247	3.4
147.04424	3.9
147.11702	13.9
147.12910	2.7
151.03836	5.1
151.07524	4.8
153.12747	36.0
161.05946	6.9
162.06766	8.1
163.06053	28.9
163.07419	6.1
165.12805	22.0
167.03412	22.6
171.13786	9.9
181.04987	4.6
183.13779	43.9
191.03426	4.4
201.14854	49.8
219.06538	3.4
261.37973	3.2
263.05542	4.3
325.11172	7.3
343.11734	3.3
403.83301	3.5
513.18964	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	512.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01846	0.7
55.05500	1.0
57.03425	2.4
59.04979	1.3
61.02935	3.1
68.23370	0.5
69.03428	7.3
69.07057	1.5
69.31126	1.9
69.31533	1.0
71.04627	1.0
71.04987	10.2
73.02911	1.2
73.06564	3.0
79.05499	3.5
81.03424	2.8
81.07057	14.3
85.02903	46.5
87.04483	0.6
91.03942	1.7
93.07040	9.9
95.08601	2.1
95.54333	0.5
97.02893	11.6
97.06517	1.7
99.04453	1.7
103.03867	0.7
107.08593	7.1
109.02892	4.1
109.10175	1.5
115.03901	0.6
126.86583	0.5
127.03915	12.7
135.11688	16.6
137.02344	7.0
145.04955	25.0
151.03940	0.6
153.12740	100.0
154.13046	1.4
161.06007	0.9
163.06017	14.0
167.03366	4.8
171.13809	0.7
197.04488	1.3
205.04883	0.6
235.05946	0.6
263.05627	1.6
271.82028	0.5
275.05701	0.6
287.09116	0.9
289.09030	0.6
298.04211	0.5
325.11249	3.3
372.39606	0.6
531.40228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
54.42680	1.4
55.01873	3.1
55.05508	2.2
57.03430	6.8
61.02924	10.3
61.13966	2.1
65.03931	2.3
67.05485	1.8
69.03423	17.1
69.07080	2.8
69.17956	7.5
69.18359	2.8
71.04990	2.7
72.08156	1.8
73.02922	4.4
75.17352	1.5
79.05477	3.6
81.03419	6.1
81.07056	4.4
83.04970	2.1
85.02905	100.0
86.03217	1.7
87.04468	2.6
90.50050	1.8
91.03955	6.3
91.05463	3.6
93.07042	14.5
95.08602	9.8
95.77734	1.7
97.02896	26.4
98.97591	1.6
99.04447	4.4
102.62154	1.7
103.03880	2.2
105.07022	2.9
106.48714	1.6
107.08595	27.7
109.02888	8.2
109.10152	2.1
111.04408	1.5
121.10174	3.9
123.11706	2.4
127.03911	27.3
133.02875	1.6
135.11694	33.2
137.06003	4.4
140.59590	1.5
145.03099	2.0
145.04959	56.8
145.10120	1.8
151.03917	7.8
152.01045	4.3
153.12744	31.8
157.04939	5.2
161.05971	2.5
163.06023	24.7
165.12833	1.8
167.03392	75.8
171.13788	5.1
177.01842	1.9
177.05423	5.2
181.04994	6.7
181.12245	1.7
199.13335	1.5
209.04422	7.7
221.04401	1.6
227.05611	2.9
269.06497	1.9
275.05527	7.4
293.06613	3.6
311.07761	2.0
325.11343	7.5
333.13901	2.0
492.32114	1.7
512.27655	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	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78602	1.1
53.03944	3.8
54.02777	1.2
55.01854	3.3
55.05516	5.6
57.03429	4.3
57.07081	1.5
59.05005	1.3
61.02927	5.5
65.03933	4.6
67.05502	4.0
69.03430	17.0
69.07064	11.3
70.67421	1.9
71.04994	10.7
73.02908	3.2
73.06563	1.9
79.05489	7.4
81.03408	11.2
81.07050	14.6
83.08628	3.1
85.02906	90.3
87.04472	1.6
91.03945	2.9
91.05484	5.3
93.03392	1.8
93.07047	27.1
94.06562	1.7
95.04960	4.1
95.08606	9.0
97.02894	23.9
97.06525	3.4
99.04450	5.2
103.03933	1.8
105.07047	5.0
106.89162	1.2
107.08603	27.3
109.02868	11.1
109.06477	2.0
109.10145	5.1
109.10825	1.2
110.03621	2.1
111.04452	1.6
119.08600	5.3
121.06520	1.5
121.10165	2.5
122.06045	2.5
123.04424	2.1
125.05984	1.4
125.13258	4.3
127.03916	23.2
131.08662	1.6
133.10060	1.2
135.11694	33.5
137.02348	30.8
137.03349	1.6
137.05988	2.6
137.13258	3.5
139.03906	1.4
140.04680	5.3
140.07066	3.3
142.02646	1.1
145.04955	40.5
145.10109	2.0
146.06007	1.4
147.08044	2.0
148.07588	4.6
151.03957	1.7
151.07526	1.4
153.01825	8.4
153.05461	4.5
153.12741	87.7
154.13132	1.6
155.03409	5.7
155.07008	2.9
161.06010	2.2
163.03941	1.2
163.06027	14.0
165.12733	4.3
167.03395	2.3
167.06993	1.3
171.06534	5.0
177.05617	1.5
177.12825	1.4
179.07014	1.8
180.77121	1.1
181.04955	100.0
187.03906	1.5
195.13850	1.1
199.06004	4.0
203.06969	1.6
207.10175	1.6
209.04431	2.7
211.12207	1.2
225.10233	2.6
226.11029	2.4
237.10217	1.9
239.11899	6.1
243.13698	1.7
255.11485	1.3
261.12347	1.4
261.14862	2.4
265.09674	1.4
267.11252	3.8
279.15933	2.9
281.06503	4.7
287.09058	1.3
287.13870	9.5
297.16971	4.3
299.07651	6.8
299.13788	3.5
309.12299	1.8
315.17978	11.1
325.08609	2.2
325.11517	4.5
327.13370	16.0
333.19214	2.4
335.10114	1.6
343.10175	2.9
353.11243	4.0
468.21103	7.0
494.19095	2.6
512.16046	2.1
513.17554	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	513.1607
Annotation	Kutkoside
Peak:m/z	Relative Intensity
55.01865	0.9
58.35599	0.3
61.02925	2.5
65.03936	1.0
67.05499	0.7
68.99789	1.3
69.03442	0.8
70.51508	0.4
73.02914	0.8
79.05480	0.3
81.03409	0.6
83.04992	1.0
85.02919	2.5
91.03936	1.0
91.05476	0.4
93.03403	0.7
93.90609	0.3
95.04456	0.4
95.04980	2.8
97.02869	1.7
98.97606	0.3
105.04498	0.3
107.04951	0.9
109.02885	0.5
109.10125	0.3
111.00842	0.3
111.04442	3.3
121.02854	0.4
121.06485	0.3
123.04432	7.6
127.03960	0.4
131.28723	0.4
135.04442	1.5
139.03902	100.0
140.04538	1.4
141.98149	0.3
147.04382	0.7
149.02353	0.5
149.05998	1.0
151.03909	12.7
153.05428	1.0
155.07034	3.3
159.04391	0.3
161.05890	0.4
163.03911	6.4
167.07063	1.2
169.05110	0.4
175.03918	1.3
177.05476	3.4
179.03500	0.5
179.07048	2.6
181.04955	11.1
181.40939	0.3
183.06543	5.2
189.05441	0.7
191.03441	0.4
191.07138	0.4
193.04959	1.4
195.06647	0.4
201.05550	0.7
205.04970	11.7
205.06839	0.7
207.06529	1.7
217.04979	1.2
225.07587	1.5
229.04904	0.8
235.06104	2.0
247.06007	2.2
265.07108	2.2
273.07596	0.8
283.08130	6.4
301.09171	1.4
305.10129	3.4
315.08810	0.5
316.63382	0.3
325.02518	0.4
333.09680	12.2
345.09570	0.3
351.10779	6.5
357.09741	0.4
357.70453	0.3
375.10718	0.9
378.61057	0.3
395.63397	0.3
399.10794	0.9
405.72348	0.3
411.10654	0.5
417.11307	0.4
493.79715	0.4
495.14996	0.8
513.19629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1607
Annotation	Kutkoside
Peak:m/z	Relative Intensity
51.17804	0.5
52.10545	0.5
55.01873	0.9
57.83238	0.5
61.02925	3.2
65.03909	1.3
68.99794	0.9
69.03426	0.7
73.02928	0.6
79.05480	0.9
81.03442	0.7
81.07044	0.7
81.26154	0.5
83.04975	0.7
85.02905	4.8
91.03939	1.1
93.03390	1.0
93.07040	1.9
95.04969	3.1
97.02880	2.6
97.06499	0.5
98.22701	1.5
107.04953	1.3
109.10136	0.7
109.21046	0.5
111.04411	2.5
123.04414	7.4
127.03906	0.8
135.04404	1.3
135.11707	1.1
136.12173	0.5
137.05957	0.6
139.03897	100.0
140.04416	1.0
145.04979	1.0
147.04376	0.7
149.05933	1.4
151.03903	12.3
153.05379	0.7
153.12721	2.4
155.06979	3.3
159.04475	0.6
163.03909	6.2
165.05409	0.5
167.07022	1.7
175.03867	1.6
177.05486	2.8
179.03505	0.8
179.07018	3.1
181.04955	10.4
183.06544	5.7
189.05450	1.0
193.05003	1.4
205.04962	11.4
207.06564	1.6
209.58397	0.6
211.65266	0.7
217.04939	1.4
225.07596	1.4
229.05078	1.2
235.06058	1.7
247.06120	1.8
254.12086	0.5
265.07169	2.1
283.08127	7.3
301.09286	1.6
305.10117	3.4
315.08664	1.0
333.09647	13.0
345.09332	0.7
351.10745	7.6
357.09769	1.2
375.10547	0.9
399.10669	1.5
441.11319	0.5
513.14362	0.8
523.61359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54695	0.1
65.03915	0.7
67.05492	0.1
68.11825	0.1
69.03426	0.8
69.67021	0.3
76.69950	0.1
79.05477	0.2
81.03419	0.2
85.02903	0.4
86.21372	0.1
91.05478	7.1
92.05784	0.1
93.03384	0.1
95.04970	0.2
97.02889	0.2
98.97573	0.2
107.04967	0.2
119.04937	20.0
120.05275	0.3
122.48579	0.1
123.04411	0.1
127.03899	0.5
127.97299	0.1
130.06483	0.1
133.68483	0.1
135.04440	0.2
137.06026	0.1
139.03940	0.7
140.04662	0.2
146.05983	0.1
147.04401	100.0
148.04729	1.6
151.03920	0.1
153.05479	0.2
155.06972	0.2
159.09183	1.7
163.03902	0.4
165.01810	0.1
165.05414	0.3
167.03273	0.1
167.07008	0.2
169.04915	0.2
181.04916	0.5
188.07008	0.2
191.01750	0.1
191.03380	1.9
193.67804	0.1
195.06598	0.1
203.03380	0.4
205.09746	0.1
207.06511	0.2
209.04428	0.6
233.04333	0.1
291.08582	0.4
291.12222	0.1
305.12637	0.1
309.09674	0.9
333.12299	0.2
342.07486	0.1
345.09631	0.4
351.09409	0.2
351.13385	1.9
357.09854	0.6
359.07553	0.3
453.17685	0.3
473.15372	0.1
513.18774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1869
Annotation	Pumiloside
Peak:m/z	Relative Intensity
55.54695	0.1
65.03915	0.7
67.05492	0.1
68.11825	0.1
69.03426	0.8
69.67021	0.3
76.69950	0.1
79.05477	0.2
81.03419	0.2
85.02903	0.4
86.21372	0.1
91.05478	7.1
92.05784	0.1
93.03384	0.1
95.04970	0.2
97.02889	0.2
98.97573	0.2
107.04967	0.2
119.04937	20.0
120.05275	0.3
122.48579	0.1
123.04411	0.1
127.03899	0.5
127.97299	0.1
130.06483	0.1
133.68483	0.1
135.04440	0.2
137.06026	0.1
139.03940	0.7
140.04662	0.2
146.05983	0.1
147.04401	100.0
148.04729	1.6
151.03920	0.1
153.05479	0.2
155.06972	0.2
159.09183	1.7
163.03902	0.4
165.01810	0.1
165.05414	0.3
167.03273	0.1
167.07008	0.2
169.04915	0.2
181.04916	0.5
188.07008	0.2
191.01750	0.1
191.03380	1.9
193.67804	0.1
195.06598	0.1
203.03380	0.4
205.09746	0.1
207.06511	0.2
209.04428	0.6
233.04333	0.1
291.08582	0.4
291.12222	0.1
305.12637	0.1
309.09674	0.9
333.12299	0.2
342.07486	0.1
345.09631	0.4
351.09409	0.2
351.13385	1.9
357.09854	0.6
359.07553	0.3
453.17685	0.3
473.15372	0.1
513.18774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03421	0.7
61.02930	3.5
65.03935	1.2
67.05486	0.9
68.99789	1.3
69.03429	1.7
69.07063	1.1
69.53111	1.9
69.84212	0.4
71.04984	2.2
72.08134	0.5
73.02910	1.4
73.06552	0.5
79.05491	1.1
81.03404	1.2
81.07072	3.1
83.04958	0.6
85.02905	12.1
91.03960	1.4
91.05484	1.1
93.03415	1.1
93.07031	2.4
95.04972	3.5
97.02876	4.1
97.06573	0.5
98.97568	1.2
99.04424	0.7
107.04934	0.9
107.08583	1.8
109.02871	1.2
109.10155	2.2
111.04426	3.4
116.98637	0.8
119.08626	0.6
120.05647	0.5
123.04435	7.0
127.03920	2.7
135.04399	1.7
135.11739	3.7
137.05968	1.9
139.03900	100.0
140.04335	2.2
145.04959	5.0
147.04433	0.6
149.05966	1.4
151.03899	13.0
151.05049	0.9
151.07521	1.8
152.04298	0.5
153.05562	0.7
153.12744	16.4
155.07019	3.3
161.45750	0.6
163.03925	6.4
163.06007	2.0
164.59254	0.5
167.03441	0.7
167.07021	1.5
169.04944	0.7
175.03911	1.5
177.05475	3.4
179.06987	3.3
181.04950	11.6
183.06551	5.6
189.05486	1.1
193.05002	1.4
205.04968	10.7
207.06543	1.7
213.07556	0.7
217.04999	1.1
225.07535	1.4
229.05016	0.8
235.06038	2.0
247.05983	1.8
247.60992	0.5
265.07065	2.2
283.08133	8.4
301.09070	1.1
305.10211	3.0
329.10062	0.6
333.09671	14.9
334.09888	0.6
345.09454	1.1
351.10712	7.1
357.09686	0.7
375.10599	1.1
399.10712	1.9
411.10751	0.7
441.11871	0.6
459.12906	0.6
495.15533	0.6
513.19495	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	513.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.6
62.98249	0.2
67.05498	0.5
69.57575	0.7
71.65034	0.2
79.05486	0.2
81.07061	0.3
88.07626	0.5
91.05518	0.2
95.08595	0.2
102.09184	0.3
107.08748	0.2
109.10146	0.4
153.05521	0.2
185.04210	0.4
192.84775	0.2
216.88251	0.2
229.14276	0.2
256.26294	1.0
257.26849	0.3
274.27475	0.2
283.26291	0.9
284.26575	0.2
339.15372	1.2
394.90405	0.2
421.78485	0.2
475.27411	1.0
512.50586	1.4
513.30328	100.0
514.30688	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	513.3037
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
57.07049	1.1
66.11331	0.6
69.07084	0.6
69.21918	0.6
69.24495	2.7
75.96643	0.6
88.07698	0.6
94.67510	0.6
98.23444	1.2
137.05901	0.8
146.01669	0.6
164.39624	0.6
176.15086	0.7
203.05251	1.2
256.26312	2.5
259.07928	0.7
283.26407	2.1
284.26672	1.1
286.89835	0.6
308.21494	0.6
334.80145	0.6
412.32910	0.9
512.50470	5.3
513.30353	100.0
513.50549	3.0
514.30450	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01383	2.1
55.01867	3.0
55.05289	2.1
55.05517	14.9
55.27315	2.1
57.03442	7.5
57.07095	2.3
61.02930	15.9
67.05506	35.1
69.03426	6.2
69.07070	11.9
69.19397	14.6
71.04985	6.8
73.02911	3.0
77.03909	2.5
79.05495	37.0
81.03422	4.6
81.07059	41.9
83.08624	6.4
85.02917	12.7
85.06548	2.6
91.03976	3.4
91.05494	34.5
93.07046	55.0
95.04983	4.3
95.08620	25.8
97.02905	9.3
97.06524	2.9
99.08105	3.2
101.69798	2.1
104.10014	2.4
105.04521	3.1
105.07035	31.5
105.18279	2.1
107.08611	31.6
109.10178	11.4
117.07048	12.0
119.08579	35.9
121.10144	27.3
123.11713	5.1
127.03905	4.2
129.05446	3.4
129.07040	8.6
131.08572	15.0
133.10127	31.3
135.11693	25.9
142.07822	2.3
143.08566	8.6
145.05049	2.7
145.10120	14.6
147.11688	30.8
149.13293	17.1
156.90181	2.2
157.10149	6.8
159.11717	14.4
161.13275	21.8
163.11226	2.6
163.14803	5.3
171.11722	12.7
173.13292	9.7
175.14822	11.8
177.12801	2.9
177.16391	2.2
179.14415	2.8
183.11708	3.0
185.13310	9.0
187.14828	2.6
189.12720	2.9
199.14882	8.8
213.16408	2.9
231.17380	2.8
231.21158	3.3
241.19522	19.3
259.20578	55.6
277.21646	10.2
333.24304	8.6
349.23834	3.9
351.25299	100.0
387.25302	2.8
429.26535	4.4
441.26331	6.6
477.28488	3.3
495.29379	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	513.3219
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
51.55656	0.8
51.79182	0.7
55.05512	1.9
57.07077	5.4
62.98247	0.6
65.03925	0.9
67.05510	3.9
67.20281	0.7
69.07047	1.9
69.75800	2.7
69.76167	0.7
70.06577	2.9
71.08623	2.8
72.08947	0.9
79.05499	4.2
81.07063	4.4
83.01338	1.9
83.08630	1.4
85.10165	1.5
86.10489	0.8
88.07616	3.2
89.06020	2.7
91.05477	4.6
93.07029	2.0
95.04977	1.6
95.08596	3.1
96.05762	1.6
97.10136	0.8
98.22726	1.0
100.03000	0.7
102.09164	2.4
105.07021	1.7
107.04953	2.0
109.06512	3.0
109.10168	1.1
111.08051	2.0
117.07009	1.6
121.06512	3.9
121.10175	0.8
123.08080	1.3
124.05209	5.6
125.06013	3.7
131.08609	1.0
132.27585	0.7
133.08615	1.3
135.08107	3.9
137.05974	37.4
139.07539	51.8
145.06496	2.2
149.06032	0.8
151.07533	10.1
153.05472	9.8
155.07025	1.5
159.08089	1.4
161.05957	1.7
163.07523	12.7
167.07034	100.0
168.07426	1.2
175.07579	3.7
177.05545	1.7
177.09106	14.9
177.10645	1.2
177.11241	0.6
179.07072	1.0
181.08595	0.9
187.07544	1.2
189.09085	1.7
191.10661	7.2
203.10660	1.5
205.12105	0.8
207.10155	1.3
215.10840	1.2
217.12328	2.1
223.54611	0.7
231.13779	0.9
256.26364	7.2
257.26691	2.3
283.26337	6.0
284.26712	3.4
339.15182	3.6
341.24747	4.0
359.25748	2.2
463.28247	2.6
477.29828	1.9
481.23227	1.2
481.29605	11.5
495.24631	1.0
495.31204	10.4
496.39117	1.4
512.50421	12.1
513.16779	3.1
513.32996	4.3
513.50647	14.2
514.32843	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3555
Annotation	CHEBI:69628
Peak:m/z	Relative Intensity
51.31078	0.3
55.05492	0.7
57.07074	3.6
69.07038	1.1
70.05596	0.8
70.06610	1.6
71.08631	2.1
73.06542	0.4
80.02398	1.6
81.07008	0.6
83.08577	0.6
85.10143	1.3
87.04494	0.3
87.62987	0.3
88.07629	2.6
89.05545	0.4
89.06032	5.2
90.06345	0.7
93.03106	0.6
95.08589	0.8
97.10123	0.6
98.98463	0.4
102.09167	2.2
105.03138	0.4
123.04190	3.5
131.04720	0.4
133.06187	0.4
133.08618	2.2
145.06184	0.7
151.07487	0.4
163.07414	0.6
164.08044	1.9
165.08870	2.5
166.09572	0.7
176.08073	0.5
177.11186	0.6
178.11609	0.4
191.10428	2.2
195.09927	0.8
203.10309	0.6
205.11980	1.1
207.13536	1.0
219.09930	4.2
219.13490	0.8
221.11472	0.4
228.23227	1.0
256.26382	5.0
257.26877	2.0
258.25128	0.5
261.14719	0.7
273.14526	0.4
274.15427	1.7
275.16342	1.8
283.20224	0.4
283.26315	6.5
284.26596	2.5
285.21762	0.7
289.14130	3.6
291.75568	0.4
297.21915	0.8
301.27686	0.4
311.20053	0.7
311.23557	1.6
311.29642	0.6
312.29666	0.4
324.24173	0.4
325.21320	1.3
325.25064	0.9
327.20029	0.5
328.20538	0.6
339.23022	1.0
341.29422	0.6
343.48969	0.3
344.26895	0.5
353.24417	1.4
354.25354	0.9
368.30557	5.9
381.27670	0.5
395.29221	47.5
396.29837	2.6
411.28671	11.1
425.30206	11.1
426.31076	5.9
436.32190	1.8
437.30542	1.8
439.31448	0.7
481.32883	3.3
482.33484	0.4
495.27362	0.6
495.34320	9.3
496.34674	4.4
512.50464	7.3
513.35522	100.0
513.50604	9.7
514.35907	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	513.3554
Annotation	Acetyl-11-keto-B-Boswellic Acid, 3-
Peak:m/z	Relative Intensity
57.07104	0.4
57.09998	0.3
66.65131	0.3
67.05498	1.1
70.80995	0.4
79.05482	0.6
81.07050	0.9
93.07051	0.6
95.08572	0.6
98.23507	0.9
104.99306	0.4
109.10147	0.4
115.79111	0.5
119.00211	0.4
131.08496	0.4
283.26312	0.6
453.13232	2.4
495.35117	0.6
512.50336	0.8
513.35516	100.0
514.35809	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	513.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	0.3
67.05502	0.5
69.20480	0.4
69.20882	1.4
79.05484	0.6
81.07069	0.6
84.08184	0.4
86.08674	0.3
93.07057	0.5
105.07081	0.4
109.10163	0.5
121.10142	0.3
135.08101	0.3
165.97295	0.2
177.09026	0.3
252.40526	0.3
256.26370	0.5
273.18155	0.4
277.82175	0.4
283.26559	0.4
331.22568	0.6
361.57681	0.3
401.80777	0.3
461.55521	0.3
512.50745	0.5
513.22882	2.6
513.35559	100.0
514.35931	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	513.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
57.07045	2.1
67.05489	1.7
69.07053	1.6
69.21414	5.2
71.08651	1.3
77.03893	1.2
79.05476	2.2
81.07053	1.3
82.31015	0.9
83.01302	1.0
85.10130	0.9
88.07621	3.4
89.80513	0.9
91.05456	5.2
93.07038	2.5
95.08583	2.3
98.22816	2.9
98.23503	1.5
102.09171	1.3
107.04961	2.6
109.06535	1.3
111.08077	1.1
117.06933	1.6
121.06527	5.5
123.04408	1.0
123.08057	2.0
124.05204	5.1
125.05987	3.6
134.46939	0.9
135.08034	5.2
137.05971	10.4
138.06737	2.6
139.07536	50.4
145.06483	1.7
151.07535	67.1
152.07947	1.4
153.05447	9.7
153.09085	5.3
159.08041	0.9
161.05981	0.9
163.07506	4.7
165.09099	12.6
165.37404	0.9
166.06186	0.9
167.07028	100.0
169.04913	1.1
170.05365	0.9
175.07504	1.7
177.09091	15.7
181.08546	3.0
183.06436	1.3
184.07318	5.1
185.07634	1.3
191.10660	7.1
197.07983	1.0
199.09669	1.9
211.09691	2.0
212.09973	1.4
218.12724	1.0
241.21275	0.9
256.26425	5.0
283.26151	4.7
284.26654	2.4
347.29309	1.2
359.29282	4.3
432.28247	1.3
436.31058	1.7
464.31119	1.4
481.33167	15.6
495.34787	5.6
496.33578	5.8
512.50403	6.4
513.35889	18.8
513.50519	7.0
514.36438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64532	0.4
54.09185	0.4
55.03662	0.4
55.05514	3.3
57.07057	1.7
59.73001	0.5
63.15392	0.4
65.12741	0.5
67.05493	2.3
68.63074	0.5
69.07068	3.4
70.06583	1.1
71.08601	0.6
73.62595	0.5
79.05495	2.7
81.07063	3.2
83.08605	1.5
88.07634	0.8
91.05473	4.9
93.07041	3.6
95.04963	1.6
95.08597	2.8
102.09151	0.6
103.05421	0.6
105.04541	0.7
107.04958	4.0
107.08565	0.8
108.05741	0.8
109.06493	0.7
117.06989	0.8
121.06503	9.7
121.10119	0.7
123.08028	2.7
124.05212	3.9
135.08060	7.9
136.05193	1.6
137.05971	9.3
138.06720	0.6
139.07541	15.8
140.07837	0.7
145.06496	1.3
147.08083	0.6
149.05902	0.6
149.07043	0.9
149.09645	1.6
151.07538	100.0
152.07878	1.5
153.09108	7.2
159.08022	0.7
161.09608	1.1
163.07571	1.0
165.09116	4.3
167.07063	1.5
167.10645	0.6
173.23260	0.5
175.07555	1.1
177.09100	7.8
181.08575	1.3
189.09082	1.7
191.10654	3.8
205.12160	1.1
207.13071	0.6
217.12257	0.7
256.26285	2.7
257.26727	0.9
273.18988	0.6
274.27081	0.6
283.26266	3.0
284.26550	0.8
300.85275	0.6
361.27194	1.4
495.34613	1.4
512.50427	3.0
513.35748	65.5
513.51031	2.3
514.36505	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	514.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.58680	0.2
55.01879	0.3
56.15851	0.2
57.20660	0.2
65.03935	2.6
67.05498	1.2
69.03428	1.8
71.04998	0.3
79.05470	0.4
81.03413	5.1
81.07043	1.9
82.04189	1.1
85.02894	3.8
90.39545	0.2
93.03394	0.8
94.06564	0.2
95.04959	1.5
95.08606	0.7
97.02897	1.2
97.06536	1.4
98.96513	0.2
98.97584	0.3
99.04430	0.7
107.08557	0.3
108.02072	0.6
109.02885	1.7
109.10112	0.3
110.03658	1.7
111.04445	0.7
121.02877	0.3
122.06028	0.5
123.04446	1.3
124.07607	0.5
125.02357	0.4
125.05997	0.7
127.03896	0.7
136.07605	0.3
137.02321	1.0
137.06003	0.2
137.13223	0.6
138.03098	1.0
138.05492	0.4
139.03865	0.3
140.04681	5.1
140.07065	0.7
142.02641	0.8
142.08627	0.8
145.04980	0.5
146.05988	0.6
151.03906	0.7
153.05457	3.6
155.07001	2.9
155.14267	0.4
163.07588	0.4
166.02742	0.2
166.04927	0.3
168.06421	0.3
171.06528	4.1
174.05540	0.3
181.04948	100.0
182.05330	0.9
199.06007	6.8
207.09944	0.7
209.11545	0.2
217.61226	0.2
313.12067	0.5
325.09149	5.6
331.09988	0.4
339.14185	1.2
343.10208	6.4
344.50482	0.3
482.19089	0.5
514.19031	0.7
515.16760	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	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46635	1.2
53.03952	2.7
55.01875	1.5
55.05509	4.1
57.03431	4.0
65.03944	1.4
66.46749	1.2
67.05505	2.4
69.03426	14.7
69.07073	2.6
71.04996	2.2
75.04488	7.8
75.73480	1.3
76.24352	1.2
79.05490	15.8
81.03416	11.5
81.07060	7.2
83.04958	1.2
85.02907	13.0
87.04482	1.5
87.12717	1.3
91.05476	15.9
93.07045	97.9
95.04964	7.3
95.08615	4.6
97.02895	11.7
99.04424	2.1
103.05457	1.8
105.07033	11.4
107.08588	17.6
109.02885	5.7
109.06553	1.8
111.04431	1.5
111.08103	5.4
113.15063	1.6
117.07001	1.3
119.08597	21.0
121.06510	3.5
121.10146	100.0
123.08139	2.4
127.03935	5.6
129.06982	1.4
131.08582	9.0
133.10129	2.4
134.07600	1.6
135.11655	1.3
139.03955	1.9
139.11183	5.2
145.04973	4.0
145.10139	1.5
147.04434	3.0
147.11737	1.9
149.09627	33.6
151.03897	2.3
151.89748	1.3
155.08524	2.1
167.10681	33.9
173.09653	1.9
195.06349	1.3
203.17897	3.1
275.12753	1.5
283.15723	2.1
293.13809	11.4
295.79163	1.2
311.14862	21.0
403.46915	1.4
413.55185	1.6
455.19467	1.9
463.30914	1.9
472.31723	15.0
483.31058	4.7
483.80969	19.7
484.31161	5.4
486.18433	1.3
491.29047	1.6
514.26703	3.8
515.18988	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	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13728	2.0
53.03941	3.0
55.01887	2.1
55.05504	6.0
67.05507	3.3
69.03443	10.8
69.96182	1.8
70.59999	4.2
75.04474	8.7
75.04865	1.9
77.46302	2.0
79.05499	15.9
80.33274	1.9
81.03404	9.6
81.07054	7.3
83.08578	2.8
85.02913	9.0
91.05482	14.7
91.87043	2.0
93.07046	94.9
95.04977	6.2
95.08594	6.0
97.02884	6.8
99.04473	2.7
101.06011	3.6
105.07028	8.1
107.08584	19.3
109.02890	4.8
109.10158	2.7
111.08092	7.4
111.24207	2.1
119.08586	11.7
121.06491	2.4
121.10146	100.0
127.03942	4.8
131.08566	4.8
133.49632	2.1
139.11212	5.1
145.04935	2.6
145.10132	2.5
149.09621	18.6
163.07597	2.0
167.09338	1.6
167.10669	34.8
181.12219	2.5
188.57971	2.0
189.14883	2.5
191.10704	3.9
219.41135	1.9
257.11755	2.9
293.13776	6.1
311.14963	16.3
345.20584	2.7
514.17401	3.8
514.26807	7.6
515.20697	6.1
515.28033	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	514.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79228	0.6
57.07079	4.9
58.06597	1.7
68.48013	0.8
70.06591	18.6
71.08636	3.3
72.08143	1.0
88.07629	21.0
102.09182	14.5
105.03383	15.8
131.04892	0.9
149.02345	11.7
149.05972	64.4
156.17526	0.9
165.20903	1.0
168.94839	0.8
181.06554	1.2
193.04976	11.9
200.20088	56.2
201.20425	0.8
219.06662	1.1
296.68439	0.8
297.07565	13.5
302.48627	0.7
326.52353	0.9
341.10165	55.5
342.10315	1.2
349.49994	0.8
357.27661	0.8
508.19003	0.8
514.27979	100.0
515.28680	4.4
515.35858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05507	2.3
57.03432	5.0
61.02920	2.4
67.05497	8.0
69.03422	2.1
69.07090	1.8
69.39248	4.3
69.39645	2.7
71.04993	2.4
73.76953	1.3
75.51594	1.4
79.05479	7.1
79.52739	1.4
81.03418	88.1
81.07047	8.6
83.04980	3.0
83.08623	23.4
85.02899	2.0
91.05481	11.9
93.07028	6.6
95.04966	25.9
95.08601	1.9
97.02888	3.4
97.06538	1.7
97.10178	2.1
98.22636	1.7
105.07021	7.7
107.04951	7.4
107.08590	3.5
109.06539	3.0
109.10157	1.4
111.04446	2.5
111.08073	8.6
115.05444	1.3
119.08575	10.3
121.06478	1.5
121.10133	4.4
123.04428	2.4
123.22328	1.3
129.06996	7.4
131.08640	6.7
133.06534	3.1
133.10135	3.9
134.99617	1.6
137.09593	1.6
142.07782	2.2
147.08054	2.9
147.11694	7.5
149.09622	5.7
157.10136	10.6
165.12750	2.0
167.03369	1.7
175.11185	14.1
193.12238	77.9
194.12544	2.4
211.13263	6.0
235.13293	3.0
239.75168	1.2
249.14786	1.5
267.15915	49.5
268.16080	1.3
275.41919	1.4
285.16953	100.0
286.17230	1.9
309.16870	10.8
351.17896	1.6
363.17758	2.8
373.13794	3.6
375.17993	2.9
411.19968	1.7
429.21121	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06981	0.9
53.03942	2.1
55.01836	1.1
55.05512	2.9
57.03440	4.2
61.02929	1.4
67.05501	6.4
69.03410	2.7
69.07058	2.2
69.21507	3.6
69.21916	2.3
69.73373	1.0
79.05486	8.4
81.03413	82.0
81.07057	6.9
83.04990	3.3
83.08612	18.4
85.02930	1.8
91.03960	1.1
91.05476	10.2
93.07044	4.9
95.04960	23.5
95.08558	1.5
97.02917	3.3
97.10197	1.3
98.23417	2.5
103.56943	1.0
105.07028	6.7
107.04980	5.1
107.08587	2.4
109.06540	1.5
111.04449	3.0
111.08072	10.8
112.44778	1.0
119.04929	1.4
119.08568	8.6
121.06503	1.4
121.10133	4.6
123.04390	1.2
123.08063	1.5
125.09594	0.9
129.06979	5.1
131.08563	5.0
133.06453	2.0
133.10141	3.4
137.09616	1.7
142.07776	1.6
147.04427	1.4
147.08031	1.3
147.11653	5.6
149.09636	4.3
157.10117	8.6
163.11176	1.8
165.12802	2.9
175.11182	12.1
180.84244	1.1
193.12231	65.3
194.12346	1.1
211.13374	5.0
220.68652	0.9
235.13361	1.6
235.31267	1.0
245.98643	1.1
267.15891	35.3
285.16943	100.0
286.17499	1.3
299.18686	1.7
309.16864	10.2
313.11771	1.4
327.18185	1.8
351.17975	2.4
363.17932	2.9
373.14017	4.7
375.17972	1.6
411.20227	1.3
429.20956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	8.7
64.73341	3.7
65.99531	3.6
67.05502	6.7
69.07064	4.8
69.20022	4.6
69.20326	26.5
72.41747	4.2
79.05502	7.0
80.94860	5.5
81.07038	13.0
89.06011	5.9
91.05464	10.0
91.86474	3.7
93.07050	6.4
97.06541	4.7
105.07023	6.5
119.08582	7.0
121.06532	12.7
125.06003	34.8
133.06493	4.9
133.08594	6.1
137.05984	35.7
147.08022	4.9
151.07568	10.6
153.05482	42.5
153.16188	4.3
154.61067	4.5
159.08066	4.4
160.05107	4.6
161.05963	10.4
162.06700	10.2
163.07500	23.7
174.06773	8.5
175.07576	36.3
177.09087	10.5
187.07471	24.5
189.09137	7.7
193.08664	5.7
197.22565	4.0
200.08449	6.3
201.09106	15.1
203.10674	58.0
213.09126	8.7
215.10686	41.9
217.12201	31.9
227.10669	8.8
228.11491	5.3
228.55359	5.2
229.12228	29.7
243.13812	18.2
270.40097	4.8
340.15933	6.6
447.25064	6.6
461.27133	5.2
479.16989	5.2
479.27945	100.0
513.50592	13.2
514.17194	5.7
514.50848	5.5
518.67365	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	514.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	41.0
59.05001	4.7
63.87534	0.5
67.05497	0.7
69.03421	2.4
69.07050	0.6
70.06571	0.8
79.05489	0.8
87.04467	100.0
88.04799	0.6
89.06031	16.1
91.05467	3.4
93.07030	1.9
95.04962	0.6
101.10830	0.6
103.05475	0.6
105.07040	2.3
107.04993	0.9
107.08524	0.6
117.07024	0.8
119.04961	1.5
119.08588	3.4
121.06502	10.0
131.07037	45.2
133.06567	0.6
133.08597	5.0
135.08061	1.0
145.06487	0.9
147.08034	5.1
149.09628	8.3
157.08632	0.7
163.11241	1.0
168.04239	0.5
173.09615	1.7
175.09689	21.5
175.11168	3.0
175.55791	0.6
177.11241	2.3
189.09100	1.0
191.09216	0.5
191.10646	2.9
193.10744	1.0
193.12265	5.6
200.73080	0.5
217.12311	1.1
219.12267	6.3
233.19057	0.8
235.13252	3.1
237.15036	1.3
255.16023	0.9
256.26416	0.7
257.26794	1.4
259.20563	9.4
261.14822	1.0
261.22147	0.7
275.23724	1.6
279.15903	3.9
281.17560	0.6
284.26584	1.4
299.18536	20.1
303.23141	3.1
305.17456	0.8
305.24802	0.6
321.82739	0.6
367.21207	2.5
385.22269	1.2
496.35217	0.6
497.34906	0.7
513.50708	1.7
514.38019	2.8
514.50903	3.3
515.30676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33068	0.7
63.11749	0.7
65.03899	0.7
67.05439	1.2
67.46941	0.6
81.07001	1.1
85.02822	0.9
85.06487	0.9
91.05403	1.9
93.06999	0.8
107.08563	0.9
108.25165	0.7
109.10095	1.4
145.09978	0.7
157.99672	1.3
159.00533	18.8
185.04137	1.6
189.12679	0.9
201.01501	1.1
227.05246	2.4
267.06345	1.0
271.04166	3.2
321.05743	7.6
363.02454	1.5
363.06830	21.4
389.04620	2.0
407.05811	100.0
408.06158	3.7
408.53802	0.8
471.12570	5.1
515.11597	64.2
516.12189	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	515.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10604	0.6
67.69858	0.6
69.31339	3.9
70.07763	0.7
72.10744	0.7
77.63589	0.7
94.07448	0.6
98.97590	2.3
99.46000	0.7
106.88201	0.6
106.96763	0.9
124.99116	0.7
143.00162	1.5
158.99649	1.7
177.00677	1.5
182.20187	0.6
185.01367	0.7
219.01804	1.6
222.02940	0.7
222.88724	0.8
245.03432	0.9
333.56381	0.8
363.06003	1.1
448.90271	0.7
515.11621	100.0
516.12067	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	515.1897
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
56.96568	1.1
57.40982	0.6
60.17999	0.6
76.45014	0.6
79.05501	0.7
81.03409	2.4
83.08654	0.8
85.02901	0.6
91.05479	0.6
93.07050	1.1
95.04967	1.1
98.97577	3.0
105.07102	0.7
107.43211	0.6
116.98604	1.3
128.98631	0.8
139.03891	0.8
158.99625	1.6
167.03409	2.0
168.03754	1.3
177.00703	0.7
181.04846	0.8
193.12234	1.3
194.12561	1.0
219.01810	1.3
237.02927	1.0
242.48062	0.6
267.15845	1.1
268.16458	0.9
285.16864	1.3
286.17261	2.0
293.14148	0.9
311.15167	1.0
335.09396	1.0
335.15359	1.1
353.15988	0.8
455.19482	4.8
471.18573	1.0
473.20746	2.9
515.18817	100.0
516.19250	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	515.1893
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
62.35252	0.4
71.42923	0.5
91.05495	0.6
93.07059	0.5
97.11318	0.5
98.97583	0.7
111.08116	0.5
119.08635	0.5
121.10146	0.7
123.08037	0.5
139.03885	0.8
145.10149	0.5
161.50580	0.5
249.14755	0.7
267.15759	1.1
282.88504	0.4
295.15128	0.6
345.04642	1.5
365.13647	0.7
372.11816	0.4
374.03146	0.4
407.73004	0.5
429.21005	1.2
471.22037	4.1
515.18921	100.0
516.19080	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	515.1892
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
56.96552	1.3
67.05488	1.5
69.63241	5.3
80.98531	1.1
81.07044	2.2
88.89422	1.3
93.07051	2.1
95.08603	2.3
98.97620	1.8
105.07059	2.5
119.08611	2.1
139.03990	1.5
147.11646	1.5
165.05548	2.1
187.92882	1.3
203.17987	2.3
209.04486	2.2
219.01866	2.2
327.25473	1.3
343.39966	1.3
347.07077	2.1
465.30042	1.3
515.18933	100.0
515.27740	7.8
515.35199	25.1
516.19360	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	515.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.7
69.31647	1.7
69.32078	0.9
78.62669	0.5
85.02880	0.6
98.97575	1.5
116.98592	0.5
143.08888	0.5
149.70021	0.5
158.99591	0.6
179.03763	0.5
185.04230	0.6
189.08981	0.6
207.09875	5.2
219.01784	1.6
221.04918	0.6
225.61024	0.4
303.07672	0.5
323.08145	1.3
331.09967	41.5
341.09109	1.0
348.62961	0.5
363.09027	1.4
400.83887	0.5
455.12115	3.3
515.21002	100.0
516.21484	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.3
71.45323	0.3
76.86786	0.3
81.07014	0.4
82.79675	0.2
85.02920	0.3
93.07037	0.3
95.08617	0.3
98.97596	1.0
111.06848	0.3
112.82168	0.3
116.98637	0.5
119.83012	0.3
137.05951	0.6
139.03851	0.4
173.69661	0.3
177.00822	0.4
181.04936	0.4
191.10567	0.4
207.09995	0.9
209.04662	0.3
265.93738	0.3
270.21271	0.3
273.08093	0.3
305.08377	0.7
331.10010	2.2
353.15714	3.2
363.09323	0.5
365.10510	3.2
375.88440	0.3
455.19827	0.8
515.21027	100.0
516.21362	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	515.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75475	0.3
55.01869	0.5
55.79961	0.4
56.96561	0.5
72.74856	0.3
78.89202	0.3
79.05475	0.7
81.07084	0.5
84.33683	0.4
85.02930	0.4
91.05486	0.5
95.04996	0.5
97.02892	0.4
98.97601	2.8
105.07050	0.8
107.04998	0.5
110.97618	0.4
116.98644	0.9
127.03897	0.4
137.02364	0.4
137.05992	0.4
139.03891	0.8
143.34842	0.3
147.06622	0.3
149.05991	0.8
151.03917	1.1
158.99713	1.1
171.06662	0.5
173.13339	0.5
177.00751	0.5
177.05476	0.8
181.04980	6.6
181.06381	0.3
182.05292	3.8
182.77406	0.4
201.12804	0.4
219.01816	0.9
228.89926	0.4
237.02852	0.9
247.71291	0.4
268.16415	0.3
311.15433	0.5
321.17017	1.0
326.09497	0.5
339.14111	0.5
344.10718	0.4
353.02731	0.8
353.15704	2.6
363.08841	0.8
365.10532	3.4
455.19379	2.6
473.20248	1.6
515.20154	100.0
516.20380	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	515.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05493	4.7
57.07067	17.7
61.52935	2.5
67.05499	7.5
71.08614	8.8
71.45935	3.0
79.05482	8.0
81.07057	8.5
83.08602	3.1
83.30416	2.6
89.06032	31.4
91.05483	13.0
93.07040	7.4
95.04996	8.2
95.08604	6.6
103.05466	4.5
105.07014	4.2
107.04952	10.9
109.10159	3.0
115.05453	6.2
117.07018	5.7
119.04980	3.5
119.08550	3.0
121.06490	20.7
122.03604	4.2
123.04420	11.2
125.05986	11.4
133.06496	18.7
133.08611	16.4
135.08006	6.8
136.05164	3.9
137.05962	14.1
139.03906	7.8
139.07559	7.3
145.06482	8.6
147.04324	6.2
147.08018	14.6
149.09608	9.9
150.06728	4.1
151.03870	9.3
151.07603	18.0
152.04684	83.0
153.05495	27.9
154.06206	3.7
161.05997	18.1
162.06720	18.4
163.07510	19.6
165.05484	6.7
165.09135	13.5
166.06261	51.0
167.03409	6.6
167.07048	37.2
168.04172	99.1
169.04858	6.7
173.05936	4.1
175.07567	18.3
176.08279	11.2
177.05467	5.3
177.09119	29.2
177.10703	2.8
177.11247	3.4
179.07039	7.1
181.08618	30.2
183.06541	13.2
183.08006	4.0
187.07628	14.6
188.08321	3.6
189.09087	11.4
191.07057	7.9
191.10695	21.2
192.07773	2.9
193.08615	100.0
201.09132	6.1
205.08611	10.3
207.10170	57.2
209.11676	5.7
215.10660	3.9
219.10210	7.8
221.11737	7.0
228.79044	2.8
233.11694	3.2
233.18979	4.4
247.13277	3.9
277.21597	11.3
403.23151	7.0
451.24939	18.3
455.27716	5.2
465.26151	7.5
483.27420	46.4
484.27921	4.4
494.64026	3.4
497.28918	18.0
515.30182	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01875	1.0
55.05511	16.0
57.03436	4.8
57.07074	5.2
61.02910	1.7
65.03943	3.4
67.05505	86.3
67.72964	0.9
69.03440	3.1
69.07072	14.5
71.04636	0.9
71.05001	3.9
71.08630	1.4
73.02950	1.8
75.04486	1.4
77.03905	2.4
79.05492	54.7
81.03429	1.7
81.07056	92.6
83.04984	2.2
83.08628	8.1
85.00914	0.8
85.02903	3.6
85.06544	3.6
91.05481	33.5
93.07045	70.5
95.04970	6.7
95.08606	67.8
95.09496	1.2
97.02884	2.8
97.06551	4.5
97.10177	3.6
98.22689	4.0
99.08091	2.8
100.01073	0.9
102.57099	0.8
103.05485	1.1
105.04539	2.8
105.07030	22.2
107.08594	39.3
109.06535	3.1
109.10156	36.2
109.71685	0.9
111.08066	2.2
111.11719	1.0
113.09654	1.3
113.35787	0.8
117.07016	12.0
119.08585	20.5
121.06571	0.9
121.10145	38.7
123.08054	2.0
123.11707	17.6
125.09608	1.1
129.07016	3.1
131.08572	24.1
133.10124	14.4
135.08104	1.2
135.11687	32.5
137.09584	1.7
137.13251	5.0
139.11194	1.9
143.08536	2.8
145.10135	18.1
147.11694	12.7
149.09688	1.0
149.13255	23.2
151.11180	1.6
151.14859	2.2
153.12744	1.2
155.21376	0.9
157.10130	2.2
159.11690	17.5
161.13251	12.7
163.11131	1.3
163.14832	15.7
165.12779	2.2
173.13266	15.9
175.14821	4.5
177.12805	1.9
177.16357	6.1
179.14325	1.7
185.13300	1.2
187.14816	11.2
189.16388	1.2
191.14258	2.1
201.01886	0.9
201.16432	4.1
205.15849	1.9
215.18024	2.3
219.17502	1.1
233.22658	3.6
242.35663	0.8
243.21069	33.5
243.23503	1.9
261.22134	100.0
262.22531	2.9
263.23831	1.3
264.56143	0.8
279.23184	2.5
285.22159	1.7
301.21237	1.0
303.23050	1.2
335.25818	15.6
345.24380	1.4
353.26816	18.9
369.24182	2.2
405.26147	1.4
419.28210	0.9
461.28873	1.1
497.31195	2.5
515.26221	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.3
57.03440	6.3
57.07079	4.2
61.02951	3.0
65.03944	3.4
67.05505	90.6
69.03424	3.0
69.07060	15.6
69.30189	10.6
71.04989	3.7
79.05498	51.3
81.07056	100.0
83.08617	10.3
85.02923	3.1
91.05477	25.5
93.07047	60.6
95.04966	6.3
95.08605	74.9
97.10150	3.3
98.22566	4.1
99.08102	3.1
100.87888	2.7
105.04530	3.1
105.07033	23.8
107.08579	38.7
109.06509	4.4
109.10165	28.4
117.07011	9.4
119.08583	18.5
121.10148	31.4
123.11707	19.1
128.93300	2.4
131.08588	21.1
133.10098	12.3
135.08015	3.6
135.11681	24.6
137.05943	2.7
137.09668	3.1
137.13264	5.9
139.07503	6.0
139.11186	3.7
145.10141	15.5
147.11728	12.4
149.13292	19.7
155.26701	2.6
159.11687	13.5
161.13264	11.0
163.14925	13.3
167.07097	4.4
173.13286	13.0
175.14844	3.6
177.16328	4.4
179.14430	3.2
187.14839	9.7
190.46510	2.7
191.14250	2.8
207.10303	2.9
215.18097	3.1
243.21133	29.2
261.22144	82.9
262.22427	4.4
279.23282	5.5
335.25751	24.3
353.26886	12.8
497.30844	6.5
515.23987	6.8
515.31763	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.1
55.27960	3.6
57.03439	8.7
57.07087	5.3
62.02239	3.1
65.03953	5.7
67.05509	86.5
69.03442	8.0
69.07077	19.0
69.07402	4.2
71.11841	2.8
75.95135	2.9
79.05500	60.6
79.05956	5.0
80.05807	4.5
81.03435	8.3
81.07062	100.0
82.07385	3.9
83.08656	5.2
85.02913	10.0
85.06503	3.9
86.06084	4.3
91.05490	36.9
93.07053	63.4
95.04991	9.7
95.08616	74.6
97.06539	5.4
105.07043	26.7
107.04954	3.8
107.08592	35.3
109.06529	6.6
109.10168	43.2
112.32919	3.3
117.06989	16.1
119.08562	28.4
121.10165	38.0
123.11700	15.4
123.36325	3.2
129.05505	3.7
129.06987	4.1
131.08563	24.9
133.10136	19.7
135.11702	28.0
143.08574	4.8
145.10150	16.1
145.78864	3.7
147.11681	19.6
149.13283	21.4
151.65669	3.7
157.10197	7.3
159.11732	20.7
161.13289	9.0
163.14836	11.4
172.62863	3.0
173.13312	14.6
175.14914	3.9
177.12833	3.6
177.16481	7.0
185.13051	3.6
187.14848	7.9
190.87459	3.8
243.21094	25.2
253.51935	3.8
261.22183	67.1
270.17758	4.2
303.23102	3.9
304.11227	4.9
327.50073	3.3
335.25925	22.5
345.23962	6.1
353.26794	15.6
405.26370	4.4
461.29138	4.6
480.30408	7.0
497.31335	8.1
515.26196	4.5
515.37372	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	515.3346
Annotation	Gln Val Leu Arg
Peak:m/z	Relative Intensity
55.05526	0.3
57.07074	0.4
60.29297	0.3
69.41610	1.1
81.07057	0.5
82.67686	0.2
85.42974	0.2
89.05998	0.3
93.07037	0.3
95.08573	0.4
102.09131	0.3
104.12292	0.2
115.78374	0.3
137.05983	0.3
137.28854	0.3
138.09103	0.3
161.13176	0.3
181.08623	0.3
219.41112	0.2
258.27090	0.3
284.26575	0.5
285.27090	0.4
297.12686	0.3
437.33969	0.4
497.36346	0.4
514.51056	1.4
515.33203	100.0
516.33356	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	515.3349
Annotation	Gln Val Leu Arg
Peak:m/z	Relative Intensity
61.22653	0.5
65.50145	0.5
67.05512	0.8
79.05509	1.0
81.07069	2.0
91.05496	0.8
95.08601	1.0
98.22704	1.6
107.08609	0.7
110.88681	0.5
119.08690	0.6
177.09145	0.7
193.08730	0.6
311.06665	0.6
323.49863	0.7
429.26068	6.1
514.51428	0.8
515.32947	100.0
516.33112	3.7
529.34277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.337
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
51.93711	0.4
53.89702	0.4
55.05516	1.3
59.06149	0.4
63.11447	0.4
65.03954	1.1
66.04722	0.4
67.05498	1.9
68.99805	0.5
69.07072	1.6
69.18638	0.9
69.19050	1.7
79.05493	3.1
81.07068	3.0
83.08622	0.8
91.05468	3.6
93.03388	0.6
93.07037	0.7
94.04182	0.6
95.04967	1.7
95.08612	1.2
96.05750	0.5
97.06476	0.5
100.08659	0.4
103.05469	0.9
105.04494	0.6
105.07044	1.6
107.04942	3.4
107.08651	0.4
108.05711	0.6
109.02876	0.9
109.06519	3.0
109.10178	0.5
110.03677	0.5
111.04433	1.2
111.08088	1.2
115.05451	0.8
117.07033	0.9
119.04961	1.1
121.02864	0.8
121.06512	3.8
122.03653	1.2
123.04440	4.3
123.08052	1.3
124.05211	3.4
125.02323	0.4
125.05999	4.1
126.55874	0.4
133.06483	3.9
135.04425	0.7
135.08060	0.9
136.05177	3.3
137.05971	8.8
138.06770	4.9
139.03888	5.3
139.07542	11.8
140.04691	3.6
144.51807	0.4
145.06529	0.6
147.04404	1.4
147.08069	1.5
149.05968	1.3
150.06807	0.8
151.03911	12.0
151.06342	0.8
151.07542	12.7
152.04683	100.0
153.05467	9.5
153.09077	2.2
154.06247	25.2
154.07523	0.8
155.07019	2.1
160.05209	0.4
161.05963	3.7
161.09593	0.7
162.06755	3.5
163.07545	5.7
165.05482	1.7
165.09131	2.8
166.06259	60.4
167.07034	82.8
168.07828	3.7
169.08601	8.4
174.56137	0.3
175.07523	1.6
176.08347	2.0
177.09116	14.6
178.06281	0.9
179.07039	3.6
179.10625	0.5
179.31027	0.4
180.07797	4.5
181.08592	57.5
182.09059	0.6
182.92542	0.4
183.10172	1.8
185.08159	0.4
189.09174	0.8
191.10646	5.2
192.07619	0.6
193.08600	11.4
195.10161	6.9
203.10608	0.5
205.12189	0.6
207.10167	10.2
221.11734	2.5
235.13332	0.5
271.09503	0.4
309.48401	0.5
329.13620	0.4
331.26474	0.7
347.25784	0.8
361.27301	2.8
441.29617	0.5
451.28421	2.4
473.32712	0.6
483.31079	16.3
484.31448	0.7
500.31250	1.7
514.50732	0.4
515.33820	11.1
516.33960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01866	0.2
55.05511	0.7
57.07072	74.2
58.07399	0.6
59.05003	0.6
65.03945	0.3
67.05502	0.1
69.03422	0.8
69.07058	0.8
71.05002	0.1
71.08626	1.2
73.02905	0.2
73.06551	1.4
73.27499	0.1
74.06075	0.1
77.03907	2.2
79.05492	0.7
81.07055	0.3
83.04985	0.5
83.08601	0.5
87.03880	0.1
87.04053	0.1
87.04463	10.8
89.06025	100.0
90.04709	0.2
90.06367	0.7
91.04874	0.1
91.05022	0.1
91.05471	9.3
91.07601	0.6
93.07038	11.6
94.07378	0.2
95.04961	5.0
95.08582	0.6
97.10178	0.3
99.08095	0.1
103.05462	3.6
105.04514	2.1
105.07023	2.0
106.04137	0.1
107.04955	1.1
107.07068	1.3
107.07730	0.1
107.07881	0.2
107.08585	2.6
109.06519	1.1
109.10134	0.2
113.13294	1.3
115.05455	0.3
115.11177	0.1
117.07006	1.6
117.09119	0.6
118.06486	0.2
118.07789	6.6
119.04939	4.5
119.08575	5.2
120.08926	0.1
121.06496	48.3
121.10088	1.1
122.06773	0.6
123.08064	1.0
123.11681	0.2
129.06947	0.6
130.08633	1.4
131.07037	2.6
131.08493	0.6
132.09370	0.1
133.08594	61.0
134.08922	0.6
135.08044	3.7
135.10165	0.2
135.11682	2.0
139.07545	0.2
143.08647	0.1
144.09341	0.3
145.06493	0.2
145.07564	0.2
145.10133	0.3
147.08035	13.2
148.08337	0.2
149.09605	4.3
149.13269	0.8
150.06744	3.2
151.09680	0.3
159.11679	1.9
161.09650	0.2
163.07492	0.8
163.08795	0.1
163.11169	2.4
163.14845	0.1
165.09100	25.5
166.09427	0.3
167.10657	1.8
173.09630	0.5
175.09645	0.8
175.11235	0.4
177.11223	17.5
177.12712	1.8
178.11598	0.2
179.10713	0.1
179.12779	0.1
183.10210	0.1
191.10645	2.9
192.11011	0.1
193.12209	1.0
195.12282	0.3
207.10188	0.2
207.13762	0.3
209.11711	12.4
210.12126	0.2
211.13268	1.7
217.12291	0.2
217.17027	0.6
221.13815	2.6
227.12749	0.4
231.17409	0.4
233.18979	22.2
234.19356	0.6
235.13263	1.3
239.14859	0.4
242.90491	0.1
247.20511	0.2
253.14330	1.4
255.15819	0.4
259.20572	2.1
265.16422	0.4
271.15305	1.1
275.20050	0.3
275.23666	1.2
277.21600	31.3
278.21906	0.9
279.15860	0.6
283.17395	0.3
297.16931	0.4
299.18491	0.2
303.23212	0.8
309.19180	0.1
315.18015	3.1
321.24225	4.9
322.24512	0.1
359.20605	2.4
379.75677	0.1
403.23239	11.3
404.23532	0.4
427.30359	0.2
471.32965	0.4
515.35767	2.9
516.36273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.05500	1.4
57.07070	2.0
61.02901	1.9
67.05497	8.2
69.03424	9.1
69.07053	4.7
71.05001	1.3
73.02919	1.9
77.03929	1.1
79.05499	5.4
81.03422	5.9
81.07062	12.8
85.02905	17.9
85.06533	5.7
87.00817	7.1
87.04496	1.1
91.05479	13.0
93.07047	9.4
95.08605	11.9
97.02893	6.4
99.04443	2.4
105.01870	11.5
105.07023	14.8
107.08597	7.2
109.02886	6.5
109.06530	2.6
109.10146	12.1
117.07014	14.6
119.08567	7.9
121.06544	1.3
121.10136	3.4
127.03900	13.2
129.07011	1.5
131.08565	32.5
133.06540	1.2
133.10123	5.4
135.08012	2.5
137.05971	15.2
143.08618	1.9
145.04982	4.0
145.10132	20.9
147.07990	1.1
147.11653	3.8
149.09641	2.4
151.07582	2.8
157.10155	3.7
159.02861	2.4
159.08055	5.1
159.11690	7.3
161.13266	2.1
163.07553	9.8
172.12158	1.1
173.09604	4.2
173.13232	3.1
177.09113	28.5
185.13310	2.3
187.14813	40.1
189.16425	2.5
191.10637	8.2
197.13208	1.4
203.18031	1.0
205.12286	3.0
205.15863	3.2
215.14311	38.2
216.14763	1.2
217.15938	1.4
231.05060	3.3
233.15358	100.0
234.15623	2.5
249.06085	2.8
251.16249	1.1
301.21555	3.6
314.99673	1.1
319.22604	8.6
337.23529	1.5
463.19473	4.1
481.20535	7.3
516.28125	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	516.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01874	2.1
55.05505	2.2
55.47665	1.8
57.03426	4.0
58.30395	1.8
63.33714	1.8
64.26104	2.1
65.03936	2.8
67.05494	6.1
68.85239	1.9
69.03445	13.2
70.12070	1.9
70.55711	1.8
71.04972	2.5
75.04471	4.8
77.03901	2.3
79.05490	16.1
81.03410	11.8
81.07056	7.4
83.04992	2.6
85.02911	9.6
91.05482	16.1
93.07043	82.9
95.04950	10.9
95.08606	5.7
97.02901	11.1
99.04446	3.2
105.04521	2.6
105.07041	14.3
107.04965	2.9
107.08611	11.6
109.02863	6.5
109.06537	2.7
109.10170	4.2
111.04435	17.3
111.08044	4.7
119.08585	17.8
121.04070	2.0
121.06457	2.8
121.10143	100.0
122.10472	2.6
123.04416	15.5
123.08059	3.1
123.11704	4.8
127.03877	6.4
131.08585	6.6
137.09641	2.5
139.03893	32.2
140.04709	3.0
145.10094	4.2
149.09608	36.5
165.09116	2.9
167.10669	19.8
171.06526	25.4
183.06516	74.9
207.06552	8.6
215.14275	3.0
233.15411	4.9
261.07599	5.9
263.12772	2.7
279.08698	2.7
293.13806	6.7
311.14969	11.1
319.15399	7.2
427.17416	2.5
427.77609	2.3
516.20374	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	516.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
67.05506	10.0
69.03426	1.8
69.07072	3.6
69.21893	3.3
69.22295	2.3
71.04980	1.9
78.85395	0.9
79.05467	5.1
81.03423	1.7
81.07050	11.2
83.01347	2.1
83.08627	1.7
85.02911	4.4
91.05479	2.2
93.07042	3.6
95.08609	14.6
97.02896	1.6
97.06510	1.4
105.01876	1.9
105.07053	1.3
107.08568	1.5
109.06538	2.7
109.10155	2.7
117.07037	1.2
119.08606	1.5
121.06537	1.1
121.10143	2.9
125.06017	3.2
127.03939	1.5
131.08589	1.8
133.10117	1.5
135.08057	1.6
137.05974	100.0
149.09644	1.4
151.07547	5.6
157.10176	1.4
161.05988	4.4
163.07535	16.9
175.07553	2.1
177.09103	30.6
187.07643	0.9
191.10635	8.8
203.07042	1.2
203.41861	1.0
205.12263	3.5
219.13811	1.6
233.15372	3.4
243.10211	1.1
277.21875	1.1
294.79004	1.1
301.21512	6.6
319.22681	22.8
320.23108	1.9
337.23712	51.3
343.22647	3.0
361.23535	1.8
385.23920	2.1
516.25299	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	516.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.7
58.23364	2.5
67.05496	4.8
69.18082	13.1
69.18479	5.8
81.07045	3.6
84.12088	3.1
94.39002	3.0
95.08562	3.7
125.05992	4.7
130.60368	3.6
137.05968	13.6
139.07521	2.8
151.07581	2.9
153.05556	5.6
163.87558	3.0
164.98158	3.0
167.07094	11.2
227.07042	5.3
241.08401	5.2
255.06497	7.1
259.06091	16.6
269.08017	6.7
273.07626	9.4
274.08347	11.6
287.09134	9.4
289.07196	4.3
418.17172	3.3
421.23557	3.3
435.25082	3.0
439.24582	3.8
440.25430	11.6
453.20853	3.1
453.26297	19.3
471.27432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46433	0.8
55.05502	2.3
57.07070	1.0
65.03941	1.8
67.05496	7.7
68.99796	0.9
69.03390	0.8
69.07056	1.7
70.71526	1.0
76.87691	0.9
79.05484	4.6
80.13244	0.8
81.07060	6.4
82.04198	1.0
83.08614	1.6
91.05474	3.1
93.07047	2.3
94.04180	1.3
95.04967	4.4
95.08629	5.3
97.06512	3.4
97.10151	1.1
103.05462	2.4
105.07030	2.5
107.04972	5.6
108.02101	3.3
109.06506	1.3
109.10157	2.4
111.04426	3.3
115.05383	1.0
117.07026	1.0
121.06503	3.8
121.10172	1.2
123.04420	8.3
123.08119	0.9
125.05994	60.0
131.04936	1.8
133.06462	1.6
133.10149	1.1
135.04375	1.1
135.08049	3.0
135.11615	0.9
137.05980	33.8
139.03914	5.1
139.07576	1.5
141.05457	10.2
145.06467	1.6
147.04372	1.2
147.08018	1.1
149.05986	9.3
149.09601	1.8
151.03903	39.1
151.07516	4.8
153.05466	100.0
154.05815	1.2
161.05998	3.3
162.06760	1.5
163.07542	47.2
165.05389	1.5
165.09085	1.3
166.06258	3.1
167.07031	5.0
171.06609	1.5
175.07541	5.0
177.05402	2.0
177.09102	33.0
179.06995	3.9
181.08601	3.8
182.08925	1.4
187.07629	1.8
189.09125	3.4
191.10667	10.6
193.08604	2.4
203.10674	5.3
205.12192	2.9
207.10275	1.5
217.12204	4.3
221.11902	0.8
231.13806	0.9
233.15399	1.2
283.03131	0.9
301.21594	1.9
302.20639	0.9
313.27460	1.4
319.22650	6.0
331.22690	2.7
403.22403	1.2
421.23703	4.2
425.26810	1.0
435.25089	6.7
439.24796	25.4
453.26376	31.8
454.26709	1.5
463.27963	0.8
467.28009	1.2
471.27426	54.6
472.27493	2.2
481.29114	4.0
499.30560	4.4
515.34833	0.8
516.30518	1.4
517.25562	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	516.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
60.05634	1.1
66.36905	0.6
67.05508	1.3
69.07079	1.1
69.26099	2.7
69.26513	0.9
79.05488	1.9
81.07043	2.1
83.01307	1.1
83.57820	0.6
87.04440	0.8
91.05470	2.7
93.07046	1.0
95.05018	0.7
95.08590	0.9
96.05758	1.0
98.23321	1.9
102.84488	0.7
105.07052	1.0
107.04952	2.3
109.06499	2.1
111.08091	1.4
117.07079	0.7
119.59385	0.7
121.06522	2.6
123.04407	1.7
123.08055	1.3
124.05195	4.0
125.05985	6.9
131.08626	0.9
135.08078	2.0
137.05974	34.1
139.07535	49.8
145.06468	0.8
147.08040	0.8
149.09607	0.8
151.03925	0.8
151.07550	14.1
153.05453	13.7
155.07040	0.9
159.08018	1.7
161.05974	0.8
163.07542	11.0
166.06247	1.0
167.07031	100.0
168.04176	1.4
168.07335	1.4
171.08470	0.6
177.09091	12.7
179.06993	0.9
181.08618	1.2
183.06606	0.7
191.10699	3.1
193.08572	1.0
207.74655	0.6
235.18126	0.6
305.24936	0.6
313.54874	0.6
317.24713	3.4
321.31772	0.7
410.91861	0.6
439.28448	21.5
440.28653	1.7
453.30286	3.1
471.31100	26.5
472.31903	0.7
517.28162	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	517.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33847	0.6
64.65627	0.7
70.06590	1.6
70.18816	1.6
84.08141	11.2
85.08478	0.9
90.41276	0.7
130.08640	14.1
131.08998	1.0
136.94041	2.0
138.14487	0.6
151.71346	0.7
156.88599	0.9
166.95071	1.4
174.89656	100.0
203.81310	0.7
205.05063	1.5
234.90868	2.1
235.06100	1.7
252.91960	0.9
268.81046	0.6
318.92975	2.9
355.10419	0.9
381.07980	10.9
419.03604	1.8
462.75040	0.7
516.09290	0.8
516.98242	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	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
56.30071	0.7
57.03432	1.1
60.32887	0.5
61.95510	0.7
69.03429	1.6
69.80021	2.7
70.34130	0.6
76.53563	0.7
81.03415	1.1
85.02914	5.4
86.04095	0.6
91.61942	0.7
97.02892	2.7
98.02605	0.6
98.23486	0.9
109.02876	2.2
127.03883	0.9
128.08594	0.6
146.37239	0.7
148.89696	0.7
151.03902	1.0
161.06041	1.0
165.05435	1.2
177.05437	1.1
178.06172	1.0
184.79924	0.8
189.05489	11.1
192.04195	1.0
193.04979	7.0
195.02904	1.1
201.05350	1.0
203.07063	5.2
205.04965	91.5
206.05719	11.6
207.06409	0.9
217.04951	15.9
217.08409	0.9
219.06502	5.1
227.06975	2.5
229.04967	3.3
230.05771	1.9
231.02986	1.2
231.06520	21.0
233.04407	1.9
235.06010	100.0
236.06383	1.6
243.03020	1.4
243.06448	2.0
245.04405	0.9
245.08084	12.9
247.06102	1.8
255.06494	3.1
257.04324	1.3
259.06015	36.4
261.03848	0.8
265.07083	1.4
271.05991	7.9
273.07562	4.5
283.06012	9.1
289.07071	28.5
301.07083	16.6
302.07535	0.7
319.08124	19.6
337.09171	31.7
338.09296	1.0
355.10236	58.5
356.10669	1.2
397.11340	2.0
468.35739	0.8
517.14209	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	517.1682
Annotation	Vitexin 2''-O-(2'''-methylbutyryl)
Peak:m/z	Relative Intensity
55.05503	0.4
66.88051	0.2
67.05489	0.3
69.03445	0.3
69.07054	0.4
73.42801	0.2
81.07047	0.6
83.08595	0.3
85.02903	0.6
91.05499	0.3
93.07045	0.3
95.08609	0.5
97.02891	0.3
100.11253	1.5
105.01834	0.4
105.07019	0.5
107.08576	0.4
109.10143	0.8
119.08551	0.3
121.10145	0.4
125.06009	0.3
127.03914	0.4
131.08557	0.4
132.08940	0.3
133.10126	0.3
135.08083	0.2
137.06009	0.8
139.03885	0.5
142.12254	0.4
148.99683	0.3
151.04230	0.2
163.07628	0.4
168.13799	0.3
177.09161	0.5
182.15430	0.5
183.15788	0.3
188.15120	0.3
204.18433	0.3
209.16536	0.5
210.14943	0.6
215.14214	0.3
216.14616	0.5
231.02522	0.2
233.15268	0.5
234.15697	1.0
235.13472	0.3
264.80725	0.3
309.13071	0.3
457.17435	0.3
497.20331	0.2
517.16791	100.0
518.17096	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	517.2259
Annotation	YM022
Peak:m/z	Relative Intensity
51.55111	0.2
53.32824	0.2
55.05515	0.2
69.33885	0.9
70.75933	0.2
89.25889	0.2
91.21414	0.2
96.79466	0.2
97.47061	0.2
98.23460	0.5
101.61411	0.2
162.05318	0.2
182.07190	0.2
185.04048	0.2
193.23895	0.2
203.05319	0.3
205.47507	0.2
245.06447	0.5
248.49910	0.2
249.11279	1.0
275.07538	0.3
305.08420	2.3
347.09290	0.3
355.17249	2.9
365.10538	16.4
366.10916	0.4
436.51828	0.2
517.22559	100.0
518.23029	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	517.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.2
69.39557	0.3
69.39953	0.5
69.69097	0.2
71.42082	0.2
80.02727	0.2
81.07090	0.2
84.08127	0.4
85.02905	0.3
91.05477	0.3
98.22681	0.3
107.08575	0.2
119.98774	0.2
122.27139	0.2
127.03897	0.2
131.12917	0.2
137.05997	0.7
151.07576	0.4
160.04918	0.2
187.07564	0.3
193.12283	0.3
199.14725	0.3
216.69098	0.2
217.12222	0.3
319.22656	0.2
347.09317	0.5
355.17297	4.5
355.25714	0.3
365.10556	0.4
517.22583	100.0
518.22913	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	517.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19558	0.3
63.24005	0.3
69.03429	0.4
70.51142	0.6
81.07021	0.3
84.04359	0.3
85.02886	0.4
87.32074	0.3
137.06000	0.6
145.10234	0.3
172.74959	0.3
201.82156	0.3
222.74913	0.3
245.06354	1.1
311.86826	0.4
335.09363	1.9
355.17151	2.4
365.10526	1.6
377.10516	15.8
378.10986	0.4
517.22522	100.0
518.23029	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	517.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74997	0.4
69.07079	0.5
69.63673	1.2
69.64080	0.8
70.61568	0.5
74.35813	0.5
81.07065	0.9
85.02903	0.9
91.05521	0.7
93.07044	1.0
95.08635	0.6
98.97587	0.5
102.48028	0.5
105.07056	0.8
109.06534	0.5
117.07027	0.5
119.08621	0.7
121.43810	0.4
133.10086	0.5
133.89413	0.5
137.06021	0.7
139.03896	0.8
177.09167	0.5
203.05428	0.6
212.71779	0.5
245.06322	0.9
285.15408	0.5
295.15283	0.7
323.18710	0.5
347.09302	0.6
349.66653	0.5
355.17218	2.2
363.09088	1.0
365.10556	3.5
377.10535	20.4
378.11142	0.5
384.52106	0.5
447.18707	1.2
517.22589	100.0
518.22974	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	517.2261
Annotation	YM022
Peak:m/z	Relative Intensity
50.51468	0.3
67.05511	0.4
69.03436	0.6
70.03403	1.0
73.46663	0.4
81.07074	0.9
85.02921	0.5
91.05518	0.5
93.07067	0.6
95.04958	0.5
95.08588	0.8
96.07066	0.4
101.88451	0.4
103.80580	0.4
105.07059	0.8
107.04965	0.4
107.08600	0.7
127.03901	0.5
133.10179	0.6
137.05946	0.9
139.03954	0.5
152.21425	0.4
153.01869	0.4
157.92024	0.4
163.07610	0.8
189.09232	0.5
201.03786	0.6
203.05266	0.6
213.12761	0.5
231.13861	0.7
245.06339	1.3
295.15097	0.4
310.39017	0.4
323.18237	0.5
347.09369	0.6
355.17303	2.7
363.08990	1.3
365.10544	4.2
377.10559	22.2
378.11002	0.7
397.21094	0.4
447.18509	1.3
499.21680	0.5
517.22589	100.0
518.22974	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	517.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32701	0.4
66.18987	0.4
69.30987	2.2
83.12371	0.4
87.04482	0.4
103.03892	0.6
118.03527	0.4
119.98291	0.4
137.05997	0.5
151.07616	0.6
175.03748	0.5
192.01939	0.5
226.09673	0.4
228.88420	0.4
230.65202	0.4
241.14375	0.4
306.58130	0.5
442.29962	0.5
489.25873	0.8
517.25598	100.0
518.26044	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	517.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25198	0.6
55.05500	4.8
57.03432	1.7
57.07066	2.6
67.05507	20.2
69.07081	6.4
71.08635	1.6
71.43977	1.2
79.05483	7.7
81.07056	22.4
83.08643	4.3
85.06535	1.2
85.10176	1.0
86.09682	0.9
91.05491	4.3
93.07072	4.2
95.08608	18.8
97.06525	1.8
97.10182	2.4
98.23190	0.7
99.08091	1.1
102.20817	0.7
102.21539	0.6
104.09358	0.7
104.10741	3.4
105.07014	3.0
107.08580	5.3
109.10141	9.8
111.11672	1.0
119.08592	3.2
121.10139	5.8
123.11742	4.8
131.08479	0.7
133.10149	3.0
135.11722	2.6
137.05977	1.0
137.13255	2.7
144.88927	0.7
145.43626	0.7
147.11687	1.9
149.13286	2.3
150.38457	0.7
151.14862	1.6
161.13255	3.2
163.14873	2.3
165.16444	2.2
175.14839	2.2
179.17970	2.2
189.16457	1.6
245.22639	11.2
263.23694	15.5
303.23074	0.7
337.27332	11.4
354.25284	0.8
438.00888	0.8
459.24774	1.4
499.32629	0.9
517.25598	100.0
518.25592	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	517.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75027	0.5
53.03942	0.6
55.01854	0.7
55.05489	1.1
57.07092	0.5
60.01868	0.4
65.03912	0.6
67.05501	2.9
68.99785	0.4
69.07042	1.5
71.05007	0.5
71.45516	0.4
77.03928	0.4
78.99445	0.4
79.05472	1.7
81.03436	0.5
81.07041	2.4
83.01326	1.1
91.05461	1.8
93.07014	1.4
95.04968	2.7
95.08593	2.0
95.12296	0.4
97.06487	0.5
105.07015	1.3
106.32001	0.4
107.04912	0.6
107.08595	0.7
109.06519	2.6
109.10136	0.5
110.03632	0.7
111.04425	1.1
116.07823	0.4
119.04893	0.7
119.08533	1.0
121.06464	0.7
123.04431	7.7
123.08038	0.5
125.02392	0.6
125.05984	3.5
126.03146	0.8
127.03904	0.7
129.06987	0.6
133.06456	1.7
135.04396	0.5
135.08028	0.4
135.11646	0.4
137.05977	8.1
139.03912	5.1
139.07510	1.6
140.04651	1.7
141.05458	4.5
145.10141	0.5
147.04366	0.7
147.08046	1.6
149.02382	0.5
149.05986	0.5
151.03867	0.8
151.07544	3.1
152.04671	1.6
153.01746	0.6
153.05467	8.5
155.03404	0.4
155.07036	2.4
156.04112	0.9
161.06009	2.2
161.09648	0.7
162.06694	0.7
163.03896	0.6
163.07553	1.0
165.05420	0.9
165.06766	0.5
165.09109	0.7
167.03398	9.6
167.07024	3.6
168.04176	100.0
169.04964	9.5
173.05815	0.4
175.07565	1.9
177.05499	1.2
177.09079	1.1
179.07092	3.4
181.04993	0.7
182.05765	3.4
183.06528	32.5
189.09021	1.1
191.06989	0.9
191.10678	0.5
193.08598	7.6
197.08134	2.1
203.10606	0.5
207.10164	5.5
273.18396	0.5
401.27539	0.4
425.22885	0.5
429.26483	0.6
439.24667	0.5
453.22379	1.0
457.25919	5.0
461.29251	1.9
467.24194	2.4
471.27441	0.8
485.25153	6.7
489.28482	15.2
499.27051	1.8
517.27930	17.1
517.36945	1.6
518.28241	1.2
529.57819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73901	1.2
53.03952	1.7
55.05518	7.2
59.29953	1.2
66.25116	1.2
67.05497	7.6
69.03436	3.8
69.07076	5.5
69.56578	1.6
70.50534	3.0
71.05003	5.5
79.05496	5.4
81.03419	2.8
81.07066	9.3
83.01342	1.7
83.05017	2.5
83.08612	1.9
85.02913	6.3
85.06541	7.0
91.05497	3.9
93.07059	4.4
95.08604	9.1
97.02889	2.8
98.22797	1.3
100.68913	1.2
101.06078	1.3
105.07042	5.7
107.08617	2.9
109.06540	2.1
109.10175	2.7
117.07027	2.2
119.08601	3.4
121.10165	3.9
123.08170	1.7
125.05999	1.4
127.03939	3.4
129.07079	1.3
131.08594	4.9
133.10135	2.2
135.08131	1.8
135.11661	1.7
137.05977	89.9
143.08620	3.9
145.06554	2.5
145.10146	2.8
147.11722	2.4
149.06010	2.0
149.09662	4.4
151.07524	9.0
151.11259	1.2
153.05455	1.8
157.10164	2.5
158.07317	1.2
159.08055	2.3
159.11667	2.2
161.05986	22.7
161.09625	3.5
163.07538	17.5
171.08104	1.9
173.09691	1.5
173.13300	1.3
174.06784	1.5
175.07559	8.7
175.11171	1.4
177.09126	21.3
187.07585	2.4
189.09154	3.9
189.16403	2.1
191.10715	4.8
199.14905	5.2
201.09163	5.1
202.67624	1.4
203.07097	7.0
203.10699	1.8
205.12277	2.4
215.10774	2.7
215.14388	2.6
216.14728	1.3
217.12305	1.9
217.15822	6.7
227.07060	3.0
229.08578	1.5
231.13858	4.3
233.15257	1.4
235.17030	4.3
243.10292	2.2
249.14970	2.9
263.16391	2.5
301.21652	6.1
319.22668	64.4
320.22891	1.6
323.18597	3.0
325.21600	1.9
341.21381	2.4
343.22659	13.2
355.17441	3.4
355.25055	2.8
357.24399	1.6
363.09061	2.1
383.58658	1.4
385.23676	9.9
409.23886	2.9
436.19641	2.5
457.20560	1.7
472.93008	1.4
490.67853	1.4
517.22601	100.0
518.22937	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	517.3013
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
52.73901	1.2
53.03952	1.7
55.05518	7.2
59.29953	1.2
66.25116	1.2
67.05497	7.6
69.03436	3.8
69.07076	5.5
69.56578	1.6
70.50534	3.0
71.05003	5.5
79.05496	5.4
81.03419	2.8
81.07066	9.3
83.01342	1.7
83.05017	2.5
83.08612	1.9
85.02913	6.3
85.06541	7.0
91.05497	3.9
93.07059	4.4
95.08604	9.1
97.02889	2.8
98.22797	1.3
100.68913	1.2
101.06078	1.3
105.07042	5.7
107.08617	2.9
109.06540	2.1
109.10175	2.7
117.07027	2.2
119.08601	3.4
121.10165	3.9
123.08170	1.7
125.05999	1.4
127.03939	3.4
129.07079	1.3
131.08594	4.9
133.10135	2.2
135.08131	1.8
135.11661	1.7
137.05977	89.9
143.08620	3.9
145.06554	2.5
145.10146	2.8
147.11722	2.4
149.06010	2.0
149.09662	4.4
151.07524	9.0
151.11259	1.2
153.05455	1.8
157.10164	2.5
158.07317	1.2
159.08055	2.3
159.11667	2.2
161.05986	22.7
161.09625	3.5
163.07538	17.5
171.08104	1.9
173.09691	1.5
173.13300	1.3
174.06784	1.5
175.07559	8.7
175.11171	1.4
177.09126	21.3
187.07585	2.4
189.09154	3.9
189.16403	2.1
191.10715	4.8
199.14905	5.2
201.09163	5.1
202.67624	1.4
203.07097	7.0
203.10699	1.8
205.12277	2.4
215.10774	2.7
215.14388	2.6
216.14728	1.3
217.12305	1.9
217.15822	6.7
227.07060	3.0
229.08578	1.5
231.13858	4.3
233.15257	1.4
235.17030	4.3
243.10292	2.2
249.14970	2.9
263.16391	2.5
301.21652	6.1
319.22668	64.4
320.22891	1.6
323.18597	3.0
325.21600	1.9
341.21381	2.4
343.22659	13.2
355.17441	3.4
355.25055	2.8
357.24399	1.6
363.09061	2.1
383.58658	1.4
385.23676	9.9
409.23886	2.9
436.19641	2.5
457.20560	1.7
472.93008	1.4
490.67853	1.4
517.22601	100.0
518.22937	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	517.3161
Annotation	Probucol
Peak:m/z	Relative Intensity
51.02375	0.4
53.03927	0.6
55.01851	0.7
55.05300	0.3
55.05510	3.5
57.03438	0.4
57.07069	3.8
65.03935	2.0
65.04227	0.3
66.04702	0.4
67.01853	0.5
67.05499	5.9
68.99792	1.1
69.07066	3.2
69.11553	0.9
69.11974	1.3
71.04970	0.4
71.08621	1.4
77.03922	0.4
78.04727	0.6
79.01842	0.7
79.05491	3.8
81.07052	3.6
83.04960	1.2
83.08606	1.3
85.02891	0.7
85.10152	0.5
90.15369	0.3
91.05477	3.7
93.03388	1.8
93.07030	1.6
94.04188	0.5
95.04964	6.3
95.08618	2.9
97.02867	0.3
97.06493	0.9
97.10151	0.7
98.22926	1.8
103.05447	1.1
105.03389	0.7
105.04478	0.4
105.07027	1.4
107.04941	4.3
107.08582	0.8
108.05730	1.6
109.02861	0.6
109.06519	2.6
109.10148	1.0
110.03606	0.5
111.04441	7.0
111.08104	0.4
112.96499	0.3
115.05451	0.7
117.07014	0.9
119.04917	0.8
119.08548	0.8
121.02876	1.1
121.06498	4.3
121.10140	0.5
122.03638	0.9
122.07260	0.3
123.04424	17.2
123.08075	1.8
124.05217	1.9
125.02331	1.5
125.05984	6.7
126.03133	2.7
126.06789	0.9
127.03918	1.0
129.06952	0.4
131.04915	1.3
131.08557	1.1
133.06503	1.5
133.10123	0.4
135.04417	2.5
135.08011	1.6
136.05180	2.8
137.04924	0.6
137.05960	9.7
138.06752	15.9
139.03891	39.6
139.07521	8.6
140.04646	0.8
140.08281	0.5
141.05450	12.2
145.06470	1.3
145.10120	0.7
147.04390	1.1
147.08022	1.3
149.02336	5.1
149.05940	2.7
149.09612	1.0
149.13313	0.4
151.03900	1.5
151.07536	22.7
152.04662	0.9
152.08319	3.3
153.01854	2.6
153.05458	19.5
153.09084	1.3
154.02814	1.7
154.06236	100.0
155.03401	2.5
155.06844	1.3
159.04440	1.1
159.08029	0.8
160.51703	0.3
161.05946	3.0
161.09634	0.5
162.03276	0.5
162.06755	0.4
163.03896	9.2
163.07523	3.4
165.05420	1.0
165.06747	0.4
165.09103	3.3
166.02611	0.5
166.06253	7.3
167.03387	7.8
167.07027	20.5
168.04176	5.1
168.07813	20.8
169.04955	33.8
169.08594	24.8
170.05281	0.4
171.08110	0.4
173.05994	0.8
173.09575	0.6
175.07538	1.3
176.08284	0.7
177.05455	5.2
177.09093	3.3
179.06998	3.0
180.04218	0.4
181.08583	30.3
182.05719	0.5
182.09389	2.1
183.06549	5.7
183.10150	11.3
187.07579	0.8
189.09126	0.7
191.07024	2.3
191.10623	1.0
193.08585	4.6
195.06496	1.4
195.10179	1.3
201.09059	0.4
205.08611	1.4
206.09428	0.5
207.10146	4.1
209.08026	0.4
217.12268	0.4
219.10185	0.7
221.11745	1.5
261.22067	0.4
286.37027	0.4
287.09262	0.4
289.21561	0.9
303.22934	0.5
317.21158	1.2
321.24280	2.4
331.22696	1.1
421.23462	0.5
425.26797	0.5
453.26385	2.6
454.26993	0.6
457.29266	1.2
467.27936	1.9
468.28308	0.5
485.29031	6.7
486.29541	0.8
489.32132	0.4
499.30469	3.6
502.29248	5.5
517.31537	33.1
518.31830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.00317	0.4
53.03954	0.7
55.01891	1.3
55.05511	2.6
57.03447	0.4
57.07086	1.3
65.03956	1.4
66.04716	0.4
67.05503	5.9
68.99809	1.2
69.03441	0.9
69.07068	2.3
69.75050	0.6
69.75394	0.6
71.05000	0.6
71.08635	0.5
75.07396	0.3
77.03940	1.2
79.05492	4.9
80.06313	0.3
81.03431	0.7
81.07060	4.3
81.07491	0.3
83.01349	0.7
83.04993	0.9
83.08619	1.5
85.02896	0.4
91.05470	5.5
93.03397	0.6
93.07043	3.3
93.07534	0.4
94.04207	0.9
95.04971	7.1
95.08602	3.4
96.05785	0.4
97.06544	0.7
97.10170	0.7
98.22778	0.6
98.23375	0.6
101.66019	0.3
102.01457	0.3
103.05482	1.0
105.03395	0.9
105.04519	1.2
105.07036	2.4
107.04958	4.5
107.08623	1.0
108.05762	1.0
109.02872	0.5
109.06524	3.8
109.10187	0.9
110.03665	1.3
111.04465	2.3
111.08104	0.7
115.05466	0.5
117.07030	1.3
119.04920	0.8
119.08589	1.1
121.02856	0.4
121.06507	8.7
121.10153	0.6
122.03642	0.6
123.04427	15.4
123.08062	4.4
123.11711	0.6
124.05216	1.5
125.02377	0.9
125.05984	8.6
126.03141	1.1
127.03905	0.6
129.07033	0.6
131.04944	0.7
131.08575	1.2
133.06473	2.5
133.10127	0.7
135.04408	1.1
135.05472	0.3
135.08044	2.7
135.55359	0.3
136.05161	0.7
137.02353	0.4
137.05974	16.7
137.09576	0.4
138.03099	0.6
138.06778	2.8
139.03900	14.9
139.07530	6.9
140.04680	5.2
141.05463	5.6
145.06487	1.4
145.10132	0.6
146.07321	0.3
147.04396	1.8
147.08028	2.6
147.11682	0.6
149.02319	1.6
149.05984	1.8
149.07118	1.0
149.09612	0.9
150.06787	0.5
151.04044	2.2
151.07541	73.3
152.04681	23.7
152.07977	1.2
153.01923	1.4
153.05467	22.6
153.08974	1.4
154.02646	0.6
154.06245	21.5
155.03357	1.4
155.07040	3.6
157.06436	0.3
157.10106	0.4
159.04411	0.5
159.08086	1.0
160.05180	0.4
161.05974	3.4
161.09631	1.2
162.06749	1.3
163.03937	2.6
163.07544	4.2
163.11168	0.7
164.04755	0.3
165.05504	1.5
165.09119	8.0
166.06252	4.9
167.03397	11.6
167.05544	0.5
167.07037	23.0
168.04175	100.0
168.07817	6.1
169.04961	16.1
169.06447	0.6
169.08601	7.5
170.05722	0.5
171.08040	0.6
173.06104	0.6
175.07535	3.2
175.11162	0.5
176.08342	1.3
177.05527	3.0
177.09103	9.9
178.06219	0.4
179.07028	4.5
179.10583	0.5
181.05005	0.8
181.08594	9.3
182.05751	6.6
182.09271	0.4
183.06528	26.7
183.09998	2.7
184.07086	0.4
185.09567	0.4
187.07515	1.4
187.11134	0.4
189.09102	1.4
191.07068	2.0
191.10640	4.5
192.07895	0.4
193.08592	10.3
195.06474	0.7
195.10051	0.5
197.08058	2.5
201.09099	0.6
203.10730	0.6
205.08571	1.1
207.10149	8.5
211.07629	0.3
213.09163	0.5
217.08551	0.6
217.12231	0.6
219.10207	0.5
221.11658	0.8
229.04816	0.3
241.08597	0.5
257.08154	0.3
263.10715	0.3
271.06134	0.4
272.06778	0.3
273.07590	0.7
287.09061	1.2
287.19971	0.4
289.21457	0.4
297.11197	0.3
299.09048	0.4
303.08621	1.2
315.19635	0.4
317.10110	0.6
317.21124	0.8
319.22711	0.4
321.24091	1.2
329.21027	0.3
331.22485	0.4
368.48172	0.3
397.27429	0.6
407.25693	0.6
421.23505	1.1
425.26923	2.5
435.25455	2.1
436.25754	0.4
439.28333	0.7
453.26392	10.7
454.27386	1.5
457.30237	1.8
461.28372	0.4
467.27966	5.1
468.28537	0.8
471.27148	0.4
485.29160	19.0
486.29178	0.9
489.27884	1.8
499.30807	2.0
502.29108	2.7
517.32147	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	517.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40453	1.5
65.03963	1.7
67.05505	7.4
69.07077	5.4
71.01273	1.8
74.59641	1.7
79.05494	6.7
81.07063	7.1
83.08613	1.6
85.98886	1.5
88.94942	1.7
91.05477	7.0
93.07059	4.9
93.19799	1.8
95.04981	3.9
95.08613	6.6
105.07023	6.2
107.04955	4.6
107.08597	2.8
108.05744	3.3
109.06518	5.0
119.08617	2.8
121.06520	7.5
121.10161	1.8
123.04385	10.9
123.08067	9.4
124.05218	4.2
125.05989	10.6
133.06480	3.7
133.10138	2.1
135.08028	8.4
136.05159	1.9
137.05991	27.2
137.09621	4.3
139.03920	7.5
139.07536	39.2
140.04652	3.0
141.05502	3.7
147.08066	3.6
149.09650	3.7
151.07538	100.0
152.04691	4.4
153.05463	29.6
153.09116	2.8
154.06252	3.8
159.08041	1.9
161.05992	4.2
161.09619	5.0
163.03915	2.2
163.07532	6.9
165.09114	27.7
166.06299	2.3
167.03403	5.0
167.07047	63.7
168.04187	78.0
169.04973	11.2
175.07553	6.4
175.11115	2.8
177.05524	2.3
177.09123	9.2
179.07040	5.0
181.08580	5.9
182.05795	1.9
183.06563	14.8
187.07578	2.0
189.09090	4.7
191.07054	7.5
191.10696	4.7
193.08540	11.0
203.10815	2.2
207.10153	6.9
224.65973	1.9
248.59549	2.2
255.10069	2.4
354.31512	1.9
397.29367	5.3
425.26834	2.6
435.25208	3.4
450.62833	1.7
453.26166	14.7
455.17966	1.8
457.29102	3.6
467.27850	12.7
485.22223	2.8
485.28976	51.0
499.30533	6.6
517.30426	6.6
517.37189	5.8
535.83264	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05511	22.6
57.03440	6.5
57.07078	32.1
58.07409	6.5
61.02935	3.5
65.03961	2.0
67.05506	74.1
69.03430	2.9
69.07071	27.2
71.05006	2.5
71.08638	6.3
73.02930	2.4
75.04459	1.1
75.46235	1.2
77.03947	1.5
79.05500	23.6
81.03425	2.3
81.07059	100.0
83.05005	3.8
83.08624	20.5
85.02907	1.9
85.06554	1.8
85.10172	2.1
87.04474	3.2
89.05475	1.9
89.06033	31.3
90.06368	7.5
91.03994	1.6
91.05486	19.8
91.06424	2.3
93.07050	31.2
93.10072	1.2
94.07359	2.1
95.04977	3.8
95.08609	70.2
96.08915	1.3
97.02888	3.6
97.06518	6.7
97.10172	13.1
99.08106	4.5
104.10764	3.2
105.07031	11.6
107.08601	17.1
109.10162	37.7
109.10900	2.3
111.08103	4.3
111.11738	3.3
113.09684	1.9
117.07002	1.8
119.08604	12.1
121.06518	11.5
121.10153	20.4
122.06846	5.1
123.07143	1.4
123.08112	1.5
123.11716	16.0
125.09659	1.8
125.13291	1.4
127.11169	1.8
133.08629	17.7
133.10115	15.2
134.08954	5.8
135.11700	10.6
137.09641	1.3
137.13251	9.0
137.85014	1.2
141.12723	2.5
147.08043	2.4
147.11697	9.3
149.00487	1.2
149.09599	1.4
149.13239	9.8
151.11218	1.2
151.14825	6.0
155.14301	3.7
161.13255	11.3
163.14804	7.8
165.09146	6.2
165.12764	1.4
165.16380	7.0
166.09505	3.6
166.54391	1.2
172.37289	1.1
175.14787	10.3
177.11261	3.5
177.16447	2.1
178.11601	2.0
179.14299	1.8
179.17989	6.0
181.15860	1.5
189.16399	5.0
193.15857	2.0
203.18097	1.4
210.12032	2.6
217.19411	1.3
233.19148	3.5
234.19313	2.9
235.19783	1.8
245.22664	46.1
246.22792	1.4
263.23718	52.9
264.24054	1.9
275.20068	1.9
277.21680	4.2
278.22006	3.2
279.22379	4.1
337.27393	47.7
355.28409	3.2
360.20917	3.0
405.23853	2.6
456.00681	1.3
472.33423	3.2
481.22012	1.6
499.32596	3.7
517.25537	17.3
517.38501	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	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01874	1.8
55.05507	25.4
57.03427	5.6
57.07073	10.9
61.02918	2.5
62.33116	1.2
65.03935	4.0
67.05502	93.4
69.03412	3.8
69.07068	24.0
71.04983	2.6
71.08621	7.3
77.03951	1.4
79.05488	28.3
81.03409	1.6
81.07054	100.0
82.12763	1.3
82.83887	1.1
83.04978	3.6
83.08618	21.4
85.02914	2.1
85.06541	2.8
85.10181	2.6
89.06048	1.6
91.05478	20.7
93.07041	30.5
95.04964	4.0
95.08603	77.9
97.06522	7.5
97.10164	11.8
99.08082	4.4
105.07027	17.6
107.08595	21.4
109.06472	1.5
109.10150	38.5
111.08089	3.8
111.11706	4.6
113.09651	3.9
116.08117	1.4
119.08559	12.8
120.65146	1.2
121.06516	1.5
121.10143	22.6
123.08075	1.7
123.11710	22.4
125.09629	2.7
129.17014	1.2
131.08556	2.5
133.10106	17.8
135.11684	13.8
137.09520	2.5
137.13258	8.2
141.12761	3.9
145.10138	2.2
147.11673	11.8
149.13263	13.2
151.11137	2.3
151.14827	6.7
153.05499	1.7
153.12706	1.5
155.08522	1.4
155.14294	4.8
159.11679	1.4
161.13254	16.5
163.14801	11.1
165.12810	1.4
165.16345	8.0
167.14325	2.1
175.14801	11.4
177.16345	3.0
179.06903	1.3
179.14305	2.0
179.17960	5.4
181.15773	1.4
189.16393	5.9
193.15909	1.7
203.17989	2.2
245.22644	54.6
263.23685	72.3
265.25186	2.1
275.20148	1.8
331.50311	1.3
337.27341	34.5
371.25653	2.7
377.70520	1.2
481.31366	1.8
499.32425	4.3
517.35370	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	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05513	58.5
57.07067	3.2
65.03963	1.4
66.92304	1.2
67.05507	9.7
69.07069	8.4
69.20770	7.7
69.74368	1.3
77.03938	1.5
79.05504	11.0
81.07061	20.2
83.04980	100.0
83.08665	2.8
88.98197	1.4
91.05479	14.4
93.07046	38.1
95.04958	4.7
95.08607	26.6
97.06519	3.0
97.10136	1.9
98.23474	2.6
99.08078	2.1
101.06031	2.1
105.07033	20.6
107.08598	41.0
109.06499	2.2
109.10160	19.8
111.08077	1.3
113.09637	7.2
114.79243	1.3
117.07033	4.5
119.08572	19.1
121.06521	5.7
121.10147	36.8
123.08065	7.4
123.11696	5.8
125.09658	2.6
128.06204	2.4
129.06976	6.5
131.08565	12.7
133.06517	1.7
133.10124	10.6
135.08095	1.9
135.11697	34.6
137.09622	7.3
139.11177	4.8
141.07001	4.1
142.07774	3.8
143.08582	17.5
145.06438	2.5
145.10130	12.7
147.08044	2.5
147.11688	8.0
149.09621	3.7
149.13245	3.6
151.07507	3.4
155.08513	10.3
156.09306	4.4
157.10118	17.2
159.11717	9.1
161.09602	2.2
161.13239	5.9
163.11241	10.8
165.06970	2.7
165.09082	2.1
166.06256	1.6
166.07751	3.3
167.07268	2.4
167.08549	11.4
168.04237	3.0
168.09352	1.9
169.10139	6.1
170.10870	2.0
171.08075	2.9
171.11684	12.6
173.09688	2.3
173.13258	10.0
175.11157	3.2
177.12744	5.6
179.08519	3.5
180.09315	3.4
181.08611	2.4
181.10107	19.5
182.10851	1.9
183.11688	10.2
185.09651	3.1
185.13249	15.3
187.11151	3.0
187.14810	2.8
189.12724	5.8
191.14287	2.3
193.10124	1.9
193.12277	1.7
194.10901	4.6
195.11687	17.9
196.12471	1.8
197.13271	5.4
199.11113	2.2
199.14804	10.1
201.12723	4.3
203.14325	6.0
205.12080	1.5
207.11794	1.6
207.13748	3.0
208.12485	2.8
209.13208	15.8
210.13887	1.5
211.14857	3.2
213.12744	6.4
213.16348	4.5
221.13408	1.3
222.14232	1.4
223.14827	15.1
224.15207	1.3
225.16458	6.7
227.14293	9.4
227.17958	2.7
237.16335	7.0
239.17957	4.8
241.15843	5.1
241.19533	5.8
243.17249	2.5
245.15381	5.3
255.17398	4.4
255.21046	16.0
257.19052	13.7
265.19516	46.7
273.22101	3.6
283.20557	99.2
284.20972	3.5
301.21616	61.5
302.21884	2.8
365.24725	2.6
372.64819	1.3
383.25916	6.4
401.26880	6.4
517.35974	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	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03968	1.5
55.01859	1.4
55.05509	11.3
57.03435	3.9
57.07067	2.4
65.03951	2.2
67.05506	26.7
69.07079	10.4
71.05006	1.9
71.09750	1.4
79.05492	20.4
81.07054	31.0
81.07499	2.0
83.04981	1.4
83.08613	7.9
87.16229	1.0
88.76100	1.2
89.06024	1.4
91.05476	18.5
93.07040	26.8
95.04975	4.8
95.08603	26.9
97.06562	2.5
97.10166	3.6
99.08090	1.3
105.03445	1.1
105.04513	1.7
105.07029	18.9
107.08592	16.6
109.06517	2.4
109.10165	10.5
111.08044	2.1
117.07003	6.4
119.08580	22.0
121.06499	1.6
121.10146	13.7
123.04419	7.6
123.11730	4.0
125.06005	2.2
129.06992	3.2
131.08575	14.6
133.08633	1.5
133.10130	16.0
135.08023	1.1
135.11671	7.1
137.06001	4.8
138.06313	2.0
139.03885	2.8
140.04697	2.1
143.08588	4.2
145.10133	14.3
147.08086	1.7
147.11679	8.8
149.13254	6.3
149.32642	1.1
151.07562	3.8
152.04707	1.5
153.05504	6.4
155.07025	1.9
155.08568	1.0
157.10139	5.8
159.11699	9.5
161.13287	4.2
163.11119	1.2
163.14885	1.9
165.09200	1.4
167.03439	3.7
167.07085	2.4
168.04156	15.5
169.05023	2.5
169.10112	1.2
171.11659	5.2
173.13243	7.5
175.14867	3.8
177.09155	1.9
179.07149	1.2
181.08701	2.1
182.05785	4.1
183.06546	12.2
183.11740	1.6
185.11842	1.4
185.13367	3.8
187.14835	4.9
189.16435	1.9
193.08655	1.2
196.07182	1.1
197.08179	2.0
197.13280	1.5
199.14819	3.1
201.16373	1.8
213.14832	1.4
213.16592	1.6
217.15767	1.2
227.18144	1.5
241.17917	2.4
245.19000	1.3
259.20605	3.5
261.10156	1.1
273.22150	1.5
285.22034	1.3
287.23813	1.6
301.25235	1.3
312.30011	1.3
313.25104	1.3
315.23346	1.1
319.26315	1.2
327.26736	1.6
333.24390	2.0
407.33316	3.9
425.34119	8.6
433.29269	1.5
443.35342	3.9
453.22290	1.3
457.26038	1.1
475.33936	1.2
485.25516	2.8
489.28906	3.2
499.38171	10.5
517.26691	4.0
517.38849	100.0
518.39246	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	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45652	1.7
53.03932	2.8
57.03440	2.8
61.02911	3.3
68.99786	1.9
69.03426	9.2
81.03417	7.5
81.07058	4.7
85.02906	20.2
87.00819	7.8
91.05504	2.3
93.07032	2.9
97.02886	8.2
99.04453	4.2
105.01888	7.9
108.68004	2.0
109.02878	7.2
119.08597	3.0
121.06504	3.3
123.08040	2.8
127.03898	13.0
145.04982	5.0
145.06485	2.4
147.02782	1.8
151.07541	100.0
159.02870	4.0
175.07561	24.2
189.09047	3.2
189.16434	6.0
203.17909	3.4
217.08688	4.9
231.04948	2.9
235.16924	56.6
253.17989	10.0
259.16934	13.8
277.18082	5.4
301.18002	17.3
319.19052	2.8
325.17883	4.5
343.18930	6.6
386.30640	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	518.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01866	1.5
55.05502	2.4
57.03429	1.3
61.02921	1.9
67.05496	0.5
68.99780	2.0
69.03426	5.0
69.07056	0.7
69.11478	0.4
71.04983	1.0
73.02909	1.3
79.05475	1.1
81.03413	5.5
81.07057	1.6
83.01353	0.5
85.02406	0.8
85.02906	13.8
87.00827	6.6
91.05479	1.7
93.06998	0.9
95.04986	1.0
95.08610	1.6
96.01364	0.4
97.02895	6.9
99.04441	2.6
103.03933	0.6
105.01872	4.3
105.07039	0.9
107.08611	1.1
108.05726	0.5
109.02878	3.9
109.06608	0.5
109.10146	0.4
111.04421	0.4
113.09665	0.5
117.01880	1.0
119.08566	1.1
119.83429	0.5
121.06516	1.8
122.40888	0.5
123.08059	1.2
127.03914	8.3
129.01833	1.8
131.08585	0.6
132.05635	0.4
133.10143	0.6
135.08060	0.8
136.05286	0.6
139.07553	1.0
145.04926	3.5
145.06480	1.0
147.02867	1.5
147.08031	0.6
149.07133	0.5
151.07536	100.0
152.07898	1.4
157.10059	0.5
159.02966	2.6
161.09621	1.1
161.13152	0.5
165.09138	1.6
174.06750	0.5
175.07532	12.0
175.11096	0.7
177.09158	1.6
188.08328	1.2
189.03886	0.6
189.09084	3.2
189.16374	1.9
191.10701	1.5
193.08623	3.2
201.09087	1.8
203.10695	1.0
213.03935	0.5
215.10730	0.6
217.08598	6.7
217.12183	0.6
217.15836	0.9
231.05037	1.7
231.17426	0.5
233.15433	0.9
235.16924	52.8
236.17224	0.9
241.08530	0.8
242.88371	0.4
243.10396	0.4
245.15004	0.5
253.17937	3.2
257.15295	0.9
259.09641	1.5
259.16895	10.2
263.16440	0.6
271.16925	0.6
273.18530	1.2
275.16513	0.4
277.17963	10.9
278.18127	0.4
283.17191	0.6
297.18555	0.4
301.17938	9.8
319.18936	0.9
325.17963	4.4
343.19049	6.8
363.10797	1.1
429.18982	1.0
447.19873	2.3
465.20978	0.8
483.21921	0.4
518.24719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
54.97708	1.0
55.01873	9.3
55.05511	3.8
57.03435	7.2
57.07065	2.1
59.04995	2.3
61.02924	6.8
66.92403	1.1
67.05504	5.5
68.54207	1.0
68.99789	4.1
69.03429	38.1
69.07065	9.2
71.04993	6.8
73.02912	7.6
79.05504	5.2
81.02961	2.2
81.03415	33.2
81.03886	1.8
81.07060	16.3
83.04989	2.1
83.08624	2.6
85.02904	100.0
85.06531	1.9
87.00830	35.7
91.03959	1.8
91.05474	9.6
92.87568	1.2
93.07034	12.9
95.04974	4.6
95.08601	19.7
97.02891	39.8
97.06514	5.0
97.10184	1.3
99.04449	15.8
105.01864	50.7
105.07029	19.9
107.04253	2.2
107.04953	37.1
107.08592	21.3
109.02876	32.4
109.06515	4.1
109.10161	9.5
111.08092	2.2
111.32310	1.1
115.03956	1.6
117.01850	4.4
117.06997	1.9
119.08578	27.1
121.06513	3.1
121.10139	13.8
123.04413	8.1
123.08080	4.1
123.11707	4.5
124.04805	2.2
125.09669	2.3
127.03912	68.9
129.01830	5.2
129.07004	2.0
131.08530	6.2
133.10124	26.9
135.08066	1.7
135.11679	6.8
137.09584	3.6
139.03902	4.5
140.04266	2.3
142.07845	2.0
143.08531	5.0
145.04958	31.8
145.10107	6.2
147.02858	3.1
147.08049	2.6
147.11673	13.5
149.13263	5.2
151.11198	3.6
153.09137	1.5
157.10117	7.2
159.02908	17.8
159.11711	10.2
161.09625	7.2
161.13260	8.6
163.11177	2.2
163.14703	1.3
165.09081	1.8
171.11708	3.0
173.13225	6.6
175.11224	5.1
175.14816	31.8
177.12781	4.9
179.10680	8.2
179.14288	14.4
187.06026	2.7
189.03893	1.4
189.16373	30.4
191.14322	3.7
199.14844	9.6
205.07047	9.5
207.17448	9.8
213.03856	3.3
217.15872	59.2
231.04994	21.5
235.16925	50.4
236.17200	1.5
249.06151	6.4
253.17969	13.1
257.91452	1.2
307.15610	1.2
321.20682	1.2
325.16891	1.1
355.66803	1.2
437.21622	1.4
455.22751	1.3
465.21405	2.5
518.30109	2.4
519.22418	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	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72994	1.8
53.03944	5.4
55.01867	2.4
55.05509	7.4
57.03437	3.1
57.07082	2.8
58.34471	1.8
61.02923	2.7
67.05498	18.0
68.99789	2.2
69.03437	13.7
69.07069	7.5
70.65035	2.7
70.65386	2.2
71.04999	4.9
73.02914	2.7
73.06554	1.6
79.05492	16.3
81.03419	9.2
81.07057	100.0
82.81408	1.7
83.08595	2.2
85.02899	49.7
85.71873	2.0
87.00838	17.7
91.05471	14.7
93.07040	24.5
93.85561	1.9
95.04971	3.6
95.08604	43.6
97.02885	17.2
97.06532	4.7
97.10165	4.4
99.04464	6.7
105.01865	47.2
105.07031	43.5
107.08583	34.7
109.02875	14.9
109.06506	4.1
109.10149	17.5
111.63914	1.7
113.06040	1.9
117.06995	2.6
119.08583	52.2
121.06484	1.9
121.10155	16.7
121.48935	1.8
123.08095	2.9
123.11709	22.8
125.09631	1.9
127.03905	34.8
131.08549	4.8
133.10133	41.0
135.08055	3.8
135.11679	20.0
135.89890	2.1
137.09566	2.7
143.08554	6.8
145.04956	16.6
145.10143	3.3
147.08031	2.7
147.11652	15.9
149.13269	1.7
153.09105	5.3
157.10144	7.1
159.02899	3.1
159.11644	10.2
161.09613	6.2
161.13272	43.5
173.13275	2.5
175.11211	5.6
175.14821	2.7
177.12769	1.9
179.10622	9.5
189.16373	75.3
199.14796	3.2
207.17441	2.1
217.15858	28.1
231.04979	14.7
235.16930	53.2
249.05984	17.1
252.19606	1.9
264.83615	1.8
284.09793	2.5
325.18069	3.6
361.19992	2.2
395.23871	1.8
435.08640	1.9
447.19989	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	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43790	0.3
55.05501	0.9
56.05031	1.5
58.06598	1.1
60.08164	16.9
60.77518	0.3
66.29465	0.3
67.05504	3.1
69.07063	1.1
70.51100	0.6
71.07372	7.0
73.67228	0.3
79.05511	2.3
81.07054	1.8
82.63341	0.3
83.08616	0.4
84.68788	0.3
86.09705	51.2
91.05477	0.8
91.14581	0.3
91.15147	0.3
93.07053	2.0
95.04980	0.4
95.08091	0.3
95.08569	1.7
98.98458	3.0
104.10742	100.0
105.07025	0.4
105.11071	0.7
107.08584	1.0
109.10175	0.4
121.10138	0.5
125.00004	27.5
163.01532	0.7
173.56581	0.4
184.07339	98.3
185.07765	0.4
194.12900	0.4
208.35201	0.3
258.11057	1.2
335.25711	0.7
436.47607	0.4
500.31396	7.7
518.32428	35.1
519.32806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47280	0.1
54.78233	0.1
55.05504	0.1
56.05034	0.6
57.83698	0.1
58.06633	0.5
59.07418	0.2
60.08164	6.2
67.05507	0.6
70.06580	0.2
71.07370	2.7
74.43411	0.1
79.05503	0.5
81.07071	0.5
86.09704	30.0
87.10028	0.2
93.07047	0.3
95.08625	0.4
98.98461	2.9
102.00303	0.1
104.10747	2.5
106.42731	0.1
122.81895	0.1
123.69798	0.1
124.99998	21.1
136.07893	0.1
184.07335	100.0
185.07663	0.6
258.11047	0.3
290.30197	0.2
335.25754	0.2
500.31232	1.1
518.32306	2.1
519.32727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05508	5.6
56.05058	1.1
57.03442	2.2
57.07070	1.1
57.88847	0.9
60.08167	7.4
61.02931	2.9
65.03951	1.9
67.05503	30.0
69.07077	4.5
69.85828	2.6
71.07380	3.2
79.05488	20.4
81.07052	33.9
83.05001	1.2
83.08618	2.8
85.02912	2.2
85.06517	1.2
86.09702	30.9
91.05479	9.2
93.07032	24.0
95.04942	1.9
95.08602	30.9
95.09218	1.6
97.02848	1.0
97.06538	1.7
97.10175	1.4
98.23359	1.4
98.98471	2.7
99.08073	1.4
104.10760	3.4
105.04506	1.0
105.07018	9.6
105.07648	1.1
107.08584	17.2
109.06545	1.3
109.10157	17.6
117.07016	3.6
119.08562	8.5
121.10140	16.7
123.11690	6.1
124.99997	21.9
125.00831	1.6
125.09626	0.9
131.08556	9.2
133.10127	7.4
135.11679	16.8
137.13264	1.5
139.11192	1.8
145.10144	7.9
147.11693	7.2
149.13261	9.9
151.11128	1.4
153.12766	1.0
159.11711	8.6
161.13260	2.8
163.14836	3.8
165.12814	1.3
173.13223	6.6
175.14809	1.0
184.07333	100.0
187.14761	2.4
200.20110	1.1
201.16402	1.0
219.21106	1.7
229.19485	18.0
247.20570	46.0
257.26636	1.0
265.21649	2.3
279.83630	0.9
280.65463	0.9
303.23175	1.0
321.24182	15.1
339.25256	16.0
377.13675	1.6
483.29440	1.1
514.07819	0.9
518.32855	2.6
518.41608	1.0
519.28687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20977	0.7
55.05505	2.1
57.07077	1.0
65.03930	1.3
67.05506	3.4
68.99786	0.9
69.07067	1.3
69.25515	3.2
71.99422	0.7
79.05485	2.0
81.07053	2.8
82.07420	0.6
83.04937	1.0
91.05469	2.3
95.04966	2.7
95.08632	2.1
97.06519	2.3
105.07029	1.6
107.04976	1.5
109.06512	2.6
110.03666	1.4
111.04436	3.3
117.07012	1.3
119.05003	0.7
119.08546	0.8
121.06524	4.4
123.04432	10.2
123.08078	1.0
125.05988	60.1
126.03085	1.0
131.04941	0.8
133.06496	2.5
133.10133	1.9
134.10442	1.2
135.08037	2.4
137.05978	25.1
139.03868	5.3
139.07510	3.0
140.04654	1.4
141.05492	1.7
145.06464	0.9
147.04425	0.8
147.08037	1.3
149.05969	4.7
149.09557	0.9
151.07542	10.2
152.04733	1.0
153.05463	100.0
154.05887	1.4
161.05972	5.3
161.09650	0.8
163.07542	17.8
165.05499	1.3
167.07053	7.4
175.07568	1.8
177.09096	13.6
179.06982	5.4
191.10672	1.9
193.08606	3.2
273.07593	1.1
275.09113	0.7
315.23126	2.6
321.24255	1.1
333.24182	5.0
405.24072	0.8
423.25146	3.3
437.26913	5.1
441.26373	31.8
442.26456	1.0
455.27921	28.4
456.28003	1.0
473.28961	50.0
474.29074	2.6
489.24808	0.7
518.25751	2.3
519.27051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49133	1.5
58.27860	1.6
67.05504	3.8
69.07057	3.1
69.43650	4.2
69.44035	3.2
79.05537	2.2
80.15873	1.6
81.07035	4.2
83.08611	3.1
91.05460	2.7
95.08607	2.6
97.06532	2.9
107.04921	2.3
109.06526	2.0
111.04434	2.2
121.06516	3.3
122.67347	1.7
123.04430	10.6
125.05991	57.3
126.06226	1.6
135.08035	2.2
137.05968	24.3
138.06302	2.0
138.17271	1.7
139.03934	5.5
139.07529	3.9
141.05476	1.9
147.08078	2.6
149.05986	5.7
151.07544	17.2
153.05467	100.0
161.05998	5.5
162.06755	1.8
163.07552	18.9
163.51523	1.8
165.09174	2.1
166.75317	2.0
167.07033	7.4
171.77179	1.7
175.07605	2.1
177.09119	22.7
179.06918	3.9
182.03389	1.8
191.10663	5.6
193.08597	4.9
198.95963	1.7
333.24243	3.3
423.25067	3.6
437.26819	5.2
441.26364	27.2
445.18973	1.7
455.27942	24.7
469.29370	8.0
473.22531	3.3
473.28967	45.7
474.29919	2.8
483.30496	3.4
518.37201	4.7
519.27020	10.5
530.41693	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
57.07064	0.6
57.90799	0.5
64.31236	0.4
65.03925	1.2
67.05507	4.0
68.99806	0.7
69.03402	0.6
69.07055	1.0
69.25746	3.0
69.95511	0.6
79.05489	2.8
81.07059	2.9
86.09718	0.7
91.05485	2.3
93.07029	2.0
95.04972	1.9
95.08607	2.2
97.06523	1.6
103.05463	2.3
104.10740	3.0
105.04485	0.5
105.07024	1.7
107.04958	6.2
107.08659	0.6
109.06514	1.4
109.10152	0.7
110.03651	1.1
111.04422	0.9
117.07024	1.9
119.04952	0.9
119.08551	0.6
121.06509	5.0
121.10046	0.5
123.04403	4.2
123.08121	1.1
125.05991	33.4
131.04922	0.9
133.06488	1.7
135.04424	0.7
135.08052	4.6
137.05980	24.3
138.33810	0.5
139.03899	2.0
139.07544	1.8
145.06493	0.9
147.04451	0.4
147.08012	1.4
148.05191	0.9
149.05960	3.8
149.06966	0.5
149.09634	1.9
151.07547	19.0
153.05464	39.9
161.05991	1.9
161.09523	0.5
162.06763	1.2
163.07541	79.1
164.07898	1.3
165.09131	1.0
167.06979	1.0
175.07568	2.2
177.09106	31.5
178.09515	0.7
179.07076	4.8
189.09177	1.7
191.10684	4.8
192.44397	0.5
193.08597	4.5
257.08044	1.7
271.09711	0.9
303.23111	0.9
315.23230	3.4
317.21286	1.0
331.22855	0.6
340.79562	0.5
405.24521	0.6
409.27710	0.6
423.25232	2.7
437.26831	6.3
455.27917	100.0
456.28366	4.9
459.24759	1.5
469.29416	1.5
483.00232	0.7
518.25238	0.8
518.32147	1.1
519.27039	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	518.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	7.8
68.93003	4.3
68.99795	4.6
69.22522	29.9
71.51708	4.1
75.16657	5.4
76.25423	4.8
79.05485	9.5
81.07078	7.5
91.05484	6.1
95.05002	5.9
98.23533	9.4
103.05459	6.6
107.04928	8.3
109.06548	5.8
112.72821	4.8
121.06458	8.3
125.05989	40.7
137.06007	35.7
151.07556	38.3
153.05447	55.8
163.07532	90.6
177.09113	64.8
179.07074	5.3
182.44772	4.4
189.09029	4.7
190.21422	4.6
191.10759	8.4
193.08713	5.2
195.46524	4.8
198.09509	5.7
256.59747	4.5
444.30887	5.1
465.30258	7.9
477.22156	14.4
483.31152	100.0
518.26056	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	518.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	84.4
77.03926	1.3
79.05495	1.9
81.07079	1.5
87.04469	8.9
89.06034	100.0
91.05487	10.4
93.07043	9.4
95.04956	2.2
95.08604	1.5
99.11758	2.8
103.05487	3.1
105.07057	2.9
107.04973	3.1
107.07133	1.6
107.08612	3.3
117.07014	1.8
118.07838	4.1
118.59316	1.2
119.04941	4.4
119.08606	6.0
121.05623	1.9
121.06508	39.2
123.08047	1.8
130.08615	1.7
131.07057	2.4
133.08603	62.6
135.08063	9.9
135.11676	3.4
146.98212	2.6
147.08038	11.5
149.09641	3.3
150.06810	2.5
163.11276	6.6
163.12469	1.2
165.09105	16.3
177.11221	21.0
191.10693	4.4
209.11726	9.7
211.13365	3.9
219.17453	22.5
219.50726	1.4
221.13853	4.9
235.13385	3.3
245.18997	3.1
253.14264	1.5
263.20068	31.1
289.21762	2.1
291.50641	1.3
307.22647	13.8
315.17801	6.4
344.62332	1.4
359.20642	2.6
359.91434	1.2
403.23273	23.5
413.29190	1.4
457.31320	1.9
501.34271	41.3
502.34241	2.0
518.25958	3.3
518.36932	4.5
519.27130	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	518.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.2
55.24746	0.3
59.57920	0.3
67.05505	2.5
69.07064	2.1
69.59804	0.6
69.60194	0.6
70.38422	0.3
81.07066	1.7
83.04997	0.5
83.08627	1.8
86.06050	0.3
87.04467	0.9
91.05495	0.6
93.07024	0.6
95.08614	3.4
97.10167	0.8
98.22737	0.4
98.23312	0.7
104.07093	1.0
104.10744	0.5
104.54232	0.3
105.07011	0.8
109.10162	0.6
109.93965	0.3
111.11803	0.3
123.08071	6.2
123.11717	0.4
135.08063	0.4
137.05983	4.3
137.85463	0.3
139.07523	0.5
151.07538	100.0
152.07869	1.2
159.08083	0.4
163.07529	1.4
165.09140	0.7
177.07547	0.5
177.09097	6.8
185.40649	0.3
191.10667	4.7
205.12288	0.7
219.13846	1.9
221.15344	3.2
247.16914	0.7
261.18503	0.8
265.65063	0.3
275.20111	0.5
303.23102	0.5
345.27887	13.1
346.28067	0.5
415.35693	29.7
416.36017	1.1
459.25296	0.5
519.26526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14795	1.0
55.05505	2.2
56.96553	1.0
69.03416	1.1
70.59933	1.0
74.71770	0.9
79.05453	1.1
81.07045	1.5
82.10664	0.8
83.08594	1.6
85.02914	2.3
91.05483	1.0
92.39045	0.9
93.07014	2.1
95.08585	1.4
97.02882	1.9
98.97597	2.7
100.11266	7.4
100.78314	0.9
105.07076	1.3
117.61236	1.0
119.08562	1.8
119.13006	0.9
121.10159	1.1
123.04443	1.3
127.03934	2.3
133.10127	2.0
139.03947	1.2
145.10146	1.0
149.09677	1.3
163.91673	1.0
177.11153	1.1
182.15454	1.0
209.16501	1.1
210.14902	1.3
235.16856	2.4
236.17325	1.4
275.21234	1.3
289.11102	2.6
299.06012	1.2
315.53137	1.0
331.12027	1.2
433.15430	5.7
451.16193	1.8
475.17130	11.7
518.39709	1.4
519.16272	100.0
519.38861	7.9
520.16541	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	519.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73560	0.3
53.43825	0.3
67.05497	0.6
69.03422	0.8
69.24642	1.9
70.85295	0.3
71.04980	0.3
81.03413	0.9
81.07061	0.7
85.02904	1.5
87.00833	0.6
93.07045	1.7
95.08596	0.6
97.02906	0.4
99.04440	0.3
105.01878	0.6
105.07022	1.0
107.08580	0.5
109.02859	0.5
109.10155	0.5
116.46445	0.3
119.08562	0.8
121.10149	0.8
127.03929	0.7
128.23991	0.3
133.10112	0.5
145.10129	0.8
147.11697	0.4
159.02884	0.4
173.13219	0.5
190.02338	3.0
191.03166	1.3
201.16359	1.0
218.16170	0.6
219.17363	0.6
229.88702	0.4
237.11252	1.4
237.18539	0.6
255.12207	0.3
299.05933	0.4
336.39243	0.4
351.14145	4.0
371.24188	0.4
429.85986	0.4
519.18298	100.0
520.18732	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	519.2206
Annotation	Ala His Tyr Glu
Peak:m/z	Relative Intensity
55.05490	0.6
66.87753	0.7
67.05494	0.9
69.03414	1.3
70.46716	1.4
81.03415	1.2
81.07096	1.5
85.02909	2.5
87.00831	1.4
91.05471	1.1
93.07064	1.5
95.08612	1.1
96.90567	0.6
97.02892	1.0
99.08076	0.8
105.01870	1.8
105.07064	1.5
107.04984	0.8
107.08581	1.5
109.10204	0.9
119.08512	1.3
121.10162	1.2
123.04443	1.2
127.03873	0.7
133.10181	1.4
148.04752	0.9
154.03767	0.6
157.10123	0.6
165.05646	0.6
169.60760	0.7
219.17444	0.7
235.13486	0.6
235.16916	0.7
236.17305	1.3
292.01282	0.7
519.22064	100.0
520.22308	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	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63489	0.3
67.75975	0.3
69.50066	0.8
75.43003	0.3
77.36042	0.3
86.33035	0.3
92.84676	0.3
110.21851	0.3
145.10147	0.3
161.83777	0.3
173.09625	0.3
212.27400	0.3
218.79536	0.4
259.08142	0.3
309.57828	0.3
357.18765	3.6
357.22754	0.4
459.22034	0.8
462.19601	0.3
487.21484	1.2
501.23572	0.4
519.24121	100.0
520.24500	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	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70795	0.2
51.89329	0.2
53.83743	0.2
69.25639	1.1
71.08773	0.2
72.90184	0.2
74.69476	0.3
163.01039	0.2
163.02629	0.2
203.05312	0.7
259.07874	1.3
283.15259	0.4
300.41571	0.2
345.13034	0.3
357.18851	3.4
459.22156	0.6
469.20444	0.4
487.21390	1.0
501.23181	0.5
519.24109	100.0
520.24554	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	519.272
Annotation	Trp Trp Lys
Peak:m/z	Relative Intensity
89.30043	0.2
98.22614	0.5
104.10735	0.7
117.69711	0.3
125.05936	0.3
137.05951	0.5
147.47723	0.3
151.07578	0.3
153.05496	0.4
154.05757	0.3
163.07579	0.4
164.07912	0.5
202.26527	0.3
390.54492	0.3
456.28531	1.1
460.25067	0.4
519.27161	100.0
520.27374	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	519.272
Annotation	Unknow
Peak:m/z	Relative Intensity
80.94873	0.7
81.07053	0.9
83.85378	0.8
104.10744	0.9
118.43649	0.7
119.08565	0.8
120.34639	0.9
183.68536	0.7
226.81294	0.8
292.02658	0.8
429.82648	0.9
488.15262	0.8
519.27161	100.0
520.27588	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	519.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.6
55.19341	1.4
67.05513	4.3
69.07075	3.7
69.21983	7.6
79.05477	1.6
81.07060	5.9
83.08620	2.9
84.04498	12.3
86.09683	1.6
86.80363	1.2
87.04475	1.3
95.08601	7.8
97.10186	2.7
98.22846	5.0
98.23531	2.2
104.07110	2.2
104.10754	2.2
105.06987	1.5
109.06533	4.7
109.10156	3.1
121.06529	2.2
123.04433	1.7
123.08071	6.9
123.97078	1.3
130.04977	17.5
130.05862	1.4
137.05974	65.9
143.53253	1.3
147.07639	28.5
149.06003	2.9
150.53224	1.5
151.07533	100.0
154.06267	1.3
163.07558	18.5
177.09096	26.1
181.08580	1.6
191.10664	12.2
193.12379	1.5
193.47159	1.3
202.34135	1.4
205.12305	5.6
207.13860	6.4
219.13818	3.9
221.15413	5.5
223.85158	1.7
233.15506	2.0
247.16933	3.2
303.23221	11.3
317.24710	19.1
373.30988	29.0
387.32550	35.1
417.29932	2.1
439.55203	1.4
460.24875	1.8
519.26538	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	519.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26578	0.5
55.05513	7.9
56.05021	0.7
57.07080	0.8
66.49902	0.6
67.05497	2.9
69.07070	4.9
69.62291	1.4
79.05481	1.3
81.07054	4.5
83.01327	1.3
83.04981	1.2
83.08610	3.3
84.04503	16.3
91.05488	1.6
93.07040	0.7
95.04949	0.6
95.08604	3.5
97.10162	1.9
97.13667	0.5
98.23013	1.9
101.07120	1.6
105.49603	0.6
108.51945	0.6
109.06511	1.9
109.10180	1.7
121.06544	0.8
121.10222	0.6
123.04455	3.0
123.08060	1.3
123.11729	0.8
125.05983	0.8
130.05000	26.3
135.04408	1.5
135.08141	0.7
135.68855	0.6
135.95096	0.6
137.05974	100.0
138.06296	1.0
147.07642	33.5
149.05956	2.8
149.09633	1.6
151.07544	17.2
152.07870	5.4
154.06201	0.8
163.07538	17.2
165.09126	1.0
167.06944	0.6
177.09097	31.0
177.95811	0.5
178.09401	0.7
184.07257	0.9
191.10640	8.4
193.12236	1.1
205.12234	8.8
207.13760	2.7
219.13821	0.8
221.15416	0.9
223.61255	0.6
233.15393	0.8
238.66385	0.6
247.16922	1.2
261.18430	0.8
283.20700	0.8
285.22116	0.7
303.23166	34.5
304.23611	1.2
337.78815	0.7
346.28354	1.6
349.20468	0.7
373.30984	30.9
374.31439	0.9
416.35919	4.6
519.15466	0.8
519.27161	4.0
520.80463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53007	1.3
53.03939	4.3
53.58054	1.2
55.01869	5.4
55.05508	2.8
57.03445	13.4
61.02936	7.0
65.03934	3.3
67.05495	5.6
68.99783	4.3
69.03068	2.3
69.03429	41.7
70.26332	1.3
70.46049	1.2
71.01351	3.7
71.05001	6.3
71.44505	1.5
73.02914	22.4
79.05501	3.6
81.03422	23.4
81.07079	6.5
83.04977	3.2
85.02905	100.0
87.00832	32.5
87.04455	2.2
91.05475	5.1
93.07056	7.4
95.04958	4.0
95.08618	6.7
97.02892	44.9
99.04447	9.9
101.02415	2.3
103.03956	8.2
105.01867	63.7
105.04523	1.4
105.07021	17.6
107.08596	8.8
109.02168	2.6
109.02876	27.5
109.10136	4.0
111.04443	4.3
115.03903	9.1
117.01861	1.6
117.07031	2.7
119.08559	6.7
121.10136	4.1
122.02688	3.8
123.04416	4.2
125.02332	4.5
127.03915	81.1
129.01828	5.6
129.07030	1.5
131.04941	1.5
131.08549	11.8
132.06569	2.1
133.04942	1.8
133.10146	4.0
135.11691	3.3
137.05966	3.6
138.03140	1.7
139.03871	6.3
143.08601	1.9
145.04964	25.3
145.10118	14.8
147.02867	3.6
147.04335	1.3
147.06491	1.5
147.11681	2.9
150.07597	5.8
151.03909	5.2
153.05440	1.8
159.02908	7.3
159.11710	8.1
161.13246	4.3
163.03922	4.2
169.05034	3.3
171.02907	1.6
171.06525	2.2
173.13280	4.1
177.05434	3.0
181.04956	36.7
182.05252	1.5
189.03928	18.8
191.10709	3.4
191.17934	1.7
193.04968	1.7
197.39848	1.4
199.06038	3.8
201.16400	31.2
203.17917	6.0
205.04990	3.5
213.03937	10.2
213.09076	6.2
217.07112	3.3
219.17433	19.7
223.05934	6.5
231.04985	33.4
231.10051	3.4
233.06676	1.9
237.11186	1.4
237.18509	5.1
241.07088	11.8
249.06035	14.4
261.11417	1.4
273.06073	13.5
287.05579	2.4
309.06015	2.2
322.18268	5.8
327.07178	4.4
335.11188	4.8
340.19485	7.2
345.08191	3.1
346.81555	1.3
353.12149	3.1
363.09247	6.0
388.15994	1.9
460.76367	1.4
487.56924	1.3
520.25122	6.4
521.21906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01865	5.7
55.05511	1.9
57.03440	13.8
61.02919	7.5
65.03947	2.3
67.05504	4.0
68.99785	4.6
69.03430	40.7
69.07075	3.1
70.48415	3.5
71.01343	1.9
71.04980	5.0
73.02918	24.8
79.05484	4.1
81.03410	23.6
81.07063	8.1
83.04980	5.5
83.32794	1.5
85.02906	100.0
87.00829	32.7
87.01324	2.5
87.04487	2.1
87.36863	1.7
91.05480	6.2
93.07047	6.2
95.04974	3.8
95.08602	11.5
97.02895	50.6
99.04462	12.4
103.03949	8.0
103.73643	1.7
105.01160	3.7
105.01865	67.6
105.07024	19.8
107.08588	11.0
109.02878	29.1
109.10170	4.6
110.03655	2.4
111.04460	3.5
115.03946	9.0
117.07032	2.2
119.08618	8.2
121.10151	6.6
122.02699	3.2
123.04430	5.2
124.03961	2.3
125.02344	5.0
125.06046	2.7
127.03915	83.4
129.01831	6.6
131.04913	2.3
131.08580	9.9
133.10139	4.6
135.04405	2.7
135.11725	4.9
137.05980	4.5
139.03883	7.2
143.08611	2.1
145.04968	23.6
145.10132	19.0
147.02849	4.9
147.04196	1.7
150.07620	6.2
151.03889	6.0
153.05511	2.3
153.12732	2.3
159.02870	8.1
159.11694	8.1
161.13269	5.7
163.03902	5.8
163.07497	2.8
165.05496	2.0
169.05029	4.3
171.02849	2.1
171.11618	1.9
173.13249	5.4
181.04967	41.8
187.06120	1.9
189.03894	15.1
191.17976	2.9
196.58311	1.9
199.06003	4.8
201.16389	36.6
203.17953	6.4
209.11696	2.0
213.03906	10.1
213.05621	1.7
213.09100	5.4
217.07054	2.9
219.17442	18.6
223.05995	10.3
231.04997	37.5
231.10074	3.3
237.18469	6.8
240.04762	1.7
241.07100	11.4
249.06056	14.4
255.12071	1.7
273.06067	16.6
285.18613	1.8
287.05527	2.9
309.05908	3.6
322.18307	9.5
327.07034	6.0
335.11295	6.4
340.19330	6.4
345.07990	3.2
353.12262	2.0
363.09125	7.7
431.35806	1.7
520.24738	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	520.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
57.07075	36.4
61.02909	0.6
64.20649	0.4
67.05499	0.9
68.11196	0.4
69.03413	1.8
69.07053	0.8
69.32377	1.5
69.32787	0.8
71.04992	0.8
73.02914	3.6
79.05494	0.8
80.24786	0.4
81.03426	0.6
81.07062	0.8
85.02902	4.7
85.06542	27.5
87.00840	0.7
91.05470	1.2
93.07029	1.8
95.08598	0.8
97.02869	2.4
105.01841	0.6
105.07035	1.9
107.08569	1.6
109.02856	0.8
109.10174	1.1
115.03934	0.7
119.08582	1.2
121.06476	0.6
121.10137	1.4
125.05985	0.8
125.09644	0.5
127.03916	1.6
130.30721	0.5
131.08575	1.1
133.10112	1.1
135.11696	0.5
145.04893	1.1
145.10104	1.6
145.11957	0.4
151.03864	0.6
159.11673	1.2
161.13268	0.8
163.11185	0.7
191.10625	0.9
193.08588	0.6
201.16476	2.3
205.08638	1.4
209.11720	100.0
210.12029	1.8
219.17401	3.2
229.08276	0.5
237.18500	1.3
257.75806	0.4
276.72958	0.4
310.39706	0.4
444.23669	0.5
521.19666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01860	1.9
55.05509	5.3
57.03442	3.3
57.07084	3.5
57.32652	1.0
58.99577	1.3
61.02925	3.8
65.03935	1.5
67.05505	16.3
69.03432	17.9
69.07069	10.9
69.21007	4.0
69.21407	2.7
71.04979	2.0
76.02223	3.3
77.03936	1.9
79.05479	14.7
81.03429	3.7
81.07060	25.6
83.04987	1.5
83.08647	2.5
85.02906	22.6
85.06543	2.1
86.00665	2.5
86.99055	2.1
87.00832	2.1
88.02203	6.3
88.04000	5.1
91.05478	23.8
93.07043	35.5
95.04990	2.7
95.08602	33.5
95.09216	1.7
97.02885	8.6
97.10181	1.6
99.02679	1.4
99.04449	2.5
105.00086	1.7
105.01862	10.4
105.07024	36.9
107.08591	35.3
109.02869	3.4
109.06512	2.0
109.10150	17.1
111.02689	2.1
111.08131	2.4
111.11687	1.6
111.97191	1.1
115.05442	1.5
116.06244	2.4
117.07014	22.7
119.08575	32.4
120.16449	1.2
121.10135	24.6
122.02720	11.9
123.04417	3.0
123.08078	2.2
123.11736	3.9
125.04176	1.7
125.09623	6.3
127.03920	7.6
129.07004	6.1
130.07788	4.1
131.08563	38.7
132.01154	6.1
133.04985	1.6
133.10126	20.3
134.02737	2.2
135.08070	2.6
135.11687	7.3
137.09669	1.2
139.11217	3.5
143.08574	9.1
144.09361	2.6
145.04985	4.6
145.10121	73.5
146.10513	1.7
147.11687	11.0
149.09615	1.5
149.13252	3.0
153.09094	1.8
157.10100	6.1
158.02684	1.6
158.10934	1.7
159.11682	36.3
159.12949	2.2
161.13216	6.1
163.11243	2.4
171.11713	3.3
173.13240	16.3
175.14838	3.2
177.07405	3.5
179.10629	8.5
181.04887	1.3
189.16370	13.7
189.17789	1.3
191.09105	1.4
191.10712	5.0
191.14325	14.4
191.17889	2.6
199.14862	8.0
201.16377	100.0
202.16734	1.4
203.18008	4.4
209.15364	31.2
209.17215	1.9
218.19049	1.4
219.17435	34.7
219.19467	2.3
231.04988	2.7
233.13560	10.1
235.15205	4.3
237.18570	4.3
249.06088	6.3
251.14687	1.9
289.44025	1.1
305.15720	2.8
322.18335	76.2
323.16565	2.9
340.19363	27.1
358.20615	7.1
493.30670	1.2
502.24530	7.9
520.25726	51.6
521.26038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81976	0.9
55.01860	1.2
55.05518	2.6
56.05038	2.6
57.03451	1.1
57.07070	2.6
58.99576	3.1
67.04250	1.0
67.05506	7.3
68.05032	1.2
69.03431	4.3
69.07063	5.5
70.52345	2.0
73.02902	1.3
75.24571	1.0
76.02208	1.9
78.87584	1.0
79.05485	9.6
80.05001	1.4
80.20707	1.1
81.03412	1.8
81.07056	13.7
82.06589	3.2
83.08623	3.0
85.02914	7.0
86.00646	9.0
86.99059	2.2
88.02224	14.3
88.03989	4.5
91.05473	11.6
93.07050	17.3
94.06531	1.3
95.04958	2.3
95.08607	17.7
97.01048	1.1
97.02885	2.0
100.02264	1.1
105.00118	1.9
105.07030	24.2
107.08594	21.9
109.10153	9.7
111.02682	1.3
114.03777	2.9
117.07012	13.0
119.08583	18.8
121.10134	11.6
122.02723	6.9
122.09702	1.4
123.11677	1.2
127.03873	1.9
128.06203	2.4
129.07016	3.2
130.07787	4.6
131.08563	26.6
132.01144	31.3
133.10121	10.8
134.02707	6.2
135.11702	5.5
137.13252	1.5
139.05777	1.3
140.05278	2.5
143.08569	6.0
144.09315	2.9
145.10121	67.4
146.10884	1.7
147.11678	4.4
149.13248	1.6
151.05765	1.6
157.10124	4.1
159.11693	32.6
160.04286	5.5
161.13289	3.7
163.05786	1.7
163.14824	2.9
171.11742	2.3
172.12550	1.2
173.13274	12.0
175.14848	2.6
177.05510	1.3
177.07341	3.7
177.16344	1.5
186.05836	11.9
186.13918	1.2
187.14944	3.4
188.15514	1.4
189.16411	2.8
191.08896	1.4
191.10666	4.0
191.18015	1.3
199.14810	7.6
201.16382	75.7
208.20609	1.0
209.11745	2.9
217.18356	1.9
219.17465	7.4
226.09010	3.4
233.13538	7.3
235.15137	3.9
251.14764	1.3
262.73917	1.2
266.12195	4.6
285.27765	1.0
301.98422	1.0
307.35950	1.1
322.18338	100.0
323.18774	1.9
340.19415	34.3
358.20529	5.3
408.00195	1.3
423.85657	1.3
484.23517	4.6
502.24634	7.7
520.25031	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01869	3.9
55.05516	9.4
57.03434	4.4
57.07072	5.1
61.02922	3.7
62.64322	4.5
67.05497	8.0
69.03432	19.0
69.03751	3.5
69.07067	11.5
69.93225	9.2
71.05008	4.4
73.02940	5.6
79.05489	10.6
81.03426	12.4
81.07069	24.1
83.08617	6.6
85.02910	33.2
85.06537	7.7
87.00845	12.8
91.05499	4.2
91.75526	3.0
93.07056	13.7
95.08601	19.0
97.02354	3.5
97.02866	16.7
97.06572	7.1
99.04467	3.4
105.01853	13.3
105.07051	7.8
107.08598	21.6
109.02898	11.9
109.06521	3.9
109.10153	16.0
111.04431	3.9
119.08591	9.5
121.10160	33.3
123.11747	17.9
127.03899	21.7
130.08932	3.1
133.10146	8.8
135.08134	3.7
135.11697	10.2
137.13258	6.8
139.65379	3.1
145.04961	9.4
145.10130	8.5
147.11690	4.1
149.09711	5.3
149.13287	4.4
159.02898	4.7
159.11696	7.2
161.13269	5.7
161.22833	3.4
163.11223	9.8
167.10654	5.0
175.14864	6.3
177.16434	9.2
181.12259	13.1
184.46614	3.2
191.18039	3.3
201.16444	14.9
209.15338	5.7
219.17433	28.2
231.04944	4.4
237.18504	100.0
237.20900	6.2
249.15875	3.4
255.19508	27.9
292.19159	5.0
326.21719	3.3
489.13800	4.0
520.32971	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	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42974	0.9
53.03940	2.1
55.01858	2.4
55.05504	4.9
57.03424	3.6
57.07064	3.5
58.99576	1.4
60.25954	0.8
61.02929	2.7
61.38803	0.7
65.03937	1.4
67.05501	16.6
69.03424	25.5
69.07069	13.9
71.04996	0.9
73.02900	1.2
74.00635	0.9
76.02219	3.2
77.03934	1.0
79.05491	16.6
81.03418	5.3
81.07056	26.3
83.04951	2.1
83.08612	2.9
85.02899	30.2
85.06538	2.9
86.00642	2.3
86.99060	1.3
87.00822	6.2
87.04467	3.2
88.02217	7.2
88.03989	4.9
91.03944	1.0
91.05471	25.2
93.07041	35.6
94.18371	0.9
95.04970	2.8
95.08606	39.4
97.01161	2.3
97.02895	14.0
97.06530	2.9
97.10172	1.6
99.04443	2.8
103.05423	1.0
105.00092	1.9
105.01866	18.6
105.04596	0.9
105.07026	37.6
106.07320	0.9
107.04948	1.0
107.08588	40.7
109.02890	4.4
109.06523	2.6
109.10148	21.5
111.08089	1.6
111.11716	1.7
115.03923	3.1
115.05453	1.5
117.07012	25.9
119.08577	35.6
121.06537	1.9
121.10132	25.7
121.10977	1.4
122.02718	9.9
123.04426	4.3
123.08074	3.5
123.11732	4.1
125.04185	1.6
125.09621	6.6
127.03906	10.5
128.06221	1.8
129.07010	6.0
130.07826	4.1
131.08565	44.2
132.01115	4.9
133.04987	2.5
133.10117	19.6
133.11021	1.5
134.02715	2.4
135.08099	4.3
135.11681	12.1
137.05960	1.9
137.09583	1.0
139.11163	2.1
142.07771	0.8
143.08557	7.2
144.09337	3.2
145.04962	7.0
145.10117	78.5
146.02675	1.2
146.10645	1.4
147.11678	9.9
149.04193	2.3
149.09608	2.2
149.13277	3.0
151.03906	1.3
151.05751	0.9
153.09109	2.3
157.10126	5.6
158.02704	1.7
158.10904	3.9
159.11693	40.5
160.12399	1.8
161.13258	4.5
163.05919	1.6
163.11212	2.9
163.14847	1.7
165.12816	1.3
171.11720	2.3
172.12466	1.3
173.13258	22.1
175.14857	4.4
177.07343	4.4
179.10651	13.2
181.04988	2.1
187.14841	2.4
189.16374	23.4
190.16669	1.0
191.08961	1.5
191.10628	8.9
191.14307	26.9
191.17984	2.9
199.14813	7.1
201.16371	100.0
202.16736	1.9
203.17995	4.9
205.10509	1.2
209.15355	49.8
210.15686	1.6
217.10680	1.1
218.18947	1.2
219.17433	43.7
220.17917	1.2
226.08835	1.3
231.04948	6.5
233.13611	9.2
235.15247	3.0
237.18520	9.5
249.06036	10.0
251.14650	2.2
266.12103	1.9
305.15726	2.6
310.18423	1.2
322.18314	75.5
323.16534	1.0
323.18985	1.5
326.69235	0.9
340.19382	24.1
341.19586	0.9
358.20520	7.2
369.35031	1.0
415.53168	1.0
502.24792	6.2
520.25684	49.8
521.26154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82287	1.2
53.03949	6.3
53.58844	1.3
55.01870	5.7
55.05510	3.8
56.88135	1.2
57.03442	11.0
58.00164	1.2
58.99578	2.5
61.02929	6.5
64.98568	1.3
67.05515	11.3
68.99793	2.8
69.03430	38.5
69.07069	6.2
69.67367	5.4
71.01363	2.4
71.04996	4.2
73.02915	19.1
79.05510	9.1
81.03422	27.1
81.07053	21.8
83.04980	5.0
83.08614	2.3
85.02905	100.0
85.06528	2.2
87.00829	36.3
87.04478	2.8
88.02219	2.4
91.05473	14.5
93.07051	20.1
95.04980	4.2
95.08600	20.1
97.02890	46.2
97.06524	1.6
98.22725	1.8
99.04453	14.1
103.03947	5.6
103.05420	1.4
105.01865	62.9
105.07023	32.1
107.08599	24.0
108.04527	1.6
108.27731	1.5
109.02882	26.7
109.10158	10.7
111.04440	5.6
111.08093	3.0
115.03944	7.5
115.05384	2.2
117.01875	2.0
117.07019	9.0
119.08582	16.7
121.06516	3.0
121.10148	14.1
122.02752	10.0
123.04427	4.5
123.08136	2.0
125.02348	3.1
127.03915	79.7
129.01834	5.5
129.07004	2.7
130.07797	2.3
131.08577	26.0
133.10115	10.7
135.11713	10.4
137.05984	5.3
139.03856	7.5
143.08574	2.9
145.04961	23.3
145.10127	40.4
147.02887	2.0
147.04381	2.5
147.08055	1.5
147.11652	7.6
149.13206	2.9
150.07614	1.8
151.03891	3.6
151.07646	1.8
153.05449	3.3
157.10219	2.0
159.02870	13.0
159.11699	21.4
161.13232	8.7
163.03935	9.4
163.07556	1.9
163.11201	5.6
169.04994	1.7
173.09592	2.2
173.13245	9.5
175.14792	2.6
176.08336	3.3
177.12849	1.7
181.04964	18.1
183.02788	1.7
189.03941	9.1
189.16382	2.4
191.10657	40.3
191.17960	7.2
193.05096	2.0
199.05981	2.4
199.14920	3.7
201.16382	71.6
203.17920	10.9
205.04900	2.7
209.11862	1.5
213.03923	6.2
213.09088	3.3
214.74097	1.5
215.10579	1.6
217.07091	1.9
219.10211	2.6
219.17441	48.0
223.06029	4.8
231.04999	30.1
231.10072	2.0
233.13757	2.0
237.11214	3.9
237.18460	13.1
241.06975	7.2
247.16873	1.7
249.06001	10.0
255.12305	3.7
261.11237	2.7
273.05969	9.5
279.12308	5.6
303.12289	2.0
321.13467	2.0
322.18289	14.8
323.16763	1.9
327.07114	3.3
327.19592	1.8
335.11194	4.7
340.19449	14.9
345.20444	2.4
363.09229	3.0
413.19507	1.7
431.20795	2.2
444.99463	1.4
449.21652	4.2
520.24188	20.6
521.19348	2.0
521.32971	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01870	8.0
55.05507	5.2
55.12188	1.8
57.03429	3.5
57.07094	2.8
61.02931	4.2
67.05502	8.2
68.99774	2.4
69.03425	22.7
69.07069	6.8
70.05381	5.2
71.04993	4.6
73.02921	4.4
74.13021	1.8
79.05501	7.2
80.80513	1.6
81.03425	22.2
81.07066	19.3
83.04996	2.7
83.08627	3.4
85.02905	62.2
87.00832	20.4
87.04432	2.2
89.06083	2.1
91.05495	8.4
93.07057	19.3
95.04997	2.2
95.08607	22.6
97.02894	22.7
99.04457	10.8
105.01856	20.3
105.07033	26.2
107.08588	24.6
109.02875	19.4
109.06554	2.0
109.10162	15.8
111.08055	1.9
115.03953	4.4
115.05420	1.9
117.01869	3.3
117.07039	5.3
119.08587	19.6
121.06455	2.2
121.10157	13.5
123.08041	2.8
123.11715	2.5
124.03933	4.4
125.09647	2.9
127.03919	39.5
127.04861	2.6
129.01807	4.1
129.06976	2.1
131.08577	12.3
133.04869	2.3
133.10130	16.7
135.11708	13.1
139.03896	4.9
139.07570	2.6
139.11201	2.0
141.37262	2.1
145.04976	17.2
145.10123	27.9
147.02974	2.6
147.08054	7.1
147.11685	13.7
149.09645	2.4
149.13298	4.0
151.07533	5.1
159.02888	9.9
159.08064	2.2
159.11710	21.3
161.05988	2.7
161.13249	13.1
163.07494	1.8
163.11163	10.0
166.06233	9.0
167.07042	5.8
173.13255	13.4
175.07520	19.6
175.14847	7.5
177.09143	10.5
178.09897	3.6
181.04883	3.4
181.08600	4.9
191.10643	10.6
191.14334	8.3
191.17958	6.5
193.08630	21.4
194.09384	11.8
196.07314	6.9
201.16377	46.9
204.07736	2.2
209.11717	4.5
211.09663	7.3
213.03894	3.0
219.10243	10.4
219.15331	2.8
219.17441	40.7
219.19496	3.3
222.08897	5.8
231.05038	6.4
237.11212	100.0
237.18495	24.9
238.11491	2.5
249.05963	3.1
255.12297	71.3
255.19643	4.0
279.12418	2.2
305.17542	4.1
345.13431	2.4
431.64670	1.9
456.16672	1.8
467.22458	2.3
520.16504	10.5
520.25763	8.2
521.18011	14.1
521.25830	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05035	0.4
57.03442	0.1
58.06630	0.4
59.07113	0.1
59.07380	0.2
60.08160	6.1
67.05501	0.5
68.74262	0.1
69.07053	0.2
69.68764	0.1
69.69141	0.1
71.07371	2.5
72.32957	0.1
79.05489	0.2
79.98892	0.1
81.07037	0.4
83.08620	0.1
86.09702	28.5
87.10022	0.2
88.11364	0.1
93.07018	0.1
95.08591	0.4
98.98464	2.8
104.10744	2.9
105.07021	0.1
107.08592	0.1
109.10143	0.1
109.44563	0.1
121.10178	0.1
124.99996	19.6
143.01045	0.1
166.02705	0.1
184.07330	100.0
185.07704	1.0
189.72629	0.1
201.36348	0.1
234.53050	0.1
258.11087	0.2
260.24533	0.1
337.27600	0.2
377.94122	0.1
466.28021	0.1
474.08984	0.1
502.32974	1.1
520.27942	0.1
520.34003	3.0
521.34827	0.1
524.29333	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	520.3399
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05503	1.3
56.05030	1.2
56.58117	0.2
57.03434	0.3
58.06580	1.2
58.15610	0.2
60.08161	16.6
61.03645	0.2
67.05505	2.5
69.07072	1.3
69.12286	1.4
71.07374	5.9
79.05495	0.9
81.07051	2.6
83.08620	0.5
86.09702	49.6
91.05466	0.4
93.07037	0.8
95.08608	1.8
98.23418	0.5
98.98462	4.0
104.10738	93.5
105.07030	0.5
105.11085	0.6
107.08596	0.4
109.10164	0.7
119.08577	0.4
121.10078	0.3
124.99998	28.5
135.47299	0.2
163.01540	0.7
181.02592	0.3
184.07332	100.0
185.07695	0.8
204.89375	0.2
258.10995	1.0
337.27353	0.8
502.32898	8.1
503.32910	0.3
520.33954	33.1
521.33905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.55088	0.8
54.19317	0.9
55.05515	1.6
57.07077	48.1
57.20528	1.0
66.87483	0.9
67.05506	1.1
69.07060	1.5
73.06548	2.8
79.05487	1.1
81.03419	2.7
81.07060	2.1
87.04469	12.5
89.06033	100.0
90.06374	0.9
90.57760	1.0
91.05478	14.1
93.06623	0.9
93.07064	10.7
95.04964	3.8
101.38272	0.9
103.05485	3.0
105.04497	1.4
105.07019	9.8
107.04955	1.4
107.07064	1.5
107.08585	4.1
109.02865	2.1
109.06517	0.9
117.07056	1.6
119.04952	6.5
119.08569	5.9
121.06512	48.5
121.10144	3.6
123.08051	1.3
128.67180	1.0
129.07011	1.6
130.08620	1.1
131.07019	6.7
131.08575	1.5
133.08607	74.0
135.08078	2.8
135.11703	1.9
141.19002	1.2
144.09337	0.9
145.78915	0.9
147.08052	18.9
149.09599	5.8
149.13322	1.6
157.10254	1.0
159.11679	5.2
161.10747	4.4
163.07565	1.0
163.11182	1.9
165.09120	12.7
167.10677	4.4
169.70819	0.9
175.09708	1.5
175.11151	1.6
177.11226	25.1
177.12770	29.1
179.10623	1.1
191.10678	3.6
193.12288	1.2
203.14325	5.5
209.11710	3.9
211.13287	3.0
221.15442	49.4
222.15804	1.4
235.13321	3.3
247.16896	3.2
253.14403	1.0
255.15910	3.2
265.18079	16.6
267.15881	1.4
279.15817	2.1
288.55032	0.9
309.20609	1.9
398.79959	1.2
415.26917	2.6
447.25845	4.2
459.29312	3.8
476.18884	1.2
503.32178	34.5
520.35242	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	520.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.07066	1.5
67.05494	1.7
68.52814	0.9
69.07099	1.3
69.30840	4.7
74.09701	2.9
79.05513	0.9
81.07063	3.8
91.05483	1.0
93.07036	0.9
95.08606	3.5
102.42839	1.0
103.20049	0.9
105.07047	1.2
107.08578	2.6
108.75545	0.8
109.10178	3.2
115.45319	0.9
115.46061	1.2
119.08577	3.9
123.11703	1.6
133.10120	1.7
135.11691	2.0
137.09613	5.2
147.08038	9.3
149.09595	1.7
149.13260	1.2
164.22661	1.0
165.09116	59.4
205.19536	1.2
207.10162	100.0
208.10457	2.0
273.25711	1.3
291.26654	2.8
319.31857	1.1
329.99979	0.9
336.41052	1.0
417.29984	3.7
427.28555	1.9
431.31598	1.2
440.29013	4.7
443.82358	0.9
485.36285	25.5
502.71542	1.0
520.34985	5.4
521.24225	1.2
529.17102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99487	0.9
67.05475	1.6
72.82645	1.0
77.97391	1.0
79.53992	1.1
80.48167	1.0
81.07051	2.3
86.59313	0.9
93.07033	1.0
95.08607	2.7
98.23544	1.6
101.77737	1.0
109.10176	2.8
119.08576	4.5
123.11709	1.9
137.09636	8.1
147.08029	6.6
149.09601	2.5
165.09120	63.1
166.09448	1.7
207.10167	100.0
208.10500	2.4
235.73030	1.1
273.25784	2.8
291.26825	5.8
309.27896	1.1
368.19846	1.1
423.24933	1.1
443.34927	1.6
467.35101	2.2
485.36227	11.8
503.36859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.7
56.36768	1.1
57.07059	2.2
67.05501	7.7
69.07058	6.7
69.45425	2.4
69.45823	3.4
79.05496	4.9
81.07053	10.8
82.07394	1.6
83.08614	3.9
91.05512	2.5
93.07041	8.2
95.08605	12.7
96.08937	1.5
97.06519	2.6
97.10162	1.7
98.23499	1.7
105.07022	9.8
107.08614	6.3
109.10131	7.2
111.08083	84.4
111.11736	1.4
119.08570	4.2
121.10146	84.4
123.08065	29.6
123.11687	6.9
125.09696	1.9
133.10095	3.3
135.11685	5.5
136.12059	1.6
137.09599	16.6
137.13220	6.8
145.10028	1.5
146.59196	1.5
147.11664	9.2
149.13280	3.2
165.12753	27.0
175.11192	1.5
183.13806	7.3
184.07336	1.5
187.14832	1.8
201.12709	1.6
247.24139	1.8
248.24446	2.1
257.22659	3.5
265.25146	1.8
266.25626	5.4
275.23694	100.0
276.24112	1.7
303.23193	2.3
339.28760	2.4
340.29254	5.9
364.19196	1.4
421.34354	1.5
439.35666	4.7
439.80026	1.3
457.36642	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	521.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28436	0.2
58.64757	0.2
69.28454	1.0
85.02966	0.2
87.60194	0.2
107.56009	0.2
209.04483	0.6
209.11659	0.3
210.04816	0.8
227.12596	0.4
335.09491	2.4
389.17776	1.9
491.21381	0.2
521.22034	100.0
522.22333	3.4
532.17950	0.2
538.18304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2305
Annotation	Asukamycin D
Peak:m/z	Relative Intensity
89.51048	6.1
133.14244	5.7
136.11836	5.8
159.38177	6.0
232.49561	6.4
359.46762	7.2
505.22153	6.7
521.22681	100.0
521.29272	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	521.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65221	0.7
59.01979	0.6
64.52087	0.7
67.55038	0.6
69.75068	2.4
73.69906	0.7
79.29490	0.7
81.07060	1.1
81.59832	0.7
82.88331	0.6
83.78378	0.7
85.02905	1.2
87.77433	0.6
93.07049	1.3
95.08604	1.1
97.02917	0.8
107.08665	0.7
121.10168	1.3
157.70592	0.6
165.05441	0.7
202.16801	1.3
219.17543	1.1
220.17804	2.1
237.18530	0.7
238.18990	0.8
256.19254	0.7
257.53098	0.7
359.21927	2.5
391.82343	0.8
477.21082	0.7
521.27216	100.0
522.27307	4.0
536.60663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2876
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
55.48820	0.4
59.75311	0.4
69.30840	1.3
69.31251	0.8
70.06779	0.3
73.62497	0.4
95.04993	0.4
95.08614	0.4
98.23431	0.9
100.15231	0.5
137.05968	0.5
168.96677	0.4
175.03737	0.5
177.09172	0.5
184.07365	0.4
246.14928	0.4
493.29251	0.8
513.15778	0.4
521.28717	100.0
522.29095	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	521.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
70.51286	1.5
89.20046	0.7
93.07053	0.8
95.52293	0.6
98.22967	1.1
132.22784	0.6
133.96407	0.6
137.06023	1.2
139.07521	0.9
151.07536	1.4
167.07060	1.4
175.07622	0.8
223.06627	0.8
234.55151	0.6
249.02353	0.7
272.78647	0.6
350.12830	0.6
377.03894	0.7
388.33255	0.7
418.72037	0.7
493.29037	1.0
521.28693	100.0
522.29047	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	521.2881
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
64.65366	0.5
69.59920	2.3
86.09721	1.2
98.22650	0.6
104.10749	1.6
108.65993	0.5
112.26262	0.5
116.93833	0.6
125.26511	0.6
140.58467	0.5
184.07365	2.6
208.86650	0.6
250.29172	0.5
258.60538	0.6
308.14240	0.5
349.41476	0.6
381.35193	0.6
521.28735	100.0
522.29041	4.5
522.35602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64906	0.5
69.24792	2.3
74.91887	0.5
95.08581	0.5
98.22672	0.7
105.65937	0.4
137.05939	0.5
172.47028	0.6
184.07414	0.9
205.31139	0.5
246.99495	0.5
282.35303	0.5
338.67627	0.5
376.90021	0.5
521.28748	100.0
522.28955	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	521.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.05513	14.0
57.07067	2.9
59.52771	1.4
60.80276	1.4
67.05502	38.0
67.05865	2.2
68.72904	1.5
69.07066	33.5
69.21700	9.3
71.08640	1.8
79.05489	22.0
81.07055	100.0
83.01333	5.0
83.08624	6.4
85.02888	3.5
91.05485	16.8
93.07045	24.2
95.04984	3.5
95.08603	53.8
97.06554	1.8
97.10178	4.8
98.23466	2.3
100.40814	1.5
105.07030	23.7
107.04961	1.6
107.08581	19.0
107.09161	1.8
109.10150	38.4
117.07028	3.1
119.08566	20.3
121.06468	1.8
121.10149	15.4
123.11706	14.1
125.05975	13.9
129.07033	3.2
131.08588	7.8
133.10126	12.8
135.11688	9.9
137.05992	5.5
137.13240	8.5
139.07567	3.8
143.08592	5.7
145.10126	7.7
147.08066	3.6
147.11702	12.2
149.09665	1.7
149.13251	3.6
151.07565	6.2
153.05460	30.2
157.10150	5.6
159.08054	4.8
159.11711	7.0
161.05991	3.9
161.09657	5.0
161.13254	5.8
163.14825	2.2
167.07065	16.3
169.04987	5.6
171.11711	4.2
173.09657	3.7
173.13393	1.8
173.32307	1.5
175.07576	5.8
175.11145	1.7
175.14848	3.3
177.05504	3.8
177.09109	7.2
177.16374	4.1
178.09995	2.0
179.07047	4.2
179.08469	1.9
179.10687	4.8
181.08609	3.2
183.11687	2.3
184.07341	9.1
185.09579	1.6
185.13272	1.8
187.07587	2.0
189.09125	5.3
191.07051	3.6
191.10651	2.9
191.18053	1.6
193.08635	6.3
199.09604	3.9
199.14833	1.8
201.09119	5.9
201.16467	5.1
203.10612	2.5
203.17992	12.8
205.08636	3.7
207.10181	4.5
213.12692	1.7
215.10742	4.5
217.08704	1.5
217.12291	3.3
219.10168	2.8
227.10753	2.4
233.11752	2.3
243.13922	2.2
247.13213	2.3
253.15849	1.8
257.15472	1.5
269.15369	2.3
283.17075	2.0
284.44318	1.6
289.21695	1.8
315.23175	4.6
317.21155	1.8
325.21649	1.9
341.76840	1.5
343.22577	1.7
367.26349	6.1
369.24112	1.7
375.25601	1.5
379.26141	2.4
385.27383	4.9
395.29364	3.6
397.27231	1.9
421.31015	3.2
435.32889	3.4
447.32559	4.9
453.33875	2.3
465.33694	1.9
465.40720	1.7
475.39423	2.7
493.40244	2.3
503.38803	42.6
503.46310	2.5
504.39526	2.6
521.31732	4.9
521.39856	50.8
522.39655	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	521.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.8
57.07075	4.9
67.05515	10.9
69.07070	28.0
70.70544	3.1
71.08636	2.4
78.44666	1.3
79.05495	5.7
81.07060	61.4
83.08636	4.0
86.86799	1.4
91.05489	4.4
95.08604	23.9
97.10167	4.1
98.15856	1.6
105.07035	3.4
109.10164	6.5
111.11694	2.5
119.04949	17.0
119.08607	1.9
123.11709	5.8
131.08594	10.7
137.13269	5.8
143.08578	3.3
145.06509	5.7
145.10123	2.4
147.04445	2.7
151.07561	4.3
155.08629	3.8
157.06448	1.5
157.10155	2.9
159.08061	18.1
161.06000	1.9
165.07013	1.6
165.61734	1.5
169.10188	2.0
171.08063	5.6
173.06010	12.9
175.07574	8.2
179.18001	1.6
180.09380	1.6
181.10164	2.4
185.09601	4.6
187.07549	100.0
188.07988	1.7
189.05492	3.1
190.06206	1.4
195.11661	2.4
197.09624	1.6
199.11188	2.8
200.52325	1.5
201.09155	3.1
203.07008	12.1
204.07825	6.0
207.11835	1.8
209.09679	4.1
209.13139	1.8
211.11205	4.8
212.08446	1.9
213.09094	15.9
213.13017	1.4
223.11171	1.7
227.10669	23.5
241.12334	3.0
251.14124	2.0
257.15561	1.5
325.25238	1.6
335.23788	2.4
353.24707	21.2
354.25177	1.6
374.66870	1.5
385.27170	1.9
408.90509	1.4
452.53391	1.8
461.38089	8.2
521.39911	92.5
522.40125	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	522.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
56.56784	0.7
57.03439	1.0
59.38854	0.7
65.03937	2.8
67.05504	1.0
69.03425	3.1
69.76644	2.3
69.77026	0.9
80.30829	0.9
81.03406	2.7
81.07051	0.9
85.02901	3.4
93.03417	0.9
93.07023	1.5
94.27995	0.7
95.08636	1.6
97.02882	3.2
101.38805	0.7
105.01858	0.8
107.08600	1.0
109.02855	1.2
109.10158	1.2
111.04473	1.0
119.08582	1.0
121.02864	100.0
121.10094	1.2
121.57639	0.8
122.03196	1.3
127.03940	2.2
133.10097	1.5
135.11700	1.0
137.05968	3.0
139.03899	75.3
161.05968	2.8
163.07553	11.5
177.09149	1.5
187.07542	1.9
201.08958	0.9
202.40994	0.7
203.17905	1.3
205.08597	3.3
219.03220	0.7
221.19028	1.4
223.09642	11.1
228.33492	0.8
229.08676	1.2
247.06163	1.5
247.09669	3.6
265.07095	2.1
283.08127	6.5
288.40671	0.8
289.10629	1.7
313.10663	4.1
331.11737	1.0
431.89404	0.8
522.20874	0.9
522.27618	12.7
523.21436	1.6
523.29132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.83422	0.3
57.03428	1.1
57.05672	0.3
60.04545	0.4
61.02941	0.3
61.41033	0.4
61.84916	0.3
64.48088	0.3
69.03425	3.7
69.07074	2.4
69.41576	0.8
69.41984	1.0
73.02924	0.9
74.67661	0.3
76.49429	0.3
79.05502	2.2
81.03400	0.4
81.07046	1.6
84.59666	0.3
85.02900	3.5
87.04475	1.8
91.05487	0.7
93.07075	0.8
94.04185	0.4
95.04951	0.7
95.08601	0.7
97.02887	3.2
98.23563	0.4
105.01919	0.4
105.07037	0.8
107.04968	2.5
107.08614	0.8
109.02905	0.6
109.06495	1.6
109.10178	0.6
115.03928	4.0
119.08617	0.5
121.10088	0.4
123.04491	0.4
125.05992	1.1
127.03923	0.9
127.59926	0.3
133.04974	3.5
133.10124	0.6
135.05586	0.4
135.08046	0.5
137.05977	100.0
138.06357	1.2
139.07487	0.3
145.04913	1.0
147.08083	0.5
147.11699	0.6
150.07600	1.3
151.03909	1.2
151.07587	2.2
161.06001	1.5
163.06274	0.5
163.07524	2.7
163.11140	0.4
175.07555	1.5
179.07051	0.9
189.12631	0.4
193.12244	65.9
194.12593	1.1
203.10684	0.4
203.17947	1.4
205.12219	3.7
211.13145	0.6
217.12213	3.6
221.19026	0.7
229.08615	0.3
229.12242	0.7
233.11761	0.8
235.13289	5.0
237.11292	0.4
238.52121	0.3
251.12405	0.4
259.13342	0.7
269.10214	0.4
271.13275	0.8
289.14362	3.3
307.15451	0.9
319.15311	0.8
325.16483	2.0
355.17599	0.5
380.08392	0.4
522.20245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04348	0.3
52.71387	0.3
53.03942	0.4
55.01860	1.0
57.03423	2.3
61.02929	1.9
65.03932	0.4
67.23586	0.3
69.03429	4.0
69.07062	1.1
69.55560	0.7
69.55951	0.7
71.08266	0.5
71.08628	6.6
73.02916	2.7
79.05481	0.5
81.03419	1.5
81.07027	0.6
85.02900	21.0
86.03268	0.3
87.04484	0.5
91.03954	1.6
91.05502	0.3
93.07019	0.3
97.02887	6.6
99.04424	0.9
103.03926	0.5
105.07066	0.3
107.04951	1.0
109.02879	2.3
110.03596	0.5
111.04437	21.6
115.03921	1.2
125.05969	0.7
127.03904	5.2
135.04420	0.6
137.05972	13.9
139.03876	1.1
145.04947	10.6
149.06041	0.3
151.03918	0.9
151.07562	0.4
161.05971	0.4
163.06027	3.7
163.07390	0.6
179.07053	0.3
180.08739	0.4
181.12221	100.0
182.12624	1.7
187.07632	0.3
189.09001	0.5
193.12230	15.9
194.12529	0.4
205.12222	2.8
211.13309	0.7
213.01158	0.3
217.12276	1.9
221.11691	0.8
223.13313	1.6
229.12206	0.5
235.13206	0.8
247.13217	2.2
248.38745	0.3
259.13263	0.4
271.13138	0.5
272.46585	0.3
277.14200	0.3
289.14276	1.0
307.15341	2.1
319.15320	0.8
325.16415	0.6
342.20892	0.5
523.21136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.8
55.83583	0.7
57.03450	1.0
62.98238	1.9
66.31787	0.8
67.05506	4.1
69.07065	2.3
69.87710	2.2
71.40755	0.8
79.05490	1.5
81.07060	3.5
83.08607	0.9
86.09699	1.9
91.05477	1.2
93.07069	1.0
95.08617	3.2
98.22783	1.2
105.80764	0.8
124.93773	60.5
125.00046	1.5
142.94810	10.0
167.97993	37.6
169.18893	0.8
176.99315	1.6
184.07361	6.6
184.94095	1.0
185.07747	2.1
185.99028	15.7
186.00578	1.6
186.07832	1.5
198.97470	2.3
259.17242	0.9
333.38272	0.9
337.27420	15.4
461.20422	11.6
466.21570	1.3
479.21460	3.2
522.25665	100.0
523.26062	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	522.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22062	1.0
67.05496	1.6
69.54169	3.1
75.05123	1.0
75.28720	1.3
79.05490	1.3
81.03351	1.0
81.07020	1.3
90.04693	1.0
91.05462	4.3
95.04956	1.2
98.85310	0.9
105.07001	1.9
106.04193	1.2
107.04947	6.6
108.05731	3.4
121.06512	1.8
133.06511	1.1
135.04384	2.2
135.08022	1.6
136.05176	7.4
137.05981	2.2
138.06714	1.7
146.07285	1.8
147.08029	1.9
148.05180	8.9
150.06703	1.8
151.07535	100.0
152.08009	1.0
152.69232	1.1
153.09081	1.9
159.08061	1.3
161.05963	1.9
163.07535	3.9
165.05525	1.8
165.09097	8.8
166.06242	14.3
167.06970	3.2
171.08060	1.8
173.05954	2.3
173.09592	1.1
176.08261	2.6
177.09126	8.6
181.08591	69.2
182.08980	1.2
186.10374	1.9
187.07579	3.0
188.08315	4.9
189.09053	6.0
190.09737	1.1
191.07085	1.3
191.10651	3.5
192.22672	1.2
193.08632	3.5
195.10164	4.2
201.09076	4.6
201.57379	1.1
202.09930	6.3
203.10715	11.1
207.10211	3.1
215.10730	1.5
216.11467	4.5
217.08685	1.0
217.12276	9.3
219.10103	1.3
221.11702	1.3
231.10146	1.1
233.11713	4.9
247.13303	10.7
353.17453	4.0
354.18161	4.3
370.17734	14.4
371.18073	1.3
385.20050	64.9
386.20319	2.7
403.21127	3.0
487.24289	1.1
522.31097	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	522.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05517	9.8
57.03438	5.1
57.07082	2.0
58.06626	0.7
60.04528	0.9
60.08166	7.1
61.08488	0.8
61.19948	0.7
64.65566	0.5
65.03947	0.9
67.05504	26.0
68.05858	0.6
69.07067	14.8
69.74596	1.4
69.74987	1.0
71.07375	2.7
71.08643	1.1
72.07736	0.8
79.05494	5.3
81.07057	24.8
83.08614	6.4
85.10215	0.5
86.09701	16.2
87.10030	5.2
88.03999	5.3
88.10395	0.6
91.05472	3.9
93.07040	6.0
95.08601	17.7
96.08934	0.6
97.06545	2.2
97.10165	3.4
98.22756	1.2
98.98470	5.6
99.08054	0.7
104.10741	34.3
105.07034	3.0
105.10438	1.0
105.11073	8.7
106.05022	0.8
106.11317	0.9
107.08598	3.6
109.10146	6.7
109.10794	0.7
111.08109	1.2
111.11717	0.8
119.08559	2.6
121.10177	2.5
123.08160	0.6
123.11723	3.1
124.93776	2.2
125.00000	10.0
126.00352	1.5
127.00435	2.4
133.10144	2.5
135.11717	1.6
137.13300	0.7
147.11700	1.5
149.13312	0.8
151.14931	0.7
155.01097	0.9
161.13286	1.5
163.14842	1.1
167.98000	1.3
173.02119	1.3
184.07341	29.1
185.07698	11.5
186.07761	7.8
241.87125	0.6
245.22676	0.8
260.05316	0.6
263.23721	1.6
297.49878	0.6
317.63007	0.6
337.27359	100.0
338.27759	2.4
350.26920	1.9
366.60419	0.6
461.20203	4.2
504.33453	4.3
521.33771	0.7
522.25592	3.4
522.34460	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.0
55.01862	8.5
55.05506	10.8
57.03429	8.7
57.07062	3.4
61.02924	8.5
67.05516	20.2
68.99776	4.2
69.03429	42.0
69.07064	36.1
69.07587	12.6
69.47042	2.5
71.04986	9.6
73.02922	6.4
79.05479	9.4
81.03410	31.7
81.07056	54.6
82.07378	3.6
83.04993	6.3
83.08617	9.4
85.02905	100.0
85.03422	5.7
85.06540	2.9
87.00835	36.6
91.05476	9.9
93.07055	28.1
95.04950	7.8
95.08611	58.0
97.02890	44.3
97.06570	2.8
97.10168	8.0
98.22723	6.3
99.04459	18.3
99.08084	2.5
105.01863	39.2
105.07030	32.8
107.08593	30.7
108.08049	2.6
109.02888	35.6
109.06478	2.4
109.10162	53.0
111.08076	3.2
111.11707	7.6
113.98757	2.5
115.03920	4.8
116.07073	2.6
117.01872	4.6
119.08569	26.6
121.10156	21.3
123.08062	4.9
123.11696	21.1
125.09643	2.8
127.03914	63.9
127.04865	3.6
128.50790	2.9
129.01787	5.2
131.08582	4.1
133.10118	22.7
135.11697	16.4
137.09618	5.2
137.13260	4.8
139.11206	2.5
143.08562	3.5
144.06583	6.2
145.04953	29.2
145.10147	4.4
147.08080	3.4
147.11699	37.1
149.13245	16.3
155.08594	3.9
155.10736	6.2
157.10146	7.0
159.02892	20.1
161.13278	13.0
163.14874	13.6
165.09079	5.2
165.12787	7.7
170.08234	3.5
175.14771	7.1
191.17932	4.3
193.10272	2.8
203.14540	2.9
203.17961	52.0
205.19551	5.0
210.11240	3.7
213.03938	3.2
221.15349	7.2
221.18996	32.7
231.04877	12.2
239.20070	28.7
360.21954	3.8
433.22412	2.8
478.32523	3.9
486.35742	5.9
504.36710	4.7
522.26526	3.9
523.19281	5.2
523.27100	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	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
55.05510	9.0
57.03439	4.7
67.05505	15.5
69.03439	18.1
69.07073	14.1
70.71262	6.7
70.71605	5.3
71.05000	22.9
79.05491	21.1
81.03404	6.2
81.06578	4.8
81.07055	94.1
83.08617	5.7
85.02903	23.3
87.00829	11.4
91.05463	18.4
93.07049	49.6
93.53513	3.2
95.04952	3.7
95.08601	37.1
97.02914	9.5
99.04450	4.4
99.08112	7.4
105.01860	24.4
105.07030	51.3
107.08589	58.6
109.02888	6.2
109.10180	40.0
119.08584	95.8
121.10162	14.2
123.08059	7.3
123.11713	26.3
127.03884	19.5
127.11199	29.2
129.05537	5.5
132.49953	3.5
133.10138	47.9
135.04388	5.0
135.11696	99.5
137.05959	4.5
137.13226	6.0
143.10689	15.4
145.05000	10.2
147.11665	29.7
149.13271	11.6
151.11192	4.0
153.12772	8.6
154.80145	4.3
161.13261	34.0
163.14938	5.7
175.14877	3.9
177.16512	4.0
194.91100	4.1
203.17958	91.4
221.15445	10.1
221.18996	100.0
221.21146	5.1
231.05016	8.2
239.16394	12.0
249.06062	9.0
409.66327	4.2
446.19238	4.1
504.25153	9.8
522.26221	10.9
548.65729	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.6
55.05504	5.1
57.03419	7.0
57.07082	4.0
61.02936	4.8
67.05508	12.3
67.65127	3.6
69.03426	21.5
69.07067	10.9
70.67944	8.4
71.04977	7.6
73.02932	6.1
79.05470	9.8
81.03396	12.5
81.07059	28.6
82.48781	3.6
83.08618	6.9
83.67226	3.4
85.02906	63.5
85.06528	8.0
87.00827	29.0
91.05463	8.7
93.07059	20.8
95.04965	4.4
95.08597	28.5
97.02902	31.0
97.06521	5.1
99.04474	7.0
99.08098	50.0
105.01872	56.8
105.07049	21.6
107.04948	13.8
107.08599	24.0
107.88851	3.7
109.02862	12.1
109.06500	5.1
109.10155	30.0
111.08049	5.6
114.34573	3.3
117.03368	3.7
119.08574	25.9
121.10139	15.6
123.08092	11.0
123.11710	11.5
127.03915	50.1
130.06464	6.0
133.10150	32.7
135.11687	11.2
137.06020	5.2
137.09598	4.5
139.11107	4.4
145.02818	7.1
145.04973	19.8
147.11702	18.6
149.13223	9.5
159.02869	6.1
159.11729	4.5
161.13274	15.0
175.14835	6.8
177.05437	16.9
178.97397	3.7
193.15874	60.4
203.17950	100.0
213.03989	4.5
221.15363	13.3
221.18997	61.2
231.04910	26.8
239.16425	9.0
239.20033	8.2
249.06012	27.5
257.17520	4.0
259.70764	3.8
274.10510	7.5
292.10162	4.4
372.15338	8.4
437.21524	4.8
469.23975	8.2
479.22736	8.4
504.24927	19.9
522.25958	43.7
522.31580	5.6
523.21313	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	522.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06615	0.5
55.05507	1.8
55.54387	0.4
57.07075	2.6
59.05001	0.5
60.08162	5.6
67.05487	2.1
69.07063	2.4
70.68389	0.7
71.07370	2.9
79.05476	2.6
81.07048	3.8
83.08623	1.0
86.09702	28.0
87.63833	0.5
87.98608	0.5
88.58992	0.4
91.05452	3.3
93.07036	8.5
95.04945	0.5
95.08615	4.8
97.06540	0.7
97.10165	1.1
98.23135	0.5
98.98483	2.5
104.10740	3.2
105.07014	5.4
107.08588	9.2
109.10146	3.3
117.07018	1.1
119.08573	7.9
121.06482	0.4
121.10139	6.7
123.08004	0.8
123.11656	1.0
124.99997	19.7
128.06258	0.8
129.06999	2.4
131.08577	4.7
133.06522	0.4
133.10133	2.4
135.11674	11.2
137.09608	3.3
141.06937	1.2
142.07761	0.8
143.08531	5.2
145.10115	4.7
147.08017	0.6
147.11739	2.1
149.09615	1.0
151.47606	0.4
153.06985	0.8
155.08595	2.2
156.09320	0.7
157.10117	5.9
159.11707	3.3
161.13243	1.6
163.11151	1.1
165.06969	0.9
166.07738	2.4
167.08563	4.8
168.09357	0.7
169.10072	3.2
170.10928	0.9
171.08054	0.7
171.11711	3.8
173.13252	3.3
175.11180	2.0
179.08551	1.6
180.09285	1.3
181.10094	12.4
182.10744	0.6
183.11685	3.9
184.07332	100.0
185.07715	0.9
185.09645	0.9
185.13251	4.9
187.14789	2.1
189.12732	1.7
193.10088	1.8
194.10869	2.1
195.11667	7.6
196.12422	0.7
197.13263	1.9
199.11118	0.9
199.14792	4.6
201.12732	1.4
203.14339	1.0
207.11751	0.5
208.12424	1.3
209.13231	9.0
210.14014	0.9
211.14856	1.1
213.12878	0.9
213.16505	1.2
222.14047	0.7
223.14824	9.0
224.15459	0.6
225.16371	4.3
227.14308	3.5
235.14909	0.6
236.65915	0.5
237.16360	4.0
239.17908	1.8
241.15829	2.2
241.19511	1.0
255.21089	4.6
265.19492	30.3
266.19797	1.0
283.20541	45.8
284.20905	1.1
301.21616	8.2
325.21588	11.0
341.00854	0.5
343.22635	4.8
380.60541	0.4
385.27521	0.6
403.24814	1.5
445.28992	0.5
504.34174	0.9
522.35284	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	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05033	0.4
57.03431	0.2
58.06363	0.2
58.06620	0.4
59.07383	0.2
60.08163	5.5
65.66541	0.1
67.05501	0.3
69.07067	0.3
70.06578	0.1
71.07372	2.8
71.21445	0.2
80.29723	0.1
81.07072	0.2
83.08630	0.2
86.09705	28.4
87.10023	0.2
95.08591	0.3
97.10134	0.2
98.98467	2.8
104.10094	0.3
104.10737	2.9
121.10020	0.1
124.18887	0.2
125.00002	18.3
135.11603	0.2
161.15681	0.2
184.07338	100.0
185.07681	0.9
258.11017	0.3
469.72028	0.2
504.34662	1.3
522.35638	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	522.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.2
56.05028	1.3
57.03418	0.7
57.07068	1.5
58.06603	1.3
59.07353	0.3
60.08162	16.7
61.02930	0.3
67.05508	2.9
69.07057	3.5
69.35749	1.7
71.07015	0.5
71.07375	6.7
71.08620	0.5
79.05463	0.9
81.06697	0.3
81.07066	3.2
83.08622	2.6
86.09705	52.6
87.10033	0.4
91.05495	0.4
93.07048	1.5
95.08602	3.1
97.06523	0.8
97.10155	1.2
98.98480	4.1
104.10743	96.4
105.11071	0.7
107.08580	0.9
109.10151	1.6
111.11736	0.4
121.10165	2.0
123.11678	0.6
125.00002	31.0
130.17744	0.3
130.28876	0.3
135.11676	1.5
136.93141	0.4
149.13228	0.6
151.14796	0.4
153.95821	0.3
163.01563	0.5
172.95207	0.3
184.07339	100.0
185.07721	0.7
203.10658	0.5
233.22643	1.3
243.21698	0.3
251.23685	2.8
258.10974	0.7
269.24625	0.6
323.97833	0.4
325.27435	3.0
339.29059	1.1
339.86072	0.3
343.28452	0.8
439.59708	0.3
445.27203	0.4
504.34448	8.5
522.35553	34.2
523.35791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18592	1.4
54.18849	1.8
55.01867	2.7
55.05502	5.6
57.03427	6.5
57.07068	3.5
64.25414	1.7
67.05500	7.0
68.41042	1.6
69.07065	37.9
70.71346	3.4
71.04988	31.3
79.05482	3.8
80.84659	1.6
81.07065	10.5
83.04976	4.3
83.08603	8.4
85.02902	27.9
86.09698	5.4
92.36491	1.7
93.07050	11.0
95.08594	11.9
96.61671	1.6
97.06532	15.5
98.22837	2.3
104.10748	2.7
107.08599	11.8
109.10135	5.9
111.04446	2.4
111.08061	5.8
111.11713	7.9
125.00019	3.6
125.63349	1.6
129.05490	6.9
135.11696	43.3
147.06534	3.2
151.33803	1.6
153.05418	2.0
153.12737	75.7
164.09184	3.8
164.95059	1.9
171.13795	100.0
184.07317	13.4
189.14830	23.2
237.36769	1.8
275.57617	1.8
300.47241	1.8
330.10715	2.0
341.26849	6.1
359.27872	5.8
400.71609	1.8
415.76257	1.9
522.28186	18.9
522.35803	3.1
523.28796	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	522.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	22.2
57.03422	6.0
57.07079	11.3
60.08165	16.3
61.02915	3.5
67.05161	3.8
67.05498	26.4
67.22635	2.1
69.07063	36.6
69.20949	5.0
69.21362	9.4
71.07375	5.1
71.08622	7.4
79.05484	17.8
81.03410	2.6
81.07053	45.0
83.08605	30.7
85.02908	4.5
86.09704	42.5
91.03917	3.0
91.05476	3.8
92.83234	2.2
93.07033	23.3
95.08611	38.0
97.02850	3.1
97.06532	5.7
97.10172	19.1
104.10739	65.3
105.07021	2.8
107.08609	17.6
109.10138	15.6
111.08050	3.1
111.11733	6.6
118.98248	2.4
121.10134	36.9
123.08068	3.0
123.11692	6.6
125.00003	23.9
125.09620	4.0
135.11674	22.1
137.05968	4.7
137.13206	5.7
149.13255	12.7
151.14775	3.4
163.07576	3.8
163.14825	4.4
177.16261	2.8
178.08022	2.3
184.07341	100.0
233.22659	27.3
251.23680	80.2
269.24759	14.5
325.27307	64.4
343.28409	29.1
389.75851	2.4
436.92670	2.4
504.34396	4.6
522.28876	5.2
522.35492	26.1
523.24445	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	523.1954
Annotation	Ticagrelor
Peak:m/z	Relative Intensity
53.33474	0.8
56.96560	1.9
58.78059	0.9
69.42645	5.1
69.64152	0.9
76.08888	0.9
84.95986	0.9
91.48828	0.9
98.54618	0.9
98.97578	10.3
110.96394	1.0
110.97554	0.9
116.98625	2.7
124.29187	1.0
128.98557	1.0
131.00168	2.8
137.02386	1.1
144.98170	0.9
158.99680	4.7
173.01289	1.5
177.00690	2.6
181.38454	1.0
191.02184	1.1
213.56090	1.0
219.01764	1.2
275.13254	1.7
275.16104	1.0
289.05344	0.9
315.06769	2.0
335.15506	1.5
377.96408	0.9
388.67072	1.0
406.27325	1.0
437.18155	10.0
479.19223	10.3
523.19830	100.0
523.28723	6.7
524.19708	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
57.07079	13.8
65.03944	9.8
68.99781	3.1
70.31178	2.7
70.31505	3.1
111.04435	29.5
121.02876	16.6
121.03964	2.9
121.06441	2.7
139.03891	31.3
147.08076	3.4
149.02318	24.7
149.03239	2.3
150.25691	2.4
153.01836	22.5
167.03391	56.8
170.48328	2.2
175.07549	3.4
179.08554	2.5
185.05971	8.7
189.09219	3.6
195.02887	76.3
199.07619	7.7
203.07037	5.1
213.05455	36.7
213.07306	3.6
227.06935	14.0
228.07837	3.3
230.05843	10.4
231.06511	16.6
241.08560	4.5
299.16504	3.3
301.18008	8.3
311.16360	17.9
329.17450	65.7
367.07956	2.7
421.09042	3.1
523.19659	100.0
524.20056	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	523.2152
Annotation	Isobrucein A
Peak:m/z	Relative Intensity
62.96999	0.4
62.97383	0.4
63.22643	0.5
69.03421	0.7
69.35795	2.0
81.07050	1.3
85.02900	1.3
87.00841	0.7
93.07047	1.1
97.02891	1.0
98.97595	1.8
105.01853	0.6
116.98605	0.7
121.02810	0.5
127.03962	0.7
133.10039	0.4
139.03917	0.5
141.85979	0.4
151.07591	0.5
161.05893	0.6
177.00717	0.6
191.10721	0.6
203.18054	0.7
204.18257	0.6
221.18939	0.5
227.05240	1.1
240.56956	0.5
243.04935	0.5
245.06458	0.6
275.16199	1.6
289.05286	1.6
303.15866	0.7
321.21317	0.4
359.48029	0.6
419.20468	0.8
437.21735	6.7
440.48022	0.4
461.22031	0.6
479.22556	24.2
480.22839	0.7
523.21423	100.0
523.27905	3.7
524.21979	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	523.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66040	1.9
67.05491	2.4
67.77998	1.8
69.03414	3.0
69.20367	12.6
71.70554	2.0
76.33209	2.1
79.05485	3.3
81.07062	2.8
91.05455	2.7
93.07069	2.9
97.02897	2.3
98.23281	8.5
109.06431	2.9
109.27604	2.1
124.05171	2.9
137.05942	5.9
143.07005	6.2
151.07495	3.2
153.05424	5.4
154.06189	2.5
154.37573	2.0
155.26541	2.0
167.06999	3.8
169.08617	3.3
177.09172	2.9
182.05687	3.5
185.04367	2.3
197.08102	23.9
232.61134	2.0
297.14749	2.7
459.27243	4.1
463.30359	3.3
491.29602	4.1
523.28424	100.0
524.29126	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	523.2881
Annotation	Scutenisin
Peak:m/z	Relative Intensity
51.44534	0.3
69.21658	0.7
69.22065	1.5
74.31512	0.3
107.08573	0.3
123.04462	0.5
131.81824	0.3
133.59575	0.3
149.05898	0.3
185.04166	0.6
203.05298	0.7
259.07956	0.5
360.53644	0.3
424.51852	0.3
431.28250	0.4
505.28220	1.3
523.28754	100.0
524.29053	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	523.3032
Annotation	schiprolactone A
Peak:m/z	Relative Intensity
63.58169	1.1
68.68268	1.2
69.11664	7.0
93.07069	1.5
167.07083	1.9
205.15306	1.1
229.08812	1.2
239.01082	1.1
355.88852	1.3
508.27930	2.1
523.31006	100.0
524.31354	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	523.3036
Annotation	schiprolactone A
Peak:m/z	Relative Intensity
67.05498	0.6
69.07070	0.8
70.34104	0.9
71.04973	0.6
81.07063	0.8
85.02916	0.7
95.08586	0.8
107.08573	0.4
135.11702	1.0
139.16364	0.5
145.02899	0.6
153.12759	1.2
167.40004	0.4
171.13806	1.9
172.14136	1.0
177.05513	1.4
184.07378	0.8
210.97667	0.5
225.25099	0.4
385.23428	0.7
469.96249	0.4
523.30353	100.0
524.31036	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	523.3036
Annotation	schiprolactone A
Peak:m/z	Relative Intensity
54.35882	0.5
57.07064	0.7
65.74031	0.4
67.05513	0.6
69.07068	0.4
70.70418	1.0
81.07083	0.7
91.05464	0.7
95.08622	0.8
113.51077	0.5
122.33997	0.5
126.29459	0.5
136.93115	0.9
151.07532	0.7
154.94193	1.1
159.75056	0.5
172.95271	1.9
175.03726	0.5
184.07309	0.9
190.96181	0.5
209.80881	0.5
210.97797	3.0
217.08788	0.5
228.97827	0.6
313.27280	0.9
372.47784	0.5
467.20657	0.6
507.29898	0.6
523.30347	100.0
524.30792	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	523.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
55.01885	0.6
55.05507	1.9
61.62786	0.4
65.03937	1.6
67.05499	9.2
69.07069	1.8
69.31876	2.7
77.03925	0.7
79.05499	5.7
81.07050	11.7
83.01343	1.8
91.05473	12.0
93.07043	5.6
95.04956	2.7
95.08604	8.1
96.52592	0.4
98.22783	1.1
98.23426	1.1
103.05497	0.8
105.04499	1.3
105.07026	3.7
107.04954	1.6
107.08604	1.8
108.05753	1.1
109.06527	3.3
109.10144	2.4
113.62258	0.4
115.05476	1.1
117.07003	3.4
119.04943	1.0
119.08569	1.9
121.05706	0.9
121.06507	8.3
121.10137	1.7
123.08070	4.5
124.05170	1.1
125.05989	1.1
129.06996	1.8
131.08527	3.8
133.06494	0.9
133.10143	1.5
135.08026	2.2
135.11661	0.8
136.05190	2.4
137.05966	75.0
138.06329	0.9
139.07538	5.0
141.07004	0.6
143.08551	0.8
145.06491	2.4
145.10091	1.1
147.04440	0.6
147.08029	1.3
149.05989	1.0
149.07071	0.5
149.09610	1.6
151.07530	100.0
152.07875	1.5
153.09180	0.5
157.06526	0.5
159.08057	2.4
159.11720	0.8
160.05174	1.4
161.05942	2.3
161.09578	0.5
161.13158	0.8
162.06732	1.7
163.07542	8.7
163.11118	1.1
165.09120	2.3
167.07063	0.5
169.10037	1.2
173.09624	0.8
174.06757	1.7
175.06113	0.9
175.07539	11.6
175.14771	0.6
176.08279	2.3
177.09094	22.4
183.11734	0.9
187.07533	7.2
187.11098	1.0
188.08179	1.0
189.09082	4.2
191.07048	1.5
191.10652	38.5
193.08606	1.5
197.09789	0.6
200.08350	1.8
201.09067	2.6
203.10646	7.3
205.08858	0.4
205.12231	7.4
214.09860	1.3
215.10658	13.2
216.11424	1.6
217.12202	4.7
219.13766	1.4
229.12227	9.6
230.12849	0.6
231.13736	1.3
243.11377	0.5
243.13821	2.1
245.15393	1.0
257.15366	1.2
343.26440	0.9
367.26312	3.0
381.27762	1.0
385.27444	0.7
409.23727	0.7
411.25150	0.5
423.25101	0.8
437.26987	0.5
505.33090	22.5
506.33023	0.8
523.26935	2.8
523.33856	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.4
57.07079	3.9
57.68135	2.2
67.05483	5.4
69.07048	7.4
70.65686	2.8
79.05503	2.9
81.07055	7.0
83.01357	3.8
93.07027	2.4
95.08604	7.6
96.95186	2.6
98.22688	5.4
98.23375	10.8
100.92249	2.5
109.10192	4.5
121.06540	2.8
127.07453	2.4
130.26505	2.2
137.06000	3.4
145.73573	2.5
151.07526	8.1
161.65662	3.2
163.07613	3.7
175.07404	5.2
177.09084	6.5
189.09113	5.1
201.09123	6.4
204.07886	2.9
209.09669	4.8
211.07426	3.1
225.09123	8.7
226.09846	5.6
227.10661	3.4
236.08331	3.6
238.10007	4.8
239.10669	10.7
240.11404	5.5
241.08519	3.5
241.12158	7.6
243.13698	5.3
249.09149	4.7
251.10710	4.4
253.08601	10.2
253.12212	6.9
254.09407	8.1
254.12833	3.5
255.10182	9.9
255.14006	3.2
257.11804	3.2
263.10526	3.7
265.11975	3.0
266.09479	5.0
266.12973	2.9
267.10117	8.3
268.10880	14.6
269.11743	7.3
269.15274	3.8
271.09525	4.1
272.56793	2.9
279.10086	3.8
280.10992	3.6
281.11664	13.8
282.08917	9.4
282.12186	5.3
283.13129	4.6
284.10291	4.0
285.11252	4.4
293.07938	2.6
293.11691	3.0
294.08972	2.6
295.09894	4.7
295.13126	5.5
296.10681	4.3
296.13962	4.0
297.11258	15.9
297.14828	36.9
301.14291	5.2
303.13626	2.6
309.11060	6.7
309.14484	3.5
311.13000	3.0
311.16327	3.6
323.12872	3.7
325.14304	22.3
337.14233	3.7
449.30069	2.7
477.33633	21.5
505.33084	69.3
523.34515	100.0
524.02032	2.6
524.34900	2.9
535.95563	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40537	3.7
53.88642	3.4
55.05508	15.5
57.07064	4.4
67.05493	10.6
69.03412	7.6
69.07071	79.4
71.43542	4.5
79.05499	11.5
81.07054	38.3
83.08648	10.3
85.02915	8.4
90.28739	4.5
91.05492	5.2
93.07034	17.0
95.08595	27.4
97.02859	5.8
97.06516	3.8
99.08092	7.1
105.07022	5.3
107.08555	8.8
109.10166	19.0
111.11736	18.8
119.08613	11.4
121.02847	8.4
121.10146	7.7
123.04448	5.5
123.11723	18.0
127.11193	4.2
135.11679	4.9
137.05991	8.2
139.03918	11.2
139.11148	18.8
145.04939	3.6
147.11685	4.5
149.06038	4.8
149.13287	9.9
150.13622	4.1
151.07512	5.3
157.12213	5.4
161.06030	4.4
161.13304	5.6
165.05489	9.8
180.56635	3.9
191.10742	4.1
211.16936	4.3
212.17230	4.6
222.90627	3.5
289.25137	6.5
295.26340	37.6
307.26279	62.1
325.27280	20.3
437.21552	7.7
479.22708	24.2
523.21069	100.0
524.22052	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.05509	18.6
57.07074	5.2
59.57671	2.3
63.48695	2.1
67.05508	27.6
69.06702	4.5
69.07066	46.2
69.30860	4.1
69.31271	8.9
79.05490	18.7
81.07057	100.0
83.01328	6.7
83.08618	7.7
85.02940	2.9
91.05478	11.7
93.07065	18.5
95.04940	4.2
95.08613	38.5
102.22998	2.1
105.07040	29.3
107.08586	18.3
109.10164	27.5
117.07004	2.8
119.08594	20.6
121.06488	3.6
121.10149	11.0
123.08076	3.4
123.11713	11.5
125.05979	21.7
131.08549	5.7
133.10103	12.8
135.11685	5.9
137.05971	5.4
137.13275	7.8
139.07535	6.7
140.88675	2.2
143.08597	4.3
145.06421	3.0
145.10136	7.8
147.08003	5.1
147.11676	11.3
149.09586	2.7
151.07526	3.8
153.05476	46.7
157.10135	5.5
159.11694	4.5
161.05968	4.4
161.09619	4.3
161.13196	3.7
163.07504	4.8
167.07042	15.3
171.11719	2.7
173.09605	4.0
173.13269	2.6
175.07527	5.5
177.05553	2.7
177.09128	6.1
177.16296	3.4
179.07030	3.4
179.10675	8.8
179.17418	2.4
183.11769	3.3
185.09676	3.0
189.09053	4.6
191.10599	3.6
193.08566	6.2
198.13985	2.4
201.09091	3.3
203.10596	3.6
203.17928	12.7
217.12308	2.3
221.62915	2.3
251.14359	2.6
315.23093	4.3
319.22665	4.6
333.24564	2.5
371.25552	3.0
387.28882	16.5
437.34186	4.7
441.33627	2.7
449.34219	3.8
455.35257	5.0
467.35153	3.5
467.42447	3.5
477.41016	5.5
495.41953	3.2
505.40396	46.1
523.41437	52.4
524.41589	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	524.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03946	2.8
57.03434	3.2
58.13696	1.2
66.31160	1.1
69.03416	2.3
71.01360	2.9
73.02925	4.2
77.03926	2.5
79.05486	6.1
79.33748	1.2
81.07072	1.4
85.02902	9.0
85.72040	1.1
91.05479	9.0
95.04964	8.4
95.08596	1.3
97.02919	3.3
100.11271	1.5
101.02422	1.8
105.02680	2.8
105.03390	59.8
105.04532	2.9
105.07012	1.5
113.02392	2.4
123.04424	6.9
127.03934	1.3
135.04411	100.0
136.04799	1.5
139.03917	1.2
141.01839	2.2
153.05531	3.2
179.07021	41.6
183.96642	1.1
192.06985	1.3
276.16730	1.3
291.54755	1.3
295.76697	1.3
311.07559	15.7
355.10245	38.0
355.14380	2.1
480.22934	7.5
480.33530	2.2
481.24219	2.7
524.21930	38.2
524.28986	4.2
524.35614	3.1
525.23218	15.0
525.30707	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	524.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.8
57.03438	11.2
60.34611	1.1
61.02917	1.3
66.31992	1.2
69.03428	1.5
69.35414	6.3
71.04993	77.1
73.02938	1.9
75.04478	3.9
77.91763	1.0
79.30499	1.0
83.04967	12.2
85.02904	100.0
87.04515	1.5
94.15411	1.0
95.04988	3.5
97.02898	6.6
109.02882	1.4
111.04475	3.4
123.04447	2.4
127.03948	3.0
129.05478	46.1
136.78172	1.1
139.03896	1.2
140.04665	8.8
145.05005	2.7
147.06505	18.6
152.85564	1.1
155.07045	3.5
164.09193	3.9
181.04959	6.0
199.06009	16.9
223.06012	12.5
249.07590	1.4
255.08788	1.4
291.08569	2.1
327.10764	3.5
469.84717	1.3
479.89438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10122	0.4
53.03957	0.4
54.58387	0.4
55.01877	0.9
57.03429	1.2
61.02921	1.9
68.99808	1.0
69.03423	2.6
71.04990	0.4
73.02896	0.4
81.03418	1.4
81.07062	0.8
85.02908	15.3
85.03423	0.8
85.48534	0.3
91.03950	0.9
91.05482	1.1
97.02895	4.4
99.04462	0.8
109.02879	1.2
109.06518	2.9
119.04936	1.1
120.74539	0.4
121.06493	0.7
123.04429	17.3
126.46299	0.4
127.03919	4.2
136.06189	1.0
137.05980	59.2
145.04974	7.0
147.04407	0.8
161.05948	0.4
163.06041	2.4
165.05478	100.0
166.05804	1.2
169.04707	0.4
180.08670	0.5
183.06529	82.3
184.06863	0.9
189.05444	1.0
203.06902	0.6
207.06572	0.6
225.07454	0.8
231.06519	1.2
249.07509	1.7
273.07425	0.4
291.08588	0.4
309.09433	0.4
345.11917	0.9
439.77441	0.4
551.69800	0.4
552.51038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.18592	0.9
55.01868	3.1
55.05515	0.9
57.03444	4.4
59.05002	16.5
61.02924	7.9
67.05504	5.9
69.03427	18.2
69.29586	4.7
71.04986	3.3
73.02924	3.5
73.59196	0.9
79.05491	24.3
79.05956	1.8
81.03414	6.2
85.02902	100.0
86.59933	1.1
87.04470	1.5
91.03963	4.0
91.05463	11.4
93.07037	4.9
94.94140	0.9
95.04967	4.7
97.02888	26.1
97.03491	1.7
99.04459	2.7
102.23690	0.9
103.05478	1.2
105.03416	1.4
107.04950	20.5
107.08580	3.1
109.02883	8.9
109.10148	13.6
115.03935	1.1
119.08575	15.2
121.06487	2.4
123.04418	9.3
127.03909	23.2
131.04941	2.2
135.08067	2.0
137.05977	2.8
137.09598	10.0
145.04958	43.7
147.07983	4.5
149.05992	3.0
153.09093	6.8
163.06030	18.6
163.07387	1.8
165.09109	78.4
167.07121	5.6
173.06000	2.8
177.05486	2.9
179.07109	0.9
180.07840	1.4
181.08618	1.4
183.10173	18.1
191.07036	2.9
192.07724	2.7
201.05414	1.0
204.04230	2.2
209.08107	4.3
219.06480	6.8
249.07712	1.2
262.13562	1.1
285.96085	0.9
309.13281	3.3
325.11234	3.1
327.14349	9.0
345.15353	3.0
373.12753	1.4
495.18231	0.9
535.89868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52635	9.8
67.05510	20.6
71.40875	15.1
73.06590	10.9
79.05491	22.4
81.07062	29.2
85.06543	12.4
91.05478	11.7
93.07040	33.8
95.08603	19.3
98.64003	9.4
107.08580	13.3
109.10149	16.9
115.07542	13.8
118.58862	11.3
119.08566	10.9
129.05467	16.2
143.07043	44.4
149.71304	10.2
151.07520	11.6
166.06299	22.4
167.07047	18.7
168.07794	15.8
169.04887	23.0
181.08588	100.0
182.05731	26.6
183.06613	16.5
184.07285	60.7
197.08081	34.1
199.09593	21.6
304.75854	10.0
334.59918	10.5
388.19446	10.9
415.28418	26.0
418.51260	12.8
443.27905	58.1
475.30603	71.1
476.30832	18.2
507.33347	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61458	1.1
55.05513	3.5
57.03436	3.1
57.07076	20.9
61.02922	3.7
67.05502	5.7
69.07072	7.8
71.08628	17.2
75.04500	1.2
76.34348	1.2
79.64366	1.2
81.07057	9.4
83.08614	9.3
85.02898	3.0
85.10182	11.1
87.78537	1.5
91.03944	2.1
91.05457	1.3
93.07031	1.2
95.05023	1.2
95.08607	14.1
96.92260	1.3
97.02908	2.1
97.10197	3.6
98.71343	1.2
101.11593	1.2
104.05250	1.1
105.07034	1.4
107.08608	1.4
109.10146	8.3
121.10110	1.3
123.11712	5.3
125.13284	1.9
130.34258	1.2
135.08031	1.3
135.11713	1.7
139.07574	1.4
151.07578	2.3
165.09126	4.3
167.07085	1.9
172.95216	1.2
210.97763	1.2
239.23688	22.8
257.24707	1.8
313.27350	100.0
314.27719	3.9
331.28412	28.2
457.25693	3.4
507.29663	2.5
524.23950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12405	1.8
55.05507	7.5
57.03434	4.2
57.07078	41.7
61.02936	4.2
67.05507	14.1
69.07066	9.0
71.05039	2.0
71.08630	34.1
71.42811	2.0
75.04495	3.1
79.05476	3.9
81.03457	3.1
81.07058	16.8
83.08636	12.8
83.09076	2.5
85.02905	5.1
85.10200	14.7
85.10619	2.3
89.05991	2.1
93.07046	4.0
95.08607	28.0
97.02895	2.3
97.10175	10.8
109.10175	11.5
111.11700	3.7
123.11708	5.9
125.13248	3.1
137.13213	3.7
143.66324	2.1
163.81859	1.9
182.03633	2.0
184.07349	3.5
196.48199	2.1
253.25281	35.4
271.26324	3.6
287.72321	2.0
319.54462	2.0
327.28934	100.0
328.29071	3.1
331.95560	2.3
345.29971	20.8
524.24878	30.8
524.40155	3.8
525.24854	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	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.0
57.03432	16.4
67.05161	9.3
67.05501	100.0
69.07070	9.5
69.36642	19.6
78.57207	4.6
79.05476	25.6
81.07054	41.5
83.08603	8.1
91.05485	13.1
93.07023	24.1
94.36073	4.7
95.04960	6.7
95.08619	29.9
102.42905	4.8
105.07016	6.7
107.08592	14.8
109.10147	75.2
111.08062	7.8
119.08584	9.2
121.10142	10.9
123.11698	5.9
131.08534	6.8
133.10089	7.7
135.11682	9.9
149.13248	5.3
160.82655	4.9
173.11737	22.1
229.14352	90.1
261.22098	11.7
295.22540	5.3
335.25833	81.2
463.99237	5.4
474.62347	5.4
489.35831	36.6
497.92810	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	524.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.9
57.07067	19.9
64.72569	7.2
67.05502	30.3
68.74875	6.4
69.07061	34.7
71.05008	7.3
79.05473	10.4
81.07056	54.5
83.08599	8.3
89.06001	16.5
89.10137	5.8
91.05477	18.6
93.07036	45.6
95.04951	7.9
95.08596	78.9
97.10163	10.0
99.08099	40.5
105.07035	27.6
107.08603	51.0
107.49625	6.3
109.06510	9.1
109.10155	100.0
117.07008	8.9
119.08569	27.1
121.06512	17.5
121.10143	81.5
123.08018	8.6
123.11707	54.8
127.11133	7.7
129.07004	7.9
131.08577	16.4
133.10133	23.8
135.08098	8.4
135.11678	54.2
137.06003	13.6
137.09657	7.6
137.13255	14.5
139.11188	10.5
143.08488	7.2
145.10107	17.8
147.08035	19.2
147.11684	21.3
149.13280	15.4
153.05345	7.4
157.10170	7.8
159.11697	13.9
160.06711	6.7
161.09657	9.0
161.13266	17.2
163.07555	13.5
163.11180	14.3
163.14761	15.1
165.12737	9.7
171.11739	17.7
173.09650	8.2
173.13260	8.2
177.09071	7.2
177.12865	7.1
187.11246	6.7
187.14815	9.1
189.12787	10.7
205.19527	19.7
217.12209	15.1
231.13774	14.4
240.19591	7.0
253.19292	7.9
301.03476	6.4
301.21606	13.0
315.17972	22.9
327.23129	8.0
345.24088	9.6
427.31152	21.2
437.34137	32.8
453.33163	10.2
455.35333	18.9
473.36255	17.2
525.29700	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	6.7
63.25885	2.6
75.58379	3.6
80.96953	3.0
98.97565	21.6
100.11237	5.9
107.91974	3.1
109.10210	3.7
110.97524	3.4
116.98573	9.3
128.98604	3.3
158.99603	9.3
175.71672	3.0
177.00719	4.3
194.32477	3.1
219.01767	5.6
237.02817	6.9
259.29828	2.9
322.81934	3.2
337.16681	5.6
358.39200	3.1
379.18179	3.7
415.90811	3.1
439.22696	10.5
457.21100	22.0
458.85901	3.0
475.22037	5.8
481.23624	19.4
499.21860	6.9
507.21268	6.8
525.16699	52.1
525.22571	100.0
529.75500	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	525.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	1.5
85.02887	1.1
93.07041	1.5
96.03045	0.8
98.97562	1.1
99.31973	0.8
105.07040	0.9
117.07020	0.9
120.08101	1.1
121.10136	1.0
127.59117	0.8
137.06047	1.2
151.07506	2.0
189.09137	0.9
231.13895	1.4
244.20171	0.8
245.06415	1.9
259.16901	1.0
277.17740	2.7
287.03809	1.3
289.05301	4.2
308.91739	0.8
315.09048	0.8
317.08322	1.8
421.21240	1.3
439.23123	7.7
463.22638	2.7
481.24225	16.6
507.21854	7.2
525.19708	100.0
526.20026	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	525.2085
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
53.12521	2.1
54.32643	1.9
56.96568	10.3
57.79367	1.9
60.13432	1.9
67.17268	2.2
69.30212	11.2
71.83816	2.0
84.96032	6.9
98.97586	52.2
110.97561	2.6
112.99138	7.9
115.34514	1.9
116.98605	19.4
131.00195	10.6
134.99690	3.5
141.39728	2.2
149.01212	2.4
158.99635	15.4
162.99307	2.4
173.01257	9.0
174.44360	2.2
177.00720	11.7
191.02306	5.8
197.13161	2.5
201.00732	4.5
207.72911	2.1
219.01791	4.8
237.02895	5.0
277.14890	2.2
295.15820	3.7
319.15781	29.1
337.16940	7.0
360.18353	3.6
361.16907	7.3
391.18024	2.6
439.20032	20.8
457.20825	4.2
481.21185	26.9
499.22238	6.0
525.21057	100.0
525.29919	4.3
526.20709	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	525.2097
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
65.03355	0.8
69.17259	4.9
98.22719	2.0
98.97600	1.8
114.40425	0.8
116.98634	0.9
174.33163	0.8
197.13216	1.4
271.58618	0.9
283.32858	0.9
295.16116	0.9
317.08408	1.2
321.76575	0.8
353.96286	0.9
403.08572	0.8
439.20029	2.4
481.21890	5.7
525.21429	100.0
526.21600	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	525.2083
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
56.96568	9.1
58.21135	1.6
69.18729	7.0
72.03269	1.8
73.14504	1.5
79.61317	1.5
84.96029	5.1
98.97577	47.3
110.97578	2.7
112.99143	8.5
116.98618	14.9
131.00154	8.3
134.99654	3.4
137.12978	1.7
144.98154	1.8
149.01270	5.1
158.99670	11.2
169.73695	1.8
173.01208	9.3
173.57582	1.9
177.00668	8.4
191.02269	4.9
201.00748	3.4
219.01845	3.7
237.02888	2.8
277.14774	2.3
277.17706	2.3
319.15833	43.8
333.17273	3.9
337.16846	7.5
360.18115	1.8
361.16833	11.2
391.17883	1.7
439.19949	13.3
457.20657	3.8
481.21115	14.8
507.19748	2.5
525.21051	100.0
525.29480	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	525.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14897	2.9
77.26945	0.4
79.05492	1.1
83.04967	0.5
91.05515	0.8
93.07052	1.3
105.07005	0.7
107.08606	0.8
115.01139	0.5
117.07027	0.5
137.05978	2.5
145.02831	0.8
151.07549	3.0
162.65720	0.5
163.07593	0.8
166.04626	0.5
177.05452	0.7
177.09135	0.9
179.06987	0.7
181.04958	3.3
227.05348	1.2
243.04892	0.6
245.06377	0.8
259.16675	1.1
277.17743	2.9
287.03845	1.0
289.05328	2.2
295.08459	0.8
341.17664	0.6
419.10446	0.5
421.21817	0.8
439.23016	9.4
463.22934	2.4
481.14316	1.2
481.24060	15.9
486.70154	0.5
507.22150	3.4
525.14044	6.6
525.23022	100.0
526.15338	0.5
526.23242	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	525.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58504	0.3
65.99123	0.3
67.05523	0.3
69.29411	0.8
69.29820	0.9
78.39259	0.4
90.47694	0.3
91.05499	0.4
93.07035	0.5
98.97630	0.4
137.94070	0.4
151.07578	1.2
152.67799	0.4
162.84648	0.3
182.30716	0.3
213.73206	0.4
215.56407	0.3
259.16782	0.5
271.04056	0.7
277.17822	2.9
305.17255	0.7
338.15372	0.4
344.51154	0.4
421.22086	1.1
437.54166	0.4
439.23093	9.2
463.23376	1.6
481.24091	23.7
482.24799	1.1
503.93704	0.4
507.21860	2.0
525.23047	100.0
526.23413	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	525.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72319	0.2
67.07072	0.3
70.70543	0.5
72.50306	0.3
81.07034	0.4
85.29429	0.2
86.71535	0.3
93.07054	0.3
95.03883	0.2
104.13499	0.3
105.07021	0.3
121.02858	0.4
131.08617	0.3
134.37732	0.3
151.07559	1.0
156.07205	0.3
185.04327	0.3
243.04770	0.4
245.06355	0.9
259.16782	1.1
271.04187	0.4
277.10468	3.1
277.17749	4.5
287.03601	0.3
289.05377	1.0
305.17242	2.3
319.18729	0.6
393.18655	0.6
421.22073	1.7
439.23074	15.4
440.23441	0.7
449.97684	0.3
457.20740	0.3
463.23032	0.8
481.17441	1.2
481.24066	32.4
482.24503	1.6
525.16504	3.8
525.23090	100.0
526.23401	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	525.2309
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
69.27565	2.1
79.05495	0.8
81.07056	0.6
88.86819	0.4
93.07040	0.8
98.97611	0.5
119.08566	0.5
151.07596	0.8
197.33353	0.5
228.85173	0.4
243.04755	0.8
244.29582	0.5
245.06444	0.9
259.16821	0.9
277.17761	4.2
287.03848	0.7
289.05350	1.7
316.45667	0.5
421.22028	2.3
439.23001	7.2
461.93188	0.4
463.23087	2.2
481.24039	26.8
482.24741	0.9
507.21872	3.1
525.23175	100.0
526.23389	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	525.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	0.6
69.07084	0.8
70.89150	0.6
71.04990	1.3
79.05496	1.1
81.03432	0.7
81.07059	1.7
85.06543	0.9
86.45509	0.6
91.05470	1.1
93.07034	0.7
95.08627	1.1
98.97601	0.7
99.08081	1.0
107.08649	0.9
111.08089	0.5
119.08556	0.7
127.11235	1.0
127.38409	0.6
133.10077	0.6
135.11690	0.6
144.45329	0.6
149.09464	2.0
151.11214	0.6
166.53041	0.5
245.06314	1.1
259.16751	8.9
265.72125	0.5
277.17770	10.4
277.20627	1.1
289.05322	1.4
305.17221	2.9
319.18738	0.6
339.09024	0.6
392.68643	0.5
421.22070	3.1
439.23035	26.2
440.23499	0.8
481.24094	44.6
482.24500	2.3
525.23090	100.0
526.23456	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	525.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08580	0.4
67.05516	0.5
69.07075	0.5
70.50749	0.5
79.05479	0.5
81.07091	0.9
82.91021	0.4
91.05497	0.6
95.08605	0.6
98.97589	0.7
107.08582	0.7
112.99136	0.6
116.98579	0.5
119.08685	0.4
121.10182	0.5
129.07111	0.5
131.08554	0.5
134.40120	0.4
139.03880	0.5
151.03947	0.4
151.07555	0.8
158.99648	0.5
174.06703	0.5
181.04758	0.5
189.09106	1.0
202.09546	0.6
215.19525	0.4
219.10124	4.0
220.10493	3.2
227.05357	0.4
245.06290	1.0
259.16739	1.9
261.18320	2.5
277.17715	6.7
287.03732	2.3
289.05322	2.2
317.08347	0.8
421.22018	2.0
439.23199	9.0
440.23367	0.5
445.21762	0.5
463.23032	3.6
481.24158	20.5
482.24271	0.8
507.22049	3.0
525.23627	100.0
526.24030	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	525.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43725	0.6
55.01897	0.7
55.05532	0.6
67.05518	0.9
81.07066	0.9
85.02921	2.4
91.05464	0.9
95.08614	0.7
100.29060	0.7
105.07045	1.2
121.02880	1.3
137.05998	1.6
139.03886	1.1
145.04909	0.7
147.11703	0.7
151.03931	5.1
157.82300	0.6
177.44409	0.6
181.05057	0.9
183.13881	0.9
227.05212	3.1
259.14648	0.7
271.04227	0.8
277.17914	0.8
289.05408	1.5
374.60876	0.7
439.22900	6.7
463.23285	1.5
481.24066	18.5
481.30893	1.1
486.01163	0.6
507.22202	2.3
525.23199	100.0
526.23547	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	525.2309
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
50.43725	0.6
55.01897	0.7
55.05532	0.6
67.05518	0.9
81.07066	0.9
85.02921	2.4
91.05464	0.9
95.08614	0.7
100.29060	0.7
105.07045	1.2
121.02880	1.3
137.05998	1.6
139.03886	1.1
145.04909	0.7
147.11703	0.7
151.03931	5.1
157.82300	0.6
177.44409	0.6
181.05057	0.9
183.13881	0.9
227.05212	3.1
259.14648	0.7
271.04227	0.8
277.17914	0.8
289.05408	1.5
374.60876	0.7
439.22900	6.7
463.23285	1.5
481.24066	18.5
481.30893	1.1
486.01163	0.6
507.22202	2.3
525.23199	100.0
526.23547	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	525.2461
Annotation	Saucerneol C
Peak:m/z	Relative Intensity
55.05526	0.4
60.54450	0.3
67.05510	0.3
69.07068	0.3
69.25788	1.2
70.89581	0.3
81.07043	0.4
82.89007	0.4
89.06066	0.4
95.08634	0.4
109.10206	0.6
121.10114	0.6
151.05795	0.3
272.69833	0.3
339.09250	0.4
497.25177	1.2
511.31110	0.3
525.24579	100.0
526.24884	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	525.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42419	0.3
79.53648	0.3
80.02832	0.3
92.67798	0.3
121.13922	0.3
137.05995	0.6
148.99635	0.4
151.07582	1.4
153.05489	0.3
167.07033	0.6
192.22009	0.3
237.82681	0.3
399.10361	0.4
426.24933	0.4
472.95468	0.4
510.25598	0.7
525.28217	100.0
526.28357	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	525.2885
Annotation	Fellutanine D
Peak:m/z	Relative Intensity
57.25420	0.1
69.03447	0.2
69.77576	0.4
70.20092	0.1
79.05470	0.2
79.91703	0.1
80.42159	0.1
84.00732	0.1
85.02932	0.2
85.06492	0.1
87.76551	0.1
92.09116	0.1
93.07065	0.2
97.02898	0.2
102.02544	0.1
105.07061	0.2
119.08551	0.1
137.02351	0.9
137.06021	0.4
138.02687	0.2
139.03912	0.2
150.95572	0.1
151.03914	0.2
155.03375	0.2
161.67281	0.1
163.07550	0.2
167.03413	0.3
167.07101	0.2
168.03818	0.2
175.07423	0.2
177.05452	0.3
188.91415	0.1
189.09283	0.2
199.13277	0.2
219.10252	0.4
264.14447	0.2
282.15768	0.2
289.05374	0.2
295.10202	0.1
327.13342	0.2
368.05463	0.1
481.24094	0.3
482.22711	0.3
525.28864	100.0
526.29321	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	525.3193
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
63.77146	0.3
67.05486	0.6
69.20125	1.5
79.05498	0.6
81.07051	0.4
89.06059	0.4
93.07059	0.8
95.08571	0.6
98.23097	1.9
105.07053	0.6
119.08575	0.5
131.08586	0.5
137.05968	0.6
139.07516	2.7
151.07571	1.4
167.07037	4.2
167.08392	0.6
190.31270	0.3
193.08607	0.5
207.10179	0.4
208.31009	0.4
233.11742	0.9
323.19769	0.4
423.25012	17.3
424.25131	0.4
493.29446	2.4
497.31421	0.5
507.30801	0.5
525.31885	100.0
526.32092	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	525.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67144	0.9
51.28113	0.9
66.44016	0.9
67.05511	3.8
69.36080	4.8
79.05491	4.6
81.07063	3.3
91.05477	2.3
93.07086	2.0
95.04996	1.0
95.08624	2.5
98.23463	2.0
105.07026	1.8
107.04976	5.2
115.05435	0.9
119.08586	1.2
121.06522	1.8
121.10150	2.2
123.04430	27.2
123.05266	1.7
125.06001	1.8
133.06514	1.0
137.06000	8.1
139.07484	1.4
139.88362	1.3
147.04453	4.4
148.05193	5.7
149.05994	7.6
151.07594	2.7
153.05531	4.4
160.05238	3.1
161.05984	28.9
161.09695	3.4
162.06667	1.1
163.07599	4.1
166.06337	1.9
167.03484	1.0
167.07082	4.1
168.07814	1.3
169.05026	3.9
173.06033	2.6
174.06819	2.1
175.07570	6.9
177.09181	3.0
181.04967	20.5
181.08604	2.4
182.05766	3.2
183.06601	3.0
184.07339	10.4
187.07574	2.9
189.09108	100.0
190.09555	1.4
196.07327	36.8
197.08127	3.3
198.08965	3.1
199.09698	2.5
201.09105	6.3
203.10677	43.1
204.11284	1.1
207.10214	2.0
211.09663	19.3
215.10718	2.6
217.12245	5.4
229.12357	4.3
231.13947	2.9
243.13908	2.2
327.23322	1.7
327.72256	1.2
370.57635	1.0
388.50079	1.1
417.22916	2.3
493.29630	4.8
494.30267	1.4
507.26880	2.4
525.32245	55.0
526.32416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44942	1.2
55.01883	2.8
55.05511	5.7
57.07084	3.5
59.04995	2.1
67.05507	13.1
67.81026	1.3
67.93497	1.1
69.03448	2.7
69.07070	25.7
70.41780	1.3
71.04999	1.5
71.08646	2.6
79.05489	8.6
81.03442	1.8
81.07060	48.1
81.67878	1.1
83.05016	1.3
83.08622	9.1
85.02925	3.8
85.06567	8.1
91.05510	4.0
93.07050	14.0
95.04964	2.0
95.08607	37.3
97.02901	1.5
97.06541	3.5
97.10235	2.3
98.97627	1.5
99.08121	4.4
105.07075	3.7
107.08596	13.8
108.37352	1.2
109.06522	1.4
109.10165	14.5
111.08108	7.6
111.11719	7.3
119.08622	4.2
121.10144	8.6
123.11717	16.5
125.13371	1.5
127.11200	2.6
131.08572	2.8
133.08528	1.3
133.10191	3.7
135.11693	7.5
137.06070	2.9
137.13251	15.4
139.03946	2.1
139.11203	2.3
147.11740	2.8
149.13232	12.2
153.12746	9.0
155.14345	3.4
161.13327	2.1
163.14899	5.4
167.14381	4.2
171.13852	1.8
173.15442	2.4
177.16435	2.4
181.23604	1.2
182.37294	1.2
185.04314	1.4
239.23808	2.7
245.06480	2.5
259.16736	1.8
261.18430	3.0
277.17822	4.5
279.26907	2.7
287.03946	3.9
289.05316	10.2
291.26807	11.2
297.28021	3.9
309.27902	23.9
315.29068	3.4
327.29147	4.7
345.30191	4.1
439.23203	4.6
457.21042	2.2
481.24438	17.2
507.22287	3.0
525.23242	100.0
526.23743	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	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05513	8.9
57.03442	2.1
57.07074	6.2
67.05151	1.4
67.05506	15.2
69.03431	2.9
69.04533	1.4
69.07067	21.2
71.04993	2.3
79.05498	10.7
81.07056	52.3
83.08616	8.6
85.02882	4.9
85.06540	22.3
91.05479	3.1
91.33361	1.1
93.07044	18.5
95.04981	1.6
95.08608	34.7
97.02910	1.9
97.06515	2.1
97.10172	5.5
99.04465	1.0
99.08099	10.3
105.01867	1.4
105.07029	5.4
107.08595	24.1
109.06511	2.1
109.10154	22.4
111.08086	3.5
111.11749	3.5
113.09647	1.9
119.08588	4.4
121.10149	12.8
123.11702	15.6
125.09649	3.0
125.13313	1.2
127.03947	2.1
127.11188	2.1
133.10153	3.3
135.08083	0.9
135.11708	9.5
137.05997	2.2
137.09746	1.0
137.13261	9.0
139.11195	3.0
145.10168	1.7
147.04398	1.1
147.11691	3.1
149.13258	17.0
151.14842	3.6
153.12726	5.0
157.10150	1.0
161.06046	0.9
161.13284	1.8
163.04022	1.2
163.07556	1.5
163.14813	8.3
167.14369	2.6
171.13896	1.4
175.07591	1.1
175.14845	1.1
177.16351	6.8
181.04961	4.8
182.15440	1.2
183.06578	0.9
189.09047	1.3
191.18047	2.5
195.06566	5.2
195.17523	2.8
210.14938	1.2
213.18477	9.3
217.19576	1.6
223.09651	9.1
227.05104	2.1
235.20541	1.4
237.11253	1.4
245.06451	1.6
249.11098	1.3
251.09267	1.8
273.25781	2.5
277.17606	2.1
279.26669	4.5
287.03702	1.1
289.05319	3.8
291.26785	17.8
292.53156	1.1
297.27917	7.1
309.27893	21.4
319.74417	1.0
327.13562	1.0
327.28864	8.4
333.17172	1.2
345.30106	4.9
421.21429	1.2
439.23105	9.3
443.28177	1.2
453.26743	1.5
461.29037	1.6
463.23129	1.9
471.27676	2.2
481.24097	22.9
482.23648	3.4
489.28476	5.0
507.21964	2.8
507.29608	4.5
524.77283	2.2
525.23132	100.0
525.29291	3.8
526.23907	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	525.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.3
66.67096	12.8
67.05505	36.6
67.11996	15.3
69.07059	46.4
69.36953	30.6
69.37339	28.0
70.71293	11.0
71.08620	40.3
79.05492	25.4
81.07072	69.6
93.07037	26.7
95.04915	12.7
95.08598	38.2
99.08118	33.6
105.06989	44.4
107.08588	18.4
108.24219	11.8
109.10136	66.5
119.08549	36.6
121.10118	15.1
126.18855	12.1
131.08577	33.2
133.10129	20.2
139.03983	16.0
145.10168	17.9
153.05461	25.3
323.43713	14.0
377.31854	14.2
466.73349	13.8
479.39053	31.1
489.36905	21.3
507.38266	100.0
525.39642	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.8
55.01867	2.2
57.03429	1.9
61.02918	1.6
65.03945	2.8
66.64827	0.4
67.05502	1.1
68.10237	0.4
68.99789	1.2
69.03429	5.8
69.26736	2.3
71.04982	2.3
73.02916	2.3
78.12077	0.4
81.03418	8.1
81.07053	1.5
83.01363	0.5
83.04945	0.6
83.08601	0.6
83.18396	0.4
85.02904	21.3
85.34721	0.5
87.00826	10.1
89.17240	0.5
90.35166	0.6
91.05479	100.0
92.05808	1.4
94.04761	0.4
95.08637	1.3
97.02892	13.7
98.23398	1.1
99.04439	3.7
105.01862	7.9
105.07046	0.9
109.02876	7.2
109.10132	0.7
110.92255	0.6
112.93540	0.5
115.03950	0.7
117.01836	1.1
127.03914	19.1
129.01892	0.9
129.06946	0.5
133.10155	0.8
145.04968	10.9
145.10214	0.5
147.02882	0.6
153.01820	1.0
159.02864	6.2
165.01869	0.6
183.02888	5.2
195.02899	1.5
197.19028	1.2
213.03918	1.3
217.08760	0.5
219.02922	0.8
231.05038	3.1
237.03949	0.5
243.02913	0.8
243.06563	0.7
243.19551	0.9
261.04001	1.1
261.07571	3.7
267.06448	0.5
285.07568	5.2
303.08676	0.6
309.07303	0.6
327.08517	2.3
345.27798	0.5
351.08768	1.1
369.09845	1.2
440.23495	1.8
455.09619	1.1
481.23990	0.8
482.24518	4.0
525.30450	0.7
526.23352	12.3
526.30609	1.3
527.24445	1.5
531.92706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47299	0.3
55.01857	0.5
55.05507	0.5
57.03439	0.5
65.03936	1.2
65.41056	0.3
67.05495	1.1
69.03426	0.4
71.44344	0.4
81.03404	0.8
85.02906	4.6
91.05486	0.5
93.03379	0.8
95.04965	0.9
100.11249	1.0
103.03947	1.9
105.52014	0.3
108.02095	1.2
109.02880	1.2
111.04461	0.9
125.05988	0.9
127.03904	0.4
137.05978	1.0
141.05458	1.4
147.08035	0.3
151.03903	100.0
151.04982	6.9
152.04268	0.9
161.05980	6.0
169.04984	3.3
171.06557	0.3
171.08055	0.9
175.07529	1.6
177.05492	0.4
179.07027	0.7
181.04956	3.2
181.12245	0.3
182.05315	0.8
182.15453	0.4
183.05493	0.7
185.09578	0.3
189.09128	0.5
195.08086	0.3
195.44708	0.3
199.07529	3.3
203.07010	4.4
209.16496	0.5
210.14876	0.7
211.05989	5.6
213.09085	1.2
215.07005	0.7
217.08620	1.2
221.08069	4.0
227.07014	2.4
233.04617	0.4
233.08226	0.6
241.08601	1.4
245.08105	1.5
251.05414	0.5
253.07079	6.2
259.09683	0.9
260.00586	0.4
261.96915	0.3
263.09152	1.8
269.08139	1.1
287.09119	17.0
295.08173	0.4
305.10107	2.0
313.09277	2.4
340.32867	0.4
370.20667	0.3
398.83929	0.3
419.96463	0.3
444.82681	0.4
455.13199	0.6
478.92645	0.3
526.15692	0.7
526.23145	1.0
527.20996	1.0
538.43762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14373	0.3
53.03939	0.6
55.01868	0.7
55.05499	0.4
57.03431	0.6
61.02920	0.7
65.03936	0.5
67.05509	4.3
69.03428	4.2
71.04981	0.6
79.05484	1.1
81.03416	7.1
81.07008	0.5
82.07236	0.4
83.01337	1.7
83.08611	0.3
85.02901	4.9
95.04968	3.2
97.02897	7.1
99.04453	1.3
100.11254	1.2
103.03946	1.6
105.03405	0.7
105.07028	0.3
107.04959	2.8
107.08605	0.4
109.02871	3.2
114.09161	1.3
115.21564	0.4
121.06486	0.3
123.04449	1.9
125.05992	5.3
127.03922	3.9
135.05527	0.6
137.02385	0.8
137.05968	7.3
141.05464	10.4
142.08630	0.7
142.12221	0.6
145.04961	2.9
151.03903	100.0
151.07390	2.8
152.04240	1.7
161.05965	3.5
163.07512	0.7
165.05466	0.6
167.10692	0.4
169.04959	18.5
175.07571	1.0
179.07037	6.2
181.04936	0.9
182.15425	0.7
189.09079	0.4
191.07133	0.7
193.05005	2.2
197.08086	1.8
199.07492	0.8
203.07037	3.7
205.04880	0.7
208.09686	0.8
210.14885	1.2
211.06024	3.2
217.04999	0.6
217.08626	0.8
221.08096	4.8
227.07010	0.9
229.08626	0.4
235.06035	2.3
245.08185	0.6
253.07141	2.7
258.21811	0.3
259.06094	0.5
259.09305	0.3
261.07544	0.5
263.09088	1.9
269.07944	0.4
277.06955	0.5
287.09131	6.9
295.08105	13.5
305.10336	0.9
313.09167	16.1
314.09515	0.6
365.55994	0.4
368.25616	0.4
385.31735	0.4
464.23419	0.4
480.53964	0.4
508.23032	0.6
526.23828	3.2
526.39520	2.3
527.26691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01864	0.6
55.05477	0.4
56.68948	0.4
57.03440	0.6
65.03931	1.3
67.05499	1.1
69.03436	2.2
69.79691	1.1
70.06593	0.5
71.04991	0.7
79.05491	0.5
81.03410	5.9
81.07043	0.5
85.02903	4.9
91.05476	0.7
93.03410	2.3
93.07044	0.6
95.04979	0.8
97.02882	4.1
99.04432	0.7
103.03954	0.5
107.08591	1.0
108.02092	0.9
109.02865	2.7
111.04439	3.1
120.27611	0.4
121.10120	0.9
123.04529	0.5
125.05972	3.2
127.03911	1.8
131.04884	0.5
132.03618	0.4
134.66196	0.4
136.01581	0.4
137.02345	4.9
137.03383	0.7
137.05966	4.2
139.03902	1.4
141.05447	1.7
145.04936	1.3
149.13271	1.2
151.03897	100.0
151.04945	5.8
152.04225	1.1
155.03365	0.8
161.05984	1.1
163.07510	0.7
167.03348	1.1
167.14308	1.0
168.03741	0.6
169.04953	13.0
175.07524	0.5
177.05484	0.6
179.07001	1.1
181.04953	0.8
185.11728	0.5
185.15343	2.3
197.08153	0.5
203.06923	0.6
203.93929	0.5
211.06020	1.1
221.08023	0.7
253.07053	1.4
263.09265	0.5
287.09195	2.5
293.07968	0.5
295.08090	6.7
299.07480	0.6
305.10114	0.6
313.09137	10.0
482.24368	0.5
526.24072	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	526.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.9
59.04996	2.4
61.02892	1.6
67.05511	1.8
69.03427	4.3
69.07064	1.7
69.76637	2.4
69.76983	2.2
71.04990	2.2
73.02898	1.0
74.97551	1.2
79.05486	2.4
81.03417	5.2
81.07030	5.8
85.02903	23.4
85.03411	1.5
91.05479	2.4
94.06569	1.1
95.04962	3.4
97.02888	6.5
97.06525	5.3
99.04420	1.1
100.49821	1.1
103.05446	1.1
105.07029	1.5
107.08571	1.4
108.08098	1.7
109.02856	2.5
109.06519	3.2
110.06052	1.3
115.94678	1.0
119.08610	1.1
121.10121	4.9
122.03624	1.6
123.04401	1.9
127.03886	7.4
127.07551	4.1
133.06458	1.3
134.06007	2.7
137.02313	1.3
137.05956	10.9
138.06302	3.1
145.04939	11.9
146.05988	4.3
149.09602	2.5
152.07048	17.0
156.10245	1.3
162.09181	1.2
163.06027	5.8
163.07426	1.8
164.07916	1.2
166.08653	2.9
167.10690	11.3
172.07446	1.1
175.07559	1.2
177.05498	1.5
180.06470	1.2
185.11710	3.4
194.08125	20.9
194.09792	2.1
196.09807	1.2
197.10693	1.1
211.12263	3.2
219.10115	1.3
222.11305	6.5
224.09303	1.7
225.10204	6.4
226.11002	3.7
237.10144	2.6
238.10991	2.6
239.11780	17.5
240.12418	2.7
241.13321	3.3
249.10953	1.3
251.11763	1.7
252.12611	1.6
253.09659	8.3
253.13336	7.3
254.10486	3.2
263.11774	1.4
265.09732	2.4
265.13293	1.2
266.10394	1.8
267.11279	15.1
267.15863	3.0
269.12817	6.6
271.14273	1.9
279.11340	2.4
280.11960	2.2
281.12805	11.3
293.12955	1.8
297.12634	1.5
298.13171	2.9
299.13904	16.5
308.11584	1.8
309.12393	4.4
311.10410	1.8
311.13876	5.3
312.10883	4.2
313.15442	3.8
323.13834	1.1
324.51367	1.1
325.11520	2.5
326.12558	8.2
327.13342	55.1
339.13336	16.3
340.14014	1.2
341.14932	47.5
342.15729	8.3
353.11212	1.3
367.12875	18.3
368.13330	1.4
482.22836	100.0
483.23364	2.6
508.13885	1.7
508.20761	21.7
509.21005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
57.03429	6.2
57.07061	1.8
58.82179	2.0
59.05003	3.1
61.02917	5.9
69.03431	11.7
69.07059	2.5
70.24738	6.0
73.02910	10.6
79.05482	9.5
81.03412	5.2
81.07053	22.4
81.37918	1.9
83.08630	3.2
85.02902	51.3
85.03409	2.7
91.03944	2.7
91.05470	5.0
93.07038	20.8
95.04970	3.0
95.08593	14.0
97.02887	15.3
97.06559	4.1
99.04470	2.5
103.05471	3.7
105.07038	7.0
107.08608	7.8
109.02879	4.7
111.04485	2.3
115.03880	2.0
115.05463	2.7
121.10146	100.0
122.03644	4.1
123.08034	2.4
123.11699	20.6
125.05986	7.1
127.03947	11.4
129.07002	5.3
131.04921	2.4
132.13614	2.1
137.05977	89.9
138.06337	5.5
138.24617	2.0
139.11162	12.2
143.04906	4.0
145.04947	15.7
149.09583	11.2
149.13223	13.0
151.07576	8.6
152.12787	2.3
159.04678	2.2
160.05186	4.8
163.06018	8.4
163.07516	6.5
164.07878	2.5
167.10677	53.7
167.14326	9.0
175.07529	34.1
185.11717	4.8
187.07530	22.3
189.09140	6.9
201.09091	5.9
205.08624	7.3
217.08505	4.0
219.08128	2.3
231.07968	2.8
235.09689	6.8
247.07643	2.1
263.10553	3.3
271.09665	3.2
279.10321	3.6
291.10089	5.8
292.11002	2.4
293.08173	2.2
296.10464	2.6
311.12198	2.8
311.15195	4.3
323.12860	10.9
325.14493	9.3
329.15829	4.5
341.13821	20.4
461.05939	2.3
526.23370	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	526.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05515	2.0
55.74258	0.5
57.03436	9.3
59.04980	0.8
61.02925	1.1
69.03423	2.4
70.06578	0.9
71.01352	1.3
71.04991	70.8
71.42818	0.6
73.02908	1.8
75.04481	4.5
80.03767	0.6
80.22166	0.7
81.07037	1.4
83.04984	6.7
85.02901	100.0
87.04464	2.3
91.04937	1.2
91.05479	11.6
93.07059	1.2
95.08627	0.8
97.02897	3.4
99.04464	1.8
101.06009	0.8
103.03922	1.4
107.08576	0.8
109.02855	0.9
109.10154	1.2
111.04443	4.5
121.10233	0.6
123.04456	1.5
127.03922	3.8
129.05473	45.4
133.81918	0.6
135.04445	0.7
137.06020	0.9
140.07109	0.5
145.04913	4.1
146.08160	1.5
147.06525	22.3
164.09172	9.3
180.08679	1.6
180.56627	0.5
181.04846	0.6
201.09070	1.4
225.09190	1.3
255.08690	1.9
267.10236	2.3
273.09726	1.0
309.11761	1.6
311.12891	0.8
325.11868	1.3
341.15015	0.7
353.11447	0.9
371.80270	0.7
380.17026	0.8
494.19119	1.7
526.23431	7.2
527.18280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
57.03433	2.6
59.04993	2.6
61.02914	5.3
69.03413	7.7
69.61838	4.9
71.04982	2.1
73.02903	4.6
75.80214	1.2
78.18641	1.1
79.05490	10.4
81.03400	3.5
81.07056	20.5
82.41769	1.4
82.42363	1.1
85.02902	46.4
87.04468	1.9
91.03976	2.5
91.05476	3.6
93.07039	16.1
95.08594	10.1
97.02878	11.1
97.06515	3.5
99.04423	2.4
103.05478	1.9
105.07029	8.5
107.08591	9.5
109.02868	3.6
114.80348	1.2
118.02682	1.3
119.08585	1.7
121.06496	2.1
121.10143	100.0
123.08064	1.5
123.11700	21.6
125.05975	4.7
127.03898	13.3
127.47211	1.4
137.05966	23.7
138.06337	2.3
139.11157	8.7
145.04959	16.6
149.09602	13.2
149.13211	2.9
151.07555	2.3
157.06464	1.7
160.05161	1.9
163.06001	9.7
163.07356	2.5
167.10670	69.4
167.14357	2.6
168.10934	1.9
175.07489	6.7
185.11702	7.6
187.07564	6.2
189.09067	1.7
191.07051	1.5
199.07095	1.4
205.08568	3.8
217.08537	2.4
223.70540	1.6
231.08139	1.3
235.09607	1.6
236.96918	1.4
279.09933	1.9
291.10114	2.0
311.14874	5.2
323.12729	3.8
325.14429	2.2
327.55438	1.4
329.15945	4.1
341.14008	6.4
414.65091	1.5
427.51669	1.6
526.23083	3.1
527.12122	3.8
528.28766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67771	0.4
54.81565	0.5
69.03347	0.6
70.93738	0.3
79.05399	0.6
81.99196	0.3
83.04892	0.4
85.02831	0.7
85.54664	0.3
86.05961	1.0
91.05394	0.4
91.68182	0.4
93.06971	0.5
95.08528	0.4
105.06908	0.4
109.10062	0.6
127.03809	0.4
133.10049	0.4
138.08812	0.4
142.12132	0.8
160.45918	0.4
161.32628	0.4
167.38730	0.4
196.16957	2.0
203.05148	1.0
209.04324	0.9
214.17877	0.9
236.16211	4.0
246.09479	2.9
254.51401	0.5
261.43246	0.5
266.13541	1.2
279.15588	0.4
282.46649	0.5
294.59396	0.4
300.14172	17.9
324.21609	1.7
342.18619	0.6
346.19952	0.9
364.20941	4.4
398.21487	52.4
399.21857	1.3
410.17941	2.4
428.19006	7.2
482.24179	1.5
490.24261	0.7
509.23566	0.7
526.26270	100.0
527.25214	6.2
536.88153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.6
57.03437	8.1
61.02910	3.4
65.49140	0.9
67.67625	1.0
69.03427	8.6
69.16837	0.9
69.26093	4.5
71.01318	1.0
73.02917	16.3
81.03407	1.1
85.02901	11.4
85.52612	1.1
86.52213	0.9
97.02888	12.4
98.23447	2.1
98.97552	2.4
104.54629	1.0
109.02872	1.2
115.03936	10.3
127.03940	3.6
133.04958	2.3
141.06972	2.6
142.07782	3.0
143.08575	1.9
145.04977	3.7
150.07661	1.6
153.07005	2.8
154.07744	1.8
154.84393	1.0
155.08554	54.4
156.09355	8.1
157.10060	1.2
163.06044	1.3
167.08588	3.5
169.10104	16.3
182.10889	7.7
197.13246	100.0
198.13591	1.2
209.13274	1.5
215.14249	2.3
221.13216	1.7
225.12706	1.1
239.14374	2.3
240.26624	1.1
241.07089	1.4
281.85840	1.0
315.19415	1.1
324.14694	1.0
392.01569	0.9
396.58981	1.0
409.84692	1.1
456.83194	1.0
526.21680	4.7
527.18597	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	526.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31336	2.1
57.07074	12.7
57.84875	2.2
67.05503	15.2
68.99806	2.8
69.24304	14.1
71.08632	8.7
79.05508	4.4
81.07062	12.1
83.01334	4.6
83.08620	3.1
85.10191	4.4
89.06029	23.8
91.05492	6.8
93.07040	5.5
95.04979	2.8
95.08614	8.5
98.22681	5.1
105.07047	3.3
107.04981	7.2
107.08594	4.7
109.06522	3.0
109.10172	2.3
111.08029	3.2
117.06961	2.4
121.06532	7.4
121.10130	4.4
121.74951	2.3
123.04436	14.4
124.05230	7.2
125.06010	3.0
133.08611	12.7
135.08003	3.2
135.11707	3.4
137.05983	41.8
139.07544	62.9
145.06496	2.9
147.08037	3.0
149.05977	16.4
149.09599	5.3
151.07570	15.8
153.05478	5.2
153.21826	2.3
159.08134	3.8
161.05962	4.8
162.06816	2.7
163.07550	72.4
167.07040	100.0
168.07390	2.6
169.04840	2.0
174.51994	2.1
175.07597	9.8
177.09119	59.2
177.11264	5.6
181.08577	2.1
189.09138	7.7
191.10641	22.7
193.08644	4.4
203.10712	12.4
205.12196	5.0
207.10170	8.0
217.12292	7.3
221.13907	2.6
231.13821	4.5
256.26370	3.4
327.20245	5.7
328.48489	2.3
359.90414	2.4
456.00494	2.8
481.29514	4.6
495.31091	10.1
499.57761	2.5
509.40939	5.5
527.33704	2.6
549.15338	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	526.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60206	1.9
55.05515	17.3
57.07066	6.9
67.05212	2.3
67.05508	27.2
69.03432	2.9
69.07065	37.0
71.04993	2.0
71.08649	2.1
71.43897	2.9
79.05489	16.8
81.03417	3.0
81.06567	2.5
81.07057	67.2
83.08614	16.4
85.06539	11.9
91.05479	12.9
93.07048	27.2
95.04965	5.7
95.08604	90.0
97.10157	7.7
99.08097	12.7
100.11230	3.8
103.05428	1.9
105.07028	32.0
107.08591	45.8
107.09264	3.5
109.06519	4.1
109.10153	82.9
111.08060	3.1
111.11724	9.9
113.09625	3.9
117.07024	4.0
119.08575	32.3
121.06499	2.6
121.10143	100.0
123.08063	5.9
123.11705	46.4
125.09611	4.1
125.13328	2.1
131.08554	7.3
133.10124	22.0
135.08034	2.3
135.11691	26.2
137.13254	19.3
139.11195	9.4
143.08614	2.9
145.10104	10.2
147.08092	2.5
147.11691	25.1
149.09605	5.4
149.13216	19.4
151.11197	5.4
151.14801	5.7
157.10173	5.1
159.11711	11.7
161.09616	2.8
161.13232	18.6
163.11171	9.0
163.14799	10.5
165.12729	12.8
167.10690	4.6
171.11703	5.2
173.13254	7.2
175.11150	2.8
175.14798	10.8
177.12750	5.7
177.16426	3.6
181.12225	5.9
184.84210	1.8
185.13197	4.1
187.14825	6.6
189.12730	6.8
189.16428	5.9
191.14362	3.1
193.12221	5.4
195.13855	4.1
201.16411	4.3
203.14308	8.0
203.17987	6.5
205.19550	15.8
207.13811	3.6
213.16470	3.2
215.17941	2.2
217.19525	5.7
219.13916	2.1
219.21043	5.6
221.15390	13.8
231.17322	4.1
231.21129	2.5
233.22542	3.1
239.16388	6.3
245.19052	3.6
245.22649	6.7
249.18475	4.6
259.24197	2.5
263.20053	8.5
263.23624	3.5
263.38681	1.9
279.23203	30.8
281.20996	2.1
321.24265	2.2
409.34702	2.7
427.35687	10.4
445.36386	4.9
474.39752	2.0
508.40036	12.1
526.25397	2.4
526.40857	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	526.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44034	2.3
55.05511	6.2
57.07065	3.5
67.05507	17.8
69.07067	16.1
79.05495	8.5
81.03422	3.2
81.07063	28.5
81.16824	2.6
83.04994	3.1
83.08607	8.5
89.06023	4.7
91.05471	11.2
93.07049	21.3
95.04935	2.5
95.08603	42.7
97.06557	3.1
98.23548	3.6
99.08115	14.0
100.27669	3.0
105.07027	27.4
107.08593	42.6
107.11298	2.6
109.06569	3.7
109.10155	40.0
111.08057	2.8
111.11694	3.6
119.08582	24.7
121.10144	82.6
123.08089	3.9
123.11697	24.3
125.09641	9.9
131.08563	6.2
133.10135	33.4
135.11700	30.8
137.13284	11.2
143.08549	3.4
145.10150	12.4
147.08034	3.5
147.11691	25.5
149.08511	2.8
149.09633	3.3
149.13258	12.4
157.10114	4.6
159.11670	12.2
161.13312	16.8
163.11214	7.6
163.14857	6.3
165.12755	21.3
171.11679	4.0
173.13246	10.4
175.14816	22.9
177.16370	14.7
179.14371	4.1
185.13245	6.2
187.14859	10.0
189.16350	7.1
191.14351	3.9
201.16270	3.5
205.19548	5.3
213.16544	4.2
215.17941	5.6
217.16032	3.1
225.16493	2.9
229.19603	7.0
243.17490	2.7
257.19073	4.6
275.20163	4.7
293.21243	2.8
327.19879	3.0
338.32941	3.3
344.04651	2.8
409.34683	4.0
437.33978	3.4
439.35812	3.1
456.73242	2.6
457.36816	10.9
475.38071	5.0
526.22650	4.7
526.30640	100.0
527.31201	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	526.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70669	1.6
55.05499	4.0
57.07080	55.8
67.05505	3.3
69.07062	7.7
69.66058	3.0
69.66431	2.7
71.08633	45.5
73.06547	4.6
80.94849	1.8
83.08631	2.3
85.10183	30.0
87.04465	2.9
89.06033	100.0
97.10170	2.4
99.11733	7.2
111.11718	3.8
113.13291	7.9
114.52949	1.6
117.09131	4.1
126.74142	1.8
127.14859	4.0
130.08641	3.7
131.07062	1.8
133.08611	63.3
137.05969	2.5
177.11227	26.3
183.21046	3.0
221.13834	6.5
239.14992	3.7
271.26318	6.0
283.17398	4.3
315.28937	7.3
327.20169	28.8
465.37875	2.4
509.40567	31.7
526.23322	2.0
526.42468	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	527.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	0.8
56.96565	13.4
70.69034	1.1
72.78276	0.7
72.92014	0.7
84.96030	2.0
139.00664	2.6
151.00688	1.4
153.02269	2.1
157.01755	1.5
165.02199	3.5
167.03830	2.5
169.01797	3.0
171.03287	3.0
177.02287	1.0
181.01733	2.6
183.03273	13.5
183.04633	1.1
185.04887	3.0
187.02789	1.5
188.20026	0.7
191.03806	1.2
193.01752	5.5
193.05399	4.0
195.03218	1.3
199.02855	3.1
201.04356	15.0
203.03998	1.0
203.05832	0.9
207.03252	1.6
209.04875	2.6
211.02771	22.7
211.04642	1.1
211.06332	5.2
213.04272	1.2
219.03319	8.2
219.05292	1.7
221.04947	2.6
223.02710	1.1
225.04443	1.2
227.05966	2.1
229.03835	94.2
230.04251	1.2
237.04317	40.1
239.05910	10.2
245.07008	0.9
247.02806	1.5
247.04895	31.7
252.05502	0.8
253.03787	0.9
255.05397	69.7
256.05920	0.9
257.06989	4.8
265.03812	10.5
273.06494	13.8
278.06964	1.4
283.04883	29.6
301.05927	90.6
302.06354	1.6
319.06992	14.8
324.07681	2.5
405.09802	6.4
405.59900	1.7
424.95050	0.8
437.11188	3.4
455.12262	36.9
456.12970	1.0
463.12592	1.6
481.13696	10.3
481.19897	1.0
491.12198	1.9
509.13275	14.8
527.14368	100.0
528.14996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2468
Annotation	1-Hydroxy-2,7,9-trideacetylbaccatin I
Peak:m/z	Relative Intensity
69.18915	1.5
69.19328	1.7
76.41245	0.6
105.07016	0.6
138.28702	0.5
227.05267	1.8
261.18298	0.8
279.19427	1.2
281.14597	0.7
423.23480	6.8
441.24954	3.8
447.23788	0.9
465.24603	23.7
483.25739	8.3
483.31931	0.9
509.23560	41.2
510.23676	1.5
527.24646	100.0
528.25092	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77854	0.3
55.05507	0.4
57.26331	0.3
67.05508	0.4
68.13235	0.3
69.07066	0.9
69.19157	2.2
71.04980	0.5
79.05498	0.4
81.07056	2.5
85.02924	1.0
91.05534	0.4
93.07056	0.9
95.04961	0.5
95.08601	0.4
105.07027	1.0
107.08595	0.5
109.10135	0.6
109.52189	0.3
113.51140	0.3
119.08615	0.5
121.10144	0.3
124.05002	0.4
125.06001	0.4
133.10165	0.5
139.03909	0.6
147.11804	0.4
203.05327	0.8
227.05254	0.8
236.16241	0.7
237.16541	0.5
240.93303	0.4
243.04642	0.4
245.06396	2.1
261.18381	1.6
264.87659	0.4
273.18594	0.4
279.19266	3.0
287.03705	1.2
289.05325	5.8
365.21268	0.8
395.20285	0.9
398.21509	0.9
399.21796	1.6
423.23553	0.8
441.24768	4.5
465.24701	1.1
483.25653	13.0
509.23575	1.6
527.24677	100.0
528.24854	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05509	16.9
57.03429	3.9
61.02921	15.2
65.03925	1.9
67.05220	1.5
67.05511	17.4
69.03410	7.2
69.07062	7.3
71.04984	3.6
72.08124	1.3
73.02908	5.6
79.05489	22.0
81.03418	2.9
81.07052	26.9
83.04971	3.9
83.08610	6.5
85.02901	13.6
85.06535	3.1
91.03949	5.6
91.04944	2.3
91.05484	33.9
93.07039	25.7
95.04961	4.7
95.08607	16.5
97.02888	7.7
97.06516	4.1
97.10154	4.8
99.04459	2.0
105.04480	1.8
105.06363	1.9
105.07035	30.2
107.04957	3.5
107.08593	12.7
109.06504	5.4
109.10154	5.8
111.08057	2.0
115.05426	3.9
116.06242	1.9
117.07027	19.5
119.08581	17.4
121.06514	4.2
121.10155	7.5
123.08053	7.2
125.09640	3.4
127.03860	2.2
128.06227	10.8
129.07005	13.0
130.07770	3.6
131.07558	1.9
131.08562	39.7
133.06480	5.1
133.10138	11.4
135.08063	3.4
135.11670	4.4
137.09631	2.1
139.11134	2.0
141.06972	5.4
142.07756	4.5
143.08554	47.9
145.10129	42.4
147.08054	8.2
147.11658	5.4
149.09564	3.1
151.07547	1.9
151.11223	2.4
155.08548	4.8
157.10124	15.1
159.08069	2.9
159.11647	11.4
161.09679	8.4
161.13197	2.0
163.11134	3.2
167.08543	1.9
167.10777	1.6
169.10112	9.3
171.11674	12.5
173.09584	2.8
173.13268	2.3
175.11200	3.6
177.12770	3.3
181.10135	8.4
183.11694	4.8
185.13275	4.2
189.12747	2.8
195.11687	12.5
209.13322	2.2
213.12782	2.5
215.12740	1.8
227.17943	4.0
237.16380	14.0
245.18973	2.9
255.17442	18.4
273.18484	37.2
329.21130	2.4
347.22162	100.0
347.65192	1.5
348.22629	2.8
365.23254	4.7
441.24319	4.4
465.23877	2.0
482.46243	1.6
483.24979	6.7
527.23871	38.7
527.31720	10.1
528.24713	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14114	0.5
69.14517	1.0
71.05002	0.4
81.07021	0.3
85.02901	0.3
97.15470	0.2
98.23543	0.5
139.07578	0.3
165.87523	0.2
167.07082	0.4
169.04735	1.6
187.05798	1.5
211.13051	10.0
252.15775	0.3
357.18851	8.0
381.26147	9.1
382.26312	0.3
444.97452	0.3
527.31934	100.0
528.32233	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	527.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
57.07074	1.0
66.28028	0.6
67.05495	1.8
69.07056	1.0
70.06602	1.3
71.04984	0.6
78.41325	0.7
79.05494	1.5
81.03396	0.6
81.07058	1.7
83.08601	0.8
87.08125	0.9
88.07628	1.5
91.05482	1.3
93.07053	1.6
95.08614	1.9
97.10142	0.6
102.09155	1.2
105.07034	1.6
107.08591	1.2
107.87581	0.6
109.10161	0.9
118.06525	1.5
118.18908	0.6
121.10178	0.9
123.04327	0.7
129.04405	0.5
129.06952	0.7
131.08607	0.8
135.11618	0.7
137.05978	2.9
140.52306	0.6
144.08064	1.4
145.10088	0.8
146.06003	4.7
153.05432	0.7
157.56944	0.7
163.07484	0.7
169.08607	2.2
170.08952	1.0
188.07037	6.9
198.97441	2.2
216.60988	0.6
256.26328	4.2
257.26596	3.5
307.21991	0.7
340.86572	0.7
481.27402	0.8
509.32751	1.3
526.40955	1.0
527.31854	100.0
527.40173	5.7
528.32074	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	527.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15775	0.6
71.44482	0.5
100.39243	0.6
137.05960	1.2
198.97322	0.5
333.06693	0.6
527.31921	100.0
528.32336	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	528.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
54.44818	0.5
56.26607	0.5
57.03431	0.6
65.03941	3.4
67.05495	1.7
69.03418	2.2
71.44230	0.6
81.03420	6.2
81.07047	0.7
82.04190	0.8
85.02909	4.8
93.03394	0.8
95.04963	3.0
95.08564	0.6
96.10746	0.6
97.02879	2.3
97.06517	0.8
107.04944	2.1
108.05268	0.6
109.02856	1.7
109.10123	0.7
110.03658	1.8
111.04445	1.0
115.85525	0.5
123.04417	0.6
123.11674	1.1
125.05968	1.9
127.03884	1.1
137.05968	12.6
137.07005	0.9
140.04662	4.7
142.02582	0.7
145.04947	0.5
151.03918	4.1
153.04414	0.5
153.05464	3.2
155.07001	4.2
161.66148	0.6
163.07478	0.7
169.12137	0.6
171.06525	3.7
181.04941	100.0
182.05296	1.3
199.05995	7.5
211.03929	1.7
229.05014	0.9
325.09216	6.7
331.11414	0.6
343.10196	5.8
349.09067	1.7
407.52676	0.5
432.11688	0.7
491.29028	1.2
492.29224	2.1
527.26898	0.6
528.27295	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03424	1.3
57.51228	0.3
67.05505	0.3
69.03424	1.3
69.72328	0.5
69.72683	0.9
70.06590	0.4
73.02917	0.7
76.94965	0.3
79.01851	2.4
81.03420	1.6
81.07036	0.3
85.02898	9.3
95.08580	0.9
97.02884	2.1
103.03939	5.7
105.07026	0.5
107.01308	1.0
109.02884	1.9
109.10173	0.4
123.04415	0.6
123.11689	1.0
125.02341	2.7
127.03913	3.6
133.06477	0.4
136.06212	0.7
137.05968	11.9
139.03912	0.4
141.33727	0.3
143.03386	4.8
145.04951	1.2
147.08051	0.8
149.06018	0.4
151.03935	1.1
151.07509	1.5
151.11188	0.7
153.01820	100.0
153.02869	4.4
154.02177	1.4
159.07997	0.4
161.05972	13.9
163.06000	0.7
163.07570	0.8
167.03389	1.0
169.12263	0.7
169.15973	0.8
171.02890	3.6
171.08054	1.0
174.06776	0.6
175.07552	4.2
179.07039	1.6
181.04939	0.9
181.08597	1.3
184.05327	0.4
185.09558	0.4
187.07495	0.6
189.09105	0.8
191.06985	0.4
193.08549	0.9
195.02898	3.4
195.07990	0.5
198.06567	0.3
199.07530	4.3
201.05443	0.4
203.07028	10.1
204.07512	0.4
204.12473	0.5
213.03938	10.4
213.09094	2.0
215.06990	1.0
217.08554	2.2
219.02853	0.5
221.08093	7.8
227.06984	3.6
233.08113	0.5
237.03926	1.3
241.08571	1.8
245.08055	2.3
255.04994	8.3
255.07529	0.7
259.09683	1.6
263.09119	3.3
269.08038	1.7
273.06076	0.7
281.88416	0.4
287.09119	23.1
288.09479	0.5
297.06015	0.7
305.10190	5.9
315.07111	4.0
340.88232	0.4
366.18063	0.5
457.11270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01863	4.6
57.03429	10.4
61.02927	11.2
67.05502	10.5
68.35253	2.2
69.03430	26.4
69.07058	7.6
69.29572	8.4
71.05001	14.0
71.65207	2.2
73.02926	5.5
76.00756	2.6
76.06077	2.1
79.05483	5.4
81.03417	15.2
81.07047	15.5
85.02406	5.4
85.02908	100.0
90.00290	2.4
91.03949	4.1
93.07023	3.4
95.04982	3.6
95.08596	6.5
97.02887	38.3
97.06535	26.7
99.04456	6.6
99.08097	3.2
100.02076	2.3
104.21388	2.2
105.07046	5.3
106.24982	2.2
107.04979	2.2
107.08562	5.5
109.02898	10.1
109.06493	3.3
109.10137	13.6
111.08076	10.1
117.05520	2.6
121.10092	2.6
123.10886	4.8
123.11716	58.0
125.06007	2.5
127.03926	30.7
133.10150	2.6
145.04964	29.9
151.03928	4.8
151.10057	4.2
151.11191	64.2
151.12405	3.3
153.12743	44.7
163.03902	5.1
163.06053	7.9
169.10909	4.2
169.12250	45.9
171.06487	2.5
179.05577	4.1
181.04965	33.2
183.10136	2.6
195.10159	7.8
197.12869	5.7
199.05959	4.3
204.16745	2.4
206.48070	2.3
209.04515	3.4
225.11211	7.3
313.16693	2.9
331.17593	25.0
377.01788	13.5
395.02979	4.6
492.90787	2.8
493.22864	74.2
496.93372	2.9
528.23181	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	528.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.5
57.07076	2.6
59.05006	0.9
61.02923	3.2
67.41322	0.7
69.03428	12.1
69.07059	1.2
69.30901	4.3
71.01352	0.9
72.03357	0.8
73.02912	14.9
78.47143	1.0
81.03436	1.1
85.02902	18.4
87.04450	4.6
97.02894	14.7
98.97580	1.3
99.04451	0.9
100.52458	0.8
105.07025	2.2
109.02853	1.1
115.03924	14.8
119.08627	1.6
127.03915	4.9
128.06241	2.7
129.07013	1.9
133.04967	10.4
141.07019	2.5
142.07791	19.6
143.08563	17.9
145.04956	5.3
145.10069	1.0
150.07613	2.7
155.08580	2.2
156.09334	5.4
157.10123	100.0
158.10487	2.8
163.06038	2.7
167.08542	0.9
169.10097	1.3
170.10875	3.0
171.11691	15.3
173.13283	1.4
184.12415	1.7
199.14815	61.8
200.15178	1.5
217.15878	7.3
223.06017	1.6
237.02991	0.8
241.07063	1.7
241.15694	1.0
250.16501	0.8
251.11790	1.0
259.08472	1.6
295.10263	2.6
313.17844	0.8
331.19067	3.0
428.96518	0.8
528.28278	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56862	3.2
55.05504	6.8
67.05507	15.3
69.07053	4.7
74.44592	3.5
78.64127	3.3
79.05504	7.5
81.07056	15.6
83.08642	4.6
89.48820	3.6
91.05469	4.7
93.07054	5.0
95.08595	17.8
105.07128	3.4
107.08617	4.0
117.06962	3.5
119.08608	4.0
123.04440	5.3
123.11698	4.0
125.06017	9.8
137.05980	4.0
139.07579	5.1
153.05466	19.3
155.45630	3.4
161.87769	3.3
167.06999	6.5
177.05513	6.2
191.10741	3.3
198.97528	4.2
199.07582	4.2
213.05528	3.9
213.09164	4.6
227.07019	6.0
229.04898	6.0
230.05618	4.9
234.40871	3.9
241.08464	6.8
242.05750	4.1
243.06549	5.5
245.08141	5.8
255.06560	9.3
257.08023	7.5
258.05164	8.7
259.06015	19.2
260.06799	4.2
265.08322	3.8
269.07993	6.7
272.06909	5.8
273.07748	18.5
274.05362	3.8
274.08307	25.3
287.09171	20.9
289.07092	9.3
295.09485	4.6
299.09000	4.8
305.10373	4.1
443.29367	4.0
451.28113	4.7
461.27701	5.2
465.26086	4.7
466.27304	19.6
469.29352	4.1
479.27890	41.3
497.28976	100.0
528.32800	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	528.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76631	4.3
65.95805	3.8
67.05512	7.5
69.07068	5.6
69.39529	10.4
69.39919	10.1
79.05521	6.3
81.07053	9.9
95.04944	4.5
95.08569	4.9
98.23328	13.2
125.05987	5.4
127.65814	3.8
137.05821	4.0
139.07523	11.5
144.66469	4.0
151.07584	7.5
152.04677	6.5
153.05464	6.2
166.06334	6.3
167.07043	46.6
168.07625	9.4
169.04910	22.5
181.04951	18.0
181.08553	21.5
182.36052	4.0
183.06480	7.6
184.07298	51.8
191.10460	4.0
196.07323	68.2
198.08873	14.8
199.09656	7.9
207.10152	6.6
211.09639	53.9
263.20105	6.3
317.24210	4.4
339.29077	4.5
447.27469	7.7
455.30151	4.3
461.28909	100.0
462.29510	5.4
493.31339	12.2
511.32108	6.3
528.29767	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	528.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82771	3.4
55.05505	5.9
56.35174	3.8
57.07059	5.6
60.23752	3.5
67.05499	7.1
69.07072	6.6
79.05482	6.0
81.07054	16.4
81.11534	3.4
83.04937	5.3
91.05498	17.3
93.07047	16.7
95.08614	15.6
95.75118	3.8
105.07024	17.3
107.08579	12.5
109.10152	4.8
110.96243	4.3
117.07005	13.7
119.08601	15.6
120.84385	3.6
121.10134	12.1
128.06157	4.3
129.06976	7.0
131.08571	15.1
133.10118	8.0
135.11659	10.4
137.05989	4.0
137.09618	5.9
141.07031	24.2
143.08531	21.2
145.10138	16.8
146.83644	4.0
147.11655	4.6
155.08537	48.8
157.10100	18.6
159.11717	24.7
167.08636	5.1
167.69344	3.6
169.10126	41.2
171.11688	12.4
173.13326	4.2
180.26758	3.6
181.10129	8.6
183.11650	29.8
185.13333	7.8
187.11076	4.4
195.11642	8.9
197.13264	28.9
198.13608	5.0
199.14778	11.2
201.12718	9.2
207.11717	10.2
209.13293	4.1
211.14998	4.1
215.14294	12.3
221.13210	8.0
222.13931	3.9
223.14772	8.5
225.12827	5.5
225.16359	69.0
226.16676	5.2
237.16298	4.5
241.15906	4.0
243.13716	5.7
243.17462	45.1
253.19508	6.8
261.63992	3.8
263.17978	6.9
271.20575	6.5
281.18961	40.9
299.20023	100.0
317.21130	81.4
359.21878	6.9
377.23352	32.9
484.22037	4.7
528.21442	7.3
529.30981	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	529.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01863	2.7
57.03450	1.0
61.02921	1.3
67.05496	1.8
68.99785	1.0
69.03426	9.1
69.82204	1.1
69.82537	2.2
71.04982	1.3
73.02923	1.2
77.89734	0.8
79.05473	3.3
81.03415	7.0
81.07051	1.6
83.04962	0.8
85.02412	1.0
85.02906	12.6
87.00816	8.0
87.04437	0.9
91.05475	3.4
93.07034	1.8
95.04946	1.5
96.98500	0.8
97.02905	7.6
97.06537	4.3
98.22733	1.2
99.04448	3.1
105.01868	3.2
105.07015	3.4
107.08584	3.8
109.02873	6.7
109.06512	2.3
111.04435	3.7
115.05424	0.8
117.07012	2.2
119.08579	3.9
121.06492	3.0
123.04414	1.9
123.08073	2.3
127.03904	8.0
128.06241	1.6
129.06985	2.5
130.07765	0.9
131.08546	2.7
133.06534	0.8
133.10117	1.8
135.08047	100.0
137.05969	1.9
139.03885	1.1
141.07018	1.1
142.07767	1.6
143.08551	3.0
143.58598	0.9
144.09328	1.1
145.04974	3.6
145.06456	1.3
145.10106	2.9
147.08043	2.6
147.11670	1.0
149.09666	1.2
151.07568	2.0
154.07738	0.9
156.09332	5.7
157.06487	1.3
157.10159	2.7
158.07312	2.3
159.02888	3.3
159.08064	6.6
159.11693	12.3
161.09639	2.5
163.07497	1.2
165.09117	2.1
166.07722	0.9
169.10121	2.0
170.10812	0.8
171.11716	2.6
172.08833	7.0
173.06012	0.9
173.09621	13.7
175.07524	2.0
175.11169	1.2
184.08780	1.0
185.09593	1.4
187.07547	1.1
187.11163	38.9
188.08308	1.0
189.12677	2.9
197.09601	1.2
199.11206	8.1
201.00262	0.9
203.10660	11.2
205.12296	1.1
212.08304	1.4
213.03830	0.8
215.10672	27.2
217.12209	6.6
219.13718	1.0
227.10721	8.4
231.04996	0.9
233.11717	61.7
240.52837	0.8
245.11726	40.2
261.11221	1.8
263.12778	51.1
264.13144	1.4
301.10956	0.8
314.44418	0.8
529.17426	3.0
546.51361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2776
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
55.05523	1.7
63.45604	1.6
67.05510	5.6
69.07080	2.2
79.05492	4.0
81.07063	9.0
83.08668	2.4
87.04483	2.8
89.06042	3.3
91.05494	3.0
93.07062	5.0
95.04983	2.6
95.08605	3.9
105.07018	1.7
107.08593	2.5
109.10183	1.8
119.08553	2.4
121.10133	2.4
133.10106	2.1
159.11746	2.1
195.00375	2.8
229.14531	1.5
245.00496	1.5
248.93024	1.6
348.80957	1.5
449.28763	3.8
510.60297	1.7
529.27728	100.0
529.34918	5.1
530.27991	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	529.3137
Annotation	Milbemectin
Peak:m/z	Relative Intensity
50.77338	1.4
58.52716	1.5
60.45964	1.7
69.31192	5.8
69.31594	3.7
139.72882	2.1
142.77330	2.0
167.07027	2.6
169.73668	1.9
227.62601	1.7
294.94513	2.0
302.17148	1.9
485.32114	2.2
499.26675	11.1
514.29083	4.1
528.50342	3.8
529.31403	100.0
530.31720	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	529.3294
Annotation	Neolinderachalcone
Peak:m/z	Relative Intensity
55.05499	1.2
67.05503	3.1
69.07060	1.1
69.67278	1.9
70.06586	0.7
71.04980	0.5
71.08630	0.9
79.05480	1.5
81.03399	1.6
81.07063	2.0
83.08591	0.5
87.04452	1.0
88.07614	0.7
88.78155	0.5
91.05442	0.8
93.07045	1.5
94.14121	0.5
95.04961	0.7
95.08593	0.7
97.63524	0.5
98.22684	0.5
99.53778	0.5
105.07018	1.2
115.41199	0.5
121.10181	0.7
123.11710	1.1
124.93764	0.7
129.07010	0.6
133.10191	0.5
137.41966	0.4
139.01543	2.0
145.10043	0.6
180.05481	2.2
181.06265	1.2
188.92523	0.7
198.97404	2.8
212.15605	0.5
235.07336	1.1
256.26407	4.1
305.11606	2.8
340.29474	0.5
369.23917	2.7
384.27905	1.3
411.26526	5.6
427.25992	2.7
437.20447	3.0
441.27655	4.9
442.28430	3.0
453.27716	1.0
469.32880	0.8
497.30167	1.5
511.31683	1.7
512.32593	2.5
529.32843	100.0
530.33386	4.3
530.40540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65986	0.3
70.36034	0.3
70.36374	0.5
71.79355	0.3
85.16296	0.3
103.11381	0.3
138.69098	0.3
218.69469	0.3
339.37222	0.4
367.28241	1.1
403.20850	0.6
529.33459	100.0
530.33966	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	529.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22230	0.4
55.05498	0.5
65.35746	0.4
67.05503	0.8
69.03390	0.7
69.07079	0.4
71.92996	0.4
78.86675	0.3
81.03408	0.4
81.07052	0.9
83.04975	0.5
85.02902	0.4
91.05472	0.6
93.07041	0.4
95.08585	0.5
97.02891	0.5
105.03397	0.7
105.07034	0.8
107.08595	0.5
109.10162	0.4
119.08528	0.5
131.08600	0.7
135.11772	0.4
137.05998	0.4
139.03928	0.5
203.05284	3.8
205.21875	0.4
349.27100	19.9
367.28156	1.2
377.08313	1.1
409.28690	0.5
512.29956	0.4
529.13702	2.5
529.33435	100.0
530.33911	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	529.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98976	0.8
53.03959	0.9
55.05506	1.9
59.93402	0.8
67.05502	8.4
68.90417	0.9
69.07063	2.4
69.32154	3.8
71.04992	1.5
74.33266	0.8
79.05478	4.3
80.02393	13.9
81.03417	1.9
81.07058	7.0
83.08595	1.0
87.04433	1.0
89.06024	0.9
91.05460	4.7
93.03166	3.0
93.07037	3.9
93.35534	0.9
95.01324	0.8
95.04978	1.6
95.08617	3.4
97.06518	1.9
98.23457	2.0
105.07014	2.8
107.08604	4.3
109.06296	4.0
109.10138	2.2
117.06989	0.8
119.08595	1.7
121.10164	1.6
123.04182	24.5
131.08580	1.7
133.10164	1.5
135.11665	2.4
145.10091	1.0
147.07957	1.6
149.13298	1.1
166.09647	10.9
171.11653	0.9
181.08456	1.3
185.05965	0.8
193.08379	1.9
193.11980	1.0
195.00220	1.5
195.13535	1.0
211.02887	1.0
229.14410	1.1
231.17299	1.4
233.11853	1.0
247.12964	4.1
256.26379	1.3
259.16919	1.1
260.17505	2.1
263.12564	7.4
264.12939	1.0
269.17407	1.8
273.18240	3.1
275.20056	3.8
303.15628	1.2
304.16422	12.1
317.17258	10.9
356.23169	3.7
369.24002	14.2
370.24127	1.3
411.28763	14.6
412.29330	3.4
437.28796	1.3
441.29816	1.5
442.30536	5.6
449.28610	4.0
453.29733	1.2
463.29785	1.4
467.35098	4.1
483.33875	1.9
484.34787	2.9
485.35925	1.9
493.33109	1.5
497.32031	3.2
511.33969	11.7
512.34772	14.3
529.27527	32.3
529.34863	100.0
530.27875	2.2
530.35406	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	529.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05495	1.2
67.05482	1.7
69.07056	0.7
69.72103	1.5
79.05465	2.2
81.07044	1.6
83.01337	0.7
91.05488	2.2
93.07041	0.5
95.04980	0.6
95.08604	0.7
96.05725	0.9
98.23306	1.0
98.33567	0.5
102.83062	0.3
105.07021	0.5
107.04953	1.3
108.05756	0.5
109.06506	2.3
109.10126	0.5
111.08065	1.3
117.06984	0.8
121.06477	1.5
123.08039	0.7
124.05202	3.8
125.05951	0.7
131.08536	0.6
135.08025	5.2
137.05959	10.6
139.07533	44.1
140.04700	1.4
140.07899	0.6
145.06494	1.1
147.07985	0.6
149.09671	0.7
150.11176	0.4
151.07530	10.9
152.07727	0.4
153.05505	2.4
153.09100	1.2
155.07011	1.6
159.08022	0.9
161.09573	0.7
163.07547	3.1
165.06615	0.7
165.09074	2.4
166.06339	0.8
167.07028	100.0
168.07355	1.9
175.07567	1.7
175.43088	0.4
177.09100	6.4
179.07013	0.8
181.08606	2.4
189.09129	0.7
191.10701	3.1
193.08603	1.8
207.10086	1.0
318.68448	0.4
323.42365	0.5
375.28839	0.7
409.90771	0.5
412.82031	0.4
479.31195	0.8
497.32504	4.8
511.34088	1.9
529.34662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3528
Annotation	Globostellatic acid H
Peak:m/z	Relative Intensity
55.05512	13.3
57.07069	12.2
65.31174	2.8
67.05494	7.3
69.07072	18.6
69.18657	5.9
69.19061	15.7
69.60227	4.1
70.06596	3.7
71.08610	3.1
81.07044	8.5
83.08609	8.0
88.72820	3.2
98.22751	4.8
101.18913	3.3
104.72505	3.0
114.57687	3.2
118.59969	3.1
125.05993	14.5
135.04503	2.9
136.58498	3.3
137.05984	34.0
139.03867	9.7
139.07552	10.0
152.04649	4.2
153.05444	24.4
154.06218	3.8
157.63510	3.3
161.05937	6.1
166.06265	3.6
167.07043	23.6
173.05956	4.0
177.09074	6.2
185.09714	3.3
189.05418	5.4
195.10184	4.0
198.06642	3.4
199.07593	6.6
213.05424	5.4
213.09044	5.4
214.06261	4.4
223.07813	4.5
226.06230	6.7
227.07024	21.2
228.07817	5.2
228.23293	3.5
229.04971	7.7
229.08614	3.8
230.05734	4.7
237.05469	4.5
239.06920	6.5
240.07846	3.9
241.05058	5.8
241.08572	23.4
243.06529	14.3
244.03673	5.6
244.07388	7.1
244.22647	5.2
245.04501	7.6
245.08086	11.5
255.06561	26.0
255.10246	7.2
256.07300	16.3
257.08057	12.8
258.05267	10.5
258.08307	4.2
259.06012	52.4
259.08688	5.6
260.06906	4.3
263.16406	41.0
265.18042	10.1
269.08167	16.6
271.06097	4.6
271.09741	5.0
272.06839	15.7
272.25647	5.1
273.07538	48.2
274.05099	5.8
274.08298	41.0
275.05460	10.0
275.09003	4.4
279.19299	5.0
281.07782	3.9
283.09720	11.2
283.26492	5.5
284.26636	4.8
285.07657	7.3
286.08383	6.8
287.09116	54.3
289.07120	16.1
290.07770	5.3
292.09360	7.2
297.11169	4.9
305.10211	7.2
353.21295	4.0
367.19000	5.2
368.19852	5.1
371.18500	8.4
381.20685	15.4
385.20078	31.3
386.20972	40.0
388.18988	8.7
399.21631	56.0
402.20319	14.8
403.20798	3.7
404.22073	9.3
413.23230	4.7
417.22672	11.0
441.26474	4.2
483.34583	4.9
493.32962	9.6
498.33292	14.4
511.34146	56.1
528.49603	13.1
529.35315	100.0
529.49603	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76212	0.3
53.03938	0.5
55.01861	0.5
55.05512	2.6
57.07073	0.6
65.03934	0.7
67.05505	3.5
69.03411	0.4
69.07069	3.2
69.23893	1.3
77.03911	0.5
79.05489	2.9
81.07066	3.2
83.01307	0.3
83.04993	0.3
83.08605	1.5
87.04460	0.3
91.04947	0.4
91.05475	5.8
93.07043	3.3
94.04163	0.3
95.04954	1.2
95.08601	3.0
97.10168	0.5
98.22701	0.7
103.05494	0.6
105.04483	0.8
105.07014	1.1
107.04975	1.6
107.08577	1.0
108.05726	1.1
108.73101	0.3
109.06511	2.8
109.10149	0.9
111.08098	0.5
117.07008	1.1
119.04939	0.7
119.08581	0.6
121.06499	7.8
121.10136	0.7
123.04412	0.9
123.08073	4.9
123.11676	0.3
124.05186	0.4
125.05981	0.6
129.06976	0.4
131.08572	0.6
133.06522	0.7
133.10124	0.3
135.08037	3.8
135.11700	0.4
136.05153	1.5
137.05972	32.0
138.06720	0.6
139.03868	0.3
139.06438	0.6
139.07539	11.2
140.04691	4.0
140.07880	0.6
145.06470	0.8
145.10143	0.4
146.07219	0.3
147.08052	1.0
149.06013	0.4
149.07077	0.4
149.09636	1.2
151.07536	100.0
152.07867	2.2
153.05486	1.7
153.09100	3.1
154.06171	0.4
155.07030	3.2
159.08014	0.3
161.05984	0.7
161.09644	1.4
162.06714	0.4
163.07484	1.4
165.05435	0.5
165.06837	0.4
165.09116	4.4
166.06264	0.5
167.07036	13.3
168.07394	1.6
174.06813	0.4
175.07545	1.3
175.11201	0.5
177.05626	0.3
177.09111	5.7
178.09421	0.3
181.08589	0.9
189.09102	2.2
191.07033	0.5
191.10629	2.0
193.08553	0.3
203.10683	1.3
205.12260	0.6
207.10133	0.7
217.12279	1.3
219.13800	0.4
229.12138	0.5
231.13812	0.9
243.13719	0.4
245.15454	0.4
249.15495	0.3
255.10234	0.8
269.11621	0.6
285.11331	0.7
287.12842	0.4
297.11111	0.3
299.12903	0.4
325.93283	0.4
341.24805	0.5
343.26324	0.7
355.26398	2.1
357.27765	0.9
359.25790	3.7
360.26196	0.5
361.27368	0.6
373.27243	1.6
375.28763	0.5
399.22397	0.3
461.30530	1.8
469.32675	0.3
479.31531	6.0
493.33347	2.3
497.32568	11.3
498.33151	0.7
511.34042	5.8
512.34369	0.5
529.35217	27.1
530.35437	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01873	1.0
55.05512	15.0
57.03441	2.3
57.07077	1.8
65.03951	2.1
67.05505	56.0
69.07069	16.8
71.05001	3.4
77.03890	0.9
79.05491	42.5
79.12047	0.7
81.03426	1.9
81.07055	59.3
83.04997	3.9
83.08618	9.4
85.06540	2.1
87.04469	1.1
91.05481	25.0
93.07042	54.9
94.90619	0.8
95.04974	8.8
95.08607	29.0
97.06515	6.1
97.10194	3.3
99.08118	2.4
101.67072	0.7
105.04528	3.4
105.07030	14.2
107.08591	29.4
109.06522	2.1
109.10155	8.3
111.08102	4.9
117.07014	7.2
119.08575	11.0
119.54670	0.7
121.10140	23.1
121.10987	1.3
121.50691	0.7
123.11710	2.8
125.09629	0.8
127.07599	0.8
129.07001	1.8
131.08563	13.6
133.10120	9.8
135.11676	11.4
139.11220	1.2
143.08629	2.9
145.10121	8.3
147.11667	5.2
149.13268	21.5
151.11258	0.8
157.10143	2.6
159.11693	15.0
161.13272	2.6
163.14859	1.9
167.07095	0.8
169.10149	1.1
171.11736	2.6
173.13269	4.3
175.14906	1.3
177.12744	4.6
180.83812	0.8
181.10168	1.3
183.11754	1.1
185.13268	1.4
187.14870	2.2
195.13745	6.8
199.14812	1.1
201.16408	1.0
256.26440	1.1
261.22104	5.7
275.54291	0.8
317.24744	2.1
402.44049	0.9
435.68027	0.8
437.34238	3.5
455.35443	1.2
511.37860	2.4
529.38892	100.0
530.39099	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	530.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01861	0.8
57.07061	0.9
65.03941	3.2
67.05485	2.1
69.03439	2.5
69.07058	0.7
69.37910	1.8
70.02951	0.9
72.04498	1.8
73.02905	1.2
79.05489	1.0
81.03403	5.2
81.07022	0.5
82.04196	1.0
85.02899	5.2
85.06523	0.6
89.62595	0.5
90.05551	1.7
91.05480	1.4
93.03405	1.0
95.01337	0.8
95.04954	2.7
97.02892	26.2
97.06531	0.6
98.02388	0.9
98.22655	1.0
99.04470	0.6
103.03941	0.5
105.07032	1.0
107.04970	1.0
109.02888	3.7
110.03635	1.6
110.48584	0.5
113.05978	0.7
116.03436	1.6
119.04959	1.0
123.04417	2.0
124.07580	1.7
125.02387	1.1
125.06017	0.5
127.03870	1.1
129.07027	0.5
131.04910	1.2
133.06464	3.4
134.26205	0.6
137.06001	0.7
138.03133	0.9
140.04677	5.7
142.08591	1.5
145.04944	1.8
147.04393	3.7
147.08047	0.7
148.04758	1.7
148.20270	0.5
149.05945	1.3
153.01839	3.6
153.05502	2.6
155.07033	2.9
157.05003	0.9
160.09816	0.6
165.05440	1.1
165.94879	0.5
166.48682	0.5
171.06570	3.5
175.07428	1.2
177.01784	0.6
181.04948	100.0
182.05301	1.4
184.09731	1.6
191.03281	0.8
192.08739	1.4
193.04947	0.9
193.08630	3.0
194.02051	1.1
195.02878	0.8
199.06033	6.4
202.10742	5.5
205.04951	0.8
208.92931	0.6
209.04475	6.4
227.05510	1.0
275.05420	1.2
283.07889	0.7
293.06854	0.6
304.14032	1.0
310.71362	0.6
319.11871	1.3
322.14828	3.3
325.09131	5.1
337.12793	3.6
343.10147	5.2
364.21402	0.6
365.08676	0.9
400.12164	2.8
477.33286	0.6
512.17749	3.6
516.15405	0.7
530.18323	2.0
553.12952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04906	0.9
53.03952	1.4
55.01875	3.1
55.05514	5.1
56.96555	1.8
57.03433	3.4
57.07080	4.9
57.47947	1.0
59.05018	1.6
61.04839	1.2
67.05505	12.4
69.03431	5.2
69.07082	7.8
70.02975	2.0
70.06603	1.8
71.04984	2.6
72.04517	11.4
72.08138	2.7
73.02927	6.3
79.05491	7.9
81.03420	6.4
81.07055	8.4
83.04977	5.9
83.08602	2.9
84.08145	1.8
85.02902	8.8
85.06563	5.3
86.09740	6.9
87.00826	1.7
87.08077	1.7
90.05556	20.7
91.05495	5.7
93.07050	8.9
95.04948	9.9
95.08582	5.7
96.08140	2.9
97.02880	7.3
97.06544	2.8
98.02444	6.1
99.04472	3.6
99.08113	1.4
100.03970	3.2
102.54146	1.1
103.03972	1.4
103.05484	1.4
103.07578	1.7
105.01891	1.5
105.07056	2.7
107.04986	5.2
107.08617	4.8
109.02882	4.0
109.06571	1.3
109.10159	4.9
111.04429	6.6
113.06023	4.5
114.76550	1.1
116.03475	9.3
117.06998	1.7
119.04970	2.1
119.08574	3.2
121.10162	7.3
123.08105	1.9
124.07590	22.6
124.08440	1.9
125.05970	1.9
127.03944	4.9
129.05496	1.4
129.06978	1.4
131.07080	1.2
131.08606	1.9
132.10284	1.2
133.02866	1.3
135.04460	2.0
135.11711	3.2
136.07591	1.3
137.05949	2.1
137.09627	1.3
138.05473	1.2
138.09146	2.0
139.03922	1.6
139.11192	2.0
142.08641	16.3
145.02867	1.3
145.05003	1.5
145.08546	1.4
145.10143	3.1
146.05998	2.1
147.04379	6.0
148.04808	1.5
149.09607	2.1
150.03137	2.1
151.03969	2.0
153.05516	3.7
153.12697	1.4
156.10210	1.6
159.04457	3.8
160.09740	3.6
162.03114	1.5
163.03954	3.4
163.09610	1.7
163.11192	5.1
166.08664	3.9
167.03445	2.8
173.02374	2.0
173.04550	1.3
173.09656	2.0
174.11337	2.3
175.03914	6.7
177.01833	3.2
177.05486	5.2
178.02625	5.3
179.03400	3.9
180.00606	4.3
181.04951	7.0
181.12259	2.4
184.09692	20.6
185.16556	1.5
187.03946	2.5
190.02611	2.0
191.03386	20.9
191.10670	4.0
193.04927	12.1
195.02888	17.7
195.06577	2.3
197.04445	8.8
197.12770	1.2
202.10739	27.1
204.04149	1.4
205.04965	14.1
206.02136	1.4
207.02907	2.3
207.06491	1.8
209.04497	8.7
209.11746	23.6
215.03331	1.1
217.04915	2.4
218.02074	1.6
219.02934	2.9
219.06519	5.7
220.11792	1.5
221.04477	7.9
223.02400	3.6
223.05956	8.5
227.12778	4.9
229.14445	1.5
233.04457	24.5
235.06013	2.8
237.03896	1.6
237.10342	2.5
239.05666	1.6
241.14255	3.1
241.16544	1.4
245.04507	3.3
246.47987	1.4
247.06000	6.7
251.05478	13.9
257.04501	2.7
263.05475	15.2
265.09787	3.4
265.14252	1.9
267.11395	1.2
272.62234	1.4
275.05573	8.8
283.15390	30.7
293.06555	4.2
293.09384	3.6
301.16425	10.8
311.07520	3.1
311.10400	3.5
313.11893	1.2
329.08636	4.1
339.09814	3.9
371.12466	10.6
400.12390	58.3
410.10791	3.7
426.10370	2.3
427.19778	1.5
480.17679	4.1
494.16666	5.1
512.17633	100.0
513.18054	1.6
529.28351	4.2
530.18652	24.4
530.28192	4.0
531.20276	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30423	0.5
57.03398	0.6
65.03947	0.9
65.66402	0.5
68.17609	0.5
69.03415	1.8
69.07065	0.6
69.20229	2.3
70.06590	1.0
78.46313	0.5
81.03403	0.8
81.07039	0.8
83.08614	0.6
85.02894	1.4
91.05482	6.2
93.07015	0.7
95.08582	0.7
97.02885	1.3
98.23470	1.2
102.77238	0.5
107.08562	0.9
109.02896	0.6
119.04943	17.7
119.08584	0.7
121.06485	0.5
124.27327	0.5
127.03917	1.1
131.08601	0.6
133.10088	0.6
135.08105	0.8
139.03894	0.7
143.08452	0.6
145.10170	0.6
147.04401	100.0
148.04741	1.2
159.09215	1.4
159.11703	0.7
187.11133	0.6
191.03320	0.7
201.16338	0.8
211.11211	1.6
229.12178	1.3
247.13315	0.9
309.09686	2.4
351.13388	9.4
530.22980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01860	1.0
56.96583	1.0
57.03436	1.4
61.02930	2.1
65.03952	1.0
66.04713	0.9
69.03440	7.4
70.06599	3.0
71.04967	0.9
71.41985	1.3
72.08140	1.1
73.02928	1.8
81.03423	3.9
85.02908	29.1
91.03944	1.8
91.05502	2.5
91.28441	1.0
93.03475	1.0
94.04173	1.6
97.02904	7.9
99.04475	1.9
105.07039	1.3
109.02897	3.2
117.06987	1.9
119.04949	2.1
121.06510	3.5
122.03654	4.3
127.03909	8.2
131.04964	2.3
133.06454	1.2
133.38763	1.1
137.05984	100.0
138.06326	1.0
139.03938	3.8
143.08577	6.5
145.04964	15.5
145.10179	1.3
147.04396	6.4
148.04741	1.5
148.90889	1.0
149.05992	6.4
151.07603	1.7
153.01907	1.2
161.06000	3.9
161.09668	1.2
163.06029	6.6
163.07510	2.4
167.07086	3.2
171.08035	6.9
174.06761	9.1
179.07037	2.7
180.08670	2.2
181.06516	1.8
189.09114	58.7
192.23680	1.0
208.09753	1.4
213.09193	1.7
241.08670	1.5
243.60606	0.9
260.89587	1.0
273.11218	2.6
283.09665	1.7
285.08096	0.9
285.11215	4.9
303.12173	1.0
315.12222	2.1
316.18692	1.2
530.15448	1.5
531.17328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63980	1.0
53.03950	1.5
55.01874	2.1
55.05516	14.2
55.82560	0.8
57.03442	12.9
59.05003	36.4
61.02927	4.1
62.97819	1.0
67.05507	52.5
68.48358	0.8
69.03438	2.9
69.07073	4.9
70.06600	6.1
71.05003	4.8
73.02927	1.8
74.09721	3.3
79.05505	6.0
81.03416	5.2
81.07059	13.1
83.04986	3.3
83.08629	7.5
85.02905	7.2
85.06550	2.8
86.06046	1.5
87.04469	84.9
91.05470	5.7
93.07051	6.3
95.04991	2.3
95.08607	6.6
96.08853	1.0
97.02908	2.8
97.10176	8.0
99.04472	5.2
103.03947	3.2
105.07027	2.7
107.04948	2.2
107.08598	4.6
109.06479	1.4
109.10158	52.7
111.04451	1.9
111.08103	2.8
117.07018	1.5
119.08592	5.4
120.08137	1.0
121.10149	3.9
125.09632	9.8
127.08683	0.9
131.08629	1.0
135.08073	1.0
137.09621	3.7
139.03894	2.2
139.11217	1.0
143.08534	1.1
143.10733	1.1
145.05032	1.2
145.10124	2.0
146.08757	0.9
147.11707	1.1
149.09673	1.7
153.12749	2.5
155.10681	6.0
163.11200	2.5
172.63734	0.9
173.11739	35.5
173.13263	1.8
177.01898	1.0
193.12256	3.3
209.04504	8.0
209.11745	1.1
217.14430	3.4
222.14894	1.9
223.13214	1.2
229.14331	100.0
251.05438	1.1
257.13837	12.3
264.17511	5.0
280.17044	4.0
282.18500	11.5
283.15552	1.5
302.34232	0.9
310.17935	8.1
315.18033	0.9
325.00336	1.0
333.19086	9.4
343.01501	1.5
360.98636	1.3
361.02377	13.6
366.73013	1.0
379.03412	3.6
399.03934	1.1
417.05240	1.2
426.22800	2.5
444.23636	7.0
477.22891	1.7
486.24780	14.3
530.23859	13.1
531.24402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94894	1.4
53.03944	1.6
55.01865	4.3
55.05510	30.4
57.03440	15.7
59.05001	29.6
61.02926	3.3
65.03913	4.5
67.05502	61.3
69.03426	5.0
69.07061	5.2
69.59839	6.9
70.06569	3.6
71.04984	9.0
75.04514	1.4
79.05498	17.4
81.03421	7.6
81.07056	18.0
82.78529	1.3
83.04974	6.6
83.08603	15.1
85.02895	15.8
85.06533	5.7
87.04467	88.1
89.87440	1.3
91.05476	100.0
93.07042	6.5
95.04964	3.9
95.08646	7.3
97.02872	5.3
97.06519	3.0
97.10167	23.2
99.04445	14.2
103.03940	2.6
105.07040	3.1
107.04964	2.7
107.08573	10.1
109.02856	2.2
109.10152	57.6
109.10902	3.6
111.04446	3.4
111.08078	3.9
117.07020	1.8
119.08582	5.6
121.06511	2.2
121.10154	3.1
123.04397	1.8
125.09627	26.0
127.03893	3.8
129.63803	1.5
131.08632	2.7
133.10133	2.1
135.08069	1.5
135.11697	1.9
137.09579	2.1
139.03833	2.0
143.10674	6.0
145.04958	4.8
145.10130	3.2
147.04341	2.7
155.10661	7.4
163.11186	6.0
171.11815	1.4
173.09502	2.6
173.11729	40.9
191.10675	1.6
193.12227	3.0
199.13222	1.8
209.08063	3.8
209.11719	1.9
211.11208	2.7
217.14275	9.5
229.14334	97.7
241.14325	3.0
247.13289	2.5
257.13879	5.9
265.14423	7.4
283.15347	2.0
291.34180	1.7
292.31097	1.7
301.16525	1.7
315.17996	6.7
333.19095	23.4
368.23962	2.3
477.23148	4.9
530.23334	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	530.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05502	1.5
57.03428	2.4
61.02913	4.4
67.05481	1.1
68.91318	1.0
69.03432	6.6
69.07062	3.4
71.04995	15.4
73.02897	1.6
73.06551	3.9
79.05483	4.7
80.19738	1.3
81.03413	2.8
81.07057	20.3
83.08615	0.9
85.02903	57.8
85.78275	0.9
87.04452	1.5
91.03946	2.9
91.05472	2.7
93.07051	11.6
95.08588	3.3
97.02885	12.1
97.06523	1.3
99.04466	2.2
107.08595	11.3
109.02888	5.2
109.10173	2.0
119.08601	1.4
127.03914	16.8
135.11702	22.9
139.03880	2.6
145.04961	41.2
147.04463	1.0
147.08073	2.3
153.12743	100.0
163.06015	19.7
245.04961	1.7
289.09546	1.2
325.11395	6.6
337.09552	1.4
413.32529	1.3
531.19360	1.4
545.65686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71289	0.9
55.01870	1.5
55.05507	11.2
57.03438	11.4
59.05002	35.9
61.02919	2.8
63.26738	0.7
67.05505	48.4
69.03415	1.6
69.07072	2.9
69.80547	3.3
71.05002	4.5
73.02915	1.5
79.05494	5.9
81.03418	3.2
81.07048	10.2
83.04985	2.7
83.08622	6.2
85.02911	4.5
85.06548	0.9
87.04465	76.8
91.03995	1.0
91.05460	4.4
93.07035	5.6
94.45455	0.7
95.04953	1.7
95.08601	3.3
97.02900	3.2
97.06529	1.0
97.10189	5.9
98.22747	1.7
99.04462	3.7
103.03946	1.9
105.07027	1.2
107.08557	4.6
109.02783	1.1
109.10155	50.1
111.04401	0.9
111.08092	2.7
111.94063	0.8
117.07002	1.0
119.08591	4.8
121.10165	1.3
122.75864	1.0
125.09614	6.5
127.04005	1.1
135.11713	1.3
137.09618	4.8
143.10690	1.0
145.10072	1.2
149.13165	1.2
153.12679	1.0
155.10690	6.8
159.11632	0.8
163.11163	2.3
173.04436	0.8
173.11737	34.3
181.12177	1.1
191.10681	0.9
193.12296	2.0
214.68726	0.8
217.14296	1.0
229.14342	100.0
230.14626	2.1
257.13852	16.0
269.17505	2.9
270.17795	3.9
333.19080	5.1
445.24408	1.2
477.23187	1.7
530.23865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01873	9.7
55.05261	3.1
55.05512	43.5
57.03424	18.6
57.07076	2.3
57.64070	1.3
58.60781	1.3
59.04997	3.7
60.80731	1.6
65.03960	2.7
67.05504	100.0
69.03431	2.8
69.07068	21.1
70.68177	1.5
71.04998	9.2
73.02924	5.1
73.65109	1.5
79.05492	43.9
81.03419	18.3
81.07057	91.5
83.04986	10.3
83.08618	23.0
85.02893	11.8
85.06547	5.0
87.04485	7.3
91.05480	33.5
93.06461	2.3
93.07042	43.7
93.07607	2.7
95.04977	11.2
95.08606	24.8
95.77670	1.7
97.06530	9.6
97.10167	17.8
99.08073	3.4
103.03985	2.1
105.04486	3.0
105.07030	12.0
107.04963	4.3
107.08588	30.0
107.09270	2.6
109.06531	4.3
109.10154	44.5
109.10905	3.1
111.08057	7.2
117.07016	10.1
119.08555	10.1
121.06525	4.0
121.10149	12.5
123.08064	3.2
123.11721	3.9
125.05959	1.8
125.09632	18.8
129.05501	6.6
129.07002	3.6
131.08560	11.3
132.35408	1.7
133.10136	17.4
135.08067	4.3
135.11685	12.3
137.09637	3.6
143.10672	1.8
145.10123	5.8
147.08095	1.8
147.11699	3.4
149.09634	2.1
149.13251	19.2
151.11125	1.7
153.12750	3.1
155.10667	3.7
159.11679	10.6
163.11169	10.3
173.09648	2.5
173.11749	16.7
177.12755	3.8
177.23579	1.4
181.12259	4.1
191.10645	3.8
195.00371	1.4
195.13823	22.5
195.57364	1.3
199.13286	11.6
209.11664	8.2
227.12733	8.2
229.14331	43.7
239.16496	2.2
257.13907	2.1
267.15900	3.7
269.17462	71.1
278.64941	1.6
283.15567	2.3
288.27536	1.5
301.16418	12.8
393.26187	2.9
411.27319	8.0
423.27298	21.1
424.82166	1.6
445.05453	1.6
495.29480	21.8
513.30713	22.1
514.30676	1.7
547.69061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03930	4.3
55.01875	4.5
55.05517	26.1
57.03427	15.1
57.07075	4.7
59.04998	2.9
65.03947	3.1
66.42818	1.8
67.05505	90.3
69.03450	2.5
69.07066	21.9
71.04993	17.2
72.01395	1.9
73.02922	4.1
79.05492	41.2
81.03418	10.5
81.07057	100.0
83.04983	6.7
83.08614	22.8
85.02897	9.9
85.06540	6.1
87.04475	6.3
89.06037	5.5
91.05475	29.5
93.07047	41.9
95.04981	9.1
95.08598	25.5
97.06512	11.1
97.10178	10.6
98.23505	4.2
105.04557	2.2
105.07037	13.2
107.04958	2.3
107.08599	28.1
109.06529	2.5
109.10155	37.3
110.94111	1.9
111.08111	8.5
111.11764	2.2
117.07010	8.0
119.08583	7.2
121.06498	4.3
121.10139	13.8
123.08057	1.9
123.11736	8.5
125.09620	9.8
129.05408	4.0
129.07074	1.9
131.08545	9.3
133.10143	18.5
133.80171	1.9
135.08049	2.5
135.11710	11.0
137.09601	2.1
145.10107	2.9
149.09538	2.8
149.13239	18.3
151.11237	6.1
153.12723	2.5
159.11641	10.3
163.11244	6.6
173.11694	9.9
177.12817	4.9
183.13887	1.9
191.10663	3.9
195.13786	15.9
199.13354	8.3
209.11722	4.4
213.14752	1.9
225.14912	2.1
227.12747	3.2
229.14342	39.2
267.15906	2.3
269.17465	56.8
301.16443	10.3
301.20108	11.0
411.27490	3.5
423.27423	15.0
437.29034	34.5
451.30667	7.6
463.30457	36.0
495.33917	16.9
513.30542	7.1
530.27844	12.3
530.35052	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	530.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
54.97830	1.4
55.01874	2.2
55.05514	17.4
57.03437	11.1
57.07076	17.5
59.05011	1.9
65.03941	2.0
67.05507	78.1
69.07074	15.9
71.04993	25.3
73.02915	3.1
73.06575	2.1
79.05495	32.1
79.05956	2.2
81.03414	4.0
81.07059	100.0
83.04989	5.4
83.08627	14.4
85.02895	2.2
85.06549	8.1
87.04467	12.9
89.06036	18.4
91.05486	24.7
93.07044	44.9
95.04946	6.8
95.08611	18.7
97.06528	8.6
97.10161	4.6
99.08137	1.7
105.04534	2.4
105.07020	11.4
107.08595	25.7
109.06492	2.6
109.10174	12.1
111.08095	5.0
117.07042	6.9
119.08547	3.6
121.06530	6.5
121.10146	10.8
123.08025	1.4
123.11691	11.3
125.09624	2.6
131.07021	2.4
131.08545	8.0
133.06491	1.9
133.08614	10.2
133.10117	16.1
135.08092	2.6
135.11659	7.5
139.11131	1.3
145.10124	1.4
147.08078	2.5
147.11662	1.8
149.13274	18.2
151.11206	4.6
154.85542	1.3
155.53169	1.2
157.10159	1.4
159.11687	11.9
162.11789	1.2
163.11218	2.4
165.09109	1.9
175.11140	1.8
177.11218	4.4
177.12747	5.0
179.10098	1.2
183.13768	2.8
187.13261	2.2
195.13788	9.5
209.11777	2.0
213.14905	2.3
229.14381	10.8
233.18924	1.6
269.17496	39.8
275.20236	2.4
277.21622	3.8
283.15424	1.6
301.16730	1.8
301.20010	16.7
423.26920	2.9
437.29019	64.8
451.30548	11.5
463.30533	60.4
464.30893	3.8
495.33423	32.7
513.30359	2.7
530.29248	2.3
530.36639	3.1
530.79877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2952
Annotation	Methyl lucidenate E2
Peak:m/z	Relative Intensity
53.03934	0.5
53.93219	0.2
55.01849	0.4
55.05514	1.2
57.07057	0.5
59.36527	0.2
65.03902	0.8
66.04704	0.3
67.01848	0.7
67.05504	3.1
68.99770	1.0
69.03390	0.3
69.07031	0.8
69.30645	1.2
75.04439	0.7
79.05122	0.2
79.05483	2.6
81.03375	0.4
81.07050	2.5
83.01308	0.5
83.04931	0.5
85.02883	0.4
87.04433	0.7
91.05467	2.0
93.06996	1.0
94.04150	0.8
95.04964	3.0
95.08566	1.1
95.46970	0.2
97.06478	0.4
98.22685	0.5
98.23383	0.7
103.05443	0.4
105.03378	0.5
105.04485	0.5
105.07000	1.2
107.04936	1.9
107.08562	0.3
108.05711	0.4
109.02860	0.6
109.06522	2.7
109.10131	0.5
110.03645	0.4
110.56875	0.2
111.04418	1.2
111.08034	0.3
115.05422	0.6
117.07011	0.7
119.04944	0.4
119.08598	0.3
121.06493	1.7
121.10094	0.5
122.03585	0.7
123.04424	8.3
123.08035	0.7
124.05158	1.0
125.02345	0.4
125.05977	2.7
127.03858	0.4
129.06985	0.4
131.08521	0.3
133.06435	1.1
135.08040	0.6
136.05165	0.5
137.05980	5.6
138.03168	0.3
138.06703	0.7
139.03894	5.2
139.07535	4.8
139.45364	0.2
140.04659	1.9
141.05460	2.0
143.08487	0.4
145.06461	0.5
147.04375	0.8
147.08022	0.7
149.02303	0.7
149.05954	0.7
151.03906	0.8
151.06351	0.4
151.07536	7.0
152.04674	4.5
153.01880	0.5
153.05457	14.4
154.06265	1.6
155.03333	0.7
155.07005	2.5
159.08075	0.4
161.05963	2.0
161.09538	0.3
162.06764	0.3
163.03870	0.8
163.07544	1.3
165.05470	0.3
165.09082	1.0
166.06311	1.6
167.03389	51.4
167.07021	11.8
168.04175	11.3
168.07745	0.9
169.04961	4.9
169.08566	1.0
170.05666	0.5
173.05992	0.3
175.07494	1.7
176.08284	0.4
177.05498	1.6
177.09096	2.1
178.06226	0.5
178.09650	0.3
179.07025	1.6
179.10744	0.3
181.04950	1.1
181.08600	1.3
182.05736	100.0
183.06506	9.5
184.07294	0.9
185.78232	0.3
188.32376	0.3
189.09052	0.4
191.07021	1.2
191.10684	0.7
192.07819	0.3
193.04878	0.4
193.08600	4.6
195.06506	0.6
196.07332	1.3
197.08076	37.3
198.08408	0.4
199.07516	0.3
201.09125	0.3
205.08617	0.5
206.27785	0.3
207.10143	3.6
209.08138	0.4
211.09627	0.6
213.09157	0.4
217.08664	0.6
219.10243	0.4
221.08115	0.4
231.10170	0.5
407.22278	0.5
411.25580	0.3
421.24158	0.3
435.21915	0.6
439.24799	1.2
449.23575	0.5
453.26221	0.3
467.24438	2.1
471.27356	1.9
481.25952	0.9
484.24658	0.6
499.26880	7.4
499.34290	0.4
500.27652	0.4
503.30005	2.7
513.28369	0.6
513.35773	1.4
531.29633	12.2
531.38745	1.3
532.29956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.332
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
55.01882	1.6
55.05517	4.7
57.07077	4.4
62.26470	0.8
65.03947	1.9
66.04701	1.0
67.05505	10.5
68.99778	2.0
69.07079	5.5
69.11325	1.7
69.11733	4.8
71.08628	3.3
76.12952	0.8
77.03945	1.0
79.05492	7.9
81.03424	2.4
81.07076	7.1
83.04979	1.2
83.08624	2.9
85.02934	0.9
87.04474	0.8
88.19212	0.8
91.05486	7.2
93.03409	1.1
93.07050	4.3
94.04185	1.3
95.04974	10.4
95.08608	4.6
97.02864	0.7
97.06545	1.5
97.10153	1.5
101.60635	1.0
102.51103	0.9
103.05444	1.1
105.03372	1.7
105.04548	1.1
105.07005	4.7
107.04964	6.0
107.08611	1.9
108.05744	1.6
109.02865	1.0
109.06497	3.5
109.10178	1.9
110.03693	1.1
111.04456	3.6
111.08053	1.1
112.67907	0.9
115.05381	0.9
117.07024	1.9
119.04955	1.3
119.08585	1.2
121.02876	0.9
121.06519	7.0
122.07307	2.1
123.04433	21.9
123.08078	4.6
123.11682	1.1
124.05190	5.4
125.05993	9.0
126.03159	1.2
131.04951	0.8
131.08598	1.4
133.06483	3.6
135.04440	2.3
135.08052	6.4
136.05212	4.0
137.05981	13.3
137.09621	1.8
138.03157	1.1
138.06770	3.9
139.03896	18.6
139.07542	27.7
140.04681	3.9
140.39331	0.9
141.05467	7.6
145.06456	2.0
147.04401	1.0
147.08054	1.6
149.02336	3.1
149.05983	2.8
149.09608	2.3
150.06728	1.6
151.03940	5.7
151.07562	20.5
152.04715	2.9
152.08328	22.5
153.01880	2.0
153.05470	38.0
153.09087	5.8
154.02673	1.1
154.06247	10.7
155.03357	1.4
155.06984	4.0
159.04369	1.3
159.08020	1.2
160.05161	0.9
161.05997	5.2
161.09616	1.1
163.03900	7.1
163.07494	4.9
165.05487	3.7
165.09132	20.0
166.06268	36.8
166.09892	2.4
167.03398	16.1
167.07047	55.6
168.04187	100.0
168.07819	92.8
169.04973	37.7
169.06462	1.4
169.08521	3.4
173.06044	2.0
175.07597	3.4
176.08344	1.8
177.05487	4.9
177.09082	4.4
179.07037	6.5
179.10637	1.2
180.07796	11.3
181.05023	1.5
181.08603	34.7
182.05771	13.6
182.09369	19.4
183.06573	24.1
183.10165	49.9
187.07549	1.6
189.09093	2.2
191.07045	4.0
191.10674	2.8
193.08571	8.8
195.06577	2.4
195.10182	23.8
197.08095	3.8
197.11772	6.7
201.09189	1.2
203.10773	0.9
205.08603	1.9
206.38115	0.8
207.10179	9.1
209.08162	1.0
213.09007	0.8
219.10149	1.9
221.11661	5.9
241.08804	0.9
246.10239	0.9
261.22159	1.0
289.21539	1.6
301.10736	1.3
303.23291	1.2
317.10263	1.2
317.21066	3.3
321.24271	6.8
331.22607	3.5
349.23752	1.7
402.38425	0.9
435.25104	0.9
467.28027	3.8
468.28760	1.4
471.30954	1.1
481.29779	1.4
484.28244	1.0
499.30576	12.6
500.30933	1.0
503.32629	0.9
513.32227	4.5
516.30975	8.2
531.33179	15.4
531.40466	1.2
532.33740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89776	1.3
77.65997	0.7
79.30423	0.7
81.07074	0.9
88.99797	1.0
90.78205	1.0
90.78781	0.8
99.30564	0.8
104.99281	3.1
121.10186	1.0
128.64149	0.8
143.11629	0.8
151.42986	0.8
165.50117	0.8
177.01358	1.4
185.68027	0.9
201.16335	0.9
282.42511	0.8
356.84259	1.0
405.22385	5.7
445.21637	2.2
487.22803	2.5
531.23212	9.9
531.35010	100.0
532.35138	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	531.3659
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
55.05509	0.9
67.05499	2.7
69.21382	3.4
74.55554	0.6
79.05489	2.4
81.07064	3.2
91.05492	1.3
92.86899	0.6
93.07067	2.8
95.08611	2.2
97.24289	0.5
104.47369	0.5
105.07069	0.8
107.08590	1.3
109.10155	1.6
117.07103	0.6
121.10148	1.0
133.10028	0.7
135.11656	0.9
163.10956	1.1
181.08357	1.4
205.12036	1.1
221.11475	0.8
223.13017	2.1
235.57233	0.5
243.21082	1.0
261.22214	2.4
263.12604	0.8
264.13397	0.6
277.14194	1.1
320.19696	2.0
326.91071	0.7
330.88535	0.8
331.22589	3.5
331.26111	0.7
332.23395	0.9
347.25476	1.0
353.26666	0.9
385.91257	0.6
417.29739	1.8
444.32101	2.7
457.32889	29.2
466.31308	0.6
513.35522	100.0
514.36298	10.6
531.27100	1.9
531.36285	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	532.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
67.05494	6.0
69.03419	1.4
69.07078	1.7
69.14540	3.4
69.14938	6.1
73.02869	1.6
79.05484	6.1
81.07057	12.8
85.02895	4.3
91.05486	12.2
93.07026	7.7
94.53402	1.3
95.01285	2.7
95.05001	1.5
95.08601	15.1
97.02895	2.9
105.03425	2.5
105.07015	14.6
107.04964	2.6
107.08591	5.7
109.06523	1.5
109.10183	2.1
111.04424	1.9
115.03965	2.0
117.07009	10.6
119.08576	4.6
121.06496	2.8
121.10116	1.8
125.05988	2.3
131.08557	16.1
133.10162	2.1
141.01811	3.9
141.07127	1.5
143.08537	7.2
145.06514	1.8
145.10132	12.8
147.11702	3.0
149.06030	1.7
155.08511	3.1
157.10097	1.6
159.08086	2.3
163.07545	1.6
167.06979	1.5
169.08519	2.1
173.09592	2.5
173.13258	42.9
183.11702	6.2
185.13275	1.7
191.14304	1.7
201.12740	26.9
203.17944	5.8
219.13823	6.1
229.12303	7.5
247.13243	7.5
265.14252	1.4
275.16382	2.4
293.17532	4.5
303.15851	12.5
314.04794	1.3
321.16940	100.0
322.17389	2.7
335.22275	2.2
339.17975	6.3
383.04272	1.6
479.18768	4.0
497.20184	4.7
532.23199	3.3
532.30212	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	532.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53142	0.4
53.03938	0.5
55.01870	0.8
55.05504	0.6
57.03433	1.3
57.07064	0.5
61.02907	1.9
65.88348	0.5
67.05514	3.0
69.03423	4.1
69.07062	1.0
69.11499	2.0
69.11906	1.0
71.04977	0.5
73.02921	1.3
79.05476	0.7
81.03412	1.8
81.07047	1.4
85.02901	20.2
91.03957	0.6
91.05464	3.1
93.07028	1.7
95.04968	0.6
95.08592	1.0
97.02894	5.2
99.04444	1.0
100.89238	0.5
103.03938	0.6
103.05457	0.8
105.07023	2.6
107.04973	2.2
107.08555	0.9
109.02882	1.8
115.03941	0.9
116.06237	0.9
117.07011	0.7
119.08578	0.7
121.06493	8.3
121.10146	1.0
123.04423	1.9
125.05972	0.8
127.03915	4.3
129.96336	0.5
131.08577	6.9
133.04941	0.5
133.06523	0.6
133.10127	0.6
135.04430	1.1
135.08037	1.9
137.05980	8.6
143.08566	0.5
145.04955	6.5
145.06200	0.7
145.06557	0.7
145.10086	1.1
147.04378	2.2
149.06029	2.3
149.09518	0.6
150.49216	0.5
151.07484	0.5
157.10170	0.6
158.07251	1.2
159.08070	2.8
160.08849	2.5
161.05962	2.4
162.06773	5.7
163.05997	2.1
163.07527	4.5
163.11182	3.3
173.09595	1.3
173.13252	0.5
174.06766	1.0
175.07530	1.5
176.08308	7.6
187.07436	0.5
189.09090	0.9
191.10654	100.0
192.11005	1.5
201.09102	1.2
201.12582	0.7
201.16412	0.9
203.10632	4.6
203.17889	0.7
215.10681	5.8
220.17705	0.5
227.10524	0.7
233.11693	3.5
257.11694	2.3
299.12750	0.8
303.72192	0.5
317.13925	2.7
321.16858	0.7
335.14911	0.7
335.22198	1.0
353.16229	0.8
401.06625	0.5
531.38324	0.8
531.86072	1.4
532.23999	1.9
532.38428	0.8
533.23737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01876	10.3
55.05512	3.8
55.97850	1.3
57.03444	1.7
66.45378	1.1
67.05501	4.5
69.03427	12.9
69.07070	8.8
70.02233	2.3
70.02548	2.1
71.04992	5.7
73.02911	1.8
79.05483	9.3
79.19290	1.3
81.03031	1.8
81.03424	20.0
81.07047	15.7
83.01350	1.5
83.04982	4.0
85.02892	5.6
85.06555	6.3
91.05494	6.7
92.38881	1.3
93.07040	24.4
95.04955	4.9
95.08582	10.8
97.02884	4.7
97.06525	9.8
99.04445	9.8
105.07022	18.5
107.04920	2.5
107.08590	34.4
109.02875	20.9
109.06518	10.1
109.10144	3.3
111.04475	2.4
111.08078	4.3
113.05997	4.2
117.07013	3.0
119.08582	8.2
121.06522	11.2
121.10139	20.5
123.04438	2.2
123.08079	6.6
125.09729	1.3
127.03903	18.9
127.07538	2.2
130.37601	1.4
131.08531	4.0
131.62543	1.5
133.06519	1.8
133.10120	2.0
135.08072	4.7
135.11699	11.6
137.06013	1.3
137.09641	3.0
139.03914	14.1
139.11162	2.7
140.04256	4.0
145.10127	20.4
147.04359	1.6
147.07986	1.8
147.11690	3.3
149.05850	1.4
149.09578	9.1
151.07507	7.2
153.12711	1.9
161.09636	2.9
163.03787	1.7
163.07588	2.3
163.11177	49.6
165.09108	3.1
167.10645	15.8
169.08598	58.2
173.09615	5.1
181.12238	11.6
185.11803	4.1
189.09019	1.8
191.10634	28.1
206.53006	1.4
209.11716	33.7
217.04897	2.5
227.12770	100.0
231.13925	1.7
231.17650	1.4
245.13869	1.5
246.58929	1.5
249.14966	1.8
269.13779	6.4
271.13095	2.1
275.12781	1.8
275.71155	1.2
289.14313	4.0
290.21692	1.2
311.14798	1.7
312.73325	1.4
317.13867	3.3
321.17041	1.9
329.16022	2.0
335.14896	7.8
353.15900	32.5
371.16989	23.6
389.18118	2.5
532.18146	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
63.08961	0.9
67.05496	2.3
69.03440	2.1
69.07066	2.8
71.04984	1.2
78.19950	0.8
79.05492	2.7
81.07071	8.0
85.02898	1.9
91.05483	4.2
93.07051	8.2
93.89165	0.9
95.08611	8.6
97.02903	1.1
105.07037	16.3
107.08580	7.4
109.10163	10.0
117.07029	1.1
119.08592	6.5
121.10176	6.1
123.04482	2.0
125.09644	1.0
131.08546	3.7
133.10139	3.2
135.08116	1.0
135.11685	3.6
137.05946	1.7
137.09613	15.8
139.03951	1.0
143.08548	2.0
145.10097	4.8
147.11714	4.1
149.09605	2.2
149.13266	2.6
153.09169	0.9
155.08560	2.6
157.10127	4.0
159.11679	6.1
161.09636	1.1
161.13252	2.8
161.38042	0.8
163.07452	1.1
163.14940	1.1
165.09106	1.2
169.10129	18.9
171.11642	4.6
173.13287	2.9
175.14883	1.1
177.09132	1.5
177.12695	1.3
183.11665	4.1
185.13284	1.9
187.14850	2.5
189.12648	1.0
191.10681	1.3
195.11775	1.0
197.13242	10.6
201.16383	1.7
203.14401	1.0
203.18045	2.0
211.14839	3.4
213.16389	1.4
215.17995	1.8
217.12358	1.6
225.16360	16.8
227.17979	2.0
229.19569	1.2
231.13734	1.6
241.19537	2.6
243.13821	10.9
243.17493	4.9
243.21063	12.9
249.14891	2.6
253.15710	1.1
253.19519	25.0
255.21104	1.0
271.17209	2.8
271.20560	44.4
287.20062	2.7
289.21555	5.3
299.20050	100.0
300.20343	2.9
304.08423	1.0
317.21118	60.4
318.21454	1.7
335.22269	6.5
346.34415	0.9
532.23865	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	532.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.0
55.05508	13.3
57.03431	15.6
59.04997	3.6
67.05505	44.5
69.03432	44.9
69.07065	10.5
73.02928	7.0
79.05501	46.4
81.07058	54.0
83.08598	7.7
85.02902	39.7
87.04476	27.8
90.53074	3.7
91.05482	64.0
92.56296	3.9
93.07048	94.7
95.04969	10.2
95.08021	7.7
95.08610	82.6
97.02888	36.6
97.10165	11.2
103.78431	3.5
105.07036	80.1
107.08604	73.5
109.10157	63.3
115.03943	51.2
115.15196	4.3
119.08582	53.8
121.10155	57.4
123.11722	15.1
127.03927	5.6
133.04967	36.9
133.10146	64.8
133.11107	2.7
135.11699	15.4
145.04961	9.5
147.11681	92.5
150.07648	11.9
159.11732	5.3
161.13287	21.1
175.14853	15.5
189.16357	4.6
203.17967	100.0
245.44171	3.8
327.76501	4.3
344.83688	4.4
364.25238	4.0
411.36264	3.8
532.39874	28.4
538.57941	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	532.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99601	1.8
53.03943	2.8
55.01873	2.4
55.05507	11.0
57.03224	1.7
57.03439	19.2
59.16045	2.0
59.43258	1.5
60.04523	2.6
61.02916	5.8
65.03926	2.4
67.05503	24.8
69.03062	2.7
69.03432	43.8
69.07063	10.6
70.26447	3.7
71.01327	2.3
73.02917	33.0
79.05486	21.0
81.03400	2.1
81.07056	43.3
83.05009	2.1
83.08594	3.4
85.02905	36.9
87.04474	17.1
91.04945	2.7
91.05484	38.8
93.07050	40.3
95.04964	6.8
95.08602	72.6
97.02895	36.0
105.04527	2.8
105.07032	98.0
106.55620	2.3
107.08598	47.9
109.02872	2.7
109.10155	56.9
113.81676	1.9
115.03121	2.5
115.03931	48.8
116.08098	1.9
117.07016	2.7
119.08580	100.0
120.08916	2.2
121.10139	26.5
123.11716	13.3
127.03904	13.3
129.07001	2.1
131.08592	5.8
132.06474	1.8
133.04962	37.3
133.10127	50.6
133.11143	2.6
135.11705	8.5
137.13272	2.6
145.04936	10.9
145.10118	5.5
147.11685	96.1
150.07660	11.0
157.10149	2.9
159.11682	2.8
161.13255	43.0
163.05975	6.8
167.66835	1.9
175.14784	11.9
189.16376	5.2
201.16449	4.1
203.17953	77.7
215.17853	2.1
220.20587	2.6
221.18985	3.2
241.07027	2.6
259.08185	5.1
277.09094	2.8
295.10278	5.8
299.20142	3.4
322.42410	2.1
335.22125	8.1
365.23267	5.0
479.47601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70744	2.4
55.05510	11.0
57.03438	2.8
57.07077	4.2
59.87086	2.7
59.96806	2.5
61.02916	2.5
67.05506	63.4
69.03417	2.7
69.07085	12.1
69.18871	8.7
69.19283	7.3
69.27763	2.2
71.04972	2.6
77.60170	2.2
79.05489	46.0
81.07056	70.8
83.08615	8.9
85.02899	5.4
85.06567	2.6
91.03975	3.1
91.05489	23.4
93.07045	57.4
95.04930	4.9
95.08601	56.5
95.58594	2.5
97.06541	2.8
97.10197	2.9
98.22761	7.6
98.23437	5.4
104.68511	2.6
105.07030	20.6
107.08598	32.8
109.06598	3.2
109.10156	27.0
117.07037	8.3
119.08602	15.8
121.10146	34.0
123.11731	14.5
131.08583	21.2
133.10139	11.8
135.11687	25.3
137.13269	5.3
145.10124	17.4
147.11707	9.5
149.13257	22.4
159.11736	13.8
161.13268	9.3
163.14838	17.1
165.12738	3.7
173.13298	20.1
175.14816	4.2
177.16428	8.5
179.14436	3.2
187.14825	10.9
233.22693	3.7
243.21101	36.4
261.22134	100.0
262.22318	3.7
335.25781	16.2
353.26871	37.2
387.89804	2.6
392.25241	2.5
533.93115	2.5
540.99872	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.57125	1.1
55.01871	1.6
55.05511	11.0
57.03440	5.0
57.07074	4.2
61.02915	4.9
61.17985	1.0
65.03944	2.3
67.05504	75.3
69.03434	2.3
69.07069	13.6
69.19000	4.7
71.04988	3.6
71.08645	1.9
73.02924	1.5
75.04482	1.3
77.69878	1.1
79.05126	0.6
79.05492	39.3
81.07056	82.3
83.05000	1.9
83.08617	8.0
85.02895	5.3
85.06542	3.7
91.03963	1.4
91.05482	19.5
93.06444	2.3
93.07042	51.8
95.04957	4.0
95.08605	62.7
97.02893	2.1
97.06516	3.9
97.10156	4.0
98.23229	4.9
99.08099	2.0
101.28004	1.0
102.89169	1.0
104.74435	1.1
105.04556	1.7
105.07040	17.2
107.08588	32.4
109.06513	1.7
109.10155	33.3
111.08089	1.7
111.11703	1.3
113.09675	1.6
117.07028	10.5
119.06100	1.4
119.08575	15.9
121.10146	33.1
123.08039	1.5
123.11707	17.3
131.08571	19.2
133.10114	12.8
135.11691	28.6
137.09659	1.7
137.13257	7.1
144.53949	1.0
145.10136	15.2
147.11687	12.9
149.09715	1.8
149.13246	18.0
151.11221	1.7
151.14877	1.1
159.11693	12.8
161.13268	13.3
163.11183	1.8
163.14821	13.3
165.12767	3.0
173.13255	16.2
175.14856	4.7
177.12819	1.5
177.16357	4.3
179.14354	2.3
187.14789	7.0
191.14305	2.3
201.16391	3.0
205.15898	2.1
215.18004	1.7
219.17361	1.2
233.22711	2.8
243.18623	2.0
243.21074	32.9
254.54671	1.1
261.22131	100.0
262.22452	2.6
263.23749	1.4
279.23267	5.7
335.25790	30.1
353.26828	33.6
359.15793	1.1
497.31369	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07925	1.4
55.05520	2.9
65.03925	1.5
67.05502	4.7
69.07072	3.3
70.63322	2.3
79.05500	3.9
80.73691	1.5
81.07073	4.2
83.04992	1.8
84.52516	1.4
91.05494	2.0
93.07082	1.7
95.04967	4.3
95.08615	2.7
97.06513	2.5
103.05441	1.4
105.07023	2.7
107.04979	5.0
109.06512	2.9
109.10172	2.0
110.03702	2.3
111.04443	2.8
121.06499	5.4
123.04440	9.2
124.05139	1.4
125.05990	59.3
133.06483	2.6
135.08102	3.7
137.05972	23.0
139.03932	7.5
139.07529	12.7
140.04692	8.2
145.10126	1.6
149.05988	1.9
149.09683	1.7
151.03918	3.6
151.07530	17.7
152.04692	55.9
152.07909	1.7
153.05472	100.0
154.06293	10.6
155.07098	3.3
161.05965	3.0
163.07545	13.6
166.06322	2.5
167.07045	63.6
175.07584	2.5
177.09102	22.8
179.07051	6.6
181.08624	6.7
191.10628	3.2
193.08591	9.8
207.10240	3.5
229.12109	1.5
257.08072	2.1
273.07605	3.3
287.09335	1.7
289.10883	2.5
333.24265	4.3
423.25327	2.7
437.26996	8.1
455.27951	23.1
469.29605	21.1
470.30075	1.5
487.30600	79.7
488.30984	2.0
524.15857	1.7
532.27332	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50588	1.4
55.05505	2.5
57.07075	1.7
60.79736	1.5
67.05504	4.1
69.07073	2.1
69.35003	3.3
69.35407	3.5
71.51876	1.2
79.05470	3.1
81.07061	3.4
87.13124	1.3
91.05484	3.7
93.07041	1.5
95.04972	1.6
95.08615	2.6
95.91567	1.2
105.07001	4.0
108.10859	1.5
109.06526	1.7
112.89384	1.4
117.07085	1.9
119.81628	1.3
121.06506	12.1
125.05992	23.9
133.06432	1.6
135.08069	7.5
137.05983	7.9
139.03896	2.8
139.07608	2.8
145.02811	2.2
146.07272	2.1
147.08070	3.3
149.05989	1.7
151.03963	1.6
151.07533	30.5
152.04698	2.0
153.05455	34.7
153.09061	2.1
161.05971	1.9
162.06793	2.3
163.07542	4.5
164.92184	1.9
164.93930	1.3
165.07846	2.2
165.09105	17.2
166.06198	3.2
167.06921	2.7
168.04227	3.4
175.07562	2.1
176.08165	1.7
177.05493	5.4
177.09106	76.3
178.05832	2.5
179.07021	3.8
181.66992	1.8
189.09129	2.2
191.10664	27.6
193.08669	3.3
203.10728	2.1
205.12119	3.4
207.10127	1.7
226.03122	1.7
285.11288	1.8
290.33679	1.5
317.21042	2.5
329.24796	5.2
451.28241	6.0
469.29544	100.0
470.29797	3.4
497.28867	3.5
528.18304	1.6
532.27057	2.8
532.40601	1.7
533.28381	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	532.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77453	0.6
55.05505	1.5
57.07053	1.2
65.03964	0.9
66.40889	0.7
67.05504	3.3
69.07060	1.3
69.31577	3.3
78.07368	0.7
79.05489	2.1
81.03453	0.9
81.07060	2.6
91.05481	5.0
95.04958	2.2
95.08624	3.2
97.06519	0.9
98.20192	0.7
103.05482	1.2
105.06999	3.4
107.04975	1.4
109.06561	0.9
111.04486	0.8
112.90215	0.8
115.05499	1.1
117.07048	1.2
119.08512	1.1
121.06512	10.3
123.04472	2.0
125.05999	18.5
129.06978	1.0
132.22639	0.7
133.06538	1.2
135.08047	4.9
137.05969	6.0
139.03911	1.5
139.07571	3.7
140.04752	0.8
145.06516	1.1
146.07303	2.1
147.08066	2.9
149.09602	1.2
151.07553	26.0
151.08745	1.6
152.08003	1.5
153.05479	24.4
153.06674	1.4
153.09091	2.3
159.08041	0.8
160.08929	1.2
161.06017	3.1
162.06720	1.8
163.07567	2.8
165.09137	17.0
165.67502	0.7
166.09433	0.7
166.43433	0.7
167.03371	1.0
167.07062	3.0
175.07544	2.1
176.08348	2.0
177.09116	63.3
178.09334	1.0
179.07089	2.5
181.08621	1.0
182.05807	1.6
183.06517	2.7
184.07091	0.8
191.06940	0.8
191.10672	22.4
192.11075	1.1
193.08624	3.2
195.00424	0.7
197.08162	1.1
203.10606	1.0
205.12294	2.3
207.89375	0.6
241.02058	1.0
317.21188	1.3
329.24814	5.0
390.06219	0.9
451.28363	4.4
469.29547	100.0
470.29816	3.5
500.31055	0.9
514.32581	0.9
532.40527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05501	4.4
57.07069	2.4
67.05492	5.0
69.07074	5.5
69.45503	3.9
79.05484	5.2
80.76695	1.2
80.78513	1.2
81.03398	1.4
81.07052	7.1
83.08595	2.3
91.05452	1.8
93.07027	2.2
95.04955	4.1
95.08603	4.0
97.10120	1.6
103.05542	1.1
107.04946	5.9
107.08598	1.5
109.06509	2.9
109.10126	2.0
121.06460	4.0
121.10113	1.5
123.04441	13.9
124.05203	2.6
125.02311	1.6
125.05984	4.7
135.08008	1.9
137.05972	87.7
138.06354	1.2
139.03922	2.3
139.07544	10.5
140.04684	28.9
141.05467	1.7
149.05949	1.7
151.07550	14.9
152.04675	17.1
153.05464	14.1
153.09140	1.9
154.06259	2.4
155.07011	10.5
163.07521	15.4
166.06270	1.4
167.07030	20.2
175.07530	5.5
177.09109	8.3
181.08505	1.8
182.05756	1.2
189.09084	2.6
191.10631	1.8
193.08524	1.4
203.10645	3.5
217.12263	2.3
227.07097	1.5
241.08556	2.9
243.10320	1.2
255.10103	1.9
257.08188	1.5
259.09485	1.6
271.09628	2.3
309.63403	1.2
377.26694	1.5
465.30017	10.0
483.31042	15.6
497.32440	2.4
500.31387	1.7
515.33643	100.0
516.33893	3.4
532.31342	1.9
532.39026	11.9
533.29187	22.1
534.86670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.4
57.07079	2.0
66.04699	1.1
67.05496	2.9
68.99783	1.0
69.07060	2.7
69.27383	1.6
69.27795	2.5
79.05499	6.5
79.28335	0.7
81.07043	4.7
83.08605	1.5
88.73554	0.8
91.05501	1.5
93.07038	1.8
94.04185	1.5
95.04948	2.5
95.08603	2.7
97.10167	1.4
105.03355	2.0
105.04518	1.3
105.07025	1.4
107.04942	4.6
108.20267	0.7
109.06512	8.4
109.10132	1.3
121.06498	1.9
123.04428	8.8
125.06022	4.7
126.03205	0.9
133.06520	1.0
133.08565	0.9
135.07988	1.3
137.05981	100.0
139.03877	1.3
139.07539	9.0
140.04698	5.1
141.05473	1.9
149.09676	0.9
151.07544	7.1
153.05449	6.2
153.09050	0.7
155.07060	1.3
157.73297	0.8
161.05974	1.2
163.07567	8.4
165.09056	0.9
167.03299	0.9
167.07047	10.5
168.04150	1.8
169.04944	5.2
170.05312	1.3
175.07541	3.2
177.05389	0.9
177.09087	5.3
182.05788	1.1
183.06511	2.5
184.06929	0.9
189.09073	1.5
191.10709	1.0
193.08612	1.7
199.07382	0.8
203.10609	2.2
213.09026	0.9
217.12244	2.0
227.07135	1.2
241.08615	1.6
255.10312	0.9
257.08194	1.3
271.09668	2.0
279.61649	0.8
283.09555	1.0
341.25024	1.3
385.36697	0.8
433.27505	2.3
465.30002	13.7
483.31079	26.2
487.30557	1.7
497.32541	1.5
501.28174	2.8
504.30273	2.1
515.26202	1.6
515.33716	27.2
532.29413	3.4
532.40637	1.1
533.29004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.4
67.05507	8.3
69.07058	3.9
69.23230	4.7
69.23631	11.5
71.04330	2.3
79.05485	10.1
81.03421	3.1
81.07053	9.1
91.05483	7.2
93.07029	2.6
95.04958	6.6
95.08600	4.7
97.06488	3.7
107.04951	13.0
109.06513	4.7
121.06519	12.5
123.04414	10.8
124.05213	14.2
125.05994	58.5
135.08101	4.8
137.05968	34.4
139.03876	6.7
139.07545	56.3
141.05531	2.7
147.08022	4.0
151.07562	24.7
153.05464	69.2
154.06178	3.4
159.08072	2.3
161.05971	6.8
163.07532	26.0
167.07030	100.0
169.04994	2.6
175.07581	5.3
177.09117	36.3
179.07057	7.1
191.10608	5.7
193.08635	7.9
259.42209	2.6
263.18323	2.4
315.23160	6.8
333.24350	6.1
423.25177	3.7
427.28302	3.0
437.27014	13.1
455.27866	50.5
469.29684	14.3
487.30533	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
60.81923	0.8
65.03924	1.0
67.05492	3.3
69.07063	2.4
69.19798	1.0
69.20099	5.1
79.05492	3.1
81.07068	5.2
83.01329	1.4
83.08612	1.3
91.05502	4.5
93.07034	3.3
95.04958	1.4
95.08600	2.1
97.10193	1.4
98.22970	3.8
104.10728	2.1
105.04478	1.4
105.07022	1.3
109.06548	4.2
111.08035	0.9
121.06502	4.3
123.08095	4.7
125.06022	2.1
135.08084	1.3
137.05971	100.0
139.07562	8.6
140.04683	4.1
147.08035	1.9
151.07536	54.3
152.07881	0.8
153.05470	3.5
155.07051	2.6
161.05849	1.2
163.07536	7.6
165.09114	1.1
165.66080	0.8
167.07043	8.6
175.07536	3.7
177.09090	3.5
179.10757	0.9
189.09085	1.5
191.10672	1.5
193.08705	1.2
203.10695	1.5
217.12437	1.2
232.19780	1.1
239.10484	1.5
241.08778	1.0
255.10124	1.5
266.91928	0.8
317.24738	1.3
341.24561	2.5
359.25800	4.7
429.37509	1.1
447.28979	2.8
448.17154	0.8
465.30072	7.1
479.31793	1.8
483.31174	12.3
497.32632	5.7
515.33679	57.0
516.33923	2.4
532.25208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96448	1.6
57.07074	81.9
61.24808	1.8
69.07063	1.7
69.60790	5.7
79.05515	1.8
81.56884	1.7
87.04453	10.4
89.06026	100.0
89.53320	1.7
91.05476	8.8
93.07049	12.0
95.04966	5.3
95.08667	1.9
98.06834	1.5
103.05506	4.6
105.04570	2.0
105.07018	2.5
107.04936	2.7
107.08574	2.4
113.13286	2.1
118.07798	4.3
119.04948	3.3
119.08593	5.7
121.06501	52.5
121.10157	2.6
123.08099	2.7
130.08701	2.2
131.07024	3.1
133.08601	75.1
135.08049	4.4
135.11617	1.9
147.08034	15.5
149.09663	4.9
150.06796	2.7
163.11273	2.0
165.09096	23.0
167.10741	2.4
175.09764	2.1
177.11229	28.6
177.12691	1.9
191.10715	3.8
195.38181	1.6
209.11708	15.2
211.13309	3.7
221.13834	7.2
233.19032	22.6
235.13356	3.1
253.14290	3.2
259.20581	3.3
265.70483	2.0
271.15332	2.1
277.21628	37.6
303.23016	1.8
315.18030	6.3
321.24203	15.5
359.20520	4.7
403.23242	49.0
403.62283	1.7
471.32721	1.8
515.35687	53.6
532.38232	10.6
534.55676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40495	0.8
57.06820	1.2
57.07081	16.0
59.05007	1.3
64.99650	0.8
67.05500	1.7
73.02917	2.3
73.06553	1.5
79.05478	1.1
80.05523	1.0
81.07056	1.9
84.04505	3.8
85.84235	0.7
87.04470	19.4
89.06034	100.0
90.06354	3.0
91.05479	2.6
93.07025	1.5
95.08601	1.2
98.22675	1.6
105.07045	0.9
107.07053	2.1
109.10145	0.8
113.13292	1.0
117.07005	1.1
117.09117	1.1
119.08614	0.9
121.06478	2.3
128.98549	0.9
129.07002	1.0
130.08640	1.8
131.07039	8.7
133.08609	54.0
134.08931	2.8
144.06564	6.1
147.08041	3.3
149.09592	2.0
175.09692	5.0
175.11029	1.2
177.11217	33.5
178.11609	0.8
221.13861	3.3
233.18961	2.1
239.14928	1.3
259.20563	2.4
265.16467	2.4
279.16080	1.3
283.17612	3.7
286.97519	1.3
297.17108	1.1
299.18509	2.7
333.17242	1.4
385.22189	2.7
473.15182	3.0
475.47873	0.8
491.16342	1.9
497.34625	2.7
515.35809	2.4
532.28802	4.4
556.60132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.07078	11.2
59.05007	0.7
70.67555	1.0
73.06549	1.5
81.07069	0.9
87.04478	6.0
89.06030	100.0
90.53304	0.7
104.10759	2.3
107.07079	1.9
121.06496	2.9
121.57802	0.7
130.08658	1.6
131.07045	2.0
133.08606	78.2
134.09039	1.1
147.08052	2.8
177.11220	33.8
191.10698	1.4
200.54730	0.6
209.11775	0.7
221.13835	7.5
233.18987	4.1
253.14276	4.4
255.15947	1.6
259.20731	0.9
297.16946	4.8
302.40274	0.7
315.18045	1.3
323.18695	1.6
341.19589	3.0
359.20731	1.0
365.26743	3.3
403.23407	1.0
409.29303	1.6
427.30527	1.2
453.32071	1.0
471.32733	1.6
473.15005	1.1
515.35944	2.4
533.25006	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	533.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01796	3.2
55.05495	4.2
55.80230	3.3
56.96574	6.9
57.03432	7.4
63.37125	3.3
67.05486	11.1
69.03421	10.4
69.07084	3.8
69.14695	22.8
69.47270	3.3
73.02912	10.8
79.05468	8.5
81.07066	18.9
84.96037	5.6
85.02904	20.0
91.05470	8.2
93.07030	17.1
95.08604	34.3
97.02882	13.5
98.22704	6.5
98.97575	4.2
105.07011	17.3
107.08594	22.2
109.10166	17.3
115.03926	11.9
119.08572	11.9
121.10136	14.6
123.11692	7.6
127.03939	3.6
131.08548	5.2
133.04909	6.3
133.10121	14.2
135.11679	6.3
145.04845	4.8
145.10159	5.1
147.11722	21.8
149.13255	5.2
153.05429	5.6
161.13269	8.6
175.14793	6.6
203.17953	100.0
221.18993	14.2
223.06126	3.4
241.07538	5.3
257.60614	3.3
279.20377	3.1
283.08578	3.9
313.01959	4.4
436.86264	3.6
467.66342	3.5
532.23657	4.5
533.13928	13.7
533.24420	18.8
533.30835	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	533.177
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44707	1.2
73.20619	1.0
74.02448	1.6
75.28123	1.0
89.02415	0.9
91.05492	1.3
97.65460	1.0
115.05473	2.5
117.06972	1.0
118.06550	22.5
130.06548	1.6
132.08095	5.6
142.06537	2.6
143.07327	3.6
144.08083	13.9
146.06013	69.3
159.09177	5.3
170.05992	5.2
188.07071	100.0
189.07402	2.1
198.04803	1.1
205.09731	40.9
252.02126	1.0
315.35446	1.1
371.41788	1.1
400.26788	1.1
526.59979	1.0
533.12482	5.0
533.21912	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	533.2
Annotation	Kadsuralignan B
Peak:m/z	Relative Intensity
69.41494	0.9
69.41879	1.2
69.67302	0.4
79.05527	0.5
93.07051	0.4
106.25022	0.5
133.56837	0.5
137.02373	1.0
137.05939	0.6
139.03922	0.5
163.88048	0.4
164.26813	0.5
167.07065	1.0
175.07487	0.7
201.05449	0.7
227.08504	0.5
230.83818	0.4
292.20682	0.5
295.04993	0.5
372.73474	0.5
392.82230	0.4
511.70123	0.5
533.19952	100.0
534.20251	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	533.2
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41494	0.9
69.41879	1.2
69.67302	0.4
79.05527	0.5
93.07051	0.4
106.25022	0.5
133.56837	0.5
137.02373	1.0
137.05939	0.6
139.03922	0.5
163.88048	0.4
164.26813	0.5
167.07065	1.0
175.07487	0.7
201.05449	0.7
227.08504	0.5
230.83818	0.4
292.20682	0.5
295.04993	0.5
372.73474	0.5
392.82230	0.4
511.70123	0.5
533.19952	100.0
534.20251	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	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.1
55.01869	1.0
55.05526	0.1
58.67975	0.1
59.78574	0.1
65.03950	1.5
67.05494	0.5
68.99792	0.9
69.03420	0.3
69.07064	0.5
70.59045	0.3
71.04990	0.3
79.05505	0.7
81.07059	0.7
83.04980	0.4
85.06539	0.4
91.05460	0.5
93.03397	0.5
93.07059	0.9
95.04954	0.3
95.08617	0.7
97.02922	0.2
97.06534	0.4
99.04456	0.3
105.07035	0.8
107.04941	0.2
107.08591	1.7
109.06534	0.5
111.00810	1.2
111.04478	1.3
111.08103	0.2
113.06001	0.3
117.03403	0.1
119.08566	0.4
121.02880	1.9
121.06497	0.6
121.10144	0.6
123.04429	2.3
123.08059	0.3
125.06081	0.2
127.03947	0.9
133.06537	0.2
135.04431	0.5
135.11703	0.4
135.30893	0.2
139.03902	100.0
140.04253	1.1
142.00417	0.1
145.02866	0.2
145.10133	0.5
147.11719	0.2
149.05995	0.5
149.09607	0.3
151.03906	6.8
151.07509	0.4
155.63809	0.1
163.03906	7.4
163.11177	1.8
167.10680	0.8
169.08609	6.5
177.05479	0.4
179.07031	1.2
181.12263	1.2
185.11726	0.3
191.10652	1.0
197.05980	0.2
201.05530	0.2
205.04980	3.8
209.11763	0.7
227.12782	7.7
228.13112	0.1
229.05032	0.2
247.06018	0.5
249.14799	0.2
253.04898	0.2
261.03976	0.2
271.05966	0.5
289.07065	15.8
290.01556	0.2
290.07513	0.2
505.12961	0.2
517.16058	0.2
533.25562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2355
Annotation	His Val Tyr Asp
Peak:m/z	Relative Intensity
54.04857	0.7
55.18236	0.7
69.03421	1.5
81.07072	0.9
84.77535	0.7
85.02920	1.6
97.02911	1.1
107.08627	0.8
134.26245	0.8
142.07773	1.0
147.11768	0.8
156.09366	1.4
157.10120	5.3
171.11691	2.1
185.84731	0.7
190.82529	0.8
203.17960	3.0
221.19121	1.0
333.08170	2.3
335.09384	7.1
359.46179	0.8
401.19067	1.6
511.91290	0.8
533.23553	100.0
533.40314	3.0
534.23560	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	533.2596
Annotation	Zizyvoside I
Peak:m/z	Relative Intensity
53.03941	2.0
55.01881	2.2
55.05506	2.7
56.64222	0.9
57.03433	7.6
57.07075	1.8
59.04992	1.4
61.02929	2.5
62.87225	0.9
67.05497	4.6
69.03434	7.5
69.07059	2.5
71.04993	46.6
73.02912	3.3
74.92709	1.1
79.05473	2.9
81.03405	2.0
81.07056	4.6
83.04977	4.1
85.02904	58.1
85.06526	1.2
87.00801	1.0
87.04469	2.1
91.05461	4.5
93.07051	5.6
95.04986	2.1
95.08603	46.3
97.02892	4.3
97.06541	1.1
99.04475	2.8
105.07028	13.4
107.08592	5.5
109.02911	2.6
109.06524	3.1
109.10172	6.3
111.04464	1.5
111.26270	1.0
119.08575	24.4
120.09258	0.9
121.06489	1.2
121.10141	17.6
123.04472	1.6
123.08070	9.7
123.11697	1.1
125.09633	1.2
127.03967	2.4
129.05484	14.0
131.08565	1.9
133.06506	6.6
133.10136	14.4
135.08020	1.3
135.11688	38.3
137.05960	1.8
137.09615	12.6
137.13243	4.3
139.03940	1.0
141.06633	1.9
143.08531	1.8
145.04872	1.9
145.10159	1.9
147.06520	3.3
147.08066	4.8
147.09157	1.5
147.11691	20.4
149.05977	1.0
149.09618	40.4
150.09904	1.0
151.07568	4.4
151.11176	1.2
156.09351	2.1
159.07996	1.2
159.11629	1.3
161.09627	2.2
161.13257	59.5
162.13608	1.1
163.11287	1.5
165.09119	1.1
165.12729	3.2
167.07039	3.2
171.11661	5.0
174.10379	4.4
179.14299	12.3
189.05635	0.9
189.12746	56.0
191.66223	1.2
201.12785	1.3
207.13800	100.0
208.14178	2.5
225.14838	25.7
231.10199	1.1
250.20277	0.9
272.99802	0.9
281.06357	0.9
325.22845	1.1
339.18103	1.3
353.20407	1.8
371.21619	1.6
387.20132	3.4
409.71320	0.9
425.97195	1.2
485.90106	1.1
533.21472	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	533.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.5
57.03432	2.3
57.07082	3.4
66.45470	0.5
67.05506	8.2
69.06708	1.0
69.07069	11.6
69.51773	2.2
71.08620	1.3
79.05498	3.7
81.07065	7.5
83.08616	6.1
89.06031	1.5
91.05479	1.2
93.01178	0.6
93.07065	4.1
95.04974	0.9
95.08602	5.2
97.06559	0.7
97.10157	3.6
105.07025	0.7
107.08586	2.6
109.10144	3.0
109.16344	0.6
111.11732	1.0
115.03693	1.8
119.04932	0.6
119.08559	0.8
120.96616	0.6
121.10136	3.1
123.11716	1.0
125.46310	0.5
133.08643	1.4
135.11665	2.8
139.07567	0.7
145.02901	1.2
149.13258	1.2
165.09181	0.8
167.03419	0.6
169.04887	0.8
176.99243	15.6
177.00710	1.0
177.05550	2.1
195.00305	38.7
213.00119	0.8
269.03943	2.9
339.28970	10.9
379.28223	2.5
441.23871	6.2
459.24658	2.1
474.29266	0.9
498.29138	0.6
515.27582	4.8
516.28375	0.6
533.28503	100.0
534.28650	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2961
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.05507	2.8
57.03428	4.1
61.02919	3.0
65.52994	1.4
67.05527	7.3
69.03429	15.8
69.07066	3.7
69.23828	9.3
73.02909	5.4
79.05495	5.2
81.03407	2.8
81.07062	19.6
81.57513	1.4
83.08602	1.4
83.42978	1.4
85.02912	19.1
87.04472	5.5
87.48639	1.3
91.05494	3.3
93.07046	10.0
95.04939	1.3
95.08598	22.0
97.02895	17.7
105.07018	7.9
107.08595	15.0
109.02900	2.8
109.10150	11.7
115.03917	15.8
119.08585	8.0
119.21048	1.4
121.10142	8.5
123.11691	7.8
125.06129	1.5
127.03907	5.8
133.04970	13.1
133.10141	5.8
135.11745	2.4
145.04945	6.8
147.11703	15.9
149.13217	2.3
161.13313	7.3
163.05957	3.7
163.14848	3.5
165.12755	1.6
167.07036	1.9
175.14847	2.4
203.17958	100.0
221.19000	38.5
224.05484	2.0
239.20044	5.6
259.08218	2.1
270.23642	1.9
336.17999	3.2
365.23022	1.5
371.26013	1.6
383.24127	4.4
533.23639	7.4
533.33838	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3086
Annotation	Wikstroelide E
Peak:m/z	Relative Intensity
52.76771	1.1
56.15128	1.1
62.81973	1.2
64.34462	1.0
67.07809	1.0
68.96925	1.5
69.22729	6.7
71.59808	1.1
116.51514	1.8
119.17469	1.2
125.05974	1.9
137.06046	1.6
139.07538	1.9
143.53590	1.1
151.07553	2.3
153.05431	2.7
167.07066	5.6
168.07364	1.6
177.09106	2.0
219.99666	1.4
456.28574	1.2
457.29245	19.0
459.26724	1.8
462.70306	1.1
467.78558	1.2
488.31134	1.9
489.31885	68.9
490.32361	3.2
506.82590	1.3
518.28870	2.0
533.30756	100.0
534.31262	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	533.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
55.79197	0.2
56.05035	0.2
57.07061	0.3
66.46357	0.2
67.05508	3.4
69.07071	1.8
69.35878	0.5
69.36279	0.9
71.22643	0.2
79.05485	0.3
81.06623	0.3
81.07057	2.6
83.01329	0.3
83.08624	1.2
84.04504	7.9
84.05009	0.4
85.02901	0.2
91.05476	0.3
95.08028	0.3
95.08606	4.4
97.10153	0.9
98.22675	0.2
99.45212	0.2
101.07132	0.6
105.07014	0.8
108.05735	0.3
109.06515	0.2
109.10126	0.9
119.63476	0.2
123.08064	6.2
123.11696	0.4
130.05005	10.9
131.08565	0.4
135.08081	0.3
137.05977	3.3
139.07524	0.6
147.07639	14.6
149.09567	0.3
151.07538	100.0
152.07880	1.3
159.08080	0.6
163.07521	1.8
163.11176	0.4
165.09081	1.5
173.09665	0.3
176.08351	0.5
177.09109	9.6
191.10664	9.3
191.12407	0.5
205.12241	2.5
207.13780	0.8
219.13811	3.1
221.15350	3.8
233.15404	0.5
247.16963	1.0
261.18457	0.5
275.19879	0.2
317.24738	13.7
318.89600	0.2
335.55753	0.2
387.32556	33.6
388.33157	0.9
493.25613	0.4
507.97827	0.2
533.28802	2.5
534.29321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95869	0.6
54.71471	0.6
66.43677	0.5
71.15176	0.9
75.16051	0.5
104.55241	0.6
130.06334	0.6
153.05264	0.8
178.37982	0.6
192.28996	0.6
213.28239	0.6
241.75755	0.6
242.09961	1.4
261.98422	0.7
274.09399	0.6
315.10492	100.0
316.10699	1.4
328.89859	0.6
489.29047	0.6
535.14923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67135	2.8
50.99894	2.6
52.13572	3.3
53.03937	10.5
55.01860	9.2
55.05503	11.3
56.98273	3.6
57.03434	7.6
61.02929	3.6
67.05508	20.0
68.99797	5.0
69.03428	29.9
69.07045	6.0
69.37421	10.5
69.37829	6.4
70.06609	3.4
71.04984	9.7
73.02913	6.1
79.05484	17.0
81.03414	40.2
81.07052	49.0
82.07340	4.2
83.04990	9.7
85.02908	63.2
87.00823	39.6
91.05472	29.5
93.07037	72.3
95.05002	16.9
95.08598	41.9
97.02901	37.2
97.06529	4.5
98.64656	2.9
99.04472	23.8
105.01858	25.4
105.07023	59.5
107.08590	35.4
109.02873	36.1
109.06509	10.1
109.10147	18.7
111.04408	3.4
111.08065	6.2
117.01846	5.8
117.07011	6.7
119.08577	53.9
121.06489	6.9
121.10149	26.8
123.08040	8.9
123.11696	10.3
125.05959	6.5
127.03909	60.0
129.01860	3.9
129.07031	3.5
131.08553	27.4
133.10139	64.8
135.08032	6.7
135.11661	4.6
137.05920	5.9
137.09615	8.5
139.03864	18.8
139.07541	5.3
140.04208	5.5
143.08499	7.4
145.04950	23.8
145.10118	39.2
147.02965	3.5
147.08040	10.6
147.11671	21.3
149.09570	6.3
151.03860	6.2
151.07500	5.2
151.11156	7.9
157.10086	5.2
159.02870	15.2
159.08078	4.2
159.11688	32.0
161.13258	9.4
163.07440	4.6
163.11237	6.8
167.14317	3.5
169.10118	5.8
171.11578	5.0
173.09625	12.7
173.13249	14.6
175.11116	3.6
177.09074	9.4
177.12682	6.9
187.11160	6.4
187.14809	43.7
189.16351	6.5
191.10565	4.2
197.13200	5.5
205.15837	11.5
215.10753	4.1
215.14236	38.7
231.04973	14.6
233.11786	5.7
233.15364	100.0
234.15590	3.7
251.16472	40.0
311.49899	3.2
323.86548	3.2
325.71539	3.2
347.13745	8.7
475.18054	5.7
481.20502	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	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01877	3.9
57.03423	2.7
57.85824	1.5
58.79464	1.6
61.02924	3.4
67.05500	5.3
69.03419	10.3
69.07082	9.3
69.29306	4.8
69.29722	4.2
71.05011	2.0
73.02912	3.5
79.05498	3.3
81.03411	8.0
81.07059	11.4
81.20881	1.5
83.52670	1.8
85.02907	28.5
87.00829	2.9
91.05482	2.0
93.07053	5.5
95.04981	3.8
95.08604	12.8
97.02917	10.3
97.10203	1.6
105.01862	3.8
105.07022	5.2
107.05006	2.6
107.08585	6.2
109.02890	6.2
109.06498	4.6
109.10175	5.0
115.03939	1.7
119.08599	4.6
121.10147	3.7
123.08085	4.6
125.05997	3.2
125.09641	2.7
127.03928	13.3
133.10141	4.7
135.08058	2.5
135.11723	2.1
137.05981	55.7
139.03975	2.1
141.09082	2.2
145.04968	12.8
145.10158	4.7
147.08035	2.3
147.11707	4.9
151.07565	14.2
159.02945	2.7
159.11705	2.6
173.09642	2.0
173.13289	1.9
178.04994	4.8
187.14850	6.9
192.98210	1.9
193.12242	100.0
203.17993	4.1
204.18349	6.3
205.15906	4.8
215.14293	4.1
217.12314	4.5
231.05028	2.7
233.15335	14.1
235.13277	5.3
251.16473	20.0
299.56552	1.6
319.15604	2.1
436.10379	1.7
534.24268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01859	0.5
56.63728	0.4
57.03434	2.2
61.02917	3.6
63.31937	0.4
67.05501	0.5
68.81036	0.4
68.99783	0.5
69.03429	6.4
69.07063	15.2
71.04979	1.0
73.02913	1.2
79.05478	1.2
81.03413	2.9
81.07027	1.0
83.01337	0.6
85.02901	32.2
86.58177	0.4
87.04457	1.0
91.03942	1.8
91.05464	0.9
93.07045	0.5
94.04189	0.4
95.04964	0.9
95.08585	0.9
97.02891	9.0
99.04450	1.9
105.07029	1.3
105.53790	0.4
106.74042	0.4
107.04955	2.5
107.08615	0.8
109.02885	2.6
109.06501	2.0
115.03857	0.6
119.08586	0.7
121.10070	0.5
125.05994	6.7
127.03915	8.3
133.06483	0.8
133.10117	0.5
137.05969	52.1
138.06354	0.7
139.03886	0.6
145.04955	14.6
145.10088	0.5
147.07941	0.5
151.07521	1.2
161.05963	1.7
161.09583	0.8
163.06029	4.5
163.07375	0.8
165.59656	0.4
165.87404	0.4
175.07545	1.3
179.06972	1.3
193.12230	100.0
194.12540	1.6
205.12259	1.3
217.12209	6.4
220.38557	0.5
229.12241	1.2
231.13757	1.0
235.13255	2.9
241.12259	0.7
259.13272	4.0
283.13351	0.8
293.17508	0.6
301.14444	1.0
319.15482	3.2
323.17987	1.0
337.16342	0.5
535.16156	0.5
535.24615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04435	0.3
57.03431	0.8
57.07067	0.6
60.04539	0.3
67.05492	1.0
69.03417	1.3
69.07064	0.5
69.25256	1.6
69.25541	0.4
73.02915	0.9
74.55301	0.3
77.31643	0.3
79.05481	0.6
81.07054	0.6
85.02914	1.8
85.06533	0.8
87.00816	0.3
87.04460	0.7
91.05466	0.7
93.07024	0.6
95.08614	0.6
97.02876	1.2
100.53696	0.3
103.05472	0.4
105.07008	1.3
109.06496	0.6
109.10160	0.4
113.09683	0.3
115.03917	1.2
117.07029	0.6
119.08555	0.6
121.06492	2.0
127.03881	0.6
128.06279	0.3
130.07832	0.4
131.04884	0.3
131.08582	0.7
132.90115	0.3
133.04962	0.5
134.03670	0.5
135.08043	1.3
137.05956	1.8
139.03893	0.6
143.08542	0.4
145.06528	0.4
145.10139	0.9
146.07259	0.5
147.08037	0.9
149.05962	0.9
150.07590	0.6
151.04041	0.3
151.07556	2.7
158.07268	1.9
159.08041	3.5
161.05969	3.6
162.06699	0.3
163.04019	0.4
163.07518	1.3
165.09119	0.4
173.09625	2.6
174.10403	7.0
175.07552	5.2
175.11070	0.8
176.08315	6.7
177.09122	3.2
187.14856	0.5
188.08279	0.5
189.09062	1.3
190.09877	7.9
191.10500	0.6
203.10672	0.7
205.12227	100.0
206.12617	1.4
209.11714	1.2
217.12199	1.1
219.13899	0.3
223.13277	1.1
229.12190	0.5
233.15338	0.8
235.13293	0.4
247.13249	0.5
251.16393	1.2
251.39467	0.4
301.14401	0.4
382.01773	0.3
388.22244	0.6
535.25391	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	534.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56404	3.6
54.87780	3.2
55.01893	3.4
55.05516	11.3
67.05505	15.0
69.03424	11.3
69.07074	10.5
71.04991	19.7
71.43945	4.1
79.05496	10.6
81.03411	6.6
81.07066	17.2
83.04975	4.2
83.08627	7.5
85.02908	16.7
85.06565	5.1
87.00841	7.1
91.05488	15.5
92.79504	3.3
93.07040	19.5
95.04975	6.2
95.08646	17.6
97.02898	11.1
99.08124	5.3
100.11246	6.5
100.39767	3.1
105.01878	6.3
105.07031	40.0
107.04968	4.1
107.08603	30.9
108.09067	3.3
109.02904	5.0
109.10144	36.4
113.06056	3.6
117.07026	4.9
119.08571	37.7
121.10150	15.2
123.04440	76.9
123.08062	4.4
123.11757	5.2
124.90394	2.9
125.09634	17.9
125.23844	3.2
127.03930	7.7
127.11196	46.5
131.08530	17.4
133.10110	17.9
135.11673	22.1
137.09636	12.9
138.48518	3.9
139.03912	42.1
143.10703	36.0
145.04988	7.8
145.10144	23.5
147.11691	100.0
149.09657	3.8
149.13243	4.2
151.03918	6.5
156.24179	3.5
159.11728	18.1
161.09709	3.1
161.13344	5.8
173.13240	27.9
174.46054	3.2
175.14896	5.1
177.12737	4.0
182.15387	3.8
187.14879	3.9
204.18274	4.6
209.16455	3.6
215.17929	40.9
223.01205	4.0
223.13368	4.9
233.15372	11.4
233.18993	77.4
251.16422	24.8
251.20064	14.6
273.07593	19.8
393.58859	3.6
512.77411	3.4
534.25977	13.0
534.33569	5.0
535.17725	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	534.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88972	0.4
55.05506	1.6
57.03446	2.8
57.07077	0.5
62.63501	0.4
64.12106	0.4
65.03940	0.6
67.05516	2.0
69.03426	1.2
69.07078	2.1
69.27893	2.0
71.04993	17.8
75.04467	1.0
78.04242	0.4
79.05502	3.2
80.94292	0.4
81.03400	0.5
81.07058	2.2
82.99352	0.4
83.04993	1.2
85.02905	20.0
85.06571	0.7
87.04447	1.0
91.05475	8.3
93.07053	4.0
95.04945	1.0
95.08603	2.2
97.02893	0.7
97.06532	0.5
99.04475	0.6
103.05455	0.7
105.07027	12.0
107.08595	9.9
109.06502	1.3
109.10122	0.9
111.04425	0.8
115.05440	1.3
116.06248	1.2
117.06999	4.7
119.08582	13.6
121.06483	0.7
121.10140	11.6
123.08085	0.8
123.11689	0.8
127.03891	0.7
128.06177	1.1
129.05498	6.7
129.06979	4.8
130.07741	2.0
131.08571	19.3
133.10129	5.4
135.08064	3.7
135.11673	0.5
137.05949	0.7
137.09674	0.5
139.03915	0.8
143.08556	9.1
144.09334	3.6
145.10121	15.3
146.08133	0.5
147.06526	3.8
147.11671	6.4
149.09647	1.0
149.13268	6.8
157.10152	1.1
158.10916	10.1
164.09195	3.5
171.11623	0.6
173.13258	31.3
175.14821	9.4
187.14856	0.9
189.12753	0.5
191.14305	100.0
192.14659	1.5
193.15770	0.6
205.15862	0.8
209.15408	1.3
215.14253	1.0
217.15840	0.8
219.10211	1.3
222.52805	0.5
233.15305	1.2
241.07494	0.8
241.15863	0.9
245.15237	0.5
251.16455	0.6
301.17935	1.0
310.97296	0.5
319.19263	0.5
337.19952	1.2
534.14771	0.8
534.20776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70982	2.4
55.05508	3.4
67.05507	6.7
69.07089	2.2
79.05523	5.1
81.07072	7.8
91.05473	3.4
95.04990	7.2
95.08592	3.3
105.07031	2.4
111.04457	2.5
111.08038	2.3
113.24563	1.9
114.94455	2.5
119.08591	2.6
121.06509	3.0
121.10120	2.7
123.04437	32.7
124.26272	2.2
125.05977	4.9
133.06516	2.3
135.08057	2.8
137.05974	32.9
138.03105	2.4
138.06308	4.0
139.01939	2.1
139.03896	8.6
139.07561	5.5
139.11285	2.2
140.04678	5.4
141.05504	6.4
151.07533	7.3
152.04651	2.5
153.05484	21.0
155.03397	3.3
155.07040	8.5
161.05960	2.9
163.07629	5.2
165.09058	2.9
167.03371	11.0
167.07068	8.3
168.04169	100.0
169.04988	8.6
177.05429	2.9
177.09183	2.8
177.93575	2.1
179.07054	6.3
181.08571	4.4
182.05753	19.9
183.06525	67.2
184.07344	4.0
193.08630	8.6
197.08099	9.2
204.46313	2.2
207.10300	2.9
245.32787	2.0
245.80966	2.0
312.38162	2.3
332.26480	2.9
401.33942	3.2
439.24799	4.0
445.35037	2.2
453.22754	3.2
457.25772	5.1
463.79361	2.2
467.24423	3.5
471.26910	2.7
485.25397	16.5
489.28296	10.0
517.27954	64.3
517.34570	5.6
534.29651	16.7
535.32141	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	534.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82286	8.5
55.05507	20.1
64.57676	7.5
67.05511	18.8
69.07069	15.8
70.67522	7.9
70.69669	12.0
79.05506	12.7
81.07053	21.3
83.08578	12.8
86.80031	8.6
95.08590	15.0
105.07026	13.0
121.06558	8.5
123.04424	26.9
125.05970	15.3
135.08067	19.1
136.27815	8.9
137.02385	18.8
137.05984	68.2
139.07593	11.9
151.07559	67.7
152.04666	14.2
153.05431	29.9
154.06116	11.5
163.07500	11.6
165.09113	71.9
166.06235	12.3
167.03389	11.8
167.07034	37.5
168.04176	100.0
168.07779	12.6
169.04948	33.4
177.09109	68.0
178.09428	12.0
181.08588	36.0
183.06523	38.9
184.07378	48.6
191.10687	30.6
192.10896	8.7
193.08693	9.6
198.08960	11.5
199.09602	13.5
205.12215	10.0
219.17354	11.6
243.32870	9.0
246.45157	8.8
401.34052	9.1
410.30322	8.5
453.26117	11.6
467.28027	19.1
471.30081	26.2
485.28677	24.8
499.30298	51.4
517.32129	47.6
534.14313	11.5
534.29059	35.7
534.45697	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05514	21.4
57.03439	6.3
57.07074	12.0
61.02924	7.7
65.03941	2.3
67.05505	85.4
69.03439	2.6
69.07068	25.9
69.39088	5.6
71.04985	2.3
71.08633	5.4
75.04469	1.2
79.05494	20.5
81.07059	100.0
83.04968	1.8
83.08622	22.5
85.02895	6.0
85.06544	4.2
85.10188	3.0
85.74223	1.1
91.03978	1.5
91.05485	17.8
93.07043	26.8
95.04979	2.2
95.08607	82.0
97.02873	2.5
97.06519	7.0
97.10172	13.9
99.08093	3.6
104.10758	4.4
105.07034	10.7
107.08594	17.5
109.10157	42.1
109.13801	1.5
111.08086	4.1
111.11738	4.6
113.09653	2.1
115.97406	1.3
119.08564	12.1
121.10139	21.1
123.11713	22.4
125.09649	2.4
125.13241	2.6
133.10132	16.4
135.11691	13.6
137.09650	1.4
137.13223	8.6
139.11176	2.1
141.12749	3.0
147.11694	13.3
149.13261	11.9
151.11134	1.8
151.14844	6.6
155.14311	5.1
161.13272	15.9
163.14790	10.3
165.16368	11.5
167.14395	1.4
175.14798	9.6
177.16417	2.8
179.14316	1.6
179.17955	6.7
182.94424	1.4
189.16380	4.5
191.39098	1.2
193.15811	1.2
217.19495	1.9
219.21432	1.3
245.22652	60.8
246.23009	1.8
263.23709	83.2
264.23984	2.2
337.27356	60.6
338.27805	1.7
355.28665	6.3
448.74911	1.4
499.32614	2.5
507.20352	1.3
534.29510	1.6
544.53351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.4
57.03433	5.7
57.07069	8.4
61.02928	4.5
67.05502	68.3
69.07069	21.6
69.23460	7.0
69.23866	5.6
71.08628	6.4
79.05499	18.6
81.07057	85.0
83.04986	2.4
83.08624	18.8
83.91322	2.7
84.04505	7.3
85.02901	3.5
85.06544	3.9
85.10167	3.4
91.05495	11.2
93.07054	26.7
95.08608	73.8
97.02856	2.0
97.06520	5.0
97.10169	14.7
105.07018	10.2
107.08605	14.0
109.10152	35.6
111.08051	3.5
111.11747	3.4
113.09657	2.6
113.58926	1.9
119.08586	11.6
121.10129	21.9
123.08076	8.2
123.11705	23.8
125.09595	2.1
125.13297	2.2
130.05014	14.4
133.10124	13.7
135.11685	9.0
137.06013	2.9
137.13264	6.6
141.12727	4.3
147.07654	18.1
147.11711	8.8
149.13205	11.0
151.07539	100.0
151.14825	6.6
152.07883	32.2
155.14334	3.3
161.13255	15.2
163.14809	10.9
165.16414	7.4
175.14793	11.5
177.09109	8.7
179.17943	7.4
189.16380	5.5
191.10654	7.5
192.11052	4.2
193.15883	3.4
221.15440	2.4
245.22650	59.4
246.23053	2.3
263.23718	83.2
281.24576	2.8
283.10648	2.2
317.24649	4.5
318.25043	14.4
337.27338	47.9
387.32596	11.1
388.32913	32.1
469.15906	2.4
493.25671	35.4
494.26215	3.5
517.28510	3.1
530.59052	2.3
534.28143	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	534.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19924	4.7
69.24744	7.8
69.25149	22.2
88.32418	4.3
88.52192	5.0
109.62527	4.3
123.04437	5.6
125.68205	5.2
137.05986	15.7
138.06760	9.2
139.03923	10.8
139.07512	5.0
140.04683	12.5
151.07494	25.4
152.04668	55.5
153.05443	16.6
154.06242	57.0
155.07028	5.2
166.06262	25.2
167.07057	35.2
168.07808	9.9
169.08620	23.5
179.07141	4.6
181.08623	23.0
253.84897	4.9
291.87723	5.1
419.64157	6.1
453.29544	6.3
485.32632	21.3
517.35217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94195	3.3
55.01871	9.2
57.03443	7.1
57.07076	31.6
69.03445	9.9
69.30464	20.1
79.05499	6.4
81.03418	11.2
81.07060	7.2
83.04986	7.4
83.52677	3.5
85.02908	32.4
85.06548	19.6
93.07014	4.1
95.08652	3.6
97.02887	11.1
98.23444	6.5
103.03965	8.2
103.23299	3.7
103.31594	3.6
105.07004	5.8
107.04996	4.4
109.02887	11.9
109.06497	4.0
121.02881	7.2
123.04417	5.4
127.03919	5.6
129.07065	6.3
135.04456	5.8
139.03894	5.5
145.06598	3.6
145.10114	5.1
145.99846	3.5
147.04439	8.7
149.02373	4.4
151.03871	8.8
151.07582	4.2
157.10291	3.9
159.02998	4.5
163.03905	6.6
171.04424	6.6
173.05878	7.8
173.09621	4.4
175.03918	13.8
175.07552	8.5
179.03436	4.5
183.08037	6.1
185.06013	7.7
187.04004	5.2
189.05510	11.0
195.08046	5.7
197.05974	4.6
199.03903	10.4
199.07486	6.2
201.05618	6.2
201.09137	7.4
203.07118	8.3
205.04965	9.9
211.07439	4.4
213.05463	7.3
213.09125	9.8
214.06117	3.9
215.07027	7.1
215.10641	5.6
217.04922	10.8
217.08601	12.9
223.09579	5.8
225.05508	4.1
227.07106	5.0
227.10663	7.2
229.05128	6.4
229.08618	15.4
231.06618	5.5
235.06084	5.9
235.09641	25.7
239.07076	3.9
241.04994	8.5
241.08549	9.8
243.10231	15.2
245.08101	4.6
247.09680	26.9
255.06548	5.8
255.10257	12.0
259.06052	5.9
259.09698	25.9
261.07516	9.1
263.09186	15.7
265.10626	25.8
267.06448	6.6
267.10104	5.7
269.17520	5.0
271.09711	13.4
273.11304	7.6
275.09045	4.6
277.10703	28.2
283.09610	18.9
285.11185	6.9
287.12903	4.4
289.07602	6.8
289.10678	55.3
295.09555	9.9
297.11221	4.8
301.07513	6.4
301.10733	50.5
311.08969	5.2
313.10699	25.6
315.12329	6.9
319.11804	38.9
325.10718	16.5
327.12305	6.6
329.10422	5.6
331.11713	61.7
337.10718	11.4
343.11795	61.5
349.13223	22.9
355.11609	39.0
361.12903	26.2
367.14313	68.2
373.12878	6.3
379.14084	18.2
385.12762	39.8
397.14120	21.5
403.13864	28.8
409.12781	8.4
415.13870	26.5
421.14941	23.5
427.13947	14.5
433.14932	37.9
437.64731	4.0
445.15076	27.9
463.15967	27.1
481.17111	31.1
499.18231	7.1
535.21484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
54.53587	0.4
55.01858	0.6
55.05513	0.8
56.96571	0.6
67.05506	0.5
69.03436	2.2
69.07078	0.7
69.32361	2.0
71.04999	1.3
79.05486	0.6
80.02708	0.5
81.03417	1.8
81.07073	1.2
83.04955	0.6
84.90978	0.5
85.02912	2.8
86.09711	0.7
87.00816	0.8
91.05448	0.9
93.07044	1.3
95.04988	0.6
95.08656	0.8
97.02905	0.5
98.97617	0.5
99.04474	0.5
105.01855	0.8
105.07034	0.8
107.08621	1.6
109.02879	1.7
119.08608	0.9
121.10224	0.5
127.03923	1.4
135.04385	0.7
135.11682	1.0
137.05997	0.6
145.02885	1.7
145.10152	0.9
147.11667	0.9
159.02812	0.6
163.11159	0.7
167.05627	0.6
177.05539	2.8
207.06509	0.7
244.17049	1.7
267.09076	2.2
269.13940	0.4
269.17401	0.6
285.10123	2.2
287.05502	14.1
287.12570	0.6
293.05530	0.4
299.06155	1.2
299.40283	0.4
309.10129	0.8
431.18979	2.1
485.17099	1.9
535.21570	100.0
536.21417	2.3
536.29218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2157
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
50.81705	0.4
54.34285	0.4
61.28514	0.4
61.72572	0.4
63.15146	0.5
67.05484	0.6
69.03451	0.5
69.07070	0.5
69.53304	1.5
72.98831	0.5
79.05451	0.5
81.07068	0.6
85.02921	1.1
86.03204	0.4
87.20569	0.5
93.07008	0.6
95.08615	0.6
95.72629	0.5
109.10204	0.5
119.08576	0.8
121.06472	0.6
121.10152	0.7
127.03889	0.6
135.82227	0.5
233.15395	0.7
241.08762	0.6
251.16508	0.9
267.09158	0.8
269.17410	0.6
285.10080	1.3
343.11655	0.7
367.13849	0.7
485.16687	1.0
535.21509	100.0
536.22009	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	535.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48930	0.2
51.00213	0.2
57.58506	0.1
61.37302	0.2
66.69929	0.2
67.05432	0.3
69.03339	0.5
69.06998	0.4
71.04902	0.4
78.03812	0.2
79.05424	0.2
79.93703	0.2
81.03326	0.2
81.06979	0.3
83.04875	0.3
85.02785	1.0
87.00747	0.4
91.05424	0.9
93.06927	0.7
95.08491	0.6
95.09032	0.2
96.08855	0.2
97.02787	0.4
98.23466	0.3
99.04372	0.2
105.01737	0.3
105.06887	0.5
107.08463	0.5
109.02782	0.2
109.10101	0.2
119.08481	0.5
120.08748	0.2
121.10033	0.3
127.03790	0.5
127.68447	0.2
129.05353	0.3
132.91969	0.2
133.10005	0.5
134.10413	0.3
137.05882	0.4
139.03731	0.3
145.04868	0.3
145.10023	0.4
147.11545	0.4
149.04269	0.2
151.07420	0.2
159.11504	0.2
167.05496	0.3
185.04060	0.6
185.90253	0.2
189.07443	0.3
203.05099	0.8
216.14513	0.2
233.15308	0.4
234.15533	0.5
251.12457	0.3
252.16650	0.3
259.07822	0.8
269.11353	0.2
269.13617	2.2
299.06070	0.4
303.04935	0.3
355.17062	0.2
431.18857	100.0
432.19180	2.6
489.23041	0.9
517.22620	2.3
520.35547	0.2
535.23657	19.3
536.23993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
57.03466	0.2
57.95481	0.2
61.40418	0.2
63.76714	0.2
67.05489	0.6
68.98888	0.2
69.07081	0.3
72.17776	0.2
73.98379	0.2
79.05505	0.4
80.43933	0.2
81.03414	0.4
81.07053	0.8
85.02884	0.3
89.35815	0.2
91.05458	0.3
93.07051	0.8
93.73626	0.2
95.04977	0.3
95.08610	0.4
97.02900	0.4
99.04428	0.3
101.44633	0.2
105.07043	0.8
107.08593	0.3
109.06540	0.3
109.10156	0.2
117.06986	0.2
119.08578	0.5
121.10162	0.3
123.11688	0.2
125.05999	0.5
131.08545	0.3
137.02374	0.4
137.06020	0.3
139.03842	0.2
143.07088	0.3
145.10126	0.4
151.13045	0.2
152.03882	0.2
159.11769	0.3
163.11195	0.5
167.05609	0.3
167.07048	0.4
173.09584	0.5
185.04315	0.3
187.11255	0.4
191.10660	0.5
203.05251	0.9
205.12256	0.4
209.11699	0.3
215.10739	0.4
233.11798	0.4
251.12831	0.4
259.07809	1.0
269.13773	1.4
269.17404	0.4
287.05423	0.3
325.16483	0.4
343.17532	0.8
365.01550	0.4
431.18854	100.0
432.19263	2.8
475.22095	1.1
517.22772	0.6
535.23645	7.0
536.24396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48930	0.2
51.00213	0.2
57.58506	0.1
61.37302	0.2
66.69929	0.2
67.05432	0.3
69.03339	0.5
69.06998	0.4
71.04902	0.4
78.03812	0.2
79.05424	0.2
79.93703	0.2
81.03326	0.2
81.06979	0.3
83.04875	0.3
85.02785	1.0
87.00747	0.4
91.05424	0.9
93.06927	0.7
95.08491	0.6
95.09032	0.2
96.08855	0.2
97.02787	0.4
98.23466	0.3
99.04372	0.2
105.01737	0.3
105.06887	0.5
107.08463	0.5
109.02782	0.2
109.10101	0.2
119.08481	0.5
120.08748	0.2
121.10033	0.3
127.03790	0.5
127.68447	0.2
129.05353	0.3
132.91969	0.2
133.10005	0.5
134.10413	0.3
137.05882	0.4
139.03731	0.3
145.04868	0.3
145.10023	0.4
147.11545	0.4
149.04269	0.2
151.07420	0.2
159.11504	0.2
167.05496	0.3
185.04060	0.6
185.90253	0.2
189.07443	0.3
203.05099	0.8
216.14513	0.2
233.15308	0.4
234.15533	0.5
251.12457	0.3
252.16650	0.3
259.07822	0.8
269.11353	0.2
269.13617	2.2
299.06070	0.4
303.04935	0.3
355.17062	0.2
431.18857	100.0
432.19180	2.6
489.23041	0.9
517.22620	2.3
520.35547	0.2
535.23657	19.3
536.23993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
57.03421	0.9
57.07060	4.1
58.38995	0.9
67.05500	8.1
69.07077	2.3
69.86994	1.0
71.08620	1.2
79.05486	2.2
81.07058	5.6
83.08643	1.2
89.06032	6.7
91.05479	3.2
93.07040	3.0
95.04945	1.2
95.08591	4.4
97.10117	1.1
101.74975	0.9
104.10732	1.3
107.08600	3.3
108.71055	0.9
109.10152	4.0
117.20095	1.0
119.08575	1.2
121.06490	3.1
121.10096	2.7
122.06827	1.2
123.11664	1.1
129.05510	1.0
133.08571	3.2
133.10043	0.9
134.08836	0.9
135.11688	1.3
138.02878	1.6
139.03630	1.7
139.28238	0.9
150.10100	0.9
151.07434	1.3
153.05266	2.2
160.82773	1.0
165.09157	1.5
169.85994	1.0
184.07007	1.0
195.09929	7.7
198.04999	1.1
209.11591	2.4
211.05768	1.6
223.13040	1.5
229.14201	1.0
235.12984	3.9
251.12567	6.5
263.16205	1.5
263.23697	1.5
264.37747	1.1
264.40646	1.0
291.15604	4.9
296.96616	1.0
299.06049	3.0
311.25656	0.9
322.17422	3.1
323.14655	6.5
337.16016	1.4
379.20810	2.9
391.24518	2.1
405.26239	6.0
414.93097	1.0
421.49109	1.0
434.26279	11.6
461.28409	1.4
463.26651	100.0
464.26761	2.5
489.28174	7.7
535.28668	33.3
536.28674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3037
Annotation	19-Demethylreblastatin
Peak:m/z	Relative Intensity
51.49840	0.4
53.60889	0.4
57.07076	0.6
67.05519	0.3
69.23539	2.2
73.04757	0.4
76.28025	0.3
77.70603	0.3
79.73586	0.3
83.34872	0.3
88.07616	0.7
92.55788	0.4
93.07055	0.5
98.23093	1.8
137.05965	0.8
151.07611	0.6
154.06268	0.9
167.05637	0.7
169.08688	0.6
185.39909	0.4
203.14323	0.5
219.17403	2.3
220.17783	1.4
256.26477	1.6
257.26794	0.6
299.06216	1.7
357.88858	0.4
405.49667	0.4
406.72690	0.4
507.30896	0.7
518.33844	0.4
534.45111	1.8
535.30322	100.0
535.45441	2.5
536.30707	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	535.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.3
57.03443	0.5
67.05502	2.9
69.07072	0.8
71.04999	1.4
77.65855	0.4
79.05497	0.9
81.07058	3.9
83.08689	0.4
85.06606	0.4
89.06014	0.6
91.05494	1.2
91.19769	0.4
93.07029	2.8
95.08635	1.0
97.06538	0.8
98.22699	0.9
104.92963	0.3
105.07040	0.9
107.08632	0.9
109.10204	0.5
111.08058	0.5
119.08588	0.4
121.06534	0.5
121.10156	0.8
126.03389	0.4
133.10162	1.1
149.13298	1.0
159.11784	0.7
195.09981	0.7
232.62782	0.4
235.13010	3.9
251.12659	0.8
267.15707	5.3
269.17587	0.6
291.15604	3.5
299.06274	1.0
323.14609	0.9
323.18417	3.7
368.65417	0.4
405.26395	0.6
434.26361	0.8
463.26685	7.0
485.02802	0.4
489.28226	0.9
497.28845	1.5
517.26447	0.4
535.32483	100.0
536.32953	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	535.3783
Annotation	Octaethylporphine
Peak:m/z	Relative Intensity
50.90434	3.8
55.05513	26.1
57.07072	6.7
61.74367	4.1
62.87368	3.5
63.19503	4.8
66.10400	4.2
67.05507	22.2
69.07066	34.8
74.12153	3.6
79.05499	18.0
79.28931	3.5
81.07049	28.1
83.08609	10.6
91.05486	19.2
93.07050	47.2
95.04967	5.8
95.08630	17.8
96.13407	4.1
99.62727	4.1
105.07035	13.6
107.08601	46.0
109.10165	16.4
117.07072	5.1
119.08613	5.8
121.06512	4.5
121.10180	12.8
123.04419	4.2
129.07021	4.2
131.08600	7.4
133.10123	7.1
135.04449	12.0
135.11693	100.0
155.08559	6.0
161.05965	5.8
167.06958	4.8
173.06027	7.0
175.07574	7.0
189.05507	5.5
189.09138	6.2
191.06979	38.3
203.07079	24.6
211.07451	5.7
213.09059	6.4
215.06924	4.4
217.08630	16.1
219.06511	51.3
225.09149	4.0
228.20117	5.0
229.08629	7.6
231.06580	8.4
233.08099	6.1
239.10622	6.1
243.10222	12.6
245.07951	5.8
347.22070	4.2
355.19000	6.6
369.24176	9.8
371.26291	5.3
381.24188	7.0
383.25824	7.6
383.40030	3.6
399.25217	8.0
449.30588	5.0
452.12906	3.8
467.61179	3.8
503.35080	10.5
517.36670	37.1
535.37695	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
54.05081	0.8
55.01872	6.6
55.05505	1.3
57.03432	6.4
58.99574	1.2
61.02932	5.3
67.05540	1.8
68.99800	2.0
69.03429	37.0
70.02165	0.8
71.05000	6.3
73.02911	6.3
73.04757	2.3
76.02224	1.7
76.18874	0.9
79.05490	2.5
81.03417	25.3
81.07043	4.7
81.38322	0.9
83.01321	1.3
83.04990	0.9
83.08595	0.9
85.02907	100.0
86.00663	1.2
87.00830	47.0
87.04473	2.1
88.02242	0.9
88.03999	1.0
91.03957	2.0
91.05466	24.5
93.07053	4.0
95.04994	1.9
95.08609	2.5
97.02892	52.4
99.04459	13.5
101.02385	1.6
101.81937	0.9
103.66515	0.9
105.01869	79.4
105.07027	8.5
107.02472	0.9
107.08590	2.6
109.02875	34.0
115.03929	1.8
117.01874	2.6
117.07012	2.0
119.08593	4.1
120.21641	0.8
121.10147	1.3
122.02731	7.1
127.03915	87.3
128.06206	2.6
129.01891	2.2
129.07056	1.4
131.08574	4.9
133.10139	2.8
143.08563	7.7
145.04961	39.7
145.10124	5.8
147.02927	2.2
147.11685	2.0
157.10129	7.5
159.02885	13.0
159.11679	5.0
160.04271	1.1
161.09601	1.2
161.20131	1.0
163.06052	1.2
167.05606	2.7
169.82437	0.9
171.11717	2.5
177.03964	1.6
187.14908	2.2
189.03990	3.2
189.16486	1.3
195.06538	1.4
199.14848	12.0
201.16556	0.9
213.03908	10.3
215.05666	0.9
217.15823	6.6
225.04449	1.3
231.04996	35.1
235.17020	1.4
249.06046	18.5
253.07097	3.3
266.99951	1.8
271.08228	1.5
299.06229	6.2
320.16687	1.2
338.17767	9.4
339.16531	1.3
344.97958	1.0
356.18811	14.0
357.08121	1.7
375.09152	1.2
393.10425	1.8
500.23282	4.3
518.24127	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	536.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
55.01873	6.7
57.03439	4.8
57.72617	0.9
61.02924	5.3
68.99800	2.2
69.03430	35.2
71.04991	4.3
73.02924	7.3
73.04764	2.4
80.71043	1.0
81.03423	22.4
81.07070	1.3
85.02906	100.0
87.00832	46.7
87.04440	1.6
91.03963	1.5
91.05460	20.3
93.07046	1.1
97.02894	46.0
99.04456	14.8
103.03960	1.6
105.01869	85.5
105.07053	2.1
109.02885	36.8
109.97916	1.0
115.03958	1.6
117.01881	2.4
122.34898	1.0
127.03918	97.7
129.01866	3.4
137.02467	1.1
145.04965	41.2
147.02835	1.8
149.04526	1.4
157.10217	1.8
157.89638	1.0
159.02878	14.0
159.11667	1.6
167.05573	4.2
171.02994	1.2
173.21947	1.0
177.05487	1.2
189.03973	3.7
193.04852	1.2
199.14796	1.8
213.03926	12.1
225.04314	1.3
231.05013	40.1
249.06044	22.8
250.53067	1.4
253.07080	5.4
266.99750	1.2
271.08157	3.9
281.04880	1.0
283.02884	1.2
296.19131	0.9
299.06168	8.5
338.17838	1.5
344.97571	1.4
356.18976	2.5
357.08078	1.5
374.12192	1.1
375.08972	1.6
393.10294	2.8
407.09171	0.9
410.78818	1.1
462.66156	1.1
480.34924	1.1
536.22900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03917	2.1
55.01848	1.7
57.03407	1.3
61.02900	1.5
68.99780	1.0
69.03430	6.7
69.07048	0.7
71.04969	1.1
71.45776	0.5
73.02888	1.8
73.04726	1.3
75.04454	1.3
79.05472	0.8
81.03419	6.2
81.07042	0.7
85.02901	16.1
87.00828	5.8
91.03921	0.5
91.05353	0.8
91.05775	1.8
91.83121	0.4
93.07026	0.8
95.04919	0.7
95.08572	0.9
97.02880	6.9
99.04460	2.7
103.05450	1.0
103.07554	0.7
105.01876	4.1
105.07019	3.9
107.04930	0.5
107.08574	0.5
109.02870	5.9
109.06506	0.6
109.10121	0.8
115.05450	1.0
117.01855	0.7
117.07013	0.5
119.08562	0.8
121.06477	2.5
123.04398	0.6
125.05976	0.5
127.03918	10.0
131.04906	0.7
133.05566	0.6
133.06491	9.8
133.10106	0.9
135.04373	0.6
135.08051	1.0
137.05975	3.8
138.06287	0.5
139.03864	1.0
139.07506	1.1
145.04964	4.2
145.10066	0.8
146.07227	0.7
147.04454	1.1
147.08008	1.0
149.05951	0.5
149.09517	0.5
150.06700	1.9
151.03844	0.6
151.07506	1.6
159.02896	3.4
161.05971	6.7
162.06741	4.8
162.41801	0.4
163.03877	0.9
163.07477	1.3
165.05487	0.6
165.09111	6.0
167.03348	0.7
167.05612	3.6
175.03680	0.4
175.07542	1.3
177.09100	16.0
178.06233	5.0
179.07016	1.9
182.05737	0.8
187.14680	0.5
189.05446	1.1
189.09079	0.6
191.07069	0.8
193.08591	44.8
194.08942	0.9
195.06499	0.8
195.10129	1.1
206.05669	0.6
207.06522	5.1
207.10248	0.5
210.08775	1.1
210.18011	0.5
217.08595	0.6
217.15814	0.7
221.08073	76.6
222.08821	10.3
225.04253	0.6
231.04803	1.0
235.09584	0.7
235.16869	1.1
239.09181	2.5
253.10703	100.0
254.11050	1.4
266.99738	0.8
271.11594	3.4
277.10706	0.9
281.04779	0.6
283.03122	0.9
295.11816	1.0
299.06119	7.2
319.12265	0.5
344.97888	1.0
359.02756	1.0
361.12720	0.9
390.19922	0.6
415.03729	1.3
501.15866	1.0
536.20905	1.5
536.31006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77295	3.1
55.05513	8.3
67.05488	6.8
69.03420	10.2
69.07076	22.2
70.50763	6.8
71.04986	4.6
73.04747	17.7
73.33189	2.8
73.82184	2.8
79.05487	19.1
81.03411	2.8
81.07050	17.0
83.04979	60.0
85.02888	6.4
85.06540	4.2
91.05437	12.2
91.05825	11.8
93.07040	24.8
95.04951	12.2
95.08578	6.2
97.06526	50.7
99.04451	16.0
105.07029	50.1
107.04936	8.9
107.08577	18.2
109.06495	15.9
109.10114	3.4
111.08026	2.9
113.05974	2.7
117.07014	11.6
119.04910	10.5
119.08569	13.9
121.06518	26.6
121.10153	6.0
125.05118	6.0
125.05991	83.5
128.06184	4.2
129.06989	6.0
131.08571	20.6
133.06526	7.2
133.10114	9.7
135.08072	2.9
135.11642	4.8
137.05957	9.8
139.07500	6.8
143.07013	64.5
143.08617	6.4
144.09337	5.5
145.06491	9.4
145.10120	100.0
147.08032	4.1
147.11687	4.7
149.04456	6.1
151.07594	17.4
154.07744	3.4
157.08617	5.5
158.07294	9.5
159.08063	8.2
159.11690	40.7
163.07434	3.4
163.11179	30.1
167.05547	26.8
169.10104	11.9
171.11636	4.2
172.08842	4.7
173.09618	64.8
177.12794	10.4
181.04935	9.0
182.05283	3.1
187.11168	61.4
189.12740	4.8
191.10684	22.6
197.09608	11.6
205.12227	61.7
209.11699	6.4
211.09604	7.2
215.10655	76.8
223.13240	7.7
225.04323	3.9
233.11731	75.9
235.05969	3.5
235.16902	3.5
236.06201	3.4
239.09525	5.4
251.12767	44.5
253.10719	6.1
266.99753	4.2
269.13870	26.4
283.03110	7.4
299.06149	57.5
300.06308	4.2
307.15359	4.1
325.16452	26.4
343.17569	8.2
344.97565	9.7
346.61224	3.2
409.15073	4.0
415.03650	5.0
518.37646	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	536.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92273	4.4
67.05511	5.8
68.75469	3.7
69.03429	14.7
69.07072	27.7
69.30878	22.2
71.04999	6.0
73.04743	11.2
79.05485	13.1
81.07049	11.7
83.04980	64.3
85.02887	8.3
87.04554	4.2
91.05475	14.9
91.82253	3.7
93.07046	13.8
95.04977	13.4
95.08592	6.7
97.06534	46.7
99.04460	14.5
101.06044	4.5
105.07026	42.7
107.04972	6.0
107.08569	13.3
109.06517	13.9
112.70161	3.6
117.07026	8.1
119.04946	6.0
119.08587	10.0
121.06533	29.4
121.10159	4.2
125.05991	100.0
129.06996	4.7
131.08556	19.0
133.06487	6.5
133.10095	6.2
135.11725	5.8
137.05957	7.3
139.03867	6.5
143.07034	88.6
143.08253	7.3
143.08595	6.6
144.09343	5.6
145.06512	8.7
145.10120	68.9
147.08047	6.2
147.11716	6.9
151.07535	12.9
154.07819	4.7
158.07251	7.5
159.08096	6.0
159.11693	29.5
163.11174	13.9
167.05554	13.4
169.10149	9.6
171.56500	3.5
172.08842	5.6
173.09613	72.1
177.12750	17.4
187.11162	50.6
191.10670	25.7
197.09631	7.3
205.12225	61.1
206.12616	3.9
207.06522	6.9
209.11685	5.9
215.10684	59.2
227.66777	4.5
233.11710	61.1
235.16896	6.6
244.16876	18.0
251.12848	27.2
253.17615	4.2
272.43347	3.8
284.20044	10.1
288.05875	5.5
297.20898	3.5
299.06137	27.9
325.16443	8.7
330.20636	7.5
343.17407	8.8
359.02853	5.1
402.58188	4.3
409.13831	4.5
415.03607	4.5
536.27948	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.4
53.03947	2.9
53.71291	1.2
55.01870	3.2
55.05511	4.7
57.03438	1.8
57.07066	2.2
57.54831	1.1
61.02919	1.5
67.05492	6.5
69.03427	8.7
69.07066	10.1
70.20935	1.1
70.21279	2.7
71.04981	4.9
73.04745	5.3
77.03936	2.4
79.05487	9.6
81.03424	6.4
81.07053	18.2
83.04982	3.3
83.08629	5.7
85.02907	14.4
85.06541	15.9
87.00825	4.8
91.05352	1.4
91.05897	6.5
93.07040	13.6
94.06566	5.3
95.04975	9.0
95.08610	24.4
97.02891	6.5
97.06525	5.0
97.10175	3.2
99.04431	3.7
99.08083	4.7
101.06019	1.5
103.05490	1.3
104.04977	8.5
105.01860	3.6
105.04530	3.9
105.07034	11.9
107.08592	17.3
109.02892	3.7
109.06508	4.0
109.10163	8.2
111.04429	1.5
111.08050	1.7
115.03896	1.4
117.07018	1.2
119.08581	28.7
121.06489	4.2
121.10142	18.5
122.06023	1.2
123.08070	5.1
123.11691	1.7
124.03929	1.6
125.09644	1.4
127.03933	8.8
127.07542	3.0
127.11194	8.3
129.01875	1.6
131.08586	3.5
133.10127	22.3
133.11110	1.1
134.06018	9.7
135.08041	5.4
135.11707	9.1
136.03964	1.3
136.07574	11.1
137.05916	1.6
137.09613	3.2
137.13252	16.6
138.05476	1.7
139.03947	3.4
139.07512	1.2
139.11223	1.4
141.09132	1.5
143.07109	1.4
143.08577	2.6
145.04921	2.2
145.10085	2.2
147.08043	3.6
147.11642	8.5
149.02402	1.1
149.04453	2.2
149.09602	2.5
149.13214	2.1
151.07480	1.7
151.11185	2.8
152.07072	1.8
153.09079	7.2
154.97623	1.3
157.08777	1.2
157.10109	4.5
159.02867	1.4
159.11705	10.7
160.03931	13.0
161.09610	7.6
161.13248	5.2
162.05507	29.7
165.09105	5.0
165.12738	2.7
167.05559	10.4
167.06815	1.6
167.10655	3.2
173.13254	4.4
175.11229	6.5
175.14816	19.5
177.12790	3.1
178.04993	100.0
179.05342	1.9
179.10693	13.3
180.06589	3.7
181.12238	4.8
189.12779	2.4
189.16403	4.5
193.12270	5.3
193.15884	12.5
195.13782	2.3
199.14801	7.7
209.11678	4.1
209.15355	1.3
210.11513	1.9
211.08517	1.2
213.10182	2.2
217.15891	22.4
223.06386	1.6
225.04330	2.0
225.10185	3.9
231.04996	1.4
235.16927	82.9
236.17039	1.7
238.07475	1.2
238.11043	1.8
239.09653	1.8
239.11850	1.8
251.08145	4.1
253.09851	3.8
253.17999	55.7
254.10332	2.0
255.11108	1.5
265.09726	4.7
266.10541	1.6
266.99854	1.9
267.07629	3.3
271.11612	5.1
271.19043	43.0
279.07764	3.1
281.09052	1.2
283.03043	3.6
293.09229	4.2
294.09836	4.5
295.07431	1.5
295.10709	4.8
297.12329	2.5
299.06140	22.7
299.10141	5.5
300.06302	2.2
307.07101	6.8
313.11792	13.9
315.13397	4.9
321.08698	2.8
323.10233	1.9
331.12839	8.0
339.09750	16.1
341.11316	3.9
344.97656	4.7
349.08310	3.0
359.02783	2.3
367.09253	6.5
385.10284	36.2
415.03622	3.4
474.16580	11.1
475.17053	1.7
492.17557	8.7
503.11151	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87967	0.2
57.03438	0.4
65.03931	0.3
67.05503	0.3
69.03431	1.3
69.07065	1.1
69.52277	0.8
71.05015	0.2
73.04749	0.8
75.12282	0.2
77.03937	0.4
79.01086	0.2
79.05498	0.6
81.03423	0.4
81.07037	0.3
85.02908	1.5
87.04474	0.5
91.05453	1.2
91.05831	1.0
93.07041	0.7
95.04954	0.7
95.08614	0.4
97.02886	0.8
103.05467	0.4
105.04475	0.4
105.07063	0.4
107.08576	0.3
108.05745	0.8
109.02888	0.3
109.06543	0.3
110.85126	0.2
115.03922	0.9
119.08566	0.2
121.02818	0.5
121.06479	1.4
121.10175	0.3
123.08070	1.2
124.85598	0.2
127.03911	0.5
133.04967	0.6
133.06528	0.3
136.05202	1.6
139.07558	0.7
150.07628	0.4
151.07539	100.0
152.07910	1.0
161.09558	0.4
163.07527	0.4
165.09103	0.8
167.05556	2.0
175.11218	0.3
179.10672	1.4
181.04968	0.8
189.01605	0.3
196.07220	1.6
205.29713	0.3
207.13802	48.0
208.14142	0.8
211.09659	1.0
219.13823	0.5
222.12465	0.7
225.04286	0.3
231.13820	0.8
249.14839	0.7
253.14360	2.4
266.99765	0.5
271.15454	1.2
283.03070	0.8
299.06186	3.9
303.15930	0.6
333.17175	0.3
344.97522	0.7
359.02692	0.3
415.03720	0.6
493.09003	0.2
503.10498	0.4
536.23853	0.3
537.18457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75623	0.7
54.86743	0.7
56.96565	2.2
57.03431	2.0
61.02922	2.4
64.46756	0.7
69.03435	5.8
69.78044	1.8
69.78412	1.3
71.08630	2.9
73.02921	1.1
73.04756	5.0
73.23520	0.7
75.65296	0.6
79.30834	0.8
81.03400	1.7
84.96027	1.4
85.02902	30.8
91.03928	1.5
91.05803	7.8
95.73911	0.7
97.02898	9.3
98.97580	5.9
99.04465	1.8
100.11295	0.7
109.02886	2.5
110.03661	3.3
110.97572	2.9
116.98623	1.8
125.05988	28.4
125.80103	0.7
127.03930	5.6
128.83043	0.7
128.98640	4.7
136.35687	0.8
143.00226	0.8
145.04951	12.0
146.99706	1.8
149.02380	1.0
149.04552	2.2
149.05898	1.3
158.99626	0.9
163.06036	3.1
163.07338	0.8
166.90225	0.9
167.05560	6.4
177.00711	0.9
193.05014	1.0
195.13800	100.0
196.14198	1.6
207.13828	1.3
219.01797	4.6
219.13727	5.4
225.04208	1.7
231.13792	2.4
233.15465	0.9
237.02776	8.9
237.14836	2.5
239.09526	1.5
261.14874	5.3
266.99918	2.3
283.03079	1.7
299.06152	16.7
300.06482	1.0
303.15768	1.4
321.16879	4.2
344.97644	2.3
357.19144	0.8
359.03015	1.5
409.11688	6.3
415.03452	2.0
427.12811	10.3
428.13351	0.9
450.14297	1.0
469.14020	0.9
503.10971	1.3
537.26416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04586	1.1
51.09326	1.2
53.03943	2.8
55.01854	2.4
55.05511	5.4
55.29469	1.2
57.03439	1.7
57.07075	1.9
64.52454	1.3
67.05495	8.8
67.75137	1.1
69.03437	6.9
69.07076	9.2
69.68262	4.3
71.04993	3.9
73.04749	4.0
77.03938	3.5
79.05491	7.6
81.03017	1.1
81.03409	6.9
81.07050	16.5
83.04987	2.4
83.08620	4.0
85.02912	14.5
85.06542	13.5
87.00846	6.0
87.04477	1.2
91.05408	2.1
91.05818	4.5
93.07049	13.3
94.06573	7.3
95.04966	7.7
95.08614	27.3
96.04509	1.3
97.02897	5.3
97.06534	3.6
97.10185	1.9
99.04460	4.1
99.08083	3.5
101.06032	2.5
103.07295	1.1
104.04994	11.6
105.01883	4.2
105.04527	4.0
105.07049	12.0
106.06554	2.3
107.08605	16.9
107.43210	1.2
109.02893	5.0
109.06513	2.5
109.10163	7.4
111.08103	2.7
117.07040	1.3
119.08590	26.5
120.22864	1.1
121.06496	2.4
121.10146	15.9
123.08104	4.3
123.11742	2.5
125.05982	2.2
125.09676	3.4
127.03917	7.3
127.07570	2.3
127.11161	6.5
127.93799	1.1
131.08554	3.2
133.06561	1.2
133.10126	18.0
134.06013	9.3
135.08089	4.0
135.11679	8.4
136.03993	1.2
136.07574	9.4
137.05984	1.9
137.09682	2.6
137.13274	14.9
139.03934	2.4
139.11183	1.9
143.08562	2.3
145.04997	1.6
145.10143	3.3
147.08052	1.6
147.11719	8.0
149.04515	1.7
149.09673	3.5
151.11237	2.2
153.09114	5.1
157.08658	3.9
157.10147	3.8
159.02898	3.4
159.11699	13.1
160.03940	11.8
161.09642	10.2
161.13329	4.1
162.05513	34.4
163.05972	1.1
163.11113	1.2
163.14899	1.3
165.09099	3.9
165.12764	3.0
167.05583	7.0
167.10759	3.1
168.27429	1.4
173.13261	4.9
175.11223	5.6
175.14841	16.0
177.12799	3.6
178.05003	100.0
179.05357	2.6
179.10663	12.9
180.06627	3.4
181.12248	5.5
185.10741	2.9
189.12805	1.5
189.16389	4.5
191.14145	1.6
193.10754	1.2
193.12187	6.7
193.15886	12.0
193.17555	1.6
195.13884	2.0
199.14819	6.3
207.17424	1.7
209.10808	2.1
209.11836	2.2
209.15367	1.3
210.11581	4.5
213.10240	2.2
217.15872	17.7
223.08586	2.1
225.10252	6.6
231.04970	1.9
233.15518	1.5
235.16934	75.5
236.17421	1.6
237.10277	3.4
238.11073	1.9
239.09583	1.7
239.11826	1.3
251.08302	1.8
253.09746	3.5
253.18010	49.2
255.11282	3.4
257.09293	2.5
265.09717	3.8
266.99902	3.2
267.07706	3.0
271.11746	2.5
271.19046	42.7
279.07593	5.2
281.09210	1.9
283.03165	3.3
293.09085	7.6
294.09918	4.3
295.07367	1.9
295.10727	4.4
297.12292	3.0
299.06201	18.6
299.10220	6.1
307.07053	7.6
307.19284	2.0
313.11789	18.0
315.13458	5.4
321.08716	3.7
323.09918	1.3
331.12952	9.7
339.09756	16.0
341.11328	5.4
344.97595	3.5
349.08228	4.3
367.09259	5.3
385.05377	2.0
385.10312	37.2
386.10696	2.2
415.03479	3.0
474.16663	12.9
492.17657	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	536.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
57.07079	3.4
60.08144	3.1
67.05518	4.7
69.07063	3.3
69.23508	8.3
69.23917	7.0
73.04763	11.1
79.05492	5.4
81.07071	10.1
83.08631	4.6
86.09714	11.7
89.04865	3.0
91.05805	10.7
93.07034	17.7
95.08600	13.4
98.23410	6.5
105.07034	12.4
107.08592	17.8
109.10172	10.2
117.07017	5.0
119.08604	17.8
121.10114	16.1
123.11682	4.2
125.00020	7.9
129.07065	5.4
131.08591	11.6
132.52995	2.5
135.11684	29.0
137.09636	9.5
143.08533	10.0
145.10088	6.9
147.11670	3.3
149.04550	3.7
155.08591	6.5
157.10132	15.3
159.11707	8.4
164.24889	2.6
165.09061	2.6
166.07828	4.8
167.05533	18.8
167.06813	3.1
167.08609	7.8
169.10143	7.8
171.11693	10.3
173.13298	7.7
175.11288	4.2
181.10100	26.6
182.05736	4.2
183.11760	7.1
184.07321	50.2
185.13255	8.4
189.12761	3.4
194.10840	3.6
195.11665	18.2
196.07413	3.0
197.13313	5.5
198.08871	3.0
199.14830	9.7
201.12798	4.6
209.13266	18.4
223.14789	17.5
225.04228	4.1
225.16418	10.7
227.14328	10.0
237.16402	7.8
239.09296	4.3
239.18028	4.0
255.21100	10.6
265.19504	68.4
266.99985	3.9
275.62503	2.8
283.02884	5.6
283.20541	100.0
284.21033	5.7
299.06177	39.4
300.06219	3.4
300.84686	2.6
301.21652	18.6
325.21600	26.0
343.22650	14.0
344.97470	4.7
415.03632	6.1
503.10449	3.5
536.29364	6.7
536.37274	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	536.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05514	27.2
57.03432	6.4
57.07074	20.8
61.02921	5.6
67.05507	46.2
69.06712	3.4
69.07069	49.8
69.37336	1.7
70.67377	2.4
71.04993	4.0
71.08625	12.6
75.04490	3.6
79.05489	15.3
81.07056	52.1
83.08618	41.1
85.02906	5.7
85.06549	2.8
85.10179	4.4
93.07047	27.2
95.08609	47.4
97.02900	2.1
97.06535	10.6
97.10171	28.6
98.10445	1.7
107.08599	21.5
109.10155	25.7
110.12245	1.8
111.08098	5.8
111.11736	12.2
111.64016	1.6
121.10151	49.4
123.11726	10.4
125.09662	2.6
125.13245	2.7
135.11694	34.1
137.13170	3.8
139.11180	2.5
149.13251	14.2
151.14838	5.8
162.96860	1.8
163.14847	5.8
165.16434	5.9
177.16420	3.1
247.24202	37.8
265.25269	100.0
283.26315	16.2
299.06210	6.2
339.28946	81.7
357.29990	36.2
379.12122	2.1
558.12219	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	30.8
57.03436	5.7
57.07079	15.1
61.02902	4.0
67.05498	33.3
69.07070	51.4
70.63412	5.2
71.08632	12.1
72.90007	3.4
73.04749	13.3
79.05502	20.4
81.07056	48.7
83.08629	32.0
85.02879	4.7
85.10194	6.9
86.09705	4.8
91.05841	17.8
93.07044	25.5
95.08613	48.4
97.06544	8.6
97.10172	22.1
107.08582	23.1
109.09525	3.7
109.10131	21.0
111.08064	6.7
111.11715	8.1
121.10133	36.3
122.22974	3.9
123.11714	9.5
124.99962	4.3
135.11711	37.7
149.13258	13.6
151.14818	5.9
154.06255	7.7
163.14902	4.2
165.16394	4.8
166.06180	4.1
167.05556	26.5
169.05045	3.7
178.18994	3.6
184.07288	19.4
225.04175	5.2
247.24214	32.1
265.19580	8.7
265.25290	85.9
267.00177	4.8
283.02936	7.0
283.20486	18.4
283.26202	18.4
299.06207	45.4
339.28967	100.0
344.97580	10.2
357.30109	28.1
358.36154	3.7
359.03073	4.1
415.03619	11.4
469.44733	4.1
499.17633	4.0
536.21619	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	536.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05552	4.1
55.05503	5.1
63.10005	3.6
67.05483	6.2
69.07072	3.5
73.04774	6.5
78.95770	3.3
81.07059	11.1
83.08620	5.0
89.06033	4.5
91.05827	8.3
93.07047	6.2
95.08609	13.4
105.07027	7.5
107.08585	7.2
109.10152	9.9
111.08090	59.0
119.08590	3.7
121.10138	44.5
123.08036	9.9
123.11749	7.0
131.08406	3.4
133.10179	3.4
137.09610	12.7
143.25935	3.2
145.06619	3.8
147.11644	5.9
149.04512	5.8
163.14807	3.8
165.12749	20.0
167.05534	12.3
179.11935	3.4
183.13792	7.0
257.22470	4.0
265.25479	3.9
275.23703	86.2
276.24451	3.9
283.02982	4.1
299.06137	31.0
300.06161	6.1
344.97882	3.7
371.30066	3.5
411.69312	3.3
415.03745	4.5
465.83530	3.5
503.24228	3.3
536.24896	4.0
536.43085	100.0
537.30383	3.1
537.43030	3.8
554.84607	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	537.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.48488	0.3
67.05498	0.7
69.07069	0.3
69.32121	1.3
73.04766	0.5
77.36430	0.2
79.05486	0.3
81.07061	0.7
84.87669	0.3
89.53777	0.3
91.05474	0.9
93.07064	0.6
95.08590	0.5
98.22659	0.5
98.77511	0.3
105.07011	0.6
107.08627	0.6
109.10136	0.3
119.08604	0.8
133.10156	0.6
167.05586	0.9
196.59999	0.3
201.03749	0.5
222.77403	0.3
239.09839	0.2
275.07462	0.6
283.03204	0.4
299.06171	1.8
300.06192	1.7
333.07925	10.7
335.09497	5.1
405.22528	0.6
537.26703	100.0
538.27032	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	537.2671
Annotation	Asn Glu Phe Lys
Peak:m/z	Relative Intensity
51.47637	0.3
57.97162	0.3
69.19090	1.9
73.04761	0.6
78.61623	0.3
79.05512	0.4
81.07056	0.8
81.49538	0.3
91.05441	0.5
93.07053	0.7
105.07021	0.8
119.08586	0.3
133.10092	0.5
147.11685	0.6
149.04527	0.3
150.37204	0.3
167.05598	0.9
225.04225	0.3
258.78641	0.3
266.99896	0.4
275.07355	0.6
284.02945	0.4
296.69391	0.3
299.06302	1.6
300.06128	1.6
333.03931	0.7
333.07919	12.9
335.09528	4.0
405.22385	0.9
408.39984	0.3
528.30334	0.3
537.26672	100.0
538.26978	2.6
547.53558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06627	0.7
69.51826	2.6
73.04761	1.6
81.07086	0.8
82.33781	0.6
91.05799	2.2
98.23450	1.6
112.06826	0.8
112.07607	2.9
117.53463	0.6
119.08590	1.0
126.20182	0.7
144.48979	0.7
167.05545	3.7
168.05791	0.8
216.83311	0.7
226.59404	0.7
299.06259	3.5
300.06137	4.2
333.08032	7.4
335.09534	8.7
345.97891	0.7
360.02728	0.8
416.03510	1.2
504.10550	1.1
537.16602	3.0
537.26709	100.0
538.27228	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	537.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88546	0.4
53.03886	0.5
66.43791	0.5
68.04946	5.6
68.05333	1.1
68.24500	0.4
69.03384	0.5
69.05727	10.7
69.06138	1.2
71.44182	0.5
73.04691	0.7
73.06927	0.4
81.06990	0.7
85.02827	0.5
86.09612	50.5
86.10183	3.5
91.05388	0.8
93.06954	1.8
95.04922	0.8
96.04380	0.5
103.05464	4.9
105.06957	1.0
107.04861	0.6
107.08559	0.5
120.08104	35.6
120.08888	1.5
121.06435	0.6
122.09560	2.1
124.03946	12.0
127.03813	0.6
131.08533	0.5
132.08011	0.6
133.06398	1.0
133.10031	1.0
136.07568	0.6
137.02232	1.0
137.12001	3.0
138.12793	3.0
138.50545	0.5
145.10045	0.6
157.06334	1.2
158.07239	0.8
159.07909	1.3
159.11636	0.9
161.05978	9.6
165.05481	0.6
167.05484	1.1
174.09140	11.1
182.07988	0.7
185.05815	0.9
186.09041	1.6
188.10529	0.6
190.08589	1.0
201.16269	0.9
203.07030	21.7
203.11806	3.5
204.10187	0.8
207.10182	0.6
220.09683	36.3
232.09694	6.9
243.11227	3.5
249.12335	31.1
249.15007	1.1
281.26294	0.5
299.06137	1.5
300.06183	2.0
301.05841	0.6
316.20139	1.1
317.18411	1.7
333.18176	2.4
345.97958	0.5
362.16132	1.0
362.20706	21.4
363.20929	1.2
378.18170	2.0
390.20209	100.0
391.20621	2.3
396.18729	0.6
416.03827	0.7
424.18396	3.1
459.25064	0.6
471.05338	0.6
494.33545	0.7
509.27844	0.7
537.20111	1.3
537.27161	24.5
537.34094	1.2
538.25964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54628	0.4
72.01102	0.4
73.04784	0.8
78.14581	0.4
88.46383	0.5
91.05804	1.7
101.70783	0.5
116.12315	0.5
128.13248	0.5
131.07047	0.5
152.04716	0.6
167.05557	1.6
185.70613	0.6
201.69499	0.5
228.02100	0.5
299.06281	1.9
300.06326	2.1
416.03659	0.5
434.03690	0.5
537.30328	100.0
538.30768	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	537.3037
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
65.55604	0.2
68.09232	0.2
69.12505	0.6
69.12907	0.4
71.30089	0.2
73.04774	0.3
73.88436	0.2
91.05830	0.4
113.54678	0.2
149.04614	0.2
167.05574	0.2
168.05829	0.2
185.04240	0.5
203.05231	1.1
207.24596	0.2
259.07944	0.5
283.03125	0.2
299.06259	0.5
300.06274	0.7
301.20221	0.2
375.25000	0.2
472.41541	0.2
504.10864	0.2
537.30328	100.0
538.23047	0.3
538.30682	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	537.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.05511	27.2
57.05381	2.4
57.07075	9.9
65.03933	3.1
66.56064	2.5
67.05505	39.4
68.99796	5.1
69.07068	54.0
70.86141	4.1
71.01357	4.5
71.08624	6.8
72.62407	2.4
79.05491	24.6
81.07058	100.0
81.39220	2.8
83.05008	3.6
83.08614	14.0
91.05463	18.1
93.07042	32.8
95.02739	3.0
95.04955	6.6
95.08610	55.6
97.10180	7.1
100.14758	2.8
103.27573	2.9
105.07033	49.2
107.08611	26.1
109.06544	3.5
109.10165	38.8
111.04443	10.8
111.11709	3.5
117.07042	6.2
119.04938	8.3
119.08596	33.7
121.06506	9.8
121.10150	14.8
121.69205	2.8
123.04460	5.2
123.11736	16.7
125.06000	5.0
128.06239	3.3
129.07011	4.6
131.08563	17.6
133.06555	6.9
133.10164	20.7
135.08087	3.3
135.11700	11.2
137.05965	8.4
137.13237	6.4
139.03885	35.4
142.07814	3.9
143.08580	10.7
145.06506	5.1
145.10114	16.9
147.08086	6.6
147.11685	16.4
149.13252	4.4
151.07555	2.9
153.05446	17.1
155.08592	4.2
157.10124	10.5
159.08087	6.0
159.11707	9.3
161.05981	4.7
161.13280	5.6
163.03951	2.7
163.07524	9.8
165.05482	5.3
165.09154	5.4
169.10074	5.2
171.08124	7.4
171.11722	6.5
173.05806	3.0
173.13326	4.7
175.07527	5.8
175.14880	2.7
177.09143	5.4
177.16388	2.8
179.07033	7.6
183.11789	5.6
185.09665	3.1
185.13255	5.9
187.07573	6.0
187.11171	4.2
189.09155	4.1
195.11768	4.5
197.09723	3.1
197.13177	3.1
198.31294	3.0
200.42145	2.7
201.16338	5.3
206.04636	2.8
209.13301	3.1
213.12752	3.7
215.10699	3.3
223.14774	3.6
229.12192	2.9
241.12097	3.8
245.59537	3.0
282.27948	4.1
379.11111	2.9
401.30576	7.2
407.36990	3.5
409.39734	2.8
411.32227	4.8
437.34314	3.8
451.35721	6.5
463.35770	3.7
463.42709	3.2
469.37155	3.5
491.42410	6.1
519.41949	51.7
537.43073	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
56.21046	1.0
57.03436	9.0
59.04996	1.4
61.02917	1.2
62.65897	0.9
67.05515	1.0
69.03410	2.8
69.07056	1.9
69.29833	2.0
69.30236	3.3
71.01330	1.3
71.04990	65.7
73.02936	1.2
73.04755	1.6
75.04469	4.4
81.03412	1.7
81.07053	2.6
83.05002	4.8
85.02901	100.0
87.04468	1.5
93.07029	2.0
95.08600	2.6
96.17431	0.9
97.02885	4.1
98.22579	0.9
105.07020	1.2
107.08587	1.8
108.29905	1.0
109.02872	2.0
109.10155	1.8
110.95118	0.9
111.04474	5.2
112.28738	0.9
121.10072	1.3
123.04439	1.8
125.01530	0.9
127.03944	4.8
129.05472	48.5
131.08513	1.0
133.10124	1.4
134.06024	1.0
144.00334	0.9
144.06516	1.3
145.04956	4.1
145.10141	1.1
146.08159	1.6
147.06517	23.0
147.11627	1.0
158.44986	1.0
162.07617	1.2
163.05998	1.5
164.09219	8.9
167.05493	1.0
180.08650	2.8
180.10132	1.1
181.12181	1.1
191.17833	1.1
252.86461	1.0
255.08374	1.6
255.19652	1.0
268.91888	1.0
299.06131	1.6
300.06229	2.3
301.05942	3.2
305.24655	1.2
323.25766	3.3
341.27274	1.5
359.27826	1.7
502.35184	1.5
538.26978	1.6
538.37122	4.4
539.24420	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08055	0.4
61.02937	0.7
61.32796	0.4
69.03420	1.9
73.04784	0.5
79.05531	0.7
81.03415	0.8
85.02905	9.6
91.03958	0.4
95.08601	0.6
97.02882	2.5
99.04427	0.5
105.07031	0.5
109.02847	0.5
123.08050	1.0
127.03922	1.8
133.06494	1.1
137.05975	58.8
138.06320	0.9
145.04974	3.2
151.07538	27.4
152.07907	0.6
161.06003	1.5
163.06017	1.3
163.47780	0.4
167.05583	0.6
179.07027	100.0
180.07355	2.0
197.08087	83.8
198.08438	1.0
203.07045	1.2
221.08000	1.5
245.08032	0.6
245.76509	0.5
250.97766	0.4
263.09061	2.0
287.09036	0.6
299.06204	0.9
300.05975	0.5
301.05856	0.8
420.29233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43171	1.0
53.03964	1.4
55.01862	2.0
55.05504	2.1
57.03426	6.5
57.07062	1.2
59.05004	1.9
67.05495	2.3
69.03432	22.4
69.07071	2.2
71.04992	6.3
71.42436	1.4
73.02934	1.6
73.04751	2.2
79.05484	2.9
81.03417	2.2
81.07059	8.6
83.04975	3.5
83.08631	2.7
85.02903	20.8
85.06538	2.5
87.04468	13.5
91.05420	1.4
93.07058	6.6
95.04974	14.5
95.08109	1.2
95.08606	7.0
97.02888	20.5
97.06538	6.1
99.04425	5.5
99.08118	1.4
105.01830	1.2
105.07040	8.5
107.08600	8.2
109.02903	1.5
109.06537	9.2
109.10172	3.9
111.04436	1.5
111.08068	1.7
115.03925	25.8
119.08607	4.9
121.06535	1.6
121.10123	12.0
123.08066	3.7
123.11726	2.1
125.09618	2.9
127.03923	4.2
127.07542	1.6
131.08583	5.1
133.04959	23.1
133.10117	16.2
135.08084	1.7
135.11668	2.7
137.02335	12.1
139.11162	2.1
140.77621	1.2
143.10690	2.1
145.04990	4.1
145.10139	4.0
147.11687	17.0
149.13245	2.1
151.03842	1.5
151.07584	1.6
151.11185	1.9
153.09103	8.3
155.03400	1.9
159.11668	2.9
161.13260	2.5
163.14818	1.6
165.12752	3.9
167.14304	1.2
171.10175	3.2
173.13249	6.6
177.05510	2.0
191.14308	10.5
201.16385	4.2
209.15350	23.6
215.33911	1.3
219.13844	3.1
219.17387	3.2
223.06157	1.3
227.16408	100.0
236.20117	1.3
237.14893	2.6
237.18550	3.3
241.06944	1.4
255.15886	2.7
255.19632	1.7
259.08023	1.7
295.10107	3.2
299.07297	2.3
299.12350	1.5
301.05978	2.0
343.11255	2.3
358.20428	1.3
538.28192	5.6
542.28674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
54.85741	0.6
55.01857	1.6
55.05510	3.3
57.03419	1.4
57.07067	0.6
59.64113	0.5
61.02910	1.2
67.05161	0.9
67.05504	13.8
68.99807	0.6
69.03419	3.7
69.07068	5.0
71.04981	1.4
71.08632	8.8
73.02898	0.9
73.04748	0.8
79.05507	3.3
81.03407	4.4
81.07055	35.2
83.04997	0.9
83.08617	7.9
85.02393	1.0
85.02901	10.7
85.06551	0.7
87.00839	5.4
91.05430	1.4
93.07045	4.4
95.08604	57.6
97.02883	4.9
97.04220	0.6
97.10145	2.4
99.04433	2.2
99.08097	6.2
105.01871	3.9
105.07031	2.0
107.08591	3.3
109.02901	2.8
109.06513	0.7
109.10154	41.0
111.08101	0.6
111.11694	1.0
115.03919	0.6
117.01849	0.8
119.04963	0.7
119.08580	2.7
121.10146	5.8
123.08088	1.7
123.11702	6.2
127.03903	5.7
127.07568	1.1
133.06477	0.9
133.10097	2.5
135.11693	3.4
137.09589	0.9
137.13269	0.8
139.03865	1.1
139.11176	12.4
141.09053	1.4
145.04947	1.8
147.04425	1.0
147.11693	1.2
148.04924	0.5
149.13222	1.0
151.11185	1.4
151.14807	1.1
153.01808	3.3
159.02861	1.9
161.05959	1.1
165.16393	47.2
166.16701	1.0
167.05580	1.3
171.02977	0.7
175.14822	10.3
177.16396	0.9
193.15881	26.0
194.16280	0.5
201.16330	0.9
211.16927	43.3
229.17981	100.0
230.18402	2.5
231.04997	1.4
237.14276	0.6
237.18590	2.2
255.10155	1.3
255.19540	2.2
273.20612	10.4
277.99115	0.6
291.15836	0.8
291.19379	1.0
299.06192	1.2
300.06113	0.7
301.06030	1.4
301.37225	0.6
305.24585	0.9
315.07028	0.7
344.22763	0.6
359.49323	0.7
377.23425	0.7
444.15491	0.8
484.34265	0.8
495.22455	0.6
520.36249	1.6
538.23151	1.8
538.37164	1.8
539.24365	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	538.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58971	2.1
55.05523	4.4
57.07079	46.7
67.05510	12.5
69.07074	9.5
69.12456	16.2
71.08636	35.8
75.04485	3.1
79.05499	2.6
81.07066	20.5
83.08618	10.1
85.02930	3.0
85.10189	19.3
91.05865	2.7
95.08603	26.5
96.60762	2.7
97.10174	7.6
98.22768	4.9
109.10179	15.0
111.11723	3.6
111.57533	2.2
112.36527	2.2
123.11716	6.0
137.13263	5.3
143.64211	2.2
267.26794	25.9
299.06168	4.1
341.30521	100.0
359.31577	17.2
461.71591	2.5
503.30374	2.5
529.96167	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	538.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56883	6.8
52.24534	6.1
53.13816	5.9
55.05511	7.9
57.07076	22.6
63.66717	5.7
67.05503	21.4
69.07068	13.5
69.14730	24.4
69.15138	16.5
70.60944	5.8
71.08630	23.2
73.04751	8.6
79.05490	8.0
81.07060	25.6
83.08627	10.1
85.10177	16.1
95.08610	28.2
105.06985	9.3
107.08634	10.0
109.10148	16.4
114.05029	6.6
142.78741	6.4
167.05623	8.1
187.92731	10.0
188.92493	18.6
200.00710	6.4
214.57942	6.2
220.89786	6.0
226.94026	21.2
239.23677	29.7
244.95134	11.9
278.06049	7.4
300.06149	7.0
301.06021	13.8
313.27335	100.0
331.28387	42.2
397.45062	8.2
503.33661	15.1
512.81683	7.1
538.28351	94.8
538.35327	9.8
539.28876	16.3
551.73376	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10210	0.4
63.06608	0.4
63.81975	0.4
69.03428	0.5
69.07076	0.6
71.46490	0.4
79.05485	0.6
81.07071	1.2
85.02945	0.6
91.05503	0.6
93.07061	0.7
95.08599	1.2
97.06506	0.7
105.07027	2.3
107.08594	0.8
109.10191	0.8
119.08620	1.8
121.10168	0.7
131.08583	0.7
133.10045	0.6
135.04408	0.8
135.11681	0.5
137.06006	0.8
139.03877	5.1
145.10159	0.6
147.11665	2.9
148.07310	0.5
151.03957	0.6
153.05444	0.5
162.54176	0.5
163.03961	0.5
167.05667	0.4
189.36267	0.5
203.05255	0.8
245.06323	9.2
273.18262	1.8
287.03690	0.6
289.05203	6.9
291.15729	1.4
291.19366	2.6
300.06339	0.5
302.06171	0.7
323.13925	0.5
377.22961	2.9
399.15463	1.9
435.23380	3.0
453.24655	4.8
477.24573	7.9
482.83087	0.6
495.25919	17.1
521.23560	6.0
539.24597	100.0
540.25122	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	539.2619
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
55.05501	0.4
57.07071	0.4
67.05508	1.0
69.07063	0.6
70.32034	0.3
71.08660	0.3
73.70714	0.3
79.05493	0.6
81.03438	0.4
81.07059	1.0
93.07053	0.5
95.08618	0.8
105.07031	0.3
107.08599	0.4
117.06992	0.3
119.08615	0.4
121.10162	0.6
121.28340	0.3
125.05977	0.7
137.05984	0.4
143.82764	0.3
153.05466	0.6
161.02164	0.5
175.30379	0.3
179.07059	0.3
181.10136	0.3
188.92513	0.6
189.01604	0.6
193.08669	0.5
193.52824	0.3
226.94067	0.4
256.26532	0.3
300.97711	0.3
301.05734	0.4
313.27060	0.6
465.16815	0.3
481.21811	0.5
483.27148	0.7
509.21201	0.5
511.26431	1.5
521.28754	0.4
539.26135	100.0
540.26520	4.4
540.53198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.283
Annotation	Gln Tyr Thr Lys
Peak:m/z	Relative Intensity
63.75648	0.4
67.05506	1.0
69.42038	2.3
78.60248	0.5
79.05511	0.7
81.07040	2.7
93.07038	0.9
95.08622	0.5
109.10188	0.6
129.61641	0.5
165.13297	0.5
203.05324	1.0
258.74710	0.5
275.07425	2.4
276.97644	1.6
300.06140	0.7
335.09482	15.7
407.24069	1.0
453.09671	2.3
539.28235	100.0
540.28571	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	539.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86806	0.6
64.76933	0.6
67.05507	0.7
69.19421	0.7
69.73212	0.6
69.87734	1.5
70.67924	0.5
90.99754	0.5
91.05501	0.6
93.07014	0.7
95.08608	0.8
98.22889	1.4
98.23439	0.6
122.34463	0.5
125.05996	0.6
137.05994	2.2
139.07555	0.7
151.07555	2.1
153.05498	0.7
163.07559	0.5
167.07054	1.0
177.09099	1.6
191.10693	2.1
193.08658	0.6
243.74783	0.7
258.38806	0.5
271.91782	0.5
371.21848	1.9
389.34128	0.6
503.20996	1.0
509.25082	10.3
511.26605	0.6
524.27588	3.4
539.30322	100.0
540.30908	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	539.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73956	0.8
60.78113	0.7
61.28849	0.8
64.19428	0.8
69.07063	1.0
69.24279	4.3
87.93605	0.8
124.75581	0.8
137.06018	1.3
167.07092	2.3
169.05272	0.8
177.09145	2.2
184.07347	1.2
221.08429	0.8
298.69620	0.8
442.94815	1.0
509.25290	4.4
524.27222	1.3
539.29822	100.0
540.30347	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	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17646	2.2
71.28233	0.4
110.62476	0.4
125.97719	0.5
203.05264	1.6
214.99451	0.5
244.77814	0.5
333.92999	0.6
402.70203	0.5
514.54010	0.5
538.34210	0.6
539.31903	100.0
540.32269	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92108	0.2
63.33007	0.2
69.04552	1.5
69.64741	0.6
83.87317	0.3
98.22758	0.5
168.50606	0.2
170.69456	0.2
184.93468	0.3
185.04256	0.5
190.80409	0.2
211.91310	0.2
288.57651	0.3
321.22394	0.3
539.31927	100.0
540.24500	0.4
540.32086	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	539.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12692	13.9
55.05499	36.6
57.07080	18.4
58.40552	15.3
63.74064	16.3
66.30031	14.8
67.05505	42.0
69.07066	58.1
69.40791	81.6
71.08620	70.8
78.06747	18.9
79.05486	31.0
81.07046	77.0
83.08627	18.9
85.02934	15.1
91.05456	42.6
93.07041	48.0
95.08596	92.0
98.22699	32.1
99.08085	55.8
99.49311	18.8
105.07018	55.8
107.08595	35.3
109.10143	61.7
119.08514	19.1
121.10110	21.1
125.23406	15.6
131.08540	27.3
135.11752	19.4
137.78079	15.7
143.08572	25.8
146.71519	14.3
147.11636	21.6
151.07523	17.9
157.10150	16.2
167.07059	23.6
182.37743	18.8
189.16325	19.4
203.18112	19.0
213.22357	14.2
239.46240	16.1
265.22800	16.2
371.29337	20.0
439.31992	18.5
489.36929	23.9
495.41898	51.4
507.38239	35.3
521.39740	66.8
539.40625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84332	6.9
53.38410	6.5
55.05504	16.3
67.05505	24.1
69.07056	27.8
69.17250	11.0
69.17657	30.8
69.88680	6.5
71.08621	21.4
72.18165	6.9
79.05473	19.1
81.07060	67.7
82.98840	6.8
89.08179	7.2
91.05448	10.2
93.07050	19.2
95.08601	37.9
99.08079	19.5
105.07023	25.4
105.29137	6.7
107.08605	19.6
109.10139	38.4
115.59071	8.1
119.08595	12.0
121.10095	9.8
131.08568	10.6
133.10059	16.0
135.08017	10.3
135.11716	8.2
138.21475	7.3
139.07605	10.6
145.10126	12.0
147.11662	11.6
151.07516	10.3
153.05499	33.2
164.41057	8.5
167.07014	26.7
175.07507	7.9
181.20168	8.2
201.16333	7.5
203.10651	9.4
211.14755	8.5
262.69067	6.8
335.21866	9.2
349.23694	10.5
379.86075	7.4
403.28247	13.3
439.31985	21.6
460.10684	7.4
465.90546	7.7
493.40344	23.1
503.38782	16.8
521.39880	100.0
539.40924	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	31.8
57.07073	15.8
59.10277	6.9
65.34524	6.6
67.05511	42.1
67.07249	8.0
69.07075	49.5
69.45644	25.8
70.25556	6.8
79.03374	6.9
79.05495	25.4
81.07059	100.0
83.08615	12.4
83.59885	6.9
91.05478	20.4
93.07035	31.9
95.08617	51.0
97.06503	7.9
99.08111	8.1
105.07026	33.2
107.08600	29.3
109.10163	30.4
111.97478	8.1
117.98915	6.8
119.08585	32.6
121.10181	16.2
123.11716	17.3
125.06013	17.9
129.07037	9.5
131.08597	11.7
133.10144	17.4
135.11708	16.9
136.32660	7.7
137.06026	12.0
139.07529	9.2
145.10147	15.3
147.11702	17.7
149.09671	9.1
151.07582	8.8
153.05476	28.0
157.10222	8.8
159.08083	9.7
159.11703	10.3
163.03845	8.2
167.07072	26.5
169.05019	11.0
173.09705	9.2
175.07504	8.8
175.11182	8.5
177.09145	10.3
181.08600	8.5
181.10233	10.6
183.11766	8.4
184.07295	29.8
195.61440	8.8
229.30286	7.6
312.91113	7.4
503.38916	27.0
521.40021	75.4
522.31195	30.2
539.40198	27.1
540.53534	13.3
544.20660	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	540.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86797	0.3
55.05500	0.6
69.03433	1.1
69.07081	0.4
71.44125	0.4
73.02901	0.3
79.05505	0.8
80.84774	0.3
81.03421	0.7
81.07077	0.8
85.02901	1.2
91.05486	1.0
93.07047	0.8
95.04964	1.1
95.08632	0.5
97.02892	100.0
98.03194	0.6
101.22697	0.3
105.03394	8.1
105.04481	0.4
107.05000	0.5
107.08611	0.5
107.35332	0.4
109.06515	0.5
109.10110	0.5
111.04465	0.5
114.05472	0.3
115.03933	0.5
119.04922	0.9
121.06597	0.4
121.10109	0.4
123.04427	0.7
123.08171	0.4
124.03960	0.7
125.02384	0.5
129.07022	0.4
131.04929	0.5
137.05971	5.1
139.03900	0.7
147.11751	0.5
149.05983	0.6
151.03902	1.0
151.07544	3.4
157.06522	0.4
163.07578	1.3
165.05473	0.7
175.07565	1.5
176.07930	0.6
177.05423	0.6
177.09084	1.2
181.04915	0.6
189.09123	1.5
193.04958	1.9
195.06523	2.1
195.07974	0.7
205.08719	0.4
211.05980	0.6
219.06471	2.5
219.10062	0.8
221.09671	0.4
223.07640	0.6
223.09636	0.3
227.10652	1.0
229.07011	1.0
235.09624	0.4
235.16881	0.4
237.07558	4.9
237.09804	0.6
247.08261	0.5
255.10168	1.1
285.11282	0.7
287.12808	2.0
300.63599	0.4
313.14377	1.6
331.15396	9.1
333.09653	0.8
339.13364	1.1
351.10757	3.4
367.13058	0.8
369.11853	0.7
426.20602	0.4
508.20480	1.3
540.41339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42911	0.3
53.03947	0.9
55.01864	0.8
55.05506	1.8
57.03437	11.2
59.04993	0.7
60.04537	0.6
61.02930	1.1
65.03948	0.8
67.05514	0.7
69.03432	3.8
69.07021	0.5
71.01358	0.6
71.04993	77.3
72.05335	0.4
72.35841	0.3
73.02917	2.6
75.04481	4.6
79.05479	0.6
81.03422	1.1
81.07044	1.0
83.04983	6.8
85.02904	100.0
86.03248	0.5
86.06090	0.5
87.04453	2.7
91.03928	0.4
91.05478	3.2
93.03419	0.4
93.07017	0.4
95.04959	0.6
95.08582	0.5
97.02894	5.0
99.04459	2.1
101.06020	0.6
103.03940	1.1
107.04957	5.2
107.08560	0.6
108.73719	0.3
109.02864	1.1
109.10180	0.5
110.06033	0.5
111.04436	5.1
115.03923	1.2
123.04455	0.5
127.03916	4.5
129.05478	44.3
130.05779	0.4
133.04956	1.1
139.03880	0.6
144.06543	0.8
145.04948	2.9
146.08136	2.1
147.06526	19.6
153.06953	1.2
162.07558	1.0
163.06056	0.7
164.09180	6.6
165.07663	0.4
171.08054	1.5
180.08725	1.7
188.09213	0.4
190.96687	0.4
197.05927	0.8
215.07039	4.7
223.09003	0.4
237.07512	0.5
239.20076	0.4
251.11555	0.6
253.09700	0.5
255.08473	1.3
257.21121	0.5
265.09503	0.9
267.11255	0.4
274.18512	0.4
278.10284	0.6
279.11197	0.6
289.05130	0.5
309.11801	1.0
311.10052	0.5
312.10965	0.8
325.11325	0.4
326.14450	0.9
327.13275	2.7
339.13385	4.6
343.11676	0.5
367.12930	3.7
368.13367	0.7
392.17670	0.4
398.82523	0.4
399.15216	0.5
496.25128	0.7
496.58392	0.4
508.20746	4.9
540.24402	3.7
540.36298	0.4
541.21118	1.2
541.29297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.8
57.97770	0.7
61.02935	0.9
66.99107	0.7
69.03448	1.3
69.76863	1.8
69.77244	1.6
73.02897	0.8
74.47256	0.8
79.05484	0.8
81.07049	1.1
82.69817	0.7
85.02919	4.5
91.05469	6.4
91.50817	0.7
95.04967	2.4
97.02853	0.9
103.05421	1.4
105.07052	1.4
106.57726	0.7
107.00629	0.8
107.04916	1.5
109.06493	1.4
114.09908	0.8
115.05450	0.9
117.07011	0.9
119.04948	6.7
121.06524	1.0
122.03635	2.0
123.08135	0.7
127.03931	1.2
128.06229	2.8
129.06995	9.7
131.04933	2.0
131.08577	6.1
133.06421	1.0
134.84286	0.7
135.08064	2.2
136.05212	0.8
137.02287	1.3
137.05971	29.1
141.06982	4.9
143.04884	0.8
145.05020	1.1
145.06467	2.0
146.07220	0.8
149.05971	6.0
151.03928	1.6
151.07538	41.0
157.06468	9.9
158.07178	2.2
159.08081	5.3
160.05220	1.1
161.06006	4.9
161.09642	2.2
163.07555	8.8
165.06979	1.6
165.09090	2.2
167.08540	3.9
169.06512	2.9
170.07227	0.8
174.06752	12.1
174.34775	0.9
175.07526	5.5
177.06882	0.8
177.09099	3.1
178.07678	1.0
181.06439	1.0
181.10220	0.9
186.06813	2.6
187.53534	0.8
188.08437	0.9
189.09103	38.5
191.10670	1.8
193.06491	1.6
193.10193	1.8
195.08090	10.4
201.09074	9.7
207.08231	0.9
207.10197	2.3
210.06744	0.9
212.08321	1.7
219.10161	100.0
220.10437	1.2
221.05998	3.0
221.09592	3.2
223.07486	4.0
224.08278	1.6
225.09129	3.7
225.11078	0.9
227.10663	14.8
237.11215	2.3
238.06364	0.9
240.07861	2.2
249.09166	2.1
253.08522	5.2
253.12212	6.4
255.10150	13.9
267.10172	2.7
269.08118	1.4
269.11575	1.2
272.10416	2.1
281.11694	2.4
285.11182	8.9
287.12769	24.6
299.12653	1.8
311.12640	1.0
313.14319	23.1
314.14450	0.9
331.15387	87.7
332.15646	2.7
343.15244	0.9
447.93988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.03442	0.5
61.02926	0.7
66.69402	0.4
69.03427	2.5
70.30864	0.5
70.72021	1.1
71.04967	0.5
79.05508	0.5
81.03422	1.1
81.07060	0.5
85.02419	0.8
85.02908	6.9
87.14362	0.4
91.03928	0.5
91.05482	6.5
91.43288	0.4
94.04199	1.0
95.04977	1.7
97.02890	1.9
103.05480	1.0
105.07015	1.2
107.04958	1.7
107.08466	0.5
109.02876	0.8
109.06507	1.7
115.05438	0.8
119.04958	6.2
121.06525	1.2
122.03642	1.2
127.03925	0.9
128.06242	0.6
129.07005	4.1
131.04918	2.3
131.08623	0.6
133.06473	0.5
135.08052	1.7
136.05238	1.2
137.05978	25.5
145.04980	0.7
145.06491	0.9
147.04402	0.6
147.08066	0.5
149.05986	5.2
151.03963	2.2
151.07542	37.1
157.06482	4.0
161.05995	4.5
161.09648	0.9
162.06648	0.5
163.07539	9.5
165.07018	1.7
165.09137	2.1
167.08517	3.5
169.06483	0.5
174.06757	2.1
175.07594	2.7
177.09106	3.1
178.07753	1.0
179.08615	0.6
179.22195	0.6
183.08072	0.5
187.07608	0.5
189.09094	11.7
191.08699	0.5
193.06497	0.8
193.10095	2.6
194.07323	0.6
195.08072	7.1
203.08601	1.0
206.07248	0.5
207.04112	0.5
207.08185	1.1
207.10197	2.2
209.09718	1.5
210.06718	1.0
212.08282	1.5
219.08104	0.8
219.10178	0.7
221.06049	2.5
221.09596	3.3
221.11516	0.7
223.07541	3.2
224.08321	0.5
225.05412	0.5
225.09140	2.9
227.10677	11.3
237.09062	1.1
238.06209	0.9
240.07797	0.9
241.12325	0.6
249.09167	2.6
253.08643	4.2
253.12231	6.8
255.06404	0.7
255.07024	0.7
255.10155	11.9
256.10608	0.6
266.09348	0.7
267.10159	1.6
269.08130	1.4
269.11670	0.8
270.08829	0.8
272.10483	1.5
273.60995	0.5
281.11765	2.2
284.10416	0.7
285.11203	8.2
287.12762	21.2
297.11041	0.8
298.11877	0.8
299.12720	1.5
301.14542	0.6
311.12811	0.8
313.14349	21.0
314.14554	0.8
331.15390	100.0
332.15662	1.9
343.15469	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	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
57.03421	0.8
58.05986	0.3
63.47595	0.2
65.03937	0.3
69.03423	0.9
69.10994	0.6
69.11396	1.4
73.02908	0.9
81.03419	1.6
85.02891	1.6
91.05485	0.7
93.03394	0.5
97.02913	1.2
100.11214	0.3
103.03965	0.5
103.05464	0.3
107.04940	0.3
107.08569	0.3
109.02890	0.8
109.84980	0.3
111.04433	1.2
114.09153	0.3
115.05464	0.8
117.07024	0.3
117.81208	0.2
121.10083	0.4
127.03910	0.9
128.06245	0.6
129.07001	4.8
131.04944	0.6
131.08559	5.9
132.08932	0.3
137.02344	20.4
137.03450	1.1
137.05975	1.1
139.03900	0.5
141.06985	4.1
143.05064	0.3
143.08560	0.6
144.05701	0.9
145.04994	0.3
145.06499	0.8
147.04420	0.3
147.08015	0.3
150.07683	0.3
151.03862	0.5
151.07503	0.4
155.03389	3.0
157.06500	3.9
158.07243	2.0
159.08046	6.0
160.05205	1.0
161.09639	0.9
163.07550	1.3
167.07045	0.4
169.06468	2.1
170.07320	1.3
171.08026	0.5
174.06755	10.7
175.07527	3.5
177.05411	0.4
178.11205	0.3
181.12268	0.7
186.06805	2.7
187.07541	1.4
188.08366	0.4
188.20528	0.3
189.09096	23.2
190.09457	0.4
191.07005	0.3
191.10690	1.7
197.04349	0.3
201.09093	7.8
203.10680	0.7
207.10196	1.6
208.28871	0.3
219.10149	100.0
220.10504	1.1
221.11684	0.4
225.11203	0.6
226.36115	0.3
231.10072	0.6
237.11189	2.5
239.05579	0.4
249.11186	5.8
249.13533	0.5
281.06500	1.7
297.11169	0.3
299.07605	2.6
315.12134	0.9
424.65906	0.3
539.41461	0.4
540.26428	0.6
540.42072	0.4
541.15192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03431	0.5
61.02932	0.4
63.32649	0.2
69.03429	1.0
69.53504	0.7
69.53877	0.4
73.02907	0.3
81.03418	0.7
85.02908	4.3
91.05469	0.4
97.02911	1.5
97.03458	0.3
105.07037	0.2
109.02901	0.4
115.05466	0.7
117.06985	0.3
127.03901	0.6
128.06212	0.7
129.06999	3.7
131.04930	0.5
131.07663	0.4
131.08572	5.0
137.05965	1.3
141.06989	3.3
143.04929	0.3
143.08568	0.5
144.05666	0.4
145.04973	0.7
145.06493	0.6
148.05286	0.3
151.07533	0.2
157.06483	3.4
158.07237	1.6
159.08061	5.0
160.05153	0.7
161.09576	0.5
162.07678	0.5
163.07544	0.5
169.06456	2.2
169.07678	0.4
170.07224	1.0
171.08083	0.3
173.09569	0.3
174.06758	10.2
175.07541	2.0
180.08604	1.1
186.06760	2.3
187.07518	0.3
187.32378	0.2
188.08284	0.6
189.09105	22.6
190.09531	0.3
191.10652	2.0
201.09102	7.1
207.10196	0.8
215.05386	0.2
219.10158	100.0
220.10506	1.9
237.11250	1.3
276.93854	0.3
328.32819	0.2
381.15567	0.4
427.91971	0.3
497.16287	0.6
541.15247	1.3
554.11542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66758	0.2
56.65861	0.2
57.03426	0.3
60.04515	0.2
60.37418	0.2
61.02929	0.6
62.49427	0.2
64.06665	0.2
69.03421	0.9
69.61681	0.8
71.54407	0.2
73.02905	0.3
81.03407	0.4
85.02904	4.1
87.04461	0.3
91.05470	0.6
96.38641	0.2
97.02868	1.4
105.07034	0.2
107.04972	0.2
109.02857	0.5
112.14173	0.2
115.05452	0.6
127.03911	0.5
128.06207	0.8
128.78583	0.2
129.06094	0.3
129.07002	4.8
130.07747	0.2
131.04921	0.6
131.08560	5.0
135.11668	0.2
137.05983	1.3
141.06987	4.1
143.04927	0.4
143.08536	0.3
144.05623	0.4
144.06645	0.3
145.04974	0.8
145.06471	0.4
148.05139	0.3
149.05945	0.3
157.06482	4.1
158.07277	1.8
159.08037	5.7
160.05220	0.5
161.09608	0.5
162.07663	1.0
163.07518	0.5
168.05754	0.2
169.06456	2.1
169.07713	0.3
170.07265	1.0
171.08000	0.5
174.06749	10.0
175.07535	2.4
180.08615	0.8
181.08588	0.4
181.12209	0.3
186.06726	2.6
187.07472	0.3
188.08328	0.4
189.09096	21.3
190.09418	0.5
191.06931	0.4
191.10634	1.5
197.08069	0.5
201.09100	7.8
207.10110	0.6
209.08072	0.2
219.10147	100.0
220.10547	1.9
237.11168	1.6
251.88405	0.2
325.70996	0.2
386.17862	0.2
481.59515	0.2
497.16376	0.4
541.15320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23092	0.3
55.01878	0.5
64.64478	0.3
69.03427	0.8
71.04974	0.4
79.05519	0.5
81.03405	0.8
81.07079	0.4
83.95477	0.4
85.02908	2.9
91.05466	3.1
93.07020	0.5
94.04169	0.5
95.04974	1.0
97.02882	0.7
103.05460	6.0
105.07032	1.0
107.04939	0.7
108.20469	0.4
109.06521	0.7
111.04425	0.4
115.05429	0.5
116.06173	0.4
117.07023	2.0
119.04190	0.4
119.04925	2.5
121.06467	0.9
121.10119	0.6
122.03645	1.7
123.08053	0.5
128.06242	0.6
129.06984	1.6
131.04916	14.5
131.08531	0.6
135.08089	0.9
137.02365	5.8
137.05969	23.7
138.06374	0.5
141.07047	0.4
143.08519	1.0
145.06477	0.8
146.14973	0.4
147.08133	0.5
149.05969	2.1
151.03935	0.8
151.07538	15.0
155.08459	0.5
157.06474	1.4
161.05951	3.2
161.09657	0.5
162.06778	1.9
163.07536	38.0
164.07845	0.6
165.09189	0.7
166.07655	0.3
167.08549	1.3
171.08031	0.4
174.06697	0.7
175.07561	4.0
177.09099	100.0
178.09413	1.3
179.08572	0.6
185.20743	0.4
187.07585	0.5
189.09097	5.0
193.06512	0.7
194.07280	0.4
195.08136	2.5
195.10168	2.0
197.04474	0.5
201.09085	0.6
203.10611	0.8
207.10194	0.7
212.08276	0.5
213.08832	0.4
215.10500	0.5
219.10194	1.5
221.05931	0.9
221.09781	1.0
221.11711	18.7
223.07527	1.0
225.09004	1.1
227.10652	4.1
237.09074	0.5
239.05284	0.5
239.10435	0.4
253.08537	1.5
253.12308	1.6
254.80423	0.4
255.10164	3.0
265.08533	0.4
267.10178	0.8
269.08047	0.6
281.11566	0.8
284.10727	0.4
284.92712	0.4
285.11188	2.6
287.12775	6.2
293.11539	0.6
297.11041	0.4
299.12683	1.2
311.12784	2.0
313.14285	4.7
315.12256	0.8
331.15381	19.8
332.15601	0.5
343.15332	1.9
355.15405	0.7
540.20831	1.1
541.22046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21201	0.7
55.01887	0.7
64.80857	0.8
69.03427	1.3
70.01833	1.4
70.02213	1.7
85.02898	2.2
91.05485	2.6
93.07043	0.8
95.04956	1.1
97.02861	0.8
103.05469	6.3
105.03405	1.9
107.08580	0.9
115.05516	0.8
116.41017	0.8
117.07010	1.5
119.04952	2.1
122.03619	1.4
123.08044	0.8
127.04025	1.0
131.04924	13.9
137.05980	23.5
145.06461	0.9
149.05959	1.8
151.07542	15.6
161.06003	2.7
162.06781	2.1
163.07545	41.0
167.08543	1.0
169.58177	0.8
175.07582	3.1
177.09106	100.0
178.09422	1.8
181.05112	1.1
189.09117	3.5
191.14308	1.8
191.49168	0.8
195.08058	1.1
195.10175	2.3
221.05946	1.3
221.09830	1.0
221.11729	19.1
223.07593	1.6
225.09039	0.9
227.10658	3.6
237.10490	0.8
250.10786	0.8
251.11781	2.6
253.09274	1.3
253.12131	1.3
255.10207	4.4
265.09607	1.3
278.10419	1.4
279.11279	3.5
285.11203	3.1
287.12881	5.9
292.63263	0.8
293.09189	1.2
293.12570	1.3
299.12567	1.1
309.12207	1.0
312.10944	1.5
313.14310	6.0
325.11746	1.8
327.13443	6.9
331.15393	24.1
332.15854	0.7
332.64029	0.7
337.11890	0.9
339.13400	12.7
343.15451	1.8
353.11273	1.9
367.12805	10.2
378.53784	1.0
385.13855	1.3
399.15500	1.8
508.20834	15.1
540.23889	4.7
541.18811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07568	0.3
50.50223	0.4
57.20864	0.3
57.61401	0.3
58.06583	1.2
63.02370	0.7
63.71441	0.3
67.55429	0.3
69.17362	2.1
69.17756	0.7
72.04517	0.7
72.08145	1.5
77.03870	0.4
78.04680	0.3
84.08131	0.7
89.03921	7.4
96.88462	0.4
99.24654	0.3
100.37109	0.4
106.04182	0.4
112.11219	1.4
113.10761	1.2
114.09166	4.5
117.03379	24.2
119.04900	0.4
131.11751	0.3
134.03625	1.5
135.04402	0.8
145.02847	66.3
146.03191	0.9
148.43910	0.3
149.04840	0.7
149.05972	7.9
155.11806	1.6
163.03848	0.5
170.16539	0.7
171.14917	4.5
172.14522	0.5
176.07051	0.4
177.05469	100.0
178.05827	1.0
186.05533	0.8
188.17584	10.8
214.15549	1.7
218.10352	0.4
233.12833	2.3
234.11253	36.9
235.11606	0.5
305.18625	0.8
319.21396	0.4
331.18842	0.5
346.21255	29.7
347.19177	2.1
364.22296	70.6
365.22733	2.7
524.10071	0.4
540.27209	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	540.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	1.1
69.88794	1.2
72.04523	0.8
72.08148	1.4
78.04657	0.5
84.08134	1.1
89.03906	7.4
98.23357	0.8
105.04542	0.5
106.04131	0.5
112.11195	1.5
112.11919	0.4
113.10752	1.2
114.09163	5.5
117.03375	23.5
131.11740	0.6
134.03645	1.5
135.04395	1.8
137.05928	0.7
145.02841	69.7
146.03235	1.0
147.04265	0.6
149.05959	7.5
155.11772	2.2
162.02979	0.5
163.03752	0.7
171.14917	5.0
177.05460	98.6
178.05798	1.4
186.05446	0.8
188.17572	14.5
214.15457	1.4
233.12810	1.4
234.11244	48.8
235.11705	0.7
261.37534	0.5
305.18530	0.7
318.37152	0.5
331.18600	0.5
346.21231	21.6
347.19644	1.3
364.22278	100.0
365.22501	2.3
444.85181	0.5
540.27069	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.9
69.47498	1.4
69.94890	0.3
70.06610	0.4
72.04519	0.4
72.08147	1.7
82.39794	0.3
83.94006	0.3
84.08139	0.8
89.03915	8.6
89.04459	0.6
95.82389	0.3
100.07572	0.4
106.04192	0.9
112.11251	1.6
113.10765	1.0
114.09166	5.4
117.03374	23.9
131.11787	0.8
134.03624	1.3
135.04454	1.6
137.05968	0.8
145.02838	65.5
146.03174	0.9
149.05975	7.7
151.03917	0.3
155.11772	1.3
157.84929	0.3
163.03880	0.7
166.14526	0.3
170.16521	0.7
171.14923	5.5
172.14572	0.3
176.07033	0.4
177.05458	100.0
178.05769	1.9
186.05611	0.8
188.17574	15.6
214.15443	1.4
218.10526	0.8
233.12817	2.0
234.11237	46.6
235.11609	1.1
305.18509	0.8
331.18954	0.6
346.21231	18.2
347.19397	2.4
364.22281	82.2
365.22641	2.3
540.27545	1.8
541.22205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09377	1.8
57.06810	1.6
57.07071	7.3
67.05497	11.2
69.15764	12.0
70.06596	4.0
71.08627	1.9
72.81702	2.1
79.05480	6.2
81.07060	8.4
83.01342	7.0
83.08617	2.4
85.10184	2.9
88.07626	6.7
89.06010	2.3
91.05473	5.7
93.07063	4.2
95.04943	2.7
95.08607	8.2
102.09187	4.6
105.07028	2.5
107.04982	3.4
107.08605	3.5
109.06519	4.1
109.10180	2.6
117.06992	2.9
121.06496	6.8
121.10130	5.5
123.08064	2.8
124.05206	4.9
125.05984	4.6
131.08575	3.5
135.08028	4.0
137.05984	61.0
137.73743	2.1
139.06454	2.9
139.07541	56.9
147.08046	4.7
149.09639	6.8
151.07518	26.3
153.05450	4.6
159.08075	3.8
161.09651	2.0
163.07550	37.8
167.07042	100.0
173.09589	2.8
175.07567	10.1
177.09109	98.2
187.07562	5.3
189.09105	9.6
191.10683	37.6
193.08620	6.6
203.10687	14.0
205.12241	6.6
207.10255	5.0
215.10611	3.0
217.12215	22.1
221.11795	2.8
231.13760	7.7
256.26389	16.4
283.26309	3.8
311.29327	16.4
341.24429	2.2
463.28470	6.8
495.31015	26.3
540.53534	40.5
541.33582	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	540.9885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.1
59.67258	0.3
61.43991	0.3
70.49539	0.5
70.49873	0.5
71.95241	0.5
73.84312	0.3
98.11815	0.3
98.23375	0.4
98.97578	73.3
99.97878	0.3
102.60857	0.3
116.98620	38.3
130.93350	0.5
134.99652	11.2
140.00172	0.5
153.00629	0.7
154.93346	0.5
169.17390	0.3
172.94376	2.5
190.95387	2.5
208.96468	1.0
214.95375	3.7
232.96454	6.7
232.98753	0.6
240.98811	1.0
250.97566	2.7
256.96420	16.9
258.99771	7.2
259.99857	0.5
272.94589	0.4
274.97498	100.0
275.97888	1.4
277.00803	8.4
278.00937	0.4
290.95480	0.4
292.98553	51.4
293.98767	0.6
297.99088	2.1
305.93356	0.3
310.99567	0.6
314.95456	0.6
316.00046	0.7
316.98865	0.8
382.99655	0.6
398.97586	23.4
399.98041	0.8
401.01068	2.2
416.98660	46.7
417.98895	1.6
432.96707	0.6
434.94162	0.6
434.99747	7.1
440.00314	1.1
456.96780	0.8
457.96295	0.4
540.98792	13.8
541.98810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03392	0.3
80.74319	0.3
81.07027	0.4
84.91193	1.9
115.09789	0.3
145.02843	0.4
162.39609	0.3
183.19859	0.4
185.04263	0.4
191.10649	0.4
199.56363	0.3
279.62888	0.3
347.09479	3.8
379.17224	0.6
497.22009	0.5
526.64459	0.3
541.22510	100.0
542.22925	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	541.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86354	0.3
69.27277	1.3
73.60467	0.3
91.05486	0.8
98.23425	0.6
98.97610	0.4
121.06507	0.9
137.05966	0.4
139.03888	0.3
151.07535	8.1
172.85083	0.3
176.56987	0.3
177.05531	0.6
186.76042	0.4
191.10721	0.7
207.13794	0.6
275.07495	0.6
333.08026	0.4
335.09442	4.3
365.22861	0.5
365.62820	0.3
409.18393	0.7
482.35461	0.3
523.21167	0.5
541.22504	100.0
541.29028	3.7
542.22864	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	541.3139
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
57.07066	0.9
67.05514	0.5
69.07075	0.3
69.16859	1.2
72.42436	0.2
75.60928	0.2
79.05476	0.4
81.07047	0.8
83.01086	0.6
83.08613	0.3
83.10820	0.2
87.70785	0.2
87.83411	0.2
88.50970	0.2
90.51392	0.2
91.05479	1.3
93.07045	1.3
95.08595	0.8
98.22902	0.9
105.07037	0.8
106.60324	0.2
107.08609	0.7
109.10145	0.5
117.07018	0.7
119.08567	1.1
121.10150	1.1
124.93684	0.2
129.07024	0.7
131.08521	1.0
133.10153	0.7
135.11722	0.4
137.05948	0.3
139.07489	0.3
141.06990	0.5
143.08586	1.1
145.10114	1.0
147.11702	0.4
151.07623	0.2
153.07002	0.4
155.08546	1.0
157.10147	0.9
159.11806	0.5
163.07509	0.2
165.06984	0.5
166.07741	0.3
167.07143	0.4
167.08591	1.2
168.09354	0.3
169.10143	0.7
171.11703	0.8
173.13234	0.6
177.09181	0.3
179.08583	0.4
180.09392	0.4
181.08591	0.5
181.10115	3.6
181.11690	0.2
183.11697	1.0
185.13292	0.8
189.12804	0.2
194.10933	0.4
195.11694	2.1
197.13307	0.6
199.14801	0.5
203.65570	0.2
207.11845	0.3
208.12506	0.4
209.13286	1.4
211.14738	0.4
213.16368	0.3
223.14781	1.4
227.14331	0.5
235.73813	0.2
237.16367	0.4
239.17963	0.5
241.19447	0.4
255.21074	0.4
256.26373	0.3
265.19547	1.5
283.20663	0.7
305.18808	0.2
311.29352	0.3
365.20804	2.7
425.22903	6.6
426.23315	0.3
458.26221	0.2
481.29190	3.2
540.53735	1.0
541.31342	100.0
542.31647	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	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42753	0.5
69.43130	0.6
70.06583	0.3
71.08649	0.3
81.07074	0.4
88.07624	0.7
91.05484	0.3
102.09170	0.5
144.72527	0.3
153.05486	0.3
167.30313	0.2
168.04173	0.4
169.05006	0.4
173.82448	0.2
185.04259	0.5
200.18491	0.2
226.09279	0.2
256.26419	0.7
311.29449	0.9
378.27579	0.3
540.53162	1.6
541.33459	100.0
542.03870	0.3
542.33661	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	541.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53234	0.4
56.29319	0.4
57.07053	0.7
61.57080	0.4
63.63642	0.3
67.05466	0.7
69.19961	0.9
69.20359	1.6
78.33916	0.4
81.07065	0.6
88.07647	0.6
98.22759	1.2
98.23444	0.8
99.97516	0.4
102.09203	0.5
123.04492	0.5
137.06033	1.0
139.07576	1.2
151.07565	1.0
167.07057	1.8
168.07474	0.5
175.07547	0.5
177.09149	0.8
186.57486	0.4
203.05348	0.6
256.26501	0.7
259.08023	0.5
311.29480	1.2
312.29910	0.7
420.39273	0.4
456.27939	0.4
504.77704	0.5
540.53326	2.7
541.33490	100.0
541.53973	2.2
542.33795	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	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24077	0.7
56.19609	0.6
65.03922	0.8
67.04977	0.6
69.03445	1.3
69.28088	1.9
69.28478	1.8
72.89880	0.7
73.94455	0.7
79.05489	1.5
79.52306	0.7
81.03362	0.9
81.98409	0.7
85.02896	3.8
91.05481	1.4
93.73611	0.6
94.04189	1.4
97.02888	0.9
103.05463	3.9
105.07014	3.5
109.06519	1.4
110.04124	0.7
120.31214	0.8
121.06493	3.1
122.03650	6.1
128.06229	0.8
131.04929	8.9
133.06485	15.9
135.08025	5.1
137.05971	100.0
138.06329	1.2
143.08571	1.3
145.06471	3.2
147.08034	1.6
149.05988	2.0
151.07541	6.5
157.06508	1.6
163.07538	29.1
169.20088	0.8
171.08061	1.8
175.07533	2.5
177.09131	1.2
189.09108	2.8
203.10703	4.2
209.43376	0.7
221.11574	1.2
263.10623	1.7
295.13303	19.9
327.15891	31.2
328.16223	1.5
330.89474	0.8
345.16968	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	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27193	1.3
53.03943	3.0
55.05513	2.4
57.03432	4.4
65.49425	1.2
67.05502	2.6
69.03423	11.4
69.43987	6.2
75.04501	5.5
75.62994	1.2
75.68607	1.2
77.85557	1.4
79.05486	19.4
80.04327	1.6
80.22306	1.2
81.03429	10.2
81.07060	5.0
83.04967	2.2
85.02905	5.5
91.05476	14.9
93.07040	86.7
95.04966	4.9
95.08595	2.4
97.02900	5.3
98.23445	2.6
99.04462	3.5
105.04500	1.3
105.07027	9.2
107.08598	16.6
109.02883	4.2
109.10133	2.2
111.08120	6.4
117.07025	2.0
119.08571	16.4
121.10139	100.0
123.08051	2.4
127.03925	4.9
131.08592	5.8
133.07597	1.7
137.05978	11.0
139.11200	4.2
145.02867	1.6
145.04984	1.9
149.09616	23.2
151.07550	4.3
161.05989	4.6
161.09737	1.5
163.07527	4.1
163.11163	1.8
167.10661	31.8
171.08028	1.4
177.05405	3.6
178.05809	3.2
179.07045	35.4
191.07022	35.3
197.08157	3.6
199.07607	1.6
203.07025	6.6
209.08084	14.1
209.11638	3.0
221.08081	3.1
229.08612	1.4
231.10231	1.4
233.08098	1.6
245.08096	2.6
247.09848	2.0
249.11147	2.0
251.12909	1.9
259.70453	1.2
263.09149	2.3
275.12735	2.5
287.09149	11.4
293.01724	1.3
293.13794	6.4
305.10092	2.1
311.14859	18.0
327.15863	1.6
345.16977	14.0
357.16837	1.8
366.22839	2.0
453.18936	2.6
489.21161	1.7
542.22241	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	542.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88425	0.6
66.99380	0.6
69.03452	0.8
79.05464	1.3
81.07058	1.7
85.02905	4.1
91.05476	1.1
94.04181	1.7
96.20478	0.6
97.02936	0.8
103.05463	5.8
105.07026	3.2
107.04910	0.9
109.06566	0.8
117.07006	0.8
121.06486	2.6
122.03649	5.3
123.07991	0.7
123.11710	2.8
131.04938	8.7
133.06483	16.6
135.08051	6.1
137.05975	100.0
138.06345	1.2
143.08633	0.9
145.04951	1.5
145.06491	3.8
147.08076	0.8
149.05963	1.1
151.07549	6.0
157.06561	0.7
163.07545	26.2
165.12723	1.6
171.08063	1.9
175.07550	2.4
177.09082	1.2
183.13786	1.3
184.33290	0.8
187.07559	0.8
189.09102	2.7
203.10696	4.6
221.11818	0.9
235.11269	1.2
263.10632	1.2
295.13275	13.9
295.16382	1.2
327.11932	1.3
327.15887	26.1
328.16339	0.7
345.16913	1.9
351.88855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.9
57.03428	6.6
67.05495	3.1
68.70058	1.7
68.90298	1.9
69.03427	11.6
69.22871	10.6
75.04467	7.6
76.12550	1.9
79.05486	19.4
81.03408	8.5
81.07039	8.1
84.96735	1.8
85.02885	7.7
90.56789	2.2
91.05466	13.7
93.07041	100.0
95.04968	7.0
95.08591	6.1
97.02886	7.0
105.07025	9.7
107.08567	16.1
109.02844	2.9
109.10151	2.4
111.08031	4.0
119.08565	13.9
121.10137	99.9
122.66586	2.3
123.04412	5.3
123.08051	2.6
123.11641	3.4
127.03947	4.6
131.08559	4.9
135.07996	2.4
137.05943	3.4
139.11151	3.4
149.09612	24.0
151.03940	3.0
161.05977	3.0
161.09697	2.2
163.07516	3.4
167.10669	32.3
167.37665	1.8
171.08054	2.1
175.07565	2.2
177.09242	1.9
178.02344	1.7
179.07050	19.8
191.07021	26.7
203.06981	12.9
209.08098	6.2
215.07039	20.5
217.08464	3.3
221.08049	5.8
229.08553	3.4
231.10042	3.9
233.08038	8.4
235.23383	2.6
245.08005	2.1
251.12825	2.0
255.10136	3.6
257.08014	4.7
263.09143	3.1
273.11215	2.1
275.09189	4.0
287.09256	5.6
293.13739	6.5
297.11176	2.4
299.08978	2.2
305.10138	2.1
311.14816	13.7
317.10434	2.2
327.15836	2.2
345.16901	5.6
351.16040	5.8
369.16913	4.7
393.16791	2.8
411.18018	3.0
453.18811	3.3
519.96124	2.5
542.21014	7.7
542.30084	2.9
543.31323	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	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46568	1.2
55.01881	1.8
55.05508	2.0
57.03439	7.5
67.05493	2.5
69.03419	4.4
69.99508	1.3
73.75388	1.2
74.45313	1.3
75.04475	4.7
79.05490	15.3
81.03400	1.5
81.07053	3.8
81.36607	1.4
85.02915	8.8
91.05469	14.2
93.07041	89.3
95.04958	5.7
95.08575	2.2
97.02866	1.9
103.03943	6.1
105.04490	2.4
105.07033	9.2
107.08574	11.7
109.02864	2.1
109.10161	1.7
111.08067	2.5
113.47163	1.6
119.08590	7.7
121.06488	1.8
121.10142	100.0
122.10444	1.4
123.08054	1.5
131.08560	5.1
133.10132	1.6
135.08066	3.2
137.05968	4.5
139.11169	2.1
147.07961	2.6
149.09607	25.6
151.07539	2.5
153.05415	1.6
159.08058	1.9
160.05148	1.3
161.05980	26.3
163.07498	2.8
167.10658	16.8
171.08083	2.7
171.11713	1.8
175.07509	9.4
179.07042	20.8
187.07562	2.4
189.09129	2.6
191.07011	19.8
193.08641	1.9
197.08084	3.1
198.06689	1.7
199.07532	10.7
201.05486	1.8
203.06998	30.1
209.04512	1.4
209.08101	10.7
209.11682	11.0
213.09064	3.7
213.12724	3.4
215.07039	4.5
217.08549	6.2
221.08090	18.5
227.07074	6.4
229.08510	1.8
233.08086	4.4
241.08594	4.4
245.08052	8.0
251.12799	7.9
251.15080	1.3
259.09683	4.2
263.09128	7.0
269.08066	4.7
271.09720	1.7
275.09122	1.5
287.09146	47.1
305.10205	9.6
311.14835	4.5
327.15765	1.9
341.17328	1.9
345.16733	10.1
369.16827	1.6
405.75299	1.3
453.18933	6.3
471.20035	2.4
489.21365	1.9
542.21948	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	542.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05632	0.8
54.56736	0.7
57.07080	7.7
58.06595	1.9
67.05495	1.4
69.07072	1.1
70.06592	19.1
71.08648	1.0
81.07058	1.4
85.10191	1.0
88.07630	22.2
93.07036	1.3
94.68629	0.8
95.04983	1.3
99.50623	0.8
102.09184	15.7
105.03399	13.9
131.17488	0.8
149.02356	11.8
149.05983	60.6
150.06415	0.8
181.06525	1.7
185.70840	0.8
193.04968	9.6
193.06590	0.9
194.65498	0.9
219.06404	1.3
228.23230	51.2
229.23634	1.0
297.07581	15.6
341.10196	52.7
342.10739	1.6
373.48596	1.0
403.13983	0.8
409.04794	1.0
542.31140	100.0
543.31329	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	542.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12527	0.1
56.05030	0.7
56.54532	0.1
58.06634	0.5
59.07381	0.1
60.08162	6.3
63.41938	0.1
67.05502	0.4
69.59710	0.5
70.06573	0.2
71.07373	2.9
72.71670	0.1
79.05496	0.3
81.07039	0.2
86.09702	30.4
87.10027	0.2
87.35906	0.1
88.07597	0.2
91.05484	0.3
93.07079	0.3
95.08636	0.1
98.98457	3.2
104.10738	3.0
105.07014	0.1
117.07036	0.1
119.08512	0.2
121.82180	0.1
124.99998	22.1
126.00336	0.2
127.28230	0.1
143.00972	0.2
149.05965	0.4
176.52544	0.2
184.07332	100.0
185.07739	0.8
228.23242	0.4
230.80168	0.1
258.10983	0.2
295.37610	0.1
341.10150	0.3
524.31244	0.9
539.52173	0.1
542.32257	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	542.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.4
57.07073	1.7
67.05505	14.2
69.07073	3.1
69.68024	5.6
75.98461	1.2
77.21489	1.2
79.05486	7.1
81.07059	13.7
83.08636	1.7
91.05484	4.4
93.07059	4.2
95.04954	2.2
95.08600	12.9
97.10126	1.2
98.22797	1.9
99.33186	1.2
105.07034	2.7
107.08626	4.0
109.10149	5.1
113.67432	1.2
119.08596	1.2
121.06530	1.5
121.10154	2.6
123.04456	2.8
125.05999	8.5
133.06511	2.7
137.06015	7.6
139.03864	2.1
139.07555	4.4
143.08592	1.5
147.08066	1.8
151.07610	1.8
153.05452	13.4
163.07573	2.4
167.07065	8.5
169.08522	1.5
173.05968	1.3
175.07550	3.0
177.05486	5.7
177.09129	2.3
179.07072	2.6
187.03864	1.8
189.09164	1.7
191.06915	1.7
191.10724	1.6
193.08621	2.1
197.05975	1.6
199.07635	3.3
201.05528	2.0
205.08649	1.6
207.08037	1.2
211.07555	2.4
213.05467	4.0
213.09068	2.1
215.07069	1.5
217.08638	1.4
225.09140	1.3
226.06102	3.0
227.06927	8.1
227.10715	1.7
228.07799	3.5
229.04982	3.6
229.08736	2.3
230.05717	1.7
231.06607	3.0
237.08957	1.4
239.07004	3.1
240.07745	1.9
241.04982	3.5
241.08600	8.3
242.05725	2.3
242.09363	1.7
243.06429	7.7
244.07326	3.2
245.04489	4.0
245.07961	6.6
251.07280	1.6
253.08669	3.6
254.05746	2.3
255.06503	11.8
255.10257	1.7
256.07364	4.6
257.04517	2.5
257.08081	8.9
258.05222	4.3
258.08755	3.3
259.06021	25.1
259.09164	2.6
260.06775	6.5
263.10730	1.4
267.06473	4.1
267.10059	2.1
268.07654	1.2
269.08075	7.6
271.06146	3.2
271.09705	4.4
272.06729	7.3
273.07550	23.3
274.08334	25.3
275.05496	3.3
275.08704	1.2
276.06403	2.2
283.09601	2.5
284.10364	2.2
285.07602	3.2
286.08401	2.2
287.09097	20.4
289.07129	8.0
290.07968	1.9
291.08533	3.3
295.09573	2.7
297.11160	2.8
299.09094	5.4
301.10797	2.0
303.08652	3.4
305.10172	3.2
315.12390	1.8
344.47922	1.9
447.25143	3.9
448.25958	3.9
451.28348	3.9
461.26819	3.6
464.25650	3.1
465.26212	5.1
466.27222	20.0
469.29538	3.1
479.27945	44.6
482.26654	2.6
497.28983	100.0
498.29099	3.8
541.53662	2.4
542.25476	2.2
542.40985	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	542.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09651	0.7
53.03939	1.2
55.05504	5.7
57.07071	2.7
65.03950	1.0
67.05499	9.7
69.07066	15.5
69.43775	4.0
71.05002	5.2
71.06791	0.7
79.05487	9.9
81.03412	1.5
81.07055	22.0
83.08619	11.9
85.06550	1.6
91.05463	6.5
93.07037	18.5
95.04978	2.0
95.08606	41.6
96.57095	0.8
97.06528	1.1
97.10175	1.9
99.08102	2.7
105.04497	0.9
105.07024	10.6
107.04940	1.2
107.08588	43.6
109.06475	1.2
109.10152	13.7
111.08115	1.3
113.09637	0.9
119.06026	0.9
119.08587	8.9
121.10141	72.3
122.10488	1.2
123.08047	1.6
123.11679	4.0
125.09621	1.3
125.13239	1.3
129.06990	0.9
131.08577	2.3
133.10118	5.5
135.11690	16.4
137.13249	7.9
143.08598	1.3
145.10153	3.0
147.11696	2.6
149.13255	6.7
151.11226	1.0
157.10155	1.6
159.11690	2.8
161.13281	2.2
163.11133	1.9
165.12787	1.1
171.11674	1.8
173.13242	7.6
175.14859	2.9
177.16380	100.0
178.16759	1.1
187.14784	2.0
189.16391	1.1
191.14244	2.1
195.17506	4.4
201.16484	1.6
203.17841	1.0
207.13748	0.9
213.16481	2.2
231.17465	5.1
249.18474	2.5
277.17975	2.8
288.60214	0.9
295.19110	2.7
384.00815	0.8
409.34247	1.2
437.34299	1.1
444.28268	2.0
455.35214	7.2
473.36255	5.2
482.34451	0.9
491.37488	2.2
542.35260	3.7
543.37012	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.07078	34.0
63.68410	1.5
67.53905	1.6
69.07060	2.9
71.08635	24.3
73.06552	8.4
73.27705	1.6
78.58382	1.6
81.07020	1.7
83.08603	1.9
85.10181	22.0
87.04478	5.4
89.06032	100.0
91.05470	1.9
93.07021	2.3
97.10166	3.2
98.22720	4.1
99.11733	4.7
105.07035	2.0
117.09140	5.7
133.08597	52.5
133.09566	2.8
137.05951	2.5
139.07538	14.6
140.07936	1.9
151.07513	1.8
153.05502	3.2
155.17955	3.2
160.16254	1.5
167.07027	20.2
168.07695	1.8
177.09134	1.6
177.09637	2.4
177.11200	24.0
187.56047	1.6
199.20554	2.9
205.12164	1.9
207.10150	2.2
221.13853	5.7
240.23076	2.4
243.23247	11.2
283.17416	1.8
287.25729	10.1
327.20026	3.2
371.18677	1.9
371.22604	9.8
381.10745	1.8
473.55731	1.4
481.37415	2.0
493.29645	1.8
525.39905	14.0
541.54431	1.5
542.31970	2.5
542.42798	2.6
542.54468	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13630	1.2
54.76921	1.3
55.01856	2.3
55.93519	2.8
56.94314	1.8
59.84708	1.2
66.15533	1.4
67.05479	1.8
69.78946	1.2
69.97901	3.7
72.93795	6.6
77.40707	1.4
79.05463	2.2
81.03410	3.4
81.07049	5.4
90.94823	5.1
91.05485	5.7
102.67774	1.6
105.44675	1.5
107.04954	1.5
107.08638	1.4
109.06477	2.7
117.06982	1.9
119.08585	15.2
119.34395	1.2
125.49892	1.2
127.99992	1.6
128.96346	3.2
135.08012	2.3
137.05989	8.8
138.98404	2.5
144.95810	3.4
150.98387	3.0
152.96356	1.6
152.99991	3.3
154.97899	3.4
158.97269	1.7
162.96902	1.6
163.07587	2.8
164.99934	2.2
166.97945	7.6
168.99435	5.0
170.97426	8.4
171.00926	1.9
172.98991	2.2
176.99969	2.1
178.97922	3.3
179.01500	2.1
180.99434	5.2
182.97377	4.2
183.01085	1.5
184.98999	7.8
187.00557	6.8
188.98427	3.2
188.99960	2.8
191.01529	4.2
192.99449	5.7
194.97418	4.0
195.01065	2.8
196.98990	8.6
197.02693	1.9
198.96858	3.0
199.00545	18.3
200.98373	3.0
202.97856	1.8
202.99930	1.9
204.99504	3.9
207.01099	7.9
208.98871	3.1
209.02602	12.4
210.96765	1.8
211.00525	3.8
212.98422	7.1
214.99944	2.8
216.97839	4.6
216.99644	1.9
217.01505	13.5
220.98987	6.9
223.00563	10.8
224.01057	1.8
224.98448	4.8
225.02135	11.5
227.00053	10.6
227.03683	5.4
228.97910	1.7
232.98752	1.6
234.96846	1.8
235.00546	17.0
236.98495	2.4
237.02101	5.6
239.00009	3.3
241.01588	2.4
243.03078	5.1
245.01097	14.4
250.99951	1.4
253.01585	47.6
255.03075	6.0
262.99982	10.9
267.03406	1.5
269.00900	2.3
271.02640	92.3
272.03003	2.0
281.01065	37.1
294.04330	2.4
298.01865	1.9
299.02112	100.0
300.02216	1.9
317.03189	43.2
318.03683	1.9
322.03598	2.6
353.02951	1.5
371.04132	4.5
451.10239	3.8
461.08624	4.8
471.08600	8.7
479.09903	23.0
489.08026	5.3
497.10980	24.1
498.10928	2.0
507.09363	13.3
525.10461	44.9
526.10553	2.8
543.11359	60.7
544.11615	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43985	0.6
65.70934	0.6
129.32664	0.6
138.81424	0.5
149.19788	0.6
170.32683	0.6
215.27965	0.6
229.61964	0.6
262.96078	0.5
267.47961	0.6
363.07101	1.1
381.07950	18.7
488.07544	0.7
543.13226	100.0
544.13586	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	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22582	1.9
73.63452	0.3
75.60374	0.3
82.54143	0.3
95.57256	0.3
99.50463	0.4
111.80201	0.4
117.89720	0.3
128.08609	0.3
136.06241	0.3
266.39163	0.4
363.06937	2.5
381.07950	10.4
543.13239	100.0
544.13721	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	543.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47314	0.5
67.00751	0.5
67.05501	0.5
68.93716	0.5
69.03411	0.7
70.70263	0.8
70.70594	0.5
71.73670	0.4
73.06198	0.4
81.07070	0.8
91.05495	1.5
93.94317	0.5
95.04927	0.5
105.92374	0.6
107.04980	0.4
119.08562	0.6
127.38828	0.5
137.05994	0.7
155.55202	0.5
174.32703	0.5
203.05301	0.9
220.10507	0.6
224.07083	1.0
243.04922	0.6
245.06351	1.7
256.56955	0.5
276.73050	0.5
277.17749	16.0
279.19299	13.2
287.03632	2.5
287.80496	0.6
289.05231	5.0
295.18729	6.3
421.84229	0.5
457.23981	4.1
499.25229	16.7
500.25497	1.2
525.22662	1.2
543.24176	100.0
544.24603	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	543.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66636	0.7
55.05510	0.9
65.03979	0.7
67.05509	1.0
69.03461	1.5
71.05018	1.6
79.05482	0.8
81.03445	1.3
81.07063	2.5
85.02942	2.2
91.05498	1.3
93.07073	2.1
105.07073	1.7
107.08589	1.1
109.02932	1.5
109.10147	1.3
111.04514	0.9
111.08169	0.8
121.10101	0.9
127.03909	0.9
133.10176	0.8
137.02373	1.4
139.03969	2.2
209.04529	0.9
225.14949	1.7
226.21359	0.8
235.16905	1.4
245.06549	1.0
269.69510	0.8
277.17905	2.3
289.05457	1.4
295.18777	6.3
405.44244	0.9
439.23120	2.6
453.77606	0.9
457.24118	8.8
481.24261	0.9
499.25177	32.4
500.25586	1.8
525.22754	1.0
543.24292	100.0
544.24762	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	543.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19688	0.3
56.96548	0.5
59.08485	0.4
61.43124	0.4
67.05502	0.5
69.07058	0.5
71.08614	0.6
71.46607	0.5
79.05460	0.5
81.07085	0.7
85.02886	0.6
91.05495	0.6
92.64176	0.4
93.07051	0.8
95.08633	0.5
97.06580	0.4
105.07053	0.9
109.10162	0.4
127.03914	0.4
133.06577	0.4
139.03920	0.5
145.10278	0.4
146.88887	0.3
167.65665	0.4
183.06868	0.4
183.11491	0.4
187.15019	0.5
201.08034	0.5
245.06367	1.0
251.16226	2.1
277.17685	0.5
288.75491	0.4
295.18634	2.3
331.76340	0.4
337.16620	0.5
381.25946	0.4
430.22339	0.4
439.22971	0.4
457.24213	5.0
499.25113	23.2
500.25400	0.8
511.21188	0.5
543.24072	100.0
543.31488	12.0
544.24390	3.3
544.31885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29514	2.7
51.29770	3.7
56.96554	8.4
67.05518	7.1
71.45000	3.4
73.02892	3.0
76.17150	2.8
79.05495	7.7
81.07057	5.5
83.01369	4.6
84.92505	3.3
91.05478	8.9
93.07023	6.1
95.08598	4.2
98.97578	5.7
105.06974	3.6
107.08536	3.7
109.06523	8.0
110.96281	3.5
116.98602	3.6
121.06489	10.2
123.08105	3.9
124.05205	4.1
131.08521	4.5
135.07994	5.2
137.05966	66.9
138.06725	11.2
139.07509	5.2
147.08018	6.5
149.09691	5.0
151.07542	52.3
152.04715	6.2
153.05441	8.5
153.09067	10.6
154.06229	15.9
158.81039	3.3
159.07982	5.1
161.09657	4.5
162.06749	4.5
163.07532	21.6
166.16850	3.4
167.03392	14.5
167.07054	30.2
169.08607	15.3
175.07523	14.9
177.09087	67.4
181.08580	34.9
182.05696	15.8
189.09129	6.6
191.10670	11.3
193.08600	4.7
197.08076	86.1
207.10196	28.1
221.11618	7.4
232.45695	3.4
239.09100	4.3
361.10791	3.2
374.40005	3.8
391.65036	3.7
433.20721	3.9
437.26785	5.4
451.28101	7.1
469.29410	30.4
483.30927	14.7
501.31946	5.2
542.39514	3.9
543.29248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.07069	1.3
67.05477	1.1
73.37749	0.8
79.05496	1.3
81.02811	0.9
81.07064	1.2
93.07050	1.3
95.08598	1.3
105.07042	1.0
119.82119	1.0
125.05943	1.2
278.37836	1.0
313.30240	1.5
322.88913	1.0
542.54108	5.2
543.34998	100.0
544.35370	2.8
553.16461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
61.02922	1.5
65.03934	1.9
69.03417	2.7
70.47103	2.2
70.47440	1.3
70.69102	1.3
79.05473	2.7
85.02892	6.4
91.05486	9.1
93.07044	2.6
94.04181	2.2
95.04980	4.0
97.02891	4.3
102.04681	5.6
103.05460	6.0
105.04485	1.6
105.07039	7.3
107.04933	3.2
115.05426	1.5
119.04948	11.6
121.02859	1.8
121.06496	16.2
122.03637	4.2
125.05972	2.2
127.03874	1.7
130.04126	7.0
131.04945	6.5
133.06502	9.0
134.03613	3.8
135.04433	6.8
137.05974	100.0
147.04391	21.3
149.05969	16.3
150.06763	12.5
151.03906	14.1
151.05019	2.4
151.07483	2.3
153.07022	2.3
161.05988	31.8
162.06764	41.5
163.03877	4.0
163.07564	7.4
164.04698	1.7
164.08319	1.7
165.05516	3.3
169.04962	1.6
175.03943	2.1
177.05440	3.0
178.02649	3.5
179.06998	8.3
181.04965	3.1
181.06493	4.3
193.04945	18.0
210.06738	1.4
211.07545	3.3
215.58363	1.5
223.05994	4.8
225.05450	1.4
228.78934	1.9
239.06903	1.5
241.05038	1.6
241.08505	1.7
261.07574	1.8
297.07578	26.4
299.09103	20.1
306.86856	1.4
317.10141	19.8
329.10187	40.3
330.10748	1.5
347.11221	6.4
509.47458	1.6
544.17065	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	544.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78654	0.4
50.87785	0.4
50.95021	0.4
51.02382	0.6
53.00363	0.4
57.03413	0.6
61.02922	0.8
65.03945	0.6
67.05499	0.8
69.03432	4.8
69.54939	1.7
69.55352	1.1
77.03929	0.8
79.05502	2.6
81.03408	1.7
81.07048	0.6
81.33334	0.5
85.02910	9.3
91.05465	4.5
91.37209	0.5
92.85121	0.5
93.07033	1.3
94.04172	0.9
95.04959	4.9
97.02903	4.5
98.23403	0.6
99.04464	0.8
102.04678	4.6
103.05467	25.7
105.04539	1.1
105.07054	4.7
107.04951	6.0
107.08639	0.4
109.02886	0.7
109.06582	0.6
111.04409	0.9
115.05460	1.2
119.04933	4.6
121.02852	1.7
121.06524	5.4
122.03622	2.7
123.04476	1.2
124.05220	0.5
125.02360	0.9
125.05997	1.1
125.78503	0.5
127.03880	2.6
130.04208	3.0
130.05017	0.6
131.04930	50.4
133.02856	1.4
133.06485	3.6
135.04405	2.4
135.08037	2.6
137.05980	52.4
139.03865	1.3
145.04945	2.2
147.04398	10.3
148.05185	1.5
149.02296	0.6
149.05986	7.5
150.06779	3.3
151.03925	8.9
151.05016	1.0
151.07565	1.3
152.04721	0.5
153.06975	1.1
161.05971	9.6
162.06767	12.0
163.07541	100.0
164.08342	10.0
165.05470	4.8
165.06834	1.1
167.03448	1.0
169.04980	0.8
175.04002	0.8
175.07573	0.6
177.05473	2.2
178.02591	1.3
179.07040	5.4
181.04958	7.6
181.06390	0.8
181.08620	0.6
182.07230	1.2
187.38028	0.5
189.05507	1.3
191.07045	1.0
193.04939	4.2
193.06480	0.8
196.05217	0.5
203.06926	1.2
205.04999	1.1
207.06517	11.7
209.06032	0.5
210.06822	0.8
211.07602	0.7
213.09143	0.7
215.07059	0.9
218.64514	0.5
221.06093	0.9
223.05978	1.9
225.05530	0.6
225.09073	1.0
228.74673	0.5
238.06114	0.6
253.08487	1.1
259.05981	0.6
261.07773	0.8
275.09198	1.0
283.09650	0.9
297.07571	26.6
299.09091	4.8
305.10117	0.8
311.09329	0.8
313.10715	3.9
317.10074	2.0
323.11206	1.0
329.10199	13.5
331.11810	3.8
341.12393	1.0
347.11270	11.6
509.16016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
57.03232	0.5
57.03440	6.1
59.04986	2.0
60.85129	0.6
61.02905	1.0
67.79576	0.6
69.03428	20.9
69.03800	1.3
71.43820	0.6
73.02900	1.7
73.98125	0.6
75.04456	0.9
81.03416	0.9
81.07050	1.8
85.02403	1.1
85.02898	16.6
87.04462	13.3
93.07041	0.9
95.08593	4.3
97.02887	17.1
97.06534	0.8
100.11189	0.6
101.02389	0.8
105.07027	24.8
108.68486	0.7
115.03925	24.9
117.07000	0.7
119.04881	1.2
119.08578	7.9
121.06500	1.7
123.08051	0.7
127.03902	2.5
129.07008	1.1
131.08565	10.9
133.04962	23.3
141.06940	0.9
142.07761	1.2
143.08551	13.2
145.04915	3.0
145.10129	2.8
155.08537	13.4
156.09340	3.6
157.10106	13.1
159.08052	2.1
159.11630	4.8
167.08545	1.2
169.04919	0.8
169.10078	6.7
171.11688	16.7
173.09612	1.5
182.10884	5.6
185.13245	10.9
187.11172	1.7
187.14804	11.2
197.13249	37.3
198.13551	0.9
215.14302	30.4
216.14554	1.0
221.06950	0.6
223.06026	0.9
233.15349	100.0
234.15683	2.2
241.07111	1.0
259.08136	1.9
277.09134	1.3
295.10037	1.4
481.51971	0.7
544.23334	1.6
544.31323	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	544.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65333	2.2
55.05509	3.3
58.81431	2.1
67.05500	6.4
69.07069	7.4
74.09716	4.6
76.43333	2.3
79.05486	6.2
81.07052	6.0
83.08627	2.4
91.05465	3.7
93.07058	4.1
95.04965	3.2
95.08613	8.2
97.06536	4.8
103.05444	2.6
103.42538	2.4
107.04937	4.5
107.08566	3.5
108.00323	2.6
109.06544	4.8
109.10164	4.3
115.05534	2.5
121.06517	6.5
123.04401	8.9
125.05987	47.2
130.76865	2.5
135.08031	3.8
137.05983	59.8
139.03888	9.6
139.07535	5.4
149.05945	4.1
151.03894	2.3
151.07608	12.9
152.04684	4.9
153.05469	81.8
163.07535	28.8
165.05605	2.2
167.07112	11.2
175.07521	4.5
177.05478	2.8
177.09117	25.5
179.07054	3.2
189.09171	3.6
191.10736	3.2
203.10672	5.0
217.12128	3.7
241.08710	3.3
257.08087	4.3
259.06055	5.4
269.07849	3.4
271.09778	2.4
273.07642	7.1
274.08374	5.2
283.09604	3.8
287.09149	6.4
341.24609	3.3
347.25687	7.0
359.25577	4.4
375.25290	4.1
431.25909	2.7
449.26825	5.8
463.28369	9.8
467.27756	9.2
468.28729	6.1
481.22592	3.0
481.29529	65.6
499.30566	100.0
500.30920	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	544.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27671	2.1
57.07076	63.0
60.55666	2.2
67.05493	3.0
69.07052	2.8
69.27107	2.2
70.88416	2.5
81.07050	3.4
83.04968	2.5
86.42291	2.2
87.04466	6.7
89.06032	83.6
91.05479	18.7
93.07054	11.2
95.04969	3.2
96.28181	2.5
105.07038	5.8
107.04945	8.3
119.04956	7.3
119.08572	3.7
121.06510	67.9
121.10143	2.7
130.08604	2.5
133.08600	42.1
135.08037	4.6
147.08066	17.5
149.09599	4.6
163.11191	8.2
165.09135	20.4
172.51620	2.6
177.11218	15.5
177.12749	17.4
209.11696	6.4
221.15448	28.1
265.17972	7.4
267.12381	4.2
277.21637	2.9
317.66727	2.4
359.20651	23.0
415.26892	100.0
416.27023	3.1
471.33130	4.3
527.39423	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	544.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	59.4
66.60020	1.0
69.33932	2.1
69.34334	4.4
71.08591	1.1
87.04455	4.3
89.06036	73.3
89.14433	1.0
91.05483	14.9
93.07051	14.0
95.04964	5.2
103.05470	2.7
105.07059	2.2
107.04969	1.9
107.07065	1.5
107.08589	1.5
119.04932	4.4
119.08560	3.0
121.06508	65.4
121.10148	1.3
122.06911	1.1
125.06044	1.2
130.08614	1.8
131.07098	1.3
133.08614	37.9
135.08078	2.7
139.35532	1.2
147.08070	12.8
163.11119	1.4
165.09125	25.0
177.11256	12.6
177.12759	2.6
181.04938	1.3
196.07339	1.8
209.11752	7.5
211.09624	1.2
221.13571	1.8
221.15373	3.5
233.18970	7.3
235.13385	1.0
253.14490	1.9
271.15359	3.8
277.21555	10.9
315.18109	2.2
321.24506	2.3
333.27820	3.5
359.20642	100.0
360.21179	1.3
415.26898	40.4
416.27386	1.4
417.50497	1.1
471.33191	68.6
527.39471	9.2
538.19342	1.1
544.35101	22.1
544.42200	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	545.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69454	0.8
52.09375	0.7
54.67270	0.8
56.96282	1.6
56.96561	25.4
60.92385	0.8
69.85741	1.6
69.86124	1.6
71.13712	0.8
71.49600	0.8
71.95248	0.8
80.15873	0.7
84.95568	1.5
84.96036	18.9
98.23433	1.4
98.97581	94.1
102.97084	1.3
110.97574	13.3
112.99144	9.6
116.98621	35.0
124.99115	12.6
126.97038	1.3
128.98605	13.2
131.00150	8.2
134.99693	6.2
136.99089	0.9
140.00195	1.7
140.98566	4.5
143.00163	29.3
144.98103	5.5
146.99646	6.7
149.01228	3.2
150.29793	0.8
152.98584	1.2
153.00665	0.9
155.00182	2.0
156.98061	1.4
158.99652	54.7
161.01215	26.2
162.99149	3.1
165.00517	0.9
168.98033	1.1
170.99644	8.3
173.01244	3.6
174.99165	1.4
177.00710	43.1
179.00133	3.5
179.02304	4.3
180.80109	0.7
181.08649	1.5
182.99629	3.9
185.01218	17.0
186.99103	1.0
189.00703	16.5
191.00250	1.4
194.99947	0.7
195.01814	2.9
197.01244	5.7
200.02298	2.4
201.00688	21.4
201.02438	1.5
203.02255	16.9
207.01695	5.4
209.01186	6.8
213.00739	1.8
215.02283	2.6
219.01762	58.6
221.03261	1.2
225.00676	0.9
225.02802	1.5
226.03918	0.9
227.00218	1.5
227.02274	16.3
237.02856	10.4
243.01727	5.2
245.03322	15.7
249.02699	1.8
251.02286	3.7
255.01740	0.9
261.02975	1.8
269.03336	3.1
273.02783	1.3
275.04449	1.2
277.92578	0.8
281.03262	2.6
315.03729	1.7
333.04886	33.1
335.04147	1.7
351.05997	23.5
353.05231	1.2
374.07571	3.2
404.14148	0.9
467.08591	15.1
485.09665	100.0
486.10010	2.3
503.10242	1.3
526.12225	1.1
545.18030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1446
Annotation	7,3',4'-Trihydroxyflavan-(3->O->4,4->O->3)-7,3',4'-trihydroxyflavan
Peak:m/z	Relative Intensity
55.05505	0.7
67.05493	1.1
69.07053	0.8
69.11346	1.7
69.11756	1.1
79.05501	1.2
81.07037	1.1
84.00126	0.4
86.09715	0.5
91.05477	1.0
93.07044	0.9
95.08605	0.9
105.07032	0.7
107.08611	0.5
109.90485	0.6
121.10136	0.5
146.98180	1.0
147.60953	0.4
166.32652	0.4
197.03439	0.5
207.99927	0.8
263.43140	0.4
327.06540	0.8
328.16159	0.5
341.04587	0.6
341.20813	0.4
342.05219	0.6
355.06012	1.9
357.07706	0.5
367.06088	1.0
368.06946	0.9
371.05478	1.5
372.06262	0.5
383.05487	4.8
384.06158	0.7
385.07144	1.8
386.08029	0.6
387.05115	2.3
395.05402	1.3
396.06015	0.8
397.07169	0.9
398.08398	1.0
399.08829	2.7
401.06564	13.4
402.06888	0.6
409.07214	0.6
410.08023	0.7
411.04996	1.7
412.05646	0.9
413.06262	3.4
414.07336	5.4
415.08182	10.5
416.08444	0.7
423.05069	0.9
424.06409	0.6
425.06674	1.2
426.07297	4.9
427.08099	8.8
428.08633	2.7
429.05957	4.0
429.10114	2.7
429.74890	0.4
430.06406	4.6
438.07220	1.5
439.08090	1.2
441.10403	3.3
442.10602	0.8
443.07373	0.8
444.08463	5.6
445.09143	7.4
453.09528	1.2
454.06854	0.9
455.07602	2.6
456.08334	5.0
457.05780	1.7
459.10733	19.2
460.11154	1.5
469.09238	0.9
470.10056	3.5
471.10709	7.6
471.16910	0.6
472.07584	4.3
487.10217	10.4
502.12573	3.0
503.12650	0.8
527.37604	0.8
545.14404	100.0
545.37933	1.6
546.14740	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	545.1633
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
57.03434	0.7
59.42560	0.2
69.03419	0.3
69.22442	1.2
71.09466	0.3
73.02917	0.9
77.93636	0.2
79.05495	0.2
81.07059	0.3
85.02919	0.5
91.05482	0.9
93.07047	0.6
95.08579	0.3
105.07036	0.4
107.08629	0.3
118.86940	0.2
119.08576	0.2
121.10171	0.6
123.08099	0.3
137.05968	0.7
139.03897	3.6
139.92218	0.2
147.11708	0.2
160.20876	0.2
163.03934	0.3
163.07677	0.3
181.04987	0.4
185.04239	0.5
209.52736	0.3
215.05379	0.3
229.06844	0.6
244.14752	0.2
251.06790	1.4
289.07037	0.7
317.08438	7.3
413.12131	0.9
437.10593	0.5
545.16266	100.0
545.33276	2.8
546.16693	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	545.1994
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
69.34259	1.3
69.34661	0.9
70.23272	0.4
79.05486	0.5
80.28217	0.4
98.22713	0.7
101.58566	0.4
109.21930	0.4
122.79597	0.4
136.75610	0.4
146.36882	0.4
273.97903	0.4
299.34763	0.5
316.14853	0.4
345.69632	0.4
374.98517	0.4
435.78659	0.4
515.18494	0.9
522.25232	0.4
545.19910	100.0
546.20349	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	545.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01876	0.9
55.05509	1.8
57.52343	0.6
63.52730	0.6
65.03949	1.7
67.05516	4.4
68.99799	1.0
69.07083	1.3
69.88184	1.2
69.88580	1.4
75.04503	0.6
78.04684	0.9
79.05493	4.7
81.07064	3.5
83.08630	0.7
91.05467	4.9
93.07050	1.3
94.04173	0.9
95.04974	5.1
95.08602	2.8
96.05757	1.3
97.10201	0.7
105.04555	0.8
105.07019	1.7
107.04942	4.4
107.08555	0.8
108.05753	1.0
108.59653	0.8
109.02886	2.4
109.06528	2.2
109.10156	0.9
110.03660	0.8
111.08092	0.8
115.05460	1.4
119.04964	0.8
119.08622	0.7
121.06502	3.4
122.03683	0.6
123.04438	15.2
123.08040	1.3
124.05198	3.2
125.06028	3.4
128.98932	0.7
131.08653	0.7
133.06483	3.1
133.10135	0.6
135.04408	2.1
135.08070	1.2
136.05202	2.2
137.05971	7.8
138.06740	1.9
139.07539	13.0
140.04692	4.4
141.05450	3.2
147.04408	1.7
147.08052	2.3
149.09668	1.3
151.03902	8.8
151.07538	8.8
152.04683	100.0
152.08264	2.5
153.05466	10.5
153.09091	1.0
154.06241	1.3
155.07013	3.5
159.07999	1.0
161.05948	3.6
161.09586	1.0
162.06755	2.7
163.07530	6.0
165.05478	1.9
165.09140	3.8
166.06265	18.0
167.03360	3.5
167.07040	88.0
168.04158	0.9
168.07826	7.7
169.04953	13.4
169.08609	1.3
175.07568	2.6
176.08290	2.8
177.05490	0.9
177.09102	16.2
178.06253	0.9
179.07019	2.1
179.10718	2.0
180.07809	1.7
181.04961	49.4
181.08560	23.9
182.05754	9.6
182.09053	0.7
183.06529	7.9
183.10159	1.4
184.07318	26.8
189.09120	1.8
190.09856	0.8
191.10663	6.6
192.07845	0.7
193.08609	18.3
193.10378	0.9
195.06509	1.3
195.10089	3.8
196.07307	90.4
197.08070	10.6
198.08890	8.0
199.09622	8.8
201.08990	0.9
203.10616	1.2
205.08725	0.9
205.12228	1.6
205.69450	0.7
207.10158	22.6
208.10506	0.8
210.08946	1.0
211.09650	76.2
212.10016	1.4
213.11217	1.0
217.12267	0.9
221.11789	4.3
225.11250	2.1
347.25735	3.3
391.28439	1.4
403.75247	0.7
415.77615	0.8
421.27469	0.8
439.29034	0.7
449.26953	0.8
453.28680	0.8
453.64188	0.7
471.31177	2.2
481.29388	4.4
482.30563	0.9
513.25061	1.1
513.32135	17.0
514.32983	3.7
530.32068	2.8
545.34692	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.2
51.02370	0.9
52.56156	0.9
53.03944	3.6
55.01868	2.7
55.05511	21.4
57.03439	7.2
57.07071	3.1
65.03931	3.5
65.04257	0.8
67.05502	52.5
68.05843	1.0
69.03431	4.4
69.07070	12.7
71.04995	4.9
71.08638	1.0
75.25642	0.9
77.03931	2.2
79.05492	45.8
81.03415	34.4
81.07053	49.1
83.04979	6.2
83.08624	17.5
84.99348	0.7
85.02904	17.6
85.06560	2.3
91.05477	37.0
92.05791	0.9
93.07043	44.0
95.04970	19.6
95.08604	31.2
97.06509	4.8
97.10162	5.8
99.08064	1.1
103.05494	0.9
105.04508	3.5
105.07021	28.2
107.04954	3.9
107.08595	21.7
109.06519	4.4
109.10155	12.7
111.04443	1.6
111.08077	7.8
113.05929	1.0
115.05424	1.3
117.06988	6.9
119.08576	22.0
119.64482	0.9
121.06541	3.1
121.10139	22.7
123.08086	2.4
123.11703	3.0
125.05994	0.8
125.09638	4.5
128.88461	0.8
129.06999	8.7
131.08571	15.9
133.06480	2.4
133.10124	16.3
135.08057	2.0
135.11697	11.6
137.09624	2.6
137.13278	1.2
138.59555	0.8
141.07030	1.0
142.07802	1.7
143.08566	3.0
145.10121	9.5
147.08076	2.6
147.11670	12.7
147.12720	1.2
149.09634	4.3
149.13281	6.1
151.07480	1.0
151.11215	1.4
155.08548	1.1
157.10126	9.9
159.11678	6.3
161.13223	4.3
163.11183	2.5
163.14824	2.5
165.09099	1.1
165.12819	2.8
167.07062	0.9
167.08705	1.0
169.10193	1.7
171.11725	2.2
173.09633	0.9
173.13260	4.9
175.11183	8.2
175.14809	2.1
177.12721	1.1
183.11644	2.3
185.13280	1.4
187.14871	1.5
189.11159	2.1
193.12228	29.5
197.13373	1.2
201.16194	0.9
211.13284	34.1
212.13557	0.9
214.94868	1.3
227.12767	3.8
243.21112	2.1
261.22073	6.3
267.15851	5.4
277.21680	1.6
283.20401	1.2
285.17020	1.2
285.22192	1.6
289.21805	1.1
301.25333	3.4
317.24829	2.2
318.64206	0.9
335.25919	4.7
347.26218	0.9
435.32657	4.0
453.33524	3.8
471.34872	1.1
509.36276	1.2
527.37372	19.9
528.37354	1.1
545.21918	2.5
545.38397	100.0
546.38678	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01873	5.0
55.05516	29.3
57.03443	8.0
57.07074	3.6
63.52108	1.0
65.03935	2.4
67.05507	56.5
69.03442	2.7
69.07073	9.9
69.24710	2.6
69.25120	3.5
71.04993	2.7
71.39857	1.2
77.03934	1.8
79.05502	34.8
81.03418	22.7
81.07056	52.2
83.04989	4.5
83.08621	15.9
85.02922	1.9
85.06554	2.8
91.05483	31.5
93.07050	32.3
95.04973	19.4
95.08614	33.0
97.06562	3.9
97.10175	15.5
98.73470	1.0
99.08118	1.3
105.04571	1.8
105.07035	29.8
105.07745	2.0
107.04966	5.9
107.08594	23.5
109.06544	6.0
109.10167	20.7
111.08104	3.8
115.05486	1.5
117.07012	12.2
119.08595	22.0
121.06503	6.9
121.10152	17.8
123.04456	1.8
123.08081	2.9
123.11730	6.8
125.06028	1.2
125.09631	12.7
128.06259	1.1
129.07053	6.1
131.08565	16.3
133.06490	1.7
133.08612	1.9
133.10123	17.8
135.08081	4.9
135.11703	11.3
137.06006	1.9
137.09680	2.3
137.13287	1.6
141.07056	2.5
143.08516	5.5
145.06532	2.7
145.10130	15.0
147.08057	3.1
147.11694	11.8
149.09650	3.4
149.13315	4.8
151.14781	1.3
155.08598	1.8
157.10172	8.7
159.08081	2.1
159.11685	9.2
161.09657	2.5
161.13222	7.7
163.11209	3.8
163.14886	2.1
167.07095	1.2
169.10170	2.6
171.11729	5.2
173.09666	2.1
173.13278	9.3
175.11234	4.2
175.14844	4.0
177.12779	2.4
177.16396	1.2
178.68025	1.1
179.14233	1.3
181.04967	4.0
181.10176	2.4
183.11708	2.1
185.13298	2.9
187.14882	4.3
189.11273	7.0
189.12776	2.1
193.12248	9.0
196.07338	3.6
197.13272	1.5
199.14888	1.5
201.12860	2.0
201.16454	3.2
209.13371	1.7
211.09724	3.6
211.13248	1.8
211.14998	2.3
213.16328	1.5
221.15382	1.8
223.13243	1.8
227.12762	10.2
233.15439	2.1
243.16060	1.3
243.21272	3.2
247.17035	2.0
249.14946	1.6
259.16946	1.5
261.22171	13.1
267.15921	20.7
279.23215	3.4
283.24304	2.0
285.22232	2.5
287.20016	2.1
299.23804	2.8
301.25256	14.0
303.23331	1.5
317.24826	3.8
335.25836	17.5
357.27567	1.4
359.25931	1.4
393.22516	1.1
417.31454	2.4
421.25876	2.8
435.27341	2.7
435.32706	5.7
453.33679	12.5
471.34802	8.6
509.36191	2.4
527.37354	50.6
528.37537	2.6
545.38422	100.0
546.38831	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33268	1.0
53.03950	1.6
55.01866	3.6
55.05508	19.8
57.03441	5.5
57.07069	2.6
65.03931	1.8
67.05502	51.0
69.03425	4.1
69.07069	11.7
71.04977	3.0
71.08623	1.1
71.37801	1.1
79.05492	27.5
79.23382	0.9
81.03413	20.5
81.07054	42.2
83.04978	5.9
83.08608	15.2
85.06541	3.4
85.26747	0.8
91.05472	21.0
93.07037	26.9
95.04967	16.4
95.08601	29.8
97.02878	0.9
97.06503	2.6
97.10162	12.9
98.86960	0.9
99.08061	1.5
105.04506	1.7
105.07027	22.2
107.04965	4.2
107.08584	18.5
109.01173	0.9
109.06518	3.1
109.10149	18.1
109.37569	0.9
111.08069	4.4
115.05460	1.3
117.07022	8.6
119.08585	20.2
121.06521	6.4
121.10148	13.4
122.54205	0.8
123.08097	1.8
123.11681	5.8
125.09626	11.6
128.06224	1.4
129.06972	6.3
131.08565	16.8
133.06482	2.8
133.10123	13.8
135.08073	5.9
135.11682	8.5
136.44252	0.9
137.09627	2.8
137.13297	1.6
142.07773	1.8
143.08568	4.0
145.06448	1.1
145.10129	12.2
147.08047	3.8
147.11676	9.9
149.09624	4.3
149.13260	5.1
151.11192	1.2
153.09077	1.9
155.08612	2.4
157.10161	7.6
159.08061	2.4
159.11705	8.9
159.12868	1.5
161.09599	2.0
161.13228	6.6
163.11235	2.9
163.14839	2.8
169.10193	2.9
171.10323	1.4
171.11694	4.2
173.09634	1.1
173.13310	7.2
175.11205	3.6
175.14850	3.4
181.10092	1.5
183.11703	3.9
185.13264	3.1
187.14870	3.4
189.11214	7.2
189.12743	1.9
189.16393	2.1
193.12259	11.1
197.13225	2.4
199.14867	2.9
201.12863	1.2
201.16344	1.7
209.13263	1.5
211.14961	1.2
215.18048	0.9
225.16492	1.1
227.12750	13.3
233.15379	1.4
243.21176	2.7
245.19008	1.2
249.14792	1.3
259.20706	1.2
261.18445	1.4
261.19324	1.6
261.22144	11.7
267.15891	20.7
279.19678	1.2
279.23279	2.0
285.22141	2.9
287.20239	1.5
299.23679	1.2
301.21899	1.9
301.25180	15.2
303.23422	1.2
317.24832	3.0
321.20782	1.0
333.24673	1.3
335.22147	1.9
335.25784	14.4
347.22250	1.1
352.08682	1.0
357.27887	1.2
359.25818	2.6
403.24274	1.7
410.10999	1.1
417.26474	1.2
417.31631	2.4
421.25894	2.9
435.27405	2.1
435.32669	6.1
453.33670	9.4
471.34592	8.8
509.35931	2.0
527.37305	53.4
528.37933	3.0
545.38354	100.0
546.38647	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	546.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71848	4.4
55.05518	3.8
56.04889	3.7
57.03438	16.5
59.04982	6.0
61.47081	2.8
67.05507	6.3
69.03429	72.8
69.07066	5.5
69.94251	8.7
75.80095	3.0
81.03483	3.2
81.07063	5.6
85.02901	43.6
87.04472	49.8
93.07047	4.7
95.08621	9.8
97.02895	77.4
98.22717	3.7
105.07045	4.7
106.98698	3.5
107.08617	6.3
109.10170	7.1
115.03923	85.8
119.08597	7.9
121.06512	4.3
125.05991	6.1
127.03928	5.0
133.04962	81.7
133.10136	10.6
139.07536	7.8
145.04985	9.8
147.11726	8.0
150.07727	3.8
151.07516	4.0
153.09216	3.7
161.09657	6.5
163.06039	4.1
165.09100	3.8
179.10707	10.3
189.16414	13.3
217.15887	9.1
235.16940	100.0
331.19031	5.2
349.20175	10.0
445.57370	3.5
467.63660	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	546.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.05507	5.3
55.81737	1.8
57.03436	3.3
67.05500	13.8
67.91519	1.5
69.03430	2.7
69.07067	6.9
69.37120	1.6
79.05495	12.2
81.03425	4.1
81.07057	12.5
82.73232	1.7
83.04987	3.7
83.08622	5.3
85.02917	5.0
91.05476	12.9
93.07048	10.9
94.28583	1.6
95.04997	5.5
95.08601	9.0
97.02910	2.4
97.06540	2.8
97.10142	3.1
105.07012	14.4
107.04941	3.8
107.08566	10.0
109.06533	5.5
109.10146	5.8
117.07020	3.5
119.08591	12.1
121.06535	6.5
121.10153	6.7
123.08076	3.9
127.03948	1.8
129.07060	3.7
131.08545	8.5
133.06544	2.6
133.10078	10.3
135.08049	3.9
135.11728	4.0
137.09680	2.3
143.08565	3.3
145.10158	8.1
147.11690	6.9
149.09679	4.5
149.13283	1.9
157.10161	2.6
159.08047	1.6
159.11711	4.3
161.09465	2.1
161.13232	1.9
163.11176	3.9
173.09686	3.7
175.11195	3.5
187.11264	1.8
201.12752	1.7
219.13821	1.9
228.07027	1.8
247.20581	3.7
257.19012	6.6
269.13736	1.6
275.20062	41.1
293.21124	4.7
309.24759	1.7
314.10461	1.8
349.23706	100.0
350.24176	2.0
367.24789	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	546.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
56.97290	1.1
56.97703	1.1
57.03445	3.7
67.05508	9.5
69.03424	2.8
69.07069	5.3
71.04990	1.5
72.96754	1.3
79.05495	7.3
81.03433	2.4
81.07052	11.8
83.04982	2.8
83.08618	2.3
85.02909	3.6
91.05482	7.3
93.07043	8.0
95.04953	3.4
95.08603	5.4
97.02869	2.2
105.07021	7.9
107.04945	4.2
107.08595	8.1
109.06505	5.1
109.10159	2.6
117.07063	2.7
119.08572	6.9
121.06497	4.5
121.10132	4.9
123.08104	3.9
123.11673	1.4
125.09630	1.6
131.08562	7.9
133.10126	6.9
135.11693	3.1
137.09637	1.4
145.10161	5.8
147.11685	6.0
149.09628	2.2
151.11165	1.8
155.08566	1.3
157.10161	1.3
159.08066	1.3
159.11661	2.5
161.09506	1.6
161.13216	1.4
163.11177	3.7
173.13263	2.3
175.11105	1.8
191.14310	1.6
215.17947	1.6
229.19505	2.7
235.16919	1.8
257.18979	3.1
275.20074	27.0
276.20383	1.3
285.17090	1.7
293.21051	3.4
349.23727	100.0
350.23978	1.6
367.24823	2.9
511.28784	3.6
546.33929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93933	1.9
55.01871	2.2
55.05508	8.7
57.03434	6.2
66.00536	2.2
67.05503	21.7
69.07075	5.6
71.04980	3.5
73.02912	2.1
78.97730	2.1
79.05500	21.9
79.32657	1.9
81.03428	14.0
81.07055	24.6
83.04974	8.1
83.08604	8.6
84.38242	2.1
91.05480	25.2
93.07059	17.9
95.04941	9.1
95.08611	9.4
97.06522	4.7
101.94820	1.8
104.36253	2.2
105.07038	23.7
107.04941	5.1
107.08585	11.6
109.10136	6.8
111.08102	2.8
117.07067	9.6
119.08584	25.9
121.06506	2.7
121.10142	8.5
129.07019	2.5
131.08569	10.3
133.10138	30.1
135.08083	2.1
135.11681	7.4
137.09666	2.9
145.10120	6.8
147.11717	11.3
149.09605	5.3
153.12729	2.5
157.10101	2.7
159.11768	3.6
161.13249	4.6
163.11240	2.5
165.12773	3.1
173.13257	3.7
175.11214	3.9
181.50943	2.1
193.12233	3.9
251.44453	2.2
255.15874	9.4
257.19147	2.8
267.15897	18.6
275.20099	28.4
349.23755	100.0
350.23956	3.0
373.23734	4.0
405.29987	2.6
440.38531	2.1
447.27350	14.4
546.23761	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	546.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97767	0.9
53.03939	1.0
53.93337	1.0
55.01876	2.2
55.05516	5.1
57.03435	2.7
57.07047	1.0
61.02906	1.1
67.05508	13.3
69.07070	7.2
69.53204	2.0
69.53592	2.2
70.33288	0.8
71.04977	1.8
79.05492	11.6
79.97604	0.9
81.03419	4.1
81.07056	15.5
83.04973	1.8
83.08617	2.2
85.02899	1.1
85.06563	1.3
89.71626	0.8
91.05487	14.3
91.06046	1.3
93.07040	9.4
95.01356	1.8
95.04966	4.0
95.08610	8.4
97.02934	1.5
97.06526	4.6
101.77102	1.0
105.04549	1.4
105.07028	23.8
107.04964	3.8
107.08583	6.5
109.06526	1.6
109.10152	5.2
117.07015	6.8
119.08577	16.0
121.06488	1.4
121.10156	3.7
123.04398	0.9
123.08059	1.8
123.48630	1.0
129.07019	1.4
131.08574	6.7
133.10129	17.8
135.08061	2.3
135.11681	3.3
137.09673	1.5
145.10133	5.4
147.11662	7.0
149.09633	2.7
157.10124	1.5
159.11705	4.0
161.13268	2.2
163.11259	1.3
171.11694	1.5
173.13393	1.6
179.14348	3.0
193.12277	1.2
257.19000	2.2
267.15915	1.0
275.20081	19.7
349.23712	100.0
350.23767	1.5
367.24927	1.4
464.46320	1.1
511.28528	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	546.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.4
57.03437	3.2
57.07069	1.8
61.02935	6.4
67.05506	32.6
69.07075	6.8
70.28156	3.4
71.04998	2.5
71.08630	1.7
73.02934	1.8
75.04475	1.6
79.05491	18.9
81.07057	41.5
82.07365	1.9
83.08614	5.0
85.02901	5.1
85.06511	1.9
86.09721	2.5
89.06049	1.5
91.03954	4.8
91.05483	13.3
93.07048	26.5
95.04968	2.0
95.08606	33.1
96.08909	1.8
97.02878	3.9
97.06498	1.5
97.10197	1.5
98.23426	1.6
98.40630	1.3
104.10730	4.9
105.07030	10.1
107.08586	19.5
109.06536	1.6
109.10165	19.7
111.08086	1.3
117.07030	4.9
119.08588	9.9
121.10139	19.8
123.11706	15.4
124.99940	2.1
125.09628	1.3
127.03857	2.6
131.08566	8.7
133.10150	8.7
135.11703	17.9
137.09561	2.1
137.13216	5.0
145.04938	1.8
145.10135	7.7
147.11707	8.1
149.13258	16.1
151.11195	1.6
151.14803	1.6
153.12772	1.9
159.11710	8.7
161.13292	6.4
163.14862	10.3
165.12749	3.5
170.19406	1.4
173.13272	10.2
175.14795	4.0
177.16376	3.3
179.14316	3.9
184.07329	4.7
187.14821	6.8
191.14458	1.6
201.16403	2.0
203.17953	1.8
233.22682	2.9
243.21060	28.2
261.22125	100.0
261.65668	1.5
262.22537	2.4
263.23508	2.3
279.23038	2.0
335.25735	13.3
353.26831	40.8
511.31915	1.8
546.36401	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	546.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.7
57.03435	4.4
57.07066	7.4
61.02911	8.0
67.05164	2.9
67.05502	39.7
69.07048	7.7
70.27294	4.2
79.05493	22.5
81.07055	52.4
82.07359	2.8
83.08604	5.2
85.02910	7.4
85.06544	3.5
86.09660	2.9
91.03941	2.3
91.05464	13.4
92.48922	2.3
93.07040	32.6
95.04969	5.0
95.08604	45.5
97.02873	5.8
97.10156	5.2
99.08094	2.5
102.37226	2.1
105.07026	10.1
107.08588	20.7
109.10154	23.8
111.09522	2.7
117.06988	4.3
119.08568	10.5
121.10141	23.6
123.08047	2.8
123.11711	17.0
131.08585	13.3
133.10123	12.3
135.11674	18.8
137.13274	5.8
139.11211	2.3
141.05392	2.0
145.10127	10.2
147.11681	9.0
149.13266	15.3
151.14758	3.7
159.11678	9.4
161.13245	7.3
163.14816	10.6
169.04895	2.5
173.13277	12.1
175.15004	2.8
177.16351	3.8
184.07341	13.1
187.14818	6.2
194.10246	2.7
201.16451	4.2
243.21077	31.5
251.46474	2.4
261.22128	100.0
262.22430	2.8
279.23203	5.2
285.24435	12.1
303.25223	3.6
335.25757	28.2
353.26907	40.7
378.36856	2.4
514.77490	2.7
546.36652	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	546.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91410	0.7
53.03960	0.9
55.01256	0.8
55.05512	2.1
57.07077	51.0
59.05003	7.4
67.05502	2.7
67.42097	0.8
69.03409	1.0
69.07053	1.7
71.44534	0.8
75.98533	0.8
77.03908	1.0
77.06036	3.1
79.05489	2.7
81.07053	3.2
83.08615	1.3
87.04467	25.2
89.06032	28.7
91.05481	7.1
93.07043	10.8
95.04977	3.1
95.08604	1.8
97.10152	1.0
103.03941	100.0
103.07597	3.1
105.04483	1.4
105.07035	3.9
107.08597	2.7
109.06571	1.1
109.10126	1.2
117.07033	1.7
118.07818	3.4
119.04947	2.8
119.08581	2.9
121.06506	34.9
121.08662	1.3
121.10130	1.6
131.07059	3.3
131.08543	1.6
133.08606	16.3
133.10121	1.3
135.07137	0.8
135.08060	5.0
135.11726	2.2
147.06544	5.5
147.08032	8.1
149.09622	3.0
150.06810	1.7
159.11690	1.7
163.07526	1.0
163.09663	6.6
163.11075	1.9
165.09120	17.0
177.11229	2.7
186.67377	0.9
191.09160	9.9
191.10683	1.7
207.12288	3.4
209.11734	9.5
221.11661	0.9
227.12761	7.3
233.18999	13.5
235.11722	11.9
253.14410	0.9
259.20392	1.2
267.15860	1.0
271.15390	3.3
277.21619	19.3
278.22055	1.2
279.14172	1.1
303.23203	0.8
315.18018	2.5
321.24295	8.1
347.77884	0.8
359.20673	15.6
363.93661	0.8
417.21121	20.6
471.33194	9.8
511.32538	1.9
528.37695	2.7
529.33649	7.6
546.37390	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	546.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04119	1.2
53.03955	1.5
54.60325	1.3
55.01876	2.9
55.05534	8.3
57.03440	12.3
58.83322	1.2
65.03948	2.1
67.05508	31.1
69.07061	11.0
71.04989	3.6
71.74606	1.3
79.05498	20.9
81.03423	51.3
81.07059	38.7
83.04978	4.8
83.08623	17.1
85.06562	3.5
91.05486	18.0
93.07049	28.8
95.04967	18.7
95.08607	14.2
97.02937	1.8
97.06550	6.8
97.10161	3.2
97.95997	1.2
99.08099	1.5
102.30032	1.2
105.07046	10.3
107.04951	3.7
107.08589	15.1
109.06512	3.6
109.10192	3.3
111.04408	1.3
111.08063	6.6
115.05429	1.5
117.07005	3.2
119.08607	6.6
121.06514	2.0
121.10149	10.8
123.11748	1.5
129.07013	6.4
131.08589	10.7
133.06494	2.0
133.10126	5.0
135.11700	3.5
145.29659	1.3
147.08032	2.5
147.11705	6.3
149.09639	3.7
149.13251	15.2
157.10158	5.7
158.81296	1.4
159.11699	6.9
175.11247	6.8
177.12805	3.6
193.12263	13.2
195.13808	3.8
211.13283	3.1
249.14633	2.1
267.15912	59.5
268.16171	2.5
269.14621	3.1
269.17487	58.7
285.16998	1.8
301.20032	1.6
304.66949	1.4
435.27084	3.5
453.28290	3.8
461.28983	100.0
462.29282	3.7
479.29849	2.9
511.32550	3.8
547.33667	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	546.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09258	2.2
53.01069	2.5
53.91282	2.2
67.05502	5.3
69.07073	3.2
69.59713	10.3
71.08642	3.3
72.17202	2.3
79.05499	2.7
81.07047	3.7
87.30799	2.4
88.79097	2.4
90.97484	2.9
91.05526	2.6
95.04988	5.3
95.22549	2.5
98.23441	4.6
103.05418	2.4
107.04939	6.5
109.10150	3.3
111.04454	4.0
121.06528	8.1
123.04430	7.0
124.05206	3.9
125.05984	60.0
133.06461	3.0
135.08093	3.5
137.05994	11.1
138.06787	6.0
139.03912	8.7
139.07542	23.6
142.98880	2.7
143.48734	2.3
151.03902	5.7
151.07523	20.2
152.08307	5.1
153.05469	100.0
154.06279	22.7
154.08557	3.2
163.07564	13.1
165.87802	2.4
166.06264	90.8
167.07037	44.5
168.07790	21.1
169.08629	10.6
177.09125	19.8
179.07042	7.6
180.07756	2.5
181.08603	86.8
182.05708	6.7
183.10149	9.1
191.10669	5.7
193.08646	7.1
195.10193	5.5
196.07362	3.0
207.10181	6.7
211.09637	2.5
221.11797	3.5
315.23019	4.4
333.24506	6.0
361.27390	5.2
451.28394	5.1
469.29355	5.7
483.31073	23.8
501.32120	73.4
546.35052	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	546.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66706	0.7
55.05518	1.1
57.09539	0.8
67.05495	1.4
67.24310	0.8
69.89394	2.5
79.05505	2.0
81.07055	3.0
83.59894	0.8
89.06025	1.0
91.05496	2.6
93.07008	1.2
94.31195	0.8
95.04973	1.5
95.08614	0.8
96.05770	1.1
98.23220	2.1
107.04951	3.4
109.06486	1.9
111.08085	2.1
121.06496	3.2
123.08023	1.9
124.05201	4.2
125.05994	2.8
135.08083	2.8
136.04106	0.8
137.05965	12.3
139.07538	49.7
151.07545	19.9
153.05482	5.3
154.06252	1.7
155.06996	1.3
159.08080	0.9
161.09546	0.8
163.07552	3.6
163.11180	1.3
165.09082	7.0
166.06250	0.9
167.07036	100.0
168.07458	1.2
171.08032	0.8
173.35814	0.7
175.07494	2.3
177.09084	6.0
179.07123	1.0
181.08586	2.7
189.09058	1.1
191.10710	3.8
193.08640	1.7
207.09970	1.2
236.91232	0.9
347.25851	2.5
370.38043	0.8
451.28610	1.5
469.29474	20.3
472.23749	0.9
483.31006	4.9
501.32217	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	546.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13282	4.5
51.56621	5.5
57.07077	39.2
67.05490	6.7
69.07046	6.0
69.39340	19.3
71.08635	48.5
81.07056	9.1
87.04455	13.1
89.06038	100.0
91.05482	17.4
93.07055	24.9
95.04977	7.2
95.08634	8.3
101.07986	5.3
105.07048	9.6
107.08534	6.9
119.04977	5.6
119.08596	9.2
121.06500	42.1
124.89300	4.7
133.08604	63.6
147.08015	16.4
159.50157	4.6
165.09134	18.4
177.11229	26.6
209.11688	6.7
215.14449	4.8
247.20645	14.1
291.23090	27.9
306.70654	4.9
335.25766	15.8
403.23169	31.1
451.21887	4.8
528.11902	6.1
529.12122	5.8
529.37354	43.3
546.28784	14.7
546.39221	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	547.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96409	5.0
56.96730	4.6
57.85999	0.4
61.03029	0.4
68.33891	0.4
69.41566	1.7
79.05660	0.5
81.06732	1.5
81.07265	3.4
84.95678	1.4
84.96252	3.3
85.02619	0.6
85.03085	0.7
85.38939	0.4
86.25638	0.4
89.35098	0.4
93.07253	0.7
95.08203	0.8
95.08851	1.6
97.03081	0.9
98.96692	1.3
98.97831	30.9
98.98457	1.1
105.07182	0.7
107.08797	0.5
110.96975	1.7
110.97841	6.2
112.99347	0.9
115.04121	0.5
116.97961	2.0
116.98892	9.6
119.08783	0.5
124.99315	0.7
126.97262	0.7
128.06424	0.4
128.97878	1.0
128.98897	5.4
131.00400	0.5
134.98822	0.7
134.99950	1.9
137.13469	0.9
140.00456	1.1
140.97725	0.8
140.98912	4.5
142.99272	0.9
143.00464	6.3
144.98398	1.9
145.10352	0.8
146.99954	2.2
149.92358	0.4
152.98935	2.3
155.00455	2.1
157.10364	0.5
158.98529	1.7
158.99986	14.3
159.11903	0.6
161.00053	0.9
161.01537	3.8
162.99454	1.3
170.99997	5.2
173.01546	2.2
174.99524	0.4
176.99388	0.9
177.01041	9.7
179.02492	0.6
179.10991	2.5
183.00032	1.2
185.01483	0.8
189.01054	3.1
199.15141	0.5
201.01067	8.4
201.16684	0.9
207.02097	0.4
217.14323	0.5
217.16183	0.9
218.16460	0.8
218.99817	1.4
219.01758	19.6
219.17719	0.6
231.01889	0.7
235.17346	1.3
237.02818	15.8
242.03656	0.8
247.12593	0.6
249.02826	2.8
253.11292	0.4
255.04117	0.7
259.08557	0.4
260.04614	0.5
261.03238	1.1
267.04178	1.3
271.12115	2.2
279.04062	0.4
282.52954	0.4
283.12393	0.4
291.03854	3.2
295.12506	1.3
309.05014	0.5
313.13412	1.1
351.06082	0.5
355.14194	6.1
373.15329	50.5
374.15823	1.8
391.16437	4.4
396.16879	2.1
415.16626	0.6
457.17413	1.4
487.18506	100.0
488.18826	3.7
505.19598	19.8
506.19934	0.9
528.20844	2.1
547.20630	19.0
548.20532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79026	0.5
56.15276	0.6
56.96571	5.2
67.05473	0.6
70.73530	0.9
81.07068	5.6
84.96031	3.7
85.02892	0.9
91.05470	0.8
94.14204	0.7
95.08619	1.2
96.02702	0.6
98.88560	0.7
98.97581	30.6
105.63129	0.6
110.97571	7.3
112.99126	1.2
116.98608	10.6
121.10138	0.8
124.99146	1.1
126.97066	0.8
128.98616	5.3
131.00169	1.1
134.99655	1.9
137.13257	0.9
140.66249	0.6
140.98608	2.6
143.00156	5.4
144.98088	1.8
146.99693	1.9
152.98601	3.0
154.33153	0.6
155.00153	1.1
158.99644	7.7
161.01268	3.5
162.99159	0.9
169.73241	0.6
170.99670	5.2
173.01190	1.5
177.00694	6.6
182.70937	0.6
182.99664	1.1
189.00771	3.9
201.00644	3.7
207.01830	0.6
213.00719	1.8
219.01752	11.8
219.03786	0.9
231.01801	2.2
237.02834	15.9
240.52831	0.6
249.02817	1.5
260.04535	0.9
260.61124	0.6
271.12289	2.2
291.03989	1.0
313.13211	1.8
324.78543	0.6
355.14133	5.3
373.15314	50.2
374.15784	1.8
391.16190	3.8
396.17078	2.4
487.18506	100.0
488.18982	3.5
503.32742	0.7
505.19617	2.6
528.21082	1.1
546.33362	1.0
547.20929	12.3
547.34283	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	547.2152
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
54.03468	0.4
54.66294	0.3
67.67535	0.3
91.05492	0.4
97.02871	0.3
104.50978	0.4
115.01461	0.3
122.14791	0.4
131.08604	0.4
139.03963	0.4
159.04201	3.1
165.49698	0.4
176.04251	0.3
185.04228	0.7
286.17282	0.4
287.18695	0.5
322.52850	0.4
369.13132	0.8
371.96042	0.4
385.16284	1.5
547.21484	100.0
548.21808	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	547.3035
Annotation	Cowagarcinone A
Peak:m/z	Relative Intensity
52.33411	1.5
55.05518	2.2
58.66528	2.2
61.33848	1.5
65.03296	1.7
67.05492	2.3
69.55427	6.4
95.04936	1.7
102.80759	1.5
137.05966	2.1
151.07574	5.4
166.06396	1.7
167.06987	3.3
172.44427	1.6
187.18774	1.6
189.05321	2.0
196.07404	2.2
211.09709	2.7
216.07199	1.6
217.51846	1.6
242.79657	1.5
381.23294	1.7
519.30847	19.9
530.35510	5.5
547.30310	100.0
547.40417	8.8
548.31158	3.9
564.32227	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3032
Annotation	Cowagarcinone A
Peak:m/z	Relative Intensity
51.99485	0.4
55.05517	0.5
64.99365	0.5
67.05518	0.6
69.66817	1.5
81.07074	0.6
81.40851	0.5
91.72421	0.5
93.07064	0.6
98.23104	1.5
106.45760	0.5
119.04865	0.5
121.06546	1.0
124.11996	0.5
137.05998	3.3
138.06383	0.7
139.07562	1.2
151.07544	10.6
152.07884	3.1
165.09174	0.5
167.07060	1.7
175.38885	0.5
177.09087	0.6
181.08630	0.7
263.07907	0.5
354.96655	0.5
498.32639	1.1
530.35492	5.0
532.27893	1.4
547.30286	100.0
548.30536	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	547.3265
Annotation	Westiellamide
Peak:m/z	Relative Intensity
50.99810	0.5
52.75846	0.5
53.03939	0.5
54.83089	0.5
55.01861	0.9
55.05486	2.2
57.07052	1.5
65.03915	0.9
67.05496	4.6
68.99770	1.3
69.03413	0.6
69.07067	3.0
69.41886	1.1
69.42297	1.6
71.08609	1.4
79.01839	0.6
79.05492	3.3
81.03412	0.9
81.07055	4.7
83.01329	0.9
83.04925	0.7
83.08589	1.5
85.10152	0.6
91.05482	3.1
93.03382	1.0
93.07011	2.0
95.04955	5.5
95.08603	3.9
96.79760	0.5
97.06537	0.6
97.10159	1.2
98.03713	0.5
98.22803	1.4
105.03416	0.7
105.04520	0.8
105.07030	1.1
107.04944	3.6
107.08576	1.3
108.05721	0.9
109.02873	3.2
109.04424	0.5
109.06475	1.6
109.10126	1.5
110.03671	0.9
111.04426	1.8
113.05991	0.9
115.05460	0.7
117.06990	1.8
119.04891	0.6
119.08565	1.3
121.06502	3.1
121.10138	0.7
123.04420	18.2
123.08066	1.4
124.05175	2.0
125.02325	0.8
125.05978	9.1
126.03117	2.7
126.06773	1.4
127.03867	0.8
129.06940	0.8
131.04942	0.9
131.08554	1.8
133.06429	1.5
134.77742	0.4
135.04384	2.0
135.08063	1.9
135.11693	0.8
136.05168	2.7
137.02257	0.7
137.05972	7.0
138.06767	2.4
139.03893	11.3
139.07516	8.6
140.04633	2.2
141.05453	10.1
145.06438	1.2
145.10193	0.6
147.04420	1.4
147.08000	1.5
149.02399	2.4
149.05954	1.6
149.09569	1.0
151.03889	2.0
151.07529	12.4
152.04700	4.9
152.08293	1.0
153.01791	1.3
153.05452	18.8
153.09061	2.7
154.02588	1.7
154.06259	3.0
155.03410	1.2
155.07022	7.9
159.04451	1.0
159.08066	1.0
159.11720	0.5
161.05937	3.0
163.03912	5.5
163.07503	2.7
165.05457	1.7
165.09111	2.0
166.02634	0.6
166.06233	6.6
167.02028	0.9
167.03377	10.7
167.07030	25.8
168.04167	8.0
168.07814	17.6
169.04945	69.4
169.08527	3.1
170.05481	0.8
173.05995	1.4
173.09663	0.5
175.07552	1.6
177.05467	4.2
177.09143	3.0
179.07016	3.3
180.04088	0.5
181.05032	5.7
181.08582	39.7
182.05731	25.7
182.09245	2.1
183.06519	33.5
184.07295	100.0
185.07811	1.0
187.07530	0.8
187.11200	0.5
191.06992	3.2
191.10606	1.3
193.08569	6.4
195.06552	1.9
195.10110	0.9
196.07292	12.4
197.08078	22.5
198.08859	28.0
199.09637	25.3
202.50833	0.5
205.08565	1.9
207.10115	3.1
209.08075	0.6
211.09630	30.7
212.10281	0.9
213.11099	3.1
219.10167	0.9
221.11684	0.8
223.09453	0.8
233.11765	0.6
289.21667	1.8
299.20029	0.8
303.23300	1.1
317.21118	1.8
321.24182	10.0
331.22556	2.5
349.23734	2.4
423.25467	1.1
445.29538	0.6
451.24731	3.3
455.27734	3.1
465.26599	1.3
473.28821	8.4
473.34827	0.6
483.27377	11.1
484.27780	1.2
487.30539	2.2
489.28354	0.8
497.29025	1.7
515.30011	18.9
516.30792	9.4
517.31158	0.8
519.33319	0.5
529.31482	1.7
532.30286	13.7
533.30688	0.9
547.32623	45.0
548.32941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66526	3.2
67.05495	7.6
68.92102	3.6
79.05508	4.9
81.07081	10.7
87.04482	9.3
89.06054	11.7
93.07040	6.1
95.08611	6.2
105.07047	6.6
109.10168	4.8
119.08572	3.7
131.33568	3.3
136.35471	4.1
143.77930	3.6
151.11240	4.1
217.24232	3.8
221.09412	5.4
240.07922	3.6
253.28033	3.9
294.12390	5.1
307.73715	4.1
335.18246	13.7
347.19617	23.3
408.19867	3.8
433.27032	6.5
460.29449	6.6
473.30298	100.0
474.30966	7.3
487.33765	6.1
504.26843	4.2
529.32922	67.8
530.33594	48.6
547.33258	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	547.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.71728	0.4
57.03417	0.4
62.22554	0.3
65.24642	0.4
67.05501	2.5
68.05841	0.5
68.65520	0.3
69.07059	1.2
71.04989	0.9
71.05614	0.4
71.43108	0.4
78.51841	0.3
78.75579	0.3
79.05490	1.7
79.28591	0.4
81.03416	0.8
81.07059	3.7
83.04971	0.4
83.08637	0.8
85.02898	0.5
91.05481	1.8
93.07021	2.0
95.04966	0.7
95.08614	1.6
95.37337	0.4
105.07034	1.5
107.08601	1.7
109.10140	1.1
119.08576	0.8
121.10133	2.1
123.08031	0.5
133.10143	0.7
135.11681	0.6
155.68211	0.3
177.16388	1.1
193.12126	0.6
194.12802	0.5
211.13324	0.7
212.13676	0.4
250.10786	0.4
265.87918	0.4
335.18283	100.0
336.18680	2.2
351.25122	1.2
358.67627	0.4
436.27734	0.6
451.73709	0.4
454.28864	2.2
462.29193	0.5
480.30319	0.7
512.32892	0.5
547.35638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
55.05815	0.5
55.25077	0.5
57.03436	0.6
58.04250	0.5
59.84932	0.4
65.03952	0.5
67.05507	3.6
69.07064	1.5
69.41782	0.5
71.04990	0.9
79.05500	2.2
80.05824	0.5
81.03425	1.6
81.07056	4.7
83.05010	0.8
83.08625	1.4
85.02898	0.5
91.05482	2.3
92.05833	0.6
93.07047	1.8
93.92561	0.5
95.04958	1.4
95.08617	0.8
97.06544	0.8
105.07032	1.5
107.08591	1.3
119.08564	0.8
121.10155	0.8
125.09649	0.6
129.06943	0.5
131.08569	0.8
133.10141	1.5
135.11717	1.3
145.10112	0.6
147.11775	0.6
174.35190	0.5
187.28261	0.5
192.81696	0.5
193.12189	0.9
211.13373	0.9
212.13637	0.7
236.63620	0.5
255.16017	0.5
263.16299	0.5
268.16367	0.6
275.20035	1.2
302.20389	0.7
335.18286	100.0
336.18652	3.5
436.27667	0.7
454.28723	3.1
462.29160	1.2
469.32870	12.2
470.33301	0.7
480.30551	2.3
487.34192	2.4
512.32874	2.5
529.34894	1.6
530.35919	0.5
547.28320	0.9
547.36206	12.6
548.34601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01879	6.7
55.05513	30.4
57.03433	8.9
57.07080	10.3
65.03963	3.5
67.05508	78.7
69.03447	2.6
69.07071	25.4
71.04998	22.5
71.08652	3.0
71.25618	1.7
73.06544	1.9
79.05492	42.4
81.03425	33.8
81.07061	63.1
83.05009	6.6
83.08623	24.3
85.06551	3.1
89.06064	3.9
91.05483	32.6
91.05991	2.5
93.07053	41.6
93.07603	3.3
95.04974	27.6
95.08607	47.6
97.06567	8.4
97.10168	17.6
98.23526	3.7
99.08147	2.1
99.91451	2.2
105.07026	26.0
107.05002	7.8
107.08588	24.4
109.06559	5.9
109.10154	29.3
111.08140	5.8
111.11726	2.6
117.07000	11.6
119.08585	25.9
119.09309	2.4
120.68018	2.5
121.06570	6.6
121.10150	14.4
123.08137	2.8
123.11778	6.9
125.09687	6.4
129.07069	7.4
131.08646	7.2
132.59608	1.9
133.10118	11.4
135.08064	1.8
135.11711	18.1
137.09634	9.1
139.11418	1.8
143.08611	5.1
145.10118	11.1
147.08084	2.7
147.11642	9.1
149.09695	3.8
149.13315	4.9
157.10123	4.7
159.11755	4.3
161.13350	3.8
163.11232	3.8
163.14937	3.6
165.12799	2.7
167.08614	2.1
169.10226	2.6
169.12387	2.6
170.91461	1.7
175.11237	3.0
175.14911	5.8
178.43506	1.9
181.05089	2.0
181.12280	2.6
185.13419	2.4
189.11325	5.4
189.16481	3.3
193.12256	14.2
199.14996	2.2
213.15010	1.8
220.16170	1.9
221.72797	1.8
227.12938	5.8
241.17982	2.4
245.22812	2.8
249.15033	2.6
263.23785	4.3
267.15906	33.4
275.20151	2.7
301.25430	2.6
302.58279	2.0
303.23593	2.1
303.26987	4.8
305.24902	2.2
309.22198	1.9
317.24927	2.1
329.24777	2.2
333.15103	3.8
337.27368	28.9
363.25525	2.3
379.38501	2.0
437.34311	3.6
451.36826	3.3
455.35104	11.2
473.36682	7.3
503.37152	10.2
515.37360	3.8
529.38916	49.9
529.46301	3.1
530.38721	3.1
541.50012	1.8
547.40192	100.0
548.40948	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	547.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05262	0.6
55.05512	8.9
56.05017	0.6
57.07063	1.2
63.88301	0.3
67.05505	3.7
69.06718	0.5
69.07069	9.2
69.23182	0.9
69.23594	0.7
71.04983	0.6
71.08636	0.4
77.70352	0.3
79.05482	1.4
81.06631	0.4
81.07064	4.3
83.01336	1.1
83.08620	5.1
84.04501	16.5
85.02892	0.3
90.06474	0.3
91.05475	1.3
93.07021	0.8
95.04921	0.7
95.08600	3.6
97.10163	3.0
98.22644	0.4
98.23232	1.1
101.07139	1.5
105.07013	0.4
107.04962	0.5
109.06516	2.4
109.10124	1.1
111.11710	0.7
120.83591	0.3
121.06491	1.0
123.04429	6.7
123.08070	0.6
125.05984	0.8
130.04997	23.4
135.04393	2.0
135.08066	0.6
137.05971	100.0
137.13249	0.4
138.06310	1.4
139.07539	0.6
145.06480	0.3
145.10059	0.3
147.07635	30.9
149.03142	0.2
149.05974	7.5
149.09596	0.8
151.07544	9.9
153.05441	0.4
162.06773	0.4
163.07538	14.0
165.09109	0.9
167.07013	0.8
171.13901	0.5
177.09100	18.2
178.09377	0.4
178.32997	0.3
179.10606	0.5
182.05714	0.6
187.14789	0.4
191.10657	4.3
205.12225	5.0
207.13818	2.3
219.13806	0.6
221.15372	0.9
233.15361	0.9
247.16948	1.6
249.18427	0.3
261.18549	3.5
265.97006	0.3
275.20047	2.8
289.21530	1.0
331.26282	24.3
332.26642	0.7
341.40384	0.3
345.27930	1.1
401.34125	27.3
402.34460	1.3
415.35464	1.9
507.98718	0.3
520.91754	0.3
547.26111	7.5
548.25891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72023	0.4
53.03934	0.5
55.05510	6.3
56.05017	0.3
57.07064	0.7
67.05512	3.5
69.07065	6.1
69.89380	0.7
69.89726	0.8
79.05482	1.4
81.07054	6.0
83.01340	0.4
83.04999	0.4
83.08610	4.3
84.04495	10.9
91.05445	0.5
93.07015	0.4
95.08598	6.2
97.09595	0.3
97.10147	1.9
98.22845	0.7
98.23370	0.4
98.59064	0.3
101.07127	0.9
102.05546	0.6
104.10752	0.6
105.07040	1.0
107.08559	0.5
109.06518	3.0
109.10140	1.2
111.11749	0.4
121.06522	0.6
123.04424	2.3
123.08061	6.6
123.08892	0.5
125.06019	0.5
125.13348	0.4
130.04994	15.7
131.15871	0.3
135.08029	0.8
137.05965	68.6
138.06313	1.1
139.07538	0.5
147.07632	19.0
149.05975	1.5
149.09589	0.6
151.07529	100.0
152.07886	1.8
163.06187	0.8
163.07529	14.3
165.09131	1.2
167.07048	0.5
170.82918	0.4
176.56752	0.4
177.09100	15.9
191.10651	6.2
198.64700	0.4
205.12274	2.6
207.13795	2.8
219.13762	2.2
221.15346	3.5
233.15298	0.9
247.16907	2.1
261.18524	1.4
275.20102	0.7
289.21585	0.8
303.23242	0.4
331.26248	9.5
345.27847	14.3
346.27948	0.5
401.34094	22.4
402.34399	0.8
410.97540	0.4
415.35669	30.2
416.36154	1.1
547.28992	1.6
547.36017	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	548.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.9
55.29585	6.2
56.05361	6.2
56.06087	5.8
57.03424	21.3
59.04989	7.5
59.52385	6.2
61.02922	7.5
67.05499	13.9
69.03435	67.8
69.07057	12.4
69.17526	25.4
69.17931	11.7
71.04993	8.9
73.02904	16.0
79.05477	19.5
81.03417	25.1
81.07050	28.7
82.42671	7.1
83.08624	9.3
85.02901	60.9
87.04481	34.0
91.05485	29.8
93.07033	30.0
95.04955	14.5
95.08594	28.6
97.02898	62.8
98.97538	6.7
105.07027	63.5
107.08605	43.3
109.10142	29.1
110.39981	6.3
115.03918	88.9
117.06979	15.3
119.08565	43.6
121.10148	25.5
123.11710	17.2
127.03935	11.6
131.08502	16.5
133.04964	78.7
133.10110	15.7
135.11673	24.9
137.13286	7.2
143.08665	9.5
145.04965	12.7
145.10117	50.3
147.11646	15.1
149.13266	8.3
159.11658	41.6
161.13223	16.5
163.11156	7.0
175.14789	11.7
187.14908	10.2
191.17946	12.9
201.16452	79.5
219.17458	100.0
237.18489	27.1
277.09280	7.9
295.10229	10.2
351.21442	9.6
424.32608	6.7
465.16901	7.3
488.18906	13.8
549.22925	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	548.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.05508	12.8
57.03437	27.7
57.07066	2.5
59.05002	7.2
60.04516	3.2
61.02924	4.0
65.03947	2.4
67.05499	30.9
69.03063	5.1
69.03428	82.2
69.07059	14.1
69.24084	12.8
71.04991	5.4
72.93800	2.7
73.02922	21.1
79.05487	37.2
81.03412	9.9
81.07050	63.3
82.30168	2.5
83.04961	5.1
83.08630	3.2
85.02902	76.0
85.06537	4.6
87.04462	51.2
89.05992	2.5
91.05480	60.1
93.07040	56.8
93.07599	4.0
95.04989	13.1
95.08599	58.0
97.02890	74.0
97.06529	4.0
97.10168	6.6
99.04465	5.3
105.04491	2.9
105.07027	76.2
107.04954	4.8
107.08584	61.5
109.02905	3.1
109.06516	15.8
109.10154	38.3
115.03121	5.3
115.03926	87.6
117.07011	19.8
119.08578	72.3
121.06496	3.4
121.10139	50.1
123.08061	8.5
123.11746	3.9
125.09601	3.4
127.03918	6.6
129.06996	5.5
130.07802	3.9
131.08582	26.1
133.04965	82.2
133.10121	25.4
134.53026	2.6
135.08020	5.6
135.11684	49.8
137.09619	6.1
139.03844	4.0
142.07832	3.4
143.08559	8.9
144.09354	4.3
145.04976	14.8
145.10118	81.2
147.08038	2.5
147.11684	82.6
149.05974	3.7
149.09610	7.2
149.13226	18.6
150.07645	11.7
157.10179	4.2
159.11684	41.9
161.04498	3.6
161.13271	23.1
162.53349	2.7
163.06139	3.6
163.11179	19.1
163.14755	3.0
165.12772	6.3
171.11664	7.4
173.13251	14.3
175.14864	9.9
177.12852	3.8
183.11632	3.7
187.14888	3.4
189.16431	4.7
191.17934	29.2
199.11192	8.7
201.16382	100.0
203.17963	4.3
211.11133	2.7
217.12151	3.9
219.17433	72.8
219.19490	5.1
227.10701	2.9
229.12299	3.0
237.18526	8.0
241.07034	3.7
245.11720	9.8
247.13243	8.8
259.08167	6.7
265.14313	13.2
279.15976	3.3
295.10172	5.6
307.29764	2.4
319.15222	4.9
333.20590	5.2
390.96851	3.0
548.23450	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	548.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.05508	6.9
57.03432	9.0
59.05021	2.8
67.05501	22.0
69.03429	27.1
69.07077	5.0
69.31599	1.8
69.31891	7.9
71.04990	1.8
73.02919	2.5
77.03922	2.4
79.05490	25.8
81.03461	1.8
81.07057	32.4
81.07500	2.3
83.08624	2.0
85.02904	26.5
87.04472	19.0
91.05482	36.4
93.06448	2.6
93.07041	40.1
93.87685	1.5
95.04418	1.6
95.04939	8.4
95.08605	43.3
97.02888	25.3
97.06550	2.4
98.23437	3.3
103.05501	1.8
105.04530	3.0
105.07028	65.6
107.08591	42.6
109.06526	2.8
109.10166	18.0
115.03930	33.5
115.05440	2.8
116.06325	2.0
117.07018	27.8
119.08575	40.8
121.10148	21.3
123.08088	1.8
123.11706	3.2
127.03907	3.9
129.06992	3.8
130.07793	3.8
130.15903	3.5
131.08571	43.0
133.04973	36.0
133.10121	27.2
135.11685	10.7
137.06038	1.7
139.04021	2.8
143.08594	4.8
144.09386	4.5
145.04993	3.6
145.08963	3.5
145.10124	71.3
147.11693	12.2
149.13315	4.0
150.07608	4.6
157.10165	4.9
159.11693	41.8
161.13261	16.6
163.11258	1.5
169.04985	1.9
171.11682	1.7
172.12454	2.0
173.13286	19.1
175.14819	4.6
183.11763	2.2
187.15016	2.7
189.16399	5.1
191.18062	5.7
199.14827	2.7
201.16385	100.0
203.10576	1.9
203.17967	5.5
216.55670	1.7
219.17430	35.7
231.17490	1.8
237.18570	4.0
267.20544	1.5
277.09344	1.5
295.10339	1.7
333.20563	2.2
381.22897	1.6
395.00623	1.5
453.51492	1.5
518.83533	1.7
548.21576	4.5
548.35156	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28795	1.7
53.03937	2.0
55.01897	2.2
55.05505	5.7
57.03431	10.4
57.07075	2.2
57.44223	1.8
59.04984	1.8
67.05502	13.2
69.03430	35.7
69.07093	4.1
71.04997	2.1
71.45080	1.9
73.02921	4.0
79.05486	15.2
81.03404	3.4
81.07056	25.5
81.92946	1.9
83.04958	4.8
85.02908	28.4
87.04471	21.9
89.61048	2.1
91.05479	19.2
93.07054	24.4
95.04972	6.5
95.08604	42.4
97.02898	33.5
99.04422	2.2
105.07026	51.6
107.08588	34.0
109.02920	3.5
109.06493	3.4
109.10165	15.5
111.08100	2.8
115.03931	39.8
117.07022	11.7
119.08577	34.3
121.10114	19.3
123.08060	3.2
123.11695	2.1
125.09622	2.9
127.03943	4.5
129.06976	2.5
130.07799	2.8
131.08553	24.2
133.04961	34.9
133.10117	19.1
135.11705	14.7
139.03909	2.9
142.07797	2.1
143.08545	6.4
144.09296	3.2
145.04958	6.1
145.10115	61.6
147.11676	17.9
149.13223	4.3
150.07588	3.8
157.10165	5.2
159.11682	43.0
161.13268	18.2
163.14854	1.9
169.10039	2.4
171.11690	2.8
173.13268	16.6
175.14792	5.1
185.13290	2.4
187.14894	2.6
189.16396	7.3
191.17882	9.8
197.13036	2.0
199.14771	4.6
201.16374	100.0
203.17972	8.3
217.15927	2.3
219.15294	3.5
219.17435	66.0
237.18457	9.7
243.17226	2.1
259.08292	2.0
261.18561	3.5
277.09341	2.8
285.18546	3.3
295.10367	3.3
297.18411	2.6
304.88962	1.8
315.19617	4.7
333.20456	4.6
351.21686	6.9
381.22659	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	548.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82869	1.0
55.05510	3.2
57.07069	2.1
65.03323	0.8
67.05504	7.0
68.99770	0.9
69.03422	0.8
69.07073	2.9
71.08631	1.2
79.05511	3.7
81.03417	1.1
81.07051	7.3
83.08616	2.4
85.02934	1.3
89.06020	2.5
91.05455	4.2
93.07053	2.6
95.04963	4.0
95.08604	5.7
96.97659	0.8
97.10143	1.0
105.03403	0.8
105.04492	0.9
105.07010	2.5
107.04934	2.8
107.08582	1.7
109.06526	4.3
109.10174	2.1
111.04473	1.9
117.07043	1.7
119.08572	1.6
121.06550	1.9
121.10182	1.6
123.04420	14.5
123.08086	2.1
125.05973	6.5
125.18243	0.8
126.03159	1.5
131.04871	0.9
131.08502	1.0
133.06509	1.5
133.08563	1.0
135.04417	0.9
135.08037	1.0
135.11688	1.1
137.05972	37.4
139.03899	9.5
139.07570	2.1
140.04712	1.0
141.05457	6.0
145.10085	0.9
147.08064	1.6
147.11740	0.9
149.02284	1.3
149.05971	2.0
151.03871	0.7
151.07556	6.3
153.05461	16.1
155.03410	0.8
155.07166	1.0
161.05983	1.8
161.09569	1.0
163.03909	4.1
163.07509	5.1
165.05490	1.1
167.03409	3.5
167.07043	5.2
168.04178	1.8
169.04942	16.3
175.07492	1.3
175.11211	1.2
177.05481	2.9
177.09099	5.5
178.06212	1.8
179.07042	2.9
182.05823	0.8
189.09158	0.8
191.07057	3.0
193.08598	2.1
193.12189	0.9
205.08649	1.2
211.13258	1.1
214.03589	0.8
215.35985	0.7
401.34119	0.8
439.24686	3.2
451.36017	2.6
453.26346	2.2
457.25623	4.9
471.27490	10.3
481.25757	2.2
485.29025	1.1
489.28482	19.2
513.28467	100.0
514.28784	3.2
530.15857	0.9
548.28589	1.2
548.39819	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	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
55.05510	7.2
57.03415	2.4
57.07069	1.8
61.02932	2.5
67.05504	24.4
69.07058	5.3
71.04997	2.3
71.08602	1.3
71.44905	1.6
79.05486	14.7
81.07052	26.3
83.04976	1.7
83.08603	4.7
85.02877	1.9
85.06538	1.9
89.22060	1.5
91.05473	12.8
93.07043	18.4
95.04956	4.3
95.08611	17.5
97.06520	5.4
97.10172	2.7
99.08095	1.5
100.14333	1.4
105.07031	10.0
107.04948	1.8
107.08587	8.8
109.10159	11.0
111.08092	3.1
117.07008	3.0
119.08574	9.2
121.10140	6.8
123.11697	3.0
125.09641	1.8
129.07021	1.8
131.08548	2.9
133.10133	8.9
135.11681	5.2
145.10085	3.0
147.11676	6.4
149.13271	3.6
151.11166	2.1
157.10072	2.2
159.11754	3.4
161.13246	5.0
171.11667	3.3
175.14790	2.3
179.14275	4.0
185.13368	1.6
229.14281	1.9
231.21008	2.5
241.19617	2.5
259.20581	3.3
267.15952	1.8
269.17389	3.6
277.21628	13.5
351.25278	100.0
352.25616	1.7
513.30475	1.8
549.29932	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	548.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29722	3.2
67.05499	6.5
69.07071	4.8
69.17258	17.2
79.05506	5.6
81.07048	10.9
91.05500	5.5
95.04991	6.0
95.08630	7.7
105.07036	6.0
109.10168	4.3
117.07053	4.3
121.06481	4.7
123.04464	23.7
125.06058	7.5
131.90967	3.6
135.04372	3.7
136.05057	3.1
137.05884	4.6
139.03918	3.5
139.07516	4.4
140.04672	5.0
141.05496	4.8
151.07549	11.1
152.04764	4.5
153.05482	11.9
153.09074	4.5
154.05869	4.3
155.06998	7.1
163.03978	3.5
166.06218	7.2
167.03413	8.5
167.07072	10.6
168.07748	13.3
169.04961	41.1
170.05382	11.1
177.09187	4.0
181.04974	46.1
181.08580	25.1
182.05701	17.5
182.09026	7.2
183.06512	19.1
184.07320	56.9
185.07689	16.3
187.19374	3.9
196.07306	85.0
197.08098	21.3
198.08798	19.3
199.09538	13.8
211.09650	100.0
212.09868	6.6
322.24808	4.1
333.24371	9.6
382.18726	3.3
437.46716	4.4
484.27649	6.3
516.30157	9.4
517.31085	5.6
531.33557	5.5
533.30737	11.0
548.33124	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	548.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	23.5
55.29780	1.7
57.03428	5.3
57.07070	9.0
60.25379	1.7
61.02928	6.8
64.18258	1.5
65.03925	2.5
67.05502	68.4
69.07070	28.7
69.14120	10.6
70.55663	1.8
71.04990	2.5
71.08620	6.6
73.02892	1.6
74.09706	3.5
76.00105	1.8
78.06243	1.5
79.05491	19.2
81.03433	2.4
81.07054	100.0
82.07412	2.3
83.08620	21.4
85.02894	5.2
85.10194	2.1
89.63503	1.5
91.05461	14.0
93.07038	28.5
95.04959	2.4
95.08603	85.9
95.09222	4.2
97.02856	2.3
97.06536	6.2
97.10167	14.2
98.23459	2.5
99.08106	4.0
105.07025	10.6
107.08578	18.7
109.10149	40.5
111.08105	3.7
111.11720	5.9
112.00217	1.8
113.09595	1.7
119.08581	12.3
121.10141	21.0
123.11694	24.0
125.09689	2.4
125.13188	1.8
129.79524	1.7
131.08504	2.6
133.10129	15.9
135.11703	18.0
137.09593	2.3
137.13251	9.9
139.11169	2.6
139.14859	1.9
146.97444	2.2
147.11658	9.0
149.13251	7.7
151.11176	1.9
151.14813	10.1
153.12833	2.7
159.60915	1.8
161.13237	13.0
163.14841	8.3
165.12741	2.4
165.16389	5.2
167.14261	3.6
169.15881	1.7
172.15652	1.6
175.14847	7.3
177.16373	7.0
179.14310	3.3
179.17975	10.5
188.15820	1.6
189.16360	6.7
193.15788	2.1
193.19563	3.9
195.17427	2.9
197.48340	1.9
203.18027	2.4
207.17380	4.7
242.30081	2.1
259.24179	49.5
259.26752	3.5
277.25247	82.6
278.25656	2.7
351.28949	40.9
352.29333	1.8
369.29898	2.4
386.20956	1.9
487.27383	2.1
530.38403	2.3
548.39716	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	548.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	25.0
57.03434	7.4
57.07079	9.9
61.02938	7.0
63.88948	2.4
67.05508	74.7
69.07072	35.8
71.05002	4.1
71.08640	5.4
79.05495	20.6
81.03415	3.6
81.07058	100.0
82.07410	3.1
83.08622	24.4
85.02903	6.8
85.06578	3.4
89.06042	3.0
91.03954	3.9
91.05494	14.7
93.07046	28.2
94.07358	2.1
95.04961	5.2
95.08609	90.9
95.71291	2.3
97.02903	4.0
97.06539	8.6
97.10178	17.5
99.08120	3.3
105.07043	13.4
107.08593	21.2
109.10151	47.9
111.08095	5.4
111.11752	3.1
119.08562	11.4
120.69189	2.9
121.10155	25.9
123.11706	22.4
124.12027	2.5
125.09633	3.5
133.10139	15.0
135.11690	14.9
137.13249	14.9
147.11690	12.5
149.13255	8.1
151.14867	7.5
155.14240	2.4
161.13281	10.0
162.93954	2.2
163.14828	7.8
165.12643	2.4
165.16412	7.2
175.14832	12.0
177.16400	8.6
179.18007	8.5
184.07298	2.7
189.16457	4.3
193.15929	2.8
193.19559	3.6
203.17905	4.0
213.00174	2.6
259.24234	45.8
277.25272	75.5
326.81512	2.4
351.28949	58.9
351.32980	4.8
369.29956	4.4
503.51019	2.9
513.34131	4.2
530.39166	8.9
548.39832	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	548.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
57.07076	39.7
57.73051	0.5
59.05008	5.0
67.05496	1.6
69.03439	2.9
69.07069	1.0
69.69044	1.3
69.69416	0.9
71.04977	0.5
71.08640	0.5
73.02921	1.5
73.06555	1.7
78.62202	0.5
79.05505	1.6
81.07052	2.2
81.64478	0.5
83.05003	0.6
87.04467	100.0
88.04816	0.6
89.06034	9.5
91.05475	5.0
93.07049	6.1
95.04977	3.8
95.08594	0.8
97.06509	0.8
103.05470	1.7
105.04530	1.7
105.07031	1.8
107.04942	0.5
107.08599	1.9
109.10137	0.6
113.06003	1.4
113.13283	0.9
115.05476	0.7
117.07008	0.7
117.09161	1.7
118.07784	2.9
119.04967	2.2
119.08581	2.6
121.06506	22.9
121.10178	0.9
131.07045	8.3
131.08545	0.8
133.08594	7.7
133.10107	0.8
135.08026	3.8
135.11729	0.8
139.07607	0.7
145.06512	1.2
147.08043	8.1
149.09599	2.3
149.13231	1.0
150.06773	1.2
157.08646	1.8
159.11771	1.6
161.09633	1.4
163.07529	2.0
163.11180	1.3
165.09102	10.8
165.10405	0.7
167.10762	0.7
173.09586	0.6
175.09676	6.0
177.09033	0.5
177.11234	1.3
177.12704	1.0
179.10730	3.1
182.04761	0.5
189.09131	0.9
191.10698	1.3
201.11282	1.3
207.10146	4.1
209.11769	5.9
211.13248	1.0
219.12274	5.7
221.13795	0.5
233.11703	0.7
233.18991	11.2
235.13310	1.2
247.20605	2.0
251.12747	1.5
253.14296	1.3
257.18982	1.1
259.20572	0.8
263.14923	0.9
269.17487	2.6
275.20123	2.3
275.23352	0.6
277.14447	1.0
277.21625	14.4
277.24496	1.0
295.15228	2.5
297.16867	0.6
315.17975	6.1
319.22659	6.7
321.16910	0.6
321.24301	6.8
345.24326	0.7
363.25421	1.4
383.20828	2.9
389.26910	1.4
401.21683	6.6
402.70026	0.7
407.27960	1.8
427.30548	1.6
474.30798	0.9
495.33279	3.4
513.34033	1.0
530.37024	6.8
545.41711	0.6
548.38348	3.8
549.30475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2311
Annotation	Bruceantin
Peak:m/z	Relative Intensity
57.03433	0.6
58.00031	0.2
67.05515	0.5
69.03423	1.5
69.07084	0.4
69.33051	1.1
73.02896	0.2
79.05524	0.4
81.03392	0.3
81.07059	0.6
85.02911	1.0
87.04478	0.7
89.47173	0.2
91.05483	0.5
93.07034	0.8
95.08609	1.2
97.02897	1.0
98.22739	0.5
103.49014	0.2
105.07038	1.3
107.08604	1.2
109.10156	1.1
115.03940	0.8
119.08529	1.2
121.10125	1.0
123.11705	0.3
131.08565	0.7
133.04967	1.1
133.10164	0.7
145.05016	0.4
145.10141	0.7
146.10477	0.5
147.11707	0.9
148.12053	0.3
151.03894	0.3
159.11713	0.7
160.11990	0.3
161.13304	0.4
162.13568	0.3
182.65431	0.2
201.16351	1.2
202.16756	0.8
203.17957	2.3
212.33925	0.3
219.17525	1.2
220.17805	0.7
221.19142	0.4
237.18501	0.5
238.18855	0.3
275.07510	0.3
317.08383	0.3
335.09515	1.5
417.18796	4.4
549.23047	100.0
550.23346	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	549.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01874	3.3
57.03455	2.8
61.02924	5.0
66.88474	1.7
67.05505	5.0
69.03435	12.4
69.07059	4.7
69.73592	3.6
69.73981	3.3
70.06605	1.9
71.04977	3.3
73.02912	2.8
81.03423	5.2
81.07055	4.6
83.04993	2.7
85.02908	26.5
91.05487	6.7
93.07030	6.0
95.08607	51.3
97.02897	13.7
105.07023	14.7
107.08611	6.7
109.02889	5.5
109.06583	1.9
109.10163	5.8
119.04964	2.9
119.08585	28.4
121.10145	12.2
123.08061	8.9
127.03925	6.3
131.08582	2.2
133.06494	6.2
133.10104	17.4
135.08037	2.2
135.11690	53.2
135.12654	3.5
137.09627	8.1
137.13258	6.5
145.05008	4.5
145.10179	3.2
147.08051	6.6
147.11691	24.1
149.09622	31.3
151.03928	18.5
151.05061	2.9
151.07561	3.7
156.09297	2.4
159.08051	2.0
161.13257	74.8
171.11705	7.5
174.10435	7.0
179.14262	11.9
189.12743	66.1
191.14397	3.2
207.13808	100.0
208.14188	2.4
225.14784	4.8
299.09216	6.9
322.36075	2.2
373.41339	1.8
387.20374	3.4
399.11835	2.2
549.20447	7.5
549.29456	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	549.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44800	1.2
55.00105	1.0
57.03432	6.7
58.13347	1.0
63.09441	1.2
67.05497	3.1
69.03431	20.2
69.07067	2.0
69.46185	3.0
69.46573	1.8
71.04996	2.9
79.05499	3.6
80.75069	1.1
81.03411	2.3
81.07051	8.6
81.41039	1.1
85.02908	21.8
87.00824	3.1
87.04467	11.8
91.05472	6.1
91.95226	1.0
93.07048	17.2
95.08611	12.7
96.58775	1.2
97.02892	19.5
98.83469	1.4
99.04435	2.9
105.01878	4.1
105.07037	20.9
105.07732	1.5
107.04953	1.4
107.08596	17.1
109.02892	1.9
109.10149	5.2
115.03927	20.3
117.07019	3.2
119.08569	9.5
121.10146	6.9
125.09727	1.3
127.03916	5.6
131.08566	19.8
133.04956	20.4
133.10126	5.6
135.11700	4.0
137.05992	1.8
139.03877	1.7
142.38025	1.2
145.04953	7.0
145.10114	28.7
147.11751	2.2
159.11697	15.1
161.13255	3.8
163.06026	2.6
163.11137	1.6
167.06979	1.3
173.13280	10.3
175.14923	2.1
189.16347	2.8
190.09506	1.4
191.10687	6.7
191.17990	2.3
201.16382	83.2
202.16745	2.8
203.17966	2.0
205.04803	1.5
219.17439	100.0
220.17787	2.1
231.04951	2.8
237.18501	57.9
255.19652	1.7
259.08200	1.2
265.07159	2.2
295.10248	3.4
314.22794	1.2
321.16940	1.4
333.20395	1.5
363.21368	1.1
381.22632	3.7
399.23572	6.0
549.16675	1.7
549.24915	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.319
Annotation	(+)-Reblastatin
Peak:m/z	Relative Intensity
53.99640	0.5
65.40788	0.4
67.35677	0.5
67.38755	0.5
69.24290	2.7
77.35131	0.4
84.29328	0.4
89.11171	0.5
95.28693	0.5
168.04219	0.7
344.00232	0.5
506.41449	0.5
519.26697	0.5
533.31421	1.0
534.29456	1.3
548.45276	0.6
549.31805	100.0
550.32300	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	549.3189
Annotation	(+)-Reblastatin
Peak:m/z	Relative Intensity
52.06021	1.2
67.35660	1.1
68.74908	1.1
70.87608	1.1
74.48171	1.1
88.33512	1.2
95.08614	1.6
168.70467	1.3
190.87279	1.3
521.32526	8.4
549.31848	100.0
550.32166	5.1
573.60254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3187
Annotation	(+)-Reblastatin
Peak:m/z	Relative Intensity
65.49879	0.3
69.21741	1.5
69.22168	1.1
98.22668	0.5
98.23352	1.2
107.60109	0.4
137.05992	0.8
151.07555	0.9
152.07927	0.6
153.05562	0.4
167.07147	0.8
183.06577	0.5
189.05315	0.7
455.23947	0.5
521.32202	1.4
532.36212	0.6
549.31830	100.0
550.32330	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	550.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03945	0.4
55.01879	1.0
55.08029	0.4
55.82123	0.3
72.41088	0.4
77.03928	1.9
79.05481	0.6
83.04878	0.4
94.06564	5.7
95.04961	3.0
95.29581	0.4
96.04483	0.8
104.04993	6.6
105.04528	1.2
106.06541	0.6
108.04487	0.8
110.06226	0.4
132.04454	4.3
134.06010	5.8
136.03923	1.1
136.07562	7.5
138.05508	1.7
146.05969	1.1
150.05528	1.3
152.07045	0.5
154.08669	0.6
160.03908	3.9
162.05481	2.4
167.07361	0.6
168.08054	0.6
178.04984	50.9
179.05443	0.9
180.06549	2.4
181.07507	0.7
182.08331	0.9
183.09131	1.7
184.07449	0.9
188.03423	11.2
188.06996	1.2
195.09230	1.8
196.07492	0.6
196.09920	1.2
197.10738	2.6
199.06317	0.7
199.08655	0.7
201.68333	0.5
206.04489	5.8
207.09180	1.1
209.10744	3.0
210.07878	1.4
210.11404	0.6
211.08713	1.9
211.12309	1.3
213.10114	0.9
219.09227	0.8
220.05995	1.9
220.10019	0.5
221.07141	1.0
221.10774	0.8
222.07903	1.7
223.08577	5.6
224.07173	0.7
224.09380	1.4
225.10197	3.8
227.08237	0.6
228.08931	1.8
235.08699	1.0
236.09431	1.7
237.06541	1.3
237.10211	5.4
238.07378	2.4
238.10992	2.0
239.07913	1.1
239.11758	1.4
241.09781	1.2
249.10208	1.6
250.07387	0.8
251.08173	8.6
252.09009	1.9
253.06110	1.9
253.09715	6.4
255.11401	0.5
257.09198	2.5
263.08008	0.7
264.08871	1.4
265.09671	9.9
266.06958	4.2
266.10440	4.8
267.07700	6.1
267.10950	3.4
269.09241	1.2
271.10724	1.8
277.09723	0.9
278.07007	0.6
279.07660	8.8
280.08301	1.5
281.09250	4.4
284.11530	5.8
293.09183	15.3
294.06384	2.7
294.09979	13.1
295.07092	2.0
295.10764	7.1
297.08798	2.9
297.11600	0.5
299.10251	5.4
307.07114	18.0
311.10342	1.5
313.11823	7.5
321.08694	6.6
323.10229	4.6
324.07443	1.3
325.07959	0.5
326.08801	1.1
331.12875	12.0
339.09738	47.7
340.10101	1.5
341.11200	2.2
349.08246	8.1
355.12888	0.6
367.09229	24.3
385.10281	100.0
386.10587	3.5
456.15390	0.5
500.14493	3.4
518.15771	0.5
532.17053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01873	5.8
57.03429	6.2
61.02933	5.2
68.99789	2.5
69.03428	39.0
70.59462	1.7
71.04986	3.6
73.02914	6.1
81.03413	25.1
83.01307	0.9
85.02901	100.0
87.00828	47.9
91.03940	1.6
91.05468	1.3
95.05023	0.8
97.02890	41.5
99.04453	12.6
103.03960	1.0
103.05486	0.9
105.01862	86.1
105.07022	2.0
106.82972	0.8
107.08565	0.9
109.02878	36.7
109.03646	1.8
115.03873	1.2
117.01869	1.9
119.04894	1.6
119.08612	1.2
121.06517	2.7
123.41202	0.8
127.03912	85.8
129.01865	3.0
129.05399	0.9
131.08521	3.8
137.05966	2.6
139.03860	2.0
143.08601	1.1
145.04953	40.9
147.02931	2.1
147.04422	3.3
149.05942	1.2
159.02892	15.0
159.08081	1.5
160.08731	1.1
161.06023	1.7
162.06781	3.5
163.06099	1.1
163.07530	3.8
163.11188	3.3
165.05602	1.9
173.09613	1.0
173.13263	2.9
176.08278	5.0
177.03972	1.3
189.03946	2.4
191.10658	88.5
191.14119	3.9
196.42860	0.9
207.13770	1.1
209.08101	7.2
209.11726	3.3
213.03932	10.5
222.75862	0.8
231.04988	40.0
249.06032	16.6
253.07063	3.5
271.08130	3.2
357.08072	1.4
375.09177	1.5
393.10220	2.2
491.82275	1.0
550.21289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95346	1.0
53.03948	5.6
55.01870	4.7
55.05517	1.1
57.03436	5.7
61.02924	6.7
66.60749	1.0
68.99781	2.0
69.03435	35.3
71.05000	5.3
73.02909	7.3
74.42466	1.1
81.03421	23.1
81.07069	2.2
83.04978	1.8
85.02908	100.0
87.00832	45.3
87.04478	1.2
91.03966	1.9
93.07033	1.5
95.04957	1.4
95.08618	1.9
97.02901	35.2
99.04444	11.7
105.01866	80.3
105.07034	9.8
106.07299	1.2
109.02879	24.0
110.06716	1.3
115.03905	3.2
117.01867	2.6
121.10114	1.7
127.03920	79.7
128.04243	1.4
129.01831	3.3
131.08534	2.2
131.65771	1.1
133.06433	1.2
133.10094	1.4
137.05978	1.3
145.04961	29.6
145.10103	2.6
146.10472	1.6
147.02905	2.7
159.02879	10.7
189.03947	4.6
191.10663	3.3
201.16306	5.4
202.16716	3.5
213.03984	6.3
213.09081	7.0
215.65970	1.1
219.17477	5.4
220.17780	5.5
221.39001	1.1
226.72099	1.1
231.04997	42.4
231.10162	2.1
237.18477	2.6
238.18867	3.0
249.06056	14.6
283.13336	4.7
309.11243	3.2
335.11096	3.1
335.15002	1.3
353.12244	1.5
389.22266	1.7
393.10190	2.0
407.23434	6.2
425.24615	6.4
473.27814	2.5
491.29077	46.6
537.39624	1.3
551.31177	2.0
578.54620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.3
55.01875	8.1
57.03439	7.5
61.02929	7.5
62.94315	0.8
65.24210	0.8
68.99780	2.3
69.03428	37.8
69.35702	4.0
71.01336	1.2
71.04987	4.7
73.02921	5.9
81.03417	26.8
81.07102	1.2
83.01331	1.0
84.08157	1.2
85.02905	100.0
85.06556	1.0
87.00831	49.1
87.04433	1.5
91.03962	2.2
91.05483	2.3
95.08624	1.3
97.02256	2.2
97.02893	45.3
98.23531	1.7
99.04459	14.1
103.03878	1.4
105.01867	83.9
105.07052	1.7
106.23310	0.9
107.04939	1.5
107.08643	1.1
109.02877	34.8
115.03931	1.3
117.01839	2.2
119.08604	2.2
121.06501	4.7
123.04442	2.1
125.02318	1.0
127.03915	87.5
129.01866	3.1
131.08546	4.6
133.10139	1.4
133.96242	0.9
135.08020	0.9
137.05957	10.9
139.03925	1.4
145.04956	36.8
145.10133	1.3
147.02855	1.4
147.04454	1.8
149.05997	2.2
151.34505	0.8
159.02896	12.0
159.08034	1.4
160.08890	2.9
161.05989	2.4
162.06706	4.9
163.06145	1.6
163.07556	4.2
163.11211	3.6
165.05409	1.0
165.09145	2.5
171.02904	0.9
173.13304	1.3
174.06834	1.3
176.08394	5.0
177.05528	1.7
180.84973	0.8
189.03969	2.7
191.10666	98.1
209.08286	1.4
209.11728	18.9
213.03937	11.0
215.10901	1.0
231.04994	41.5
247.06091	1.0
249.06053	19.4
253.06970	4.3
271.08203	2.2
273.76773	1.0
279.12143	1.1
339.18002	1.2
357.08054	2.5
375.09244	1.6
393.10226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01865	3.0
55.05485	1.5
57.03427	2.8
61.02913	2.8
65.22738	1.2
68.99802	1.3
69.03437	10.1
69.07063	3.5
71.04981	2.0
73.02940	3.1
79.05474	2.5
81.03402	7.8
81.07053	4.1
85.02900	21.7
87.00837	9.1
91.05489	2.2
93.01737	1.4
93.07036	2.1
95.04967	1.6
95.08586	2.8
97.02890	13.9
99.04433	3.4
100.07583	1.9
105.01844	5.4
105.07028	4.9
107.08590	4.3
109.02876	10.7
109.80618	1.2
115.05470	3.5
117.01829	1.4
117.07024	2.6
119.08612	2.8
121.10166	1.8
123.04411	1.6
127.03912	14.3
128.26932	1.2
133.10132	1.8
145.04961	8.0
145.06419	1.5
145.10054	1.8
147.04367	1.6
147.08035	11.4
147.11659	3.1
149.09621	1.8
151.03891	1.6
159.02911	7.0
161.06009	1.9
163.14861	2.3
165.09219	1.5
175.07533	13.0
176.08313	14.4
177.05542	2.3
177.09148	2.2
179.06995	2.2
179.10629	4.0
181.04906	1.5
182.68828	1.2
191.10660	3.6
192.07767	3.8
198.89557	1.3
203.06938	2.2
203.17982	6.5
207.10158	74.8
208.10506	1.5
209.11763	1.7
221.08012	1.8
221.11781	2.1
225.11247	2.6
235.09654	100.0
236.10175	1.4
239.09308	1.7
253.10704	10.0
267.12280	49.0
268.12543	1.3
277.10934	1.4
285.13248	3.6
291.12225	4.7
331.33820	1.2
333.30887	1.5
339.18301	1.4
377.95221	1.4
461.14371	1.7
511.00366	1.4
550.19568	9.5
550.35492	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01868	0.7
57.03427	1.1
57.90831	0.3
61.02920	1.2
67.05489	0.7
69.03424	3.7
71.05001	0.4
73.02901	0.6
80.29987	0.3
81.03427	3.2
81.07069	0.4
85.02901	12.5
85.11603	0.4
87.00829	4.3
91.03944	0.4
91.05465	0.7
97.02892	5.2
99.04443	1.3
100.03632	0.4
105.01868	9.4
105.02543	0.7
106.07462	0.4
107.04954	0.8
109.02860	4.1
110.66255	0.3
121.06512	3.2
123.04438	0.9
127.03920	10.4
129.01825	0.5
129.07002	0.4
131.08545	3.7
135.04413	0.4
135.08047	0.8
137.05960	3.9
145.04965	5.1
145.06178	0.5
145.06509	0.4
147.04419	1.0
149.05995	0.9
158.07213	0.5
159.02922	1.8
159.08086	1.7
160.08832	0.8
161.05988	1.2
162.06776	3.9
163.06119	0.5
163.07498	3.3
163.11165	2.4
165.05490	0.6
173.13226	0.6
176.08321	5.3
182.99069	0.3
189.09129	0.5
191.10661	100.0
192.11035	2.3
203.10736	0.5
209.08118	1.3
209.11708	4.6
213.03957	1.5
215.10652	0.6
231.05008	4.2
233.11729	0.5
249.05978	1.8
253.07359	0.5
257.11716	0.4
317.13660	0.4
412.36813	0.4
550.22076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21806	0.9
51.28648	0.8
52.90747	0.8
57.03447	1.6
57.07078	33.3
57.29349	0.8
67.05505	1.6
69.03432	3.9
69.07063	1.1
69.24749	4.5
77.50970	0.8
79.05482	1.3
81.03439	1.5
81.07050	3.6
85.02901	8.2
85.06544	28.0
91.05493	1.8
93.07042	1.1
95.08612	3.3
97.02929	4.8
105.07027	2.6
107.08576	2.5
109.10151	2.2
115.03910	2.8
118.96815	1.0
119.08575	3.8
121.10126	2.0
127.03870	1.7
129.87801	0.8
131.08562	1.1
132.31630	0.8
133.04974	2.4
133.10135	1.9
139.03889	2.1
143.08673	0.8
145.04951	2.4
145.10141	1.7
147.04399	0.9
147.11690	3.2
155.11110	0.8
159.11729	1.0
161.13277	1.3
191.10600	1.7
203.18011	8.1
209.11732	100.0
210.12025	1.6
219.17555	1.2
221.18994	1.7
267.12186	1.0
295.10349	1.1
339.44049	1.0
422.57703	1.0
505.68704	1.0
521.11871	0.9
568.00372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05511	8.9
56.88659	1.2
57.03440	1.7
60.60985	1.3
63.83086	1.2
65.03934	1.4
67.05514	3.1
67.19192	1.2
69.03432	8.0
69.07057	3.0
69.66167	2.9
69.66479	1.3
71.05009	2.3
77.03934	1.3
79.05494	14.3
79.18709	1.2
81.03402	2.9
81.07064	6.8
83.04979	1.7
85.02904	16.7
87.00828	27.4
87.04461	4.1
87.33438	1.2
90.80420	1.2
91.05473	23.0
93.07043	83.1
93.14986	1.4
94.07349	1.5
95.04967	10.0
95.08604	4.3
96.85890	1.3
97.02891	100.0
98.03239	1.4
105.01875	12.3
105.04510	4.1
105.07040	10.1
107.08593	59.1
108.08927	1.6
109.06509	2.3
109.10150	2.4
115.03926	4.5
119.06061	1.9
119.08596	4.8
121.10180	3.1
127.03915	3.5
133.04956	3.4
133.10120	2.6
135.11691	29.7
137.06009	1.8
147.11688	3.6
148.66579	1.3
159.02853	2.3
173.70102	1.3
176.08231	1.5
177.21837	1.3
181.04909	2.4
183.06403	1.6
193.08615	3.4
196.07281	3.6
201.03938	40.7
203.17958	7.7
207.10124	6.1
209.08087	1.7
210.08904	1.5
211.09679	2.1
219.04997	17.8
224.10439	5.4
224.76192	1.3
236.07599	1.5
247.21803	1.4
249.14806	3.5
267.12262	31.4
267.15836	7.2
267.19479	1.7
268.12613	1.6
336.90900	1.5
345.08127	11.0
363.09021	6.2
456.26794	1.8
486.62466	1.5
550.23212	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	550.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01631	0.2
55.01876	0.9
55.05512	0.4
57.03439	1.9
57.43722	0.2
61.02928	3.2
67.05500	0.4
69.03060	0.4
69.03430	7.4
69.07066	0.2
69.44692	0.3
69.45018	0.9
71.04994	0.9
71.08635	3.2
73.02915	1.4
79.05499	0.7
80.14309	0.2
81.03424	3.0
81.07056	0.4
83.01342	0.3
85.02905	36.1
87.04482	0.9
91.03959	1.6
91.05473	0.6
93.07049	0.5
95.04988	0.4
95.08604	0.4
97.02897	10.0
98.23426	0.4
99.04448	1.4
101.02390	0.3
103.03946	0.9
105.07066	0.4
107.04951	2.5
109.02875	3.0
109.06458	0.3
109.10158	0.2
115.03929	0.8
119.08545	0.3
121.06518	0.8
124.05213	5.6
125.06063	0.4
127.03916	8.6
133.04962	0.4
135.07945	0.2
135.11658	0.3
135.34624	0.2
137.05991	0.8
139.07541	35.1
144.06548	0.3
145.04956	14.9
146.05330	0.2
147.11732	0.2
148.05171	0.2
149.07089	0.3
150.06776	0.2
162.07664	0.2
163.06035	4.4
163.07364	0.4
165.09120	1.2
177.09105	0.3
189.09105	0.2
189.40976	0.2
203.17932	0.9
209.15364	100.0
210.15680	1.4
221.15314	0.7
221.19038	0.8
233.15367	3.0
239.16475	0.4
239.19981	0.6
245.15340	1.1
247.17021	0.3
251.16409	1.8
260.14066	0.3
275.16373	2.7
317.17447	0.7
325.11105	0.3
335.18524	3.5
353.19589	0.4
371.20868	0.2
446.02814	0.2
463.20111	0.2
477.54822	0.2
550.28223	0.7
551.24408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05500	1.1
57.03423	2.1
57.07076	25.9
61.02914	2.0
69.03432	5.4
69.07072	0.7
69.69791	0.5
70.33506	0.6
70.33843	1.0
73.02908	1.5
78.37021	0.4
79.05479	0.9
81.03401	1.7
81.07054	1.9
85.02903	23.4
87.04467	1.5
91.03933	0.8
91.05470	1.5
93.07033	1.8
95.08579	3.5
97.02892	9.8
99.04455	0.9
105.07027	2.2
105.76852	0.5
107.08605	1.8
109.02890	2.6
109.10151	2.4
111.04438	12.3
115.03897	2.5
119.08580	1.9
121.10170	1.6
127.03921	6.9
133.04950	2.1
133.10114	1.3
135.04379	1.0
137.05943	0.8
145.04959	11.8
145.10124	0.5
147.11693	2.9
161.13196	0.8
163.06053	4.0
165.12724	0.8
175.14856	0.5
201.16325	0.8
203.17975	6.7
209.15361	100.0
210.15639	1.1
221.15318	0.8
221.18997	4.4
233.15334	2.1
239.20049	1.1
245.15436	1.0
251.16423	2.1
259.08148	0.8
275.16385	2.2
305.17465	0.5
317.17490	0.6
331.67542	0.5
335.18524	1.8
371.20599	0.6
419.20432	0.9
446.43137	0.5
550.23547	0.9
551.24670	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	550.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
63.58348	0.3
67.05511	2.0
69.03419	1.2
69.07050	1.3
69.59086	0.3
71.43652	0.4
79.05496	2.2
81.03405	0.5
81.07052	2.3
85.02906	2.1
91.05475	7.5
93.07049	1.0
95.04929	0.4
95.07922	0.3
95.08602	0.9
97.02863	0.8
105.07033	9.3
107.08600	2.2
115.05430	1.1
116.06224	1.4
117.07040	3.9
119.07750	0.7
119.08583	14.0
121.10122	1.1
127.03912	0.7
128.06201	1.5
129.06995	6.3
130.07776	1.4
131.08566	23.9
133.10129	6.5
135.08031	0.5
142.07814	1.0
143.08559	15.6
144.09346	5.2
145.04962	0.6
145.10127	13.7
147.11673	1.8
149.13232	1.0
156.09363	1.0
157.10077	1.1
158.09592	0.9
158.10915	17.3
164.49696	0.4
171.11635	0.5
173.13257	100.0
174.13600	1.4
175.14824	11.2
191.14305	23.1
193.15872	0.6
209.15369	1.5
236.41020	0.4
349.08060	0.4
493.37207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
55.05513	3.4
57.03441	4.8
57.07069	1.6
61.02918	1.6
67.05507	9.2
68.41722	1.2
69.03432	16.5
69.07077	2.6
69.16748	8.2
70.35680	1.0
73.02921	4.7
79.05489	6.4
81.03423	1.4
81.07056	14.8
83.04967	1.9
85.02906	15.4
87.04462	7.8
91.05467	9.6
93.07047	13.9
95.08604	23.1
97.02894	17.4
98.22718	3.0
105.07032	16.0
106.07378	1.4
107.08587	20.6
109.10160	19.9
115.03929	15.4
119.08585	14.7
121.10155	13.0
123.11726	4.7
127.03928	5.1
131.08559	2.1
133.04987	14.4
133.10127	13.6
135.11665	14.1
139.03914	9.3
145.04996	4.9
145.10144	3.5
147.11693	16.4
149.13223	1.9
150.07658	1.9
151.07484	2.1
154.63063	1.3
157.10176	1.6
159.11774	3.1
161.13275	8.6
163.06050	1.8
163.14803	2.2
175.14893	3.3
182.54578	1.2
189.16362	2.0
201.16356	4.2
202.16725	2.3
203.17955	71.5
209.11751	2.6
209.18922	1.4
219.05029	1.5
221.18961	16.5
238.70819	1.4
239.20087	3.5
259.08194	2.1
260.08066	1.4
278.02286	1.1
295.10278	1.5
317.21228	1.4
335.09409	4.1
335.22061	1.8
419.20517	3.6
550.23621	14.5
551.24609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
57.03429	1.5
57.07071	0.5
65.03941	0.5
67.05166	0.7
67.05503	10.1
67.43439	0.5
69.03429	6.2
69.07058	3.0
69.27494	2.4
70.69891	0.5
73.02914	1.2
73.11589	0.4
79.05487	6.2
81.03417	0.7
81.07055	23.0
82.07365	0.5
83.08608	1.5
85.02901	6.9
87.04449	2.3
91.05473	6.8
93.07040	15.8
95.04950	0.6
95.08605	27.5
97.02889	5.2
97.10191	1.2
98.78318	0.5
105.07030	12.2
106.44609	0.4
107.08592	22.5
109.06480	0.7
109.10161	16.3
111.11667	0.5
115.03922	7.1
119.08578	10.7
121.10148	16.7
123.11713	6.4
127.03891	1.7
133.04961	6.3
133.10135	9.7
133.11130	0.5
135.11693	6.7
137.13306	0.7
145.04974	1.8
145.10152	1.2
147.11679	19.9
149.13257	1.6
150.07600	0.7
151.91566	0.5
159.11714	0.9
161.13261	8.9
163.14813	2.0
175.14825	3.3
187.30171	0.5
201.16377	0.7
203.17946	100.0
204.18268	2.1
205.19487	2.1
212.48747	0.5
221.18953	8.1
259.08139	1.0
287.20099	0.8
295.10138	1.2
299.20056	1.6
317.21191	1.7
335.22134	1.4
353.22968	1.1
383.24295	2.3
550.23175	4.8
551.24689	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	550.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
57.03442	3.7
61.02935	1.1
67.05506	7.5
69.03429	12.7
69.07066	2.6
69.17431	4.5
73.02928	1.0
79.05520	5.0
81.03430	1.3
81.07057	15.9
81.95882	0.9
85.02909	13.4
87.04461	7.5
91.05468	4.7
93.07046	8.3
95.04993	1.1
95.08607	20.9
97.02891	10.9
105.07034	7.2
107.08599	16.6
109.10155	11.1
111.04428	0.9
115.03911	8.6
119.08559	5.3
121.10148	12.6
123.11710	5.4
127.03916	2.4
129.05516	0.9
133.04971	7.5
133.10152	7.8
135.11667	5.2
145.04944	2.3
145.10144	1.4
147.11679	15.0
149.13268	1.3
153.84595	0.8
159.11635	0.9
161.13252	5.7
162.37651	0.8
163.14798	1.8
165.12798	1.0
169.05013	0.9
175.14879	2.5
189.16469	1.1
196.48067	0.8
198.50040	0.8
201.16417	1.5
203.17953	100.0
204.18340	1.6
205.19582	2.2
219.17458	1.0
221.18987	9.2
231.17566	1.0
233.19075	1.0
295.10068	1.2
299.20239	1.2
317.21225	1.8
332.07776	0.8
335.22260	1.8
418.44031	1.1
550.23309	7.1
551.24500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2827
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
64.75712	0.2
79.53597	0.2
142.48216	0.2
167.75584	0.2
185.04282	0.3
203.05301	0.5
252.76463	0.2
259.07910	0.9
289.96320	0.2
315.19199	0.2
331.10135	0.4
333.15363	0.2
362.85992	0.2
381.32623	0.2
389.22931	3.4
505.27563	0.3
551.28223	100.0
552.28625	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	551.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75030	0.3
64.84905	0.3
65.64323	0.3
69.10583	1.8
88.36131	0.3
99.05528	0.3
110.04560	0.2
218.76479	0.2
363.40414	0.3
389.23010	2.3
494.17935	0.3
551.28235	100.0
552.28442	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2829
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
57.15892	0.3
58.35518	0.3
62.68483	0.3
67.05521	0.4
74.79186	0.3
77.43410	0.3
78.46325	0.3
83.08611	0.3
91.05533	0.5
95.08634	0.3
125.29498	0.3
134.25269	0.3
142.01973	0.3
188.35596	0.3
203.05316	0.9
259.07928	1.1
389.22961	1.7
551.28265	100.0
552.28644	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	551.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38373	0.4
57.23860	0.4
69.79177	1.3
79.05482	0.5
98.23421	0.5
135.39485	0.4
141.75140	0.5
148.15594	0.4
154.08092	0.4
156.67137	0.4
185.04221	0.6
221.11507	0.5
251.12550	0.6
259.07904	0.6
277.14160	0.6
307.15109	0.5
330.37943	0.4
331.09903	0.5
353.15900	0.8
389.22916	2.2
472.96976	0.4
479.25958	0.6
487.25876	0.6
505.27536	1.0
551.28186	100.0
552.28485	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	551.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42407	1.5
70.50769	3.0
74.98346	1.6
81.07033	2.2
84.63316	1.9
87.56543	1.7
92.59258	1.6
93.06957	1.9
95.08601	2.1
137.05969	2.7
141.25438	1.5
146.19133	2.1
149.05946	2.0
149.83682	1.5
155.21024	1.7
163.07542	5.4
193.08641	1.6
193.11009	1.7
214.45291	1.9
236.06609	1.8
236.19901	2.3
246.41507	1.7
327.09103	1.7
352.75867	1.5
375.35260	2.2
450.23895	4.4
479.24112	8.0
529.51306	1.8
551.29810	100.0
552.30286	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	551.319
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
55.05494	1.0
59.02917	0.6
59.28908	0.5
67.05502	3.1
69.07049	0.9
71.05001	0.7
71.43285	0.6
79.05492	2.0
80.49261	0.6
81.03417	1.3
81.07064	2.7
81.84063	0.5
91.05493	1.8
93.07040	2.3
95.08608	1.5
97.06527	0.7
97.60482	0.5
105.07098	0.8
107.08614	1.9
119.28541	0.6
121.10146	1.8
131.08623	0.6
133.10167	0.7
149.13318	1.1
151.03922	0.7
173.04518	1.1
183.31003	0.5
233.11540	1.1
235.13097	0.9
267.15817	0.7
283.15121	10.4
291.15665	1.3
339.17743	5.1
354.27094	0.7
365.64294	0.6
381.04999	0.6
441.01636	0.6
491.29846	0.7
551.31915	100.0
552.32446	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	552.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98641	0.5
53.24740	0.4
57.03445	0.8
69.03420	1.8
69.07062	3.1
69.40039	1.7
71.08027	0.5
73.02908	0.6
79.05493	1.5
79.14839	0.4
81.03425	1.1
81.07018	0.6
85.02904	7.8
95.05007	0.5
97.02888	2.2
103.03951	0.5
106.01028	0.5
107.04957	1.7
109.02895	0.9
109.06509	1.2
111.04396	0.6
111.08057	0.6
121.06436	0.6
124.18169	0.5
125.06012	1.1
127.03932	1.2
129.05447	0.8
135.05496	0.5
137.05975	100.0
138.06317	1.3
139.07571	2.5
145.04939	1.8
149.06058	0.5
151.07567	2.6
160.05286	0.9
161.05975	5.6
163.06128	0.9
163.07541	4.4
174.06688	0.7
175.07532	3.4
177.09062	1.0
179.07047	1.3
187.07437	1.1
189.09047	0.7
191.10681	0.8
193.12241	70.9
194.12613	1.0
203.07059	2.3
205.12201	3.6
211.13297	36.1
212.13670	0.8
213.09042	0.5
215.10558	0.5
217.08694	0.6
217.12233	7.9
221.11740	3.2
223.09616	0.5
223.13350	1.5
229.12187	1.2
235.13269	5.2
240.16817	0.6
241.10570	1.1
245.08115	0.5
253.14445	0.8
255.13776	0.5
259.13275	3.6
263.09024	1.2
265.06885	0.5
269.10068	1.4
273.14697	0.9
277.14334	1.7
283.13300	1.6
284.13840	0.6
301.14362	1.9
309.11261	0.8
319.15411	4.6
337.16370	2.6
342.18781	0.5
355.17508	1.2
373.18427	0.7
390.22650	0.9
407.23160	1.5
407.46207	0.6
408.23477	3.0
424.93896	0.6
425.24240	1.4
426.24536	2.0
474.28101	1.6
491.29092	4.2
492.29416	28.4
493.28986	0.6
552.31897	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	552.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01877	0.4
56.00440	0.3
56.12490	0.3
59.28104	0.3
61.02923	1.1
66.15469	0.2
67.01859	0.5
69.03438	2.4
69.07070	3.8
69.89281	0.9
70.95827	0.3
71.04973	0.3
73.02927	0.7
77.03914	0.4
79.05496	1.6
81.03410	0.6
81.07060	0.9
85.02908	12.0
87.04477	0.3
91.03957	0.5
91.05465	0.4
94.04145	0.4
95.04967	0.7
96.82523	0.3
97.02911	2.9
98.22704	0.4
99.04436	0.3
107.04964	2.4
109.02898	1.2
109.06522	1.7
115.46310	0.3
122.03700	0.4
125.05991	2.3
127.03928	2.3
137.05981	100.0
138.06340	1.0
145.04965	4.8
151.03882	1.4
151.07533	1.3
161.05995	0.6
163.06000	1.7
163.07516	0.9
175.07530	0.5
181.04991	0.5
189.09254	0.4
193.12244	75.8
194.12544	1.1
201.05428	0.5
205.12218	1.7
211.13292	1.1
217.12247	1.9
219.10068	1.5
229.12285	0.5
235.13220	1.6
241.71268	0.3
259.13327	1.4
293.08118	0.4
297.11099	0.4
301.14270	0.5
307.09409	0.5
319.15479	1.9
325.10770	1.7
337.16245	0.7
343.11832	0.5
355.17493	0.5
445.78036	0.3
552.40668	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	552.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05869	0.3
53.03941	0.4
54.84933	0.3
55.01875	0.6
55.05512	0.3
57.03432	0.5
60.08506	0.3
61.02942	0.6
66.41241	0.3
69.03435	1.7
69.07073	3.4
70.64320	0.7
73.02924	0.3
74.44514	0.3
79.05497	1.2
81.03416	1.1
81.07050	0.6
85.02912	7.5
91.05482	0.5
95.04951	0.4
95.08605	0.4
97.02909	2.3
99.04456	0.7
105.07034	0.6
107.04955	1.5
109.02869	0.7
109.06542	1.0
111.04486	0.4
114.35225	0.4
121.06459	0.4
123.04427	2.3
123.08172	0.4
125.06004	0.9
127.03920	1.8
137.05983	100.0
138.06343	1.1
139.03847	0.4
145.04965	2.0
147.08066	0.4
151.07558	2.5
161.05977	6.3
162.06654	0.4
163.06131	0.6
163.07562	1.9
174.06773	0.5
175.07542	2.4
176.04680	0.3
177.09123	0.4
179.06976	1.8
184.06122	0.7
189.05550	0.4
189.12648	0.3
193.12251	66.9
194.08841	0.4
194.12584	1.2
203.07042	2.4
203.10681	0.4
205.12253	1.8
209.11700	0.4
211.13298	37.1
215.10745	0.7
217.12256	5.2
221.11758	2.5
223.13246	0.6
226.06799	0.4
229.12236	1.3
231.13802	0.6
235.13341	3.3
253.14348	1.4
259.13284	3.3
263.09097	0.9
277.14349	2.5
283.13342	0.5
301.14447	2.2
319.15457	4.6
337.16406	1.8
355.17520	0.9
373.18527	0.6
375.56525	0.3
416.87881	0.4
552.16766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46626	0.3
55.01881	0.3
57.43036	0.4
61.02928	0.9
64.29132	0.3
67.01860	0.5
69.03434	0.9
69.07066	5.6
69.13483	1.9
71.91034	0.3
79.05482	0.9
81.03425	0.4
85.02910	5.2
95.04965	0.7
97.01659	0.4
97.02884	1.6
98.22711	0.6
98.50086	0.3
107.04955	1.2
109.02898	0.5
109.06509	1.1
117.33397	0.4
123.04436	0.4
125.06026	2.3
127.03909	0.9
129.28758	0.3
135.05508	0.5
137.05974	94.9
138.06274	1.6
145.04935	0.7
151.07501	1.0
161.05989	0.4
163.07550	0.5
175.07446	0.7
179.07042	0.5
193.12239	100.0
194.12593	2.0
205.12277	1.1
211.13245	1.4
217.12241	2.0
229.12177	0.4
235.13327	1.8
259.13269	1.2
283.13248	0.4
301.14240	0.5
319.15393	2.1
326.96710	0.4
337.16211	0.9
355.17307	1.2
357.29587	0.3
445.62888	0.3
546.86761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
53.89360	0.2
55.05501	1.0
57.03431	1.0
57.07071	1.4
65.03938	0.4
67.05499	3.3
69.03424	2.5
69.07065	2.7
71.04990	3.4
71.43517	0.3
72.05328	0.5
73.02918	0.3
79.05490	7.2
81.03429	1.0
81.07054	100.0
82.07394	1.0
83.05011	0.7
85.02901	9.7
86.03244	0.7
87.00826	14.6
87.04472	1.8
91.05491	0.4
93.07045	1.1
95.04967	1.2
95.08603	16.2
97.02889	58.7
98.03224	0.6
104.04981	0.7
105.01864	8.8
105.04519	0.5
107.08572	0.6
109.10140	1.3
114.72846	0.3
115.03944	1.6
120.04401	0.6
123.11694	0.3
127.03918	1.0
129.05481	2.2
130.05850	0.6
134.05988	0.9
135.11691	0.3
136.07642	0.3
137.13248	21.7
138.05452	0.6
139.03917	0.7
144.04375	0.4
145.04909	0.9
147.06499	0.9
154.15866	0.7
163.06033	0.3
172.03883	0.8
178.04977	6.9
190.04950	1.6
190.75964	0.3
201.03932	27.7
203.17917	0.3
219.04993	10.6
222.07674	0.4
224.09314	0.3
224.35217	0.3
231.67499	0.3
235.08534	0.4
236.07440	0.6
237.10216	0.7
248.09366	0.4
249.10167	0.9
250.07379	0.5
251.08083	1.2
251.11681	0.6
263.08072	0.8
264.09024	0.4
265.09613	1.1
269.09003	0.3
277.09540	0.7
278.06677	0.3
278.10052	0.3
279.11197	1.0
281.09174	0.6
283.10748	0.7
291.07477	1.1
292.08182	0.3
295.10788	0.4
296.07794	0.6
297.12268	0.7
305.09030	0.5
307.10709	0.6
309.08646	0.6
319.10052	0.4
323.06720	0.4
323.10223	5.3
325.11722	0.6
339.13205	0.5
341.11218	1.0
345.08139	9.0
351.09625	1.8
355.13037	0.4
357.14325	1.2
362.64908	0.3
363.09210	4.1
369.10803	3.9
383.12311	2.6
384.12946	0.3
387.11725	1.1
440.15762	0.7
456.15335	0.5
458.16986	0.4
474.16162	0.8
484.14548	1.1
502.16132	2.1
516.17297	0.8
520.16516	0.6
534.18787	3.5
535.18823	0.3
553.25647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05512	7.5
59.04991	0.5
61.02920	2.9
65.03925	0.9
67.05515	4.1
67.76569	0.6
69.03439	3.5
69.07073	10.3
69.26411	3.7
70.06592	2.0
71.04998	8.2
74.23273	0.7
79.05492	2.7
81.03420	1.6
81.07056	11.2
83.04997	0.8
83.08625	4.2
85.02905	7.9
86.06070	6.2
87.04485	2.0
90.09534	0.6
91.03963	1.6
91.05477	11.9
93.07037	4.8
95.04962	1.4
95.08605	8.0
97.02902	2.7
98.06050	7.0
103.05458	1.4
105.06348	1.4
105.07031	19.0
107.08599	15.6
109.02874	0.9
109.10166	2.1
112.07563	0.8
117.07018	3.7
119.08583	92.6
120.08919	0.7
121.10130	5.0
121.36214	0.6
123.11732	1.4
124.07590	2.6
127.03905	3.1
131.08594	2.3
133.10138	26.6
133.11157	1.4
145.04961	2.3
145.10117	2.3
147.11700	3.3
151.11182	4.5
160.12433	0.8
163.06015	1.3
171.11652	0.7
173.13290	1.1
173.29291	0.6
175.14827	100.0
176.15169	1.9
180.44487	0.6
215.09155	4.3
233.10167	5.6
236.16441	7.0
316.07880	0.6
326.04898	0.6
328.21243	0.9
333.15790	0.7
346.22256	18.7
390.24826	3.1
426.48309	0.7
508.27664	12.2
524.90112	0.8
552.20782	3.8
552.29865	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	552.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	1.3
51.02385	1.8
53.03947	3.7
55.01872	1.5
59.04974	0.9
61.15587	0.6
63.48118	0.6
65.03943	0.6
67.05514	0.6
69.03447	0.7
69.55835	2.7
73.06549	2.3
77.03906	4.1
81.03402	1.0
81.07067	1.8
85.02898	0.7
87.04477	11.5
89.06039	70.5
91.04941	1.4
91.05488	20.8
91.07552	1.0
91.24820	0.6
93.07053	37.2
95.04977	17.5
95.05419	0.4
95.08611	1.5
97.02900	0.8
98.23476	1.4
103.04853	1.0
103.05479	11.1
105.04530	8.3
105.07001	0.8
107.04948	0.7
107.07091	1.1
107.08596	1.0
109.10187	1.0
117.07012	0.6
117.09171	1.3
119.04947	3.8
119.08552	3.3
119.42790	0.9
121.06514	100.0
121.72003	0.7
122.06832	1.1
131.07043	5.1
133.08614	50.2
135.08069	1.6
136.06184	2.5
147.08054	6.3
149.09615	2.1
159.10207	1.6
163.07497	0.8
163.11165	1.3
165.09129	40.4
167.10680	1.2
175.09679	2.5
177.11224	17.4
179.05447	0.8
191.10689	2.9
193.12274	1.7
209.11752	20.0
221.13914	3.4
227.08226	1.5
234.13608	1.0
235.13359	1.4
240.08974	1.8
241.09787	2.7
253.09703	1.1
253.14360	3.0
255.15981	1.0
258.79434	0.7
281.09268	2.0
283.17612	1.1
287.22153	0.7
297.16922	0.9
299.10318	4.8
300.10974	1.5
313.11853	1.6
327.20282	0.7
341.19678	1.6
350.24570	0.7
373.14056	8.6
385.10556	0.8
386.10641	1.1
387.11035	1.2
388.65045	0.8
401.13373	1.5
491.28668	0.9
535.31232	9.8
552.33673	2.2
553.26062	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	552.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33460	1.5
55.05499	4.5
57.07074	3.4
67.05497	6.1
67.67648	1.5
67.92054	1.6
69.07059	3.8
79.05500	8.3
81.07079	8.5
83.04971	2.0
89.53896	1.8
91.05465	14.1
91.74872	1.8
93.07043	19.8
95.04929	1.9
95.08606	10.5
97.10171	2.8
98.22617	3.6
105.07021	20.5
107.04940	2.9
107.08586	12.6
109.06547	6.1
109.10152	6.9
115.05440	1.5
117.07012	6.3
119.08565	23.3
121.06512	5.4
121.10146	14.2
123.08076	2.5
128.06229	2.7
129.06992	6.3
131.08578	8.8
133.06450	2.2
133.10124	13.9
135.08052	7.0
135.11722	8.7
137.09604	6.7
141.06973	7.7
142.07808	3.3
143.08559	14.3
145.06468	2.1
145.10086	10.5
147.08025	2.7
147.11690	7.3
151.11205	3.8
153.06923	2.3
155.08533	17.8
156.09314	2.5
157.10127	16.3
159.08061	4.9
159.11699	6.7
161.09616	3.9
161.13216	2.5
165.06985	4.2
166.07768	3.5
167.08551	5.8
168.09264	3.2
169.10110	16.4
170.10869	5.8
171.07951	2.3
171.11652	9.4
173.09644	2.9
173.13252	4.0
175.11191	4.0
178.07724	3.0
179.08549	10.7
180.09297	3.1
181.10146	14.4
182.10922	4.4
183.08046	2.3
183.11670	18.0
185.09698	2.6
185.13260	17.0
187.11198	4.3
189.12711	4.3
191.08572	2.6
192.09286	6.0
193.10141	10.8
193.12100	13.1
195.11658	13.5
196.12424	3.5
197.09547	3.7
197.13234	19.1
198.13974	1.6
199.11201	2.9
201.12779	5.5
203.14345	3.1
205.10349	2.1
205.12228	2.4
206.10843	4.4
207.11670	18.9
208.12439	1.7
209.13290	6.7
211.11174	5.3
211.14825	13.4
215.14357	3.3
219.11699	6.1
220.12402	2.9
221.13216	16.7
222.13991	6.0
223.14844	10.7
225.12708	12.3
225.16289	3.6
229.15897	2.4
233.13231	3.2
234.14035	3.7
235.14751	5.3
237.16357	7.3
239.14346	10.8
239.17867	8.7
241.15865	4.1
243.13843	3.9
248.15633	5.5
249.68820	1.7
250.55870	1.9
251.17896	3.9
253.15733	2.6
253.16927	2.0
253.19508	21.8
255.17285	2.3
257.15500	1.7
263.17926	40.7
265.16046	2.6
271.20612	4.4
281.18979	100.0
282.19144	2.1
297.18933	1.7
299.20035	82.6
300.20251	2.8
317.21115	6.8
323.20056	16.1
341.21097	44.1
342.21478	2.0
359.22223	20.3
401.23102	13.1
472.61148	1.7
475.30624	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	552.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
57.01309	1.4
57.07071	4.2
61.20872	1.5
67.05510	3.0
69.07077	2.8
69.48677	6.9
79.05516	3.6
81.07059	5.1
91.05464	2.6
93.07053	3.0
95.04973	1.9
95.08608	5.2
98.23408	3.1
102.68301	1.6
105.07009	1.8
107.04993	1.4
109.06500	1.8
110.44288	1.4
121.10125	1.6
123.04449	5.2
123.08093	2.8
125.05949	2.6
137.06006	6.6
138.06775	9.1
139.03905	5.5
139.07539	2.1
139.77934	1.4
145.10129	2.1
145.80812	1.8
149.05984	2.0
151.07553	16.0
153.05479	4.8
154.06247	45.6
155.03386	2.1
166.04857	2.6
166.06256	30.6
167.06999	7.4
168.07817	4.8
169.04987	1.9
169.08615	15.5
181.08612	36.7
187.44083	1.5
187.45746	1.6
191.10699	1.7
199.09462	1.8
207.10092	2.7
453.26462	3.0
459.31094	13.9
467.27789	3.4
470.26663	2.6
485.28983	100.0
486.29211	2.2
503.30121	9.6
535.32776	2.7
553.30975	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71619	0.5
57.19183	0.5
69.64273	1.6
73.94951	0.4
83.21272	0.5
94.93004	0.5
112.89561	0.7
120.94532	1.0
168.92090	1.7
186.93231	1.2
192.93030	1.0
206.17097	0.5
210.94067	100.0
211.94438	0.8
228.94194	3.3
246.95232	1.3
270.95230	2.0
300.96365	1.1
313.00470	0.5
330.97403	1.3
372.98459	1.0
381.07944	12.7
412.06781	0.5
553.04797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2411
Annotation	7-Isovaleroylcycloepiatalantin
Peak:m/z	Relative Intensity
71.04899	0.9
88.04385	1.0
89.25500	1.1
96.43680	1.0
98.23466	1.6
98.97574	1.2
103.36551	0.9
109.14818	1.0
196.07375	1.8
211.09615	1.4
214.31500	1.1
232.35764	1.2
369.68063	1.1
553.24109	100.0
554.24329	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	553.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94514	0.2
54.67608	0.2
68.25924	0.2
69.29053	0.8
69.29450	0.5
73.05626	0.2
81.07056	0.2
85.02926	0.2
87.00814	0.2
98.23433	0.5
105.07058	0.3
107.08597	0.4
119.08549	0.2
121.23737	0.2
127.03747	0.3
136.92297	0.2
137.05992	0.2
139.03870	0.3
175.73560	0.2
179.33917	0.2
180.18719	0.2
204.18324	0.2
246.03973	0.2
247.33398	0.3
248.07632	0.2
273.50226	0.2
317.08328	0.3
333.07843	2.5
333.11240	0.3
335.09457	4.0
368.35602	0.2
421.22180	1.2
485.20087	0.6
490.54752	0.2
553.26160	100.0
554.12854	0.2
554.26520	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	553.2778
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
69.50162	1.8
69.69452	5.2
98.22746	3.1
98.23312	4.2
98.97625	3.8
98.98430	2.4
107.11996	1.7
117.14095	1.7
126.92044	1.9
131.00166	2.3
188.30725	1.6
317.17847	3.4
354.00015	1.7
387.02283	1.7
494.96124	1.9
553.27728	100.0
554.28198	2.1
560.57092	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2774
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05503	1.3
56.81786	0.7
57.07066	1.6
64.99747	2.9
69.04555	2.4
69.07069	1.3
79.57514	1.1
81.07068	1.1
95.08603	0.8
102.07396	0.8
109.10171	1.3
123.04343	0.9
125.05973	1.2
131.08600	0.9
161.16399	0.9
180.02022	0.7
263.14786	0.8
324.60809	1.0
374.94397	1.0
553.27704	100.0
554.27960	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	553.2983
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
69.53066	0.7
69.53430	1.3
75.23849	0.4
81.11519	0.4
98.23389	0.7
98.99765	0.3
109.10110	0.5
130.29459	0.4
139.10103	0.4
166.40544	0.4
171.92055	0.4
217.44592	0.4
240.11491	0.4
259.08008	0.6
329.69336	0.4
391.24445	2.8
394.40439	0.4
401.73975	0.4
406.16592	0.4
415.49036	0.4
463.26749	0.9
481.27606	1.6
553.29773	100.0
554.30035	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	553.2983
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
66.92039	0.4
67.05536	0.7
69.19574	1.1
69.19988	1.9
74.62292	0.5
78.93657	0.6
84.01884	0.7
95.01076	0.6
96.01912	0.6
98.23525	1.0
107.08611	0.7
109.15903	0.4
157.04848	0.6
184.03430	0.5
185.04233	1.2
201.03717	1.3
203.05374	2.2
259.07977	2.1
331.10010	2.5
359.12909	0.9
373.14569	0.7
415.19165	1.0
422.51953	0.6
452.84711	0.6
455.22964	0.9
483.22134	1.8
553.29797	100.0
554.30237	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	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88860	0.3
67.05520	0.4
69.87533	0.6
69.87884	0.5
81.07060	0.4
86.81703	0.3
87.91145	0.3
97.02615	0.3
98.23371	0.6
130.15248	0.3
135.49084	0.3
156.03876	0.3
184.03439	0.5
185.04204	2.8
199.55406	0.3
201.03720	1.0
242.51711	0.3
251.12585	0.3
259.07913	0.5
260.16571	0.3
263.79233	0.3
275.07358	0.9
301.08865	0.5
321.17142	0.3
331.10062	2.7
345.11700	0.4
359.13370	0.6
373.14673	0.4
391.24307	1.1
415.19516	0.7
441.21045	0.3
455.22726	0.5
483.21970	1.3
535.28729	0.6
548.03986	0.3
553.29742	100.0
554.29974	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	553.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27507	0.4
70.94923	0.5
88.01854	0.5
134.71361	0.5
148.59683	0.4
149.40941	0.4
167.79636	0.4
198.94376	0.4
211.74126	0.4
228.47285	0.5
263.73877	0.5
293.12131	0.4
344.93198	0.4
348.74814	0.5
424.23785	0.5
553.31390	100.0
554.31641	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	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63656	0.9
51.36029	0.8
55.01880	1.5
61.02924	1.0
63.02384	0.8
65.03922	0.8
69.03432	4.1
71.05013	1.3
81.03417	2.8
81.07043	1.1
82.06560	0.9
85.02907	6.6
87.04430	1.2
91.05474	2.5
93.03391	1.1
93.07030	1.7
95.04990	1.8
95.08644	1.0
97.02902	5.2
99.04421	1.4
105.07027	1.5
107.04945	1.2
107.08594	1.9
109.02876	1.8
109.06519	1.2
109.10181	0.9
111.04430	1.1
115.03919	0.8
115.05480	1.6
115.75983	0.8
119.04916	1.1
121.06467	2.0
122.03650	2.1
124.07594	1.3
125.05972	1.9
127.03923	3.4
129.06943	1.0
131.04938	2.4
135.08093	0.9
137.05981	47.5
139.03943	1.7
142.08659	2.1
143.04918	2.4
145.04915	2.1
146.03612	1.3
149.05983	4.7
151.03914	2.0
151.07538	3.7
153.01859	1.4
153.05476	2.8
160.05193	1.2
161.05977	21.7
161.07327	1.2
163.07512	6.9
165.06984	5.3
174.06877	1.0
175.07539	10.1
177.05438	1.8
179.07022	3.2
179.08511	1.7
180.08633	0.9
181.06609	0.9
182.07263	1.2
188.04709	5.7
191.07028	10.8
193.06473	8.8
194.07054	1.8
195.08017	1.3
197.09601	2.1
203.07039	20.8
205.08594	4.8
207.06355	1.2
207.08046	2.9
209.08116	2.4
210.06805	5.1
211.07576	2.4
215.07063	1.7
221.05984	19.1
221.08020	1.3
221.09550	1.6
222.06516	1.6
224.08324	4.2
225.09087	20.9
227.07239	1.7
233.08047	1.7
235.07571	3.6
235.09676	2.6
237.09160	2.0
238.06189	7.0
239.06931	2.0
239.10643	2.9
242.09499	0.9
249.09190	4.4
251.06970	2.3
252.07846	3.5
253.08583	37.3
253.17828	1.4
254.09099	3.5
255.06506	2.0
257.08127	1.3
262.06186	1.1
263.06924	1.3
264.08008	0.9
265.08551	2.4
266.09357	2.3
267.10156	17.0
270.08850	6.4
271.19061	1.0
277.08554	8.7
278.09354	1.2
279.10211	0.9
280.07355	1.8
283.09692	3.2
285.11209	92.1
286.11578	2.0
291.10233	1.0
294.08896	3.9
295.09665	9.2
297.11197	10.2
299.12875	1.8
303.09998	1.1
307.09668	1.3
309.11206	17.7
311.12769	1.3
312.09988	1.5
321.11212	1.9
325.10635	2.0
327.12265	100.0
328.12521	3.9
331.15350	2.3
333.11130	0.9
339.12283	2.7
341.13950	1.5
343.43240	1.0
345.13318	79.2
346.13754	3.1
351.12207	6.1
357.13321	6.5
362.42273	1.0
363.11987	1.8
369.13440	1.9
375.11789	1.6
393.13235	2.1
405.13171	1.1
417.13156	2.1
421.12616	1.4
435.14264	6.4
453.15424	13.4
471.16489	15.2
472.16553	0.9
486.47217	0.9
489.17535	10.8
548.67834	0.9
554.28595	1.6
555.28101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
60.22104	0.6
61.02913	0.9
67.05486	1.2
69.03418	2.7
71.04971	0.8
76.40710	0.7
79.05491	1.4
81.03404	2.6
81.07049	2.3
85.02888	6.9
85.06544	1.9
91.05482	1.9
91.56641	0.7
93.07027	1.0
93.81966	0.7
94.04161	1.3
95.04970	1.5
95.08607	1.6
96.48209	0.8
97.02883	3.1
99.04477	1.0
103.05453	7.0
105.07040	0.8
107.04922	1.0
107.08596	1.2
109.02863	1.4
115.05454	2.6
117.07018	1.7
119.08540	1.1
121.02835	2.2
121.06505	2.4
121.10110	0.7
122.03633	2.9
127.03881	3.5
129.03699	1.3
129.06996	2.4
131.04912	14.4
135.04420	1.0
135.08022	1.3
137.05974	48.1
138.06293	2.0
139.03905	1.1
139.06424	0.7
143.04988	0.8
145.04974	1.4
147.08041	1.8
149.05937	1.6
151.03896	4.5
151.07516	1.1
153.01741	1.4
153.05408	1.2
157.06502	4.4
159.02882	0.7
160.05212	1.7
161.05968	10.1
163.07541	39.5
165.06976	1.0
174.06656	0.9
175.07539	100.0
176.07869	2.2
177.05441	1.4
177.16391	3.1
179.06961	1.3
181.04980	1.2
181.08540	1.1
185.05942	2.1
187.07564	0.9
188.04666	1.3
189.09116	3.0
191.07010	7.4
193.06494	2.1
193.08524	0.9
193.12158	1.8
194.12550	1.2
195.08072	0.9
197.09683	0.8
202.06113	0.7
203.07043	5.7
205.08578	10.5
207.08052	1.5
209.04440	2.2
209.08054	3.9
210.06865	0.8
213.18478	2.6
215.03775	1.5
217.08653	4.4
221.05946	6.3
224.08313	1.0
225.09056	6.8
233.08076	2.7
235.09644	65.1
236.10014	1.7
237.09023	1.3
238.06200	1.9
239.10638	1.8
249.09007	0.9
252.07681	0.8
253.08603	13.6
254.09395	0.9
265.08704	4.5
265.91403	0.8
267.10156	5.2
270.08859	1.6
271.09998	2.7
277.08600	1.7
285.11200	33.9
295.09570	3.3
297.11154	4.0
299.12860	1.2
307.09467	0.8
309.11148	5.3
312.10001	1.0
325.10553	2.5
327.12247	36.4
328.12384	1.4
339.12201	1.5
340.43805	0.7
341.10147	1.0
341.13861	12.1
343.17075	0.7
345.13330	34.5
346.13651	1.4
357.13367	5.4
423.92365	0.8
453.15262	1.0
471.16348	1.2
489.10519	0.8
489.17453	2.0
554.26086	2.6
555.20093	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
55.05504	1.3
56.16283	0.7
57.03438	10.3
58.94906	0.9
61.02926	1.3
62.68881	0.9
62.69284	0.8
65.03938	1.6
69.03423	2.3
69.16695	5.0
71.01343	0.7
71.04993	70.8
73.02909	1.9
75.04473	5.3
81.07082	0.8
83.04968	5.8
85.02903	100.0
87.04479	2.3
91.05479	93.3
93.07046	0.8
97.02912	4.7
99.04467	1.6
105.06987	0.8
111.04449	3.9
112.57596	0.8
113.92865	0.7
121.02917	1.8
127.03928	3.2
129.05475	41.6
145.04955	1.8
147.06512	23.1
148.06808	0.8
151.03847	1.0
175.26526	0.7
200.56055	0.7
218.06734	0.8
229.08583	4.2
255.08705	1.5
394.58395	0.9
554.26746	8.7
555.27356	1.1
559.12036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.77337	0.9
60.43886	0.8
67.05505	0.8
69.03443	2.4
69.07094	0.9
70.80585	1.1
70.80947	1.3
77.91095	0.8
81.03410	1.4
81.07066	1.6
85.02907	5.6
91.05471	1.6
93.07058	1.7
95.04997	0.9
95.08591	1.1
97.02893	2.6
98.22780	0.9
105.06995	1.0
107.04997	1.7
109.02844	1.3
109.10152	1.3
111.04410	1.2
115.05489	1.3
121.06510	2.9
122.03646	1.2
125.06065	1.0
127.03905	2.0
129.07014	1.3
137.05978	31.9
143.04988	2.4
149.05997	3.5
151.03853	2.1
153.05492	3.0
155.02489	0.9
161.05986	16.5
163.07558	1.6
165.06961	1.6
167.11055	0.8
175.07558	4.1
179.07057	2.3
179.08499	1.0
185.47107	0.8
188.04671	4.7
191.07054	2.0
193.06494	4.8
194.07208	0.9
197.09625	1.5
199.14868	0.8
203.07034	14.1
205.08676	2.1
207.08104	1.6
210.06720	3.5
216.46739	0.9
217.12199	1.0
219.10258	2.0
221.05965	11.6
221.08037	1.4
224.08325	2.5
225.09128	15.5
227.07143	1.2
233.08057	1.5
234.06763	1.3
235.07590	2.8
235.16943	1.0
237.09085	1.0
238.06276	3.5
239.10582	1.2
249.09065	2.0
252.07863	2.7
253.08604	34.3
253.14313	1.4
254.09210	1.9
255.06497	1.8
265.08664	1.8
266.09503	1.2
267.10117	12.0
269.07843	0.9
270.08865	3.9
277.08563	3.5
279.10336	1.6
280.07452	1.3
285.11215	85.8
286.11490	3.0
294.08923	1.7
295.09689	8.5
297.11124	8.8
299.12689	1.3
309.11261	10.4
313.10834	1.2
327.12268	96.5
328.12604	3.7
339.12189	1.6
345.13333	100.0
346.13623	2.9
357.13333	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	554.286
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61053	1.2
64.64027	0.8
67.05505	0.8
69.63592	3.5
85.41644	0.8
100.11296	0.8
105.93325	1.0
111.04408	0.8
136.00552	0.9
137.05956	1.5
138.96449	1.0
139.44539	0.9
142.34601	1.0
151.03827	1.1
166.01782	1.2
174.03352	0.9
181.04988	1.1
184.02849	2.2
197.06151	1.0
199.07605	1.3
217.08629	2.0
233.11804	1.7
235.09540	1.0
246.58612	0.9
247.11320	1.7
248.09665	1.5
264.13889	1.5
265.12238	3.5
266.10745	4.0
276.41144	1.1
279.10129	2.1
281.11472	0.9
283.13239	9.6
284.11618	1.8
287.14328	0.9
290.12219	1.0
291.10461	1.5
301.14490	1.8
308.12820	1.4
309.11118	7.6
326.13931	1.3
341.18600	3.1
346.21713	0.9
360.19388	1.3
364.22595	1.2
374.17700	1.4
387.20746	1.0
389.22198	5.2
407.23245	13.5
425.24261	12.4
473.28012	7.4
491.29037	62.6
492.29211	3.9
493.29199	1.2
494.29657	6.5
495.28336	3.1
554.28589	100.0
555.28845	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	554.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05783	1.5
55.01880	1.7
55.05508	2.6
59.56608	1.3
67.05497	4.9
69.03433	2.2
69.07075	2.9
69.26005	3.8
69.26394	4.0
71.08610	1.8
79.05479	2.1
81.07047	4.3
91.05456	2.1
93.07027	3.6
95.04951	5.3
95.08607	4.9
98.23322	4.5
105.06963	1.5
107.04935	1.6
107.08614	2.3
109.02873	2.7
109.06522	3.0
110.41320	1.3
119.08591	1.8
121.06489	4.3
123.04443	6.6
124.05199	1.9
125.05960	8.7
133.03625	1.8
135.07999	3.0
135.88095	1.4
136.05179	1.5
137.05988	5.0
138.06779	3.7
139.07550	7.3
140.04698	1.8
141.05432	5.2
147.11653	1.9
149.05919	2.6
151.03920	2.7
151.07539	11.3
152.04694	5.0
153.05455	14.4
154.06242	7.9
155.07016	5.0
163.07498	3.7
165.05389	1.7
166.06270	7.6
167.03308	2.5
167.07048	27.9
168.07826	25.2
169.03482	1.8
169.04950	38.1
169.08600	5.4
177.09126	2.6
181.08592	39.8
182.05626	1.9
183.06534	18.5
184.07300	100.0
191.10689	2.2
195.10100	1.6
196.07260	2.0
197.08098	9.7
198.08878	16.0
199.09644	36.7
211.09705	3.7
241.76720	1.4
276.21069	1.5
369.24069	2.3
373.27545	2.4
375.93750	1.5
401.26443	2.7
429.26312	5.5
461.28806	11.3
477.28384	4.0
487.26462	3.2
493.31601	6.1
505.27744	6.2
506.28497	5.7
513.19226	4.7
519.29456	4.9
522.28259	3.3
526.34869	1.7
537.30573	75.5
538.30731	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	554.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52905	1.0
52.83568	0.9
55.05492	3.5
57.07065	2.8
60.74206	1.0
61.63695	1.0
67.05485	4.7
69.07067	3.1
70.31686	2.9
71.08646	1.0
79.05477	3.6
81.07052	6.7
83.04998	1.8
83.08614	2.6
91.05493	5.6
93.07044	9.0
95.08601	6.7
97.10163	2.6
105.07024	9.5
107.08591	11.6
109.06561	1.2
109.10151	5.5
110.19025	1.0
117.07005	5.3
119.08571	12.2
121.10143	13.1
128.06215	1.5
129.07016	5.4
131.08582	7.1
133.10114	7.5
135.11693	8.9
137.09615	3.3
141.06976	17.5
143.08542	8.2
145.10107	6.6
147.11674	3.3
155.08543	26.2
156.09215	1.1
157.10139	11.8
159.11674	7.7
161.13216	2.5
163.11215	1.9
167.08563	4.4
168.09320	1.5
169.10115	22.6
170.10800	1.3
171.11696	7.3
173.09554	1.4
173.13223	4.7
175.11182	1.5
180.09319	1.4
181.10115	8.9
181.11612	1.1
181.12259	1.0
182.10834	1.6
183.11687	24.8
185.13225	7.9
185.35104	1.0
187.11186	1.6
187.14803	2.2
189.12741	3.2
194.10815	2.3
195.11690	7.5
196.12445	1.8
197.13277	6.6
199.11182	2.2
199.14801	8.1
201.12683	1.2
203.14285	1.9
207.11868	1.2
208.12434	1.9
209.13248	10.3
210.14069	2.6
211.14856	2.7
213.12798	2.5
213.16302	2.4
215.17743	1.2
218.00636	1.1
223.14870	9.1
225.16364	53.0
226.42760	1.3
227.14328	6.9
229.15872	2.4
235.31633	1.2
236.15459	1.7
237.16370	4.5
239.17859	5.9
240.18651	1.3
241.15730	3.2
241.19453	1.9
243.17363	10.6
245.15398	1.5
255.17416	1.7
255.20955	5.6
265.19540	20.4
269.60626	1.0
273.21936	1.0
283.20544	100.0
284.20868	3.3
285.18488	7.5
301.21594	48.4
302.22095	1.3
309.75827	1.3
319.22647	4.4
325.21564	4.8
343.22678	28.2
361.23663	3.0
403.24835	18.9
530.12781	1.2
547.19586	1.2
554.36957	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	555.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96109	0.4
67.05499	0.5
69.03422	0.8
69.76937	0.9
69.77306	0.9
72.10052	0.4
73.75155	0.4
81.07073	0.5
85.02891	1.0
91.05501	0.8
97.02940	0.5
106.83488	0.4
125.06026	0.5
132.97411	0.4
137.02306	0.6
137.05998	0.6
138.03081	0.6
139.03891	1.0
151.03885	1.0
151.07584	0.8
161.05989	1.1
171.06569	1.1
181.04950	11.7
199.05894	0.5
201.03609	0.7
201.19225	0.5
203.07079	0.9
221.08051	1.1
241.06895	0.6
268.28519	0.4
275.07361	0.8
276.89163	0.4
283.08148	0.8
287.09137	1.3
289.05511	0.6
321.83588	0.5
333.07922	12.6
335.09424	4.5
347.09393	2.7
423.23291	1.2
483.80875	0.7
494.79865	0.6
537.26434	1.0
555.20135	69.2
555.27667	100.0
556.20428	4.5
556.27966	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	555.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43713	0.5
70.36447	1.5
80.72136	0.5
85.02885	0.7
91.05484	0.8
97.87733	0.6
105.07053	0.6
107.96912	0.5
121.02876	0.8
137.05981	1.4
139.03947	1.3
151.03912	1.3
163.07718	0.6
167.03419	0.6
175.07576	0.7
181.05032	1.2
218.99763	0.5
219.01944	0.6
248.41753	0.5
331.03183	0.6
333.07889	10.2
335.09570	3.6
373.49344	0.7
375.21545	0.9
393.22473	0.9
555.20245	6.9
555.27777	100.0
556.28235	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84833	0.6
58.07592	0.6
67.05515	0.5
69.93089	0.7
69.93439	1.7
75.83300	0.5
81.07061	0.7
81.14573	0.5
82.33401	0.6
86.22892	0.5
91.05462	0.7
93.83445	0.5
107.53156	0.5
203.84711	0.5
324.73068	0.5
333.07892	7.0
335.09515	3.5
423.23566	1.5
490.27023	0.6
555.27765	100.0
556.28125	6.5
568.19397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2933
Annotation	Acrovestone
Peak:m/z	Relative Intensity
50.21212	0.9
56.96540	1.0
57.07073	2.0
59.57715	1.0
69.83076	1.8
69.83479	2.2
71.08621	1.5
73.36147	0.9
81.02001	1.0
81.07053	1.4
95.08615	1.4
98.23372	1.1
98.98476	5.9
109.02936	1.2
109.10189	1.4
121.10146	1.2
139.43170	1.0
155.01035	7.5
181.05031	1.7
196.07372	2.7
211.09543	1.5
228.11241	1.1
239.23729	1.3
313.27408	5.8
523.26300	1.7
541.82074	1.0
545.80670	1.2
555.29285	100.0
556.29761	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	555.3296
Annotation	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
54.89218	0.4
55.05512	0.8
67.05501	0.8
69.04553	1.2
69.07059	1.0
69.55637	1.7
71.05003	0.5
79.30756	0.5
81.07046	1.0
95.08591	1.1
105.07059	0.7
116.16571	0.6
119.08594	1.9
131.08586	0.7
137.06007	0.6
146.80270	0.5
151.07521	1.0
161.06009	1.9
172.14532	0.5
173.13237	0.8
177.09282	0.5
187.07593	0.8
196.07323	0.7
198.50235	0.5
204.99332	0.5
211.09674	0.8
284.13147	0.6
321.73166	0.5
443.47501	0.5
525.28400	3.0
540.30585	2.4
555.32965	100.0
556.33264	3.5
560.82019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05505	0.5
57.33302	0.4
65.03926	3.0
67.05489	1.5
69.03424	1.4
70.28432	0.5
71.45690	0.4
73.02907	0.4
79.05492	1.1
79.87097	0.4
81.03395	0.8
81.07048	1.5
82.04205	1.1
85.02907	4.8
91.05456	1.4
93.03404	1.0
94.04173	0.9
95.04962	1.5
95.08606	1.1
95.85558	0.5
97.02859	0.8
97.06520	1.5
103.03925	0.9
103.05441	0.8
105.07005	2.0
107.04916	1.9
108.02089	0.5
108.05757	0.4
109.02869	0.5
109.06523	0.5
110.03661	1.5
111.04408	0.6
117.03381	0.4
117.06999	0.8
119.08566	0.7
121.06483	1.7
122.03654	1.6
123.04406	0.7
125.05987	1.3
127.03914	0.9
128.06224	0.5
129.07016	0.6
131.04893	1.3
131.08533	0.5
133.06476	7.0
133.10054	0.5
135.04404	0.8
135.08098	0.7
136.05183	1.9
137.02339	1.4
137.05966	32.2
137.13246	1.1
138.03070	0.8
139.03879	0.6
140.04672	1.9
142.02626	0.5
142.08617	0.5
143.08588	0.6
145.02840	1.2
145.04909	0.7
145.06496	0.9
146.07225	1.0
147.08031	4.2
149.06015	0.9
150.06767	0.7
151.03874	1.3
151.07536	29.4
153.05492	2.9
155.07025	1.1
155.08467	0.5
157.06557	0.6
157.10188	0.6
161.05969	5.3
161.13229	1.0
163.06139	0.6
163.07518	4.3
165.09076	3.0
167.08437	0.5
171.06523	3.5
171.08054	1.2
174.06810	0.9
175.07549	2.4
177.05467	1.5
177.09099	8.7
179.07039	0.9
179.14323	0.8
181.04945	100.0
182.05316	1.9
187.07535	0.9
188.17500	0.8
189.09111	2.4
191.10707	0.9
191.31070	0.4
199.05966	1.5
199.07593	2.6
201.09064	0.7
202.09744	0.5
203.07016	4.3
203.10536	2.1
213.09047	1.1
213.12840	0.4
215.07002	0.5
215.16397	1.8
217.08611	0.8
217.12215	1.5
221.08058	4.0
227.07024	1.2
235.13068	0.5
241.06902	5.3
245.08011	1.0
259.09735	0.4
263.09091	2.4
269.08154	1.3
271.20541	0.5
278.13165	0.6
281.18961	1.1
283.08063	4.0
287.09103	13.9
299.19940	2.3
305.10144	1.1
309.14771	5.0
317.21118	1.5
326.15036	2.4
341.17474	14.5
343.10065	2.0
359.18521	2.9
380.21741	1.8
387.08942	0.5
464.38858	0.4
556.19275	0.7
556.27460	2.5
557.15881	1.0
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
50.01626	0.4
57.03447	0.7
69.03413	1.0
73.02911	1.0
77.78607	0.5
80.43654	0.5
81.07072	0.8
85.02886	0.6
91.05478	1.4
97.02902	0.8
103.05472	0.7
105.07057	0.9
107.04970	0.8
115.05391	0.8
117.07034	0.8
123.37165	0.5
128.06158	1.1
129.07013	2.9
131.04945	2.5
131.08548	5.6
133.02847	1.9
133.06505	1.4
136.07562	1.0
136.37628	0.6
137.05995	2.4
139.90929	0.5
141.07001	1.4
143.08533	1.0
144.05687	1.3
145.06482	1.6
146.07286	1.1
147.04408	0.6
157.06471	2.4
159.08046	7.9
161.05988	1.8
161.09598	2.3
163.07526	1.3
164.07059	0.9
167.07007	1.2
169.07678	0.9
170.07309	1.4
171.08051	2.2
172.05193	0.9
173.05983	1.3
175.07573	1.2
187.07536	8.7
189.05428	0.7
189.09091	3.8
190.06171	0.5
191.07111	0.8
193.08586	0.6
198.06784	0.9
199.07495	1.1
203.06966	1.2
204.07811	3.9
205.08643	1.1
216.07820	1.3
219.10210	2.4
221.11665	1.7
231.10193	2.2
234.08725	0.7
237.11327	1.0
240.16670	0.5
249.11224	100.0
250.11560	2.1
251.12660	0.6
267.12323	5.9
273.16913	0.6
323.09210	0.5
362.17953	0.5
506.63754	0.6
556.16907	1.2
556.24591	7.9
557.20892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43316	0.4
54.41196	0.5
55.01869	0.5
67.05469	0.4
69.48671	1.7
70.06583	0.7
73.02909	0.9
81.07052	0.5
84.96166	0.5
91.05485	1.5
97.02888	0.7
98.23523	0.6
103.05451	1.4
105.07026	1.2
107.04967	0.9
111.80580	0.4
115.05466	0.8
117.07066	0.6
119.04940	0.6
119.08588	0.4
128.06194	1.2
129.06982	4.2
131.04947	2.9
131.08562	4.4
133.02840	1.9
133.06488	1.5
133.10085	1.1
137.06009	2.6
141.06998	1.8
143.08553	1.2
144.05710	1.9
145.06473	1.6
146.07268	0.7
147.04366	0.8
153.05490	0.5
153.07022	0.6
157.06488	2.6
158.38135	0.5
159.08061	8.3
161.05984	2.2
161.09607	2.5
163.07507	1.2
164.07037	1.0
165.05493	0.7
167.06992	1.1
169.07597	0.8
170.07254	1.7
171.08049	2.0
172.05180	0.6
173.06047	0.8
174.06706	0.6
175.07495	1.2
177.05405	0.7
187.07516	7.3
188.08302	0.7
189.05556	0.7
189.09142	3.1
198.06761	0.6
199.07510	1.1
203.07069	1.3
204.07875	3.5
205.08505	1.2
206.09296	0.6
216.07791	1.1
217.08609	0.8
219.10129	2.6
221.11736	1.4
231.10258	2.4
233.11748	0.8
237.11243	1.1
249.11226	100.0
250.11572	2.1
251.12895	0.5
255.15793	0.6
267.12292	5.2
362.17953	0.6
397.16263	0.6
410.18723	1.2
556.16711	1.4
556.24408	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	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
61.02935	1.0
65.03936	1.2
69.03426	1.8
69.43584	3.6
71.05001	1.0
77.76775	0.9
81.03414	1.0
81.07070	1.1
85.02911	9.0
91.05480	2.1
93.03394	0.9
94.04195	1.9
97.02890	2.7
103.05450	1.0
107.04980	1.0
109.06523	1.9
115.05428	5.1
117.07039	1.6
119.04986	1.0
122.03651	4.9
125.05965	1.3
127.03977	1.4
128.06279	1.7
129.07002	7.6
131.04933	4.5
131.08571	1.3
137.05977	100.0
138.06305	1.0
143.04907	7.3
144.05733	2.4
145.05013	1.9
145.06453	2.1
147.04469	1.3
151.03944	2.5
151.07582	2.3
153.05516	4.2
157.06477	7.7
158.07263	1.5
160.05194	13.1
161.05994	2.4
163.07545	2.7
165.05429	1.5
172.05205	4.8
173.06091	1.1
174.06761	9.0
175.07544	67.3
176.08005	1.3
177.09152	1.0
179.06958	1.1
180.08562	1.0
187.07539	56.0
188.08084	1.6
189.09120	19.5
191.06989	1.5
191.08571	1.9
199.07542	3.1
201.09093	1.8
202.07809	1.3
203.08592	3.5
205.08597	15.8
208.08794	1.0
211.07555	2.3
217.08594	16.2
218.07265	1.0
219.08067	5.7
219.10229	9.0
220.08856	1.4
227.06969	1.3
231.08031	4.3
232.08820	1.5
233.09656	1.0
235.09619	13.9
235.11697	1.5
236.08296	1.0
239.07047	2.2
240.07837	1.2
247.07526	4.4
248.08366	6.1
251.10660	3.6
255.06581	1.8
259.07504	3.2
260.08414	1.6
261.09143	2.7
263.08084	1.1
263.10718	8.6
264.07806	1.9
265.08606	2.5
270.08813	4.4
271.09677	9.3
276.07736	3.9
277.08713	1.9
278.09348	1.1
279.10126	10.7
280.10995	1.4
283.09586	2.4
291.10123	17.9
292.10965	1.5
293.08102	2.3
296.10437	5.2
308.10410	3.2
309.11182	1.1
311.12753	17.0
313.14294	0.9
323.12778	36.5
341.13834	64.3
342.14102	1.5
492.22781	0.9
503.19012	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03980	0.7
65.82584	0.8
67.15960	0.9
68.25208	1.0
69.03423	1.5
69.15411	4.5
74.35918	0.8
79.05499	1.8
80.32821	0.8
81.03416	1.8
81.07050	1.2
85.02895	7.0
91.05485	3.9
94.04166	1.8
95.04967	1.0
97.02894	2.8
103.05468	2.7
103.95866	0.8
105.07045	4.0
107.04954	5.3
108.05714	1.5
109.06512	1.9
117.07006	1.8
119.04925	0.9
119.08560	1.1
121.02857	1.6
121.06513	7.0
122.03617	4.4
129.07002	2.4
131.04932	5.3
133.06485	20.8
135.04398	1.7
135.08092	2.1
136.05220	4.2
137.05974	100.0
138.06314	2.0
139.03899	1.7
143.08516	1.5
145.06433	2.0
146.07260	3.5
147.04330	0.9
147.08038	8.9
149.05978	1.6
150.06766	1.8
151.03917	3.4
151.07536	94.1
152.07896	1.4
155.70430	0.9
157.06488	2.4
159.07977	1.6
161.05992	2.8
162.06744	2.0
163.07553	12.2
165.09114	7.9
171.08026	2.6
174.06769	1.6
175.07521	2.9
176.08356	1.9
177.09096	23.5
187.07553	2.1
188.08295	2.9
189.09079	5.7
191.10651	2.0
195.06531	2.1
198.06918	0.9
201.09171	1.2
202.09854	2.3
203.10680	5.7
207.10136	1.4
213.09219	1.1
217.12212	4.8
221.11703	1.4
225.07547	1.1
226.73328	0.8
230.69461	0.9
243.10281	1.8
268.75400	1.0
273.11194	3.9
309.14819	15.3
326.15060	6.3
341.17456	47.2
342.17712	3.1
357.89883	1.0
359.18365	5.7
387.03848	0.9
397.16409	13.6
452.96939	0.9
453.71313	1.0
539.16925	1.3
556.27948	2.5
557.19067	2.1
557.29724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49593	1.3
79.05511	1.7
84.23181	0.6
85.02935	1.2
85.82656	0.5
91.05460	3.0
93.07043	0.7
93.77742	0.5
94.04193	1.2
95.04964	0.8
103.05482	2.2
105.07020	4.3
107.04941	4.4
108.05721	1.3
109.06477	0.9
117.07025	1.3
119.04946	1.0
121.06511	6.1
122.03645	6.1
127.43850	0.6
128.06294	0.7
129.06990	0.9
131.04929	5.5
133.06483	19.0
134.17017	0.6
135.04404	0.8
135.08055	1.9
136.05174	5.0
137.05971	99.9
137.30525	0.5
138.06326	1.8
143.08548	1.7
145.06487	2.2
146.07265	3.4
147.08046	10.7
149.05936	1.3
150.06767	2.0
151.07532	100.0
152.07886	1.3
157.06471	1.4
158.07144	0.5
159.08023	0.8
161.05966	1.0
162.06758	1.7
163.07532	10.7
165.09120	7.8
171.08014	3.1
174.06767	1.7
175.07552	2.2
176.08292	1.8
177.09093	25.1
179.10703	0.7
186.10344	0.8
187.07536	1.0
188.08308	2.0
189.09108	6.6
191.10622	1.9
201.09105	1.4
202.09801	1.6
203.10648	7.2
217.12192	3.3
223.35342	0.7
278.12967	1.9
309.11548	1.1
309.14847	17.2
310.15186	1.2
326.15091	7.3
341.17447	51.5
342.17670	2.3
359.14124	0.6
359.18570	8.1
458.43210	0.7
556.16931	1.0
556.27747	1.1
557.25922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.8
57.03434	3.4
64.33614	1.3
65.19125	1.1
67.04179	1.1
67.05503	2.8
69.03439	8.5
69.26233	6.4
75.04487	6.8
77.03935	1.2
79.05495	15.9
81.03423	8.8
81.07063	4.9
85.02905	8.9
88.98454	1.3
91.05478	14.3
93.07046	89.2
94.07384	2.1
95.04971	7.5
95.08593	3.2
97.02912	5.7
98.23449	1.9
99.04468	1.8
102.39703	1.1
103.03967	1.6
103.05495	1.4
105.04537	2.8
105.07042	7.9
107.08590	16.3
109.02891	5.2
109.10172	2.3
111.04431	1.5
111.08105	5.1
117.07018	1.7
119.08579	13.5
121.06520	2.9
121.10146	100.0
122.10513	1.5
123.08051	2.6
123.36034	1.1
125.06013	1.2
127.03947	3.6
128.98575	1.5
131.08563	5.8
137.05911	6.6
139.03915	3.5
139.11183	4.0
145.00636	1.1
145.05013	1.8
145.10074	2.0
147.08070	3.3
149.09621	18.7
151.07524	2.6
153.01883	2.4
159.08051	2.1
163.07607	2.8
165.09157	2.1
167.03432	2.4
167.10674	30.2
167.12015	2.3
171.08086	2.1
175.07593	3.3
177.09167	4.7
179.10670	1.7
187.07503	1.5
189.09109	1.9
193.08597	38.1
205.08597	31.2
205.10439	1.9
209.11629	2.3
211.09674	4.0
215.10979	1.2
217.08589	12.2
223.09628	16.2
229.08607	1.8
231.10274	1.8
235.09663	8.1
245.11792	1.5
247.09615	2.2
251.12732	3.0
259.09784	2.8
277.10718	2.3
281.13828	1.6
283.09726	2.1
287.12033	1.2
293.13904	3.8
301.10696	11.3
311.14935	12.8
313.17731	1.5
319.11786	2.6
323.31976	1.3
329.15909	2.1
355.19168	1.4
359.18555	11.5
383.18378	1.4
503.22449	1.8
556.18463	4.6
556.27612	11.0
557.20056	1.9
557.29291	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	556.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.2
55.01847	0.6
55.05481	0.7
57.03444	2.4
61.02925	3.4
69.03426	6.6
71.04976	1.1
71.22441	0.5
73.02887	1.6
73.17114	0.4
73.44305	0.4
78.64022	0.4
81.03413	3.6
83.82850	0.5
85.02901	43.7
85.11450	0.4
87.04444	0.8
91.03919	1.7
97.02891	10.6
99.04433	1.7
109.02882	3.1
127.03041	0.6
127.03915	10.0
141.07010	1.0
142.07739	0.9
145.04945	18.2
153.06920	0.7
154.07707	0.7
155.08537	14.6
156.09341	12.1
157.10088	1.4
163.04794	0.8
163.06029	7.8
166.13144	0.4
167.08536	3.6
169.10120	19.8
178.67947	0.5
182.10907	7.6
197.13245	100.0
198.13562	3.7
215.14272	5.2
245.92305	0.5
289.09167	0.6
325.11237	1.4
334.20462	0.5
335.09442	0.6
418.44626	0.5
454.75638	0.5
462.40347	0.5
556.28064	23.4
557.28864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01867	5.7
55.05511	3.2
57.03432	5.8
61.02924	6.0
67.05503	4.1
68.99783	2.4
69.03427	35.8
69.07050	2.2
71.04995	3.3
71.43531	1.6
73.02910	4.5
79.05493	5.7
81.03413	21.0
81.07051	10.3
83.08623	5.5
85.02902	100.0
87.00826	40.0
91.03964	2.2
91.05479	6.0
93.07055	6.9
95.08612	8.1
97.02889	27.7
99.04457	15.9
105.01866	77.6
105.07021	11.8
107.08591	11.8
108.04412	2.0
109.02863	26.6
109.10160	4.7
117.01821	2.0
117.07056	3.2
119.08566	6.2
121.10134	6.1
127.03912	72.5
131.08554	5.3
131.51984	1.3
133.10139	4.6
135.11703	3.1
143.08577	2.8
145.04955	31.6
145.10107	10.5
147.02879	3.4
147.11711	12.8
149.13324	2.2
157.10062	2.8
159.02898	11.6
159.11688	11.0
161.13228	5.4
171.03020	2.1
173.13284	7.3
175.14848	1.4
185.13275	3.8
187.14786	2.5
189.03975	4.4
199.14781	6.8
201.16408	3.1
213.03966	4.1
213.16319	1.9
222.15729	1.4
231.04958	32.7
248.07719	1.9
249.06067	15.0
255.21063	75.4
271.20505	3.6
273.22107	71.7
274.22394	1.6
291.23065	1.8
325.11823	2.1
353.57809	1.5
394.23047	2.4
503.25845	2.0
556.32434	24.2
557.32263	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	556.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01871	6.7
55.05508	5.8
57.03435	6.9
61.02929	5.6
67.05505	7.3
68.99796	2.2
69.03429	38.3
69.07066	4.4
69.19672	5.4
69.20074	3.2
70.50585	1.9
71.04989	3.7
73.02921	4.6
79.05487	5.4
81.03418	24.7
81.07058	11.2
83.05022	1.5
83.08630	12.1
85.02908	100.0
85.86729	1.5
87.00832	39.7
87.01331	3.4
89.31075	1.7
91.03965	2.8
91.05488	14.1
93.07040	12.3
95.08603	14.8
97.02898	38.2
99.04472	12.2
105.01870	72.8
105.07032	11.1
107.08570	9.0
109.02875	29.8
109.06561	1.8
109.10166	6.3
117.01865	2.0
117.07011	5.0
119.08586	7.7
121.10180	2.9
123.11697	2.1
127.03919	79.6
129.01836	2.9
131.08572	6.6
133.10132	4.6
135.11700	4.6
139.03920	3.8
141.00763	1.6
145.04967	38.0
145.10129	8.5
147.02901	3.2
147.11681	8.9
149.13327	3.6
151.14781	2.4
155.14323	2.2
157.10100	1.9
159.02927	9.9
159.11697	21.5
161.13261	7.0
171.02876	1.7
172.73599	1.8
173.13261	11.5
177.04008	2.0
185.13321	2.0
187.14804	6.5
189.03885	3.2
191.14339	4.4
197.15305	4.8
199.14690	2.4
213.03932	4.9
231.05017	34.0
240.31558	2.0
249.06079	18.7
255.21094	45.3
273.22137	63.7
274.22278	2.1
394.22757	3.3
471.44376	1.8
512.25305	2.8
556.21228	5.4
556.28046	12.4
556.38293	10.0
557.19702	2.5
557.28479	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.8
56.11746	4.3
57.03436	5.7
57.07074	33.1
58.20543	4.6
67.05505	15.5
69.07071	8.1
69.15232	14.8
69.15636	13.8
71.08633	14.2
75.42876	4.6
79.05495	16.3
80.95081	5.2
81.07050	16.4
83.08624	13.9
85.10188	8.9
89.05987	4.4
91.05473	5.9
93.07046	15.1
95.04987	8.3
95.08598	32.3
107.04969	5.0
107.08598	16.4
109.10184	5.6
116.82523	4.2
117.07067	6.8
135.11710	15.4
137.59280	4.5
141.85379	5.4
144.35835	4.7
145.10156	9.9
163.11203	28.3
181.12280	6.0
195.93143	4.6
207.61145	4.8
227.12807	52.7
283.15402	65.0
283.26370	17.3
300.29083	7.7
311.29193	5.9
313.27380	98.2
364.66745	5.4
371.22577	6.3
521.38434	77.3
556.53125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	28.7
57.07066	65.1
57.84415	20.0
61.01678	16.2
67.05517	49.2
69.07071	66.8
69.21281	100.0
70.06583	24.2
71.08627	33.0
81.07056	78.9
88.07645	25.1
88.44473	17.7
89.06028	37.2
91.05499	45.7
93.07018	39.8
95.08618	52.7
98.22678	32.0
105.07038	58.1
107.08627	20.3
109.10136	43.3
121.10183	25.7
123.08041	18.5
131.08521	19.6
145.10106	25.1
147.11768	25.5
155.08527	22.5
180.50487	21.0
256.26215	28.8
283.26361	88.0
300.28885	25.5
311.29309	21.4
396.50580	19.8
556.53113	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2879
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
53.27797	0.3
57.07076	0.7
57.38276	0.4
64.14919	0.3
65.18227	0.4
70.06606	0.4
70.96966	0.4
71.08628	0.4
71.09695	0.6
79.19727	0.4
84.67565	0.4
89.06024	1.1
89.24196	0.4
98.23209	0.6
106.73132	0.4
127.24755	0.4
133.08627	0.5
149.71832	0.4
175.16632	0.4
181.08444	0.5
252.99049	0.4
283.26511	0.4
473.97604	0.4
497.26157	0.5
556.52911	1.1
557.28729	100.0
558.28949	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	557.3089
Annotation	Dronedarone
Peak:m/z	Relative Intensity
55.05507	1.5
57.07072	1.6
66.14291	1.2
69.54331	5.3
98.23517	1.4
98.97616	1.2
113.13834	1.5
133.08643	1.7
137.05965	4.4
149.05949	1.9
163.07578	2.1
165.93007	1.4
167.07065	3.8
177.09151	2.2
204.21205	1.5
227.42752	1.3
245.48068	1.9
283.26370	2.7
300.29095	2.3
417.48831	1.5
449.57846	1.4
556.52808	4.6
557.30859	100.0
557.53571	2.7
558.30853	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	558.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
57.78367	0.4
62.21457	0.3
65.03937	3.4
67.05501	1.6
69.03419	1.4
70.91241	0.3
79.05513	0.4
81.03417	5.0
82.04192	1.0
85.02901	3.0
91.05511	0.6
93.03407	1.0
95.04968	1.8
97.02887	1.1
97.06538	1.0
99.04449	0.9
107.04921	0.4
109.02876	1.9
109.10198	0.5
110.03665	1.8
111.04446	0.8
123.04427	1.0
125.05991	1.1
127.03867	0.6
131.40164	0.4
135.10696	0.4
137.02295	0.3
137.09610	0.5
138.03119	1.1
140.04697	4.7
142.02667	1.0
153.05481	2.6
155.07024	3.2
161.09639	0.9
165.09135	1.1
171.06541	4.1
171.93352	0.4
177.05402	0.5
181.04958	100.0
182.05321	1.0
199.06020	8.4
199.09122	0.4
207.10109	0.8
242.75850	0.4
325.09183	7.4
343.10254	7.0
476.45242	0.4
558.21643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11941	2.6
60.63125	2.6
60.78062	2.3
63.12267	3.0
67.05501	4.4
69.48704	2.6
70.85147	2.8
81.07059	4.1
95.08608	4.9
102.30227	2.7
121.10143	4.7
125.06020	4.2
137.05989	6.0
139.07538	3.1
152.04709	3.0
153.05505	3.6
167.07063	9.4
168.03792	2.7
168.07808	8.8
169.04897	14.8
181.08525	15.7
182.05745	2.9
183.06572	6.5
184.07323	50.2
195.00084	3.1
196.07312	9.7
197.08104	8.4
198.08890	8.5
199.09604	10.6
203.10623	8.2
207.10153	3.9
211.09662	12.5
217.12323	3.3
267.97281	2.6
320.79306	2.7
406.30521	3.5
437.32654	6.3
463.30548	100.0
481.31519	5.4
509.31790	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	558.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.2
58.84180	2.0
67.05499	4.3
69.61246	6.9
69.61592	2.7
78.56152	2.2
79.05480	3.5
81.07051	3.1
93.07059	2.8
95.04969	3.4
95.08595	4.2
98.22753	3.8
107.08506	2.2
109.06580	2.0
123.04464	2.9
125.05988	4.7
128.91747	2.0
137.06001	4.4
139.07542	6.4
151.07498	5.8
152.04709	3.7
153.05524	5.5
155.06995	2.3
166.06256	2.3
167.07025	12.1
168.07802	10.5
169.04950	26.0
169.08601	3.9
181.08604	21.7
182.05705	3.3
183.06488	11.8
184.07306	84.1
196.07312	7.7
197.08122	8.8
198.08830	10.3
198.33002	2.5
199.09598	18.1
207.10287	2.5
211.09549	13.2
335.45978	2.2
389.26932	2.9
395.50861	2.2
399.25156	2.7
431.27701	4.6
432.28476	3.0
437.32629	8.5
463.30530	100.0
464.31186	4.7
469.05664	2.2
481.31375	5.6
509.31018	2.5
557.52594	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	558.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48750	0.4
53.03926	0.4
53.47656	0.4
55.05512	0.7
57.07075	31.0
57.73752	0.4
59.05000	4.8
67.05497	1.0
69.03420	2.4
69.07047	0.5
71.04967	0.4
71.08619	0.8
73.02907	1.8
73.06567	0.6
75.55995	0.4
79.05486	1.0
81.07053	1.7
82.07360	0.4
87.04466	100.0
88.04794	0.6
89.06026	14.9
90.21150	0.5
91.05472	2.9
93.07038	2.5
95.04967	1.1
95.08600	1.1
96.08993	0.5
98.22729	1.5
105.07030	2.7
107.04964	0.9
107.08589	1.0
113.06017	0.9
117.07024	0.8
119.04972	1.2
119.08581	3.3
121.06506	6.1
125.44028	0.4
129.07039	0.9
131.07034	32.5
133.06534	0.5
133.08601	6.8
135.08078	0.6
135.11668	0.6
143.08650	0.5
145.06543	0.5
145.10040	0.5
147.08046	3.9
147.11552	0.4
149.09636	4.4
157.08490	0.6
161.09669	0.7
163.11226	0.5
173.09669	2.1
175.09669	34.2
175.11104	2.0
177.11282	2.0
177.12706	0.7
179.14330	0.9
180.14598	0.7
182.43509	0.5
189.12709	0.5
191.10670	1.2
193.10703	1.0
193.12280	3.2
207.13762	0.6
219.12279	7.2
219.14229	0.6
233.19000	0.9
235.13277	2.2
237.12955	0.5
237.14922	1.6
241.23302	0.4
255.16026	1.1
259.20590	7.7
261.14764	0.5
261.22171	0.9
275.23712	1.0
278.22421	0.5
279.16080	1.2
283.17526	0.5
299.18579	1.2
303.23212	2.5
305.24579	0.8
314.27499	1.0
323.18591	0.9
343.21136	8.2
347.25790	0.9
411.23810	1.1
429.24942	0.6
541.37567	1.0
558.27753	1.0
558.39819	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	559.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	34.5
56.96838	2.1
69.49388	4.2
70.98146	1.2
71.65498	0.9
84.96031	24.8
98.23428	2.3
98.97581	75.9
102.97069	3.5
110.97568	11.6
112.99127	12.5
116.98622	31.1
124.99109	10.4
126.97070	3.6
127.00700	1.8
128.98604	12.4
131.00177	12.3
134.99670	5.3
137.05995	1.4
140.98576	6.5
142.96506	1.0
143.00160	42.8
144.98090	8.6
145.01759	3.2
146.99641	4.7
149.01260	4.6
155.00188	3.2
157.01660	1.1
158.99660	31.9
160.99202	1.7
161.01218	47.4
162.99147	5.8
167.00188	2.1
167.47951	0.9
169.01752	2.2
170.98416	1.1
170.99599	4.7
173.01193	5.3
174.99210	1.1
177.00720	22.9
177.05437	1.4
179.00168	8.2
179.02235	9.6
182.99620	5.9
184.02843	1.6
184.99576	1.2
185.01210	23.2
186.78972	1.1
187.02806	4.1
189.00696	6.4
191.00287	2.5
191.02306	2.9
194.99756	1.1
195.01813	2.3
197.01207	9.0
199.02719	1.5
201.00694	23.9
201.02428	1.5
203.02271	20.5
205.03889	1.2
207.01746	5.3
207.10347	1.2
209.01219	13.8
213.00690	3.5
215.02356	3.6
217.03882	2.9
219.01761	71.3
221.03300	5.5
225.00720	1.4
226.03868	0.9
227.02266	32.0
229.03882	2.2
237.00568	2.2
237.02814	24.0
241.03839	1.1
242.03371	2.8
243.01822	4.3
245.03317	18.0
250.03833	1.5
251.02231	5.3
255.01695	1.9
257.03397	3.2
259.09714	1.7
263.04416	2.7
269.03360	6.5
271.04889	2.6
273.02725	6.8
275.04361	1.8
277.03931	1.5
287.04538	6.1
289.05896	4.3
291.03839	1.1
295.04916	2.3
303.01874	1.4
311.04193	1.6
317.05475	2.1
321.02689	1.9
335.04181	5.6
339.03909	4.1
347.06479	30.4
348.06662	1.3
353.05322	7.4
355.06891	1.4
365.07535	21.8
371.06476	2.5
388.09418	1.0
481.10205	22.9
499.11215	100.0
500.11536	2.3
517.12238	1.2
550.75903	1.2
559.23456	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	559.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05006	0.5
71.20676	0.3
85.02894	1.0
91.05495	0.7
143.01039	0.4
174.60020	0.2
185.04222	1.0
243.08318	0.3
251.06854	1.6
305.06192	0.4
331.06030	0.3
331.09979	6.5
331.13672	0.5
376.64816	0.3
413.12033	1.2
426.55365	0.3
439.19272	0.3
451.11935	0.4
558.29547	0.2
559.17834	100.0
560.18182	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	559.3035
Annotation	DENTICULAFLAVONOL
Peak:m/z	Relative Intensity
51.44156	0.8
68.63840	0.7
69.50634	0.7
69.59101	0.8
69.59451	2.9
98.23350	1.5
107.08580	0.8
117.34184	0.7
128.20244	0.8
137.05959	0.7
140.58908	0.7
196.07376	0.9
559.30286	100.0
560.30780	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	559.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.6
55.01863	7.2
55.05503	32.5
57.03430	17.5
67.05495	37.4
69.03418	28.7
69.07059	23.6
69.59617	11.6
69.59982	10.7
79.05493	38.3
81.03397	12.9
81.07051	69.6
83.01324	10.1
83.04981	16.2
85.02918	14.1
85.06535	8.2
85.41301	6.0
90.17165	5.6
91.05491	26.8
93.07035	58.6
95.04973	23.0
95.08594	73.9
97.06537	21.2
97.10178	24.9
105.07014	41.6
107.08592	46.3
109.02850	7.7
109.06538	31.9
109.10162	30.7
111.04443	15.6
111.08075	11.6
113.03368	5.5
113.09637	8.0
117.07031	13.2
119.08564	31.1
121.06521	18.6
121.10140	37.2
123.04420	15.0
123.08057	38.0
123.11698	13.7
125.05988	21.3
125.09634	26.8
127.03859	13.1
129.05493	9.0
129.69380	6.8
131.08591	15.9
133.06468	7.7
133.10126	33.3
135.04430	10.9
135.08089	22.2
135.11693	26.9
135.45837	6.1
135.80664	7.4
137.05998	21.6
137.09641	18.5
138.48761	6.5
139.03879	31.7
139.07552	16.0
141.09146	7.7
143.08554	7.5
145.10149	26.7
147.04329	8.0
147.11708	24.6
149.09607	20.0
149.13254	8.4
151.07536	33.9
151.11143	14.4
153.05531	11.3
153.09157	8.3
155.07031	11.2
155.08495	6.6
157.10123	6.9
159.11710	13.8
161.06027	8.0
161.09622	19.2
161.13245	11.9
163.07536	10.2
163.11139	33.9
165.05434	35.8
165.09096	10.5
167.07011	37.1
169.08687	9.6
171.06525	15.9
171.11812	6.0
173.09650	14.5
173.13350	9.1
175.11169	13.1
177.09120	8.6
177.12721	8.6
179.07082	24.0
179.10677	15.9
181.04984	19.9
181.08618	9.0
181.12202	6.4
182.05322	9.6
183.06502	8.4
183.11688	7.4
185.09793	6.2
187.11131	9.0
189.09163	9.3
189.12692	8.4
191.10643	22.9
193.08604	9.0
201.12784	8.0
203.10745	8.4
203.14407	10.5
205.08585	9.7
205.12283	11.7
207.10201	25.9
207.13795	7.4
209.08041	7.1
209.11678	40.2
213.12711	9.3
215.14255	8.2
219.13795	8.3
225.11261	13.6
231.13821	9.2
233.15399	11.3
235.09714	8.0
235.17101	7.9
249.14935	8.3
253.10748	15.9
261.14899	12.1
263.16678	6.6
271.16788	6.7
273.14853	8.0
277.14291	7.3
279.15936	7.4
287.16446	7.5
289.14252	9.6
289.17828	6.0
291.15790	8.1
299.16492	14.2
305.17316	6.2
311.16891	5.9
315.15894	16.7
317.17523	26.1
333.16870	16.6
335.18478	22.2
340.02823	6.1
407.26410	8.2
425.27011	9.9
441.26270	18.4
443.28381	9.6
451.24963	17.7
469.25812	54.3
487.26917	49.3
497.30997	7.6
501.09705	6.2
505.28018	16.7
559.22510	12.4
559.30908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01870	0.2
55.05507	0.8
57.07070	68.4
58.07395	0.6
59.04993	0.8
60.72080	0.1
65.03947	0.3
65.78211	0.1
67.05509	0.2
69.03426	0.8
69.07052	0.7
69.18896	0.2
69.19284	0.2
71.04994	0.1
71.08253	0.1
71.08622	1.4
73.02915	0.3
73.06548	2.0
74.06075	0.1
77.03903	1.2
77.04302	0.1
78.04724	0.1
79.05486	0.9
81.07052	0.4
83.04993	0.5
83.08601	0.2
87.04461	15.6
88.04816	0.1
89.06022	100.0
90.04696	0.2
90.06345	0.6
91.04865	0.1
91.05035	0.1
91.05470	8.3
91.07594	0.5
93.07035	9.0
94.07365	0.1
95.04961	4.2
95.08570	0.5
95.86434	0.1
96.05330	0.1
97.06511	0.1
97.10150	0.3
99.08071	0.2
103.05451	2.8
105.04517	2.0
105.07019	2.4
107.04950	1.1
107.05575	0.1
107.07075	1.7
107.08583	2.4
108.56646	0.1
109.06516	0.9
109.10138	0.3
113.06042	0.1
113.13287	1.2
115.05464	0.4
117.06992	1.9
117.09145	0.7
118.07787	5.6
119.04935	4.2
119.08575	5.3
120.09015	0.1
121.06493	37.8
121.10094	1.1
122.06834	0.4
123.08071	1.0
123.11708	0.1
128.06166	0.1
129.07018	0.6
130.08632	1.9
131.07033	4.5
131.08481	0.6
132.05681	0.1
133.08589	63.0
134.08902	0.5
135.08047	3.8
135.10143	0.3
135.10684	0.1
135.11679	1.8
137.05917	0.1
137.09552	0.1
139.07564	0.2
143.08563	0.1
144.09357	0.3
145.06476	0.3
145.07529	0.2
145.10139	0.3
147.08031	13.0
147.11694	0.3
148.08336	0.2
149.09598	4.5
149.13225	0.9
150.06740	3.5
151.09622	0.2
159.10373	0.2
159.11681	1.7
161.09650	0.3
161.11742	0.1
163.07513	0.6
163.11166	2.2
165.09097	19.0
166.09445	0.4
167.10651	2.1
173.09570	0.8
173.13231	0.1
175.09650	1.9
175.11186	0.7
177.11220	18.6
177.12715	2.3
178.11629	0.2
179.12830	0.2
189.09152	0.2
189.12772	0.2
189.16367	0.1
191.10646	3.2
193.12212	1.8
195.12256	0.3
207.10118	0.2
207.13835	0.4
207.17413	0.1
209.11697	7.9
210.12015	0.1
211.13255	1.9
211.15102	0.2
217.12234	0.4
217.16971	0.6
219.12190	0.2
221.13811	2.6
221.15851	0.2
223.15509	0.1
227.12753	0.1
231.17390	0.4
233.18970	20.8
234.19234	0.4
235.13258	1.7
237.14825	0.2
239.14796	0.5
247.20592	0.3
253.14294	1.5
255.15887	1.0
259.20557	2.7
260.20944	0.1
265.16534	0.6
271.15359	0.6
272.84610	0.1
275.20114	0.3
275.23685	1.1
277.21588	33.1
278.21967	0.9
279.15741	0.5
283.17413	0.5
297.16980	0.3
299.18500	0.2
303.23087	1.2
309.19138	0.2
315.18002	0.9
321.24203	5.0
322.24661	0.2
323.18774	0.1
327.20151	0.1
341.19617	0.2
359.20605	1.4
365.26984	0.1
385.21976	0.2
403.23367	1.1
427.30914	0.1
447.25839	4.8
448.26010	0.1
471.32922	0.2
515.35583	0.3
558.30353	0.1
559.38293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
55.16460	0.4
57.07080	2.3
59.35492	0.4
64.48293	0.4
65.03936	1.0
67.05492	0.6
69.03420	1.1
69.29741	2.0
70.66773	0.4
71.89778	0.4
73.06516	0.4
73.18601	0.3
79.05458	0.6
81.03426	1.6
81.07059	0.8
85.02907	3.0
86.86591	0.4
87.00842	1.1
88.33379	0.4
91.05482	0.6
93.07057	0.8
95.08587	0.7
97.02855	0.9
98.22694	0.9
99.04448	0.4
105.01813	0.6
109.02872	1.2
119.08627	0.4
121.02860	1.9
121.03897	0.6
127.03925	1.4
145.04929	0.5
149.02342	100.0
150.02672	1.4
155.62006	0.4
167.03424	0.8
190.04973	0.7
203.06985	0.7
205.08607	22.2
221.08060	0.9
235.16974	0.6
240.76443	0.5
277.14368	11.1
277.17410	0.5
295.15341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
55.16460	0.4
57.07080	2.3
59.35492	0.4
64.48293	0.4
65.03936	1.0
67.05492	0.6
69.03420	1.1
69.29741	2.0
70.66773	0.4
71.89778	0.4
73.06516	0.4
73.18601	0.3
79.05458	0.6
81.03426	1.6
81.07059	0.8
85.02907	3.0
86.86591	0.4
87.00842	1.1
88.33379	0.4
91.05482	0.6
93.07057	0.8
95.08587	0.7
97.02855	0.9
98.22694	0.9
99.04448	0.4
105.01813	0.6
109.02872	1.2
119.08627	0.4
121.02860	1.9
121.03897	0.6
127.03925	1.4
145.04929	0.5
149.02342	100.0
150.02672	1.4
155.62006	0.4
167.03424	0.8
190.04973	0.7
203.06985	0.7
205.08607	22.2
221.08060	0.9
235.16974	0.6
240.76443	0.5
277.14368	11.1
277.17410	0.5
295.15341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.1
57.03411	1.4
57.07072	18.3
57.71546	1.3
71.04979	1.9
71.43581	1.3
75.77924	1.8
79.05515	2.6
81.00327	1.2
81.03423	2.4
81.07038	3.0
85.02913	4.2
87.00838	1.6
91.05475	1.8
93.07024	1.7
97.02881	1.7
97.10136	1.4
105.07035	2.0
109.02879	2.0
112.22873	1.4
112.81168	1.3
119.08600	2.6
121.02823	2.0
149.02335	100.0
175.07532	4.2
203.07057	5.6
205.08607	12.3
221.08121	1.9
264.30856	1.3
267.15979	1.5
277.14334	40.7
289.18021	3.0
295.15384	4.2
332.70398	1.4
363.21799	7.7
396.40079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10765	12.5
55.05502	18.5
57.07068	12.6
66.64914	15.0
67.05505	90.4
69.07059	29.9
79.05482	57.4
81.03421	28.7
81.07056	100.0
83.08627	27.6
91.05439	30.5
93.07035	65.5
95.04976	20.8
95.08599	57.1
97.06547	14.1
105.07027	41.0
107.08578	41.3
109.10146	53.8
110.35526	12.4
111.08078	13.2
113.02590	13.2
114.20292	14.4
117.07050	18.1
119.08604	35.4
121.10120	48.3
123.11684	13.5
131.08543	20.5
131.40625	12.9
133.10095	32.6
135.11694	37.6
145.10135	20.7
147.11671	15.5
159.11697	13.8
163.14777	19.8
173.13252	25.4
175.11133	18.6
197.85733	12.7
198.23074	12.9
243.21024	29.1
261.22165	91.6
335.25772	38.6
353.26846	39.0
383.24109	19.3
384.20322	15.9
408.88965	14.9
438.18008	17.2
555.52545	15.3
560.36353	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35735	10.0
55.05503	25.2
57.07069	10.0
63.36146	8.3
67.05504	78.2
68.05800	10.0
68.10519	8.7
69.07069	24.7
69.60125	29.7
79.05477	48.8
81.03419	15.9
81.07057	83.0
83.08622	13.3
86.70286	11.1
91.05487	39.0
93.07053	58.7
95.08627	39.9
105.07030	14.1
107.08605	41.2
109.10171	33.9
117.01891	18.5
119.08585	25.3
121.10152	26.7
123.11717	20.4
131.08568	12.4
133.10135	24.3
135.11668	18.5
137.13274	10.2
147.11667	14.8
149.13263	24.3
159.11690	10.8
167.44202	9.4
168.39188	8.7
173.13248	9.9
181.92258	9.0
223.13321	9.8
243.21147	34.9
261.22134	100.0
291.19565	23.9
292.19952	29.5
313.85818	9.4
335.25763	19.3
353.26813	38.1
489.23907	9.8
560.28882	12.4
560.36768	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	2.3
55.05517	16.2
57.03441	3.2
57.07070	5.0
61.02918	4.6
65.03944	5.5
67.05502	72.3
69.07063	22.0
69.45678	11.3
71.64690	2.7
79.05487	35.2
81.03448	3.9
81.07056	90.3
83.08602	6.9
85.02894	5.5
91.05492	25.8
93.07037	53.2
94.07384	3.0
95.08604	62.4
97.02885	4.8
97.06539	4.0
105.07018	15.3
107.08585	33.2
109.10151	41.2
111.11681	3.5
117.07038	7.3
119.08552	18.1
121.10143	37.2
123.11703	17.5
131.08586	12.9
133.10133	18.0
133.11026	2.4
135.11694	30.5
137.13264	8.6
143.08556	2.8
145.10117	13.5
147.11700	7.5
149.13243	15.5
151.11217	3.0
151.14845	3.9
159.11673	12.4
161.13264	4.8
163.14839	6.1
166.20239	2.6
173.13272	11.6
175.14896	4.6
177.16367	6.1
179.14304	3.2
187.14751	8.2
189.09155	6.4
189.16396	7.2
191.18068	3.2
196.07378	6.0
201.16322	3.0
203.10678	5.1
207.17459	3.3
215.18062	3.0
233.19095	3.4
261.25735	3.5
271.24246	16.5
289.25238	100.0
289.28516	4.9
290.25656	5.2
307.26288	3.2
363.28812	16.5
374.60178	2.6
381.30011	35.4
433.38766	5.1
525.31897	3.5
543.36774	3.6
560.36774	4.9
560.45013	6.9
561.37738	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	560.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.05514	1.5
57.07076	39.4
62.08261	1.2
65.24659	1.3
67.05498	2.7
67.38858	1.1
68.68990	1.1
69.07056	2.7
71.08649	1.7
73.02917	100.0
76.09870	1.3
77.03918	1.5
79.05477	3.9
81.07050	5.4
83.08600	2.2
87.04469	6.1
89.06033	26.6
91.05465	7.0
93.07040	9.4
95.04951	3.4
95.08630	1.8
103.05470	1.8
105.04465	1.9
105.07023	4.7
107.05019	1.6
107.07101	1.5
107.08593	3.3
109.10163	2.6
118.07805	4.5
119.04961	2.9
119.08585	4.7
121.06498	22.5
131.07083	1.7
133.08615	18.3
133.10100	2.7
135.08057	2.7
135.11673	2.0
147.08028	10.2
149.09636	1.5
149.13319	2.3
150.06792	1.6
159.11740	1.6
165.09096	10.6
177.09023	1.6
177.11192	9.1
177.12650	2.6
191.10643	2.3
193.12059	1.4
205.10710	5.4
209.11691	7.2
211.13206	1.6
233.19022	12.2
277.21643	17.2
278.17538	4.2
315.17838	2.0
321.24197	5.8
359.20642	2.7
402.92831	1.5
403.23190	24.0
515.35852	13.9
543.36810	2.7
560.29285	2.4
560.37915	37.3
561.38141	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	560.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93787	1.9
54.41726	1.7
55.05502	2.4
57.07076	73.2
59.04996	5.7
67.05512	4.0
69.07056	3.9
69.59995	5.4
71.08629	3.2
73.02917	100.0
73.06554	1.9
79.05489	7.7
81.07047	5.6
83.08631	2.0
87.04461	11.5
89.06033	80.6
91.05476	8.9
93.07049	10.0
95.04969	7.2
95.08618	5.2
98.23358	2.4
99.48061	1.7
103.05499	3.0
105.04518	2.5
105.07034	23.3
107.07073	2.0
107.08585	5.1
109.10128	2.4
113.13313	2.4
117.05492	13.2
117.07046	2.7
118.07805	3.0
119.08601	12.4
121.06506	41.3
121.10155	10.8
123.08074	5.1
129.07027	2.5
130.08652	2.1
131.07040	2.0
131.08562	5.2
133.07664	3.0
133.08601	52.7
133.09633	2.7
133.10144	4.1
135.08063	11.3
135.11687	2.3
146.10764	2.1
147.08040	12.5
147.11694	7.9
149.09616	42.3
149.13141	2.1
154.09911	1.6
159.11699	2.0
161.13249	1.7
163.11203	6.2
165.09097	12.9
175.11203	3.8
177.11217	27.3
177.12744	10.6
191.10667	3.4
191.98141	1.8
193.12267	16.4
205.10707	5.6
209.11610	8.3
221.13756	8.8
233.18997	16.5
237.14842	9.2
245.20145	3.2
261.22073	13.9
267.15875	2.5
277.21591	17.3
296.32748	1.8
305.24768	19.6
315.18024	2.7
321.24274	5.6
343.21060	3.5
349.27280	7.0
403.23312	22.3
431.26398	21.4
515.35785	12.7
543.38928	28.2
560.37677	34.2
561.38092	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2309
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
69.03416	0.3
79.72244	0.3
81.07058	0.3
82.07977	0.3
85.02907	1.8
97.13020	0.2
105.07054	0.3
110.33978	0.2
117.35500	0.2
127.03964	0.3
131.08528	0.3
145.04971	0.8
145.10072	1.6
146.10481	0.8
153.05429	0.4
156.09351	0.3
159.11691	0.6
160.12018	0.3
169.10162	0.4
190.77711	0.2
196.07532	0.3
197.13332	0.6
201.16338	1.5
202.16693	0.7
219.17590	0.4
255.36571	0.3
309.31491	0.3
331.19717	0.3
347.09485	0.5
365.10678	0.4
399.17798	4.0
450.47775	0.3
561.23041	100.0
561.40106	3.2
562.23462	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	561.231
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
55.23224	0.3
69.30352	1.6
78.96800	0.4
84.73702	0.3
85.02911	0.8
87.10918	0.3
91.05480	0.4
95.08612	0.4
97.02911	0.5
98.22679	0.6
107.08627	0.4
117.15276	0.3
119.08603	0.4
138.80151	0.4
145.10147	0.5
151.03931	1.3
219.17468	1.1
220.73570	0.4
225.07550	0.3
237.18495	0.7
251.04378	0.4
251.16393	0.6
270.63031	0.3
313.04214	0.4
499.45273	0.4
561.23047	100.0
562.23969	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	561.2307
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
51.28331	0.3
53.13986	0.3
60.53238	0.3
69.95715	0.7
77.14463	0.3
81.07072	0.4
85.02897	0.5
85.84172	0.3
92.09753	0.4
93.27775	0.3
95.04967	0.3
95.47286	0.3
97.02937	0.3
129.04500	0.3
139.03885	0.4
157.84320	0.3
159.04193	3.1
163.03917	0.4
163.07530	0.3
179.03453	0.5
196.51306	0.3
217.12399	0.3
219.17459	0.5
246.07675	0.3
279.51938	0.3
324.75110	0.3
383.14633	0.4
399.17624	1.9
403.38049	0.3
488.13123	0.3
546.21503	0.5
560.38062	1.8
561.23151	100.0
562.23535	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	561.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09477	0.6
53.03928	0.8
55.05499	2.3
57.07063	1.3
57.31365	0.6
58.52835	0.5
60.59144	0.4
61.39486	0.5
65.03929	1.8
65.50727	0.5
65.83403	0.5
67.05206	0.6
67.05502	6.1
68.99780	1.4
69.03405	0.6
69.07055	2.2
69.11622	3.6
71.68711	0.5
71.73203	0.5
75.04472	1.2
79.05489	5.2
81.07051	6.8
83.04952	0.6
83.08624	1.0
85.02899	0.6
85.10166	0.8
91.05466	3.4
93.03387	0.9
93.07012	3.0
94.04177	1.0
95.04961	6.5
95.08585	4.7
96.05708	0.7
97.02878	0.5
97.06538	1.1
97.10170	1.0
98.22960	2.9
103.05453	0.7
105.03403	1.2
105.04498	1.2
105.05473	0.7
105.07011	2.3
107.04956	2.8
107.08583	1.3
109.02885	1.7
109.06503	4.7
109.10137	1.2
109.77458	0.5
111.04433	1.7
115.05441	0.7
117.07004	2.1
119.04984	0.8
119.08585	1.6
121.06510	3.7
121.10130	1.0
122.03615	0.7
122.07287	0.9
123.04424	22.4
123.08090	3.0
124.05206	1.6
125.05984	4.7
126.03113	1.4
127.03927	0.8
129.06969	0.7
131.08575	1.6
133.06482	2.1
133.10103	1.0
135.04384	2.0
135.08046	3.1
135.11707	0.8
136.05168	2.3
137.05968	12.6
137.09560	1.3
138.06721	2.6
139.03889	8.4
139.07526	12.1
140.04692	4.7
141.05475	3.7
141.65515	0.6
143.08542	1.0
145.06476	1.6
145.10110	1.5
147.04396	1.0
147.08023	2.0
149.02353	1.1
149.05980	2.4
149.09602	2.0
150.06769	1.0
151.03857	2.1
151.07513	9.8
152.04677	4.3
152.08316	3.4
153.01927	1.0
153.05455	20.3
153.09041	5.9
154.06221	3.7
155.07027	7.2
159.04399	1.2
159.08073	1.4
161.05966	3.3
161.09547	1.4
162.06754	1.0
163.03897	2.5
163.07500	3.1
163.11142	0.8
165.05449	2.2
165.09120	4.1
166.06268	7.7
167.03387	41.7
167.07027	20.1
167.10759	0.8
168.04167	58.1
168.07825	4.4
169.04953	25.0
169.08565	2.7
170.05678	1.0
171.07997	0.5
173.05994	1.0
173.09613	0.7
175.07492	2.8
176.08241	1.4
177.05513	3.1
177.09074	3.4
178.06110	0.7
178.49138	0.5
179.07002	3.8
179.10622	1.5
180.07806	3.6
181.04961	18.5
181.08577	22.6
182.05733	100.0
183.06511	50.1
183.10057	1.7
184.07291	11.4
187.07521	1.4
187.11038	0.6
189.09093	1.8
191.07059	2.9
191.10681	2.0
192.07732	0.8
193.08578	9.5
193.10204	1.0
195.06491	1.9
195.10133	8.9
196.05470	1.3
196.07297	33.0
197.08075	43.8
198.08853	42.4
199.09619	4.8
201.09102	1.3
203.10556	1.1
205.08681	2.9
207.10141	8.4
207.11923	0.8
209.08044	0.7
211.09630	40.4
212.10323	3.5
213.11194	21.7
215.10602	0.8
219.10155	1.5
221.11598	1.2
225.11172	5.7
233.11719	1.1
237.11070	0.9
261.22122	0.7
273.90598	0.5
289.21710	1.2
296.67972	0.5
299.20142	0.7
303.23087	1.5
305.20956	0.6
317.20993	1.6
321.24237	7.2
331.22720	3.2
335.25565	1.0
345.24280	1.5
349.23706	1.6
361.26660	0.6
363.25046	0.7
405.24130	1.1
437.26480	2.7
438.27051	0.7
441.29871	0.8
447.25110	0.7
453.30127	1.0
455.27740	2.6
459.30905	1.5
465.26477	5.4
469.29523	8.0
470.29300	0.7
471.26849	0.7
479.27402	1.1
487.30527	35.1
488.30991	1.2
497.21777	1.1
497.28973	17.1
498.29318	2.2
501.32028	4.7
503.29581	0.6
507.04358	0.6
511.30197	1.0
514.28876	0.7
518.32599	0.8
529.31537	15.6
530.32343	6.6
533.34741	2.1
543.31689	2.9
546.31830	31.6
547.31866	1.4
561.34003	34.3
562.35046	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56364	0.4
55.05291	0.3
55.05510	3.0
59.01939	0.3
67.05507	2.5
69.07066	2.2
69.81739	1.2
81.07061	1.7
83.08602	1.5
84.04498	6.9
89.33463	0.3
91.05460	0.4
93.07007	0.4
95.08603	3.8
97.10159	0.9
98.22820	0.7
98.23377	0.5
101.07132	0.5
105.07021	1.3
108.05744	0.5
109.10130	0.7
121.06522	0.6
121.44082	0.3
123.08065	5.9
130.04999	11.6
133.06407	0.3
135.08018	0.3
137.05978	3.6
139.07588	0.6
147.07640	14.0
151.07532	100.0
152.07855	1.2
159.07990	0.4
163.07518	1.8
165.09157	0.6
177.09105	7.1
191.10654	5.2
196.07213	0.3
205.12187	0.8
207.13737	0.4
207.25079	0.4
219.13782	2.1
221.15350	3.6
233.15405	0.4
247.16919	0.8
261.18655	0.8
305.40176	0.3
345.23642	0.8
345.27847	14.7
361.21790	0.4
388.07019	0.4
415.35684	37.3
416.36023	1.1
457.20596	0.4
457.26782	0.3
561.30939	1.1
561.39594	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	562.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
57.03428	0.6
61.02932	0.5
62.06075	1.8
67.05514	0.5
69.03429	2.2
69.07062	0.7
70.02929	1.1
71.04957	0.7
71.08636	3.7
72.08149	0.6
73.02890	1.4
79.05494	1.1
80.92094	0.4
81.03421	2.7
81.07067	3.1
83.02451	0.4
85.02898	3.4
86.06073	18.6
87.00806	1.8
88.03907	0.4
91.05460	0.9
93.07020	1.4
95.08587	1.6
96.08128	1.4
97.02870	1.9
98.09684	2.3
99.04431	1.2
99.08099	3.6
101.02380	3.2
101.94151	0.5
105.07022	0.8
108.08086	1.6
109.02889	2.2
109.06524	6.7
110.35326	0.5
111.08092	4.9
114.09188	0.6
115.13156	0.5
116.10741	9.5
119.08567	0.7
121.08879	0.5
124.07598	0.7
124.11248	0.8
127.03928	5.0
134.09665	2.7
137.05971	3.4
138.09151	1.0
139.03888	0.5
142.08598	0.9
142.12265	1.5
143.10677	6.1
145.04935	1.7
147.11577	0.4
152.10687	2.4
155.06999	0.8
159.02888	0.7
159.11765	0.6
162.09171	0.7
165.07892	0.5
170.11781	6.4
180.10194	3.1
181.58798	0.5
198.11258	100.0
199.11568	2.2
201.16489	0.5
213.03952	0.8
214.18011	0.7
216.12320	83.9
217.12640	1.6
223.54794	0.5
231.04959	1.4
267.09125	0.6
296.18628	4.2
314.19611	14.4
326.98792	0.5
329.12253	0.9
402.17596	1.7
446.16571	6.2
464.17691	3.6
544.23724	1.5
562.24335	1.2
562.32068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
55.05498	0.6
57.03429	1.3
60.04515	1.0
62.06079	2.1
67.05497	2.3
69.03442	2.8
70.15713	0.6
70.22731	0.9
71.04992	0.8
71.08631	3.6
72.08141	0.5
73.02915	1.9
78.19362	0.5
79.05502	1.3
81.03406	2.0
81.07069	7.0
83.08632	0.8
85.02915	3.5
85.06557	0.9
86.05563	1.1
86.06071	19.6
87.00816	1.3
91.42215	0.5
93.07043	1.6
95.08602	1.2
96.08126	1.6
97.02886	1.2
98.09689	2.4
98.22841	0.8
99.04454	1.2
99.08105	3.2
101.02387	1.9
105.07069	0.6
107.08591	1.2
108.08121	1.9
109.02903	3.3
109.06525	6.7
111.08087	5.3
111.86533	0.5
113.06063	0.6
114.09106	0.6
116.10733	8.8
121.10152	0.7
123.11629	0.7
124.07639	0.7
127.03926	4.3
133.10162	0.8
134.09654	2.3
137.05980	3.1
138.09149	0.7
141.73329	0.5
142.08627	0.6
142.12260	1.9
143.10670	5.0
145.04967	1.5
145.10158	0.7
152.10693	2.6
155.07056	0.8
159.02818	0.7
159.11723	0.9
170.11778	6.1
180.10187	2.4
198.11259	100.0
199.11546	1.8
209.72209	0.5
213.03876	0.9
216.12317	87.8
217.12704	1.0
225.11194	0.8
231.05026	1.1
243.15883	3.5
268.21164	0.6
269.17410	2.1
296.18637	4.5
314.19620	15.7
329.12363	0.6
347.13315	0.6
402.17581	1.5
446.16660	4.8
447.16443	0.8
464.17709	3.9
495.35138	0.6
527.21893	0.9
562.24646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41166	7.5
61.17692	9.6
67.05500	27.1
68.86620	8.0
69.03434	19.1
69.07077	9.2
78.38589	7.2
79.05488	11.4
81.03428	10.4
81.07049	33.1
85.02908	100.0
85.08488	7.7
90.73441	7.3
91.05476	19.9
92.40363	8.5
93.07050	19.1
95.08609	60.5
97.02914	22.9
105.07032	77.9
107.08584	44.7
109.10147	45.8
110.89027	8.8
115.23025	9.1
119.08566	66.4
121.00809	7.6
121.10130	25.7
123.11737	18.7
127.03928	28.8
133.10153	33.7
145.04987	34.4
145.10175	11.5
147.11685	77.8
161.13306	35.1
163.06018	25.4
165.51109	9.2
176.27237	9.5
203.17969	76.9
226.37411	7.7
263.16672	9.6
365.46777	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01858	2.7
55.05508	10.1
57.03431	3.8
57.71781	1.7
61.02911	6.0
67.05501	20.1
69.03429	11.7
69.07067	11.8
69.17164	11.0
69.70338	1.6
71.04998	2.2
72.17131	1.6
73.02914	3.4
79.05490	24.7
80.97079	2.0
81.03413	4.5
81.07053	36.2
83.08636	4.4
85.02902	76.6
85.03420	3.6
87.04491	2.5
91.03941	3.8
91.05478	35.4
93.07037	49.6
95.04958	6.3
95.08602	55.0
97.02886	19.6
97.10162	7.0
99.04448	3.1
105.07020	50.6
107.08588	51.1
109.02874	7.2
109.10146	32.9
117.80573	2.0
119.08569	36.3
121.10141	42.8
123.11693	6.6
127.03916	19.1
130.15224	1.8
133.10130	37.6
133.11130	2.1
133.54414	1.7
135.11635	9.3
145.04939	34.1
147.11678	60.0
158.79126	1.8
161.13283	15.6
163.06017	15.3
163.14850	4.5
175.14828	6.5
203.17940	100.0
204.18425	1.9
221.18962	3.2
223.03596	1.9
325.11075	3.8
554.10547	1.9
562.24652	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
55.01871	3.1
55.05513	13.9
57.03441	5.4
59.05000	1.3
61.02928	1.6
64.01787	0.9
67.05508	19.6
69.03444	7.2
69.07071	15.4
69.13741	5.1
69.14161	1.8
71.05010	2.9
79.05495	18.8
81.03416	23.0
81.07059	16.2
81.77759	1.1
83.04988	3.9
83.08620	12.3
85.02905	7.3
85.15997	1.0
91.05487	12.1
93.07049	13.2
95.04970	9.9
95.08604	6.3
97.02891	6.8
97.06551	2.9
97.10171	10.6
105.07033	12.7
107.04963	5.5
107.08595	9.4
109.06549	1.8
109.10155	6.9
111.04449	1.3
111.08097	3.8
115.55708	0.9
116.06222	0.9
117.07006	4.8
119.04957	1.7
119.08591	11.7
121.06532	1.7
121.10139	4.8
123.08076	2.7
125.09656	7.0
129.05527	1.0
129.07028	3.9
131.08566	6.7
133.06512	2.8
133.10144	4.2
135.08064	2.1
135.11703	2.5
137.09663	2.5
142.07782	1.1
143.08546	2.3
145.06485	1.2
145.10132	3.2
147.08057	3.3
147.11723	3.7
149.09602	2.7
149.13239	1.2
157.10120	4.5
159.11708	1.3
161.09697	2.0
163.11217	1.1
165.09190	1.8
166.68034	1.2
175.11179	4.8
177.12840	1.2
189.11208	4.2
193.12257	10.0
211.13269	5.7
223.13287	14.3
227.12747	3.2
249.14902	2.4
267.15936	20.8
273.18542	6.1
285.16992	11.2
291.19547	73.2
292.19870	3.1
347.22144	1.7
357.01031	1.3
365.23239	100.0
366.23642	3.7
367.22629	1.8
385.23697	2.2
433.25876	1.2
459.27408	10.7
477.28549	8.9
527.29059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18880	0.8
53.03951	1.8
55.01870	7.0
55.05509	9.8
57.03437	8.0
57.07063	0.9
61.02930	2.0
61.35719	0.9
62.95455	0.9
65.03922	1.4
67.05503	40.0
69.03425	4.4
69.07069	10.1
69.87872	1.9
71.05000	8.2
73.02911	1.4
79.05492	26.0
81.03422	13.0
81.07057	42.2
83.04965	8.0
83.08620	6.0
85.02893	7.6
85.06541	4.2
91.03961	1.3
91.05481	36.5
93.07045	23.6
95.04967	10.9
95.08607	11.8
95.74071	1.0
97.02847	1.2
97.06495	4.3
97.10172	1.4
99.04474	2.6
101.06006	0.9
105.07031	30.7
107.04941	6.2
107.08595	24.0
109.06501	6.4
109.10155	37.6
111.04408	1.9
111.08089	3.3
113.05981	2.7
115.05461	1.0
117.07010	4.9
119.08609	7.7
121.06509	3.9
121.10106	5.9
123.08067	2.6
123.11700	6.9
125.09583	2.0
126.17519	0.9
127.07593	2.5
129.05505	2.2
129.07014	3.3
131.08560	8.9
133.06462	5.1
133.10127	52.8
135.08052	5.1
135.11688	1.9
137.09587	1.6
143.08560	2.9
145.10147	3.3
147.08034	2.0
147.11700	4.5
149.09630	6.5
151.11183	25.5
157.08856	0.9
157.10118	3.7
159.08125	1.7
159.11711	2.1
161.09644	6.7
161.13358	1.6
163.11208	2.1
169.12270	4.0
171.11635	1.9
172.19499	0.9
175.11215	2.9
177.09229	2.2
179.10698	1.8
189.12790	2.1
193.12225	3.7
206.35023	1.0
211.13300	3.0
215.12746	3.5
245.19051	3.2
251.12625	2.1
253.14340	95.5
254.14622	2.1
255.17348	1.5
263.20065	3.4
267.15964	6.7
269.13846	2.7
271.15408	15.1
273.18457	12.7
285.17047	6.6
291.19504	15.5
309.20599	1.2
347.22098	6.3
350.55765	0.9
365.23227	100.0
366.23627	3.3
383.24316	2.0
385.23544	1.6
459.27502	5.7
477.28537	8.6
523.61133	1.0
527.28595	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01870	8.1
55.05516	10.8
57.03437	8.3
61.02928	3.0
65.03894	1.0
67.05505	41.8
69.03423	4.1
69.07075	9.5
70.59431	2.2
71.04982	4.6
79.05052	1.3
79.05498	19.5
81.03429	7.0
81.07056	39.8
83.04979	7.9
83.08601	6.2
85.02913	5.2
85.06541	4.2
91.05479	37.4
91.06056	1.4
92.22634	1.1
93.07047	22.2
95.04972	9.2
95.08604	12.3
97.02887	3.2
97.06531	3.7
97.10162	1.4
98.39980	0.9
105.07028	29.9
107.04951	5.5
107.08583	24.3
109.02886	1.3
109.06526	6.7
109.10153	41.8
111.04411	2.4
111.08062	3.5
113.06019	3.0
117.06999	4.0
119.04936	1.3
119.08587	9.2
121.06492	3.5
121.10122	5.5
123.08041	2.7
123.11740	7.0
127.07590	2.7
129.07005	2.5
131.08557	7.3
133.06483	3.3
133.10130	53.2
135.08089	7.6
135.11685	2.5
143.08560	4.0
145.10130	5.0
147.08064	3.1
147.11650	2.3
149.09589	6.8
151.11174	24.5
157.10173	2.3
159.08072	2.6
159.11655	1.5
161.09639	4.3
161.13300	1.6
163.11160	2.2
169.12277	4.0
171.11826	1.7
175.11246	1.7
177.09129	2.3
179.10696	1.6
187.11217	1.4
193.12280	2.0
215.12726	3.2
245.19098	3.7
253.14340	100.0
254.14621	1.9
255.17471	1.6
263.20068	6.7
263.41440	1.2
267.16028	2.3
269.13846	3.5
271.15411	18.4
273.18518	15.2
285.16882	4.2
291.19495	20.1
309.20520	1.4
321.24118	1.7
341.15869	1.4
347.22113	6.1
358.13309	1.3
365.23218	73.6
366.23383	2.0
383.24173	2.8
477.28458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.1
67.05489	3.6
69.07063	2.2
79.05482	2.9
81.07044	5.7
87.98125	1.1
91.05476	3.7
93.07015	3.9
95.08605	3.3
105.07024	1.6
107.04895	1.3
107.08573	2.2
109.06506	2.6
109.10172	2.2
119.08549	1.2
119.25072	1.4
121.06442	1.8
121.10103	1.6
122.46738	1.3
123.04433	2.8
123.08036	2.5
125.06000	1.3
135.08101	1.5
137.05960	18.0
139.03902	5.1
139.07506	4.4
140.04680	2.0
141.05452	3.5
151.07539	24.9
153.05460	3.9
155.07057	1.4
163.07510	1.5
165.09099	2.3
167.03398	2.4
167.07040	9.1
169.04961	11.8
177.09129	2.6
191.10629	3.8
192.07654	1.6
193.08528	2.2
205.08623	3.3
207.08310	1.2
207.10175	1.8
219.10449	1.3
245.02585	1.1
273.07935	1.5
351.78009	1.4
355.52536	1.3
416.50449	1.4
416.55963	1.4
453.26648	1.7
461.81705	1.1
471.27112	3.5
473.18878	1.6
485.28848	4.0
495.27539	3.1
503.29834	5.8
527.29987	100.0
528.30249	4.9
562.41821	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
55.05511	19.4
57.03434	13.8
67.05505	31.0
69.03429	7.9
69.07059	13.9
70.61414	2.9
70.61737	1.8
71.04995	8.4
72.45892	1.6
79.05495	29.9
81.03415	86.9
81.07051	29.3
83.04996	11.5
83.08619	28.8
85.02904	15.5
85.06559	2.3
91.05478	30.4
91.80289	1.6
93.07040	21.9
95.04961	28.0
95.08598	12.3
97.02346	1.4
97.02870	8.2
97.06539	4.3
97.10168	9.4
97.63949	1.7
99.08116	1.8
105.07031	26.1
107.04933	7.8
107.08584	13.3
109.06531	6.6
109.10155	6.2
111.04511	1.8
111.08089	9.2
115.05538	1.6
117.07001	3.8
119.08579	21.1
121.06511	6.6
121.10150	10.7
123.08072	3.9
123.11678	2.3
125.09643	10.1
129.06979	12.9
131.08548	17.3
131.09338	1.7
133.06520	5.6
133.10097	8.7
135.08081	2.5
135.11668	2.0
137.09653	2.1
142.07797	3.5
143.08516	2.0
145.06477	4.6
145.10120	3.6
147.08055	5.7
147.11664	14.1
149.09639	6.4
157.10141	15.0
159.11609	1.7
171.07874	1.8
171.11766	1.7
175.11205	13.5
185.09506	1.6
189.11198	5.5
193.12259	27.4
208.37453	1.8
211.13272	22.0
223.13307	10.1
227.12825	2.9
235.99481	1.7
249.14857	4.1
267.15906	100.0
268.16269	3.3
272.43738	1.5
273.14896	3.2
273.18530	5.2
285.16971	28.8
291.19534	46.0
291.22662	3.5
349.21457	2.8
365.23221	60.2
366.23584	3.2
367.22714	10.9
385.23645	10.0
386.24432	1.8
403.24881	2.9
433.25870	7.7
441.26587	4.5
459.27393	48.7
460.27637	2.2
477.28537	38.9
478.28812	2.2
527.28607	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	562.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20212	6.9
58.54028	8.5
69.16941	18.4
69.17347	27.8
79.94099	8.4
95.08595	9.6
138.06786	8.8
139.03891	21.9
139.07556	7.5
151.07523	11.4
153.05553	12.8
154.06233	56.6
166.06210	8.6
167.07027	18.5
168.04144	14.0
168.07770	18.8
169.04999	25.0
169.08617	16.2
177.05392	9.3
181.08644	22.5
231.54720	8.1
242.20332	7.4
282.67010	8.4
391.66431	7.8
485.28726	13.7
517.31500	100.0
562.28320	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	562.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35899	1.1
53.03960	1.9
54.08141	1.1
55.05257	2.4
55.05513	32.3
57.07072	5.0
65.03941	1.2
67.05507	3.9
69.07062	4.1
69.72886	1.2
70.63704	2.5
78.73395	1.1
79.05510	5.1
81.07068	5.5
83.04982	60.7
91.05490	4.7
93.07049	9.8
95.08604	7.7
97.10143	2.0
105.07034	8.6
107.08578	10.2
109.10146	6.4
117.07052	2.7
119.08564	10.5
119.09153	1.0
121.10110	7.7
123.11720	1.5
125.49467	1.2
129.07028	3.2
131.08597	6.6
133.10165	2.8
135.11691	20.8
137.05890	1.5
137.09641	4.8
140.26701	1.3
141.07045	2.1
142.07809	1.4
143.08543	7.8
145.10141	6.0
147.07954	1.4
147.11690	4.6
151.07579	4.3
153.05617	1.2
153.06947	1.3
155.08585	4.0
157.10150	8.0
159.11687	5.8
161.09625	1.6
161.13277	2.9
163.11191	3.6
165.06998	2.2
166.06296	1.3
166.07773	2.6
167.08617	6.7
168.09291	1.9
169.10130	3.7
171.11707	4.5
173.13290	4.2
175.11206	1.3
179.08553	2.7
180.09325	3.3
181.08553	2.6
181.10101	23.1
182.10675	2.2
183.11737	7.1
185.13281	7.0
187.14796	7.9
189.12810	2.6
193.10138	2.1
194.10899	2.0
195.11687	14.4
196.07469	1.1
197.13252	4.3
197.45638	1.2
199.14790	6.7
201.12917	1.5
203.14331	2.1
203.72993	1.1
208.12399	2.4
209.13216	11.6
211.14813	2.6
213.12811	1.9
213.16444	1.8
221.13402	1.3
223.14799	19.4
223.16812	1.6
225.16403	3.4
227.14330	8.5
237.16312	7.5
239.17973	4.3
240.88280	1.2
241.15952	1.9
241.19499	1.3
250.17079	1.5
255.17384	1.4
255.18634	1.2
255.21036	7.9
265.19510	51.4
266.20212	1.5
279.32474	1.4
283.20557	100.0
284.20813	2.8
301.21799	2.6
311.66309	1.3
325.21426	2.4
343.22592	1.7
365.24582	10.0
383.25797	9.3
385.27478	1.4
443.27536	2.6
475.48801	1.2
485.32605	4.0
505.04590	1.4
563.32056	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	562.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.4
67.05512	8.2
69.07058	2.4
69.69486	5.1
71.08617	1.5
79.05486	5.4
81.07050	6.1
83.08605	1.3
83.81453	1.2
91.05463	6.2
93.07053	3.1
95.04975	6.5
95.08595	5.6
95.30665	1.3
97.10136	1.2
98.22894	3.3
98.23450	1.4
103.05410	1.4
105.07040	3.0
107.04947	6.0
107.08627	1.8
109.06496	3.0
109.10178	1.7
110.03672	1.4
111.04460	2.5
115.77303	1.3
117.07023	2.3
119.08537	1.5
121.06493	11.6
121.10167	1.5
123.04438	14.6
123.08069	3.6
124.05216	1.9
125.06008	10.2
131.08652	1.4
133.06499	3.0
135.04407	1.6
135.08031	4.7
137.05968	23.1
138.06734	3.6
139.03893	13.8
139.07521	8.5
140.04678	4.2
141.05447	5.4
147.04494	1.3
147.08040	1.4
149.05968	1.5
151.07542	86.6
152.04684	23.0
152.08018	1.2
153.01819	1.8
153.05457	27.2
153.09102	2.8
154.02521	1.4
154.06235	23.0
155.03392	4.0
155.07028	4.1
159.08032	2.1
161.05989	4.1
161.09576	1.9
163.03847	4.1
163.07578	3.8
165.09123	10.7
166.06262	13.6
167.03395	10.1
167.07042	34.0
168.04176	100.0
168.07877	8.4
169.04964	20.7
169.08582	7.1
170.05804	1.7
173.06009	1.1
175.07536	4.9
175.48962	1.2
176.08308	2.3
177.05490	3.6
177.09087	12.9
179.06972	6.3
181.04883	1.5
181.08586	14.8
182.05731	10.6
182.09074	1.5
183.06526	32.8
183.10139	3.8
189.09085	2.5
191.07028	3.8
191.10622	5.8
193.08580	14.0
196.07306	2.1
197.08044	4.0
205.08525	2.4
207.10185	10.6
213.07530	3.4
215.98048	1.3
221.11688	4.3
226.41216	1.2
287.09320	1.5
302.04883	1.3
331.22565	1.6
425.26740	1.5
435.25461	1.8
453.26407	19.2
454.26852	2.6
457.29535	2.0
467.28098	6.1
485.29074	39.0
489.28235	2.2
499.30267	5.2
502.28815	2.3
513.28259	3.7
517.32123	32.8
545.31409	6.6
562.31232	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
57.07064	4.8
59.04984	1.4
60.73311	1.4
62.24669	1.2
67.05495	5.8
69.07056	4.7
69.70335	3.5
73.71613	1.3
79.05489	8.0
81.07056	10.7
83.04965	2.2
83.08627	3.1
85.06532	1.9
91.05486	7.9
93.07040	18.1
95.04958	2.4
95.08599	14.1
97.10177	2.4
98.22745	2.6
98.23290	3.0
105.07014	13.2
107.08597	22.3
109.10160	12.0
117.07026	4.0
119.08575	22.8
121.06506	1.7
121.10151	17.5
123.08063	3.4
123.11703	1.6
125.09619	2.7
129.06995	3.4
131.08556	10.2
133.10101	8.3
135.08098	1.7
135.11688	28.5
137.05998	2.9
137.09607	8.2
141.06953	1.8
143.08588	10.3
145.10100	10.5
146.10376	1.4
147.11673	5.6
149.09622	3.0
151.07544	31.1
153.06924	2.1
155.08557	4.7
156.09308	1.8
157.06410	1.4
157.10118	13.2
159.11708	6.3
161.13264	4.7
163.11208	4.3
165.06976	3.5
166.06348	2.3
166.07797	4.1
166.84811	1.3
167.07141	2.7
167.08554	11.4
168.09303	2.8
169.10219	7.1
171.11667	12.2
173.13246	8.6
175.11186	4.5
177.08978	1.9
179.08553	4.5
180.09303	3.8
181.04987	1.8
181.08641	3.5
181.10106	27.6
182.05792	1.9
183.06493	2.0
183.11661	8.8
185.13263	11.6
187.14912	3.0
189.12730	4.4
191.10719	2.4
191.14301	1.4
193.10130	1.8
194.10950	3.1
195.11673	18.7
196.07291	2.7
197.13286	6.2
199.11145	2.0
199.14758	8.5
201.12756	3.0
203.14169	2.3
207.11742	2.4
208.12524	2.7
209.13219	19.8
211.09671	1.5
211.14803	4.3
213.12766	3.5
213.16335	2.9
219.13773	1.5
221.13295	1.7
223.14804	21.6
225.16368	9.6
227.14348	7.1
235.14824	1.5
237.16367	8.7
239.17937	4.8
241.15712	2.0
241.19496	3.0
253.08260	1.6
255.17422	1.5
255.18625	1.7
255.21034	12.3
265.19498	76.3
266.19797	1.8
283.20554	100.0
284.20880	3.7
301.21591	22.6
325.21619	23.2
343.22592	10.0
345.27765	3.4
403.24887	1.5
415.35617	10.6
547.29181	1.6
562.31134	3.1
562.39569	4.6
563.31586	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05507	11.4
57.03434	5.9
57.07060	2.9
59.05006	1.2
61.02914	0.8
65.03934	2.7
67.05504	61.8
69.03429	1.7
69.07066	8.0
71.04992	52.5
71.43633	0.7
73.06536	0.8
79.05045	1.2
79.05492	20.1
80.47291	0.7
81.03435	0.9
81.07056	96.9
82.07381	1.1
83.04972	6.5
83.08624	7.9
85.06548	11.2
87.04472	1.1
91.05481	33.8
92.05782	0.9
93.07044	23.5
94.62698	0.9
95.04997	4.0
95.08611	10.7
96.36189	0.7
97.06521	7.4
97.10165	2.0
99.08088	2.4
103.03910	0.9
105.04517	0.8
105.07027	17.4
107.07929	1.3
107.08598	16.6
109.06512	3.1
109.10155	10.6
110.10464	0.7
111.08081	2.6
115.32944	0.8
117.07018	5.5
119.08578	2.7
121.06556	1.0
121.10144	6.4
123.04431	1.6
123.08037	1.2
123.11705	21.8
125.09623	1.3
127.07530	0.8
129.07043	0.8
131.08572	6.3
133.10123	28.7
135.11687	5.0
136.66949	0.8
139.11192	1.1
147.11646	1.2
149.06058	1.1
149.09625	1.4
149.13261	9.1
149.46852	0.7
151.11179	14.1
157.10191	0.8
159.08040	0.7
159.11699	7.0
161.05969	1.9
165.12796	0.9
169.12251	2.6
173.06036	0.8
177.12735	3.7
179.14339	1.2
183.13774	7.4
187.13356	6.6
189.09187	3.6
195.13802	4.6
201.09122	1.4
201.14952	2.6
203.10667	2.3
215.10739	0.8
225.14896	2.9
227.16521	1.0
229.12137	0.9
257.17331	3.6
257.78256	0.8
265.16339	0.9
269.17453	5.2
283.18948	1.1
285.17072	1.6
301.20068	34.1
419.27475	0.8
425.28952	6.1
437.28943	5.0
451.30472	6.4
453.32172	0.9
463.30219	3.6
465.25928	1.2
469.31622	100.0
470.32120	3.8
483.33362	10.6
495.33188	20.1
527.35797	40.6
528.36438	1.8
544.36914	1.1
562.33862	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	562.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.5
57.07078	87.9
67.05497	2.4
69.32433	6.9
73.06558	1.7
79.05478	2.9
87.04472	17.4
89.06033	100.0
91.05486	12.9
93.07052	8.1
95.04984	3.3
99.11727	3.4
105.07004	3.0
107.04982	2.1
107.08601	3.1
117.07017	2.5
118.07789	7.9
119.04958	3.7
119.08565	7.0
121.06509	32.7
121.10105	1.8
123.08080	2.0
130.08624	3.1
131.07030	6.9
132.88103	1.7
133.08611	68.1
135.08029	8.3
135.11711	4.8
138.34541	1.4
146.91612	1.5
147.08005	10.1
149.09621	3.1
150.06721	2.8
163.11195	6.6
165.09148	15.4
167.10683	2.6
175.09650	4.5
177.11227	30.8
177.12697	1.4
191.10664	4.5
193.12334	2.2
207.26105	1.4
209.11729	6.6
211.13225	2.2
219.15462	1.3
219.17455	25.4
220.86864	1.6
221.13844	8.3
235.13223	4.2
245.18959	4.6
253.14340	1.8
255.15976	3.0
261.22119	2.4
263.20090	37.4
265.16577	2.1
279.15601	1.5
283.17538	2.0
289.21616	3.8
307.22635	13.0
315.18033	2.0
359.20486	2.4
403.23343	2.2
447.25919	10.7
457.31577	2.0
501.34128	1.9
545.36841	34.4
562.28040	2.2
562.39233	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	562.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	15.2
57.03442	13.2
57.09548	13.6
66.60998	11.9
67.05508	35.5
71.05087	10.7
75.43237	10.8
81.07061	34.8
83.08625	11.7
84.41420	13.0
86.09702	70.0
95.08606	36.1
98.23473	18.0
109.10168	22.7
121.10148	14.3
141.10674	11.3
162.95573	22.3
162.98828	13.8
164.95360	36.8
173.04530	17.0
211.77245	11.7
245.22604	38.9
263.23685	47.5
325.51373	13.7
337.27145	20.9
374.09854	13.4
463.23389	23.5
503.23700	100.0
558.48187	12.9
562.31360	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	41.6
67.05497	7.5
69.07076	8.9
74.75801	3.4
79.05482	7.3
81.07052	14.5
83.04979	82.5
83.08612	3.6
84.66152	3.1
91.05488	14.2
93.07042	31.2
95.04973	5.7
95.08610	22.5
105.07054	15.1
107.08578	36.4
108.02563	3.6
109.06468	3.6
109.10162	19.3
113.88567	3.9
117.07008	3.4
119.08552	20.4
121.06513	5.0
121.10155	28.7
123.08046	5.1
123.11701	8.9
131.08569	10.2
133.10106	10.7
133.99730	3.5
135.11674	27.1
137.05998	8.1
137.09572	7.8
139.07549	13.8
139.11168	6.1
141.06940	5.0
143.08540	12.9
145.10129	10.3
147.11670	8.1
151.07539	17.6
156.09346	5.3
157.10104	13.7
159.11723	9.8
161.13217	8.7
163.11223	7.7
167.07027	28.2
167.08418	8.1
169.10118	5.8
171.11674	11.9
173.13306	8.6
181.10118	15.4
183.11711	7.3
185.09656	5.9
185.13225	11.1
189.12735	4.8
195.11711	12.0
197.13272	5.1
199.14825	9.7
209.13199	16.8
213.12790	4.7
213.16301	7.0
223.14749	19.1
227.14334	9.5
237.16365	5.4
241.19484	3.8
255.21031	14.7
257.18982	12.3
265.19458	31.0
268.47424	4.0
283.17545	7.1
283.20538	100.0
301.21634	59.3
357.96976	3.9
365.24677	5.3
383.25739	13.2
385.41046	3.6
401.26923	23.5
503.33447	4.7
527.33252	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	563.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.0
66.81586	0.4
70.79481	0.4
71.44960	0.6
84.96033	4.6
85.02911	0.5
93.07057	0.6
98.97584	32.4
102.97033	0.5
107.04953	1.1
107.08611	0.8
109.10160	1.3
110.97569	8.2
112.99135	1.7
116.98625	8.9
124.99138	1.7
126.09166	0.5
128.98607	6.4
134.99677	1.2
137.05968	0.8
139.03925	0.8
140.00203	0.6
140.98599	2.4
142.14203	0.4
143.00183	4.0
144.98087	1.3
146.99677	2.1
152.98584	2.8
155.00172	1.0
158.99663	8.0
161.01212	3.4
162.99159	1.2
170.99658	6.0
173.01236	0.5
177.00734	4.6
182.99677	1.3
185.01208	0.6
189.00714	3.3
201.00703	3.0
207.01819	0.5
213.00731	2.5
217.96115	0.4
219.01768	15.6
223.13501	0.5
224.00304	0.5
225.08168	0.6
231.01826	1.7
232.01657	0.5
233.15527	0.6
237.02824	14.5
243.09001	0.6
249.02791	1.1
255.03923	0.7
260.04568	0.5
269.10596	1.0
273.02609	0.6
287.11728	2.3
291.04010	0.7
311.11734	1.0
321.10193	0.6
329.12857	1.4
371.13724	2.5
389.14819	40.2
390.15344	0.8
407.15860	12.2
408.16605	0.5
412.16357	1.2
503.18015	100.0
504.18454	2.7
521.19049	3.0
544.20581	1.7
545.39038	0.5
563.20105	10.3
564.18744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.0
66.81586	0.4
70.79481	0.4
71.44960	0.6
84.96033	4.6
85.02911	0.5
93.07057	0.6
98.97584	32.4
102.97033	0.5
107.04953	1.1
107.08611	0.8
109.10160	1.3
110.97569	8.2
112.99135	1.7
116.98625	8.9
124.99138	1.7
126.09166	0.5
128.98607	6.4
134.99677	1.2
137.05968	0.8
139.03925	0.8
140.00203	0.6
140.98599	2.4
142.14203	0.4
143.00183	4.0
144.98087	1.3
146.99677	2.1
152.98584	2.8
155.00172	1.0
158.99663	8.0
161.01212	3.4
162.99159	1.2
170.99658	6.0
173.01236	0.5
177.00734	4.6
182.99677	1.3
185.01208	0.6
189.00714	3.3
201.00703	3.0
207.01819	0.5
213.00731	2.5
217.96115	0.4
219.01768	15.6
223.13501	0.5
224.00304	0.5
225.08168	0.6
231.01826	1.7
232.01657	0.5
233.15527	0.6
237.02824	14.5
243.09001	0.6
249.02791	1.1
255.03923	0.7
260.04568	0.5
269.10596	1.0
273.02609	0.6
287.11728	2.3
291.04010	0.7
311.11734	1.0
321.10193	0.6
329.12857	1.4
371.13724	2.5
389.14819	40.2
390.15344	0.8
407.15860	12.2
408.16605	0.5
412.16357	1.2
503.18015	100.0
504.18454	2.7
521.19049	3.0
544.20581	1.7
545.39038	0.5
563.20105	10.3
564.18744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11175	0.4
62.67080	0.4
63.98351	0.4
64.43008	0.5
69.50612	1.8
70.13742	0.4
71.90987	0.4
74.02438	0.5
91.05479	0.9
91.78465	0.4
98.22702	0.8
115.05423	0.8
117.05722	0.6
117.06997	1.1
118.06544	16.7
130.06552	1.0
131.71245	0.4
132.08087	4.3
142.06525	1.1
143.07300	1.7
144.06941	0.6
144.08083	12.4
146.06007	56.3
147.06374	0.8
159.09178	5.2
160.07617	1.2
170.06006	4.1
187.86430	0.4
188.07065	100.0
189.07349	1.9
194.57259	0.4
197.08130	0.4
205.09721	44.9
206.10037	0.6
305.87277	0.5
315.80615	0.4
356.23483	0.4
447.38925	0.4
485.19952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60765	0.6
54.15681	0.5
55.05501	1.7
57.32142	0.5
67.05524	0.5
69.03461	0.6
70.71406	0.5
70.71765	0.6
79.05504	0.8
81.07056	0.8
83.04987	3.9
84.05306	0.6
86.91025	0.5
91.05514	0.6
93.07037	0.7
104.54010	0.5
105.07060	0.8
106.95189	0.5
107.08614	0.7
109.10159	0.5
119.08578	0.9
121.10160	1.0
135.11716	1.4
136.11981	0.8
137.06001	0.6
141.62430	0.5
143.08565	0.9
145.10095	0.6
146.10507	0.5
151.07581	1.7
157.10220	0.6
165.09067	1.2
167.07027	0.7
167.08601	0.6
168.08961	0.5
173.03085	0.5
181.08522	0.5
181.10086	0.9
182.10516	0.8
183.06543	0.8
188.15135	0.6
195.11809	0.7
209.13185	1.0
210.13557	1.0
223.14893	1.1
224.15228	0.7
239.18208	0.6
265.19528	2.3
266.19965	1.8
283.20526	3.4
284.20886	4.6
366.25021	0.6
429.26147	1.1
459.30878	0.7
486.33218	0.8
487.26801	1.7
501.24591	1.0
501.31805	0.6
513.28302	1.1
517.31024	2.4
531.29327	5.5
533.27142	3.5
548.29767	1.5
563.31903	100.0
564.32343	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	564.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01867	1.5
55.05497	2.5
55.24358	0.5
55.77687	0.6
57.03427	3.5
58.54208	0.6
59.16396	0.7
61.02922	2.3
67.05496	0.7
68.99772	0.8
69.03427	7.8
69.32560	1.0
69.32954	2.4
71.04959	0.6
73.02919	6.0
76.77266	0.6
79.05482	2.9
81.03402	2.9
81.07066	1.6
83.04967	1.3
85.02903	16.1
87.00829	2.9
87.04434	0.8
91.05470	4.9
91.37146	0.6
93.07049	8.0
95.04975	1.9
95.08582	1.3
97.02899	8.0
99.04468	1.6
101.06128	0.7
103.03941	1.3
105.01860	3.3
105.04489	0.7
105.07032	4.0
107.04950	20.1
107.08576	2.1
109.02862	3.6
109.06518	1.1
109.10087	0.9
110.06649	0.6
111.04449	1.5
115.03928	3.0
116.06242	0.9
119.04910	0.6
119.08571	2.5
121.06500	6.5
121.10136	7.0
123.04419	0.7
123.08053	1.2
125.02345	1.8
127.03886	6.8
131.08556	3.0
132.06555	0.9
133.06540	1.2
133.10190	1.1
134.07266	1.5
135.11656	0.9
137.05959	1.1
139.03902	0.8
143.08565	0.7
145.04932	2.6
145.06470	2.9
147.02800	0.7
147.08086	0.9
147.11757	0.9
149.05965	2.4
149.09612	100.0
150.07620	2.6
150.09933	1.4
151.03915	2.3
157.10077	0.8
159.02798	1.0
159.08057	0.8
159.11813	0.7
160.68121	0.6
161.05997	1.2
161.09662	0.9
163.06078	1.0
163.07524	1.8
163.11156	5.6
165.05563	0.9
169.04926	1.1
171.02934	0.7
173.06007	0.8
173.09619	1.1
174.40108	0.7
175.11176	1.2
177.05382	0.9
181.04970	1.1
187.07596	1.2
187.11214	1.1
189.03986	3.4
189.09056	1.4
191.10658	5.7
196.90285	0.6
199.06053	0.9
199.14909	0.7
203.10571	3.2
205.12222	7.9
213.03952	1.0
215.10660	3.4
217.15822	0.8
223.06061	1.7
223.13271	5.3
229.12212	1.5
231.04985	1.2
233.11639	0.7
233.46033	0.7
235.16893	3.0
239.10649	1.4
241.07095	2.2
245.11705	2.4
251.10971	0.7
253.17847	1.1
257.11679	5.4
263.12793	2.2
273.06015	2.4
275.10043	0.7
275.12656	4.0
327.06927	0.8
329.55609	0.6
345.07925	0.7
361.12860	2.5
363.09167	1.1
379.13715	3.1
453.22516	0.8
505.62561	0.9
529.14575	0.7
550.32037	0.8
564.26324	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	564.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02140	0.7
53.03938	2.4
55.01875	3.1
56.34167	0.7
57.03426	1.6
61.02919	1.9
62.26721	0.6
67.63103	0.6
68.99780	0.9
69.03423	6.2
69.16866	3.4
69.17281	1.0
71.04996	2.1
73.02908	2.7
75.04446	0.7
79.05527	0.8
81.03006	0.9
81.03426	7.6
81.07021	1.1
85.02901	13.6
87.00824	6.8
87.04471	1.0
91.05473	0.8
93.07061	0.8
95.08599	1.1
97.02896	8.2
98.23462	1.1
99.04453	3.4
105.01863	3.5
105.07008	0.9
107.81441	0.8
108.04478	1.9
109.02885	7.6
117.01813	1.0
126.05532	1.0
127.03915	10.4
129.01823	0.8
133.10115	1.7
136.22018	0.7
145.04953	4.7
151.07509	2.2
152.08305	0.8
159.02859	3.6
163.07532	2.3
166.06206	1.0
175.07605	1.8
177.09128	1.0
179.10677	5.1
181.04945	5.4
181.08603	0.9
183.06508	2.1
189.09103	2.1
190.09871	10.0
191.07011	4.6
191.10667	1.6
196.07301	21.0
198.08864	4.9
203.17998	1.0
205.08711	1.4
206.09372	14.7
207.10162	6.5
210.08824	3.5
211.09651	15.6
217.15984	1.6
221.11719	48.2
222.12473	3.2
225.11223	2.0
231.05061	1.2
231.62520	0.7
235.16948	2.1
237.11246	5.9
241.55106	0.6
248.07695	1.4
249.11205	0.8
253.14351	1.5
281.13824	100.0
282.14221	3.4
299.14859	2.1
564.29932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49063	0.2
57.03426	0.3
57.07075	22.0
58.07389	0.2
61.02921	0.7
61.21330	0.2
61.85732	0.2
69.03429	1.1
71.04972	0.2
71.08621	0.3
73.02885	0.4
79.05503	0.5
81.03411	0.7
81.07047	0.4
85.02902	7.2
91.03954	0.3
97.02876	1.9
98.23547	0.4
99.21091	0.2
107.04954	1.0
107.08600	0.2
109.02859	0.7
123.04422	0.6
125.05989	19.5
126.06465	0.2
127.03931	1.8
133.10085	0.3
145.04945	3.7
163.06001	1.2
179.58531	0.2
180.08598	0.4
183.04193	0.2
189.16449	0.3
203.18053	0.4
217.15959	0.3
223.16919	100.0
224.17264	2.6
229.18042	0.3
235.16879	0.7
247.16879	1.0
253.18071	0.3
265.17908	0.3
289.18015	0.6
297.07504	0.7
349.20047	1.1
504.15939	0.3
505.16071	0.5
564.24335	0.3
565.21216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
53.12157	2.3
55.01865	5.0
55.05506	5.6
56.96575	4.2
57.03432	26.6
59.04994	6.3
67.05496	13.3
69.03427	87.8
69.07072	8.4
71.04984	2.7
71.44157	2.2
73.02918	3.9
75.04448	2.3
79.05489	9.8
81.03412	32.0
81.07055	29.8
83.04981	6.5
83.08617	3.2
84.96062	2.6
85.02905	63.8
87.04463	56.4
91.05481	25.5
91.73217	2.4
93.07037	23.8
95.04970	17.7
95.08598	21.0
95.56485	2.6
97.02887	79.0
97.06547	3.5
98.97580	22.4
99.04456	2.3
105.07032	33.0
107.04953	7.5
107.08591	22.4
109.02918	3.0
109.06516	9.7
109.10152	9.7
110.97614	6.6
111.08069	2.7
111.97861	2.3
115.03117	5.4
115.03928	100.0
116.98653	5.8
117.07014	12.8
119.08573	29.3
121.06509	5.5
121.10151	11.7
123.04437	4.6
123.08072	3.4
123.11681	16.3
127.03941	10.1
128.06226	6.1
128.98592	6.0
129.07016	12.4
131.08557	29.4
133.04961	96.0
133.06493	4.6
133.10112	32.4
135.08064	2.9
135.11687	12.6
137.05928	4.0
139.03897	7.4
141.07037	3.5
142.07773	8.4
143.08563	25.5
145.04970	9.4
145.10114	23.3
147.08040	11.1
147.11661	13.4
149.09648	2.9
149.13240	3.5
151.11174	3.1
155.08598	3.8
156.09361	3.2
157.10091	24.1
158.99591	4.4
159.11694	15.6
161.09604	11.8
161.13228	11.7
167.07059	4.7
169.05046	3.6
169.10147	4.2
170.99657	2.7
171.11626	10.9
173.09738	2.9
173.13272	15.1
175.11223	4.2
175.14818	5.4
177.05424	2.9
187.14778	10.0
189.16321	11.2
191.14372	4.5
197.13362	3.2
199.14813	35.6
205.15913	6.7
213.12872	2.8
215.14369	2.8
217.15869	77.8
219.01772	8.7
223.06131	3.4
235.16898	73.9
237.02809	8.1
238.03043	3.1
238.45731	2.4
241.15878	2.4
259.08163	6.8
259.16815	3.2
277.09268	3.6
277.18021	10.3
283.16711	3.1
295.10254	7.3
313.17865	3.4
319.19083	2.9
331.18826	3.1
367.21057	5.9
389.14700	10.9
390.15198	24.2
408.15878	4.2
503.18036	2.6
504.18320	28.2
522.19177	13.8
564.20581	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59658	1.6
53.03948	1.8
53.99677	2.0
55.01871	8.7
55.05510	15.8
57.03437	16.7
57.07080	2.0
61.02931	5.6
62.99996	1.7
63.06775	1.8
63.71955	1.9
67.05506	47.6
67.05867	2.6
69.03432	7.0
69.07062	27.5
69.27122	4.5
69.27529	5.5
71.01345	1.8
71.04993	5.7
71.34485	1.7
73.02926	4.2
75.70530	1.4
79.05492	41.5
81.03419	10.0
81.07055	69.6
83.04961	9.8
83.08617	12.6
85.02904	6.7
85.06557	3.9
91.03927	2.8
91.05477	31.0
93.07045	49.9
95.04971	9.1
95.08607	26.1
97.02901	7.2
97.06538	17.2
97.10169	4.9
99.04460	3.0
99.08104	2.0
105.07027	22.5
107.04973	5.9
107.08594	30.2
109.02880	2.3
109.06517	6.5
109.10169	7.8
111.08093	7.1
117.07004	13.9
119.08583	23.7
121.06517	6.0
121.10131	17.3
123.08018	2.6
123.11731	3.8
125.09646	4.2
127.03900	5.1
129.05496	1.8
129.07027	3.7
131.08548	21.1
133.10123	21.0
135.08080	5.2
135.11691	19.8
137.09628	3.0
143.08620	3.2
145.10068	11.6
147.11693	7.9
149.09607	11.7
149.13249	14.8
151.11235	2.4
155.08575	2.5
157.10100	4.4
159.11696	26.1
161.13245	4.9
163.11189	11.3
171.11723	4.1
173.13269	7.5
175.11189	2.2
177.12738	22.6
179.14326	7.6
181.12210	3.5
195.13776	8.5
197.13298	2.3
205.12451	1.8
227.12859	3.7
229.14317	3.9
239.17892	4.3
247.20477	2.3
251.16469	3.7
255.15889	47.7
257.19019	10.0
269.17471	100.0
275.20047	26.7
307.54941	1.9
308.90884	1.9
328.73996	1.7
349.23734	65.1
367.24765	23.1
413.21738	3.2
461.88199	2.0
511.28848	2.5
565.18579	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71968	1.3
55.01866	3.4
55.05511	14.3
57.03427	5.1
57.07082	2.1
61.02914	2.9
67.05497	21.4
69.03428	4.2
69.07071	10.6
70.85976	2.2
71.04984	3.4
71.08628	13.3
79.05486	14.9
81.03402	11.9
81.07051	23.7
83.04952	4.3
83.08625	7.9
85.02899	4.7
85.06544	1.7
91.05470	13.3
93.07043	13.7
93.20055	1.3
95.04964	10.0
95.08610	9.2
97.02895	3.4
97.06505	2.3
97.10161	8.1
99.08076	10.5
105.07018	10.1
107.04945	4.9
107.08582	10.7
108.05701	1.4
109.06513	4.6
109.10133	9.6
111.08072	2.6
116.81817	1.1
117.07026	3.5
119.08591	7.3
121.06474	4.8
121.10162	6.1
123.11695	2.0
125.09624	5.4
127.03938	1.3
129.06923	3.1
131.08545	5.5
133.10104	12.1
135.08002	2.0
135.11716	3.5
137.09630	2.2
139.11107	1.2
143.08577	1.4
145.10123	3.0
145.17751	1.2
146.65477	1.1
147.11647	3.5
149.09595	2.8
149.13309	3.1
151.11197	5.2
153.09074	1.3
156.20473	1.3
157.10175	2.8
159.11697	2.8
163.11157	3.1
165.12744	1.6
167.10680	1.5
175.11121	2.6
177.12791	1.4
189.11180	2.2
193.12210	7.3
211.13269	4.1
227.12747	2.8
229.14355	1.6
229.72136	1.2
229.74471	1.2
247.20506	3.0
249.10948	2.3
259.20480	2.0
267.15860	7.4
269.17398	3.3
275.20044	14.3
283.15036	1.5
285.16922	18.0
285.57568	1.4
286.17389	1.6
293.21075	85.8
294.21454	2.4
349.23624	4.0
351.25253	3.3
367.24780	100.0
368.24948	3.0
435.27295	3.4
447.27368	2.7
461.28763	12.7
529.29614	1.7
565.29932	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76400	1.1
53.03962	2.0
55.01875	4.4
55.05510	12.1
57.03442	5.0
57.07072	1.4
65.03957	1.7
67.05508	29.8
69.03426	3.3
69.07082	6.5
71.04987	6.9
71.08636	2.7
79.05491	16.8
81.03421	10.4
81.07058	28.4
83.04990	4.7
83.08620	5.2
85.02901	3.1
85.06547	3.1
91.05486	23.4
93.07047	15.5
95.04962	9.5
95.08611	13.7
97.02888	1.7
97.06554	2.3
97.10179	3.8
99.08113	2.5
105.07033	16.8
107.04945	6.3
107.08591	14.0
109.06520	4.3
109.10154	25.5
111.04451	2.4
111.08086	1.6
117.07037	2.8
119.08581	9.4
121.06495	2.4
121.10124	6.5
123.08091	4.9
123.11694	4.4
125.09622	3.6
129.06999	2.9
131.08568	4.2
133.10121	26.0
135.08101	2.8
135.11720	5.5
137.09619	6.6
145.10138	5.6
147.07974	1.6
147.11711	4.3
149.09618	3.3
151.11180	13.4
151.60014	1.4
159.11740	2.5
161.09755	1.6
163.11201	5.3
165.09180	1.6
169.12242	2.4
173.11745	2.1
173.13203	1.6
175.11195	2.2
184.12105	1.3
191.10706	1.8
193.12297	1.9
209.11731	1.5
253.14336	12.2
267.15805	6.5
271.15442	4.1
275.20041	13.2
285.16873	9.5
293.21097	6.4
349.23727	8.9
367.24786	100.0
368.25177	2.6
385.26138	7.2
403.25882	1.8
421.25769	3.5
447.27438	19.6
479.29874	2.2
498.40823	1.4
529.29968	2.7
564.34918	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.5
54.78117	1.6
55.01869	7.0
55.05515	19.0
57.03437	15.7
57.07070	4.2
59.62020	1.6
59.75932	1.5
61.02913	6.9
62.01683	1.6
64.09778	1.5
65.03941	2.3
67.05502	62.4
67.82764	2.0
69.03438	8.5
69.07067	25.9
70.24953	4.4
71.04989	5.8
77.03925	2.0
79.05486	43.3
81.03413	12.5
81.07052	77.3
83.04996	11.3
83.08627	13.3
85.02905	7.5
85.06540	3.9
89.35787	1.7
91.03986	2.0
91.05466	34.9
93.07038	55.6
95.04948	12.7
95.08603	32.1
97.02891	5.0
97.06538	21.8
97.10166	5.9
99.04450	1.8
99.08075	4.4
103.03944	2.8
105.04492	2.6
105.07021	26.6
107.04944	9.7
107.08584	32.1
109.02888	1.9
109.06511	6.5
109.10146	10.8
111.04410	2.2
111.08063	8.7
117.07013	15.8
119.08587	22.2
121.06499	3.5
121.10145	21.4
123.08078	4.5
123.11700	5.4
125.09620	5.7
127.03903	3.7
129.06999	5.6
131.08553	21.8
132.73804	1.6
133.10130	21.8
135.08009	4.7
135.11694	21.9
137.09613	3.8
138.55043	1.8
139.11189	2.9
143.08571	5.3
145.10100	17.6
147.08037	1.7
147.11696	12.7
149.09601	11.6
149.13260	17.4
151.11169	2.9
157.10155	5.0
159.11685	29.4
161.13243	7.3
163.11244	8.3
169.10049	2.2
171.10223	3.5
171.11609	4.8
173.13272	7.1
177.12723	25.1
179.14307	10.3
181.12250	3.3
183.11702	2.4
187.11290	1.9
187.14799	2.1
191.14320	2.1
195.13823	10.0
197.13217	2.7
227.12775	6.7
229.19548	3.7
239.17981	3.2
247.20575	2.2
251.16228	4.4
255.13451	3.6
255.15906	47.5
257.18954	10.5
267.15707	3.1
269.17453	100.0
270.17682	3.2
275.20050	30.6
285.17340	2.2
289.87589	1.9
309.20581	2.9
349.19406	3.7
349.23709	65.2
350.23907	2.0
367.24716	19.4
389.17743	1.9
419.24121	2.1
511.28909	2.1
565.26135	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97264	1.1
53.03947	3.1
54.62888	1.1
55.01881	3.8
55.05510	15.2
57.03437	12.1
57.07073	2.1
61.02931	4.2
65.03943	2.0
67.05505	51.6
69.03426	6.6
69.07067	22.7
71.04999	4.3
73.02914	1.6
75.04523	1.4
79.05495	38.8
81.03429	10.0
81.07055	61.2
83.04980	8.1
83.08617	10.7
85.02901	8.9
85.06547	4.8
87.51117	1.4
91.03963	3.2
91.05472	28.0
91.06042	1.5
93.07043	47.4
95.04993	8.0
95.05502	1.8
95.08611	22.5
97.02898	3.6
97.06527	12.1
97.10155	4.2
98.23547	2.0
99.04459	1.6
99.08109	4.5
104.75224	1.3
105.04547	1.7
105.07034	17.4
106.34361	1.5
107.04948	3.2
107.07922	2.4
107.08592	22.3
109.02882	1.4
109.06517	4.7
109.10162	9.9
111.04433	2.1
111.08097	7.3
117.07008	11.5
118.96928	1.6
119.08583	16.6
121.06541	3.7
121.10162	15.0
122.35554	1.2
123.08063	1.9
123.11751	2.9
125.09622	3.0
127.03893	3.0
129.05469	1.8
129.07039	2.7
131.08545	14.7
133.06502	1.4
133.10114	18.8
135.08086	3.3
135.11696	23.2
137.09642	3.0
143.08557	1.8
145.10097	11.8
147.08031	1.2
147.11659	6.5
147.45314	1.8
149.09631	5.4
149.13249	15.8
151.11229	3.4
157.10141	4.7
159.11678	21.5
161.13222	6.0
163.11234	6.4
165.12802	2.1
169.10098	2.2
171.10211	1.5
171.11655	2.7
173.11792	1.7
173.13269	3.7
175.11110	1.4
177.12750	22.1
179.14279	9.7
181.12283	2.4
183.11754	4.1
184.10320	1.4
193.12286	2.2
195.13829	8.3
211.13377	1.4
215.18062	1.4
227.12714	1.6
229.14313	2.3
229.19591	2.5
235.16962	1.8
239.18027	2.9
243.62088	1.5
247.20619	2.4
251.16302	3.6
253.18051	1.6
255.15912	43.8
257.18991	7.7
267.16016	2.4
269.17468	100.0
270.17783	1.9
275.20087	23.0
293.21109	1.9
309.20648	1.8
330.10144	1.4
349.23743	50.5
367.24847	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
55.01868	2.5
55.05517	20.1
55.85200	2.0
57.03444	13.1
61.02940	5.6
65.03941	2.4
66.81191	2.3
67.05506	39.2
69.03419	11.0
69.07067	21.9
69.24081	3.3
69.24483	9.8
71.04990	4.5
72.61005	2.1
74.79542	2.0
79.05490	35.7
81.03414	8.8
81.07047	44.4
83.04995	6.5
83.08640	16.0
85.02898	10.4
85.06555	2.9
91.03960	3.1
91.05479	36.7
91.73372	2.3
93.07046	37.0
95.04971	6.0
95.08603	20.4
95.52480	2.0
97.02897	5.1
97.06503	10.9
97.10174	12.2
98.23439	4.5
105.07024	26.0
107.04946	5.9
107.08589	47.4
109.06489	3.0
109.10146	9.1
111.08077	2.6
117.07025	10.1
119.08572	19.8
121.06507	2.4
121.10123	13.4
123.11707	3.4
125.09618	17.4
127.03931	2.3
129.06981	4.7
131.08554	16.6
133.10147	16.1
135.11685	16.0
137.51401	2.5
143.08601	5.9
145.10121	22.9
147.11690	12.7
149.09636	12.4
149.13266	6.8
153.09048	2.5
157.10078	3.4
159.11671	13.1
161.13252	5.3
163.11183	5.6
171.10236	4.2
171.11649	3.6
173.13362	6.3
177.12727	5.1
185.13252	3.8
186.59430	2.1
187.11287	2.6
189.11229	10.3
197.13371	3.2
217.15895	2.9
227.12764	23.1
235.16864	3.0
239.17902	7.1
245.13806	6.9
255.15909	31.4
257.19009	24.8
269.17447	40.8
275.20056	49.8
276.20627	2.7
293.21286	2.9
309.20639	4.1
349.23734	100.0
350.23962	2.5
362.93246	2.4
367.24805	30.3
421.09470	2.4
507.41162	2.7
511.29099	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06748	1.8
52.72494	2.0
53.03944	3.0
55.01856	3.9
55.05514	23.2
57.03432	8.7
59.62038	2.0
61.02930	3.7
65.03929	2.1
67.05502	31.4
69.03429	7.2
69.07078	16.0
71.04989	4.4
73.02923	2.6
76.84496	1.8
79.05486	32.1
81.03419	4.4
81.07065	32.7
83.04977	5.1
83.08616	13.4
85.02915	7.2
85.06557	4.0
91.04935	3.3
91.05482	30.7
91.72631	1.8
93.07048	28.7
94.28078	2.0
95.04987	5.5
95.08601	19.5
97.02901	3.9
97.06532	8.7
97.10174	16.8
105.04516	2.6
105.07024	25.6
107.04980	5.6
107.08585	41.8
109.06552	4.3
109.10156	11.8
110.81278	1.8
111.08121	2.6
117.06988	12.5
119.08572	21.5
121.10160	12.1
123.08002	2.3
123.11744	4.7
125.09625	14.7
129.07014	2.8
131.08559	13.6
133.10144	17.2
135.08041	3.5
135.11720	14.8
137.09613	2.3
141.25719	1.9
145.10126	20.3
147.11731	13.0
149.09633	10.6
149.13261	8.1
151.40041	2.3
157.10165	2.0
159.08018	2.7
159.11684	13.3
161.13272	4.5
163.11235	4.3
171.10242	3.5
171.11597	4.4
173.13292	6.6
177.12749	6.3
179.14287	3.1
183.11725	2.4
185.13210	4.6
189.11235	10.2
195.13771	4.3
197.13345	2.4
212.92404	2.1
217.15926	3.1
227.12793	18.5
239.17973	5.1
245.13789	11.5
255.15919	26.1
257.19046	19.1
269.17514	28.0
275.20062	41.9
310.49326	1.9
349.19412	4.8
349.23740	100.0
350.24142	3.1
367.24802	29.9
370.13715	2.1
450.19180	2.2
475.27225	2.3
493.27722	2.1
552.88507	2.1
565.26471	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	564.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.4
61.32121	4.1
67.05503	14.1
77.72021	4.0
77.88428	3.7
79.05475	6.5
81.07053	6.7
89.47888	4.1
91.05434	4.2
93.07039	5.7
95.04977	5.7
95.08598	7.5
103.17956	4.3
107.04948	8.0
121.06492	7.7
123.04409	20.5
124.05199	8.1
125.05968	11.2
131.08669	3.7
135.08020	4.0
137.05966	19.9
139.03928	9.5
139.07547	33.1
141.05515	3.9
145.86003	3.5
151.07541	29.6
152.04738	4.8
153.05478	31.9
154.06322	4.0
158.08821	3.6
161.05937	8.3
165.05476	3.9
165.09097	5.7
166.06238	13.0
167.03397	18.2
167.07051	64.4
168.04192	62.5
169.04945	6.6
175.07561	5.8
177.09093	11.5
181.08597	17.2
182.05739	45.2
183.06532	13.9
191.06985	11.8
192.07762	4.0
193.08635	11.1
197.08093	10.9
205.08534	3.8
207.10109	7.3
261.11221	4.7
451.24908	34.5
455.28189	3.9
483.27448	100.0
484.27719	7.1
497.29019	5.3
515.30054	79.4
516.30341	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	564.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.7
65.03989	2.0
67.05499	5.0
69.18866	12.4
79.05505	3.1
81.07040	4.3
91.05486	2.2
93.07033	3.9
95.04959	4.4
95.08604	3.7
104.92857	2.0
105.07024	2.3
107.04945	2.3
110.79948	2.7
123.04427	14.5
125.05982	7.6
137.05963	3.0
139.03902	11.2
139.07501	6.6
141.05440	9.9
151.07541	10.8
152.04732	2.2
153.05443	16.5
154.06216	2.8
155.07036	5.8
161.05992	3.9
163.03896	6.9
163.07495	2.9
163.85612	2.0
166.06233	4.6
167.03369	9.7
167.07043	28.9
168.04196	7.3
168.07814	18.6
169.04970	49.5
169.08669	3.8
176.89424	2.0
177.05452	4.5
177.09108	2.4
181.05043	2.6
181.08595	40.4
182.05739	22.3
183.06519	30.5
184.05661	4.9
184.07318	100.0
193.08530	4.1
196.07326	11.0
197.08051	23.5
198.08878	29.8
199.09659	24.7
207.10133	5.3
211.09662	28.5
233.02620	2.3
317.20874	3.6
321.24326	4.2
331.22714	3.9
349.23752	3.2
408.42059	2.5
451.24338	2.7
455.27438	2.4
473.28830	11.6
483.27530	16.4
497.28714	2.4
515.29999	38.5
516.30371	7.5
529.31464	7.8
532.30487	15.3
547.32623	83.0
548.32605	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	564.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.05518	5.5
55.24046	2.2
57.03443	5.1
57.06816	3.6
57.07077	45.9
67.05501	24.0
69.03442	2.6
69.07056	4.2
71.05009	4.6
71.44951	1.8
73.06556	2.0
77.15490	2.1
79.05491	9.8
80.57018	1.9
81.03432	15.6
81.07054	11.6
83.04968	4.4
83.08628	5.1
87.04471	14.6
89.06031	100.0
91.05486	25.2
93.07048	17.2
95.04964	7.9
95.08620	7.5
103.05480	3.2
105.07034	13.9
107.04930	4.2
107.08617	8.8
109.06517	4.4
109.10152	12.8
117.06985	4.7
119.04932	6.1
119.08578	13.6
119.47971	2.2
121.06508	53.0
121.10143	5.1
123.08043	3.0
123.40232	2.9
125.09648	2.6
129.07011	4.2
131.07045	9.0
131.08560	4.5
133.08607	71.1
133.10182	6.1
135.08047	4.2
135.11708	3.4
137.09596	4.5
145.10150	3.5
147.08049	18.9
147.11699	2.6
148.19801	2.2
149.09628	5.1
149.13283	2.4
151.11201	3.3
159.11690	4.1
161.10741	4.7
163.11215	3.3
165.09123	9.5
167.10640	5.0
175.09711	5.0
175.11104	4.2
177.11221	33.6
177.12778	29.9
191.10709	3.4
193.12251	3.1
203.14336	4.1
209.11618	2.7
211.13249	3.4
221.15434	44.3
247.16895	5.0
253.14323	2.7
255.15785	2.6
265.18063	19.1
267.15967	7.7
271.95206	2.2
275.20062	3.4
279.15918	2.6
285.17401	2.6
293.21149	4.3
367.24887	10.3
370.96140	2.5
421.25967	14.7
429.26358	3.5
447.27390	44.3
459.29523	3.4
479.29636	5.1
547.27045	2.7
547.34814	26.9
564.37128	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	564.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
57.07079	5.2
58.66883	0.5
59.05011	0.9
65.03955	0.6
67.05512	5.4
69.03441	0.8
69.07065	3.5
69.52090	2.2
69.87643	0.6
77.00227	0.5
77.03931	0.7
79.05493	6.6
81.07053	10.8
81.07494	0.8
83.04993	1.6
83.08630	1.7
85.06537	1.3
91.05475	10.2
93.07043	24.3
95.05005	2.7
95.08604	12.9
97.06540	0.6
97.10191	2.2
105.07029	12.7
107.08591	23.9
109.06534	1.6
109.10150	9.8
115.05448	1.0
116.06241	0.7
117.07019	4.8
119.04961	0.8
119.06108	0.6
119.08577	20.6
121.06512	1.9
121.10140	16.2
123.04360	0.7
123.08088	2.3
123.11707	2.2
128.06226	2.3
129.07008	4.5
131.08563	10.4
133.06506	1.8
133.10120	8.1
135.08070	1.0
135.11693	29.6
137.09622	7.8
139.07402	0.8
139.11194	0.8
141.06976	3.3
142.07799	2.8
143.08560	12.5
144.09401	0.6
145.10124	10.4
147.08087	1.9
147.11700	5.2
149.09657	2.2
149.13216	0.9
151.07597	0.7
152.06203	0.7
153.05478	0.9
153.06993	2.2
154.07759	1.0
155.08533	5.4
156.09341	2.3
157.06572	0.5
157.10139	15.3
158.10870	1.0
158.42209	0.5
159.08112	1.2
159.11688	7.3
161.09647	1.5
161.13266	3.3
163.11105	3.4
165.07025	4.1
165.09062	0.7
166.07758	5.1
167.07159	1.2
167.08546	11.7
167.10684	0.7
168.07950	0.6
168.09351	2.2
169.10092	7.6
170.10881	1.7
171.08090	1.0
171.11693	10.8
172.12408	0.5
173.09621	1.1
173.13260	9.7
175.11206	4.8
175.14803	1.4
177.12762	1.4
179.08580	4.4
179.10695	1.0
180.09337	3.6
180.10715	0.5
181.10110	31.3
182.10818	1.7
183.11684	9.9
185.09682	2.0
185.13257	11.6
187.11211	1.8
187.14819	4.0
189.12753	3.9
191.14194	0.7
193.10172	2.5
194.10963	5.5
195.11696	20.2
195.13513	1.2
196.12361	1.1
197.13255	5.3
199.11211	2.2
199.14803	11.5
201.12706	3.4
203.14354	2.3
207.11714	1.4
208.12469	2.9
209.13243	22.0
210.13997	1.6
211.14818	3.5
213.12798	1.7
213.16318	3.7
215.14337	0.7
221.13293	1.9
222.14017	2.2
223.14822	19.9
224.15402	1.1
225.16393	8.6
227.14314	7.9
227.17842	1.2
232.07944	0.6
235.14935	0.7
236.15450	0.9
237.16374	9.6
239.17909	3.2
241.15910	2.9
241.19495	2.3
243.17424	0.6
245.15573	0.7
250.17213	1.4
255.17464	1.9
255.21077	10.6
257.19058	0.9
265.19510	70.4
266.19913	1.9
267.17319	0.9
283.20554	100.0
284.20932	3.1
301.18124	0.8
301.21603	16.9
325.21603	21.0
343.22714	8.7
384.57178	0.5
385.23651	1.1
403.24863	3.1
487.33972	0.7
564.31097	0.7
564.38660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04623	2.2
55.05517	2.4
55.16747	2.2
69.07065	2.4
79.05482	3.1
81.07065	2.6
83.08601	2.7
95.04965	4.5
109.06532	3.4
111.04370	2.4
121.06480	2.5
123.04433	10.2
124.05117	2.2
125.02299	2.8
125.05979	3.6
137.05995	11.6
138.06795	2.9
139.07530	8.7
140.04675	23.8
151.07536	24.4
152.04660	40.8
153.05443	20.0
153.09065	3.5
154.06241	4.9
155.07066	11.1
163.07570	5.9
165.09135	6.1
166.06264	10.7
167.03397	3.8
167.07030	73.5
168.07840	15.8
169.04956	22.7
169.08578	7.1
177.09103	4.9
180.07771	3.0
181.05002	10.8
181.08583	54.3
182.05721	8.8
183.06499	16.7
184.07304	82.7
191.10658	5.4
193.08636	4.8
195.10248	2.8
196.07294	21.8
197.08070	15.8
198.08830	17.4
199.09651	20.8
207.10229	3.6
211.09618	20.9
212.09972	2.9
253.62936	2.2
267.14285	2.0
274.48120	2.4
301.10703	3.6
333.13254	2.6
347.25574	2.9
349.27499	5.8
451.28323	7.8
473.32581	4.1
483.30991	26.9
497.32114	2.3
515.33679	28.5
516.34534	9.4
532.33667	5.7
547.36292	100.0
548.36658	4.3
565.30981	6.8
592.27197	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	564.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38532	1.5
67.05479	1.9
69.19051	8.8
69.19442	3.5
74.95701	1.6
79.05516	2.2
81.07053	2.9
93.07049	4.7
98.23519	3.2
105.06992	2.0
107.08569	2.6
119.08611	2.7
121.10158	4.3
135.11699	7.5
137.05992	2.1
143.08601	2.2
145.10054	1.8
148.31230	1.8
151.07483	5.0
153.08237	2.1
161.13176	2.4
167.07011	2.0
171.11807	2.1
181.10175	5.2
185.13249	2.3
195.11743	4.3
197.19710	1.9
199.14844	3.4
209.13292	3.7
223.14876	6.0
227.14345	2.3
250.92018	1.7
255.21257	3.3
265.19443	14.5
283.20584	25.5
301.21820	1.9
325.21640	4.1
343.22803	3.5
383.12360	2.1
461.20123	2.3
479.21497	1.8
484.11472	2.1
564.30585	3.5
564.38934	100.0
565.30273	4.2
565.39374	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	565.134
Annotation	Theaflavin
Peak:m/z	Relative Intensity
51.70552	0.2
53.03928	0.4
55.01854	1.2
55.05508	0.3
57.03423	0.8
60.01591	0.3
60.74145	0.2
61.02914	0.9
65.03941	1.2
67.05495	1.5
68.99780	1.5
69.03422	2.9
69.07067	0.6
69.19295	1.1
69.19702	0.5
71.04977	0.5
73.02884	0.4
79.05471	0.5
81.03405	1.2
81.07039	0.4
83.04980	1.2
85.02901	9.3
85.06534	0.7
85.46358	0.2
86.03247	0.8
87.04456	0.5
87.32907	0.2
91.03942	0.4
91.05463	0.7
93.03409	1.2
93.07043	0.5
95.04963	0.7
95.08589	0.5
97.02888	3.3
99.04472	0.5
103.05474	0.3
105.07024	0.8
107.04901	0.3
109.02889	0.7
109.10176	0.6
111.00748	0.2
111.04446	5.1
115.03901	0.5
115.05428	0.3
117.06993	0.3
119.08523	0.5
121.02873	0.4
121.06535	1.5
123.04421	1.8
127.03912	3.1
129.07014	0.5
131.08578	0.6
133.04996	0.4
133.10176	0.4
135.08020	0.5
137.05945	1.7
139.03891	100.0
140.04242	1.0
143.08542	0.5
145.04945	2.7
145.06503	0.4
145.10143	0.3
146.05347	0.3
146.07196	0.3
147.08035	0.3
147.11664	0.4
149.06001	0.3
150.61082	0.3
151.03889	4.5
151.07524	2.5
152.07845	0.6
153.05479	0.3
157.06462	0.6
158.07286	1.1
159.08064	1.8
159.11670	0.3
160.08420	0.4
161.05965	1.5
163.03896	3.7
163.06026	0.7
163.07542	0.7
165.05515	0.6
165.07080	0.2
165.09140	0.4
167.03334	0.4
169.06483	0.9
171.04611	0.2
173.05940	0.6
173.09593	0.8
174.10396	2.7
175.03859	0.3
175.07542	2.2
175.10764	1.0
176.08287	2.7
177.05389	0.5
177.09085	1.7
178.09473	0.6
179.03355	0.3
181.04935	0.6
181.06476	0.6
183.04300	0.3
185.05988	1.0
187.07597	0.7
188.08293	0.3
189.05490	0.7
189.09045	0.7
190.09860	3.1
191.10306	1.0
197.06027	1.5
197.07509	0.2
199.03897	0.7
199.14868	0.4
201.05472	0.8
203.07034	0.8
205.04893	0.8
205.12228	30.1
206.12566	10.0
207.04437	0.3
209.05934	0.7
211.04124	0.3
213.05421	1.9
215.06984	0.8
216.04128	0.3
217.04959	1.4
217.15860	0.3
218.16040	0.3
219.06543	0.2
223.13275	9.1
224.13606	3.5
225.05449	1.0
225.47212	0.3
227.07030	1.0
229.04941	1.3
229.12236	0.8
230.12532	0.4
231.06421	1.6
235.16885	0.5
237.05473	1.0
241.04933	0.8
243.06459	2.3
245.04361	1.0
247.06052	0.3
247.13234	0.5
248.13673	0.3
253.04999	0.6
253.18040	0.5
255.06482	1.9
255.76532	0.3
259.05969	3.9
265.04620	0.3
269.04391	0.4
271.05966	3.6
277.07001	1.5
283.06042	1.3
289.07019	1.5
295.06122	0.4
297.07605	0.3
317.10388	0.4
337.07132	0.3
363.08786	0.5
367.08173	0.5
379.07895	1.3
391.07886	1.2
397.09335	0.4
403.08093	0.6
409.09122	2.1
421.08972	0.9
425.08142	0.3
427.10208	9.4
513.32202	0.3
564.25793	11.3
564.34631	0.5
565.13141	16.6
565.25867	6.0
566.13580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46225	1.1
53.17507	1.2
55.05504	3.2
57.03428	1.6
58.09733	1.2
66.20724	1.0
67.05511	9.2
69.03419	1.2
69.07056	5.4
69.66743	4.8
79.05496	4.4
81.03420	3.6
81.07065	9.4
83.04967	1.1
83.08610	2.8
85.02909	4.2
91.05453	6.5
93.07050	5.1
95.04965	2.4
95.08628	5.9
97.06498	1.2
97.10180	1.9
103.08352	1.3
105.07018	5.7
107.04942	1.8
107.08614	3.0
109.10146	5.2
117.06982	1.9
119.08575	2.7
121.10153	3.5
123.11747	2.0
125.09631	1.3
129.06984	1.8
131.08568	2.5
133.10121	2.1
135.11685	1.9
137.09607	1.5
145.10114	2.6
147.11679	2.0
149.13318	1.5
157.10103	1.3
159.11664	2.2
200.20242	1.4
208.05582	1.1
217.15981	1.3
218.09877	1.4
245.07872	2.6
245.48441	1.1
257.07803	1.5
257.19083	1.6
258.19394	1.4
269.17462	3.1
275.19998	2.7
276.20413	2.1
285.12680	1.5
299.99643	1.4
301.14194	2.0
311.89899	1.5
317.13629	9.3
345.13116	2.2
349.23785	5.2
350.24255	2.8
367.24670	2.3
396.99213	1.5
479.18854	15.3
521.19873	41.2
521.27661	2.3
522.19849	1.4
529.28033	1.4
547.29083	2.0
565.18805	100.0
565.26556	8.1
566.19592	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	565.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96385	0.6
67.73514	0.6
74.02442	0.5
80.32039	0.5
91.05468	1.5
115.05459	1.1
117.05784	1.0
117.07011	1.6
118.06546	20.4
130.06528	1.6
132.08104	4.8
142.06523	1.6
143.07306	2.2
144.04410	0.7
144.08080	12.7
146.06010	62.8
147.06339	2.2
159.09181	5.5
160.07585	1.2
163.03918	3.8
170.06018	4.2
178.11627	0.5
188.07072	100.0
189.07397	4.6
190.07704	0.9
205.09734	42.6
206.10123	1.9
207.06554	1.1
207.10242	0.6
225.07613	1.9
359.83746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37508	0.5
67.05504	1.7
69.07061	1.3
71.04935	0.6
79.05492	1.6
81.03406	0.6
81.07053	2.0
83.08619	0.8
85.02919	0.7
91.05490	1.0
93.07056	1.0
95.04958	0.5
95.08596	0.8
97.02885	0.5
97.10167	1.0
102.51743	0.6
104.69861	0.5
105.07027	0.8
107.08590	1.8
109.10130	1.0
119.08631	0.9
125.09615	0.6
145.10080	1.0
149.84473	0.5
185.04262	1.3
201.03763	1.5
253.18062	0.7
259.07983	1.5
275.07471	0.7
275.20010	0.9
276.20264	1.0
278.91003	0.6
331.10117	2.6
331.13766	0.6
333.85110	0.6
349.23758	2.2
350.24020	3.4
368.24930	0.7
387.16141	1.1
403.20822	3.4
537.26624	1.5
553.84375	0.6
565.26141	100.0
566.26422	3.0
577.47559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43473	0.3
81.07054	0.4
84.01910	0.3
85.02936	0.3
93.07020	0.2
95.01055	0.2
95.08631	0.2
96.01876	0.2
105.13084	0.2
111.24411	0.2
118.82757	0.2
119.08541	0.3
178.04945	0.3
185.04193	0.6
201.03787	0.4
203.05257	1.3
206.12375	0.3
259.07892	1.9
329.17258	1.4
331.09927	1.4
340.35608	0.3
368.24814	0.3
373.14676	0.7
375.21844	0.3
387.16284	2.0
401.17746	0.5
403.20844	3.1
445.20352	0.7
509.06439	0.3
522.49170	0.3
537.26764	1.1
560.47430	0.3
565.26154	100.0
566.26465	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	566.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
57.91331	0.7
69.35754	2.1
69.36137	1.8
71.44898	0.8
75.37718	0.7
76.42243	0.7
82.98697	0.7
83.08600	1.1
85.02899	2.5
91.05493	1.0
93.07051	0.7
95.01328	2.5
100.11263	2.5
109.76591	0.7
136.88814	0.8
137.06018	1.2
141.01895	3.9
142.05069	0.7
145.06351	0.9
147.04463	1.0
147.08084	2.1
149.02324	1.4
151.03886	2.5
151.07570	1.4
163.07523	4.4
166.06195	1.0
175.07585	2.9
176.08260	1.1
177.09109	1.5
179.10692	8.2
181.04938	10.3
181.08614	2.0
182.05688	1.4
182.15410	1.4
182.72752	0.7
183.06595	1.9
189.09120	3.9
190.09885	15.8
191.07060	6.7
191.10678	1.9
194.09338	0.9
194.42915	0.8
195.06532	1.2
196.07315	33.4
198.08850	6.8
203.07050	0.9
205.08649	1.1
206.09383	20.6
207.06596	1.0
207.10167	10.2
207.13783	1.0
209.16460	1.1
210.08882	4.4
210.15071	1.0
211.09663	20.0
221.11728	60.7
222.12466	4.3
225.11169	3.7
237.11214	6.2
248.10480	0.9
253.14352	2.0
266.11676	1.0
266.92853	0.7
281.13837	100.0
282.14017	2.1
313.34100	0.7
355.17526	29.9
373.18546	2.1
397.11572	0.8
452.66592	0.8
531.20593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01872	0.8
55.05508	2.1
57.03430	1.9
61.02913	1.2
63.08183	0.6
65.02631	0.6
65.03938	2.3
65.35492	0.5
67.05503	1.6
69.03428	6.5
69.38533	1.2
69.38941	1.9
73.02898	1.0
76.53645	0.6
79.05508	0.8
81.03419	2.8
81.07069	1.2
85.02905	13.9
87.00841	3.3
87.04467	1.1
91.05479	17.3
93.07040	5.7
95.04971	1.4
95.08596	2.0
97.02891	6.7
99.04459	1.8
105.01868	4.5
105.07029	1.8
106.04167	0.8
107.08595	1.4
109.02187	0.5
109.02889	2.5
109.06519	5.1
109.10164	1.4
115.03918	2.4
119.06081	2.8
119.08579	1.6
121.06504	52.4
121.10141	1.0
122.06843	1.0
123.04427	100.0
124.04759	1.3
127.03902	7.3
131.08588	1.2
133.04944	2.0
133.06482	0.7
133.10161	0.9
137.05991	3.3
145.04945	3.8
145.10126	1.6
147.04410	7.7
151.03864	1.2
151.07492	1.7
159.11682	1.3
161.05991	1.8
161.13290	0.7
163.06056	0.8
163.07449	0.7
165.05447	3.5
175.07561	0.6
177.05460	0.6
189.05466	4.3
201.16357	4.1
207.10529	1.2
207.13802	50.5
208.14189	1.3
213.05684	0.8
219.17448	5.3
225.11450	1.0
225.14851	21.4
231.05051	2.2
231.13818	6.1
237.18530	3.8
249.05807	0.8
249.14850	2.2
267.15860	1.4
273.14786	4.8
291.15823	2.5
315.15912	1.9
333.16937	2.3
351.17679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01873	0.6
55.05508	1.9
57.03432	1.0
60.51594	0.3
61.02920	0.9
67.05503	1.1
69.03431	2.3
69.07050	0.4
71.04945	0.4
73.02913	0.4
81.03439	0.8
81.07066	0.6
85.02402	0.6
85.02904	9.5
87.04464	0.8
91.05457	0.5
93.07037	0.5
95.04984	1.1
97.02892	2.8
97.10170	0.5
102.19924	0.3
103.03922	0.4
105.07027	0.8
107.08611	0.6
109.02877	0.9
109.06528	0.4
115.03928	0.5
119.04796	0.3
119.08546	0.4
123.04429	100.0
124.04749	0.7
127.03928	1.5
127.07841	0.3
131.08510	0.4
133.04956	0.4
133.06523	0.4
137.05974	3.4
145.04974	2.3
145.10141	0.9
147.04410	6.8
147.11745	0.4
151.07497	0.6
159.11725	0.5
161.05995	1.3
163.05995	1.0
163.07393	0.7
165.05478	4.7
171.04454	0.4
175.07668	0.3
189.05453	3.7
201.16373	1.1
207.13803	64.5
208.14174	1.6
213.05386	0.4
219.13823	1.7
219.17462	1.1
225.11328	0.3
225.14854	7.0
231.13803	6.1
237.18460	1.1
243.13754	0.8
245.15257	0.6
249.07530	0.6
249.14888	3.9
267.15884	1.6
273.14819	4.1
291.15823	1.2
297.14923	0.9
299.58865	0.3
303.16040	0.4
315.15829	1.5
333.16876	2.4
351.17920	0.9
369.19009	0.9
387.20084	0.6
450.68088	0.4
547.13116	0.4
571.44977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42327	0.4
51.13215	0.4
55.05508	3.0
57.03433	0.7
61.02933	0.7
67.05521	1.1
68.99749	0.5
69.03429	2.1
69.07067	0.8
69.79376	0.5
73.02917	0.6
76.95514	0.5
78.34719	0.5
79.05486	0.9
81.03435	0.8
81.07046	0.5
83.04897	0.7
85.02902	9.4
91.05474	1.1
93.07044	1.1
95.04958	1.1
95.08651	0.6
97.02350	0.6
97.02886	2.8
97.06503	0.9
97.10149	0.8
100.11263	1.4
105.07011	0.9
107.04932	1.1
107.08583	0.6
109.02856	1.0
119.36063	0.6
120.69153	0.5
121.06441	0.8
123.04428	100.0
124.04726	1.0
125.05988	4.0
127.03918	2.2
131.08540	0.6
137.05992	3.1
145.04926	2.6
145.10164	0.9
147.04407	2.5
149.05988	0.7
151.07541	25.6
161.05998	1.2
165.05466	0.7
175.03917	0.5
175.07605	1.2
178.90082	0.5
189.05479	1.6
189.09097	0.7
189.16368	0.5
196.77728	0.5
201.16356	0.7
207.13797	79.7
208.14159	1.7
210.14839	0.7
213.47382	0.6
217.08621	1.1
225.14844	24.2
231.13826	3.4
235.13406	0.8
249.07414	0.6
249.14833	2.1
273.14792	1.8
277.10559	0.5
283.11731	1.1
291.15875	1.2
315.15924	0.7
333.16904	2.9
351.17908	1.3
387.20013	0.6
389.37225	0.5
469.08099	0.6
526.40613	0.6
548.31354	0.5
566.42944	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	566.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01874	2.1
55.05492	4.3
57.03435	8.4
59.04985	1.9
60.64061	1.4
61.02921	2.6
65.03912	1.6
67.05508	8.7
69.03425	25.5
69.07073	2.2
69.25662	8.2
71.04984	2.8
73.02929	1.5
79.05492	7.9
81.03423	3.0
81.07052	22.4
83.04978	2.1
83.08602	1.7
83.83063	1.4
85.02901	32.5
87.04465	12.0
91.05473	12.1
93.07038	18.7
95.04991	2.1
95.08602	20.6
97.02887	24.9
99.04446	1.4
105.06348	2.5
105.07023	29.6
107.08588	23.8
109.02882	2.4
109.06534	3.0
109.10132	11.1
111.08066	2.7
112.60155	1.3
115.03919	16.8
117.07006	5.3
119.05017	1.3
119.08574	18.1
121.06503	7.8
121.10135	8.2
123.04423	100.0
123.08024	2.1
126.36435	1.6
127.03886	5.6
129.06996	2.2
131.07655	2.4
131.08562	27.4
133.04941	12.2
133.10120	11.1
135.11678	10.1
137.05963	8.9
139.03859	2.3
143.08597	2.8
145.04984	7.4
145.06006	1.6
145.10117	41.4
147.04366	3.0
147.08083	1.9
147.11664	9.4
149.13263	5.0
151.03908	10.4
151.07561	3.9
157.10153	1.8
159.11685	22.8
161.05914	2.3
161.13263	15.7
163.06110	1.6
163.07495	2.6
163.11166	2.1
165.05423	1.7
165.55624	1.5
173.13225	11.1
174.06810	1.9
175.14772	3.1
189.05415	1.6
189.09068	3.5
189.16475	2.5
191.17908	2.9
201.16373	95.6
202.16760	1.5
203.17908	6.9
207.10223	25.1
207.13791	70.8
208.14178	1.9
219.17426	85.3
221.19153	1.9
225.11194	10.7
225.14819	3.8
231.13815	1.8
237.18474	26.3
249.14795	2.6
273.14709	1.5
315.16013	1.6
315.19513	3.9
333.20361	3.5
351.21643	2.1
381.22208	1.7
399.23541	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	566.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.0
55.05502	2.5
57.07065	2.7
67.05511	2.6
69.03419	1.6
69.07057	4.1
69.73535	1.0
69.73847	3.2
71.08615	1.1
79.05482	3.8
81.07056	5.1
83.01334	9.0
83.08595	1.5
85.10229	1.2
91.05459	4.1
93.07039	4.7
95.04939	2.7
95.08616	3.7
97.06503	1.6
97.10186	1.3
98.23166	3.9
105.07020	2.6
107.04968	2.6
107.08579	2.7
109.06559	2.1
109.10193	1.7
111.00825	2.3
111.04428	4.6
113.02350	1.6
117.01848	1.5
117.06969	1.5
119.08570	1.9
121.06516	4.0
121.10150	2.3
123.04406	4.8
123.08054	3.7
124.05190	1.3
124.72981	1.2
125.02389	1.5
125.05978	3.8
127.03864	1.4
135.04411	1.3
135.08066	2.1
137.05974	15.0
138.06749	12.0
139.00266	13.7
139.03900	15.3
139.07532	4.3
141.01834	2.2
143.08492	1.0
147.08058	2.9
147.11697	1.2
149.05922	1.7
151.03856	1.6
151.07538	57.9
152.04671	1.1
152.08218	1.3
153.05466	9.1
153.09029	1.2
154.06242	77.2
155.03401	1.1
157.01373	1.8
159.08046	1.3
161.09637	2.0
163.07524	2.8
165.06960	1.2
165.09128	2.4
166.06282	7.8
166.99738	10.7
167.03339	1.3
167.07050	13.1
168.04155	1.9
168.07837	9.1
169.04964	2.8
169.08601	29.8
171.02913	3.4
175.07585	1.5
177.09077	4.5
181.01276	1.3
181.04985	7.6
181.08566	13.6
183.06531	2.1
184.07288	2.0
185.00790	2.5
193.08693	1.6
195.06572	3.4
196.07286	8.6
197.08113	1.0
199.02380	19.3
199.09602	1.2
207.10239	1.3
211.09625	8.0
227.03183	1.1
255.08717	1.0
327.33041	1.2
367.21027	3.5
379.21091	4.7
381.22629	3.7
439.24875	1.8
457.25815	1.5
467.24191	1.7
474.26141	1.7
481.22339	1.2
485.25275	3.4
489.28247	4.0
499.27039	2.1
517.27905	27.4
518.28265	2.1
534.28094	1.8
549.30566	100.0
550.30579	4.9
566.30774	2.3
567.31152	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.05510	9.4
57.03431	9.3
57.07079	2.7
57.64110	1.8
58.37848	2.0
61.02911	2.9
67.05507	32.2
69.03421	3.6
69.07066	10.6
71.08630	10.7
79.05489	26.8
81.03416	7.4
81.07056	43.8
83.04971	6.4
83.08618	9.3
85.02912	7.1
85.06532	5.1
91.05466	16.9
92.54888	2.1
93.07052	30.7
95.04986	3.8
95.08610	16.6
97.02859	2.5
97.06515	6.1
99.04448	1.9
99.08096	10.5
103.03231	2.3
103.03874	2.6
105.07025	8.2
107.08607	16.2
109.06565	2.2
109.10175	6.0
111.08069	7.0
117.07022	3.4
119.08578	7.6
121.10165	10.8
123.07988	2.7
123.11692	2.4
127.03920	4.1
131.08574	9.6
133.10112	11.6
135.08055	2.1
135.11716	8.3
145.10173	2.8
147.11760	4.5
149.13264	16.2
151.11205	9.5
157.10124	2.6
159.11674	15.3
161.13254	8.7
163.11237	5.8
173.11838	3.5
174.68250	2.3
177.12746	21.4
179.14249	10.3
195.13809	8.1
227.12740	3.9
229.14323	2.5
259.20581	3.4
265.01755	2.3
269.17484	100.0
270.17841	3.2
277.21686	9.8
283.15204	9.2
285.08667	2.1
351.25259	32.4
369.26230	7.8
413.21390	3.6
489.37372	2.4
549.26385	2.7
566.29089	2.2
567.31866	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40332	7.7
55.05530	9.0
57.03449	8.7
57.34569	7.9
63.98356	8.0
67.05524	36.4
69.07069	10.5
69.15154	53.6
71.08654	11.2
76.17612	7.7
77.33767	7.6
79.05483	15.3
81.07043	41.3
83.04985	11.2
83.08608	7.9
86.00621	7.5
93.07058	30.0
94.22066	7.2
95.08609	16.0
99.08063	15.4
101.61236	6.7
101.88569	7.2
107.08594	20.3
109.10116	8.5
117.07014	10.2
119.84248	7.9
133.10118	13.6
144.31003	8.7
149.13214	14.7
159.11754	18.6
177.12729	25.1
269.17496	100.0
277.21628	9.7
351.25443	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
67.05504	0.6
69.03426	1.2
70.27979	0.9
70.28305	0.7
73.32887	0.6
79.05513	0.7
83.04992	2.2
85.02898	1.3
85.33616	0.5
91.05484	1.3
93.07082	0.9
95.08601	0.7
97.02901	2.5
105.07035	1.6
108.60175	0.5
111.04438	1.7
119.08606	1.0
127.03918	0.9
127.72936	0.5
147.11707	0.7
181.22118	0.5
194.68433	0.5
196.07314	0.8
231.54523	0.6
282.77130	0.7
292.18213	0.6
305.08575	1.0
314.42340	0.6
363.08978	16.9
365.10504	6.7
459.13715	0.7
567.27740	100.0
568.28125	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	567.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05386	0.7
51.30793	0.8
57.65129	0.8
69.60614	2.4
81.07049	0.8
91.05523	0.8
93.05490	0.6
93.07048	1.0
95.08617	1.0
98.23420	0.9
105.07034	0.8
196.07314	0.8
215.75578	0.7
305.08734	1.2
354.81262	1.1
363.09003	10.9
365.10544	10.1
567.27716	100.0
568.27917	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	567.2778
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
66.42965	0.3
67.05486	0.3
70.19536	0.2
75.78395	0.3
81.07056	0.5
83.01070	0.3
93.07027	0.3
95.01090	0.3
96.01827	0.4
139.03615	0.3
139.74271	0.3
148.29129	0.3
151.90796	0.3
173.11546	0.3
185.04219	0.8
189.79916	0.3
197.94194	0.2
201.03700	0.3
203.05284	2.0
251.12633	0.4
259.07849	1.3
283.15118	0.5
307.14948	0.6
331.09967	3.6
331.18701	0.7
345.11575	0.5
373.14633	1.2
387.16211	1.0
387.21304	0.8
405.22498	1.3
413.17657	0.5
427.19168	0.4
442.98285	0.3
455.18805	1.2
467.51874	0.3
469.20389	5.2
470.21274	0.3
497.19461	0.5
498.20407	0.9
539.28296	0.6
549.26691	22.0
550.26825	0.8
567.27606	100.0
568.28119	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03708	0.2
53.40301	0.3
55.57304	0.3
67.05496	0.5
69.16393	0.6
69.16792	1.3
81.03388	0.4
81.07053	0.3
98.22765	0.6
142.34296	0.3
154.82350	0.3
178.24706	0.3
185.04227	1.3
201.03714	0.5
248.51038	0.4
259.07877	0.4
275.07391	0.6
307.15079	0.6
329.05322	0.4
331.10034	4.9
345.11719	0.5
373.14642	0.9
377.81201	0.3
387.16287	0.7
387.21335	1.0
398.10825	0.3
405.22141	1.9
413.17969	0.6
455.18805	1.6
469.20508	5.3
498.20764	1.0
519.14526	0.3
536.58722	0.3
539.27899	0.6
549.26666	18.5
550.26929	0.6
551.10883	0.3
567.27667	100.0
568.28088	4.6
587.15454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68603	0.3
57.03392	0.5
58.21645	0.4
67.05459	0.6
67.13652	0.3
70.76324	0.3
79.05450	0.8
81.03381	0.8
81.07032	0.7
83.01078	0.5
91.05470	0.7
93.06999	0.5
105.07040	0.6
119.08573	0.4
121.10123	0.7
130.19832	0.3
131.08461	0.4
147.11545	0.4
148.25769	0.4
185.04085	0.5
189.98279	0.4
201.03606	0.7
203.05191	1.4
222.66774	0.3
222.89986	0.4
259.07874	1.7
280.68027	0.4
283.15167	3.9
331.09738	1.2
339.17514	1.4
387.15872	0.7
405.22012	1.6
405.26865	0.5
471.02695	0.4
539.27716	0.6
567.27350	100.0
568.27673	6.1
586.20612	0.4
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
56.44863	0.3
70.50412	0.6
80.99613	0.3
81.11329	0.3
91.05520	0.3
93.07063	0.3
94.72409	0.3
95.04956	0.4
95.08605	0.4
108.55247	0.3
119.08642	0.4
121.10191	0.5
131.08638	0.3
150.02129	0.3
157.10172	0.3
175.62283	0.3
178.05002	1.2
179.05330	0.6
185.04181	0.4
203.05267	1.1
205.47922	0.3
254.10034	0.3
259.07724	1.4
269.13812	0.5
331.18921	0.7
337.08252	0.5
338.08557	0.5
355.09412	0.4
356.09494	0.5
366.07895	0.5
381.75348	0.3
383.08615	0.6
384.08649	0.7
401.09818	1.3
402.10184	2.1
405.22452	3.0
431.18930	3.0
539.28009	0.6
567.27740	100.0
568.28156	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	567.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42775	0.4
53.62082	0.4
55.05507	0.5
66.57720	0.5
67.05471	0.4
69.42905	1.5
69.65485	0.4
85.02922	0.4
93.07003	0.6
98.42201	0.4
101.52655	0.5
103.91481	0.4
108.30118	0.4
109.10126	0.5
128.35338	0.4
178.05089	0.7
185.04195	0.7
193.85777	0.5
195.02681	0.5
306.80353	0.4
331.09692	0.8
339.10239	0.5
405.22540	3.0
431.18936	3.1
496.92191	0.4
523.34906	0.6
539.28320	0.8
567.27759	100.0
568.28223	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	567.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
57.03431	0.5
63.25295	0.3
63.97530	0.3
66.72210	0.3
67.05504	0.7
69.35458	0.5
69.35851	0.8
71.04984	0.5
79.05490	0.7
81.03413	0.7
81.07049	1.1
83.04977	0.4
83.08636	0.4
85.02925	0.7
88.32518	0.3
91.05491	0.9
93.07054	0.6
95.04983	0.5
95.08634	0.3
96.01863	0.3
97.06528	0.3
100.82449	0.3
105.07016	0.8
107.04948	0.3
109.10126	0.5
119.08557	0.5
121.10136	0.6
133.10132	0.5
147.11630	0.4
149.09631	0.5
184.03340	0.4
185.04236	0.7
193.12282	0.6
201.03755	0.4
203.05148	1.5
233.11438	0.4
251.12502	0.7
259.07883	1.8
283.15155	6.0
307.04791	0.3
307.15076	0.7
307.64990	0.3
331.09955	1.8
331.18948	0.3
339.17761	2.6
370.26990	0.5
373.14548	0.3
387.16171	0.6
405.22491	2.2
469.20157	0.7
524.36578	0.3
531.43750	0.3
567.27258	100.0
568.27576	4.5
591.27264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
67.05502	2.5
69.07046	0.7
69.31617	1.4
69.32029	0.8
71.04988	2.9
76.25091	0.4
78.95603	0.5
79.05489	1.7
79.05911	0.4
81.07058	3.7
82.07349	0.4
83.04954	0.6
83.08617	0.5
91.05484	2.0
92.80036	0.4
93.07061	2.3
95.08649	0.7
97.06522	1.0
105.07022	1.0
107.08608	1.1
109.10140	0.6
121.10177	0.5
123.11733	0.7
131.08530	0.5
133.10165	1.4
139.03857	0.6
141.01874	1.7
149.13293	0.5
151.11180	1.2
159.11729	0.7
169.04980	0.9
173.04486	3.3
178.85808	0.5
183.13853	0.6
193.22729	0.4
225.84808	0.4
226.32870	0.4
257.17572	0.6
267.15677	7.2
267.18451	0.7
294.71539	0.5
301.20065	0.6
302.37186	0.4
323.18408	5.6
549.27002	2.7
556.30042	0.5
567.35046	100.0
568.35254	5.3
593.96979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19103	1.3
69.46755	3.6
93.41937	1.3
98.23271	4.5
115.91788	1.3
129.50412	1.5
148.86400	1.3
218.80182	1.4
365.52258	1.4
423.25073	34.6
464.28040	1.7
567.36584	100.0
568.36853	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	568.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05511	3.6
57.03429	1.8
61.02920	3.0
64.74838	0.7
69.03413	4.0
69.07052	0.8
69.61366	2.1
69.61709	0.9
73.02917	0.8
81.03406	2.0
83.04960	1.1
85.02412	0.9
85.02914	13.7
86.06057	1.7
87.04478	1.2
91.03956	1.1
91.05476	2.1
93.07051	1.4
95.08601	1.6
97.02908	5.0
98.06045	2.0
99.04449	1.4
101.06050	1.3
105.07031	1.8
107.04945	1.4
107.08582	1.4
109.02883	2.0
111.04436	3.8
117.07008	0.9
119.04949	7.3
119.08601	4.4
121.06510	1.3
121.10108	1.0
123.04403	1.6
127.03928	3.0
131.08559	1.7
133.10150	4.5
135.08073	4.1
139.03902	22.3
141.32108	0.6
143.08594	1.0
145.04926	3.5
145.06537	1.3
145.10100	1.5
147.04413	46.5
147.11699	0.9
149.05960	5.1
153.05455	2.4
158.10956	1.2
162.94568	0.7
163.03941	4.3
163.06157	0.7
163.07536	21.3
165.05489	48.0
173.05997	1.1
173.13217	5.1
175.14850	11.3
180.08643	0.8
181.08652	2.3
189.05440	1.5
191.07045	14.4
191.14354	2.1
209.08093	87.8
209.15372	1.5
210.08481	0.8
213.05412	0.8
227.09146	100.0
228.09537	2.2
233.08089	2.3
251.09120	1.6
269.10172	1.1
275.08929	1.2
293.10208	2.0
317.10172	2.6
335.11310	2.0
353.12436	0.9
362.21799	1.6
388.23438	1.5
390.95096	0.8
404.28629	0.8
550.28467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59666	1.3
55.01884	1.2
55.05502	2.7
57.03428	5.8
57.51955	1.0
59.10020	1.2
62.32410	1.2
69.03423	10.8
69.13607	2.6
69.14014	5.5
72.84981	1.2
75.04485	6.0
79.05484	15.4
81.03413	7.5
81.07059	5.4
83.04995	1.4
85.02915	6.2
91.05474	16.1
93.07045	90.5
95.04961	4.4
95.08591	3.3
97.02903	5.1
99.04421	2.6
103.05464	1.4
105.04520	2.7
105.07049	9.1
107.08590	13.5
109.02879	5.0
111.04427	2.1
111.08071	4.4
118.99618	1.4
119.07793	1.8
119.08575	10.0
121.06517	3.1
121.10147	100.0
123.11671	1.8
125.80444	1.2
127.03919	4.5
131.02486	1.3
131.08559	6.9
133.10217	2.0
137.06007	3.4
139.11195	2.7
145.10162	1.6
149.09612	45.8
151.03967	3.7
163.07523	7.3
167.10681	29.1
205.08632	2.3
219.10126	1.5
223.09673	7.8
247.09715	1.6
275.12787	2.7
293.13852	6.8
311.14856	28.6
313.10757	1.6
329.15991	1.8
371.18091	1.6
568.31500	3.0
569.23987	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	568.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
54.43073	1.8
55.01870	3.7
55.05502	5.5
56.33367	1.7
57.03428	7.4
61.02923	8.4
67.05505	19.2
69.03423	17.2
69.07065	6.3
69.21973	1.8
71.04980	7.0
73.02906	4.3
79.05499	11.5
81.03416	9.4
81.06623	3.2
81.07059	37.2
83.04964	2.1
83.08597	4.5
85.02905	100.0
85.06532	10.8
87.04472	2.9
91.03933	5.0
91.05474	8.6
93.07047	21.7
95.04946	2.8
95.08608	59.9
97.02321	3.3
97.02889	26.8
97.06528	12.8
99.04449	5.6
99.08081	3.8
105.07008	10.4
107.08601	19.7
109.02879	9.1
109.06483	4.4
109.10159	11.1
111.08070	8.1
111.18301	1.9
117.07000	3.7
119.08562	6.0
121.06511	5.5
121.10146	8.4
123.08062	6.0
125.09570	2.1
127.03920	19.6
127.07540	4.7
131.08556	24.1
133.10118	5.1
135.08020	6.1
139.03874	5.3
140.04266	2.6
143.69754	1.7
145.04962	38.1
145.10091	7.0
146.67317	1.8
147.11679	15.2
149.09610	3.8
149.13260	42.8
153.09068	2.3
163.05975	14.5
163.14819	13.7
163.54839	1.7
173.13266	58.0
181.15846	2.2
191.14304	64.2
209.15364	72.6
227.16415	62.9
233.08020	3.1
293.96597	2.0
325.11169	3.7
568.23291	8.1
568.30865	5.4
569.22778	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	568.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.50726	0.7
55.01862	1.5
55.05511	4.3
57.03416	2.3
57.07061	1.3
60.09803	0.7
61.02911	2.9
67.05492	2.4
69.03126	0.9
69.03426	11.5
69.07063	10.1
71.04981	1.6
79.05481	3.6
81.03407	2.1
81.07050	5.9
83.04971	2.5
83.08595	2.8
85.02406	1.5
85.02895	20.7
85.06506	1.3
91.05465	8.4
92.27412	0.7
93.07036	5.1
95.04966	16.4
95.08590	5.3
97.02892	5.2
97.06499	3.1
97.07054	0.7
99.04430	4.6
100.07594	1.2
105.07030	13.3
107.04926	1.3
107.08588	12.0
109.02868	1.4
109.06513	4.5
109.10160	1.7
111.04442	3.4
111.08081	1.8
115.05462	1.0
115.07519	3.6
117.07001	3.0
119.04945	8.4
119.08575	36.7
121.06504	1.8
121.10125	13.7
123.04435	2.0
123.08066	1.7
123.11696	1.1
125.09621	4.9
127.03889	4.6
127.07499	0.8
128.06161	1.0
129.06990	2.7
130.07668	0.9
131.08545	12.7
133.10118	31.7
135.08058	7.0
135.11679	1.7
137.09705	0.8
139.03889	19.9
139.77559	0.7
143.08566	5.7
144.09352	2.0
145.04941	5.6
145.06468	1.0
145.10101	7.4
147.04398	43.1
147.11665	6.9
149.05963	5.6
149.09601	1.6
149.13261	1.3
151.11180	2.0
153.05486	1.7
153.09090	7.1
158.10881	7.9
163.03874	2.6
163.06125	1.4
163.07515	17.9
163.14803	2.9
165.05466	43.0
165.12714	0.9
166.05733	1.3
167.14268	1.3
171.10072	0.7
173.05978	1.3
173.13245	40.1
174.13484	0.8
175.14812	79.1
176.15163	1.6
181.08611	1.9
189.05499	1.3
191.07048	12.2
191.14291	23.1
199.32027	0.8
209.08067	80.7
209.15347	35.2
210.08409	1.6
210.15562	0.9
227.09120	100.0
227.16370	15.3
228.09453	2.2
233.07959	1.7
251.09070	2.1
259.11810	0.9
267.15854	0.8
269.10196	1.0
275.09039	1.0
293.10168	2.3
299.08987	1.1
317.10165	1.9
351.16287	0.8
353.19449	3.3
371.20404	1.4
505.20343	0.8
564.24860	0.8
568.20776	0.9
569.21698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16585	2.8
55.05513	10.8
57.03418	4.6
57.07083	3.2
67.05505	10.2
69.03443	10.9
69.07066	9.7
69.52882	6.1
69.53285	10.1
71.05005	6.6
71.17771	3.2
71.34906	3.2
77.34727	3.3
79.05493	9.4
81.03446	3.7
81.07059	17.7
83.04980	19.7
83.08620	6.2
85.02893	30.1
91.05489	13.5
93.07069	15.9
95.04985	30.5
95.08617	11.9
97.02901	10.2
97.06533	13.2
98.23391	5.7
99.04466	7.1
105.07032	28.4
107.08593	46.9
109.06516	28.6
109.10162	35.2
111.08105	6.0
115.07612	7.0
119.08592	21.6
120.04636	2.9
121.10156	28.7
123.08085	7.2
123.11693	9.9
125.09650	4.6
126.20309	3.0
127.03915	8.2
131.08595	18.1
133.10132	70.3
135.08047	11.9
135.11691	25.4
135.94208	4.0
139.11249	6.2
143.08495	4.8
145.04948	8.4
145.10150	9.5
147.11705	24.7
149.13255	20.5
151.11185	3.5
153.09090	16.9
158.10939	8.8
163.06149	4.2
163.14835	10.4
165.12790	4.4
167.14330	6.4
173.13263	80.9
174.94257	3.2
175.14824	60.9
183.21068	3.1
191.14299	68.8
191.15935	4.8
209.15370	100.0
219.46545	3.3
227.16423	51.4
233.78249	2.9
240.74416	2.9
253.66779	3.0
523.90601	3.2
550.28760	3.8
552.94141	3.4
578.76923	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	4.7
67.05501	6.8
69.03418	2.5
69.07066	5.4
70.37057	2.9
70.71885	4.2
71.08588	2.4
71.10329	3.0
79.05491	7.8
81.07052	5.9
83.01302	3.1
85.06554	2.5
87.01469	2.6
87.04501	3.3
88.07649	3.0
91.05499	6.4
93.07046	4.9
95.04991	3.1
95.08593	6.5
105.07043	6.4
107.08632	3.3
115.07536	3.6
119.08559	3.8
121.06540	3.7
122.62553	2.6
123.04451	9.5
123.08041	3.2
125.05996	9.0
136.05151	3.4
137.05986	10.6
138.06755	5.1
139.07576	11.2
141.05412	6.2
143.03329	3.1
143.07040	14.8
145.10136	2.7
147.08043	2.5
147.11742	4.1
148.43565	2.6
151.03821	3.3
151.07544	21.4
152.04703	5.3
153.05516	12.6
153.09088	3.7
154.06299	3.8
155.07051	6.8
165.09084	2.5
166.06270	11.7
167.03462	4.2
167.07045	21.3
168.07828	31.0
169.04964	47.6
169.08508	4.8
171.02809	3.8
177.09160	7.7
181.05029	5.5
181.08598	86.8
182.05800	13.6
183.06557	28.5
184.07317	100.0
185.07674	5.4
191.10706	5.0
196.07300	9.3
197.08092	18.9
198.08829	19.2
199.09645	42.4
199.11366	3.2
207.13637	2.6
211.09662	11.9
234.13919	2.7
277.83691	2.6
284.29318	3.0
311.29306	3.4
333.52173	2.7
334.42975	2.6
377.98859	2.8
383.25720	5.8
411.25397	8.1
415.28357	5.0
443.27866	31.0
475.30667	24.3
476.31042	3.8
487.27164	3.6
492.30460	3.6
507.32962	12.4
516.19354	3.1
519.29742	8.5
520.30408	10.8
533.31055	10.9
536.29248	4.6
539.26202	4.6
551.32135	66.9
552.32550	5.0
568.29608	4.3
568.56323	13.9
569.30627	16.2
578.10919	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66291	2.0
53.03947	2.7
55.05516	11.0
55.52694	1.6
57.07070	5.6
67.05510	16.4
69.07069	15.0
69.34547	10.5
79.05495	24.0
80.06227	3.6
81.07053	34.1
83.08607	4.8
85.06549	3.7
87.28578	2.5
91.05480	41.7
93.07046	49.3
95.04414	3.7
95.04971	43.7
95.08598	29.7
103.05472	4.7
105.04528	2.7
105.07030	76.7
106.07816	3.8
107.08587	43.6
109.06512	6.0
109.10146	15.2
115.05418	5.8
116.06238	2.4
117.07039	25.9
119.08578	100.0
120.09369	6.6
121.10139	26.1
123.08075	12.8
123.11704	3.6
128.06213	11.7
129.07019	21.2
130.07755	9.7
131.08565	47.0
132.09340	7.3
133.10120	44.5
135.08060	6.0
135.11681	13.9
137.09615	4.1
141.06993	7.5
142.07782	16.0
143.08574	41.6
144.09326	12.3
145.10121	77.6
146.10808	3.2
147.11682	18.8
149.09560	4.9
149.13315	3.4
151.11200	2.2
153.07010	2.7
154.07750	3.8
155.08560	16.5
156.09346	18.8
157.10133	47.9
158.10870	7.5
159.08049	2.7
159.11685	28.1
161.09598	5.6
161.13281	8.4
165.06998	3.8
166.07745	2.7
167.08527	9.9
168.09352	6.7
169.10121	21.3
170.10915	8.4
171.11693	28.3
172.12424	6.0
173.13263	17.1
175.14809	8.7
177.12759	3.5
179.08536	7.2
180.09346	4.2
181.10130	14.8
182.10921	9.0
183.11668	27.8
184.12495	4.8
185.13269	15.4
186.14044	4.3
187.14798	8.4
191.14287	8.2
193.10114	11.6
194.10916	10.4
195.11676	19.1
196.12451	7.5
197.13254	21.0
198.13919	2.2
199.14790	8.1
201.16359	4.5
205.10181	3.5
206.10800	2.3
207.11685	7.7
208.12462	4.9
209.13297	14.9
210.13983	4.0
211.14796	10.6
213.16385	2.9
215.14310	2.4
220.18631	2.4
221.13269	7.1
223.14856	6.9
224.15599	2.4
225.16368	3.3
231.11737	2.6
233.13330	3.0
235.14772	6.6
237.16425	5.6
239.17969	2.7
249.16212	2.7
251.17929	2.5
277.19464	4.0
279.45746	2.0
307.87589	2.0
323.23709	3.3
338.25949	15.3
406.82062	2.3
430.32257	6.9
476.36420	7.6
533.88342	2.2
568.42767	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	569.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39817	0.8
70.60881	1.5
75.42260	0.7
121.02811	1.2
177.39355	1.0
211.09576	1.3
271.04202	1.8
291.08398	6.4
296.17572	0.9
306.10818	4.7
321.13065	100.0
322.13229	2.3
406.93723	0.9
483.17984	3.0
504.88379	0.8
525.19434	35.1
526.19391	1.5
569.17798	56.6
570.18140	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	569.2935
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
52.14913	0.4
69.11853	2.7
79.05476	0.4
81.07066	0.7
85.02896	0.4
100.68835	0.4
157.04791	0.6
185.04233	1.3
203.05211	0.6
215.63091	0.5
228.25513	0.4
259.07922	0.8
276.85635	0.5
288.81476	0.4
321.16824	0.6
331.10098	1.2
407.24149	2.6
471.22073	1.3
481.24060	0.5
483.22009	5.1
499.21738	0.7
551.27985	0.6
569.29352	100.0
570.29785	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	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85903	0.3
55.05502	0.4
57.73546	0.3
60.73124	0.3
66.58636	0.3
69.17216	1.9
96.37122	0.3
97.58099	0.3
98.22595	0.7
109.38430	0.4
158.95761	0.4
184.03389	0.4
185.04254	1.1
201.03842	0.5
203.05290	0.6
205.99167	0.4
223.66109	0.4
259.07898	0.7
303.16129	0.5
321.17010	0.6
331.09882	0.8
352.15625	0.3
369.59219	0.3
407.24167	1.9
457.20554	1.1
471.21939	1.2
483.22336	1.1
487.21075	0.6
499.21472	0.9
569.29303	100.0
570.29633	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	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59819	0.2
69.17032	1.8
73.03425	0.3
74.05683	0.2
83.63233	0.3
109.10168	0.3
128.53520	0.3
185.04256	0.5
203.05247	1.5
242.85036	0.3
252.75897	0.3
259.07889	1.6
272.47186	0.3
309.16779	0.4
329.11978	0.3
331.10071	0.4
333.20645	0.4
407.24146	1.1
457.20395	2.8
471.22110	4.3
487.21582	1.2
569.29309	100.0
570.21686	0.5
570.29694	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	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03599	0.2
55.71935	0.2
59.71373	0.2
64.77650	0.2
67.05482	0.3
69.16968	1.2
79.90018	0.2
79.90527	0.2
79.99895	0.2
81.07077	0.2
91.05530	0.2
93.59595	0.2
94.05205	0.2
98.22710	0.5
112.68252	0.2
119.14289	0.2
129.10115	0.2
183.48454	0.2
185.04233	0.7
222.59569	0.2
259.07993	0.4
275.07135	0.3
295.15131	0.4
309.16663	0.4
328.21384	0.2
331.10059	0.9
407.23975	1.7
457.20367	3.5
458.20810	0.2
471.22000	7.3
472.22424	0.4
475.20273	0.2
479.26129	0.7
487.21463	1.5
551.27985	0.3
569.29297	100.0
570.29681	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	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32937	0.2
55.99575	0.3
60.89716	0.2
69.35187	0.2
70.93676	0.2
72.10230	0.2
81.07104	0.2
134.21864	0.2
181.25909	0.2
185.04228	0.6
203.05217	0.3
229.08151	0.3
259.07916	0.6
266.73792	0.2
275.07397	0.3
275.10397	0.2
295.15253	0.3
331.10049	0.6
407.24042	1.9
457.20520	2.5
471.21985	3.8
479.26080	0.3
487.21576	1.1
569.29321	100.0
570.29651	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	569.2938
Annotation	14-hydro-15-hydroxyajugapitin
Peak:m/z	Relative Intensity
55.32074	0.4
67.05498	1.0
71.56879	0.5
74.17356	0.5
81.07042	1.1
91.05481	0.8
93.07029	0.4
98.22700	1.1
107.08592	0.6
109.10144	0.7
130.79568	0.5
137.09538	0.5
145.40817	0.5
150.53281	0.4
153.34102	0.5
164.77104	0.4
179.41885	0.4
203.05191	1.5
207.78160	0.5
259.07779	1.4
283.15118	1.6
317.83252	0.5
333.20529	0.6
339.17783	0.7
389.22507	0.9
406.07877	0.6
407.23862	1.5
441.05103	0.5
455.18567	1.4
469.20621	4.6
475.46579	0.6
541.29346	0.6
551.28223	20.8
552.28387	0.6
569.29071	100.0
570.29504	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	569.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28613	1.1
69.29020	0.7
90.57650	0.3
125.06016	0.3
135.78590	0.3
161.02141	0.3
189.01569	0.5
254.40160	0.3
331.66437	0.3
357.20193	0.5
371.21921	3.0
483.27338	0.5
509.20996	0.4
511.26822	3.2
539.26160	45.8
540.26434	2.9
554.28485	5.3
569.30823	100.0
570.31219	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	569.345
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
55.05502	0.5
57.07070	1.6
67.05511	0.8
69.07072	0.4
69.36695	2.0
78.73281	0.4
79.05518	0.7
81.07086	0.9
82.18172	0.4
83.01105	1.4
83.08601	0.5
89.06043	0.8
91.05484	2.2
93.07040	1.3
93.53160	0.4
95.08607	1.8
98.22855	1.3
98.23476	0.9
105.07034	1.5
107.08639	1.4
109.10168	0.7
119.08575	2.1
121.10173	1.9
128.06274	0.4
129.07011	0.8
131.08582	1.9
133.10162	1.6
135.11710	0.6
141.07005	0.5
142.07780	0.6
143.08582	1.9
145.10135	2.2
147.11682	0.6
151.07587	0.6
153.07082	0.7
155.08588	1.0
157.10129	2.3
159.11700	0.9
161.09590	0.5
165.07056	0.7
166.07782	0.6
167.08569	2.6
169.10143	1.1
170.10887	0.6
171.11620	1.0
173.09775	0.6
173.13379	0.7
179.08591	0.8
180.09268	0.6
181.08592	1.0
181.10112	7.1
183.11711	1.6
184.07324	0.7
185.13306	1.7
187.11247	0.4
194.10970	0.8
195.11705	3.9
197.13329	0.8
199.14822	1.0
205.71651	0.4
207.11664	0.5
208.12587	0.4
209.13234	3.2
211.14796	0.5
213.16516	0.6
222.13966	0.5
223.14775	3.1
224.15317	0.5
227.14420	0.6
237.16501	1.2
239.17986	1.4
255.20970	0.6
265.19586	3.4
283.20633	1.5
284.29337	0.5
311.29434	0.5
365.20840	3.9
425.23007	11.8
449.30234	0.5
509.32321	4.1
539.26276	1.7
569.34528	100.0
570.35004	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	569.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	70.0
56.26757	5.4
57.07065	9.5
67.05495	13.5
69.07071	4.8
69.75929	15.5
76.28668	4.9
79.05489	9.9
81.07053	22.4
81.80002	4.4
83.04980	100.0
91.05479	17.9
93.07030	40.0
95.04994	7.0
95.08585	35.5
97.06603	4.5
98.22778	7.3
98.23353	9.5
105.07040	23.0
107.08598	38.5
109.06561	6.8
109.10167	22.2
117.07021	7.2
119.08604	18.2
120.41047	4.4
121.10146	28.9
123.08120	9.1
123.11726	5.9
129.07051	7.5
131.08542	16.1
133.10115	14.2
135.11693	31.2
137.09604	5.9
141.06938	6.3
143.08559	18.7
144.80829	5.5
145.10114	14.7
149.13251	6.2
151.83698	4.9
155.08575	6.9
156.09302	8.5
157.10112	28.7
159.11661	7.6
163.11191	9.8
167.08586	7.4
168.82117	6.3
169.10136	11.5
171.11650	14.2
172.20107	4.8
173.13222	13.6
179.08572	7.1
181.10143	18.0
183.11736	8.5
185.13278	15.7
189.12856	6.8
195.11652	11.3
199.14813	13.4
203.14264	8.2
208.12450	5.1
209.13289	22.2
213.12593	6.4
213.16341	7.8
223.14832	18.4
225.16478	8.8
227.14255	7.8
241.19521	5.6
255.21080	19.7
257.19022	17.7
265.19534	39.0
283.20529	92.2
301.21594	55.0
365.25241	7.2
401.26682	9.8
454.70920	5.5
568.56824	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
55.05502	1.4
57.03438	8.3
59.05007	0.5
61.02942	1.2
65.03933	1.7
69.03429	1.5
71.01378	0.7
71.04990	47.2
73.02921	1.4
75.04479	3.8
81.03429	1.2
81.07020	0.5
83.04980	5.4
85.02901	71.4
86.09689	0.5
87.04472	1.5
91.05477	100.0
92.05811	0.9
93.07046	0.7
97.02891	3.5
99.04442	1.2
103.03934	1.1
109.02868	0.9
109.10104	0.6
111.04422	3.5
127.03911	3.1
129.05475	32.3
137.02338	2.0
139.03900	0.8
145.04901	2.2
147.05342	0.9
147.06517	17.3
163.06071	0.5
165.07501	0.5
167.03351	0.9
211.09668	0.6
245.08134	4.5
255.08545	1.3
273.09839	0.6
309.11734	0.7
315.13239	0.4
333.78687	0.5
528.41876	0.5
570.24695	0.9
589.63293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25858	0.4
51.91870	0.4
55.01886	0.9
55.05509	1.2
57.03439	7.8
59.05000	0.7
61.02931	0.8
65.03944	1.7
69.03419	1.3
69.14474	1.6
69.14878	1.1
71.01369	0.6
71.04993	52.0
73.02909	2.0
75.04471	3.2
81.03409	0.5
83.04982	5.5
85.02904	70.9
87.04475	1.3
91.05479	100.0
92.05795	0.6
93.07055	2.4
97.02896	4.1
99.04453	0.9
103.03938	1.0
105.07014	0.7
111.04449	3.0
119.08601	0.4
121.10165	2.2
127.03898	2.1
129.05481	34.9
130.05774	0.5
133.06560	0.5
145.04944	1.6
146.08025	0.4
147.06522	18.3
149.02203	0.5
164.09171	2.0
167.03343	0.5
167.10704	0.8
175.07597	0.6
176.34856	0.5
219.10063	0.5
225.07477	0.6
227.07050	0.5
237.07405	0.5
245.08104	4.9
255.08685	1.3
309.11661	1.2
517.57092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06768	0.9
53.03936	1.1
54.11953	1.2
55.05490	1.0
57.03429	3.6
61.02935	5.8
65.03922	1.9
69.03437	13.2
69.05782	0.9
69.11035	7.2
71.04982	1.4
73.02919	3.3
75.37222	0.9
79.05531	1.1
81.03415	4.3
81.07066	3.1
81.64246	1.1
85.02908	72.0
86.09711	1.7
87.04459	1.3
91.03949	4.2
91.05484	100.0
93.07047	2.2
95.04957	1.6
95.08598	2.6
96.80668	1.2
97.02892	19.2
99.04461	3.4
102.11234	1.0
105.07025	2.6
107.04952	17.4
109.02880	5.7
109.10123	1.5
118.97234	1.0
119.08614	1.6
121.10098	1.4
125.00008	3.1
127.03921	18.0
139.03941	1.9
145.04968	34.4
151.03917	1.4
151.14845	2.3
163.06010	12.1
174.62090	1.2
175.14861	2.8
181.04886	1.1
184.07356	8.6
193.15897	4.5
211.17001	1.4
229.08640	3.0
499.34442	1.4
570.25677	4.8
571.26678	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	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86006	0.3
52.08087	0.3
63.28017	0.3
69.03426	0.5
70.68949	0.6
81.07086	0.4
85.02901	0.9
91.05458	1.1
93.07034	0.3
97.02878	0.6
105.07027	0.5
107.04936	0.4
115.05444	0.5
117.07046	0.8
128.06221	1.1
129.07005	6.0
131.04913	0.9
131.07655	0.5
131.08568	5.9
131.72620	0.3
136.05167	0.5
137.05992	3.9
137.35239	0.4
141.06996	3.9
143.04932	0.4
143.08531	0.9
144.05717	0.6
144.70242	0.4
145.06483	0.8
147.04358	0.5
151.03899	0.6
151.07541	3.7
153.37643	0.3
157.06493	5.6
158.07233	2.1
159.08063	6.5
160.05177	1.3
161.05991	0.4
161.09613	0.8
163.07594	0.6
167.03389	0.6
167.07060	1.5
169.06432	2.9
169.07681	0.4
170.07254	1.5
171.08066	0.8
172.05286	0.4
172.08806	0.4
173.06065	0.6
174.06761	13.2
175.07553	4.8
181.04913	0.5
182.15538	0.4
186.06781	2.9
187.07558	3.8
188.08200	0.9
189.09097	23.6
190.09407	0.6
191.10645	2.2
201.05473	0.3
201.09106	9.9
203.10596	0.5
204.07759	0.9
205.04704	0.9
205.08598	0.8
207.06516	0.6
207.10197	0.4
217.08582	1.0
219.10158	100.0
220.10425	2.0
225.09007	0.4
231.10118	1.2
237.11214	1.9
249.11211	14.8
251.12537	0.5
254.44768	0.4
267.12122	0.6
275.98572	0.4
284.10699	0.6
291.10132	0.9
305.11707	0.6
306.12531	0.4
310.11938	0.7
322.11890	0.4
325.14319	1.0
337.14240	2.6
341.19156	0.5
355.15396	4.2
461.11353	0.3
527.16193	0.3
570.19611	2.8
571.27844	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60072	0.3
57.03447	0.6
69.03407	0.5
69.28305	1.6
73.02923	0.8
91.05483	1.0
105.06967	0.4
107.04928	0.6
115.05448	0.7
117.07025	0.6
128.06223	1.2
129.07033	3.4
130.07779	0.3
131.08575	5.0
133.06506	0.6
133.10158	0.6
138.80331	0.3
141.07001	1.7
142.07787	0.5
143.08557	1.1
144.05698	1.8
145.06506	2.0
146.07268	0.7
153.07002	0.4
153.48079	0.3
156.05675	0.3
157.06464	1.9
158.07225	0.7
159.08066	9.6
161.06070	0.4
161.09647	2.4
167.07057	0.5
169.06441	0.5
169.07689	0.5
170.07338	1.6
171.08067	1.8
172.05173	0.6
173.05965	1.1
173.09627	0.6
174.06841	0.7
175.07565	1.0
186.06689	0.5
187.07553	6.1
189.05486	0.5
189.09108	2.8
198.06767	0.7
199.07527	0.8
201.09123	1.0
203.07057	1.2
204.07817	3.6
205.08607	1.1
206.09396	0.5
207.10089	0.5
214.43884	0.3
216.07802	1.6
217.08490	0.4
219.10194	2.4
221.08195	0.3
221.11670	1.9
225.02512	0.3
231.10178	2.7
233.11719	3.3
237.11160	0.9
249.11229	100.0
250.11546	2.6
251.12808	3.9
267.12302	5.9
547.44434	0.4
571.28113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
61.68251	0.2
66.64498	0.2
69.03432	0.5
70.22300	0.6
73.88264	0.2
74.74770	0.2
81.16325	0.3
85.02905	2.2
91.05471	0.7
94.98256	0.2
97.02886	0.5
103.05452	0.2
105.06998	0.3
115.05449	0.3
117.06956	0.4
127.03926	0.4
128.06226	0.5
129.07004	4.6
131.04903	0.7
131.08557	4.3
137.05997	1.2
141.07001	3.6
143.08556	0.5
144.05669	0.4
145.06491	0.5
146.07233	0.4
151.07478	0.3
157.06506	4.1
158.07289	2.1
159.08057	5.3
160.05229	0.4
161.05878	0.4
161.09576	0.6
162.06601	0.4
167.06966	0.4
169.06477	2.6
170.07263	1.2
171.08008	0.4
173.05983	0.5
174.06764	10.4
175.07507	2.4
180.08643	0.8
186.06754	2.7
188.08316	0.6
189.09096	22.5
190.09459	0.5
191.10619	1.7
201.09111	8.2
207.10168	0.7
219.10156	100.0
220.10464	2.4
237.11229	1.5
314.88855	0.3
325.10663	0.3
332.89954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90675	0.2
54.53477	0.2
57.03437	0.3
62.02799	0.2
69.03412	0.5
69.62901	1.0
73.02920	0.3
79.58337	0.2
85.02908	2.8
91.05467	0.6
95.04948	0.2
97.02882	0.8
98.22826	0.4
99.56495	0.2
105.81506	0.2
109.02892	0.3
115.05446	0.5
116.06226	0.3
117.07012	0.5
127.03941	0.2
128.06229	0.6
129.07013	4.7
131.04936	0.8
131.07657	0.4
131.08574	5.5
137.05949	1.3
141.06993	3.6
143.04976	0.3
143.08578	0.4
143.90475	0.3
144.06580	0.3
145.06459	0.6
146.07266	0.3
157.06480	4.5
158.07300	1.9
159.08047	6.0
160.05223	0.7
161.05992	0.3
161.09612	0.7
162.06619	0.4
163.07516	0.5
167.07077	0.4
169.06458	2.0
169.07681	0.4
170.07262	1.1
171.08034	0.3
173.05977	0.5
174.06767	10.5
174.08278	0.5
175.07565	2.3
177.05402	0.3
180.08658	0.7
186.06773	2.7
187.07481	0.3
188.08275	0.5
189.09102	23.0
190.09554	0.4
191.06998	0.4
191.10664	1.8
194.16483	0.2
201.05516	0.3
201.09103	8.7
207.10089	0.7
219.10158	100.0
220.10558	1.9
227.09065	0.3
237.11267	1.8
249.11267	0.3
272.50659	0.3
539.70087	0.3
587.23297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.8
53.03936	3.0
55.05500	3.2
56.45473	1.0
57.03428	6.3
64.16728	1.0
65.03924	1.2
67.05502	2.8
69.03428	10.0
69.17352	6.1
71.04994	1.9
73.02894	1.2
75.04485	7.8
77.03918	1.0
79.05492	17.3
80.05856	1.1
81.03423	9.3
81.07049	4.3
83.04971	2.9
85.02900	6.9
87.04478	1.1
91.05476	16.5
93.07040	100.0
94.07381	1.3
95.04958	5.4
95.08602	4.1
97.02898	5.8
97.06506	1.0
99.04424	1.6
103.03953	1.4
103.56019	0.9
105.04513	2.1
105.07014	9.4
107.08588	15.8
109.02859	4.3
109.06496	1.3
109.10136	1.3
111.04436	1.9
111.08078	7.1
116.06242	1.2
119.08578	15.6
121.06507	1.8
121.10139	98.5
123.08060	1.3
123.11697	2.3
127.03905	4.5
131.08551	4.3
133.10138	1.0
135.08089	1.6
137.05983	6.1
139.03918	1.7
139.11172	3.7
145.10104	1.2
149.09616	19.0
151.07552	3.3
155.08537	4.5
159.08044	3.5
161.05928	1.8
161.09570	1.8
163.07515	12.1
166.06200	1.7
167.10674	31.6
173.09564	1.2
175.07542	2.8
175.11298	1.1
177.09100	6.8
179.10625	3.1
181.08522	1.4
187.07506	3.3
189.09070	2.1
191.10637	5.3
207.10149	25.4
209.11755	3.1
215.10623	1.1
219.10110	14.3
223.09685	2.1
225.11165	8.4
231.10133	6.0
233.11719	1.1
237.11177	16.7
249.11214	5.7
251.12865	1.3
257.11798	1.4
259.13321	1.2
261.11179	1.4
273.11185	1.3
275.12817	2.8
277.14337	3.3
291.12357	3.2
293.13882	5.3
297.11176	3.5
311.14877	14.3
315.12268	9.4
329.15979	3.1
333.13351	2.0
345.20590	2.5
355.18820	2.2
373.19962	4.5
385.20334	1.3
403.20810	1.1
481.22177	2.3
499.23080	2.3
517.24280	2.1
570.24103	18.4
571.26892	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	570.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04382	1.2
53.03947	3.5
55.01869	1.6
55.05503	6.4
57.03432	3.7
61.02918	7.6
62.00174	1.3
65.03928	1.2
65.39335	1.1
67.05502	10.3
67.33973	1.2
69.03432	16.5
69.07069	8.6
70.67752	2.0
71.04988	4.2
73.02919	1.5
79.05492	4.0
81.03425	5.9
81.07054	20.9
81.07503	1.8
81.42739	1.1
83.05032	1.3
83.08615	8.0
85.02903	100.0
85.06543	1.9
87.04448	2.5
91.03954	3.9
91.05493	8.3
93.07040	9.6
95.08605	36.6
97.02892	21.6
97.06524	1.9
97.10155	5.9
99.04445	6.2
100.75807	1.2
105.07023	9.5
107.08577	5.9
109.02882	8.8
109.06508	1.5
109.10149	17.8
111.08081	2.1
111.11716	3.6
119.08579	12.2
121.10139	4.0
121.15781	1.4
123.08028	2.1
123.11694	1.5
125.00014	1.2
127.03924	23.5
127.11172	1.3
133.10133	10.2
135.11694	7.0
137.09575	2.2
139.03873	1.4
145.04955	42.2
145.10126	2.2
147.11681	6.2
149.13275	6.9
151.14815	28.5
163.03970	1.4
163.06021	18.6
167.67914	1.1
175.03932	1.6
175.14825	40.4
184.07352	4.4
193.15881	75.1
194.16315	2.1
201.16455	4.5
207.06522	2.6
211.16936	25.5
219.17439	1.4
229.17999	8.7
325.11264	4.7
335.09549	2.0
344.57944	1.2
346.21573	1.5
553.26062	2.4
570.25690	28.3
571.27448	35.0
574.87250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30702	1.1
53.03938	1.9
55.01857	2.6
55.05495	8.5
57.03429	6.0
57.07057	2.3
61.02928	7.7
61.79700	1.0
67.05499	14.5
69.03430	14.7
69.07064	12.3
71.04981	9.8
71.06824	1.5
73.02910	3.0
79.05479	6.3
81.03416	6.8
81.07059	22.4
83.04980	2.0
83.08622	10.7
85.02901	100.0
85.06548	4.8
86.09715	1.2
87.04461	3.0
91.03943	4.0
91.05469	6.9
93.07030	13.0
94.75242	1.3
95.08601	34.5
97.02890	23.9
97.06518	9.2
97.09601	1.4
97.10152	7.6
99.04430	4.3
99.08076	2.6
105.07025	8.6
107.08587	8.9
109.02890	7.9
109.06504	1.6
109.10147	21.9
111.08080	6.5
111.11711	1.7
115.07554	1.5
119.08558	15.9
121.10122	4.6
123.08046	1.7
123.11703	1.5
127.03915	25.7
127.04847	1.6
133.10120	12.0
135.11687	2.5
137.09624	2.3
139.03896	2.4
141.09082	1.4
145.04945	44.6
147.11674	7.6
149.13269	4.0
151.11082	1.4
151.14807	9.9
155.08601	2.5
163.06027	23.0
175.14818	43.0
176.15121	1.6
184.07291	2.7
193.15881	38.2
211.16925	61.0
212.17213	2.1
229.17976	51.9
230.18404	1.7
253.88963	1.3
260.46756	1.2
325.11288	4.5
376.11270	1.4
388.89792	1.4
469.46094	1.3
510.16861	3.0
521.04077	1.3
523.40771	1.3
570.25836	21.7
571.27252	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1634
Annotation	Tenuiphenone B
Peak:m/z	Relative Intensity
56.96557	4.1
70.98960	0.9
87.78238	0.6
93.29950	0.6
96.54409	0.6
98.97578	1.2
116.95102	0.5
118.06539	1.1
121.13795	0.5
144.08136	1.0
146.06015	4.2
174.02290	3.1
185.04283	1.8
188.07053	7.3
192.03328	3.9
205.09691	3.6
206.04948	1.6
215.04907	2.9
217.06526	2.4
217.38792	0.6
233.06006	1.3
235.07504	1.5
243.04431	1.4
245.04239	7.2
246.04982	11.0
247.05789	24.9
261.05457	9.5
279.06439	5.0
303.06680	2.7
324.62476	0.5
345.37643	0.6
408.10342	0.7
409.11050	34.7
410.11588	1.7
451.08160	3.6
469.09219	1.8
481.08670	0.9
571.16382	100.0
572.16803	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	571.2152
Annotation	Gigasol
Peak:m/z	Relative Intensity
57.55241	2.3
62.89905	2.3
70.13065	2.1
70.88779	3.1
85.02905	4.7
90.73685	2.3
98.97528	2.2
146.05241	2.5
175.86314	2.1
213.81023	2.3
234.26732	2.7
256.06601	2.4
286.94785	2.3
523.57611	2.3
570.08807	2.4
571.20935	100.0
572.22058	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	571.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14242	0.2
69.43769	1.0
82.47407	0.2
93.06999	0.3
107.81879	0.2
131.16771	0.2
137.05968	3.7
139.03960	0.4
147.08128	0.3
151.03784	0.3
151.07529	0.5
153.01633	0.3
159.08073	0.3
161.06059	0.4
163.07544	0.5
167.07080	0.9
175.07596	0.9
181.08585	0.3
189.09198	0.5
215.96957	0.2
257.11697	0.4
275.07440	0.3
317.08340	0.3
317.25330	0.3
335.09543	1.7
339.55069	0.3
351.15765	0.3
369.17105	0.3
439.23123	1.6
553.26343	1.9
571.27246	100.0
572.27478	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	571.2723
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
56.51221	0.2
57.27442	0.2
67.05513	0.2
69.12206	0.2
69.81474	0.4
69.81806	0.3
70.03339	0.2
76.77685	0.3
78.55444	0.3
85.02925	0.3
88.50562	0.2
88.93734	0.3
91.66464	0.2
97.02912	0.2
98.22751	0.5
105.07026	0.5
123.08092	0.2
133.06523	0.2
137.05991	0.3
139.03928	0.3
151.07594	0.8
195.11761	0.6
213.12862	0.9
275.07492	0.2
333.07877	6.7
335.09488	3.3
391.17307	0.3
439.23148	1.0
571.27283	100.0
572.27728	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	571.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14242	0.2
69.43769	1.0
82.47407	0.2
93.06999	0.3
107.81879	0.2
131.16771	0.2
137.05968	3.7
139.03960	0.4
147.08128	0.3
151.03784	0.3
151.07529	0.5
153.01633	0.3
159.08073	0.3
161.06059	0.4
163.07544	0.5
167.07080	0.9
175.07596	0.9
181.08585	0.3
189.09198	0.5
215.96957	0.2
257.11697	0.4
275.07440	0.3
317.08340	0.3
317.25330	0.3
335.09543	1.7
339.55069	0.3
351.15765	0.3
369.17105	0.3
439.23123	1.6
553.26343	1.9
571.27246	100.0
572.27478	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	571.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87390	1.5
69.15115	10.1
80.33015	1.7
111.93785	1.8
161.69467	1.7
196.07317	2.4
211.09743	1.9
229.42195	1.7
406.87329	1.6
471.22147	2.9
571.30902	100.0
572.31158	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14735	0.3
69.13828	1.6
69.14233	0.7
83.88748	0.4
87.64193	0.4
90.90754	0.4
93.99489	0.4
98.56011	0.3
107.96687	0.4
109.10224	0.4
134.99318	0.3
203.05281	0.9
259.07956	1.3
295.15128	0.9
331.09976	0.6
409.25616	1.6
457.20609	2.9
471.21890	3.1
487.21609	0.7
571.30890	100.0
572.31146	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	571.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.0
55.01877	1.9
55.05508	66.9
57.07074	4.1
59.86089	2.1
63.71296	1.8
67.05500	14.5
69.07066	8.5
69.07407	1.9
69.25218	9.9
69.25624	3.7
79.05473	13.3
81.07047	26.0
83.04977	92.6
83.08635	3.4
91.05466	18.2
93.07042	41.5
95.04980	6.1
95.08604	25.2
97.06523	2.1
97.67928	1.9
98.22863	6.7
105.07027	25.7
107.08585	33.6
109.10149	22.4
113.09660	6.0
115.05540	1.9
117.07031	4.7
119.08579	22.6
121.06501	3.6
121.10126	34.3
123.08065	10.7
123.11713	6.5
129.07005	6.1
131.08560	12.3
133.10100	10.4
135.11688	28.6
137.09605	5.2
139.11200	3.3
141.06979	5.1
142.07794	5.2
143.08554	19.8
144.09366	1.9
145.06502	2.1
145.10118	17.1
147.08023	3.3
147.11696	6.9
149.09599	2.9
149.13217	3.3
153.06982	3.7
155.08572	8.4
156.09305	5.1
157.10136	20.0
159.11653	10.6
161.13246	6.5
163.11182	9.0
166.07744	2.6
167.08597	9.0
169.10121	8.6
171.06526	2.0
171.08047	5.1
171.11649	14.2
173.13275	9.8
175.11185	6.1
177.12814	6.5
179.08572	7.7
181.10072	22.5
183.11687	8.4
185.09608	4.5
185.13264	14.8
187.14801	3.4
189.12791	6.4
193.12332	2.6
194.11037	4.0
195.11679	13.1
197.13237	4.6
199.11153	2.0
199.14864	10.5
203.14328	4.9
208.12569	2.5
209.13268	17.4
210.14021	2.0
211.14839	4.3
213.12747	5.4
213.16409	7.0
219.98576	2.5
221.13098	2.6
223.14828	15.7
225.16359	8.6
227.14267	11.9
237.16420	9.0
239.18039	5.6
241.15891	4.7
241.19604	4.9
255.17467	3.9
255.21051	17.1
257.18991	14.3
265.19489	46.7
283.20532	100.0
284.20844	3.6
301.21591	65.7
313.06424	2.4
365.24728	6.6
383.25891	5.0
401.26840	10.3
555.34619	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	572.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
57.03409	0.3
69.25615	1.3
73.02920	0.7
78.04707	1.6
79.05068	0.5
79.05490	2.5
81.03413	0.4
81.07019	0.4
83.70945	0.3
85.02913	0.3
89.10509	0.3
89.30267	0.3
90.76337	0.3
91.05472	2.0
95.04961	1.2
103.05458	3.7
105.04513	0.5
105.07027	5.7
106.04148	1.5
107.04951	5.8
109.06522	0.4
115.05447	1.4
117.07031	0.9
119.04941	0.5
121.06512	1.9
122.03635	0.4
123.03554	0.2
123.04430	5.2
123.08094	0.5
124.05216	1.8
125.05994	0.5
127.03910	0.6
129.06966	0.9
131.04926	5.9
131.08553	0.6
132.05699	0.4
133.06494	3.8
134.03603	0.5
135.08049	1.1
137.05978	2.9
141.06970	1.0
143.04910	0.5
143.08533	0.7
144.05780	0.4
145.06465	2.5
147.04385	1.5
147.08060	0.4
149.06018	0.5
151.03888	1.1
151.07539	3.4
152.04689	2.2
153.05437	0.4
157.06418	0.3
158.07289	1.1
159.08040	1.6
161.05991	5.6
163.07536	11.7
165.09099	0.4
167.07030	100.0
168.07394	1.2
169.07620	0.4
171.08029	0.4
172.05257	0.4
173.05965	1.2
173.09587	1.2
175.07521	1.6
177.05602	0.5
177.09157	2.7
179.07005	2.7
181.08563	6.7
187.07523	2.9
189.09097	1.0
192.07843	0.5
193.08595	15.5
197.21419	0.4
201.09103	2.1
205.08585	1.3
207.10236	0.8
217.08592	0.8
218.09383	0.5
219.10092	2.4
221.11790	0.5
221.40819	0.4
231.08041	0.7
233.11798	2.8
235.11281	0.4
237.11168	2.8
247.09665	0.4
248.08456	0.4
249.11259	0.4
251.12805	2.2
263.10596	0.5
265.08005	0.3
280.11148	0.4
291.10092	1.3
295.13333	0.8
308.10248	0.4
323.12808	2.0
355.15378	14.5
387.18008	11.6
388.18121	0.4
405.19064	30.4
406.19080	0.7
423.19974	0.5
508.14124	0.4
572.25189	1.1
573.19476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05503	3.0
57.03430	4.9
67.05510	2.5
69.03419	10.6
70.56872	3.6
75.04468	7.8
79.05498	17.4
79.14338	2.7
81.03405	10.7
81.07047	7.6
85.02917	13.8
91.05466	14.8
93.07041	100.0
95.04984	5.4
95.08579	6.5
97.02915	7.6
99.04472	2.7
105.07024	9.7
107.04961	3.0
107.08585	17.2
109.02863	5.5
109.10139	3.1
111.08070	5.0
114.35635	2.4
117.07030	2.7
119.08576	16.3
121.09266	5.3
121.10140	96.7
127.03912	4.1
131.08562	7.8
139.03900	8.8
139.11147	5.7
147.08156	2.8
149.09621	25.3
161.05975	3.7
161.09671	2.5
167.10709	27.6
171.11731	2.8
175.07611	5.9
199.07594	3.4
203.07007	5.4
209.08041	5.2
217.08652	4.9
221.08072	43.5
227.09103	3.0
233.08093	9.4
235.09709	2.6
239.09064	6.1
245.08032	12.8
251.09148	3.3
251.12941	2.8
261.11234	25.5
261.57803	2.6
263.09195	6.7
283.15692	2.4
285.11215	21.9
287.09174	2.9
293.13693	3.6
305.10196	5.8
307.79031	2.7
311.14825	9.5
317.10126	4.0
327.12021	4.5
329.10452	2.9
329.17242	4.3
353.17346	6.5
357.16818	8.9
371.18558	2.5
375.18002	9.5
381.16965	8.7
394.20383	2.3
396.47586	2.7
483.20224	5.4
501.20572	3.3
519.22247	5.4
555.07916	2.7
572.27936	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.9432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98641	0.4
55.36831	0.2
56.96562	5.5
69.32495	1.4
71.95271	0.4
82.03825	0.2
98.97578	70.2
99.97889	0.3
116.01438	0.2
116.14944	0.3
116.98618	33.1
130.93257	0.3
134.99658	7.9
140.00171	0.4
149.12352	0.2
153.00690	0.6
154.93394	0.3
158.01294	0.4
172.94353	3.6
190.95427	2.9
197.95090	0.3
208.96454	0.7
214.95374	4.0
230.98439	0.2
232.96457	6.8
246.91194	0.8
250.97490	2.3
256.96402	20.7
264.92026	0.4
274.97488	100.0
275.97870	1.2
276.97775	0.3
288.92224	0.8
292.98550	44.9
293.98883	0.7
294.99063	0.3
297.98999	1.4
306.93359	0.6
310.99496	0.4
312.49683	0.2
316.00113	0.7
330.93353	0.6
362.89023	0.6
372.94196	0.3
398.97412	0.5
403.74722	0.2
404.90079	0.9
406.84747	0.3
414.95349	33.8
415.95572	0.6
416.98456	1.1
432.96420	39.1
433.96701	0.9
446.91364	1.2
448.93689	0.3
450.97516	5.3
455.98044	1.6
488.92117	1.8
489.98492	0.4
506.93024	0.4
530.93213	1.9
572.94275	20.9
573.94537	0.5
587.74475	0.3
590.95087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98277	0.3
98.22684	1.3
101.68667	0.4
110.23845	0.3
139.03941	0.7
185.04182	1.6
201.74590	0.3
229.49300	0.5
247.05780	18.3
248.06531	8.0
248.09093	0.5
249.07329	6.0
249.15886	0.9
267.07214	1.3
374.37518	0.3
382.96243	0.4
393.10901	1.2
410.11844	1.5
411.12567	18.4
412.12738	0.6
416.83319	0.4
513.10651	0.3
573.17871	100.0
574.18292	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	573.2311
Annotation	Kadsurarin
Peak:m/z	Relative Intensity
78.56527	0.6
80.38454	0.6
95.08614	0.7
98.97556	0.7
116.98588	0.6
131.62720	0.5
137.06235	0.6
139.03886	2.8
148.07475	0.9
148.45470	0.6
148.97206	0.6
182.97176	0.6
245.07895	4.4
245.11787	0.7
311.14063	1.3
351.14108	2.4
382.12247	0.6
573.22845	100.0
574.22919	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	574.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40804	0.6
55.33594	0.7
70.15716	1.3
70.16025	0.7
76.85110	0.7
100.94551	0.6
119.56375	0.7
128.49023	0.7
140.51170	0.8
177.01637	0.9
185.04221	1.6
192.03934	11.8
193.04732	5.4
242.10013	8.0
313.53177	0.6
319.53836	0.7
324.08105	1.8
325.08722	0.9
355.09982	100.0
356.10349	2.7
392.08331	0.9
466.93335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02895	0.7
100.11267	0.9
103.72596	0.7
105.07029	0.9
106.14478	0.7
119.08609	0.7
133.10136	0.7
139.03917	1.8
153.71967	0.7
181.56036	0.7
233.15536	1.1
342.67560	0.7
356.19608	1.0
357.66394	0.7
460.97284	0.7
532.24109	2.8
568.08295	0.7
574.25214	100.0
575.25494	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	574.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58710	1.1
55.88350	0.9
57.82496	0.9
69.39906	2.4
69.40295	2.9
85.02858	1.2
91.05485	4.2
94.08424	1.1
95.08600	1.3
98.22739	1.4
105.07022	1.1
107.05019	1.4
119.04951	4.7
122.03668	1.3
128.06190	1.0
129.07016	2.8
131.08554	2.1
133.02754	1.0
137.04938	2.0
137.05978	35.5
141.06975	1.4
143.08545	1.0
144.05675	1.5
146.03577	1.1
147.04430	3.5
149.05957	2.1
151.07547	3.9
159.08122	2.3
159.87119	1.1
160.05206	1.1
161.06003	4.5
165.06863	1.1
167.07042	3.3
167.08601	1.2
168.07336	1.9
171.08128	2.1
172.08813	0.9
175.03897	2.4
175.07513	5.5
178.04979	2.5
179.07034	1.2
185.06036	1.6
185.09616	2.6
187.07503	5.3
189.09119	3.4
197.09604	3.1
198.06757	3.7
199.07492	2.9
201.09219	2.4
206.04510	3.3
207.06506	4.0
210.06795	1.2
211.07471	1.4
213.09123	9.3
215.10655	2.0
217.08492	1.3
219.10121	1.7
225.09132	2.8
228.07652	1.5
231.10078	1.6
243.10150	10.3
255.09985	1.6
261.11343	1.7
273.11282	15.7
275.10785	1.3
277.08545	1.1
285.09088	1.1
291.10178	2.1
303.10126	1.8
305.11807	1.0
306.45044	1.1
307.09726	2.3
317.11630	1.8
319.09659	1.2
321.11111	1.7
323.12796	1.1
335.12747	2.9
349.14240	2.4
351.12323	1.4
353.14127	1.2
354.14517	3.3
355.15302	1.1
366.22665	1.0
367.15335	5.0
379.15402	6.5
397.16464	100.0
398.17001	2.2
575.19977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01861	9.8
67.05495	7.1
69.03412	11.4
69.07063	12.3
71.04982	9.2
79.05474	11.0
81.03420	22.8
81.07054	20.7
85.06545	5.3
91.05483	27.0
93.07026	28.6
95.04966	10.5
95.08609	10.5
97.06526	11.1
99.04453	9.8
101.61919	3.9
104.93561	4.0
105.03378	3.7
105.07048	28.2
107.04951	12.0
107.08591	44.0
109.02871	19.1
109.06512	13.6
109.10166	4.0
111.08116	5.0
113.05987	4.7
115.05430	4.6
117.07009	6.8
119.04956	19.1
119.08581	7.2
120.80237	3.6
121.06515	20.1
121.10136	22.0
122.06017	8.0
123.04432	5.1
123.06367	5.0
123.08073	6.6
127.03918	12.3
129.06987	5.6
131.04932	3.8
131.08542	9.7
133.02850	8.7
133.06467	6.9
135.11723	10.6
137.05975	100.0
137.09622	3.7
139.03810	4.6
140.07050	10.7
145.06461	6.3
145.10104	20.0
146.07318	5.5
147.04408	18.4
147.08038	4.8
147.11691	4.5
148.07492	6.5
149.06004	12.8
149.07878	5.3
149.09653	10.8
151.07545	56.9
157.06520	7.3
158.47353	4.4
161.05963	84.6
161.09557	19.1
162.06766	9.0
163.07547	6.9
163.11176	51.3
167.08533	4.9
167.10675	17.6
169.08615	70.0
173.09532	7.5
174.06721	4.7
175.07547	29.0
177.09111	6.2
179.07036	8.4
181.12212	14.2
185.11739	6.5
189.09087	47.6
191.08911	4.7
191.10666	24.8
193.06485	6.4
195.08084	12.8
195.10182	15.0
201.09062	4.1
205.06525	5.5
207.08229	5.0
207.10123	52.6
209.11673	34.3
210.06778	10.1
211.07634	4.5
219.08011	14.9
219.10155	43.9
221.06042	6.9
222.06598	5.3
223.07605	4.8
225.08998	9.2
227.07086	4.4
227.10719	7.9
227.12750	93.8
235.07372	4.6
237.09061	7.5
240.07797	6.0
241.08629	5.5
247.07571	4.0
249.09195	4.6
251.07130	12.8
251.10663	9.8
253.08589	17.7
253.12305	4.7
255.10002	5.9
265.08673	19.0
267.10162	7.4
269.13950	6.1
270.08914	6.0
273.11218	4.5
277.08670	7.9
279.10190	14.1
283.09619	12.9
285.11093	15.9
287.13626	12.2
288.14215	16.4
289.14407	6.9
291.10052	4.4
296.10275	5.9
297.11188	42.1
298.11972	4.8
298.51215	5.5
299.12891	5.5
309.11102	5.1
311.12665	19.8
312.14282	6.1
313.14465	7.0
315.12350	8.6
317.13995	4.5
317.20926	5.2
323.12869	6.2
327.12244	6.0
329.13837	68.0
331.15317	27.7
335.14877	5.7
337.14331	9.9
343.15262	4.2
353.15955	34.8
355.15329	38.1
367.15417	12.4
371.17010	32.3
461.19556	5.6
479.20709	19.7
484.95557	4.5
491.20544	5.6
509.21719	10.0
535.29114	9.4
574.28851	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	574.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00023	0.2
53.03941	0.4
55.05510	4.2
58.87865	0.2
61.02915	0.7
66.70406	0.3
69.03418	1.0
70.32825	0.5
70.81802	0.2
73.02954	0.3
81.03409	0.6
85.02904	5.8
91.03938	0.4
96.41247	0.2
97.02908	1.3
98.23345	0.3
105.07046	0.4
109.02895	0.8
112.43384	0.3
115.05473	0.7
127.03910	1.9
128.06229	0.8
129.07030	1.2
139.03886	0.4
141.06973	4.0
142.07784	3.6
143.08565	4.4
145.04961	2.4
153.06979	4.0
154.07762	2.6
155.08545	100.0
156.08904	2.7
157.10104	1.2
159.08057	0.8
162.69949	0.2
163.05994	1.0
167.08543	2.2
168.09329	0.4
169.10127	9.2
170.10811	0.3
173.09578	0.7
182.10915	4.1
185.13252	0.7
197.13246	84.9
198.13585	2.3
215.14311	5.0
233.15349	0.8
322.81461	0.3
359.18542	0.4
574.19452	0.6
574.28870	0.5
574.39130	1.1
575.17548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.68185	0.3
57.03421	0.7
57.15154	0.3
59.04993	0.3
61.02908	0.8
63.57331	0.3
63.85935	0.3
69.03427	2.8
71.04996	0.5
73.02913	0.5
74.43771	0.3
81.03403	1.0
81.07038	0.7
85.02900	13.3
87.04492	0.3
91.03963	0.4
91.05468	0.8
95.08591	1.1
95.72977	0.3
97.02892	3.6
99.04429	0.5
101.02328	0.3
105.07030	1.2
109.02858	1.3
115.05440	0.4
117.07021	0.5
119.08566	1.2
119.09319	0.3
123.08083	0.8
127.03902	2.9
129.06985	1.3
131.08565	3.5
135.08078	0.3
137.05960	1.2
139.03864	1.0
139.95107	0.3
141.06940	1.5
142.07762	2.1
143.08531	3.5
145.04955	5.9
145.06166	0.5
145.10120	2.1
147.08022	0.4
151.07565	1.0
155.08528	4.9
156.09358	2.7
157.10126	5.2
158.10904	1.1
159.08041	1.1
159.11627	0.6
161.05942	0.4
163.06027	1.3
167.07072	0.4
167.08516	0.7
168.09328	0.6
169.10091	3.3
170.74980	0.3
171.11676	3.7
172.12613	0.7
173.09612	1.8
173.13231	1.9
182.10875	1.8
187.11162	1.6
197.13255	7.1
199.14781	0.5
215.14296	100.0
216.14653	2.4
217.15811	0.6
233.15355	1.0
257.15448	0.3
282.14639	0.3
285.94562	0.3
294.90210	0.4
325.11212	0.5
341.17380	0.7
377.19757	0.4
397.16397	1.4
451.19604	0.4
574.26990	3.5
574.42505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
57.03435	1.5
57.07076	38.1
60.90081	0.7
61.02864	0.6
65.98604	0.6
67.03605	0.7
67.05506	9.3
69.07075	5.7
69.30669	0.7
69.72898	1.4
69.73257	1.4
70.30907	0.6
71.08629	22.7
75.04478	2.0
81.07059	11.1
83.08623	7.2
85.02885	1.3
85.10184	13.2
85.38104	0.7
85.78181	0.7
87.04468	100.0
89.06042	2.9
91.05485	1.8
93.07046	2.3
95.05000	0.8
95.08607	17.5
97.10183	4.8
98.23343	0.9
99.04465	0.8
109.02898	2.2
109.10149	9.1
110.03672	2.0
111.04446	0.7
111.11696	1.0
114.87342	0.7
119.04885	0.8
119.08605	1.0
121.06495	4.8
121.10118	0.9
123.11709	3.8
127.03931	1.1
131.07034	1.8
133.08621	1.2
137.13260	1.8
142.25334	0.6
143.42885	0.7
147.08044	2.3
149.09644	0.8
149.19135	0.6
165.09122	2.0
172.17973	0.7
191.00090	1.2
209.11766	1.1
219.12245	2.0
231.16437	0.7
233.19020	2.8
239.23686	17.8
240.24139	0.8
256.26385	5.1
257.24811	2.9
277.21561	4.3
313.27365	54.6
314.27676	2.0
321.24255	1.2
331.28455	12.6
445.24478	0.8
465.25342	0.7
539.29205	1.4
574.39661	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	574.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84410	3.0
55.05505	8.5
57.03442	5.3
57.07075	34.6
67.05502	40.2
69.07067	12.7
71.04993	18.0
71.08635	23.0
71.11211	3.4
71.11548	3.0
78.63934	2.5
79.05500	8.1
79.12127	3.4
80.15341	2.8
81.07055	68.2
82.07402	2.9
83.08616	9.8
85.06538	8.2
85.10191	9.1
85.79888	2.9
87.04471	5.4
91.05487	12.0
93.07043	11.1
95.08601	18.2
97.10159	3.0
99.39767	2.7
103.44118	2.8
105.07028	5.4
107.08591	4.9
109.10151	6.7
123.11722	13.7
133.10144	11.2
149.69391	2.6
151.11194	6.9
181.79834	3.1
183.13873	3.7
186.44316	3.0
187.13237	3.2
226.91820	3.0
269.17435	4.6
301.20096	19.7
313.27408	31.9
481.38837	100.0
482.39450	4.8
507.41168	4.0
539.43054	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	575.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	19.5
65.74023	1.0
69.29326	3.8
69.29736	1.7
84.06628	1.0
84.96026	11.2
98.97582	100.0
110.97575	8.2
112.99146	2.0
115.20242	1.2
116.98624	35.7
124.99120	20.9
128.98622	7.6
131.00243	1.7
134.99646	7.3
139.03912	3.3
140.00206	1.5
143.00159	44.6
144.98102	2.2
146.99689	3.5
151.03831	1.2
152.98578	2.2
155.00188	4.0
158.99654	54.6
161.01221	26.9
170.99614	6.3
173.01274	3.3
177.00708	44.5
177.02272	2.3
179.02335	3.7
182.99692	5.0
185.01227	35.7
189.00739	3.4
195.01738	2.0
197.01210	1.4
200.02208	1.6
201.00735	17.3
203.02257	24.3
209.01273	2.3
212.02449	1.0
219.01768	58.3
225.00734	3.2
227.02281	3.2
235.01469	1.1
237.02831	25.8
243.01727	8.9
245.03337	26.4
255.03978	1.7
261.02786	1.4
271.06042	3.9
294.53540	1.1
319.03198	1.3
345.04950	14.4
363.05960	54.2
372.14691	1.6
381.07010	14.1
390.15561	1.5
423.07144	1.3
515.10736	78.3
516.10974	2.6
575.11218	2.5
575.20203	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	575.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07065	0.5
70.56944	0.5
91.05462	1.4
114.35877	0.5
137.49623	0.4
156.94260	0.4
159.70276	0.4
169.04788	0.6
176.00810	9.2
185.04172	0.8
211.45232	0.5
247.09485	0.5
331.10028	4.2
340.39111	0.5
351.13919	0.7
429.11487	0.9
467.11765	3.4
484.11813	1.5
531.10376	0.5
531.18335	8.4
575.16602	100.0
575.24658	56.6
576.16766	4.2
576.25006	1.3
602.19226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04999	0.7
79.04237	0.4
80.55499	0.4
81.07076	0.9
83.08607	0.4
85.02926	0.7
91.05481	1.9
93.07077	0.7
95.08609	0.5
98.97596	0.9
101.59519	0.4
105.07040	0.4
107.08592	0.5
109.10135	0.5
111.04462	0.4
119.08583	0.5
130.10176	0.4
135.08168	0.4
137.06013	1.1
139.03967	0.7
171.93845	0.4
176.00810	9.0
176.02209	0.6
179.02382	0.4
185.04308	0.4
193.06909	0.4
219.01884	0.5
330.37381	0.4
331.10025	4.1
429.11716	1.8
467.11508	2.9
484.12119	1.4
531.18365	8.6
532.18738	0.6
575.17169	100.0
576.17371	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00796	0.4
60.06923	0.4
63.31181	0.5
69.03436	0.6
69.80066	1.6
72.17548	0.4
81.03441	0.5
85.02936	0.8
91.05515	0.6
97.02901	0.8
114.96877	0.4
115.55316	0.4
139.03902	2.2
185.04280	0.5
203.05344	1.6
205.04785	0.5
210.15018	0.5
228.03384	0.5
245.06395	0.9
251.06836	0.7
259.07831	1.1
267.29529	0.5
300.21506	0.4
347.09509	11.8
531.19244	0.4
575.17346	100.0
575.25494	3.5
576.17755	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	575.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45177	0.4
69.23830	2.1
80.01679	0.4
89.09180	0.3
98.22599	0.6
120.47575	0.4
121.18981	0.3
130.01566	0.3
147.31264	0.4
173.99641	0.3
203.10808	0.4
328.78336	0.4
550.57318	0.4
575.20966	100.0
576.21320	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	575.21
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77354	0.2
70.42736	0.4
118.96303	0.3
122.52505	0.3
137.06000	0.4
159.59341	0.3
173.70435	0.3
358.50281	0.3
397.12747	0.3
443.16730	0.6
575.21002	100.0
576.21320	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	575.2468
Annotation	Kadsuphilol J
Peak:m/z	Relative Intensity
70.05225	0.5
70.05560	1.1
78.43873	0.4
101.95705	0.4
128.86809	0.5
139.03909	0.7
144.19707	0.4
153.01842	0.5
177.16208	0.4
196.07471	0.4
256.98422	0.5
346.42465	0.5
351.14377	1.4
557.24030	1.2
575.24951	100.0
576.17883	0.5
576.25250	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	576.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.05511	36.9
57.07067	3.8
57.61156	0.6
59.28055	0.6
60.88179	0.6
61.60082	0.6
67.05508	3.7
69.07045	2.4
69.26619	3.6
79.05490	4.4
81.07056	6.1
83.04977	68.2
83.08609	2.3
84.05309	0.7
91.04932	0.9
91.05466	7.3
93.07043	13.8
95.04967	0.9
95.08607	8.1
97.10164	1.6
99.08073	1.7
101.05988	0.8
105.04529	1.1
105.07023	9.7
107.04945	1.0
107.08575	13.5
109.06490	0.7
109.10137	5.7
117.06998	2.9
119.08572	11.7
121.10139	10.2
123.08070	1.6
123.11699	1.2
128.06204	1.2
129.06963	3.7
130.07681	0.8
131.08563	7.6
133.10141	5.4
135.08073	1.0
135.11679	22.0
137.09607	6.1
141.06985	3.0
142.07817	1.6
143.08565	9.5
145.10124	7.8
147.08014	1.6
147.11668	2.0
149.09628	0.9
149.13214	1.1
153.06985	1.4
155.08511	5.1
156.09296	1.5
157.10110	9.6
158.10838	1.0
159.08070	1.0
159.11629	4.6
160.51907	0.8
161.09599	1.3
161.13277	2.8
163.11192	1.9
165.07002	2.9
166.07779	3.0
167.08539	11.1
168.09198	1.1
169.10133	5.3
170.10866	1.2
171.07941	0.8
171.11693	6.8
173.13240	6.1
175.11191	1.8
175.14743	1.2
179.08568	4.0
180.09343	2.4
181.10110	26.7
182.10643	0.9
183.11652	5.2
185.09607	1.2
185.13228	10.9
187.11066	0.8
187.14804	6.3
189.12689	3.1
193.10068	4.5
194.10876	3.8
195.11674	18.9
197.13243	3.3
199.11116	1.0
199.14825	7.4
201.12743	2.6
203.14293	2.0
207.11646	1.9
208.12427	2.2
209.13261	16.2
210.13954	1.6
211.14804	2.2
213.12704	2.2
213.16365	2.0
221.13260	1.5
221.41603	0.7
222.13986	1.5
223.14796	18.2
224.15462	1.5
225.16412	5.6
227.14297	8.9
235.14690	0.7
237.16324	7.0
239.17949	4.8
241.15848	2.9
241.19521	1.7
242.16350	0.7
255.17348	1.2
255.18213	1.0
255.21071	11.2
265.19492	53.9
266.19785	2.9
283.20541	100.0
284.20883	2.9
301.21503	3.6
325.21494	1.8
343.22607	1.9
365.24780	10.1
383.25818	10.5
399.29114	1.1
401.26907	0.8
443.27881	2.7
456.22375	1.0
499.33994	2.9
576.38928	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	576.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36759	7.8
59.86636	8.0
64.29668	8.1
64.40981	7.6
69.38958	27.1
69.39362	16.2
95.08601	9.3
96.94832	8.4
105.06533	8.0
121.06512	10.9
123.04435	23.9
123.88308	8.6
137.05968	13.4
139.03899	16.6
139.07559	29.6
141.05461	10.2
142.97539	8.9
151.07558	17.4
152.08327	16.5
153.05501	46.7
153.09134	13.1
155.98152	7.6
164.27943	8.7
165.09172	21.5
166.06273	33.3
167.03351	18.3
167.06972	49.3
168.04181	100.0
168.07819	72.1
169.04953	37.6
181.08623	33.3
182.05806	17.5
182.09412	21.0
182.81998	9.2
183.06567	31.2
183.10179	44.1
193.08623	18.8
195.08679	8.1
195.10127	43.2
197.11749	15.7
211.09631	9.1
241.20236	10.4
251.10582	9.8
321.24298	10.5
332.69168	9.9
481.00052	10.2
499.30640	42.8
513.32343	19.9
531.33215	88.5
576.33411	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	576.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	84.3
69.58470	11.0
69.58855	13.3
87.04471	14.9
89.06032	100.0
91.05471	6.6
93.07050	11.1
97.08239	4.9
103.05515	4.7
104.10763	21.2
109.47070	4.7
111.73933	5.2
118.07796	7.2
119.05038	6.0
119.08621	6.5
121.06518	42.4
133.08612	55.6
147.08063	14.4
149.09648	4.8
149.60019	4.3
151.07558	6.2
165.09137	13.2
177.11179	31.2
191.10597	6.5
209.11885	5.8
221.13853	8.2
233.19025	19.6
235.13347	6.8
255.15965	5.9
277.21722	34.2
321.24289	12.9
390.07214	5.6
447.25983	31.9
515.15784	5.9
518.31854	9.1
559.38275	44.8
576.28210	7.9
576.41449	11.1
583.39276	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	576.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	10.0
67.05495	1.4
68.74316	0.6
69.07057	0.7
73.06548	0.9
79.05491	1.2
81.07068	2.2
83.15156	0.6
87.03969	0.9
87.04470	11.9
89.06031	100.0
91.05488	2.7
93.07053	1.5
98.98458	1.3
104.10734	0.8
105.07018	0.9
107.07078	1.3
107.08627	0.7
109.10165	0.6
119.08564	1.5
121.06487	3.3
130.08667	2.0
131.07028	6.0
131.08534	0.7
133.08603	77.0
134.08871	0.8
135.08070	0.8
135.11664	1.0
147.08041	2.2
149.09647	2.6
155.01007	0.9
163.11159	0.8
165.09181	0.7
175.09697	3.1
177.11220	34.8
209.11757	0.8
221.13808	7.6
233.19009	3.0
235.13377	0.8
253.14381	4.1
259.20709	1.7
261.22009	1.3
265.16476	1.8
277.21622	1.0
283.17572	1.5
297.16779	3.1
299.18759	1.4
303.22980	0.8
321.24057	0.6
335.25824	1.3
341.19635	1.9
359.20715	1.1
365.26654	3.8
385.22375	1.1
405.65479	0.6
453.32031	0.9
458.83276	0.7
463.60428	0.7
471.32919	1.4
497.34769	1.3
511.88672	0.7
559.38361	2.6
576.41467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2257
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
71.45580	0.4
76.34596	0.3
85.02917	0.9
97.02897	0.4
105.07032	0.4
106.64422	0.4
107.08657	0.3
119.01987	0.4
139.53148	0.3
159.11681	0.4
167.03427	0.8
167.08148	0.3
189.05301	0.3
199.14851	0.3
217.15910	0.9
218.16217	0.7
222.79926	0.3
224.01630	0.6
225.02666	0.3
243.08336	0.6
249.02527	1.3
252.01068	0.5
267.03476	1.2
285.04620	0.3
294.02252	0.9
295.03040	0.5
309.04633	1.3
327.05704	0.5
368.71484	0.4
475.07184	0.6
535.09271	0.6
577.22540	100.0
578.23010	4.4
601.10040	0.3
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
53.03941	1.4
55.01863	2.4
55.05508	0.9
57.03433	1.8
58.02459	0.2
58.97039	0.2
59.04991	0.3
61.02919	2.2
63.73824	0.2
67.05503	0.7
68.99790	0.7
69.03426	11.8
69.07036	0.4
69.24730	0.3
71.01363	0.5
71.04980	1.7
73.02916	2.2
73.55199	0.2
79.05498	1.4
81.03414	8.4
81.07063	1.0
83.01387	0.3
83.05002	0.5
83.08616	0.3
83.16949	0.3
85.02901	36.2
86.03227	0.5
87.00827	14.8
87.04458	0.4
89.74753	0.2
91.03944	0.8
91.05468	5.4
93.07034	2.2
95.04962	0.6
95.08604	1.9
95.12064	0.3
97.02886	16.1
99.04444	5.1
99.05064	0.3
101.02367	0.5
103.03986	0.5
103.05434	0.5
105.01862	25.5
105.07024	27.8
106.07364	0.4
107.08600	2.5
109.02873	12.5
109.10159	1.2
115.03922	0.6
115.05459	0.8
117.01867	0.9
117.06996	2.3
118.07809	1.6
119.08585	2.6
121.10157	0.8
125.02364	0.9
126.05264	0.2
127.03907	27.4
128.04303	0.4
128.06288	0.2
129.01793	1.2
129.07005	0.9
131.08571	3.8
133.10121	100.0
134.10461	2.0
135.11691	0.6
139.03925	0.4
143.03448	1.3
143.08531	0.6
145.04945	15.0
145.10107	3.9
147.02863	1.3
147.11676	3.9
157.10088	0.3
159.02884	4.7
159.11676	2.7
161.13266	0.9
163.05981	1.2
171.01166	0.3
171.02908	0.6
171.08055	0.5
171.11705	0.4
173.13275	1.0
175.07544	0.3
175.11176	3.1
175.14790	0.3
177.05515	0.5
181.06454	0.4
187.11212	0.7
187.44177	0.3
189.03893	1.5
189.16371	0.6
191.10641	0.3
191.18033	0.3
197.09700	0.2
199.07512	0.4
199.11211	2.0
201.16371	7.3
203.18019	0.4
213.03922	3.4
213.12674	0.4
217.12210	1.1
218.16081	0.3
219.10173	2.0
219.11963	0.3
219.17403	4.3
223.11217	0.9
229.03497	0.7
231.04987	10.7
237.18495	0.8
241.12190	2.2
243.17523	0.3
247.04495	0.4
249.06009	4.4
253.07130	0.9
256.00226	0.2
259.13242	0.7
271.08051	0.4
309.60037	0.3
320.04770	0.3
325.11215	0.6
345.13327	0.3
357.08151	0.6
363.14304	0.8
375.08984	0.5
393.10193	0.7
420.25937	0.3
443.98898	0.3
565.09387	0.3
578.22736	5.2
579.23431	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	578.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44282	1.4
53.03936	3.3
55.05511	6.3
57.07087	3.2
58.72293	1.6
59.05016	2.0
61.02937	2.6
63.35149	1.6
67.05499	13.9
68.70920	1.8
69.03432	8.9
69.07073	18.3
69.67693	5.4
69.68053	2.0
71.05021	3.6
73.02895	1.8
75.83038	1.7
79.05486	13.9
81.03423	5.0
81.07056	27.7
83.08614	3.3
84.50511	1.5
85.02905	35.8
91.05476	26.3
93.07040	22.0
95.04971	2.4
95.08604	29.7
97.02893	9.4
97.10171	2.5
98.23426	3.5
99.04473	2.1
105.07024	37.3
107.08606	25.6
109.02836	2.1
109.06528	3.7
109.10149	16.0
111.08121	1.9
117.07018	18.4
119.08582	27.8
121.10138	18.4
127.03920	7.2
129.07031	3.7
130.07780	2.8
131.08560	20.5
133.10138	17.5
135.11681	20.6
139.03931	3.0
143.08534	4.1
144.09386	2.8
145.04961	9.9
145.10124	61.7
146.10489	2.5
147.11687	47.4
147.12871	2.3
149.09583	2.9
149.13278	15.2
151.03828	1.5
157.10127	4.7
159.11685	28.0
161.13266	6.6
163.05997	4.6
163.11179	6.9
163.14777	1.9
165.12790	2.8
171.11667	3.2
173.13240	8.7
175.14796	4.8
177.12810	1.7
185.13301	1.9
189.16284	2.5
191.17917	14.3
195.11794	1.5
199.14928	2.4
201.16380	100.0
202.16759	3.3
203.17897	3.7
218.16121	1.9
219.17453	47.3
237.18571	2.0
291.98694	1.8
325.36197	2.1
363.21445	1.9
578.23700	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	578.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.01877	4.8
55.05517	6.8
57.03436	4.1
61.02912	6.6
67.05505	20.8
69.03432	16.4
69.07074	4.6
71.04995	3.1
71.44936	2.2
73.02925	2.7
77.15688	1.7
79.05493	19.2
81.03415	6.4
81.07066	29.2
82.60928	2.0
83.04998	3.5
85.02907	87.5
91.03958	3.2
91.05488	30.6
93.07047	38.1
95.04966	4.8
95.08602	40.4
95.25354	1.9
97.02885	27.7
97.06566	2.8
99.04487	2.8
104.45605	1.9
105.07030	55.5
107.08599	37.8
109.02879	6.6
109.10162	16.9
111.08115	3.5
117.07022	19.7
119.08581	38.3
119.20447	2.0
121.10154	17.4
123.11697	4.9
127.03934	22.5
129.06998	2.4
130.07779	2.8
131.08578	37.5
131.09468	3.9
133.10124	22.4
135.11693	14.1
139.03891	4.6
144.09337	2.9
145.04974	32.5
145.10127	66.7
146.10553	2.0
147.11691	13.2
149.13248	3.7
156.85669	1.9
157.10066	2.5
159.11705	42.0
161.13261	18.0
163.06015	7.4
173.13278	19.9
175.14832	3.3
188.45192	1.9
189.16440	5.0
191.17990	5.3
201.14508	5.0
201.16385	100.0
203.17960	6.0
219.17444	58.6
233.71170	1.9
237.14857	2.9
237.18509	10.7
241.09018	3.1
242.81583	2.1
264.70767	2.1
282.25363	2.2
453.13339	2.0
579.27722	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	578.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30935	1.4
51.25574	1.5
53.03974	1.6
55.01848	3.9
55.05501	10.8
55.80603	1.8
57.03431	5.7
57.07071	8.0
59.05001	4.1
61.02921	6.5
64.30934	1.9
67.05508	14.3
68.64383	1.5
69.03432	21.9
69.07072	31.4
69.27222	5.4
69.27634	4.2
71.04974	7.2
71.08618	1.8
71.48891	1.6
73.02909	4.6
79.05489	20.9
81.03415	7.4
81.07053	27.6
83.05003	8.8
83.08613	7.9
85.02905	88.6
85.06549	8.4
91.03949	4.3
91.05470	28.2
93.07041	45.5
95.04974	10.0
95.08607	34.2
97.02895	20.2
97.06519	5.6
97.10169	4.9
99.04463	5.1
99.08059	2.4
103.05450	3.4
105.04480	2.3
105.07024	64.1
106.07344	1.7
107.04955	4.5
107.08595	63.5
109.02877	6.4
109.06499	9.2
109.10161	21.9
111.08081	6.8
113.09607	1.7
115.05431	2.3
117.03764	1.7
117.07024	14.9
119.08576	87.2
121.06504	6.1
121.10140	41.9
123.08047	3.8
123.11726	8.3
125.06027	3.4
125.09611	2.1
127.03912	21.4
129.06958	4.5
130.07788	6.6
131.08569	22.2
133.10126	26.7
135.08043	6.1
135.11694	53.7
137.02333	1.8
137.09595	3.7
139.03893	1.9
143.08542	6.4
144.09372	2.6
145.04958	39.4
145.10124	72.8
147.08044	2.7
147.11696	14.4
149.09619	4.6
149.13272	4.4
150.10388	31.2
151.11203	10.6
157.10097	5.9
159.11691	54.4
161.09637	4.2
161.13254	61.6
163.06021	11.9
163.07269	2.6
163.11188	49.5
171.11633	2.5
173.13239	14.1
175.14821	80.7
175.16360	3.9
176.15182	2.6
177.12712	5.1
177.16362	4.4
185.13205	2.5
187.14755	2.8
189.16374	3.1
191.17944	17.5
199.14780	4.6
201.16383	93.7
202.16760	3.9
203.09138	6.4
203.17863	2.9
213.16466	2.2
217.15906	2.2
219.17430	100.0
220.17819	2.1
237.18463	4.6
241.74820	1.9
325.11166	4.9
363.21582	2.9
474.50107	2.2
518.20178	2.1
578.24615	19.3
579.23755	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	578.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04550	1.2
53.03946	3.7
55.01872	1.8
55.05507	6.1
57.03431	4.0
59.04996	5.4
61.02936	4.7
65.03953	1.8
67.05501	17.7
69.03437	12.1
69.07072	4.7
70.69732	1.6
71.05004	1.8
74.40205	1.6
79.05492	17.1
81.03423	6.3
81.07054	24.9
83.04967	1.9
83.08604	2.4
85.02901	56.1
87.04457	2.3
89.06023	5.9
91.03954	4.0
91.05474	22.7
93.07050	27.4
95.04981	3.2
95.08600	27.4
97.02893	18.1
97.06522	2.2
99.04449	4.3
103.05468	2.3
103.07565	6.5
105.07025	44.0
105.07732	2.2
107.08588	28.4
109.02892	4.1
109.06529	2.8
109.10142	15.0
111.08054	1.6
115.03927	2.1
116.06295	1.6
117.07010	14.8
117.59319	1.3
119.08576	29.7
121.10149	14.6
123.08095	1.6
123.11736	1.5
127.03915	14.5
128.06204	1.8
129.07007	2.6
130.07822	2.7
131.08571	28.6
133.08595	2.5
133.10123	19.9
135.11682	8.9
137.09688	1.7
139.03955	1.4
143.08568	3.0
143.93578	1.4
144.09370	2.2
145.04956	22.8
145.10112	51.0
145.11229	2.9
147.10202	1.9
147.10461	2.0
147.11694	13.6
149.09595	2.5
149.13287	3.4
151.03894	1.6
155.08527	1.6
157.10162	3.6
159.11682	31.6
160.12064	1.3
161.13251	18.1
162.57312	1.4
163.06023	9.0
163.11160	3.9
173.13237	13.4
175.14850	5.9
184.04843	1.5
191.17982	5.6
199.14847	1.5
201.16382	100.0
202.16745	5.0
203.17973	6.7
218.16226	1.6
219.17439	52.8
237.18529	3.4
265.25122	1.3
299.82968	1.3
324.76202	1.4
325.11014	2.5
361.75494	1.4
363.21494	2.3
578.22552	3.8
579.24457	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	578.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01862	1.9
55.05510	3.8
57.03432	5.6
57.07081	2.6
59.04995	1.6
61.02924	5.9
67.05494	8.8
69.03421	18.1
69.07073	4.5
69.53697	4.9
71.04984	3.1
73.02922	3.2
79.05481	7.2
79.10768	1.1
79.41544	1.5
81.03421	9.2
81.07048	14.9
83.04991	2.4
83.08613	3.1
83.91370	1.2
85.02901	100.0
85.06529	1.6
87.00834	2.3
87.04485	1.5
91.03947	4.5
91.05474	13.9
93.07047	18.7
93.92419	1.1
95.04987	3.1
95.08607	20.6
97.02888	26.7
97.03497	2.2
97.06529	2.1
98.22742	2.4
99.04466	6.5
105.01864	3.8
105.07024	36.4
107.08590	24.6
109.02875	8.1
109.06491	2.4
109.10161	17.7
109.53680	1.5
111.08090	1.7
113.09700	2.3
117.07014	11.6
119.08576	26.6
121.06506	2.6
121.10138	13.7
123.08109	2.7
123.11693	4.2
127.03904	31.0
127.04746	2.2
129.07051	2.4
130.07823	3.0
131.08569	19.8
131.09489	2.1
133.10132	29.6
135.11702	7.0
137.09579	2.9
137.13194	1.8
139.03893	1.8
143.08609	2.1
144.09337	1.5
145.04955	54.6
145.10115	59.7
147.11681	7.4
149.09532	1.7
149.13293	5.4
157.10155	3.7
159.11688	29.1
161.13261	16.5
163.06004	27.1
163.07294	2.1
163.11183	5.5
171.11629	1.7
173.13252	10.6
175.14809	5.3
177.16377	2.2
189.16516	1.4
191.06914	1.3
191.14346	3.4
191.17993	2.5
199.14824	1.6
201.16379	82.9
202.16698	1.9
219.10187	8.3
219.17427	57.4
237.18481	41.3
289.09152	1.8
315.05191	6.0
316.05899	1.7
325.11301	5.4
331.08151	13.9
363.21661	2.5
441.05029	1.3
457.28690	1.4
518.20514	1.6
578.22772	16.9
579.23224	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	578.369
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09365	5.9
81.07048	6.2
95.08631	4.9
97.07835	5.2
105.78018	5.9
109.10162	7.8
114.69016	6.3
123.04431	10.9
137.05975	9.6
137.40172	5.2
139.03970	5.8
145.54025	5.1
152.08405	5.5
153.05510	12.0
153.09227	9.5
156.57086	6.3
160.87228	5.7
165.09196	9.0
165.61505	5.0
166.06241	8.3
167.03427	22.9
167.07063	18.5
168.04184	59.1
169.04945	15.0
172.84161	4.9
181.04993	10.4
181.08591	23.3
181.79039	5.8
182.05731	100.0
183.06473	35.9
184.07338	15.5
184.69971	5.4
195.10141	6.6
196.07317	46.2
197.08080	45.5
198.08870	43.2
207.10184	24.8
209.50317	4.9
211.09636	39.6
213.11177	11.2
321.24304	7.7
469.29547	7.1
487.30444	32.9
497.29068	21.7
529.31409	20.8
546.31738	20.7
561.34100	72.0
578.38605	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	578.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01872	1.2
55.05501	6.6
57.03437	5.6
60.82167	1.1
67.05502	26.5
69.03415	1.5
69.07058	3.9
69.73900	3.8
70.54645	1.0
71.04991	11.5
75.76297	1.0
79.05494	13.7
81.03416	24.4
81.07055	35.2
83.04977	3.7
83.08618	8.4
85.06528	3.8
91.05469	14.7
93.07040	13.2
94.87228	1.1
95.04964	12.6
95.08623	6.5
95.09122	1.1
97.06528	3.5
97.10157	3.6
98.23392	1.8
99.02089	1.1
105.07016	9.4
107.04959	8.2
107.08596	6.8
109.06522	5.8
109.10143	4.7
111.08071	3.1
117.07005	5.5
119.08601	6.0
121.06515	6.2
121.10137	4.4
122.51891	0.9
123.08066	2.5
123.11699	5.1
125.09617	2.6
127.21923	1.0
129.07028	5.5
131.08540	8.4
133.06483	1.6
133.10101	8.1
135.08018	2.5
135.11656	1.8
143.08560	1.9
145.06529	2.0
145.10088	2.9
147.08109	1.6
147.11687	3.5
149.09604	2.4
149.13255	2.0
151.11249	2.3
155.08549	1.2
157.10114	3.5
159.11693	1.5
169.10211	1.0
172.33154	1.1
173.13269	1.4
175.11180	3.5
187.13243	1.9
189.11189	1.2
191.14323	1.4
193.12177	6.4
217.15845	1.3
219.13885	2.5
249.14862	1.3
257.17450	1.6
267.15912	14.8
269.17517	1.6
275.16354	1.4
277.60968	1.2
301.20038	5.1
343.22678	5.2
369.24069	2.9
371.25537	1.7
410.56384	1.2
417.26340	4.1
435.21756	2.0
435.27438	22.6
436.27734	1.5
443.27966	9.2
461.28934	100.0
462.29239	4.3
493.31583	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	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30177	9.3
70.30518	6.9
83.08612	6.2
98.22913	14.7
98.23450	8.1
110.39673	6.7
123.04387	12.9
125.06013	10.3
137.05954	9.9
138.06723	8.8
139.03870	11.6
139.07578	10.8
141.10133	6.9
151.07506	33.8
152.29213	7.6
152.32913	8.1
153.05458	24.5
154.06238	82.7
165.09155	9.0
166.06258	47.4
167.06996	56.2
168.07797	43.7
169.04875	16.1
169.08604	31.1
177.09012	6.6
180.07782	7.7
181.04982	22.7
181.08592	93.5
182.05731	21.6
182.09406	12.4
183.06537	15.1
183.10205	21.7
184.07309	100.0
195.10170	25.4
196.07272	50.2
197.08148	18.8
198.08902	22.9
199.09663	22.6
211.09683	26.0
243.71449	7.3
363.28784	14.1
497.32489	17.9
529.35040	29.8
561.37744	82.2
562.38892	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	578.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	6.0
55.05503	17.8
57.69805	6.2
67.05499	50.4
69.07079	14.2
79.05486	37.0
80.01141	5.7
81.07056	38.5
83.08604	12.5
91.05463	16.9
93.07041	70.2
95.04955	11.1
95.08602	53.2
105.07010	9.4
107.04964	7.7
107.08605	37.4
109.10208	11.1
117.07033	14.5
119.08589	14.7
121.06506	11.1
121.10126	26.2
131.08630	6.5
131.61993	5.9
133.10127	12.2
135.11687	58.8
145.10141	32.9
156.75381	7.1
163.11163	62.0
181.12236	8.2
223.17732	6.8
227.12776	93.6
268.01474	6.4
283.15424	81.0
335.25793	100.0
513.39771	7.6
543.36829	56.4
578.38525	10.2
601.39490	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	579.1498
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
51.02391	0.7
55.01863	1.6
65.03950	0.6
68.99770	3.8
69.37928	0.5
70.54723	0.6
70.55061	0.7
79.05486	0.8
80.42843	0.5
81.03415	3.4
96.37211	0.5
96.80879	0.6
99.04465	1.4
99.96661	0.5
107.04958	2.9
109.02864	3.2
111.00809	2.0
111.04410	2.7
119.04951	1.3
121.02878	1.0
123.04427	31.7
127.03915	100.0
128.04218	0.8
131.04919	1.3
135.04414	25.4
137.02344	2.2
137.05966	0.6
139.03899	40.6
140.04260	0.6
141.07022	0.6
143.04884	1.1
147.04388	3.7
149.02327	4.1
149.05978	1.8
151.03906	8.9
155.04877	0.6
159.04401	3.1
161.05968	3.2
163.03900	31.1
165.05496	4.6
167.03406	7.8
169.04950	0.6
169.06462	1.6
171.04359	1.1
173.05984	1.9
174.96941	0.7
175.03891	3.1
175.07494	0.7
177.05438	3.4
179.03403	2.7
181.06520	0.7
183.04515	0.7
185.06009	1.4
187.03894	5.8
189.05505	1.4
191.03381	8.7
193.04982	2.6
197.05962	2.9
201.05457	6.1
202.69179	0.5
203.03357	6.8
203.07048	2.0
205.04982	2.5
207.06555	1.1
211.07544	0.6
213.05470	1.1
215.03471	0.8
215.06972	3.2
217.04936	1.2
225.05513	1.3
229.04942	6.3
231.06578	1.5
233.04466	5.4
234.74828	0.6
241.04893	1.3
243.06561	5.3
245.04376	5.3
247.06015	13.2
251.05519	1.1
253.05031	1.5
255.06564	1.1
257.04425	7.8
259.06039	6.8
269.04456	1.8
271.05997	16.8
273.07635	1.1
275.02704	0.4
275.05453	13.7
283.06042	5.8
287.05496	17.2
289.07065	13.1
291.08630	13.6
299.05505	3.5
301.07062	9.9
303.08688	2.2
390.36508	0.6
391.08112	0.7
409.09152	20.9
411.10797	2.5
421.09030	1.0
427.10187	4.9
439.10510	0.9
567.85132	0.7
579.20569	0.9
602.10992	0.7
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	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.01872	1.4
65.03944	1.6
68.99789	6.6
70.40620	0.8
79.21477	0.9
81.03427	2.5
85.02910	2.1
93.03391	1.2
95.04980	2.5
99.04436	0.9
107.04954	6.3
109.02866	3.2
111.00826	2.4
111.04446	3.6
119.04958	3.1
121.02879	1.9
123.04435	40.9
127.03915	100.0
131.04965	2.5
134.10370	0.9
135.04428	33.4
137.02333	2.6
139.03906	54.9
139.46030	1.1
141.06937	1.0
145.06490	1.5
147.04405	8.5
149.02371	4.0
149.06000	2.0
151.03909	7.8
153.01857	1.3
159.04430	4.1
161.06018	2.8
163.03906	35.9
165.05464	6.8
167.03394	5.9
169.06535	2.4
171.01152	1.0
173.06013	2.4
175.03880	1.8
177.05482	3.7
179.03394	3.8
179.07040	1.0
183.04538	1.1
185.06007	1.2
187.03941	5.5
189.05408	1.4
189.45700	0.9
191.03387	8.4
193.04999	2.9
197.05983	2.9
201.05423	4.6
203.03407	8.0
203.07014	2.1
205.04959	3.6
208.92542	1.0
213.05551	1.1
215.03499	1.2
215.07042	2.8
225.05356	1.5
229.05026	6.4
231.06575	3.5
233.04367	4.9
241.60023	1.3
243.06453	5.0
245.04501	6.1
247.06013	10.5
251.05740	1.7
253.04945	1.6
255.06526	1.6
257.04510	9.2
259.06107	5.2
269.04401	1.5
271.05997	16.2
273.07727	2.0
275.05490	10.9
283.06088	5.4
287.05502	14.0
289.07111	16.2
291.08649	23.6
299.05490	2.5
301.07059	8.3
303.08548	1.3
407.07663	4.0
409.09180	13.9
411.10388	1.1
421.09543	1.2
425.08606	1.9
427.10101	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	579.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79554	0.9
53.03949	1.1
55.01873	1.7
55.61819	1.1
56.38551	0.9
62.69870	1.1
65.03948	1.4
68.99799	5.4
77.56349	1.0
78.33985	0.9
81.03405	3.3
85.02902	3.3
93.03383	1.2
93.07047	1.3
103.05471	1.5
105.07015	1.4
107.04961	5.0
109.02890	3.7
111.00808	1.9
111.04449	3.8
119.04964	3.0
119.08575	1.5
121.02882	3.1
123.04439	45.5
124.04798	1.1
127.03918	100.0
128.04263	1.4
131.04944	3.6
135.04417	27.7
137.02342	2.4
137.51442	1.0
139.03903	50.7
147.04408	8.0
149.02336	3.2
149.05981	1.3
151.03905	9.3
153.01854	1.3
159.04465	4.0
161.05966	4.9
163.03902	40.4
165.01877	1.2
165.05507	5.9
167.03386	9.3
169.06482	1.5
173.06036	3.8
173.21710	1.1
175.03865	5.8
177.05478	4.2
179.03474	3.5
185.06104	1.2
187.03886	6.3
189.01776	1.3
189.05502	2.1
191.03386	11.9
193.05023	3.7
195.02881	1.3
197.05992	3.6
201.05470	8.2
203.03383	11.4
203.07108	2.2
205.04942	6.0
207.02927	3.1
207.06503	1.6
213.05426	2.3
215.03433	2.8
215.07115	2.8
217.04991	2.4
219.02914	5.0
225.05554	1.8
229.04948	9.6
231.02844	3.9
231.06526	1.7
233.04518	7.0
241.05086	2.2
243.02856	2.6
243.06598	5.4
243.78351	1.1
245.04532	7.9
247.05991	17.6
251.05464	1.3
253.04964	2.4
255.06512	2.5
257.04456	11.0
259.06018	11.2
261.03885	6.1
269.04483	4.5
271.05966	18.0
273.04004	2.4
273.07581	2.6
275.05515	16.2
283.06018	7.0
285.03909	3.9
287.05533	22.9
289.07068	13.2
291.08594	16.3
297.04062	1.3
297.07712	1.7
299.05389	5.4
301.07104	16.2
303.05234	1.9
303.08539	1.6
327.04901	3.0
327.08389	1.4
339.08722	1.6
363.07202	2.4
381.09799	2.5
393.09000	1.9
405.08661	3.3
409.09213	24.1
411.10785	6.2
421.09143	1.9
423.09464	3.5
427.10306	9.3
429.11932	2.6
441.10446	2.3
459.13062	2.2
465.11435	1.1
483.12317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37535	0.9
53.03930	1.3
55.01865	1.8
57.03430	4.2
57.07061	1.0
61.02925	5.8
67.05506	3.8
69.03426	10.9
69.79189	1.8
69.79567	2.0
71.04993	2.7
73.02927	2.1
76.42017	0.8
79.05472	5.0
80.52326	1.0
80.76070	0.9
81.03415	4.3
81.07055	11.6
83.08591	1.0
85.02900	68.5
87.04471	1.1
91.03963	2.6
91.05468	4.2
93.07041	16.1
95.08598	12.4
97.02891	15.1
99.04448	3.6
105.07024	22.0
105.07736	1.4
107.04962	1.3
107.08582	16.9
109.02872	7.2
109.10137	6.4
115.03938	1.2
116.18998	0.9
117.07013	3.5
119.08573	11.0
121.10146	7.5
123.04453	5.0
123.11730	1.1
127.03905	18.1
130.07738	1.0
131.08557	19.8
132.08821	0.8
133.10107	8.1
134.15086	0.9
135.11679	3.6
137.05989	2.6
139.03902	3.8
143.08539	1.3
145.04942	26.2
145.10117	29.2
147.11691	3.1
149.13284	1.7
157.10217	1.3
159.11691	16.0
159.45392	0.8
161.05972	5.1
161.13254	4.5
162.80309	0.9
163.06007	14.4
163.07344	1.9
163.11174	1.7
173.13263	7.1
175.07550	1.3
175.14783	2.1
177.05464	4.5
177.12834	1.0
181.04929	1.0
189.16319	5.1
189.52324	1.0
193.93188	0.9
199.14844	1.4
201.16370	89.6
202.16733	4.0
203.07124	1.8
203.10672	3.5
203.17935	2.2
219.17429	100.0
220.17773	3.7
221.08148	1.9
221.11824	1.1
228.66307	0.9
237.18475	53.5
238.18839	2.1
239.09145	3.0
239.12793	4.5
245.04520	0.9
245.15405	1.1
259.17072	1.4
265.06970	1.4
305.17270	1.3
325.11285	2.0
345.20706	1.3
363.21606	1.7
381.22733	4.9
399.23917	6.5
526.56842	0.9
579.24768	3.9
580.25970	1.4
594.33392	1.3
594.42017	1.0
597.72101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.5
55.01872	9.1
57.03437	7.7
61.02925	7.2
68.66166	0.6
68.99784	3.5
69.03432	34.4
71.05003	6.2
73.02927	8.1
80.31367	0.6
81.03046	0.6
81.03417	28.0
85.02905	100.0
87.00832	50.9
87.04478	1.3
91.03961	1.9
97.02894	49.5
99.04459	14.2
103.03961	0.9
105.01867	75.5
107.04948	1.2
109.02879	41.6
115.03922	1.4
117.01894	3.0
121.02875	4.4
123.04398	1.3
127.03915	87.4
128.04225	1.0
129.01859	3.2
137.05994	1.2
139.03888	1.9
145.04962	38.2
147.02893	1.7
153.05441	6.3
159.02867	15.2
161.06100	1.0
189.03917	2.7
199.22411	0.7
201.16362	1.2
213.03920	8.1
221.15480	1.1
231.04994	27.7
249.06113	7.7
253.07089	4.7
271.08078	1.6
357.08307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.6
55.01873	9.2
57.03438	6.2
61.02927	7.7
68.99798	3.2
69.03431	37.1
70.06583	1.0
71.01339	1.2
71.04995	5.5
71.42249	1.0
71.79971	0.8
73.02920	8.1
81.03421	27.9
81.03901	1.5
81.07073	1.1
83.01357	1.0
84.13954	0.7
85.02907	100.0
87.00832	51.0
87.04484	0.8
91.03966	1.7
95.84170	0.7
97.02895	46.3
98.97607	0.9
99.04454	14.7
103.03992	1.1
105.01871	82.5
107.04971	0.7
109.02876	40.1
109.10143	1.0
115.03933	2.2
117.01842	3.7
121.02879	4.6
127.03917	87.3
128.04344	0.7
129.01842	3.8
133.43501	0.9
136.06120	0.9
137.05977	4.5
145.04961	42.2
147.02953	1.8
151.03967	0.8
153.05463	6.3
159.02888	16.3
171.02910	0.8
177.03958	1.5
181.04944	0.9
189.03949	2.9
213.03954	7.6
229.14577	1.1
231.04990	32.3
239.16403	1.2
249.06064	11.3
253.07091	3.0
271.08081	1.1
357.08243	1.3
375.09378	1.7
595.06085	0.9
599.36115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39980	0.6
53.03945	4.7
55.01868	6.7
55.05507	1.0
57.03434	4.7
59.05007	1.0
61.02926	8.4
67.05494	3.1
68.99798	1.8
69.03426	31.6
69.07059	2.5
69.14245	4.2
71.05005	4.5
73.02912	5.4
74.74145	0.8
79.05496	8.0
81.03413	22.8
81.07053	7.7
83.01340	1.0
85.02901	100.0
87.00826	38.8
87.04440	1.0
88.01170	0.8
91.03954	2.4
91.05466	4.9
93.07043	16.8
95.04963	1.9
95.08600	9.8
97.02887	41.4
99.04456	12.3
103.03955	0.9
105.01862	69.5
105.04562	1.0
105.07037	7.7
107.08583	12.8
109.02872	32.5
109.10164	7.0
111.04440	0.9
115.03944	1.0
117.01846	1.3
119.08574	6.3
121.10160	4.2
121.10999	0.8
123.11691	1.3
127.03910	80.5
128.04315	1.3
129.01834	2.6
131.08604	0.9
133.10130	5.0
135.11690	16.7
138.62473	0.7
139.03928	0.8
145.04951	38.2
147.02890	3.0
147.11679	8.5
149.13383	0.8
159.02892	13.2
159.11766	0.9
161.13254	3.3
163.06047	4.0
163.14824	1.7
165.12729	1.6
175.14839	2.0
189.03943	2.2
201.16405	1.6
203.17969	20.6
213.03929	8.5
221.19006	9.9
231.04997	30.1
239.20164	1.1
249.06018	14.4
253.07086	2.5
271.08121	1.8
357.08194	1.0
375.09271	1.0
393.10138	1.8
466.41498	0.8
536.38660	0.8
580.23859	1.6
580.43652	2.1
581.25409	5.6
582.02917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01889	1.2
55.05506	4.0
57.03440	2.7
59.04992	1.1
61.02933	3.7
67.05505	1.2
69.03428	8.6
69.07063	1.6
71.05006	0.8
71.45146	1.0
73.02917	2.1
73.48845	0.7
79.05487	1.3
81.03421	3.6
81.07047	2.0
83.01381	0.8
83.04980	1.9
83.08620	0.9
85.02906	45.9
91.03934	2.2
91.05485	1.7
93.07037	2.4
95.08607	2.5
97.02896	12.6
99.04453	2.5
101.06008	1.0
105.07037	3.5
107.08591	2.3
109.02885	3.7
109.06489	0.7
109.07960	0.7
109.10158	3.0
111.08051	0.9
117.07019	2.2
119.08572	2.7
121.06509	2.6
121.10149	1.9
123.11711	1.1
127.03918	9.5
131.08563	1.2
133.10117	1.8
135.08009	0.8
137.05991	1.8
139.07593	1.1
145.04959	19.4
145.06410	5.2
145.10063	1.4
146.07240	0.8
147.11674	3.4
149.09666	1.2
151.07533	15.3
152.07837	0.8
161.09610	6.3
161.13226	1.3
163.06017	8.7
165.09137	1.9
175.07578	1.0
175.11205	1.1
177.09100	57.6
178.09386	1.0
185.50139	0.7
187.14807	1.5
193.12212	10.4
201.09064	1.0
203.10670	3.0
203.17972	5.5
219.17490	1.4
221.11719	68.9
221.18965	3.5
222.12091	1.1
233.15451	1.0
235.17778	0.7
239.12770	100.0
240.13097	2.3
245.11688	0.8
263.12793	2.4
305.13721	3.7
313.11142	0.9
325.11154	1.5
329.13705	1.5
370.28662	0.7
386.20502	0.9
396.57321	1.0
580.22296	25.7
581.24060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	1.2
69.07053	1.7
70.32224	1.0
71.04977	1.0
79.05493	2.1
81.07060	1.2
85.02901	2.5
91.05479	0.9
95.01312	1.6
95.08606	1.0
97.06520	2.5
109.38096	0.9
111.08087	1.6
123.04415	2.8
136.05225	0.7
137.05978	1.3
141.01790	2.4
152.08308	1.4
166.06241	2.9
167.03459	0.7
168.07841	2.6
178.06253	1.4
178.36160	0.7
181.04956	30.6
181.08548	3.0
182.05766	3.9
183.06459	2.1
183.10249	0.8
184.07352	1.4
194.05774	4.3
196.07306	100.0
197.07986	2.4
198.08853	3.0
199.09595	2.7
209.08066	2.1
211.09653	60.3
212.09969	1.3
214.09882	0.9
231.10179	1.5
245.11780	1.4
245.47420	0.8
246.12549	3.0
247.09441	0.8
262.11920	1.6
263.12607	1.2
277.14328	9.8
295.15396	38.0
296.15732	1.0
313.16467	2.4
322.63147	0.7
369.19070	63.0
370.19385	2.1
387.19891	1.0
513.99640	0.8
545.22272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
57.03432	0.5
58.60374	0.3
60.77571	0.3
61.02911	0.4
69.03419	1.0
69.07065	0.5
69.46857	1.0
69.47272	0.6
81.03415	0.5
81.07053	0.8
85.02901	4.4
91.05478	1.0
97.02898	1.2
109.02863	0.5
109.06526	0.8
124.47317	0.3
127.03930	1.3
127.11145	0.3
128.79747	0.3
131.08499	0.3
132.52574	0.3
137.05972	100.0
138.06300	1.9
139.03879	0.7
145.04945	0.9
147.08083	0.4
151.07542	0.7
161.05981	5.9
163.03845	0.3
163.06042	0.6
163.07521	0.5
175.07538	1.5
179.06952	0.5
194.95988	0.3
201.16273	0.5
203.07014	3.6
215.14444	0.4
219.17451	0.5
221.15364	45.2
222.15707	1.4
227.06990	0.4
233.15381	0.4
239.16406	18.3
240.16684	0.6
243.13954	0.4
245.15373	4.6
257.15329	0.5
259.16879	0.5
263.09073	0.6
263.16382	1.4
287.16382	4.3
288.17291	0.4
305.17429	2.8
311.16507	0.6
329.17444	0.8
347.18466	1.4
500.03174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
57.34393	0.3
61.02911	0.5
64.22396	0.3
67.06979	0.3
69.03426	1.5
69.12082	1.9
71.69677	0.3
74.99879	0.3
79.05488	0.6
81.03429	0.4
81.07046	0.6
85.02902	6.4
91.05483	0.8
93.52732	0.3
97.02911	1.7
103.03933	0.3
105.07053	0.3
107.04932	0.5
109.02873	0.8
109.06517	1.1
127.03918	1.1
137.05971	100.0
138.06282	1.8
145.04926	2.0
151.07533	1.1
154.76038	0.3
157.39214	0.3
161.05972	5.7
163.06001	0.9
165.05443	0.4
175.07617	1.5
179.07022	0.6
203.07014	2.7
203.18015	0.3
221.15359	50.8
222.15666	1.9
233.07944	0.3
239.16383	8.7
243.13716	0.4
245.15347	4.0
257.15512	0.5
263.09164	0.9
263.16431	0.9
287.16428	4.0
288.16846	0.3
302.85269	0.3
305.17548	1.6
329.17334	0.8
347.18536	1.6
365.19611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01869	0.2
55.05505	1.8
56.41549	0.2
56.96561	0.4
57.03435	0.6
61.02925	0.7
61.86847	0.3
64.14825	0.2
64.97470	0.2
67.76762	0.2
69.03432	1.4
69.07065	0.3
70.37397	0.2
73.02924	0.4
79.05506	0.4
81.03416	0.6
81.07060	0.9
84.96035	0.3
85.02905	8.3
87.04466	0.3
91.03951	0.3
91.05475	0.8
91.42942	0.2
95.08630	0.5
96.11980	0.2
97.02918	2.0
97.10172	0.3
98.97578	0.5
99.04462	0.4
99.26163	0.2
103.03894	0.4
107.04959	1.7
109.02890	0.8
109.06520	1.4
109.31818	0.2
121.10142	0.3
123.89156	0.2
127.03910	1.6
133.10068	0.2
137.05974	100.0
138.06334	1.7
139.03891	0.7
145.04948	2.2
147.08078	0.4
151.07555	0.9
161.05980	8.1
161.09576	0.3
163.06017	1.2
163.07376	0.3
174.06757	0.4
175.07549	1.7
177.09108	0.4
179.07024	0.4
189.09154	0.5
201.05374	0.3
201.16460	0.3
202.16786	0.5
203.07028	3.3
203.10670	0.3
203.17964	0.4
208.97714	0.3
215.14313	0.3
217.08611	0.3
217.12091	0.3
219.17493	0.4
220.17836	0.3
221.15366	51.7
222.15683	1.3
226.98627	0.5
227.06940	0.4
239.16415	16.5
240.16708	0.6
241.15590	0.3
243.13780	0.4
245.15382	5.0
257.15308	0.6
259.16904	0.7
263.09113	0.9
263.16476	1.4
269.15408	0.3
272.95718	0.2
287.16400	6.7
305.17462	3.3
311.16431	0.4
329.17542	0.8
339.13385	0.3
347.18567	1.7
365.19598	0.7
401.21783	0.3
431.13596	0.3
576.06885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05507	3.5
57.03430	0.7
57.07074	16.0
61.02916	1.2
67.05486	1.0
69.03436	3.0
69.07059	1.4
69.34121	2.5
73.48642	0.5
79.05457	0.5
81.03403	1.2
81.07059	2.8
85.02901	13.7
90.25366	0.4
91.05470	1.2
93.07043	1.3
95.04950	1.0
95.08610	2.8
97.02892	3.4
97.10147	1.7
99.04465	0.5
105.07028	1.7
106.67692	0.4
107.04945	0.5
107.08578	2.2
109.02888	1.0
109.06503	1.5
109.10194	2.1
113.91576	0.4
117.80463	0.4
119.08577	1.2
121.10134	1.0
123.04428	6.1
125.06013	1.0
127.03928	2.9
133.10071	1.2
135.11671	0.9
137.05972	33.0
137.13237	0.5
138.06274	0.8
141.05457	11.2
145.04977	5.7
147.11690	2.2
149.13275	1.1
151.07515	0.5
161.13293	0.8
163.06047	2.4
163.14772	0.7
203.17987	4.6
221.15427	3.0
221.18948	4.2
239.16408	100.0
240.16801	2.6
296.57416	0.5
325.11298	1.0
401.21552	3.1
479.06955	0.5
580.20258	0.7
581.23309	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75636	0.4
53.03950	0.7
55.05507	2.7
57.03427	0.5
59.21847	0.4
61.02922	1.0
65.03926	0.7
67.05160	0.7
67.05503	10.4
69.03411	2.0
69.07067	3.3
71.04985	0.7
71.33959	0.6
74.76592	0.4
79.05488	8.4
81.03437	1.1
81.07056	23.0
82.07401	0.4
83.08604	1.7
85.02895	11.8
91.05475	7.8
93.07042	14.6
95.04971	1.5
95.08604	28.9
96.08911	0.6
97.02894	3.8
100.11236	0.9
105.04499	0.5
105.07030	12.1
107.08588	21.2
107.29967	0.5
109.02882	1.0
109.06530	0.8
109.10153	17.8
111.11700	0.6
119.08576	10.0
121.10142	15.6
123.11697	6.7
127.03905	3.0
131.08580	0.5
133.10124	9.9
135.11681	4.3
137.05933	0.5
137.13263	0.8
145.04965	5.1
145.10143	0.9
147.11687	20.3
149.13220	1.3
159.11737	0.5
161.13254	8.8
163.06024	1.6
163.14838	3.5
170.31284	0.4
175.14815	2.8
177.16374	0.5
182.15280	0.5
201.16301	0.5
203.17944	100.0
204.18265	2.8
205.19493	1.7
221.18979	7.0
245.26221	0.4
269.18420	0.4
325.11206	0.8
347.22101	0.9
383.24210	2.8
580.22345	0.5
580.44080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66993	0.5
53.03930	0.8
55.01877	1.0
55.05499	1.3
57.03437	3.0
58.33138	0.5
60.70794	0.6
61.02924	4.6
63.18456	0.5
67.05506	5.5
69.03430	9.8
69.07067	2.7
70.51729	0.9
70.81691	0.5
71.04981	1.6
73.02901	2.0
79.05487	2.9
81.03414	4.0
81.07053	11.4
82.90204	0.6
83.08611	1.5
85.02904	76.7
87.04428	1.2
91.03954	3.3
91.05472	5.1
93.07050	8.4
95.04951	0.6
95.08606	26.1
97.02892	16.8
97.10159	0.6
99.04455	3.1
103.03934	1.3
105.07035	13.1
107.08595	17.4
109.02867	6.7
109.06506	0.6
109.10155	15.6
115.03944	1.0
117.07025	0.6
119.08576	13.1
121.10139	7.9
123.11722	4.0
127.03025	1.1
127.03919	17.9
133.10127	10.9
133.11121	0.6
135.11696	1.9
145.04950	38.5
145.10124	0.8
147.11682	16.5
149.13248	0.8
153.01871	0.5
161.13249	9.1
163.06017	31.5
163.14798	1.9
165.12785	1.9
175.14819	5.2
177.16365	1.6
200.45290	0.5
203.17946	100.0
204.18277	1.7
218.45943	0.6
221.18996	43.6
222.19472	0.6
239.73386	0.5
274.92786	0.7
276.53366	0.6
289.09149	1.8
325.11295	13.6
329.21091	0.9
347.22134	1.2
365.23102	2.6
383.24289	3.2
401.25018	0.7
542.03320	0.7
580.24078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01861	1.2
55.05497	1.7
57.03448	3.2
59.04990	0.9
61.02929	4.6
62.69158	0.6
65.84715	0.6
67.05499	4.3
69.03427	10.8
69.07053	2.4
71.04979	1.5
71.45523	0.6
73.02896	2.6
75.23617	0.6
77.03902	0.7
79.05471	2.7
81.03419	3.9
81.07057	9.7
83.08596	0.8
85.02902	71.3
86.03218	0.8
87.04452	1.0
91.03954	2.8
91.05471	3.6
93.07048	8.2
95.06525	0.6
95.08607	17.9
97.02890	15.9
99.04456	2.3
100.68558	0.6
103.03918	0.8
105.07024	10.8
106.07344	0.6
107.08598	11.3
109.02868	6.6
109.09419	0.9
109.10155	13.1
111.03874	0.6
114.69372	0.6
115.03899	0.8
119.08581	7.9
121.10161	5.8
123.11685	3.2
127.03903	18.9
133.10129	8.4
135.11694	0.8
145.04950	41.0
145.10132	1.7
146.05254	1.0
146.10474	0.9
147.11688	15.6
159.11739	0.8
161.13266	6.6
163.06012	27.7
165.12770	0.9
175.14850	3.4
188.30338	0.7
201.16466	3.3
202.16788	0.8
203.17947	100.0
204.18263	2.4
219.17433	1.9
220.17703	1.0
221.11746	1.2
221.19025	15.4
233.15236	0.9
239.12741	2.5
240.29420	0.8
271.08163	0.8
289.09158	1.0
325.11243	6.0
329.20825	0.7
365.23013	1.4
580.24469	1.7
581.25800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62938	1.9
53.03953	2.5
55.01875	4.3
55.05525	3.7
55.84340	1.8
57.03444	4.5
59.75620	2.2
60.23600	1.9
61.02924	9.1
66.84144	1.9
67.05510	14.2
69.03426	17.4
69.07063	9.8
73.02914	4.5
79.05501	7.2
79.42143	2.0
81.03416	8.3
81.07057	31.0
82.71545	1.9
84.58400	2.0
85.02905	84.4
86.09707	4.0
87.04488	2.1
91.03986	3.9
91.05486	9.3
93.07043	19.4
95.08607	38.4
97.02892	26.6
99.04402	3.1
105.07040	26.8
107.08589	27.9
109.02889	8.9
109.10152	31.9
111.08105	2.0
115.03980	2.3
117.07041	2.6
119.08587	29.5
121.10157	17.2
123.11697	5.6
127.03909	27.1
130.23813	1.9
133.10138	18.0
135.11711	7.2
145.04958	44.7
145.10165	2.6
147.11691	36.9
159.11723	2.9
161.13261	11.8
163.06003	20.0
163.14815	8.1
165.12799	2.4
175.14844	6.0
180.97874	1.9
203.07089	3.3
203.17952	100.0
204.18228	2.2
221.19002	31.0
230.73488	2.0
239.20064	18.3
263.02170	1.9
325.11249	7.1
363.21402	2.1
391.20581	6.7
429.49573	2.0
529.66461	2.1
580.24231	9.1
581.25568	32.2
584.36981	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	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01863	7.5
55.05509	22.1
57.03444	13.4
57.07059	1.8
61.02915	6.5
65.03941	5.2
67.05505	72.4
69.03424	7.8
69.07067	45.6
71.04981	8.5
73.02925	3.6
74.32048	1.7
77.03903	2.5
79.05492	37.5
81.03427	11.7
81.07055	52.7
83.04987	9.5
83.08627	13.1
85.02897	10.2
85.06539	6.4
91.03945	4.5
91.05476	41.6
93.07044	36.8
95.04977	17.1
95.08601	32.8
97.02887	6.4
97.06530	18.6
97.10155	6.2
99.08113	3.5
103.03903	3.5
105.07029	33.8
107.04979	10.2
107.08598	19.2
109.02870	2.4
109.06506	7.3
109.10162	35.4
111.08076	5.8
113.09513	2.1
115.05473	2.5
117.07013	11.0
119.08585	26.4
121.06487	6.7
121.10146	14.5
123.08041	7.1
123.11711	4.1
125.09623	7.5
127.03888	3.0
129.05513	3.3
129.06979	6.3
131.08551	16.9
133.10144	24.0
135.08051	3.8
135.11696	12.9
137.09616	8.6
143.08557	3.9
145.04939	1.8
145.10101	16.2
147.08028	3.5
147.11693	11.1
149.09621	16.8
149.13242	7.3
151.00551	1.9
151.11151	5.5
155.08461	2.2
157.10101	5.7
159.11682	13.2
161.09627	3.5
161.13252	3.9
163.11165	9.5
165.12837	2.2
169.10115	4.0
171.10143	9.3
171.11646	3.8
173.11726	14.4
173.13269	7.9
175.11203	2.7
177.12732	3.3
179.14328	3.8
181.12294	2.5
185.94769	2.0
187.11273	3.3
187.13257	4.6
193.12178	3.5
229.14326	24.4
229.19394	2.8
231.39462	1.7
233.15398	1.9
239.17966	2.0
243.15948	7.5
247.20560	2.8
253.17964	5.8
255.15862	7.0
257.18970	8.5
257.42953	1.8
267.15921	5.8
269.17355	3.7
271.15286	2.2
273.18469	2.3
275.20050	37.9
283.68619	2.2
285.16812	4.9
291.19537	4.3
293.21097	4.9
349.23715	100.0
367.24573	5.3
383.24164	6.1
477.28210	2.6
580.34247	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	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37910	3.3
53.03944	4.1
55.01868	12.4
55.05508	29.3
57.03434	20.5
61.02931	7.6
67.05502	90.7
69.03429	10.7
69.07063	65.5
71.01357	5.4
71.05002	10.0
72.39621	2.8
79.05489	53.4
81.03408	18.3
81.07053	84.2
83.04970	10.3
83.08627	14.7
85.02917	16.7
91.05470	58.1
93.07036	45.8
95.04962	23.1
95.08606	56.4
97.02888	14.5
97.06531	24.4
97.10167	8.0
98.23511	6.6
99.08091	4.8
105.07027	41.4
107.04959	11.8
107.08604	28.1
109.00871	3.5
109.06516	5.9
109.10152	42.7
111.08080	7.0
117.07005	12.2
119.08569	35.2
121.06497	4.3
121.10130	19.7
123.08076	6.2
123.11739	7.4
125.09655	9.0
127.03905	5.2
129.06981	8.3
131.08549	24.0
133.06561	3.2
133.10109	34.1
135.11688	15.0
137.09618	11.9
143.08542	6.6
145.05136	3.2
145.06404	4.2
145.10104	16.9
147.11681	17.2
149.09560	18.3
149.13274	6.4
151.11189	5.1
155.10583	4.4
157.10135	7.9
159.11687	22.0
161.13251	8.2
163.11195	10.8
169.10106	3.6
171.10182	13.5
171.11577	3.5
173.11736	20.4
173.13249	12.4
175.11218	4.9
177.12785	5.2
179.14276	6.0
187.13336	4.4
189.11230	4.0
217.32106	3.7
227.12852	4.7
229.14319	34.3
233.15279	4.6
239.17966	5.0
243.15923	7.5
247.20499	6.8
253.17940	6.0
255.15984	8.9
257.19022	13.9
267.16019	6.3
269.17447	4.9
271.15363	7.5
273.18512	4.1
275.20041	46.8
279.23239	5.0
291.19556	5.5
349.23703	100.0
350.24106	3.9
367.24741	14.5
383.66650	3.6
477.28342	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	580.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43671	2.2
55.05496	7.3
64.56441	1.9
67.05499	6.3
69.03422	8.7
69.07059	4.3
70.01828	5.8
72.94311	2.0
79.05484	5.2
81.07043	6.3
83.08595	3.4
83.47958	1.9
86.69810	2.2
91.05478	6.6
93.07040	7.3
95.04955	3.6
95.08610	6.9
95.50971	2.0
98.22984	5.4
105.07034	4.7
107.04924	2.9
109.06521	4.3
111.04454	2.8
111.08073	3.3
117.07024	2.2
121.06496	6.3
123.04390	11.6
123.08054	3.3
125.06025	13.0
125.06812	2.5
129.06931	2.8
135.08020	3.7
136.05260	3.2
137.05956	12.8
138.06767	8.5
139.03915	13.1
139.07558	12.3
141.05466	3.6
149.09554	2.7
151.03914	2.2
151.07539	67.3
152.03616	2.0
152.04654	11.9
152.08270	4.3
153.01828	8.4
153.05458	36.2
153.09041	4.5
154.06236	49.9
155.03368	3.5
155.07024	3.7
156.04213	3.3
161.06006	2.0
163.07535	7.3
165.09132	13.8
166.06288	13.2
167.03441	5.9
167.07042	40.2
168.04155	19.9
168.07819	17.5
169.04971	23.4
169.08588	16.8
175.07669	2.4
175.11093	2.5
177.09044	10.7
179.07069	3.2
181.04977	13.5
181.08611	31.8
182.05743	17.6
183.06502	16.4
183.10117	4.3
184.07292	33.4
185.04518	3.4
191.10701	7.2
193.08600	3.1
195.10179	4.2
196.07315	36.1
197.08101	10.9
198.08910	11.8
199.09647	6.7
207.10162	6.2
211.09647	54.3
212.10295	2.4
213.03937	7.0
299.01944	2.2
333.24289	4.2
381.22711	2.6
393.22449	2.5
395.24149	2.7
467.27829	4.9
475.30258	2.7
481.29266	2.9
485.29016	3.0
499.31049	9.9
503.29846	9.8
513.32397	11.4
516.30908	3.2
531.32684	27.9
545.34625	7.9
563.32050	100.0
564.33038	4.6
580.52930	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	580.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24295	2.3
64.22334	2.5
66.10914	2.8
67.05508	6.2
69.07059	5.1
70.86558	2.6
70.86923	2.8
71.44965	2.9
79.05492	8.1
81.07056	12.3
85.46146	2.6
89.11269	2.4
89.57468	2.4
91.05477	5.3
93.07029	4.1
93.23285	2.8
95.04973	6.8
95.08614	5.1
105.04514	2.7
105.07041	3.5
107.04928	6.6
108.58479	2.4
109.06489	7.7
109.10130	2.7
109.82253	2.4
115.21517	2.6
121.06460	4.2
123.04395	12.6
123.08045	3.2
124.05191	3.5
125.06000	7.9
131.04842	3.4
133.06482	6.1
133.99060	2.9
135.04451	2.5
137.05969	50.1
139.03905	9.5
139.07521	12.1
140.04683	4.4
140.17987	2.7
141.05363	3.9
147.04439	4.3
147.08044	5.8
147.68567	2.4
149.05965	3.5
151.07538	13.5
152.04663	8.7
153.05487	24.4
153.06604	3.6
154.06187	2.9
159.41600	3.3
161.05975	5.5
163.07527	6.5
165.05486	3.9
165.09114	3.8
166.06241	5.7
167.03406	14.6
167.07027	49.2
167.08344	5.2
168.04173	100.0
169.04968	19.2
173.06041	5.4
175.07550	5.9
177.05487	11.3
177.09113	5.6
179.07010	8.9
179.10492	2.4
181.04881	3.7
181.08614	7.8
182.05759	26.6
183.02910	4.1
183.06522	76.3
187.07431	5.8
191.07011	3.9
193.08612	10.8
195.06516	4.3
196.07312	7.0
197.08076	32.5
199.06017	4.5
203.07062	5.1
207.06514	3.3
207.10165	6.2
209.08070	36.4
211.09604	4.2
213.07520	33.0
219.10153	3.2
221.08066	3.5
223.09634	4.2
233.11705	3.2
235.09703	4.5
361.23712	4.5
417.20486	3.5
435.21616	3.3
449.23053	8.4
467.24319	19.6
471.27185	11.1
481.25714	7.4
499.26898	89.8
503.29697	4.5
513.28467	7.6
531.29523	18.7
580.29156	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	580.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12677	14.9
69.13103	14.2
72.95544	4.3
74.01022	4.5
79.05470	5.8
91.05431	4.9
93.54118	4.1
95.04913	7.2
102.55645	4.9
104.13601	4.3
123.04433	13.2
125.05989	10.2
137.05971	8.0
139.07523	11.6
142.02692	5.6
151.07541	13.3
153.05476	18.7
154.06175	5.6
155.03397	7.2
166.06252	6.3
167.07062	9.8
168.04065	5.5
168.07797	19.1
169.04974	43.9
169.08563	8.9
170.02046	5.7
179.03439	5.0
181.04849	5.7
181.08606	33.3
182.05780	13.6
183.06497	30.6
184.07323	99.1
185.04443	35.3
197.08035	13.1
198.08887	22.6
199.06000	10.7
199.09641	22.9
211.09651	13.6
219.89676	5.3
229.72931	5.4
337.24384	4.9
364.44675	5.4
365.23254	10.2
466.43225	5.5
471.27271	8.9
485.29031	5.6
499.26703	8.7
531.29565	21.7
532.30292	7.8
548.29773	12.4
563.32172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.1
67.05484	5.0
69.13081	21.6
69.65082	2.9
79.05508	4.9
81.07043	4.1
81.14159	2.9
89.30571	2.7
90.40115	2.6
91.58212	2.8
107.04939	5.3
109.06531	6.6
112.79326	3.2
123.04405	6.5
123.08068	3.5
129.85403	3.0
137.05988	28.8
138.06743	5.5
139.03877	9.4
139.07550	12.5
140.04674	8.4
141.05437	3.4
141.25093	3.3
151.03920	4.6
151.07555	13.1
152.08307	4.5
153.05435	13.1
154.06247	37.0
155.07059	7.9
163.04022	3.4
166.06227	25.6
167.07047	32.2
168.04173	4.4
168.07785	10.3
169.04930	17.2
169.08563	8.9
171.02925	3.4
177.09065	3.1
179.07059	5.7
181.08612	39.3
183.02968	5.3
183.06541	100.0
183.10068	5.1
186.05226	6.8
193.08636	8.9
195.10193	10.6
197.08096	9.0
207.10211	8.5
213.07623	5.5
267.03143	3.7
355.53769	3.4
361.27274	16.8
467.28052	3.6
499.30579	30.4
500.30753	3.6
531.33240	35.2
532.34167	3.9
563.36304	15.0
580.39862	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	581.257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07055	0.7
71.71899	0.6
81.07059	1.2
84.20720	0.6
85.02899	1.1
91.05524	0.5
95.08598	1.2
100.67591	0.6
105.07050	1.0
107.08537	0.7
109.10145	0.9
119.08618	1.0
121.10142	0.7
133.10126	0.6
137.60347	0.6
166.06270	0.6
178.67361	0.6
203.17963	0.8
204.18387	1.3
221.19016	1.1
278.65912	0.7
347.09760	0.7
363.09036	2.0
365.10397	2.8
419.20306	5.7
581.25635	100.0
582.25946	6.1
586.28632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34058	0.6
55.05511	3.9
57.07077	1.1
67.05501	1.0
67.11146	0.6
69.07069	0.8
69.31881	2.9
71.68407	0.6
79.05489	0.9
80.85372	0.7
81.07061	1.4
83.01093	0.7
83.04984	7.1
91.05486	1.9
93.07040	1.7
95.08603	3.0
105.07030	1.8
107.08631	1.6
109.10166	0.6
119.08582	2.0
121.10161	2.5
123.04249	1.7
129.06978	1.1
131.08572	1.5
133.10127	1.3
141.06978	0.5
143.08595	1.4
145.10132	2.2
147.08090	0.7
147.11673	0.7
151.07570	2.7
153.05359	0.7
154.06374	0.6
155.08578	1.3
157.10132	1.9
159.11708	1.0
165.09160	0.8
166.07780	0.9
167.07240	0.9
167.08502	3.1
168.07898	1.3
169.10182	1.3
171.11711	1.8
173.13315	1.6
179.08644	1.0
180.09381	0.6
181.10080	8.0
183.10213	1.1
183.11665	0.9
185.13269	2.4
193.10161	0.7
194.10948	0.9
195.11665	4.4
197.13173	1.0
199.14758	1.3
209.13278	3.3
211.14798	0.8
223.14835	2.9
224.15662	0.8
237.16452	1.3
239.17984	1.8
265.19406	3.5
280.97034	0.6
283.20578	1.3
290.09991	0.7
365.21231	0.6
405.23950	4.1
465.26163	7.2
481.29413	3.4
521.32568	0.8
564.32782	1.3
581.34521	100.0
582.34778	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	582.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01865	0.7
55.05507	1.4
57.03425	0.8
61.02909	0.9
69.03421	2.1
69.63479	0.9
69.63874	0.9
71.05023	0.4
73.02915	1.0
81.03403	0.7
83.01343	1.0
83.04955	0.7
85.02901	9.0
91.03961	0.6
91.05459	0.7
93.07050	0.5
97.02901	3.0
99.04455	0.7
101.05987	1.0
105.07013	0.8
109.02874	1.3
115.05528	0.5
121.06502	1.3
123.04427	0.7
124.75308	0.4
125.05995	1.4
127.03894	1.9
127.82373	0.4
131.08549	1.9
133.06470	3.8
135.08076	0.6
137.05984	2.4
139.03899	3.6
145.04910	2.6
149.05942	0.7
149.09630	3.1
153.05458	13.2
155.49802	0.4
159.08051	2.0
161.05975	49.5
162.06383	0.7
163.06158	0.8
163.07535	5.0
164.04121	0.4
167.07037	2.3
169.10178	0.6
175.07498	0.8
177.05499	2.7
177.09106	14.5
179.07027	33.0
180.07364	0.8
187.07527	1.5
195.10141	1.3
203.06978	0.7
205.08592	17.0
223.09648	68.9
224.09996	1.7
241.10703	100.0
242.11034	2.8
244.44199	0.6
265.10675	1.1
307.11658	3.5
331.12030	0.8
367.13855	0.8
376.51956	0.5
564.23682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01867	2.5
57.03437	27.4
59.04986	2.0
61.02925	12.6
65.03922	1.3
69.03065	2.1
69.03429	41.0
69.03803	2.1
70.03968	2.7
71.01346	4.3
71.04983	1.6
73.02916	61.4
81.03407	10.0
83.05003	1.2
85.02901	100.0
87.04470	3.3
91.03956	4.3
91.05479	60.5
97.02890	82.3
99.04449	4.0
103.03957	2.0
105.07041	1.8
109.02862	7.4
111.04427	1.1
115.03928	60.1
117.07018	1.5
127.03909	33.3
129.06969	1.4
133.04948	16.7
133.06525	2.3
135.04376	1.1
139.03903	1.9
145.04955	49.8
146.92166	0.9
149.05946	1.3
150.07661	1.4
151.03902	1.1
161.04434	2.6
163.06013	29.5
171.08047	1.2
193.04947	1.3
205.08575	2.3
211.06058	1.5
217.06934	1.5
217.08717	1.5
223.06032	7.5
235.09615	2.1
241.07083	11.9
253.10730	5.4
259.08139	13.8
271.11533	1.0
273.79819	0.9
277.09030	1.7
295.10229	27.3
325.11301	9.4
452.01233	1.1
556.19812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01874	0.8
55.05507	2.3
56.85366	0.3
57.03422	1.0
59.05008	0.4
61.02919	1.4
68.33898	0.3
69.03424	2.2
69.38691	1.3
71.04970	0.8
73.02901	0.5
79.05466	0.4
81.03415	1.2
81.18034	0.4
83.04991	0.6
85.02908	10.0
91.03944	0.6
91.05440	0.4
97.02895	2.9
99.04417	0.5
101.05997	0.8
103.05436	0.6
105.07023	0.9
107.04929	1.6
107.08645	0.4
109.02865	0.8
111.04434	1.4
117.07021	1.5
119.08569	0.3
121.06506	2.3
123.04417	2.1
125.05994	5.5
127.03914	1.5
131.04933	0.3
131.49692	0.3
133.06494	13.1
134.06836	0.4
135.08006	1.6
137.05960	2.8
139.03897	8.4
140.04698	0.5
145.04974	2.2
145.06487	1.2
147.04419	0.3
147.08044	0.3
149.05988	1.3
149.09616	4.2
151.03864	0.3
151.07579	0.6
153.05467	17.6
159.08098	0.9
161.05980	41.2
162.06517	0.9
163.03851	0.9
163.06145	0.5
163.07535	6.7
167.07036	2.1
174.18440	0.3
175.07558	0.9
177.05594	2.7
177.09108	20.5
179.07030	29.5
180.07385	0.7
180.08800	0.4
181.04861	0.4
187.07573	1.3
195.10162	1.0
203.07117	0.8
203.10626	0.6
205.08604	9.7
205.12331	0.6
208.07234	0.3
213.00726	0.6
223.09656	61.9
223.13264	3.6
224.09966	1.3
229.00064	0.3
239.12746	0.6
241.10706	100.0
242.11104	2.4
247.09644	1.1
247.13487	0.4
265.10699	0.9
307.11795	0.7
313.10550	0.4
331.11688	0.9
349.12741	0.9
367.13837	0.4
393.73923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00624	0.1
50.01587	0.1
51.02365	0.1
53.03947	0.3
55.01871	0.2
57.03449	0.1
61.09190	0.0
67.05495	0.2
69.39117	0.1
77.03919	0.3
79.05492	1.0
81.03408	0.1
81.07045	0.2
83.08617	0.1
85.02866	0.1
90.73463	0.1
93.07014	0.1
95.04965	1.5
95.08595	0.1
105.04517	0.8
105.07056	0.1
107.04950	100.0
108.05272	1.3
109.10120	0.1
119.08613	0.1
121.10183	0.1
131.08549	0.1
133.10103	0.2
141.96725	0.1
145.10056	0.1
147.11697	0.2
149.09662	0.1
159.11665	0.1
173.20473	0.1
213.09087	0.9
245.13141	0.1
257.19083	0.1
275.20105	0.1
349.23672	0.3
367.24780	0.4
481.79340	0.0
583.26660	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	582.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75924	0.6
53.03942	1.4
55.01860	1.0
55.05488	1.5
57.03430	2.8
57.07064	1.5
60.06750	0.6
61.02919	2.3
65.03942	1.2
69.03426	11.4
69.07044	0.7
71.04990	0.8
73.02924	1.7
75.78309	0.7
78.28580	0.8
78.84812	0.6
81.03411	4.0
81.07048	0.9
83.04991	0.9
85.02902	42.0
91.03941	1.8
93.03412	0.8
95.08602	1.4
97.02898	11.2
99.04445	1.6
103.03931	1.1
107.04935	1.0
107.83559	0.6
109.02901	4.3
111.04409	1.7
115.63343	0.6
121.02840	1.8
123.04345	1.1
125.02293	0.9
127.03914	10.0
137.06039	0.9
139.03896	100.0
140.04298	1.2
145.04951	16.2
149.05984	1.6
151.03975	0.7
161.05774	0.7
163.03867	1.1
163.06033	5.5
163.07373	1.4
171.06448	0.7
177.05522	0.9
181.04945	11.1
199.05981	1.2
205.12280	1.8
223.13283	11.9
241.14334	44.3
253.14331	1.1
265.14426	1.1
277.14114	0.8
307.15439	2.0
314.40012	0.7
365.10455	0.7
367.17654	2.2
403.19690	1.1
582.26013	10.7
583.27344	3.1
583.90582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99605	0.4
60.67974	0.4
69.45478	1.4
70.06585	1.2
72.04478	0.4
72.08151	2.4
81.07042	0.7
84.08128	1.6
89.03909	5.8
91.05450	0.7
112.11234	2.0
113.10773	3.5
114.09160	5.4
117.03373	17.0
129.13869	0.7
134.03615	1.0
135.04416	0.9
138.95068	0.4
145.02846	55.4
146.03125	1.0
149.05969	5.5
155.11774	1.8
161.05969	0.5
170.16544	0.7
171.14912	3.2
177.05467	100.0
178.05783	1.8
184.07550	0.6
186.05493	1.2
188.17610	1.3
190.51999	0.4
214.15541	1.0
218.10518	1.8
219.06496	3.4
219.08340	0.5
233.12843	6.1
234.11240	26.8
235.11644	0.8
245.12955	0.6
276.12311	8.5
288.36563	0.4
305.18704	2.3
331.18893	1.9
336.13232	0.5
346.21240	58.7
347.21289	2.9
364.22253	4.6
388.22473	2.5
389.20560	3.7
406.23364	27.4
407.23874	1.6
419.24026	1.0
420.24384	1.2
432.21072	1.5
522.25958	0.7
582.29456	12.4
583.27307	13.5
585.99371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02359	0.5
69.34605	0.3
72.04508	0.6
72.08141	1.4
77.11175	0.3
78.04713	0.6
84.08125	0.9
89.03905	7.3
91.05464	0.7
97.02921	0.5
98.23610	0.7
100.07610	1.1
103.05452	0.5
105.40152	0.4
106.04172	0.4
112.11246	0.8
113.10752	2.0
114.09152	3.5
117.03374	20.9
134.03621	2.3
134.13728	0.3
135.04419	1.0
137.05969	1.0
145.02835	57.8
146.03217	0.8
149.05962	6.9
155.11792	1.1
161.05809	0.5
167.07051	1.1
170.16530	0.5
171.14922	1.9
177.05453	100.0
178.05780	1.8
186.05479	1.6
187.75754	0.4
188.17574	2.1
214.15544	0.6
218.10620	0.4
219.06491	1.6
219.08699	0.6
233.12817	1.9
234.11235	39.2
235.11531	1.1
244.62633	0.4
262.81992	0.4
276.12280	27.9
277.12656	1.0
346.21231	5.3
347.19473	2.8
388.22272	22.0
389.20984	1.5
406.23325	84.5
407.23611	4.0
419.37473	0.4
509.37003	0.4
582.27765	1.4
583.27539	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	583.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52722	0.4
55.05513	0.7
59.05014	0.6
67.05502	2.7
71.04993	2.1
72.69901	0.4
79.05500	1.3
81.03441	0.7
81.07059	3.1
83.08633	0.7
91.05483	1.6
92.14832	0.5
93.07031	1.3
95.08593	0.9
98.23439	0.9
105.07035	1.0
106.62994	0.5
107.08576	0.8
111.89787	0.4
117.06985	0.4
121.10141	1.0
131.08615	0.8
133.10146	1.3
149.09604	0.7
172.87273	0.5
186.30345	0.5
233.11555	1.1
257.17551	0.5
267.15659	2.6
277.07022	0.4
283.15143	9.8
301.20129	0.5
323.18295	1.9
339.17737	5.1
583.34540	100.0
584.35162	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36145	3.5
54.61088	3.1
55.01847	3.4
55.05513	20.2
57.07067	12.1
62.53226	3.5
63.67451	3.4
66.46671	3.6
67.05511	32.0
69.03448	6.6
69.07069	34.0
79.05492	32.3
81.07062	47.6
83.04991	8.5
83.08617	15.1
85.06551	6.4
91.05476	51.5
93.06467	3.8
93.07049	70.0
95.04990	19.5
95.08614	45.9
97.06544	7.6
98.98467	3.9
103.05420	3.9
105.04527	6.3
105.07030	79.6
106.04180	4.1
107.08597	57.4
109.06513	13.7
109.10148	19.1
115.05457	6.4
117.07024	18.9
119.08586	98.5
121.06520	4.5
121.09317	3.0
121.10149	69.0
123.08078	11.6
123.11665	5.7
128.06212	11.2
129.06985	19.4
130.07817	6.8
131.08586	32.9
133.10120	39.9
135.08044	9.3
135.11699	21.9
137.09645	8.0
137.55740	3.8
139.65565	3.8
141.07005	11.1
142.07771	23.0
143.08582	49.6
144.09315	8.1
145.10124	52.3
147.08058	15.6
147.11661	22.2
149.09656	5.1
149.13235	4.8
151.07556	10.2
153.07034	6.6
154.07814	6.0
155.01068	4.3
155.08540	22.3
156.09375	18.8
157.10139	62.6
158.10860	6.1
159.08076	6.7
159.11734	30.0
161.09792	5.1
161.13240	10.1
163.11139	7.8
165.07024	7.9
165.09137	17.9
166.07799	5.7
167.08551	17.2
167.10674	47.0
168.09389	10.9
169.10121	39.3
170.10881	10.8
171.11708	33.6
173.09621	4.0
173.13283	22.1
175.11302	5.0
175.14880	11.7
179.08568	20.8
180.09364	9.1
181.10156	20.3
181.12263	10.2
182.10927	12.7
183.11687	31.8
184.12369	8.1
185.13257	18.7
187.11195	4.6
189.12746	9.0
191.14313	10.6
192.09384	6.8
193.10083	23.0
194.10873	11.9
195.11740	32.7
196.12381	4.9
197.13284	20.5
199.11153	5.3
199.14850	15.5
201.12756	3.6
201.16428	5.0
203.14412	10.5
206.10883	9.3
207.11716	24.6
207.13670	7.8
208.12494	5.5
209.13260	33.4
210.13976	4.4
211.14771	6.7
215.14336	6.5
217.15900	14.6
218.10765	4.8
219.11700	11.2
220.12476	6.8
221.13232	21.7
221.15385	40.3
223.14789	21.9
225.12685	6.0
225.16432	9.0
231.11662	6.6
233.13242	12.6
233.15436	11.2
235.14709	9.6
237.16309	5.3
239.18050	7.6
244.12526	4.9
245.13263	8.4
246.14072	6.3
247.14813	5.7
247.17102	5.3
249.16440	13.0
257.19064	8.1
259.14877	4.8
260.15604	4.7
261.16263	8.0
263.17966	6.5
265.19424	4.6
266.96533	4.4
273.16342	5.6
275.17889	11.2
281.19089	4.5
283.20486	21.0
284.43515	4.0
289.19250	8.1
331.24265	8.0
346.23007	4.2
349.25320	5.2
361.25430	4.3
375.26721	6.1
491.34802	5.2
565.40320	16.2
583.41449	100.0
584.41711	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.8
57.07076	4.3
67.05199	1.6
67.05489	8.5
69.03445	4.3
69.07079	5.3
70.67083	2.4
72.79637	1.5
79.05512	6.8
81.03423	2.1
81.07057	10.2
91.05465	11.3
93.07044	22.0
95.04974	3.5
95.08609	18.3
105.07027	22.7
107.08609	11.7
109.06541	3.3
109.10192	5.0
114.77711	1.7
117.07025	3.3
119.08554	16.4
121.06535	2.1
121.10149	11.3
123.08103	9.7
128.06213	2.4
129.06976	2.9
131.08556	9.3
133.10146	13.0
135.08092	2.1
135.11685	2.8
137.09650	5.6
142.07797	4.7
143.08545	9.5
144.09378	3.0
145.10120	12.5
147.08063	8.9
147.11685	4.3
149.09618	2.3
151.07538	14.9
155.01003	3.9
155.08571	4.2
156.09410	3.9
157.10127	16.8
159.08054	1.5
159.11687	9.7
161.13278	3.3
163.11221	3.5
165.06934	2.1
165.09119	26.2
167.08678	2.4
169.10193	5.5
170.10994	3.4
171.11694	11.4
173.13307	5.9
175.14880	2.2
177.09171	2.1
179.08627	1.9
181.10188	4.5
182.10968	3.9
183.11772	7.0
185.13234	8.4
187.14833	2.3
189.12738	2.6
191.14293	2.2
193.10239	1.8
194.10960	3.3
195.11748	5.4
196.12514	2.0
197.13318	7.0
199.14917	3.0
201.16356	1.9
203.14272	13.1
207.11922	3.4
207.13899	6.2
208.12341	2.0
209.13231	8.6
210.14072	2.0
211.14934	4.2
213.16415	2.1
219.17400	1.9
220.12561	2.1
221.13284	4.6
221.15327	40.4
221.17413	2.3
222.14014	2.1
223.14883	4.3
225.16330	2.0
231.17477	3.5
233.13168	1.8
234.14001	2.0
235.14903	4.8
237.16475	2.1
239.18047	1.8
245.13425	1.9
247.14763	2.4
249.16518	2.1
253.10269	1.8
253.19434	1.8
261.16321	1.5
265.19562	2.3
273.16565	1.9
275.18045	3.7
277.19611	2.0
279.21088	3.3
283.20645	1.7
287.20056	3.2
291.13229	1.5
295.20667	4.3
297.22293	3.5
311.76999	1.6
333.16840	1.7
348.24286	1.7
349.25415	2.0
375.27081	4.3
403.29919	11.3
503.35431	4.6
509.34525	2.2
547.39868	2.8
565.40430	23.2
566.40619	3.0
583.41498	100.0
584.41931	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.8
57.07068	15.0
59.05003	5.9
65.03936	6.5
67.05509	28.5
69.03432	8.6
69.07075	24.1
69.22893	22.2
75.67464	3.3
77.03960	4.6
79.05497	36.8
81.07052	33.6
83.04975	10.9
83.08616	11.1
85.06539	7.6
91.05478	65.4
93.07050	66.7
95.04960	20.6
95.08610	40.2
97.06530	5.9
97.10152	3.8
98.22599	5.8
103.05493	3.5
105.04498	3.3
105.07033	93.7
107.08595	54.7
109.06515	5.2
109.10159	26.7
115.05412	6.6
116.06246	3.7
117.07018	24.7
119.08585	100.0
120.08817	3.8
121.06499	4.2
121.10153	59.2
123.08051	13.7
123.11742	8.5
125.05988	5.0
128.06204	17.4
129.06999	28.3
130.07802	11.2
131.08566	46.3
133.10135	58.9
135.08073	8.3
135.11702	18.3
137.09608	12.5
141.07004	12.3
142.07788	37.4
143.08563	63.2
144.09348	8.9
145.10141	65.2
147.08044	13.2
147.11684	18.3
149.09604	8.5
149.13255	3.7
151.07520	10.9
153.07001	8.1
153.09032	3.6
154.07794	4.7
155.08565	26.3
156.09392	26.5
157.10135	68.2
158.10916	11.4
158.61467	3.3
159.11729	34.5
161.09598	7.5
161.13162	3.8
163.11205	10.8
165.07048	11.8
165.09109	27.4
166.07724	6.5
167.07283	3.8
167.08565	15.0
167.10706	11.2
168.09346	8.5
169.10136	41.0
170.10849	13.4
171.11714	37.4
172.12323	4.1
173.13257	29.8
175.11089	5.1
175.14786	10.7
179.08525	18.9
180.09380	12.1
181.10120	24.2
181.12245	11.1
182.10895	10.2
183.11693	39.6
184.12427	7.8
185.13277	21.2
187.14841	11.2
189.12737	4.6
191.14325	14.1
192.09334	10.5
193.10138	20.6
194.10947	14.6
195.11684	32.7
196.12396	11.0
197.09575	5.6
197.13278	23.4
199.14809	21.8
201.16354	5.9
203.08667	4.2
203.14308	9.9
205.10118	5.9
206.10928	10.7
207.11681	28.2
207.13684	6.9
208.12473	12.5
209.13277	38.4
210.14058	6.0
211.14824	13.1
213.16388	5.9
215.14159	4.5
217.10158	6.2
217.15894	14.1
218.10995	3.9
219.11775	10.0
220.12514	8.9
221.13223	21.9
221.15382	54.7
223.14809	21.0
224.15491	4.2
225.16475	5.4
227.14290	4.2
229.10107	4.4
231.11717	10.3
231.17357	3.6
233.13255	11.9
233.15367	5.7
234.14107	7.6
235.14725	11.6
236.15591	8.4
237.16400	12.5
239.18105	5.6
243.11658	4.9
244.12514	6.9
245.13229	14.0
246.14043	8.3
247.14786	15.3
247.17058	5.5
248.15594	6.9
249.16417	15.7
250.16965	4.9
251.18005	8.5
253.16034	4.4
257.13330	5.4
257.18973	15.7
259.14853	7.8
260.15451	7.1
261.16403	13.7
263.17969	11.4
265.19482	11.5
269.18982	4.7
273.16437	6.9
275.17990	20.3
276.18353	4.1
277.19611	6.4
283.20673	24.1
284.15048	4.0
289.19406	8.2
290.20282	4.1
311.17969	3.9
331.24261	7.8
349.25287	14.6
361.25128	4.5
375.26752	8.3
491.34802	11.6
565.40637	19.7
583.28595	7.8
583.30859	6.6
583.41632	75.1
584.41315	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.4
57.07081	17.3
59.05000	6.6
59.05304	2.8
65.03945	6.4
65.34827	3.1
67.05499	25.0
69.03435	9.2
69.07072	20.1
70.63847	3.7
79.05494	33.7
81.07060	39.0
83.04989	12.8
83.08636	16.5
85.06543	7.0
91.05479	55.9
93.07047	60.4
94.15120	2.9
95.04971	20.0
95.08610	36.8
97.06485	4.5
100.11279	6.9
103.05458	4.4
105.04540	3.8
105.07028	92.6
107.08599	53.2
109.06534	10.0
109.10163	24.5
111.08089	3.1
115.05431	7.3
117.07023	20.2
119.08577	100.0
121.06505	5.0
121.10148	60.8
123.08078	16.0
123.11732	4.0
125.05994	3.4
128.06210	17.7
129.07005	23.1
130.07785	7.8
131.08560	44.0
133.10135	58.8
135.08080	11.5
135.11685	18.9
135.98613	3.0
137.09612	13.0
141.07021	9.4
142.07788	34.2
143.08563	59.2
144.09340	5.7
145.10124	62.0
147.08063	11.5
147.11693	20.3
149.09637	10.2
149.13290	4.6
151.07539	16.9
153.07013	5.6
154.07779	4.8
155.08575	25.5
156.09344	23.2
157.10126	66.4
158.10904	9.2
159.07994	6.0
159.11658	32.8
161.09654	6.5
161.13274	10.9
163.11215	9.5
165.07011	9.8
165.09105	28.1
166.07715	4.4
167.08589	13.7
167.10664	14.6
168.09375	8.7
169.10123	42.3
170.10898	14.1
171.11693	38.9
173.09679	5.0
173.13266	31.0
175.11246	4.8
175.14835	9.6
179.08522	23.1
180.09360	9.9
181.10143	22.5
181.12192	7.0
182.10942	13.0
183.11676	36.7
184.12433	7.8
185.13225	22.0
187.14857	7.0
189.12782	8.0
191.14331	11.4
192.09346	9.4
193.10133	24.4
194.10905	15.0
195.11653	29.5
196.12494	9.7
197.13258	25.5
199.14803	23.4
201.16345	4.5
203.14349	11.1
205.10144	5.1
206.10927	10.5
207.11711	29.7
207.13689	6.2
208.12390	10.1
209.13235	37.1
210.14024	7.3
211.14893	14.2
213.12770	3.8
213.16364	4.0
217.10170	7.7
217.15834	14.3
218.10880	5.8
219.11707	12.3
220.12466	7.8
221.13268	23.2
221.15408	49.3
222.13925	6.1
223.14758	19.3
225.16478	6.1
227.14409	3.7
227.18076	3.1
230.10971	4.6
231.11717	12.0
231.17549	3.7
232.12329	5.4
233.13245	13.6
233.15349	7.5
234.14120	7.0
235.14857	19.4
237.16411	13.4
243.11708	3.0
243.88087	3.3
245.13266	11.2
246.14082	8.3
247.14825	12.3
249.16272	13.5
251.14438	3.6
251.17928	7.9
255.17642	3.6
257.19070	11.5
259.14865	10.9
260.15570	6.6
261.16348	11.4
263.18021	12.3
265.19556	11.1
269.18964	8.4
271.14752	3.8
272.15552	3.5
273.16336	9.7
274.17151	3.2
275.18027	15.3
277.19458	6.3
281.18979	5.1
283.20557	24.5
287.17618	6.1
289.19431	5.5
293.18878	3.4
295.20615	5.3
308.15359	3.3
309.22260	3.3
331.24231	8.9
333.52942	3.7
345.22195	3.8
349.25293	8.3
375.26578	6.6
491.35156	9.2
565.40222	16.8
583.26477	5.7
583.41315	84.9
584.41779	8.4
605.54169	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	584.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25204	0.6
53.03943	1.1
55.01867	2.7
57.03422	1.7
61.02935	1.3
67.19810	0.5
68.99798	1.5
69.03423	4.9
69.98032	1.1
69.98358	1.2
73.02928	0.8
74.53176	0.5
79.05483	0.8
81.03416	1.7
81.07055	0.6
85.02406	1.0
85.02904	18.0
91.03922	0.6
91.05490	1.8
93.03405	4.3
93.07010	0.6
94.49803	0.6
95.08638	0.6
97.02873	5.5
99.04441	1.1
103.03897	0.8
103.28798	0.6
105.07038	2.7
107.04951	3.3
109.02872	1.6
109.06512	2.0
111.04396	0.7
115.05455	7.3
117.07018	2.6
119.04946	5.1
123.04384	3.6
127.03902	3.4
131.50162	0.5
133.06476	12.5
135.08067	2.7
137.05981	2.5
139.03900	3.6
143.04919	5.8
145.04982	4.2
145.06477	18.0
145.07579	1.2
147.04404	24.0
150.69289	0.6
151.07579	3.0
155.03406	2.2
156.84419	0.6
159.07925	0.8
161.05983	19.7
162.06342	0.7
163.03900	100.0
163.06097	2.5
163.07509	18.7
164.04262	1.8
165.05472	27.1
179.07021	21.6
181.04985	1.3
187.03903	1.1
187.07539	1.0
189.05495	4.0
203.06937	1.0
207.06517	58.3
208.06833	0.9
225.07570	98.1
226.07831	1.8
231.06544	0.9
243.08632	36.6
244.08932	0.8
245.08110	0.9
249.07645	2.1
267.08704	1.2
309.09723	1.5
315.08560	1.3
333.09589	1.6
351.10815	3.4
476.57904	0.6
499.38898	0.6
564.83673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05503	1.8
57.03432	0.8
61.02934	0.9
68.99783	1.0
69.03416	2.3
69.09795	5.4
79.05479	1.3
81.03408	1.3
83.04970	1.8
84.50967	0.8
85.02907	10.6
93.03391	5.6
97.02875	2.7
99.43645	0.7
107.04953	1.4
109.02839	1.3
117.03423	0.7
118.06881	0.8
125.02330	0.7
125.05994	17.7
125.06905	0.9
127.03920	2.3
133.06488	1.4
135.04391	1.8
137.05969	0.9
139.03900	1.4
139.07545	7.5
143.03368	2.2
145.04933	2.3
151.07533	2.2
153.05447	6.5
155.03381	18.4
155.64215	0.7
159.04430	0.8
161.05962	6.6
163.03905	27.7
164.04233	3.2
165.01807	0.7
165.04320	0.9
165.05499	9.7
169.04941	2.6
175.07675	0.8
177.05475	1.6
179.03416	4.0
179.07030	13.7
181.04951	80.4
182.05344	1.1
183.06554	1.5
187.03876	2.0
189.05437	1.3
197.08209	1.3
203.07117	1.3
205.04872	4.5
207.06537	17.2
221.04404	0.8
223.06026	2.8
224.06433	1.2
225.07585	67.9
226.07965	1.1
243.08638	100.0
244.08994	2.1
247.05995	2.8
249.07578	5.7
267.08588	6.5
289.06818	0.7
291.08649	11.9
309.09702	9.8
315.08429	1.2
333.09732	4.2
351.10715	0.9
369.11740	1.0
384.73514	0.7
486.69330	0.7
495.70300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.8
57.07074	2.7
67.05495	2.7
69.07072	2.6
70.14028	3.6
76.48401	1.4
79.05517	3.0
81.03447	1.5
81.07061	2.8
83.08615	1.9
84.05314	1.5
88.05951	1.4
91.05491	3.2
93.07054	3.3
95.08597	4.1
98.23176	3.4
105.07021	2.8
107.04955	1.4
109.02865	2.7
120.22061	1.6
123.04433	10.1
123.08037	2.7
125.05989	6.2
136.05251	2.9
137.06041	3.4
138.06760	2.1
139.07521	4.2
141.05505	2.4
151.07539	8.7
152.04727	4.3
153.05507	8.6
154.06253	3.2
155.07062	4.8
165.05382	1.8
166.06248	4.8
167.03397	2.9
167.07025	11.9
168.04158	1.5
168.07809	16.1
169.04962	38.6
169.08611	2.9
181.04965	6.6
181.08586	25.2
182.05717	15.0
182.09216	2.6
183.06529	18.8
184.07301	100.0
193.08540	1.9
196.07292	26.3
197.08069	11.2
198.08847	21.4
199.09659	26.6
211.09644	46.3
255.05392	1.7
397.09714	1.7
435.31433	2.7
441.26392	2.3
447.27399	5.1
448.28027	1.7
461.29086	16.0
475.26904	3.3
476.27692	4.6
478.29095	2.4
479.29990	3.6
492.27264	3.0
493.31454	4.1
506.28644	5.3
507.29498	83.8
508.30002	3.8
517.27936	2.3
521.31036	14.0
535.28857	5.3
549.30627	13.1
584.33099	7.0
584.55823	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	585.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.5
69.28088	2.5
84.19069	0.5
85.02903	0.9
85.37443	0.6
89.48689	0.5
96.24504	0.4
97.02914	0.6
98.23569	1.0
136.06203	1.0
174.02917	1.2
175.03673	3.5
177.29820	0.5
185.04236	2.3
203.03215	0.6
227.05338	0.9
245.06381	1.5
259.07999	0.9
262.47601	0.5
301.08902	1.3
325.29733	0.5
329.08447	0.6
337.08942	6.1
345.92462	0.5
347.09494	6.2
365.08475	5.4
371.09601	0.9
389.10538	6.6
411.30319	0.6
433.09610	2.5
481.13327	0.7
499.14157	5.9
541.15283	47.6
542.15411	2.3
585.14215	100.0
586.14880	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	585.252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26920	1.3
74.63611	0.2
77.70644	0.2
86.98415	0.2
89.63329	0.2
98.22710	0.5
137.06012	0.2
154.11826	0.2
185.04298	0.3
203.05302	0.3
259.13068	0.2
373.31693	0.3
401.21097	0.3
405.18896	0.3
423.19913	10.4
424.20276	0.4
425.68359	0.3
585.25171	100.0
586.25513	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	585.2667
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.05526	0.8
56.96555	1.1
61.02909	1.7
67.05508	5.3
69.03413	1.8
70.69169	0.7
71.85717	0.8
73.02906	1.2
79.13080	0.6
81.03417	1.8
81.07059	2.4
85.02909	2.7
91.03957	1.6
93.07050	1.3
97.02888	1.3
98.89445	0.8
105.07063	0.8
107.08631	0.9
109.02895	1.4
109.10139	6.1
127.03918	0.8
149.01239	1.3
164.91383	0.8
173.11659	1.5
176.44867	0.8
185.04189	1.0
194.08099	0.7
195.09808	1.1
213.58765	0.7
216.49551	0.9
229.14325	1.4
243.08345	0.8
293.05536	0.8
301.13971	1.0
337.23569	1.2
413.17798	7.1
487.19186	0.8
495.25565	0.8
567.30023	1.0
585.27344	100.0
586.27704	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	585.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61988	0.3
51.11178	0.3
51.76311	0.3
62.69532	0.3
67.05484	0.4
69.47665	1.3
72.30215	0.3
79.05499	0.4
81.07062	0.4
81.62486	0.3
93.07040	0.3
95.08614	0.3
98.97652	0.3
101.99397	0.3
105.07064	0.4
107.08595	0.4
109.10172	0.3
120.92451	0.2
137.05989	0.6
172.17300	0.3
181.04939	0.3
229.61537	0.3
277.07034	0.3
305.08377	1.5
347.09427	0.5
362.11819	0.3
363.08987	0.7
365.10553	13.1
423.23486	1.7
562.00543	0.3
582.76678	0.3
585.28821	100.0
586.29248	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	585.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23272	0.3
68.97900	0.2
69.30453	0.6
69.30860	0.8
70.60277	0.3
81.07050	0.4
83.88169	0.3
91.05516	0.3
95.08627	0.4
105.07001	0.4
109.10294	0.3
119.08562	0.4
125.83447	0.2
181.04898	0.3
185.04134	0.3
203.05286	0.5
235.46631	0.3
237.94966	0.3
245.06438	0.3
270.41483	0.3
275.07321	0.5
291.15582	0.3
305.08377	2.4
365.10550	15.5
368.64825	0.3
405.22467	1.3
423.23550	0.4
525.13824	0.4
541.22998	0.4
580.76733	0.3
585.28815	100.0
586.29144	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
67.05508	0.7
69.07084	0.3
69.28416	1.1
79.05502	0.9
81.07060	1.4
83.08540	0.2
91.05469	0.5
93.07036	0.5
95.08593	1.3
95.22034	0.3
98.08231	0.3
98.22656	0.5
105.07041	1.1
107.08614	0.5
109.10149	0.3
119.08601	0.3
121.10158	0.3
133.10107	0.3
137.05888	0.3
147.11729	0.5
152.98686	0.3
203.05305	0.3
245.06416	0.9
275.07501	0.9
301.11896	5.7
305.08411	4.6
347.09552	0.6
363.09103	0.8
365.10513	14.8
366.11328	0.3
389.00760	0.3
405.22751	0.3
423.23557	0.3
449.02765	0.3
483.52396	0.3
541.22589	0.6
585.28821	100.0
585.90338	0.9
586.29187	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	585.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16256	0.3
70.54685	0.3
95.08627	0.4
97.02875	0.3
105.07018	0.5
107.21799	0.3
115.93607	0.3
121.02881	0.4
145.18088	0.3
183.77260	0.3
184.96851	0.3
185.04268	0.6
189.74747	0.3
203.05313	1.2
212.56381	0.3
236.16240	0.3
259.08032	1.2
295.15378	0.6
303.04932	0.4
331.10138	0.7
349.19913	1.1
423.23453	2.4
457.20367	3.3
471.21918	2.9
487.21774	0.5
497.23572	0.6
499.25308	0.5
585.28815	100.0
586.29181	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	585.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	1.7
57.81082	1.4
67.05500	1.8
71.29045	1.3
71.44554	1.4
81.83602	1.5
89.06030	17.8
90.06387	1.8
95.08635	2.1
105.07016	1.6
110.87865	1.5
130.08560	1.6
133.08572	10.4
149.09750	1.7
173.45442	1.6
176.72417	1.4
177.11244	5.4
239.49808	1.4
245.25302	1.5
311.29208	1.9
317.04602	1.4
371.22684	8.9
372.23093	2.8
555.25653	6.7
570.28271	2.5
584.55786	1.9
585.30292	100.0
586.30731	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	585.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63927	0.5
69.64394	1.5
70.06572	0.5
89.06001	0.7
98.22720	0.7
98.23276	0.9
130.35454	0.5
167.07056	1.1
181.04813	0.5
184.07393	0.6
196.07257	1.1
271.39963	0.5
300.23679	0.6
367.39777	0.6
371.22177	0.7
499.26593	1.2
527.26312	2.5
534.28143	0.5
555.25616	25.2
556.25983	1.3
570.27887	1.8
584.56104	1.0
585.30206	100.0
586.30621	5.3
596.54077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3196
Annotation	Caracurine V
Peak:m/z	Relative Intensity
58.75275	0.8
65.12270	0.9
67.48515	0.7
71.08627	0.8
71.46180	1.0
89.68394	0.9
93.93195	0.7
96.82057	0.8
97.94023	0.9
112.12429	0.8
167.07066	0.9
173.18568	0.8
184.07385	1.8
253.81688	0.8
275.46231	0.9
311.29465	0.9
504.61301	0.9
584.56085	3.6
585.31726	100.0
586.31854	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	585.3246
Annotation	Caracurine V
Peak:m/z	Relative Intensity
50.29615	0.6
55.05518	1.3
58.47995	0.6
67.05509	3.2
69.03412	0.8
69.07058	1.1
69.68755	2.4
71.04987	1.0
78.31976	0.6
79.05488	1.6
79.81635	0.6
81.03403	2.2
81.07064	3.6
83.04971	1.0
83.08627	0.7
85.02906	1.3
91.05463	2.4
93.07037	2.2
95.08607	1.6
98.22754	1.4
101.99812	0.6
105.07040	2.1
109.10152	1.8
112.11034	0.6
119.08597	1.2
121.10149	2.2
131.08578	1.3
133.10141	1.3
147.11658	1.4
149.09654	1.8
193.12209	1.5
233.11415	1.5
251.12521	2.1
267.15967	1.1
269.13574	4.7
282.04794	0.7
283.15170	14.4
325.16187	2.0
332.92236	0.7
339.17715	5.7
360.27725	0.7
413.18060	1.7
537.49402	0.9
541.29785	2.0
548.09418	0.6
556.54126	0.8
567.30768	2.2
585.32739	100.0
586.32819	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	585.3399
Annotation	Huratoxin
Peak:m/z	Relative Intensity
62.40788	0.7
69.12132	3.7
69.12534	1.5
81.07051	0.8
89.06026	0.8
98.23433	1.7
113.09473	0.7
119.08607	0.7
138.86224	0.7
161.95930	0.7
311.29709	1.0
490.25430	1.0
555.29858	6.5
570.31781	2.6
584.55945	1.3
585.34064	100.0
586.34351	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	586.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.54410	0.2
61.02926	0.6
65.03931	1.6
69.03432	1.5
69.27119	1.2
75.68840	0.2
81.03410	0.6
81.03865	0.2
81.66312	0.2
85.02401	0.5
85.02904	7.3
90.04690	0.2
91.05479	100.0
92.05801	1.1
94.67272	0.2
97.02908	2.1
99.04398	0.4
109.02870	0.7
110.03841	0.2
111.95851	0.2
127.03933	1.9
134.97594	0.3
137.02351	0.4
139.03931	0.3
145.04958	3.7
148.17242	0.2
153.01855	0.6
163.05995	1.2
167.03433	1.0
181.04990	1.3
183.02872	0.4
184.70723	0.3
203.87688	0.2
219.78409	0.2
227.07108	0.3
245.08092	5.6
245.10530	0.4
301.47064	0.2
434.11002	0.3
517.63123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01867	2.2
64.18974	0.5
65.03952	2.7
67.05501	1.6
69.03417	1.5
69.43489	1.5
69.43874	1.1
71.04984	0.7
75.04483	3.2
77.03925	1.1
78.04704	2.5
79.05490	3.1
81.07056	1.1
85.02902	4.5
85.06530	1.2
89.03919	0.6
89.06012	1.0
90.72805	0.6
91.05480	10.9
93.03405	10.7
93.07055	6.2
95.04975	4.0
95.08617	1.5
97.02885	1.1
97.06525	2.8
100.09673	0.5
103.05470	5.6
105.04497	1.6
105.07037	7.0
106.04178	23.4
107.04947	1.7
107.08590	1.6
109.02866	1.0
109.06558	0.7
111.04437	0.8
115.05406	0.8
117.03351	0.8
118.04119	1.2
119.04945	2.5
121.06509	25.0
123.04427	1.2
123.08035	0.9
125.05978	6.4
131.04916	1.4
133.02847	3.0
133.06500	7.7
134.03638	3.1
137.05975	5.1
138.06682	0.9
139.07523	2.8
145.02927	0.9
145.04936	0.9
147.04391	1.4
147.08011	0.5
148.05185	2.1
149.05980	38.2
149.13246	1.0
150.06407	0.8
151.03915	1.1
151.07535	1.8
152.08342	0.7
153.05435	1.3
153.09111	10.5
161.05975	12.6
163.07588	3.8
163.79417	0.6
165.05486	1.4
166.06201	1.3
167.07048	1.2
173.13274	1.8
175.07597	0.7
175.28520	0.6
177.05476	20.9
177.09007	0.8
179.06981	1.3
181.08595	19.4
191.07037	11.3
191.14330	1.1
193.08592	13.0
209.08092	100.0
210.08493	1.4
227.16377	2.5
235.09703	0.7
245.17570	2.7
308.39587	0.7
341.13821	0.8
424.04623	0.7
586.25519	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	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03945	1.0
55.01876	1.6
60.04538	0.8
65.03936	2.3
67.05504	1.0
69.67389	2.3
73.02905	1.1
75.04460	3.0
77.03934	0.8
78.04689	2.4
79.05492	2.0
81.03397	1.1
81.07044	1.1
85.02917	3.5
89.06020	0.9
90.61318	0.8
91.05479	9.3
93.03407	10.1
93.07039	5.7
95.04958	5.4
95.08607	1.2
97.06541	2.1
103.05482	5.3
105.04469	1.3
105.07040	3.9
106.04173	21.9
107.04958	2.5
107.08578	0.7
108.05762	0.7
112.38785	0.6
115.05458	0.7
118.04192	0.7
119.04932	2.0
121.06506	26.6
123.04332	1.0
125.05970	8.0
131.04913	2.0
131.08551	1.1
133.02849	3.0
133.06509	4.5
134.03604	3.1
137.05994	5.9
138.06699	1.1
139.07483	2.0
145.02936	1.6
145.04915	0.9
145.06500	1.5
147.04381	2.3
148.05182	2.4
149.05978	37.9
149.13264	0.8
151.03873	0.8
151.07504	1.7
153.05472	1.7
153.09085	10.6
159.08040	1.0
161.05978	8.1
163.07558	2.4
165.05496	1.7
166.06250	1.0
167.07037	10.0
173.05960	1.4
177.05476	20.9
179.07007	2.2
180.92111	0.7
181.04994	1.0
181.08585	19.4
181.10114	1.5
190.06216	0.8
191.07007	14.5
191.14217	0.8
193.08575	7.4
205.08632	1.8
209.08081	100.0
210.08499	1.4
217.08614	2.1
219.10150	0.9
231.10201	1.3
245.17395	1.7
247.09616	1.7
249.11063	1.0
261.07297	5.3
262.08023	1.0
269.08322	0.8
330.11017	2.3
339.12341	1.4
341.13852	1.2
357.13037	1.0
383.14722	5.5
385.16739	1.9
401.15820	2.7
425.13989	3.1
448.74649	0.7
587.19391	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	586.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.5
61.02942	2.1
67.02746	2.0
67.05532	2.4
71.45046	1.9
73.02923	9.6
78.04705	2.2
79.05489	7.6
81.03418	6.0
81.07040	2.1
83.20908	2.1
85.02895	3.1
85.13193	2.1
91.05491	5.3
91.63275	2.0
95.04967	3.3
97.02854	3.6
99.22126	2.4
103.05447	2.3
105.07011	3.7
107.04936	22.8
107.08517	2.2
115.03916	2.5
117.07022	3.4
117.35381	2.1
123.04447	3.2
124.05212	6.6
125.05994	3.9
129.06995	4.5
131.08589	6.3
133.06508	5.2
144.05679	2.8
145.06494	9.3
152.04608	4.6
156.05687	8.2
159.08072	13.5
161.06027	4.0
167.07027	100.0
170.07222	2.7
173.05978	14.6
174.06757	2.4
179.07104	2.2
181.08572	14.7
186.06786	4.5
187.07521	12.0
190.06273	7.6
193.08649	7.1
199.07617	2.9
201.09079	2.5
202.06134	3.5
205.08521	19.9
215.07005	3.0
217.08594	31.4
219.08224	3.4
219.10202	8.3
227.16385	3.5
229.08792	3.1
231.10123	18.1
235.07559	2.8
235.09708	3.1
245.17455	2.9
247.07451	5.3
247.09741	9.4
248.08266	7.8
249.09085	2.5
249.11241	11.7
261.08932	2.6
263.10699	3.9
265.10675	6.4
269.08112	3.7
271.09567	2.8
275.07016	4.0
279.10107	6.0
289.08752	2.6
291.10126	7.2
293.08099	3.5
305.08224	2.4
307.09549	4.7
308.10461	5.6
315.08670	12.3
319.09677	4.0
322.11182	2.4
323.12650	5.5
330.10971	22.8
331.11719	6.1
339.12164	2.8
343.11673	3.4
351.12302	10.3
353.10062	5.9
353.14059	4.4
368.12567	9.4
369.13464	2.8
371.14801	3.1
383.14853	48.8
384.15329	2.8
385.16370	24.2
401.15945	33.9
402.16595	2.6
424.20135	3.0
586.25488	51.4
586.33984	1.7
587.26923	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	586.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.3
57.03436	1.4
57.07076	1.0
59.04999	1.9
61.34909	1.0
67.05499	2.6
69.03426	3.2
69.07063	4.3
69.61436	3.0
71.04972	2.8
77.03941	0.9
79.05502	5.0
81.07043	5.2
83.04992	7.3
83.08614	7.1
85.02899	12.9
85.06549	2.2
91.05460	4.3
93.07045	12.1
95.04971	20.4
95.08601	4.8
97.02877	3.3
97.06540	7.3
97.10113	1.4
99.04470	5.1
99.08073	1.9
100.29462	0.9
105.07058	6.0
107.08588	15.8
109.02857	1.1
109.06532	9.2
109.10148	9.4
111.08082	2.5
115.07573	7.7
119.08588	6.0
121.10143	45.0
123.08074	2.3
123.11690	3.2
125.09613	3.2
127.03882	1.8
131.08586	4.1
133.10130	21.8
135.08018	2.8
135.11708	6.8
137.06009	1.6
139.11172	2.5
145.04984	5.2
145.10127	3.7
147.11699	8.9
149.13229	3.5
151.11198	8.3
153.09074	9.1
157.47665	1.1
158.10905	1.6
163.06036	2.0
163.14848	11.7
167.14287	11.3
173.13249	16.6
175.14828	7.2
191.14291	23.5
192.14694	1.0
193.15881	1.2
209.15364	100.0
210.15680	2.7
227.16417	30.3
371.20407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.2
57.07069	4.8
67.05511	3.8
67.49216	1.5
67.95703	1.6
69.03445	2.2
69.07066	11.7
70.80106	2.4
74.89648	2.1
79.05504	4.5
81.07060	5.4
83.08633	3.3
85.02901	6.0
91.05485	9.8
93.07038	9.9
95.08582	7.7
97.06483	1.9
97.10173	3.4
98.97587	4.4
100.11259	1.7
105.07049	12.3
107.08608	7.4
109.10191	3.8
115.07581	6.6
117.07021	7.7
119.08582	14.0
121.06535	2.7
121.10146	9.0
123.08145	2.5
123.11706	3.6
129.07013	4.8
131.00211	2.0
131.08540	10.2
133.10110	8.3
135.08078	3.0
135.11699	4.8
137.09583	2.0
141.06993	18.2
142.07750	1.8
143.08560	7.6
145.05043	1.9
145.06427	1.7
145.10144	6.8
147.08064	1.9
147.11656	3.4
155.08543	30.7
156.09171	1.9
157.10112	8.3
159.08093	2.4
159.11685	5.7
161.09706	1.6
163.06093	1.9
167.08617	3.2
168.09418	2.2
169.10117	28.6
171.11732	5.5
173.13222	3.4
175.11192	3.3
179.08595	2.4
181.04982	2.0
181.10094	8.9
183.11679	22.7
185.13251	5.8
187.11121	2.0
187.14923	2.6
189.12817	2.1
193.10127	4.6
193.12288	6.9
195.11684	4.9
197.13203	11.9
201.12808	1.9
206.10858	1.9
207.11667	8.2
209.13255	3.4
211.14864	4.0
215.14256	3.1
221.13271	5.3
223.14809	6.1
225.12778	4.9
225.16353	57.0
227.14536	2.6
227.17831	1.7
227.20213	2.0
227.23660	2.3
237.02892	3.0
237.16400	5.0
239.14267	2.3
239.17960	4.4
241.15877	3.7
243.13812	3.4
243.17465	8.3
248.15419	1.5
253.19618	5.7
263.17908	12.5
271.20654	3.4
281.18994	56.8
282.19113	2.3
285.18469	7.4
299.20026	100.0
300.20313	3.6
317.21091	13.8
341.21140	23.9
359.22125	31.8
359.26563	2.3
365.10815	2.5
366.10788	2.0
377.23297	7.2
401.23145	4.1
405.90842	1.8
419.24203	18.1
524.10443	1.9
526.16699	2.7
586.29169	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	586.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06819	3.0
57.07078	34.9
61.83089	2.7
67.97041	2.2
69.07069	3.0
69.19279	2.3
70.70335	4.4
71.08635	24.6
73.06551	5.9
85.10191	22.0
87.04481	7.5
89.06031	100.0
97.10153	4.7
99.11731	4.4
108.00226	2.2
113.13274	3.7
117.09123	9.9
131.07089	2.6
133.08609	62.8
137.05945	2.9
153.05479	2.4
155.17981	4.2
167.06995	2.8
177.11255	20.4
199.20532	3.9
208.52266	2.4
219.47510	2.6
221.13838	6.5
243.23196	9.2
287.25836	6.3
341.10080	2.8
415.25302	6.6
448.61526	2.7
471.15976	6.2
569.42645	9.8
586.44342	4.3
587.20636	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	587.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29700	0.4
69.34152	0.4
70.30501	1.1
79.68804	0.5
89.10393	0.4
169.04704	0.5
172.70135	0.5
185.04179	1.0
204.81236	0.5
261.07333	2.5
262.08096	9.7
263.08948	2.3
281.08774	0.9
306.35846	0.5
425.14142	17.3
426.14349	0.6
511.26102	0.5
536.53900	0.5
587.19434	100.0
588.19641	5.7
605.95337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
53.03946	0.8
59.10202	0.3
67.05500	0.4
68.96313	0.3
69.03423	0.5
76.65221	0.4
77.03912	0.5
79.05490	1.6
81.07018	0.5
85.02900	0.8
95.04964	2.9
98.23534	0.8
105.04504	1.4
105.07004	0.5
107.04951	100.0
108.05280	1.6
109.10143	0.4
119.08562	0.5
121.79772	0.4
129.03110	2.6
139.03859	0.5
167.06795	1.1
168.28784	0.3
185.04224	2.4
188.06966	0.4
188.66272	0.4
195.06267	1.4
203.05298	0.4
213.07330	52.6
214.07751	0.6
319.11502	25.9
320.11713	1.0
375.12622	3.6
481.16800	27.9
482.16696	0.5
497.27036	1.0
543.27844	3.2
569.29327	0.6
586.28687	0.7
587.20667	37.7
587.30084	15.6
588.21136	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87406	2.9
62.11971	3.6
67.05502	7.2
71.45136	4.7
84.37269	3.4
91.05458	6.2
91.65445	4.0
93.07050	4.3
95.04976	7.0
95.08642	4.5
105.07067	3.3
107.08610	5.3
109.10123	3.9
123.04432	20.2
141.05560	3.4
153.05421	4.4
157.41510	3.4
163.07542	3.4
167.46112	3.3
169.05022	21.7
179.07108	4.2
181.04947	66.9
181.06439	6.3
181.08533	4.2
183.06593	4.0
193.08633	5.2
196.07304	100.0
196.09007	6.9
197.07930	3.9
211.09659	71.6
222.72472	3.3
278.44547	4.8
328.72345	3.3
343.26831	3.7
401.26678	3.3
475.23477	3.9
543.33112	4.7
571.32361	4.8
583.61938	3.7
588.40021	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	588.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77798	2.9
57.07076	72.5
79.05499	2.4
81.07040	3.3
83.08617	2.5
87.04471	8.4
89.06032	99.9
91.05477	20.6
93.07060	14.9
95.04973	3.8
103.05492	5.9
105.04516	3.1
105.07075	4.6
107.04958	4.8
109.06557	3.3
115.72911	2.7
119.04963	6.7
119.08610	9.3
121.05717	4.7
121.06513	50.7
130.08716	4.4
131.07051	4.4
133.08609	54.0
135.08060	7.5
147.08052	18.5
149.09601	5.7
159.11778	3.4
165.09102	14.5
176.67329	2.8
177.11235	27.6
177.12778	12.4
205.15852	4.6
209.11743	7.3
221.13600	3.9
221.15425	22.8
252.15535	3.1
265.18146	19.5
333.27753	6.3
371.24301	3.5
403.23294	22.8
415.27130	4.0
425.68106	3.1
459.29498	100.0
460.29614	7.0
571.41998	12.2
584.02075	2.9
588.44403	8.9
589.33069	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	588.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18438	2.3
56.89645	2.1
57.07078	91.2
67.29392	2.5
69.17221	10.1
69.17637	4.4
77.77444	2.2
83.08629	3.1
83.35172	2.4
87.04477	11.2
89.06036	100.0
91.05489	35.5
91.14606	2.5
93.07041	16.1
94.66903	2.6
95.04950	5.9
95.08578	3.0
103.05459	5.2
105.07032	4.2
107.08565	3.3
117.07022	2.8
119.04963	5.9
119.08584	6.5
121.06502	66.2
121.07330	4.9
130.08688	2.6
131.07030	3.2
133.08607	58.2
133.10136	3.2
134.00804	2.4
135.07968	3.7
147.08037	16.9
149.09654	3.2
151.07584	3.8
160.12749	2.8
163.11111	2.6
165.09100	25.3
177.11240	24.8
177.12752	6.6
191.10654	3.9
209.11728	8.2
221.13545	4.7
221.15472	6.5
233.19012	10.3
252.71637	2.4
277.21564	15.4
297.17004	3.3
302.04391	2.6
303.23563	2.4
315.18060	6.3
318.30664	2.8
321.24152	7.9
333.27921	5.6
359.20575	3.9
397.90988	2.4
403.23303	72.4
404.23593	3.6
459.29590	50.3
460.30051	3.1
515.35828	70.1
516.36163	2.8
553.31165	2.7
571.42236	15.5
588.44733	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	589.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73695	0.4
95.01097	0.8
96.01867	0.9
97.02620	0.9
104.06454	0.4
112.54456	0.5
113.02076	0.4
122.83869	0.5
139.03685	0.6
141.05247	1.4
157.04684	0.7
163.36462	0.4
169.04813	1.1
185.04335	0.8
201.04218	0.6
221.06633	0.6
229.17836	0.4
237.06319	0.7
255.05298	1.1
263.05283	7.0
263.45563	0.5
264.06058	20.9
265.06946	6.6
267.07150	0.5
283.06982	1.1
289.83182	0.4
296.21576	0.5
301.05948	1.5
307.06696	1.2
345.08664	0.9
363.09518	0.5
409.10098	2.9
426.11374	0.9
427.12048	16.6
485.40662	0.6
527.14636	0.7
571.16986	0.5
589.17389	100.0
590.17615	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	589.205
Annotation	Pierotin A
Peak:m/z	Relative Intensity
58.39711	0.9
61.23762	0.9
62.47477	0.7
85.02900	1.1
93.03986	0.9
119.07269	0.8
139.03926	1.4
180.43858	1.2
305.08792	0.9
308.48230	0.9
360.69299	0.9
383.53729	1.0
588.41394	1.1
589.20239	100.0
589.28619	6.6
590.20587	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	589.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.3
69.07058	3.6
69.30645	3.5
71.01385	0.7
80.67012	0.9
81.94889	0.8
93.07046	1.2
94.06567	7.2
95.04971	1.6
98.22731	1.8
103.43323	0.8
106.36819	0.8
110.06033	2.4
112.07603	1.7
120.08113	3.6
122.06023	25.7
123.04463	1.0
136.07579	3.2
139.03896	1.6
140.07060	30.0
140.08139	1.7
141.07831	2.7
141.14436	0.8
148.07564	47.3
160.07608	1.1
161.07138	1.0
170.09659	3.1
172.07596	1.3
175.08702	1.2
180.00601	0.8
182.09564	0.9
187.12263	2.9
198.09125	18.8
200.09367	1.5
210.09061	2.5
212.10867	4.2
213.10159	1.4
215.11781	16.2
217.12389	0.9
226.08727	6.1
227.08313	0.9
227.11766	10.4
240.08978	3.7
240.10611	0.9
241.09683	3.3
241.13483	1.0
242.10338	1.8
243.11272	83.9
244.11636	1.5
255.11261	47.7
256.11749	1.4
257.12857	6.7
283.10751	4.7
285.12320	82.1
286.12646	2.7
287.10666	1.3
287.13892	27.6
288.14346	1.0
301.11819	39.5
302.12317	2.9
303.13373	100.0
304.13684	2.3
448.18646	12.2
456.92493	0.9
589.25775	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	589.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25334	1.0
66.22155	0.9
67.05494	2.2
69.07066	4.7
69.60628	1.0
69.60970	3.5
94.06557	6.3
95.04961	2.0
98.23421	1.3
100.97328	0.9
112.07612	1.9
120.08092	3.2
122.06028	17.7
122.90422	1.0
123.04426	1.1
126.75502	1.0
136.07582	2.1
140.07065	24.5
148.07570	38.3
150.05397	1.0
170.09705	3.5
175.08690	1.8
187.12318	4.1
188.10748	1.0
196.67290	1.0
198.09145	20.3
200.10849	2.3
202.19333	1.1
212.10748	4.2
215.11803	15.1
226.08629	4.1
227.11830	7.4
239.11877	1.4
240.08806	2.0
241.09724	3.2
242.10495	1.5
243.11293	87.0
244.11497	2.1
255.11293	37.4
256.11917	1.9
257.12805	5.4
283.10825	3.7
285.12347	81.5
286.12503	2.6
287.13907	22.3
301.11819	35.9
301.15298	1.8
302.12354	2.3
303.13397	100.0
304.13647	2.9
448.18634	12.7
525.29730	1.4
539.81250	1.3
571.25000	1.9
589.25934	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	590.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01868	0.4
55.05512	3.5
55.05754	0.5
56.05001	0.2
57.03424	0.8
58.84270	0.3
59.05005	0.3
61.02914	0.7
62.06070	0.6
63.03937	0.2
67.05495	0.8
68.99775	0.5
69.03428	4.9
69.07054	0.8
69.11772	1.6
70.06585	0.5
70.38969	0.2
71.04987	0.9
71.08627	6.0
72.08142	1.0
73.02914	0.7
79.05499	0.6
81.03412	4.1
81.07047	1.5
83.04972	2.6
83.08615	0.4
84.04492	0.3
84.08149	1.3
84.08585	0.3
85.02899	4.3
86.06065	9.2
87.00822	1.7
87.04450	0.4
91.05487	0.6
93.07043	0.5
94.06516	0.3
95.08596	1.2
96.08125	3.0
97.02892	3.0
98.06039	0.6
98.09689	4.3
98.22706	0.6
99.04448	2.0
99.08085	3.5
100.07673	0.3
101.06011	3.7
103.03934	0.3
105.01854	0.8
105.07035	0.4
107.08573	0.6
108.08089	1.3
109.02880	4.0
109.10127	0.5
110.09689	0.3
111.04433	4.0
113.08392	0.3
114.09158	0.7
116.10726	22.9
119.08588	0.7
121.10133	0.4
122.09670	1.6
124.07561	0.8
126.09159	0.5
127.03911	6.8
129.01831	0.5
129.05479	1.7
136.11205	0.8
137.09619	0.5
140.10675	0.9
142.08614	2.5
142.12253	0.4
143.10677	2.8
145.04948	1.2
147.06572	0.4
154.08585	0.4
154.12260	0.3
154.15900	3.2
155.07045	0.4
159.02870	1.0
164.10674	1.2
164.14351	0.8
166.15923	2.8
168.17488	0.7
172.09691	0.5
173.08093	1.1
178.15871	1.6
180.13852	0.4
182.15417	0.8
184.13286	0.3
187.05969	0.5
190.12236	0.8
196.15123	0.4
196.16951	7.8
198.14915	0.4
203.66516	0.3
208.13332	1.4
213.03966	0.9
214.18002	100.0
215.18352	2.0
226.14371	7.9
231.04961	1.0
244.15427	18.8
245.15822	0.5
255.08611	0.4
271.82813	0.3
301.07541	0.2
324.21704	1.7
329.11899	0.4
333.11777	0.3
341.08652	0.5
342.22736	15.1
343.23010	0.6
347.13382	0.5
376.23267	1.1
377.10641	0.5
406.20621	0.6
418.24274	2.9
444.22226	0.5
448.21677	0.8
462.23318	31.3
463.23407	1.0
474.19623	1.4
492.20749	11.0
546.28821	0.9
590.27954	8.4
591.27911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.77266	0.2
55.01857	0.4
55.05304	0.2
55.05511	2.8
56.84047	0.3
57.03430	0.5
57.07057	0.3
59.04994	0.4
61.02925	0.4
62.06063	0.8
64.80322	0.2
64.99057	0.2
67.05497	0.5
69.03432	2.2
69.07056	0.8
69.58656	0.2
70.06579	0.6
70.62819	0.4
71.04962	0.3
71.08624	5.3
72.08142	0.8
73.02898	0.4
79.05514	0.3
81.03416	2.0
81.07055	1.3
83.04581	0.2
83.04982	2.3
83.08596	0.4
84.08143	0.8
85.02916	2.2
85.06600	0.2
86.06063	4.6
87.00821	1.0
91.05466	0.4
93.07024	0.4
95.08611	1.5
96.08138	2.0
97.02899	1.1
98.06055	0.6
98.09684	4.9
98.10311	0.3
99.04433	0.7
99.08092	2.8
101.06009	2.9
103.03899	0.3
105.01843	0.3
108.08099	1.3
109.02872	2.0
109.08901	0.3
109.10153	0.3
110.06005	0.2
110.09658	0.4
111.04437	2.6
113.08361	0.3
114.09126	0.3
116.10728	14.1
119.08565	0.4
121.10152	0.4
122.09652	1.4
124.07597	0.3
126.09140	0.5
127.03902	2.9
127.07597	0.3
127.14333	0.3
129.01808	0.3
129.05469	1.4
136.11198	0.5
139.03827	0.3
140.10693	0.9
142.08598	1.0
142.12260	0.3
143.10669	2.3
145.04921	0.5
147.06493	0.5
154.08595	1.3
154.12209	0.4
154.15907	2.5
155.07037	1.2
159.02972	0.3
164.10645	0.6
164.14368	0.4
166.15933	2.0
168.17499	0.8
172.09662	0.8
173.08095	1.6
178.15923	1.5
182.15385	0.7
190.12373	0.2
196.16977	7.5
197.65950	0.2
198.14790	0.6
208.13318	0.8
213.03999	0.3
214.18002	100.0
215.18405	1.7
223.34041	0.2
226.14360	9.7
231.05025	0.4
244.13049	0.5
244.15417	5.7
306.20584	0.3
324.21695	4.6
325.21890	0.3
341.08786	0.3
342.22736	30.4
343.23285	0.6
376.23203	0.4
418.24435	1.2
420.14108	0.3
462.23318	15.7
463.23679	0.5
492.20490	0.9
546.29138	0.4
590.27209	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	590.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.05527	2.4
56.06528	0.9
62.06107	2.2
69.03450	4.0
69.07090	1.0
70.06605	0.9
71.05014	0.8
71.08630	6.3
72.08176	1.3
79.05518	1.8
81.03434	3.9
81.07072	2.6
83.04991	4.1
84.08179	1.2
85.02901	5.1
86.06072	16.8
87.00856	2.7
91.05522	2.0
93.07085	2.7
95.04978	1.2
95.08646	1.5
96.08147	3.6
97.02924	3.0
98.09693	10.3
99.04477	1.8
99.08110	5.2
101.06054	3.1
107.08653	1.8
108.08141	1.4
109.02869	4.1
109.10201	0.9
110.89960	0.8
111.04463	7.0
116.10744	25.4
116.54655	0.9
119.08604	3.7
121.10178	1.4
122.09708	0.9
123.11683	1.0
124.07635	1.2
127.03932	6.9
129.05476	1.7
134.09654	1.5
137.09656	1.2
139.03894	1.4
139.37122	0.9
142.08632	9.0
142.12271	5.2
143.10719	5.1
145.05008	1.4
155.07050	2.3
160.13440	1.3
162.12790	0.9
164.10751	4.6
164.22055	0.8
173.08212	1.5
182.15405	4.2
184.13283	1.4
187.05890	0.8
187.22464	0.8
190.12263	3.9
196.17085	1.1
198.14996	1.4
208.13342	7.1
214.18002	6.9
226.14400	35.0
231.05064	1.5
244.15450	100.0
245.15800	1.9
289.09903	0.9
324.21643	4.1
342.22781	44.8
343.23242	2.1
347.13449	1.0
406.20599	1.2
448.21844	1.7
469.97360	1.1
474.19717	3.3
492.20840	27.7
496.73203	0.9
504.28098	0.9
590.28101	6.3
590.42572	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	590.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89885	2.3
57.07076	29.9
59.05002	3.2
60.04787	2.2
63.48122	2.2
66.77173	2.4
69.50992	9.1
69.51318	2.5
87.04474	13.3
89.06034	18.9
91.05485	4.0
93.07047	5.7
97.26875	2.5
98.22741	3.0
103.03944	100.0
111.15363	2.9
112.86678	2.5
118.07756	3.2
119.08593	2.9
121.06503	23.8
124.62477	2.3
131.07040	4.2
133.08577	15.9
135.08041	5.1
147.08037	7.3
163.09760	2.4
165.09097	10.6
207.12279	3.9
209.11717	4.4
211.63177	2.6
233.19003	12.7
235.11765	11.2
246.52472	2.5
277.21619	15.8
279.14310	2.9
321.24127	4.8
403.23434	13.1
417.77951	2.6
461.23672	10.7
515.35809	12.1
563.37482	2.9
573.36145	6.4
590.38916	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	590.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	25.2
61.75299	3.5
62.19969	3.3
64.48345	3.4
67.05514	4.3
69.07040	7.7
71.08630	44.2
75.65350	3.8
87.04475	15.1
89.06036	100.0
91.05473	9.6
93.07043	10.7
103.05463	4.5
119.08585	9.2
121.06515	34.5
121.10107	3.9
131.06975	4.9
133.08607	72.5
147.08057	21.3
151.07504	18.9
157.77931	3.6
163.11234	5.4
165.09122	18.2
177.11200	26.2
186.07144	3.9
191.10680	6.7
209.11873	6.9
221.13940	5.4
235.13280	4.3
247.20564	14.8
253.43843	3.6
285.75430	3.7
289.90143	4.1
291.23135	31.8
335.25769	9.7
447.25775	16.5
533.99017	4.8
573.40143	27.8
590.42322	11.6
591.32208	8.6
610.04968	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	590.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97374	8.7
57.03425	13.7
57.07084	42.7
57.23825	8.3
59.44511	7.9
60.69498	7.7
61.75565	9.5
67.05502	23.0
67.58112	8.5
69.07056	11.1
71.08640	47.3
72.92027	8.1
73.12897	8.0
79.05481	12.1
81.03426	89.6
81.07057	35.9
83.08632	32.7
85.10184	13.1
86.95129	8.4
91.05473	15.0
95.04977	31.9
95.08595	22.6
98.23450	20.2
99.04546	7.9
105.07037	14.5
106.30272	7.9
106.96625	9.4
109.10178	11.0
119.08565	19.7
160.04408	9.0
175.11090	10.4
193.12288	28.3
196.41336	9.2
267.15857	86.8
293.81461	9.5
313.27441	100.0
505.38705	65.0
568.53271	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	591.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10612	0.2
73.12240	0.2
74.44766	0.2
78.40736	0.2
94.93011	38.9
136.94051	0.4
137.04462	0.2
144.22887	0.3
150.91934	2.1
157.66490	0.2
202.89233	0.3
206.88585	12.5
212.85120	0.4
248.89635	100.0
249.89957	0.6
285.18060	0.3
308.90872	0.6
358.43851	0.3
613.10358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88160	5.4
54.37191	6.5
56.96552	7.7
67.05465	5.7
72.49038	5.2
78.48953	5.8
79.05486	7.7
91.05464	8.6
93.07039	12.2
95.08572	8.2
98.97573	8.0
119.08563	6.3
147.11743	7.2
167.07053	15.8
192.38667	5.6
201.89716	6.4
221.54987	5.6
281.06842	7.7
297.03787	5.7
531.91748	7.8
544.46454	6.8
590.31885	20.6
591.14331	61.1
591.21948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98096	1.5
69.60034	5.7
73.62981	1.5
85.02892	1.9
86.29715	1.6
105.06979	1.4
129.46362	1.7
139.03824	3.6
159.00533	27.6
176.80034	1.3
179.11848	1.3
185.04193	6.2
187.14664	1.4
194.38695	1.5
204.35864	1.3
321.05814	100.0
322.05972	2.3
361.02182	2.4
379.03131	2.0
429.06046	2.6
429.11551	38.4
429.17212	3.1
475.53418	1.5
591.16394	69.4
591.40442	1.7
592.16565	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	591.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49675	1.1
111.73414	0.2
139.03929	0.9
153.01831	0.3
178.08939	0.3
203.05299	1.0
209.15379	0.3
225.79387	0.2
231.13661	0.4
238.17197	0.2
253.71666	0.3
289.35660	0.3
303.05322	0.3
354.58228	0.3
388.65402	0.3
411.19839	4.3
429.20963	0.8
575.88458	0.3
591.26196	100.0
592.26465	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	591.3141
Annotation	CHEBI:70541
Peak:m/z	Relative Intensity
52.93263	0.4
53.36777	0.4
60.87417	0.4
67.05489	0.6
69.07053	0.6
69.14710	2.9
91.05482	1.2
95.08600	0.9
105.07014	0.9
106.89566	0.4
107.08540	0.5
109.10142	0.6
115.07690	0.5
117.07037	0.6
119.08614	0.8
131.08588	1.0
133.08447	0.4
141.07007	1.6
143.08554	1.2
145.10126	0.5
145.30026	0.4
147.08052	0.5
150.13892	0.5
155.06796	1.3
155.08517	2.3
169.08897	0.6
169.10069	2.8
171.11720	0.6
179.08604	0.5
183.11674	1.1
188.48932	0.4
195.11836	0.5
199.14821	0.7
207.11800	0.9
225.16383	3.5
281.19049	1.4
299.20062	1.2
339.19479	1.1
399.21396	7.1
400.21255	0.7
459.23538	11.2
460.23730	0.5
531.29504	1.1
591.31372	100.0
592.31818	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	592.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	3.5
67.05491	3.7
67.50305	2.3
69.03419	6.3
71.44902	3.7
79.05494	7.1
81.07075	4.7
83.04987	25.8
83.08614	2.6
85.02951	3.8
90.12576	2.8
91.05443	13.7
93.07042	9.4
95.04956	5.9
95.08589	4.7
97.02917	3.2
105.07034	9.6
107.08600	41.8
107.09262	4.0
109.02906	4.3
109.06528	3.6
113.06010	3.0
117.07015	4.5
119.08580	10.2
121.06500	27.0
121.10148	3.6
123.08070	2.9
127.07592	3.3
131.08566	7.4
133.10143	8.3
135.08051	100.0
145.06500	5.3
145.10152	5.6
147.08076	6.0
150.03197	3.0
153.09084	3.2
158.10936	3.6
159.08078	5.7
159.11697	14.8
161.09598	5.3
161.13306	4.6
163.07549	37.9
173.09683	3.9
173.13295	12.3
177.01849	2.6
181.04955	4.5
183.11708	4.1
185.13353	2.9
186.10381	8.8
187.11201	28.4
191.07059	5.4
194.02182	3.6
201.12724	26.7
203.14264	7.1
203.17957	2.6
205.12190	25.3
209.04430	28.1
211.11151	4.3
219.13821	52.3
229.12231	40.6
247.13287	37.1
251.05649	4.0
257.24484	2.5
287.11896	2.5
321.59143	2.7
365.88333	3.0
385.63873	2.6
557.19977	9.3
592.21130	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	592.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.1
69.03418	3.7
71.08608	3.5
81.03444	2.9
84.22579	1.6
85.02901	11.2
87.00826	29.7
87.04450	2.4
93.84877	1.5
97.02891	100.0
105.01855	13.2
108.39406	1.6
110.03673	2.7
121.06531	1.9
125.05994	27.0
136.39020	1.5
142.29366	1.6
145.04942	1.5
149.06017	3.0
166.04170	1.4
175.07492	2.1
195.13808	75.7
196.14243	2.1
201.03946	38.6
219.05055	9.5
219.13762	11.2
231.16109	1.5
237.14906	10.8
261.14874	3.5
273.14789	11.5
303.16080	1.6
309.83740	1.5
337.18457	1.6
345.08157	3.2
352.61798	1.8
363.09338	2.7
368.74902	1.6
574.64429	1.6
592.33795	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	593.2761
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.76422	1.7
151.07588	1.9
169.04950	3.6
181.08467	4.5
183.06598	2.0
184.07321	5.4
206.32809	2.1
261.34006	2.0
274.77643	1.9
403.19461	3.0
417.21298	2.8
419.22504	3.6
431.18704	8.1
433.24109	3.2
445.20148	9.3
446.20938	3.5
447.21960	6.3
459.22031	3.1
460.22644	8.7
461.23502	6.6
505.22107	3.2
533.25409	20.5
561.30109	2.3
593.27490	100.0
593.37616	14.9
594.27777	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	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.5
65.84481	0.5
67.05515	0.6
67.85946	0.5
68.73141	0.4
69.75691	0.5
71.08645	0.4
81.07026	1.0
103.93002	0.4
115.16116	0.5
126.90536	0.5
156.65079	0.5
229.14287	0.6
310.31183	0.6
313.27380	1.4
364.49222	0.6
389.17807	0.8
402.18524	1.1
403.19180	1.9
404.19800	0.8
405.20654	0.9
417.21240	2.7
418.21661	1.9
419.22339	2.8
430.17459	1.1
431.18158	6.3
432.19504	1.9
432.24194	0.7
433.24225	5.0
434.24667	1.3
445.19781	7.4
446.20679	4.4
447.21579	3.0
459.21509	2.5
460.22498	8.0
460.28516	0.6
461.23218	8.1
462.23560	0.7
473.23376	1.7
474.23779	0.7
476.25919	0.9
477.22815	0.6
487.25238	0.8
491.24582	0.6
505.22000	3.6
518.22449	0.5
533.25470	31.5
534.26013	2.5
561.25067	0.7
564.23901	0.6
565.28418	0.8
588.38220	0.6
593.27557	100.0
594.27777	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	593.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.3
53.03942	0.7
55.01866	0.9
55.05502	0.7
57.03431	2.1
57.07076	0.7
59.04995	0.3
61.02926	2.8
63.95723	0.2
65.03940	1.5
67.05514	0.4
68.99793	0.4
69.03426	10.4
69.07063	1.4
71.01363	0.5
71.05003	1.1
71.08633	0.7
73.02912	1.1
79.05486	0.4
81.03414	3.1
81.07051	0.5
82.16101	0.1
83.01351	0.2
83.04990	0.8
83.08611	1.0
85.02901	37.9
85.10161	0.4
86.03241	0.3
87.04462	0.7
91.03954	1.8
91.05505	0.3
93.03401	0.7
93.07037	0.4
95.04958	0.2
95.08604	0.4
97.02888	9.6
99.04446	1.5
103.03954	1.0
107.04939	0.6
107.08591	0.3
109.02870	3.6
111.04433	3.1
115.03925	0.5
120.98930	0.2
121.02858	2.5
123.04460	1.0
125.02345	0.5
127.03909	9.0
135.04439	0.3
135.08055	0.2
137.05991	0.3
139.03893	100.0
140.04253	1.6
143.03494	0.2
145.04950	13.1
149.06003	1.0
151.03859	0.2
151.07567	0.3
153.05476	0.9
155.03378	0.5
163.03941	1.4
163.06013	2.0
163.07544	1.0
165.81726	0.2
169.04976	0.5
175.51904	0.2
177.05486	0.8
181.04961	0.8
187.11047	0.2
193.05013	0.3
205.05003	1.4
205.15935	0.3
215.92203	0.2
223.16725	0.2
233.15308	2.3
235.06059	0.2
247.05951	0.4
251.16414	11.7
252.16794	0.3
269.17456	21.7
270.17770	0.7
279.15866	0.2
281.17444	0.5
289.17813	0.2
293.17374	1.2
305.17352	0.3
317.17477	0.4
331.19006	0.2
335.18488	2.6
336.18567	0.2
359.18381	1.0
377.19635	0.6
387.14487	0.2
395.20441	0.8
446.38339	0.2
500.95914	0.2
593.28711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91751	0.5
55.05503	1.0
56.05037	1.2
58.06604	27.2
59.98245	0.5
70.06590	0.7
71.34370	0.8
72.08157	9.9
73.06540	1.8
79.05487	0.5
83.04972	0.6
86.06082	3.0
86.06501	0.5
91.05479	0.9
91.66689	0.4
101.06013	4.3
103.05485	1.1
104.07117	1.7
105.07009	2.7
114.05537	2.4
117.96062	0.5
119.07330	4.3
119.18581	0.4
120.08127	3.7
131.04926	1.2
134.09659	100.0
135.09995	2.0
136.11198	0.9
146.87880	0.5
147.54575	0.5
154.12280	0.9
172.13330	5.1
174.12770	3.1
186.11246	4.5
195.14984	0.6
200.12752	0.6
207.89331	0.5
216.10283	1.3
233.12956	0.5
244.13425	0.6
246.14958	1.0
257.18619	13.3
281.16449	7.4
285.18045	6.9
308.20148	0.5
309.15955	9.8
343.20142	6.2
344.20325	0.5
352.04047	0.6
361.21182	7.5
394.21268	1.1
404.25604	1.7
405.68576	0.6
412.22345	2.6
432.24921	1.5
439.72552	0.6
439.78741	0.5
446.26437	8.2
508.27872	0.8
565.33923	5.3
566.34546	0.6
593.24670	0.8
593.33423	10.9
594.33234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.2
55.01895	3.4
55.05515	23.0
57.03442	3.2
57.07092	7.2
58.67572	1.6
59.05008	3.9
67.05503	14.2
67.87388	1.4
69.03428	7.2
69.07072	100.0
69.31931	1.4
69.73466	4.5
70.07404	2.2
71.04988	2.8
71.08635	2.3
79.05489	7.4
81.03432	6.0
81.07066	56.9
83.04971	1.9
83.08621	19.8
85.02915	13.6
85.06564	9.3
87.00822	6.9
91.05471	3.6
93.07047	16.4
95.08611	46.8
96.08948	2.1
97.02903	5.1
97.06525	7.4
97.10172	7.8
98.23392	2.0
99.04475	2.1
99.08105	15.0
100.87036	1.4
105.01877	4.0
105.07048	6.0
107.08605	15.8
109.02883	3.1
109.10168	23.6
110.10471	1.8
111.08073	3.6
111.11726	20.8
113.09624	1.8
119.08621	5.0
121.10155	15.7
123.11710	12.5
127.03960	7.1
127.11201	3.2
129.12706	1.6
133.10147	2.5
135.11720	10.7
137.13252	16.5
139.11180	13.0
145.04927	2.1
147.11758	3.3
149.13284	14.5
151.14854	3.3
153.24313	1.4
159.11719	2.4
161.13188	2.6
163.14815	6.4
167.14374	3.1
169.01323	1.4
177.16417	3.6
179.14227	1.7
191.18062	1.9
205.19489	1.5
209.19019	3.6
211.20647	4.1
213.18381	1.7
227.20268	1.7
261.25623	1.6
279.26978	2.7
291.26923	13.5
297.27899	97.0
298.28299	10.5
308.66183	1.6
309.27908	84.0
310.28354	9.8
327.28958	16.3
399.28995	2.0
417.29932	4.0
521.30780	2.0
556.28387	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38590	2.5
53.77394	2.4
55.05507	38.5
57.07069	8.2
67.05516	11.7
68.99802	2.5
69.07067	36.3
69.07439	2.9
69.73303	7.2
71.08610	3.1
76.93961	2.2
79.05498	5.4
79.70535	2.3
81.07049	11.3
83.01339	6.7
83.08607	10.8
91.05469	5.2
93.07040	3.5
95.08589	8.9
97.10166	9.0
98.22745	4.0
98.79404	2.5
109.06510	5.3
111.11771	2.3
121.06504	3.1
122.42773	2.2
123.04436	12.0
137.05972	52.0
138.06776	8.2
147.04492	3.9
149.06000	9.1
151.07541	13.5
152.07942	4.5
159.07997	2.6
161.06001	5.4
163.07568	19.4
171.08092	6.2
175.07582	4.8
177.09140	13.3
181.04965	8.2
183.08113	4.9
185.09689	2.9
191.10695	2.8
196.07330	11.2
198.06801	6.4
199.07536	20.0
201.09183	2.6
211.07530	6.6
211.09674	9.7
213.09128	15.3
227.07036	31.8
229.08707	3.5
239.07114	6.8
241.08598	32.3
243.06584	10.5
244.07372	16.5
245.08078	38.9
253.08698	3.4
255.10178	3.7
257.08087	61.5
259.09644	37.7
267.10254	3.6
271.09766	7.1
281.11664	2.6
285.11115	12.4
299.12869	7.9
303.23199	4.6
313.14758	2.6
372.02924	2.2
411.25333	3.1
412.26193	5.5
413.26907	25.9
425.26862	53.6
425.32156	4.0
453.29996	3.4
593.37854	5.3
593.45697	100.0
594.45978	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	594.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05530	1.4
57.03422	0.5
61.02922	0.6
67.05515	0.4
68.99777	0.3
69.03438	1.6
69.07061	0.5
69.79469	0.5
71.04990	0.5
73.02919	0.5
77.03925	0.3
79.05509	0.6
80.48788	0.3
81.03415	1.1
81.07053	0.6
83.20319	0.3
85.02404	0.5
85.02907	8.0
87.00808	0.5
91.05474	1.5
93.07056	1.1
95.04967	0.4
95.08600	1.0
95.64437	0.3
97.02889	2.6
97.10172	0.4
99.04427	0.6
105.07033	0.6
107.08588	0.7
108.05743	0.5
109.02870	1.1
109.10189	0.3
119.08539	0.5
121.06482	1.7
123.08044	1.1
127.03916	2.6
133.10110	0.6
136.05202	0.7
139.07555	1.0
143.08678	0.3
145.04964	2.4
149.09650	0.3
151.07541	100.0
152.07898	2.2
161.09596	0.5
161.13263	0.4
163.05995	0.8
165.09103	1.3
167.06955	0.3
175.07539	2.9
177.09146	0.5
189.09090	1.4
189.16292	1.6
191.10698	0.3
193.08568	1.0
199.09586	0.3
212.06947	0.3
215.37787	0.3
217.08621	2.3
227.09140	2.7
235.16925	56.3
236.17261	1.4
253.17990	8.8
257.15311	0.8
259.16864	2.1
277.10770	1.6
277.17944	2.4
301.17908	2.6
311.14908	2.3
319.18900	0.7
329.15985	0.6
343.19043	0.7
354.73230	0.3
361.20114	2.0
379.20987	0.6
397.22379	0.6
594.24908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49062	5.3
57.07067	5.4
67.05501	7.8
69.26413	27.5
82.51999	6.0
85.80764	5.1
89.23866	4.9
89.75179	5.2
91.05457	6.2
93.52964	5.7
98.23566	9.9
100.81827	5.8
109.06537	6.7
111.09722	5.3
120.83785	4.8
123.04421	19.7
125.05060	5.7
125.05972	16.8
137.05978	14.0
151.07578	16.5
153.05453	42.0
153.09076	5.3
155.06992	6.8
165.09087	8.1
166.06232	9.5
167.07048	24.2
168.04124	8.0
168.07736	17.0
169.04979	56.0
176.97433	6.1
179.07021	7.1
181.04945	15.7
181.08617	45.2
182.05775	28.0
183.06506	57.3
184.07307	100.0
185.04333	7.5
196.07318	25.8
197.07980	23.2
198.08920	30.5
199.06004	56.3
199.09663	20.8
209.08104	6.4
211.09673	32.9
213.07651	15.7
216.66937	5.4
233.00188	5.0
379.25208	6.5
413.72311	5.8
481.26373	7.0
485.29044	11.4
513.28271	18.7
545.30768	20.5
562.30951	10.8
577.33679	69.4
594.58179	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	594.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90137	8.4
66.11690	9.3
68.04003	9.7
70.67195	18.8
70.67528	10.3
81.07043	10.1
109.06535	12.8
111.11975	11.4
119.36607	10.2
123.04443	13.1
137.05965	23.3
139.03900	14.9
139.07541	13.8
151.07501	17.4
153.05495	34.7
154.06268	45.2
163.07590	9.8
166.06274	46.2
167.07025	33.7
168.07835	29.5
169.05013	13.3
169.08591	20.2
180.07710	12.9
181.08504	48.1
182.05772	10.5
182.09453	14.1
183.06535	51.8
183.10121	23.1
185.04556	11.1
195.10168	19.0
197.04501	12.8
197.08086	100.0
200.06807	31.1
207.10167	13.2
439.70053	12.9
513.31677	16.2
577.37634	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56300	3.5
63.13269	3.7
67.05532	4.2
71.46410	4.0
73.38891	3.4
74.05323	3.5
79.05490	9.1
81.07040	6.8
88.57913	3.5
91.05465	5.0
95.04979	6.0
107.04939	8.5
109.06504	9.7
111.08089	5.4
121.06457	6.6
123.04440	22.8
124.05188	9.4
125.06001	8.3
137.05975	15.9
137.83739	3.4
138.06755	6.4
139.03822	4.1
139.07513	44.0
140.04712	3.6
141.05472	7.2
151.03880	5.2
151.07513	15.2
152.04662	17.7
152.08371	5.8
153.05478	22.4
153.09099	7.1
154.06262	5.3
155.07031	7.8
163.07559	7.3
165.09158	7.2
166.06244	15.6
167.03365	20.0
167.07031	100.0
168.04152	8.0
168.07794	14.3
169.04985	38.5
170.05757	4.8
177.09125	20.4
181.04941	34.8
181.08539	31.3
182.05699	38.3
182.09264	6.5
183.06497	21.3
184.07304	52.6
191.10637	7.6
193.08545	4.8
196.07315	70.8
197.08083	21.0
198.08844	20.8
199.09601	8.2
207.10197	9.5
211.09648	79.0
225.11275	6.7
315.23239	6.0
331.11667	7.0
347.25674	4.1
481.29086	7.9
482.30099	14.7
513.26373	4.2
513.32123	51.1
545.34656	78.7
546.35046	9.8
566.01593	4.3
577.37189	6.2
594.57758	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	595.145
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
55.01866	1.6
56.89222	0.6
65.03942	1.3
67.05503	1.0
68.99789	5.9
69.65515	2.0
81.03419	2.8
82.50749	0.5
86.01053	0.6
89.63719	0.6
95.04962	1.7
95.91450	0.6
99.04462	1.8
99.78880	0.6
105.03409	1.2
107.04969	2.0
109.02879	3.6
111.00812	4.8
111.04435	1.7
118.32286	0.6
119.04941	1.3
121.02893	1.4
123.04434	25.7
127.03917	100.0
128.04219	1.5
129.06960	0.8
129.70380	0.6
131.04967	1.5
133.02827	1.5
135.04416	17.3
137.02330	1.5
139.03900	71.3
140.04189	1.1
145.02824	0.8
147.04401	5.9
149.02316	3.0
149.05969	1.3
151.03909	17.8
155.03387	1.3
157.06509	1.0
159.04398	2.3
161.06027	2.8
162.86996	0.6
163.03906	24.2
165.05502	4.6
167.03419	5.9
169.04994	1.1
173.06018	2.7
175.03909	7.1
177.05472	5.2
179.03391	16.8
181.04956	2.4
181.06516	0.7
183.04413	1.1
185.06009	1.7
187.03860	3.9
189.05411	1.6
191.03386	10.8
193.04956	2.6
197.05960	1.3
199.03979	0.7
201.05502	6.2
203.03387	13.5
203.07074	1.2
205.04961	4.3
213.05487	3.1
213.29793	0.6
215.03412	1.3
215.07021	2.5
217.04890	3.1
225.05481	1.0
227.03520	0.9
229.04962	7.6
231.06551	1.9
233.04474	5.0
243.06570	2.8
245.04422	7.0
247.06050	22.2
251.05551	1.1
253.04884	0.9
255.06541	1.1
257.04449	10.8
258.04993	0.7
259.06012	7.2
263.05423	2.9
269.04443	3.3
271.05994	9.9
273.07480	0.8
275.05493	14.8
283.06039	6.1
287.05499	27.5
288.06079	1.0
289.07056	8.0
291.08627	11.3
297.07538	0.9
299.05438	7.2
301.07037	10.1
305.06543	6.2
307.08084	6.2
317.06531	3.3
319.08304	0.8
323.05331	0.7
389.06433	0.9
407.07556	6.4
409.09164	9.2
425.08722	9.3
427.10202	6.6
443.09576	5.1
451.10303	1.3
574.78339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	1.3
55.11330	0.6
61.43472	0.6
63.19346	0.6
65.03913	1.0
67.05504	1.0
68.99783	6.2
69.48392	2.7
81.03416	2.7
95.04964	1.9
99.04414	0.8
105.03403	0.7
107.04937	0.9
109.02855	3.3
111.00809	6.0
111.04445	2.1
119.04945	1.9
121.02883	1.9
123.04420	31.1
127.03910	100.0
128.04256	1.4
133.02885	1.5
135.04407	2.5
139.03891	65.4
140.04295	1.4
143.04918	0.8
147.04402	11.8
149.02324	2.1
151.03902	24.0
155.03413	0.8
157.06439	0.8
159.04407	1.2
161.05983	2.5
163.03888	6.0
165.05496	6.1
167.03412	3.8
171.04437	1.7
173.05934	1.3
175.03889	15.6
177.05455	4.4
179.03381	31.7
181.04988	1.4
183.04474	0.7
185.05977	2.1
187.03856	1.4
189.05458	2.6
191.03360	10.0
193.04996	4.0
197.06042	0.7
199.03845	1.3
201.05482	4.9
203.03377	22.0
203.07077	1.2
205.04958	1.8
207.06560	1.1
213.05446	4.8
215.03394	0.8
217.04979	2.8
219.06528	1.1
221.04526	0.8
225.05576	0.6
229.05003	4.2
231.06473	3.0
233.04454	6.6
241.04965	1.8
243.06508	1.0
245.04434	9.1
247.06038	1.9
251.05492	1.3
257.04425	11.3
258.04858	0.8
259.05975	3.6
263.05545	8.2
269.04376	4.1
271.06027	2.4
275.05478	18.9
287.05463	49.8
288.05832	1.5
289.07175	1.0
291.08612	16.6
292.09036	1.1
299.05453	12.9
305.06534	11.6
306.06979	0.6
311.05392	1.1
317.06512	13.5
406.09323	0.7
409.09250	5.7
425.08624	14.0
426.08820	0.8
427.10318	4.7
443.09717	6.8
451.09912	0.9
455.09851	1.2
491.68094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
53.03954	0.5
55.01862	1.1
59.45425	0.6
65.03912	0.9
68.99783	5.4
69.15755	0.6
70.46014	1.1
77.03956	0.6
79.05491	0.9
81.03410	2.2
93.03383	1.4
95.04972	1.3
99.04477	1.1
100.85020	0.5
103.05461	0.6
106.91102	0.6
107.04941	3.0
109.02872	2.4
111.00796	2.3
111.04447	2.7
117.03378	1.5
121.02882	1.8
123.04420	20.2
127.03911	100.0
128.04271	0.8
131.04900	1.7
135.04411	31.3
137.02328	1.6
139.03896	79.3
140.04214	1.0
141.06938	0.9
145.02829	0.7
147.04422	1.7
149.02333	3.3
149.05965	1.6
151.03897	14.7
153.05438	0.7
155.04919	1.0
159.04372	2.9
161.06001	2.1
163.03902	38.5
165.05501	2.4
167.03423	5.0
169.05040	1.4
169.06447	1.4
173.05951	2.5
175.03882	2.3
177.05484	3.0
179.03389	5.0
181.04967	3.4
185.06021	0.9
187.03879	4.8
189.05440	1.4
191.03375	7.3
193.05031	1.7
197.05960	3.3
201.05470	6.6
203.03383	7.1
203.07060	1.1
205.04974	5.2
213.05446	1.7
215.07036	2.7
217.04958	1.3
219.06485	0.7
223.05989	1.0
225.05473	1.1
229.04945	6.1
231.06511	1.6
233.04462	4.9
241.04890	1.9
243.06516	4.7
245.04471	6.1
247.06006	28.7
248.06303	0.8
251.05412	1.4
253.04878	0.7
255.06503	1.8
257.04440	7.5
259.06003	6.2
261.07657	1.1
263.05331	0.7
269.04495	1.3
271.05994	15.9
271.08920	0.9
273.07434	0.8
275.05475	11.6
283.05945	4.5
285.08212	0.9
286.47443	0.6
287.05499	15.8
288.05804	0.6
289.07056	22.8
291.08438	1.5
297.07669	0.7
299.05487	2.3
301.07068	12.7
305.06561	1.0
307.08118	11.3
317.06406	1.0
319.07895	1.5
323.05484	0.7
407.07660	2.4
409.09174	9.8
425.08621	8.0
426.08936	0.6
427.10284	6.7
443.09610	4.1
452.94876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
50.12989	0.9
53.03941	1.2
54.10588	1.0
55.01869	2.0
55.05504	3.5
57.03440	9.2
59.04997	1.6
67.05505	1.7
68.99781	1.1
69.03429	8.5
71.04993	56.4
72.69000	1.1
73.02921	10.1
74.86199	1.1
75.04490	2.7
81.03426	1.2
81.07037	1.3
83.04976	14.6
85.02901	70.6
87.04469	2.2
95.04971	2.2
97.02896	1.5
99.04441	3.0
105.14911	1.0
107.04977	2.2
109.02897	2.9
109.06507	1.1
111.04438	7.0
111.66930	1.2
113.05996	2.0
116.29900	1.0
117.05480	9.0
121.02874	1.1
121.06487	1.0
121.52059	1.0
127.03915	3.4
129.05484	20.7
137.02350	6.0
137.05984	5.5
145.04951	2.3
147.06523	6.3
153.01836	4.1
153.05466	3.4
157.04893	1.3
161.06021	4.3
161.09645	2.5
163.06017	10.1
165.01813	1.9
170.58209	1.0
171.06522	1.2
175.07518	2.0
182.07224	1.2
188.04750	2.6
191.07056	1.2
193.06490	1.8
201.05576	2.0
203.07001	7.2
205.08475	1.4
207.10164	2.9
210.06749	1.3
221.05957	6.0
225.09070	3.7
229.05005	3.0
239.06944	1.2
239.09210	3.3
249.09329	1.3
253.08562	8.0
257.04391	2.7
267.10196	3.9
277.08655	2.4
280.07239	1.1
285.03943	1.2
285.11249	11.3
287.05493	4.2
288.74603	1.0
295.09515	2.3
297.11072	1.9
299.05887	1.0
302.04117	1.7
303.04965	100.0
304.05243	3.0
309.11197	4.4
315.04999	8.3
316.05811	1.7
327.05228	2.1
327.12247	32.0
327.16165	1.7
327.82037	1.2
329.13840	1.5
339.12289	1.5
341.06625	1.7
345.06055	16.3
367.08139	2.1
369.06012	5.4
395.07632	3.8
401.16144	1.6
413.08633	10.7
419.16840	2.0
423.44678	1.1
431.09918	6.7
449.10687	14.1
449.68039	1.2
474.89398	1.3
595.16382	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01861	0.3
57.03443	1.6
61.02917	0.4
67.29687	0.2
69.03425	1.0
69.61478	0.5
69.61854	0.4
71.04996	9.5
73.02914	0.3
74.81884	0.2
75.04481	0.4
81.03417	0.9
83.04964	0.6
85.02908	12.7
87.04446	0.3
97.02895	1.4
99.04457	0.5
105.07018	0.4
107.04970	0.7
109.02882	0.5
111.00796	0.4
111.04390	0.3
117.07016	0.2
119.08576	0.6
121.02894	1.4
123.04449	0.4
127.03923	1.0
129.05492	3.3
133.10110	0.7
137.02298	0.4
137.09641	0.4
143.08578	0.3
145.04964	0.9
147.04422	0.3
147.06517	0.8
147.08034	0.8
149.70944	0.2
150.09122	0.5
153.01839	2.4
161.09621	2.7
163.07497	0.2
165.01845	0.9
165.09157	0.3
183.02899	0.4
185.05894	0.3
189.09187	0.3
203.07048	0.2
207.10197	1.1
213.05467	0.7
231.06544	0.6
241.04887	0.3
258.05255	0.7
287.05499	100.0
288.05789	2.2
311.11310	0.7
329.12195	1.9
449.10684	0.5
595.21606	2.4
598.97290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05501	9.6
55.05709	0.9
57.03437	7.3
65.03951	1.3
67.05503	34.9
69.03458	1.2
69.07056	8.1
71.04990	1.5
79.05488	19.0
81.03414	3.5
81.06568	1.7
81.07050	30.1
83.04977	1.6
83.08611	4.4
91.05477	9.6
93.07038	21.5
95.04958	2.5
95.08606	22.0
97.06548	1.2
97.10168	1.3
98.98463	10.8
105.07025	5.4
107.08581	9.4
109.02883	2.5
109.10159	8.2
117.06974	1.3
119.08582	3.8
121.10141	7.2
123.08025	0.8
123.11698	2.7
127.03911	1.0
131.08560	3.4
133.10146	2.1
135.11725	4.5
145.10103	2.0
147.11658	2.3
149.13284	1.8
155.01085	2.2
157.38763	0.9
159.11731	1.3
161.13203	1.4
163.14874	0.9
173.13237	1.4
179.14331	1.5
261.03647	1.6
261.22226	2.4
277.21674	1.3
335.07407	1.1
335.25769	100.0
336.26001	3.6
350.23322	0.9
351.21255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01868	1.3
55.05511	1.1
57.03423	1.3
60.04516	1.4
67.05485	2.0
69.03434	4.4
69.07063	0.7
69.28280	2.6
71.04984	8.5
73.02895	0.6
79.05056	0.7
79.05494	10.1
81.02551	0.6
81.03416	1.3
81.07061	3.5
83.04966	0.8
85.02907	8.5
86.09711	0.7
91.05478	9.0
93.07045	4.7
95.01331	1.2
95.04967	2.8
95.08614	2.5
97.02876	1.9
97.06522	1.5
99.04459	8.6
103.05432	0.8
105.04518	1.0
105.07023	21.2
107.04948	17.7
107.08591	7.5
109.02869	0.9
109.06503	2.2
109.10150	4.5
111.04443	1.3
113.06001	2.0
113.98299	0.5
115.05483	1.6
117.07016	5.7
119.04977	0.9
119.08585	29.2
120.08881	0.6
121.06490	5.1
121.10147	1.5
123.08064	0.8
125.06014	2.6
127.03908	2.2
128.06233	5.6
129.07011	3.2
130.07767	1.5
131.04950	0.8
131.08528	2.6
132.05669	0.8
133.06493	2.2
133.10123	37.6
134.10411	0.8
135.08047	2.1
135.11693	1.5
137.09604	7.0
139.03889	0.8
141.01788	1.8
143.08563	14.3
145.04956	2.9
145.06516	2.8
145.10147	6.1
146.07254	5.1
147.08044	30.0
151.07573	0.8
151.11237	0.7
159.08064	0.6
159.11670	1.3
161.09610	99.1
162.09943	2.3
163.06117	0.6
163.07507	0.9
163.11256	1.2
165.09111	12.6
171.08008	2.7
173.13208	1.1
174.06773	2.3
179.10652	11.8
189.09094	17.5
191.17863	1.2
197.12064	0.5
201.16316	3.1
207.10158	41.9
208.10548	1.4
213.00516	0.5
219.10036	0.9
219.17456	5.4
225.11177	6.9
237.11272	1.7
237.18463	5.2
255.12103	1.1
255.19521	2.6
257.22617	0.5
275.09341	0.7
287.05435	3.6
288.05634	2.8
293.10129	4.1
299.14896	0.6
311.11234	25.6
329.12289	100.0
330.12576	2.8
381.22659	0.6
385.14832	4.7
403.16010	2.9
487.14392	3.7
489.12582	0.6
578.31281	0.7
596.22095	2.6
596.32410	0.9
597.24719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	7.4
71.45073	3.1
72.87254	2.5
72.94424	2.2
79.05481	6.8
81.07050	8.6
85.02921	5.9
91.05474	11.4
93.07037	15.5
95.04929	6.3
95.08613	30.7
105.07018	37.4
107.08588	12.2
109.06513	5.7
109.10142	4.1
111.08070	16.7
117.07014	3.0
119.04932	4.8
119.08562	28.0
120.45648	2.6
121.06432	3.3
121.10136	8.0
123.08096	5.1
129.07059	2.6
131.08565	22.2
133.10097	11.8
135.04393	3.1
135.08073	16.8
135.11717	2.9
142.07770	3.9
145.10129	13.7
147.11682	7.8
150.03134	5.5
157.08813	3.8
157.10130	14.8
159.11667	20.6
166.11940	2.6
169.10095	2.5
173.09566	3.3
173.13338	3.1
175.11234	4.6
177.01816	9.7
177.05515	4.3
177.12718	11.0
177.16333	6.1
181.04953	6.9
182.10960	3.0
187.11192	2.9
187.14830	23.8
191.03464	4.1
194.02124	10.1
197.13249	10.6
205.15935	13.2
207.16501	2.3
209.02432	5.0
209.04446	100.0
210.04884	3.7
215.14311	24.1
233.15341	16.0
251.05516	7.8
251.16403	11.7
275.05478	3.6
293.06586	2.8
335.18588	5.2
392.71680	2.8
414.36935	2.8
482.95581	2.9
596.25018	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	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01876	8.4
55.05509	52.0
57.03175	2.0
57.03440	19.9
57.07054	1.8
59.04997	6.0
61.02914	4.4
65.03930	2.5
65.81007	1.0
67.05503	100.0
69.03429	5.8
69.07065	13.9
71.01347	2.3
71.04982	6.1
73.02893	3.9
79.05490	25.5
81.03419	14.4
81.05791	1.2
81.07057	36.5
83.01315	2.3
83.04976	11.9
83.08622	23.0
85.02908	22.7
85.06538	3.3
87.04465	10.6
87.17508	1.3
91.03954	2.1
91.05470	15.3
93.07037	13.3
95.04976	7.1
95.08605	14.3
97.02864	8.1
97.06520	4.9
97.10167	33.8
99.08105	2.7
101.02329	1.2
103.03940	12.1
105.07018	4.7
107.04955	5.1
107.08588	14.6
109.02868	1.5
109.06499	2.8
109.10155	80.7
110.10519	1.7
111.04450	6.3
111.08087	5.8
117.06998	4.0
119.08582	11.1
121.06434	1.7
121.10142	4.7
123.08075	2.0
125.08700	2.4
125.09628	45.4
127.03922	1.2
129.05473	1.8
129.06996	1.6
131.08559	3.2
133.10091	1.4
135.11720	8.7
135.12599	1.5
137.09619	5.2
143.10637	7.3
145.10118	7.9
153.12709	11.6
155.10640	9.8
163.11191	13.2
173.04396	2.2
173.09569	2.0
173.11726	44.7
175.11031	1.5
181.12175	8.9
189.11235	3.5
191.10590	6.4
193.12215	3.3
199.13268	11.2
209.11700	14.3
217.14262	7.3
227.12762	17.3
229.14339	85.8
230.14742	2.1
245.13687	2.3
257.13809	30.3
283.15393	19.1
301.16449	50.2
302.16544	2.1
319.17462	12.4
371.72897	1.3
399.23721	5.0
432.97983	1.4
569.17010	1.6
601.81378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01866	9.2
55.05264	3.2
55.05508	45.4
57.03436	18.5
59.04976	6.2
61.02921	4.9
65.03922	2.1
67.05502	100.0
69.03417	7.0
69.07059	13.8
71.01349	2.4
71.04983	6.2
73.02914	4.3
79.05492	27.4
81.03410	14.9
81.07053	31.6
81.10502	1.7
83.04971	11.4
83.08614	22.0
85.02901	23.1
85.06554	3.3
87.04482	7.3
91.03951	2.3
91.05477	13.9
92.70974	1.7
93.07033	16.0
95.04958	5.2
95.08613	15.6
97.02882	7.9
97.06535	4.3
97.10162	34.3
97.10751	2.6
98.22611	3.3
99.08099	1.5
99.67253	1.6
103.03933	11.0
105.07008	5.6
107.04945	7.1
107.08587	18.3
109.06511	4.1
109.10151	80.7
111.04451	4.1
111.08070	5.2
115.47713	1.6
119.08572	12.0
121.06510	2.3
121.10144	6.8
123.08075	2.5
124.97335	1.7
125.09627	38.1
129.07028	2.4
130.58118	1.8
131.08549	3.2
135.08023	1.8
135.11699	9.7
137.09602	3.7
143.10617	7.3
145.10124	8.3
153.12747	8.7
155.09470	1.9
155.10611	8.1
163.11166	16.4
168.76144	1.5
173.09575	3.0
173.11722	34.8
181.12213	5.8
189.11133	2.0
191.10660	4.8
193.12215	3.1
199.13252	16.4
209.11736	13.2
217.14394	4.4
227.12761	13.0
228.41176	1.8
229.14345	65.4
230.14552	2.0
245.13850	4.0
257.13828	50.0
258.14139	2.4
267.15808	2.9
283.15393	16.5
301.16455	42.0
319.17557	7.6
399.23798	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	596.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83720	1.0
53.03943	1.2
54.77196	1.0
55.01853	1.3
55.05519	4.8
57.03429	2.3
61.02930	2.4
67.05508	6.8
69.03426	4.9
69.07078	4.2
71.04993	3.3
73.02920	2.3
79.05508	9.8
81.03405	2.7
81.07053	20.6
83.04976	1.7
83.08617	3.4
85.02906	33.9
85.03421	2.1
87.00881	1.4
90.30096	1.0
91.05478	12.0
93.07039	24.3
93.07602	1.6
95.04964	1.9
95.08604	19.0
97.02881	7.3
97.06564	2.3
99.04455	1.9
100.07658	1.2
100.11257	3.1
104.07182	1.1
105.07025	37.9
107.04940	2.5
107.08593	24.9
109.02909	3.5
109.06541	3.1
109.10152	15.0
111.04478	1.8
111.08089	2.8
115.05473	1.3
117.07027	7.9
119.08578	27.8
121.10114	13.1
123.08116	2.2
123.11683	1.9
125.09634	4.2
127.03920	8.6
128.07144	1.1
129.06963	1.6
130.07774	2.2
131.08565	25.6
133.10123	14.4
135.08017	1.3
135.11710	9.6
139.03918	2.2
143.08556	2.0
145.04945	15.4
145.10114	47.7
147.11673	7.6
149.09673	2.0
149.13237	5.6
151.11176	2.1
155.90927	1.1
157.10136	1.7
159.11690	30.7
159.12955	2.4
161.09653	4.3
161.13252	17.2
163.06015	6.8
163.07497	1.3
163.11237	4.4
173.13248	12.5
175.14793	5.6
177.05505	1.5
177.12828	1.2
182.15454	3.9
189.16380	3.1
191.17957	4.1
193.08575	1.4
199.14905	1.7
201.16379	100.0
202.16702	2.5
203.18002	3.0
204.03773	1.3
207.10158	1.9
210.14917	3.2
217.15970	1.1
219.17442	76.2
220.17781	2.7
223.05998	1.7
235.16949	2.1
237.11223	3.1
237.18478	27.1
255.16028	1.5
255.19601	2.4
311.10953	1.3
325.11261	1.7
329.12323	3.9
370.48495	1.2
377.73422	1.1
381.22470	1.7
399.23779	3.4
532.75531	1.4
580.39911	1.3
596.24139	1.4
597.24371	2.7
597.42975	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	596.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.2
55.05519	5.3
55.60075	2.2
58.31938	2.6
67.05501	6.9
69.07066	4.9
69.88314	5.8
71.08623	2.9
79.05494	5.8
81.07088	5.5
82.23228	2.2
83.01340	10.9
83.08614	2.7
91.05498	6.1
93.07025	5.0
95.04946	7.0
95.08595	5.1
97.06551	2.8
98.23364	3.3
105.07023	3.2
107.04955	5.1
107.08585	4.1
109.02880	3.6
109.06442	2.7
109.10170	2.4
111.00875	2.6
119.49599	2.2
121.06505	4.5
123.04434	10.8
123.08031	4.8
125.05939	11.5
127.03952	2.5
128.15262	2.5
135.08023	2.5
136.05147	2.9
137.05989	8.3
139.00281	23.9
139.03966	2.4
139.07590	13.8
141.01778	2.5
141.05455	8.9
151.07532	32.2
152.04675	9.4
152.76076	2.2
153.01721	2.2
153.05447	18.2
155.03479	2.9
155.07022	7.1
156.73982	2.5
157.01399	3.8
163.07497	4.1
166.06236	12.8
166.99789	18.7
167.03394	4.3
167.07057	34.9
168.07843	24.4
169.04961	49.9
169.08627	3.8
171.02939	4.1
175.07701	2.6
177.09091	7.3
181.05032	3.2
181.06998	5.0
181.08597	77.6
182.05753	7.5
183.06573	23.3
184.07323	100.0
185.00821	4.0
191.10660	5.8
196.07300	3.2
197.08083	9.9
197.57541	2.4
198.08818	17.1
199.02388	35.3
199.09630	23.1
211.09628	4.3
249.85954	2.7
280.13629	2.8
280.62833	2.7
283.11719	2.7
303.05331	3.2
379.21320	2.9
381.22711	11.8
399.25278	3.4
415.35718	4.8
432.12054	3.0
455.24246	4.4
469.26025	3.4
483.23376	3.3
487.27133	4.7
515.26501	14.2
519.29395	6.2
547.29041	56.7
548.30090	12.2
564.29443	7.9
579.31622	94.9
580.32001	6.3
597.29999	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	596.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.4
67.05502	27.3
69.07076	6.1
71.04990	9.1
73.16759	2.5
79.05468	12.7
81.07061	36.1
83.08595	3.6
85.06555	3.0
91.05480	9.2
92.37691	2.6
93.07048	13.4
95.08607	11.6
98.22681	10.5
105.07066	6.9
107.08589	9.4
109.10139	7.2
116.33936	2.4
119.08573	3.3
121.10179	5.4
123.11746	5.6
128.78035	2.9
130.02950	2.8
130.74504	3.0
131.08595	3.0
133.10146	8.6
135.11662	3.1
149.95963	2.8
157.45479	2.7
159.11722	3.8
269.17371	3.0
293.52744	2.7
301.20013	17.8
335.25806	36.8
471.83560	3.0
503.37292	100.0
504.37112	5.4
509.18353	3.1
517.39069	4.0
521.07507	2.8
529.38983	5.5
561.41461	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1815
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01874	4.2
57.03438	4.5
61.02934	3.1
62.29950	2.8
65.03941	3.9
67.05522	2.8
68.99773	3.2
69.03426	3.5
69.94962	9.2
79.05512	3.7
81.03440	5.9
84.41018	2.5
85.02903	26.1
87.21989	2.6
91.05489	6.6
93.03412	16.0
95.01338	3.0
95.04977	6.7
97.02889	12.8
103.03910	4.1
105.03380	3.1
105.07033	4.7
107.04963	21.2
109.02872	12.2
111.04441	3.7
113.20449	3.2
119.04922	9.7
119.98424	2.7
121.02860	22.9
121.06508	7.5
123.04417	11.1
127.03923	6.5
131.04953	5.0
133.02841	3.4
133.06503	3.9
135.04388	17.3
137.05911	5.8
139.03886	38.9
145.02930	3.5
145.06459	5.4
147.04396	20.7
149.02350	6.9
149.05972	5.6
151.03932	20.5
153.01859	7.3
153.05432	4.2
159.04384	5.4
159.11702	3.4
161.02370	3.1
161.05975	6.3
163.03891	13.0
165.01845	7.1
171.04410	4.2
173.02380	4.7
173.05972	6.0
175.00314	4.0
175.03937	4.6
177.01779	17.3
177.05457	12.8
179.03384	4.1
183.02910	4.4
185.05864	3.8
187.03871	10.0
189.01828	25.7
189.05527	6.9
191.03313	14.3
195.02866	32.5
199.03894	3.6
201.01729	4.9
201.05493	14.6
203.03429	11.9
205.01337	9.6
205.04980	6.4
207.02881	45.4
209.04541	4.1
213.05476	4.5
215.03384	14.6
217.01363	5.8
217.04994	4.5
219.02893	89.6
219.17403	4.5
221.04332	7.9
223.02344	10.9
225.03917	18.7
227.03427	5.6
229.05005	20.8
231.02917	40.8
233.04433	23.5
235.02655	3.6
237.03969	25.3
241.04913	5.5
243.02911	25.6
243.06602	8.3
245.04462	6.3
246.04889	3.7
247.06201	4.3
249.03893	24.2
255.02875	10.3
257.04449	18.2
259.02359	3.6
261.03952	100.0
261.06616	6.8
269.04523	8.5
271.05933	9.3
273.03903	42.6
275.05463	6.2
281.04535	4.5
285.03976	42.4
285.06952	3.0
291.05054	24.7
297.03934	13.5
297.07574	13.1
299.05447	11.9
303.04984	35.8
309.03821	4.1
309.07385	6.1
315.04865	9.3
315.08505	3.8
321.05936	16.5
325.07123	3.4
327.04941	45.2
327.08643	20.3
329.06815	2.9
329.10202	15.6
339.08224	33.3
345.06100	10.6
351.08670	15.4
351.98047	3.2
357.05865	8.7
357.10052	4.0
363.07129	30.0
369.06308	6.5
375.06784	3.6
381.09680	38.6
387.07236	7.1
393.09409	27.9
405.08411	31.0
411.10617	17.9
417.09741	4.4
423.10065	22.9
427.10086	6.3
429.11862	30.2
441.10928	33.8
442.72586	3.1
447.10703	25.1
459.12659	27.5
465.11887	6.7
469.28360	3.9
477.11612	6.5
483.12839	10.1
489.12643	3.6
495.12766	15.5
507.12686	8.5
525.13788	15.5
543.15106	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	597.3034
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.17691	1.3
55.05509	11.1
57.03435	6.6
57.07067	2.5
58.91530	1.2
67.05503	26.1
69.07072	11.9
69.22831	5.0
76.03055	1.0
78.25939	1.1
79.05473	6.2
81.03411	1.9
81.06580	1.9
81.07055	31.1
83.08613	6.4
91.05473	4.0
92.00580	1.1
93.07031	8.3
95.08604	23.6
97.06537	2.4
97.10153	4.0
98.98455	7.9
104.10732	1.6
105.07024	3.8
107.08569	4.0
109.02888	2.0
109.10135	7.6
119.08597	4.1
119.82995	1.1
121.10171	2.5
123.11722	2.7
124.05574	1.1
133.10155	2.9
135.11667	1.9
155.01053	2.5
176.80922	1.2
231.64131	1.3
263.23639	3.0
335.07529	1.5
337.27365	100.0
338.27606	4.1
385.66925	1.2
395.86200	1.3
405.34335	1.2
508.16910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.9
57.03436	6.6
57.07051	1.4
65.03922	1.7
67.05161	1.8
67.05501	26.9
69.07071	13.2
69.89901	3.3
72.09570	1.1
72.87455	1.2
79.05492	7.6
81.03407	1.5
81.07054	23.8
83.08607	7.2
88.71848	1.2
91.05489	4.7
93.07053	7.1
95.08604	20.0
97.06495	1.1
97.10140	3.0
98.22699	1.2
98.23252	3.0
98.98483	7.9
101.80099	1.4
105.07013	1.9
107.08591	3.4
109.02905	2.8
109.10159	5.8
119.08598	2.7
121.10143	3.5
123.11697	2.7
127.21097	1.2
133.10126	3.4
135.11763	1.3
137.13170	1.7
138.76424	1.3
155.00986	2.7
164.62349	1.3
261.03638	1.8
263.23645	2.0
301.19827	1.6
337.27347	100.0
338.27679	2.4
446.63507	1.4
537.29468	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01871	1.2
55.05511	3.1
57.03434	3.8
67.05508	3.1
69.03430	5.8
69.07064	1.3
71.04988	4.6
79.05489	9.2
81.03421	1.6
81.07050	25.8
81.07502	1.7
83.04979	2.4
85.02888	6.0
85.06514	0.8
87.00848	1.4
91.05470	5.7
93.07038	25.8
93.07603	1.7
93.29713	0.7
94.29596	0.9
95.01321	2.5
95.04958	3.9
95.08614	2.3
97.02911	1.0
97.06520	2.4
99.04447	5.7
105.01862	3.2
105.07024	27.2
107.04955	1.2
107.08591	25.6
109.02907	1.5
109.06517	5.0
109.10131	1.2
111.08072	0.9
117.07014	2.0
119.08578	10.2
121.06495	16.6
121.10138	30.2
123.08101	2.2
127.03940	2.3
127.07557	5.5
129.05544	0.9
130.07782	1.9
131.08551	2.2
135.08035	8.9
135.11687	13.2
139.07535	0.9
139.79832	0.9
141.01849	3.5
145.04924	1.1
145.10110	27.9
145.11221	1.6
146.10410	0.9
147.08064	1.2
147.11693	3.8
149.05954	1.5
149.09601	7.7
153.12729	6.6
157.08615	2.4
159.02853	1.2
163.11176	85.3
164.11533	2.3
169.69832	0.8
173.09621	5.2
181.12210	12.5
191.10655	39.5
192.11009	1.3
209.11720	30.4
227.12791	18.0
231.05055	1.0
265.14362	13.2
276.98404	0.8
283.15387	66.6
284.15717	2.0
293.54486	0.9
301.16422	2.3
313.12729	1.4
331.13803	4.3
369.15488	3.2
387.16464	100.0
388.16806	4.7
401.15894	3.9
405.17435	6.5
441.17438	0.9
490.22714	0.9
563.19501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01871	1.2
55.05511	3.1
57.03434	3.8
67.05508	3.1
69.03430	5.8
69.07064	1.3
71.04988	4.6
79.05489	9.2
81.03421	1.6
81.07050	25.8
81.07502	1.7
83.04979	2.4
85.02888	6.0
85.06514	0.8
87.00848	1.4
91.05470	5.7
93.07038	25.8
93.07603	1.7
93.29713	0.7
94.29596	0.9
95.01321	2.5
95.04958	3.9
95.08614	2.3
97.02911	1.0
97.06520	2.4
99.04447	5.7
105.01862	3.2
105.07024	27.2
107.04955	1.2
107.08591	25.6
109.02907	1.5
109.06517	5.0
109.10131	1.2
111.08072	0.9
117.07014	2.0
119.08578	10.2
121.06495	16.6
121.10138	30.2
123.08101	2.2
127.03940	2.3
127.07557	5.5
129.05544	0.9
130.07782	1.9
131.08551	2.2
135.08035	8.9
135.11687	13.2
139.07535	0.9
139.79832	0.9
141.01849	3.5
145.04924	1.1
145.10110	27.9
145.11221	1.6
146.10410	0.9
147.08064	1.2
147.11693	3.8
149.05954	1.5
149.09601	7.7
153.12729	6.6
157.08615	2.4
159.02853	1.2
163.11176	85.3
164.11533	2.3
169.69832	0.8
173.09621	5.2
181.12210	12.5
191.10655	39.5
192.11009	1.3
209.11720	30.4
227.12791	18.0
231.05055	1.0
265.14362	13.2
276.98404	0.8
283.15387	66.6
284.15717	2.0
293.54486	0.9
301.16422	2.3
313.12729	1.4
331.13803	4.3
369.15488	3.2
387.16464	100.0
388.16806	4.7
401.15894	3.9
405.17435	6.5
441.17438	0.9
490.22714	0.9
563.19501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01872	1.0
55.05505	1.6
57.03435	1.0
61.02921	1.3
69.03417	1.7
70.69557	0.8
79.05481	1.2
81.03416	0.9
83.04977	2.0
85.02899	9.8
91.03970	0.7
97.02895	2.6
101.06062	0.6
105.07001	1.7
107.04937	1.3
109.02842	0.9
111.04424	0.9
112.23257	0.7
115.05468	0.8
117.03374	1.0
121.06491	1.7
123.04368	0.8
127.03942	1.7
128.11900	0.7
131.04913	1.6
131.93433	0.7
133.06470	2.6
135.04434	1.3
136.06183	1.9
139.03894	11.0
145.04927	2.2
147.04384	0.8
147.07950	1.2
149.05966	4.0
151.07538	1.8
153.05498	0.7
155.03409	1.6
157.04988	5.6
161.05946	2.6
163.03896	15.0
165.05476	2.0
165.09117	1.8
167.07016	2.5
169.04965	21.5
175.07558	3.0
177.05464	12.7
177.09018	0.9
179.07007	6.5
180.04111	1.0
180.08698	0.8
183.06537	2.8
193.04941	0.9
193.08592	8.5
195.06522	84.7
196.06802	1.6
203.07082	0.8
211.09679	1.9
221.08051	3.7
234.13466	2.1
239.09134	86.4
240.09517	1.8
255.01413	0.7
257.10193	100.0
258.10583	3.3
365.12329	1.0
401.15491	0.9
536.27271	0.8
544.31445	0.8
598.34558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27462	0.4
55.01872	1.5
57.03427	1.0
58.61808	0.4
61.02911	2.1
69.03419	4.4
69.42885	1.3
69.43279	0.7
71.04991	0.6
79.05470	0.8
80.79348	0.5
81.03430	2.2
81.07052	0.9
83.01329	1.8
85.02906	15.8
91.03942	0.7
91.05476	5.1
93.03413	1.5
93.42381	0.5
97.02882	4.1
98.22693	0.9
99.04439	1.2
105.16105	0.5
109.02861	1.1
109.06521	1.1
115.05473	0.7
116.06206	1.0
117.06989	0.8
119.08561	1.8
121.06480	1.3
123.04450	0.6
123.92453	0.4
125.05989	1.1
127.03919	2.8
129.07002	8.8
131.08565	4.7
133.06430	2.4
137.05984	3.5
139.03883	0.6
140.04637	0.7
141.07040	0.5
144.05608	0.7
145.04961	3.6
147.08052	10.8
149.09610	3.3
151.07533	1.7
153.05482	3.6
157.06483	5.6
159.08055	49.4
160.05130	0.9
160.08420	1.5
161.05975	27.4
162.06357	0.5
163.06007	2.0
165.05457	1.1
165.09099	5.2
175.07549	16.2
176.07996	0.5
177.05469	59.0
177.09079	20.6
178.05835	1.4
178.09439	0.9
179.07025	21.7
190.28799	0.5
193.08600	27.3
194.08910	0.7
203.07011	2.4
221.08078	53.2
222.08499	1.6
239.09135	100.0
240.09380	2.4
249.17650	0.5
257.10208	32.3
258.10696	1.0
276.90085	0.5
279.49506	0.5
299.92764	0.5
319.92252	0.4
374.46310	0.4
440.78174	0.6
440.84125	0.5
560.67670	0.5
579.98834	0.6
621.69904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17423	0.5
55.01865	1.3
55.99995	0.5
57.03436	0.8
57.31588	0.6
60.40137	0.5
61.02931	0.8
68.99782	0.6
69.03432	3.7
71.04972	0.8
75.51128	0.6
79.05499	1.0
81.03407	1.8
81.07036	1.0
83.01324	1.5
85.02901	14.0
91.05470	4.1
93.03413	2.1
95.04964	0.7
96.46899	0.6
97.02888	3.2
99.04416	0.8
105.06995	1.3
109.02898	0.7
109.06503	3.0
111.04446	1.0
115.05455	2.8
116.06223	0.9
117.06992	0.9
119.04926	1.3
121.06470	1.5
123.04395	1.7
125.05975	1.9
127.03902	2.5
129.06993	5.4
131.08559	4.1
131.44696	0.7
133.06473	8.9
137.05992	3.0
139.03909	5.9
145.04958	4.8
145.06429	4.3
147.04391	4.6
147.08034	6.1
149.06065	0.6
149.09610	1.6
151.03883	0.8
151.07512	2.4
153.05447	4.9
157.06483	3.6
159.04396	0.7
159.08047	27.3
160.05168	0.8
161.05971	32.6
162.06296	0.7
163.03891	12.2
163.05991	1.2
163.07549	1.0
165.05486	5.0
165.09099	2.7
169.04961	1.4
175.07513	9.9
177.05461	38.9
177.09076	13.0
178.05821	0.9
179.07025	47.9
180.07283	1.1
189.05441	0.9
189.13910	0.7
193.04857	0.7
193.08594	17.6
195.06519	1.2
203.07071	2.1
207.06503	33.2
208.07013	0.8
208.97589	0.9
221.08067	32.7
222.08296	0.8
225.07616	4.6
237.07510	0.8
239.09126	100.0
240.09489	2.6
257.10184	30.6
258.10583	1.2
306.34442	0.7
308.57352	0.6
328.30551	0.7
365.12228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
52.96309	0.4
53.03950	0.5
55.01857	2.8
57.03426	1.1
58.75016	0.4
61.02914	1.4
68.70365	0.5
68.99800	0.6
69.03436	3.0
69.03738	0.5
69.42654	1.9
74.73309	0.5
79.05458	0.7
81.03409	1.4
81.07056	0.7
85.02911	11.7
91.05473	2.7
91.74208	0.5
93.03403	2.9
93.07027	0.5
97.02901	3.3
105.07014	1.5
107.04941	2.3
109.02909	1.4
115.05459	8.1
117.07011	3.5
119.04965	2.8
121.06502	1.0
123.04451	3.1
127.03927	3.6
133.06491	11.9
133.07495	0.6
135.04457	0.7
135.08029	2.2
137.05939	0.7
139.03905	3.6
141.05460	0.9
143.04895	5.3
145.04996	3.7
145.06482	33.6
146.06828	0.7
147.04407	20.8
147.08034	1.5
149.05975	0.7
149.09639	5.5
151.03899	2.1
151.07535	1.1
153.05432	2.4
161.05977	22.7
163.03911	3.1
163.06172	1.1
163.07539	10.9
165.05453	0.7
165.09143	1.2
169.04965	2.6
175.07535	2.3
177.05472	43.2
177.09082	21.2
178.05922	1.0
178.09430	0.7
179.07022	20.2
180.08701	1.2
189.05432	2.5
193.08595	20.4
195.06508	1.8
203.07063	1.2
207.06537	3.9
210.10817	0.5
221.08081	38.1
225.07585	13.5
239.09137	100.0
240.09485	2.1
243.08592	0.6
257.10184	12.4
628.54755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03412	0.9
61.02900	1.8
69.03432	3.6
76.14465	0.7
76.53459	0.7
78.04724	0.9
79.05480	4.0
81.02962	1.2
81.03416	16.1
81.07043	2.5
85.02902	14.8
87.00811	1.0
91.03931	1.2
91.05479	2.3
93.07050	1.3
95.04941	1.8
95.71967	0.7
97.02869	4.7
99.04457	1.4
103.05457	0.8
105.01856	1.9
105.07014	3.0
107.04955	10.7
107.08585	1.8
107.73753	0.8
108.08854	0.7
109.02887	1.7
115.05441	5.9
117.07015	12.6
121.06496	1.0
121.10128	1.8
123.04408	3.7
124.05233	2.1
127.03922	4.5
128.06178	1.6
129.06972	2.9
131.04887	1.9
131.08549	3.2
132.05632	0.8
133.06490	1.7
135.11649	0.9
137.05972	1.0
141.06947	1.8
141.30176	0.7
144.05708	2.5
145.04994	3.1
145.06480	32.3
145.10086	0.9
147.08083	1.3
151.03883	1.6
152.04671	0.7
153.12714	1.2
155.03406	5.7
155.04604	0.9
155.06006	5.6
156.05695	5.1
157.06497	2.3
159.08038	6.5
161.05991	5.0
162.07617	1.0
163.11208	2.1
167.07036	49.8
169.07698	0.9
173.05981	61.2
174.06474	1.2
175.07561	1.9
177.05446	1.5
179.00760	0.8
180.08707	4.4
181.04941	1.3
183.06587	1.0
184.05141	2.2
187.07545	6.1
190.06241	32.7
191.07001	3.5
193.08603	2.5
195.06447	0.8
202.06218	4.1
203.07016	7.3
203.08681	0.9
205.08594	100.0
206.08954	2.2
207.06541	1.8
210.37976	0.7
215.06966	1.1
217.08589	40.3
218.09038	1.7
219.08122	1.4
219.10170	4.7
223.09666	2.2
231.08167	0.9
235.07310	1.6
235.09628	28.1
239.12791	1.1
247.07529	1.6
247.09663	7.0
248.08264	1.2
249.05765	0.7
257.13794	4.2
261.09171	0.8
263.10727	1.3
265.10712	36.0
269.08124	1.3
271.09610	1.7
277.08716	0.9
279.10101	1.0
283.15421	1.4
290.09412	1.0
291.09985	1.1
293.08026	1.5
299.09048	0.9
307.09570	1.7
308.10474	0.8
315.08643	4.8
316.09354	0.8
323.12613	2.0
330.10870	7.6
331.11829	2.3
337.10870	0.8
339.12201	2.3
351.12338	4.0
368.12595	1.4
369.13242	1.5
371.14886	2.7
383.14938	11.2
385.08865	0.8
387.16364	3.3
397.37723	0.7
401.15985	17.4
598.25702	1.0
599.26276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53790	0.7
53.03945	2.8
55.01878	3.3
55.05513	1.7
56.86666	0.7
57.03432	3.1
59.04990	1.6
61.02925	2.8
67.05502	2.0
68.99794	0.9
69.03426	16.8
69.07080	1.6
71.04989	15.1
71.45100	0.7
73.02922	2.4
73.06560	3.5
79.05485	5.4
81.03410	14.2
81.07056	19.2
85.02904	48.9
86.03252	0.8
87.00831	23.0
87.04538	0.8
91.05502	2.2
93.07044	12.9
95.04980	1.4
95.08598	2.7
97.02889	22.4
97.03490	1.3
97.06544	1.6
99.04456	8.3
105.01864	44.5
105.07034	3.0
107.08587	11.4
109.02876	18.4
109.10128	1.9
119.08570	1.6
121.06530	1.1
121.10151	1.9
127.03911	43.3
129.01819	1.5
135.08092	1.4
135.11687	21.7
145.04956	19.3
145.10133	3.0
147.02866	2.2
151.03885	1.9
153.12738	100.0
154.13118	1.1
155.13234	0.9
159.02866	6.5
161.05989	1.0
163.06018	0.7
163.11223	4.8
167.07170	0.9
168.73581	0.8
177.08974	1.0
181.04919	1.6
189.03929	1.6
191.10658	3.8
204.38853	0.8
209.11691	1.9
213.03940	7.5
231.04985	21.3
232.04991	0.7
234.08368	0.9
249.06032	12.4
253.07108	1.9
265.14398	1.1
271.08133	2.8
283.15375	6.0
357.08035	1.5
375.09344	1.3
387.16489	7.7
393.10236	2.8
401.16058	2.8
405.17194	0.8
411.10953	1.0
598.24426	1.5
599.26642	12.1
601.57843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
54.48854	0.7
55.01881	5.1
55.05503	0.9
57.03437	9.0
59.05000	1.2
61.02921	4.7
62.31158	0.7
67.05508	1.8
69.03427	17.8
71.01347	1.9
73.02910	22.0
76.35596	0.8
79.05477	2.8
81.03403	3.8
81.07051	80.3
83.04971	1.5
85.02898	36.0
87.00823	1.1
87.04485	1.8
93.07037	0.8
95.08595	6.3
97.02889	24.2
98.23515	1.6
99.04457	2.1
103.03938	2.4
105.01897	4.2
107.04978	0.8
109.02872	2.7
109.10119	0.9
111.04468	1.1
115.03932	14.4
127.03915	13.6
129.05087	0.7
133.04965	21.9
137.13246	100.0
138.13564	1.9
139.03906	1.8
145.04958	14.8
157.05019	1.4
163.05997	9.0
169.04962	1.4
199.06174	1.2
211.05930	3.5
217.07037	0.9
223.05984	2.1
229.07065	5.4
241.07031	2.0
247.08080	5.7
259.08148	8.0
265.09158	11.9
277.09183	2.7
295.10254	13.0
317.19598	9.8
381.06808	0.9
383.16013	0.8
598.25293	4.5
599.26624	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	598.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01872	8.7
55.05513	49.7
57.03441	19.7
57.07076	2.0
59.05008	6.3
59.75887	1.1
61.02915	6.0
61.63834	1.2
65.03937	2.3
66.75042	1.3
67.05505	100.0
69.03428	5.5
69.07064	11.9
69.88284	3.6
71.01361	2.2
71.04999	5.7
73.02917	2.6
75.04484	1.8
76.43201	1.1
79.05496	21.9
81.03412	12.9
81.07057	26.9
83.01350	1.8
83.04981	12.6
83.08621	23.1
85.02901	25.9
85.06560	4.4
87.04467	9.6
91.03938	1.7
91.05489	13.0
93.07042	14.5
95.04977	7.4
95.08614	15.2
97.02913	9.1
97.06524	3.9
97.10170	36.5
98.23401	1.6
103.03935	12.7
105.07046	5.5
107.04952	6.2
107.08591	17.9
109.06525	2.6
109.10154	76.2
111.04453	5.1
111.08089	3.8
117.07030	4.2
119.08589	9.3
121.10146	5.0
123.08091	1.5
125.08709	2.3
125.09629	46.0
126.10106	1.2
127.03947	2.2
131.08563	3.1
135.11702	8.4
137.09616	4.1
143.10684	8.3
145.10175	5.1
147.08051	2.7
153.12738	10.5
155.10641	10.8
163.11182	15.5
164.16238	1.3
173.04509	1.5
173.09583	2.3
173.11739	38.8
181.12218	8.4
189.11154	2.7
191.10704	5.1
199.13260	10.4
209.11734	12.7
212.53154	1.2
217.14308	6.8
227.12761	17.9
229.14343	81.7
242.62831	1.3
245.13869	4.4
257.13840	19.4
283.15399	18.3
301.13034	2.7
301.16446	48.0
319.17471	13.9
401.25357	2.6
421.82883	1.2
599.22308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69292	2.4
53.03959	2.2
55.01884	7.6
55.05253	4.3
55.05512	52.0
55.25832	2.3
57.03437	19.8
57.07076	3.3
59.05001	6.3
61.02930	5.4
65.03915	2.5
67.05503	100.0
69.03437	4.9
69.07080	7.3
69.50069	8.4
71.01350	3.0
71.05004	7.4
73.02918	3.9
75.04482	2.7
79.05500	24.9
81.03418	13.0
81.07058	37.5
83.04979	14.2
83.08619	22.7
85.02901	28.5
87.04480	12.7
91.03961	2.5
91.05466	15.5
93.07035	13.3
95.04996	6.6
95.08614	14.1
97.02896	8.3
97.06553	5.6
97.10171	37.3
103.03945	8.8
105.07050	4.9
107.04959	6.7
107.08591	20.9
109.06573	2.8
109.10156	87.2
111.04433	3.4
111.08121	3.9
117.07068	3.5
119.08593	9.4
121.10168	3.9
125.09636	43.0
131.08601	3.0
135.04329	2.2
135.11681	10.3
137.05992	3.1
137.09666	3.2
143.10687	9.2
145.10136	9.1
147.08051	3.2
149.09567	3.3
153.12721	12.1
155.10684	11.3
163.11189	18.2
173.09521	4.2
173.10254	3.4
173.11731	42.8
181.12238	7.9
189.11314	3.6
191.10655	8.1
199.13306	15.5
209.11688	15.9
217.14442	6.3
227.12766	17.6
229.14351	78.5
245.13980	3.6
257.13840	49.6
283.15399	20.3
301.16455	48.7
319.17575	10.1
328.93414	2.6
409.24799	2.2
541.53174	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	599.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
55.01865	1.0
57.03432	0.9
63.83525	0.3
65.75695	0.3
66.12148	0.3
69.03423	0.6
69.24142	1.7
73.02903	0.4
77.03927	0.8
79.05489	1.2
81.03420	0.6
85.02911	2.4
95.01319	0.8
95.04961	1.5
97.02884	1.2
103.03929	0.7
105.04494	0.6
105.06963	0.4
107.04951	100.0
108.05283	1.3
109.02879	0.9
119.04893	0.3
121.02856	2.8
121.06441	0.9
129.07048	0.5
131.04921	1.4
131.08583	0.4
133.06500	0.5
135.04391	0.6
137.05977	0.6
139.03870	0.8
145.06467	0.7
147.04420	1.3
149.02316	0.4
149.05963	0.9
151.03914	1.0
159.04407	0.6
159.08081	0.6
161.05997	0.9
163.03889	2.0
171.04437	0.9
173.05978	1.3
175.03899	3.0
177.05461	1.5
179.03314	0.6
181.04993	2.0
185.05945	0.6
187.03918	1.7
187.07480	0.8
189.05446	1.7
189.06952	0.3
189.09125	0.4
191.03397	0.9
191.07024	0.6
193.05006	2.8
195.02962	0.4
197.05893	0.5
199.03891	0.8
199.07539	0.6
201.05432	1.4
203.03400	0.4
203.06927	0.6
204.07909	0.4
205.04951	5.9
213.05464	0.8
215.03447	0.4
215.06976	0.4
217.04979	5.2
217.08519	0.5
219.02892	1.1
219.06541	1.5
221.04472	1.6
223.05913	2.0
225.05492	0.8
227.06993	0.7
229.04930	2.3
231.06453	1.9
233.04390	0.6
235.06001	3.3
239.06914	0.5
241.05029	1.1
243.06566	1.2
245.04663	0.4
245.08067	0.7
247.05965	5.1
249.07358	0.4
249.11201	4.3
253.04865	0.7
255.06538	1.0
259.06033	7.0
267.06485	0.5
269.08020	0.5
271.06015	3.4
273.07639	1.2
277.07101	1.4
279.06561	0.8
283.05984	1.8
285.07556	0.9
287.05508	0.4
287.09094	0.9
289.06870	2.7
297.07538	1.2
299.05942	0.4
299.09052	1.5
301.07086	3.7
311.05841	0.5
311.09186	1.5
313.07056	2.7
317.10187	1.0
319.08212	0.7
324.12985	0.6
325.07028	2.0
327.08582	0.8
329.10220	3.0
341.10178	3.3
343.08154	1.0
353.10257	4.8
355.08270	0.6
359.11047	0.6
365.10178	4.4
377.10120	2.1
383.11276	6.0
389.10110	1.0
395.11224	6.6
401.12289	1.0
407.11237	6.3
408.11304	0.5
413.12262	2.7
419.11145	4.8
425.12155	3.3
431.13477	9.2
437.12305	0.4
443.13464	2.6
449.12238	5.2
461.13889	3.5
467.13354	3.2
473.12366	0.9
479.13364	3.1
485.14459	2.9
491.13467	2.0
497.14362	5.8
509.14386	2.8
527.15802	2.3
545.16266	1.7
563.17462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75303	0.3
57.03436	0.4
59.05003	0.7
66.89203	0.3
67.05506	1.5
67.10439	0.4
69.07085	0.4
69.61613	0.9
71.04982	1.4
79.05506	1.7
81.03402	1.4
81.07064	1.9
83.04993	0.5
83.08681	0.3
91.05480	2.0
93.07050	1.3
95.04994	0.4
95.08614	0.9
97.06570	0.3
105.07037	1.1
107.08624	0.9
109.06507	0.5
119.08615	0.7
121.10152	1.1
129.07034	0.8
131.08569	1.1
133.10141	0.6
147.11676	0.7
149.09596	1.8
152.15306	0.3
157.10185	0.9
175.11246	0.6
193.12277	1.0
208.08417	0.3
224.13000	0.4
225.14911	0.6
233.11551	0.7
267.15976	0.9
283.15152	15.3
284.15579	0.4
339.17786	9.5
386.23221	0.4
394.69965	0.4
581.33075	0.5
599.34009	100.0
600.34229	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	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.05516	4.0
57.07079	8.2
59.04980	2.6
67.05509	8.9
69.03429	7.2
69.07063	3.5
69.52770	2.5
79.05495	7.0
81.07059	11.5
83.04947	2.8
83.08608	1.7
85.06547	3.8
85.06964	0.9
86.43065	0.6
87.59107	0.7
91.05476	14.5
93.06459	1.1
93.07045	20.6
95.04983	6.8
95.08611	11.5
97.06492	2.6
103.05448	1.3
105.04520	0.9
105.07029	23.4
107.04941	1.0
107.07935	0.9
107.08599	13.1
109.06522	6.0
109.10155	4.7
111.08074	1.4
112.27836	0.7
115.05436	1.2
117.07018	5.7
119.04916	0.9
119.07759	1.5
119.08579	23.9
121.06493	4.7
121.09299	0.7
121.10156	12.5
122.07274	1.0
123.07259	1.1
123.08075	13.0
125.05970	2.8
128.06224	2.8
129.06987	5.3
130.07758	1.6
131.07663	0.9
131.08571	11.1
133.06448	2.5
133.10129	12.4
135.08067	11.5
135.11685	4.4
137.09628	13.7
139.07477	1.9
141.06978	1.4
142.07745	5.8
143.08559	10.3
143.18546	0.8
144.09309	2.1
145.06462	1.4
145.10126	16.8
147.08041	24.9
147.11665	3.8
149.09602	3.1
151.07542	9.5
153.07008	0.9
154.07706	1.0
155.08577	5.1
156.09372	5.0
157.10132	18.1
158.10847	1.2
159.08049	2.2
159.11722	9.8
160.08871	0.9
161.09618	6.0
161.13252	6.4
163.11197	8.5
165.06894	1.3
165.09120	49.4
166.09489	1.4
167.08528	2.0
167.10625	1.1
168.09341	2.7
169.10144	6.5
170.10899	3.2
171.08067	0.8
171.10320	0.9
171.11703	7.7
172.08836	0.8
172.12422	1.0
173.09557	3.2
173.13213	3.6
175.11156	2.8
175.14755	2.7
177.09122	1.9
177.12689	1.3
178.07831	0.7
179.08583	1.8
180.09273	1.3
181.10132	3.4
181.12213	5.9
182.10857	2.0
183.11697	10.0
184.08833	0.9
185.09624	1.1
185.13245	7.6
187.11201	2.2
187.14835	1.9
189.12759	4.1
191.10655	3.0
191.14297	1.5
192.09357	1.2
193.10098	1.8
193.12236	1.2
194.10861	1.8
195.11671	4.5
195.13518	1.3
196.12520	1.7
197.13206	5.7
198.10321	0.8
199.11143	2.1
199.14816	1.8
201.12733	2.0
203.14294	17.7
206.11031	0.9
207.11687	2.2
207.13785	5.5
209.13206	4.9
209.15167	1.3
211.11212	1.8
211.14835	4.7
213.12772	1.8
213.16508	0.8
215.10733	0.8
215.14226	1.6
217.12198	0.8
219.13835	1.2
220.12430	1.0
221.15363	100.0
222.13799	0.8
222.15712	1.7
223.11261	0.9
223.14835	1.1
224.12019	0.9
225.12714	2.3
225.16447	1.6
227.14333	1.7
227.17998	1.0
229.12061	1.1
229.15910	1.3
231.13806	2.2
233.13287	1.4
233.15309	1.6
234.13916	0.9
235.14816	1.7
235.16890	1.0
237.12762	1.1
237.16441	1.3
239.14365	1.6
243.13834	1.0
244.20953	0.7
245.13187	0.8
247.14841	0.8
247.16920	15.6
249.16446	0.8
251.14325	0.9
257.13214	0.8
257.15540	0.8
263.17761	0.9
265.15790	0.7
266.15674	0.7
269.19089	1.3
280.80820	0.7
281.18811	1.7
283.17004	0.7
286.19278	1.2
287.20087	6.7
291.17480	0.7
295.20685	1.0
299.20068	6.3
301.21542	1.6
305.18808	0.9
307.20422	0.8
311.20059	1.3
313.21725	1.8
323.20013	0.8
325.21634	1.7
327.23285	2.7
328.23071	0.7
335.19800	0.7
337.27499	1.5
338.27625	0.9
339.27972	2.3
365.24707	4.3
391.26273	9.0
413.26578	1.3
419.29684	3.3
427.28522	6.2
453.30038	1.6
507.34747	8.9
519.34631	3.0
581.39899	2.1
599.11603	8.4
599.40948	74.1
600.11780	1.2
600.40955	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90590	1.1
53.53880	1.2
54.04166	1.0
55.05520	6.4
55.05742	1.3
57.07067	6.6
59.05001	3.3
64.79491	1.1
65.03938	2.0
67.05502	12.0
69.03427	8.8
69.07069	7.5
69.08302	6.5
71.00422	1.0
79.05491	13.3
81.07044	14.9
83.04990	7.5
83.08621	3.0
83.63969	1.0
85.02892	1.4
85.06531	4.6
91.05475	19.5
93.07035	22.8
95.04976	12.0
95.08595	14.0
97.06535	5.3
98.22718	2.9
103.05445	2.3
105.06342	2.6
105.07023	34.3
107.04992	1.8
107.08586	24.7
109.06509	8.9
109.10161	8.9
115.05455	2.7
117.07010	7.9
119.08572	30.0
121.06490	8.0
121.10138	25.9
123.08067	10.4
123.11720	2.5
125.05991	3.2
125.09638	3.9
128.06197	6.3
129.06976	10.0
130.07753	3.1
130.82060	1.0
131.08553	15.8
133.06509	2.3
133.10130	20.8
135.08064	12.7
135.11678	5.2
137.05963	1.5
137.09604	7.3
139.11121	1.3
141.06961	4.2
142.07759	9.5
143.08553	18.8
144.09335	6.5
145.06540	1.6
145.10110	23.8
145.11220	1.5
147.08061	10.9
147.11656	6.3
149.09583	11.5
151.07504	10.0
151.11159	2.7
154.07703	1.7
155.08585	7.4
156.09331	7.1
157.10115	23.6
158.10858	2.8
159.08063	9.7
159.11688	15.3
160.08847	2.7
161.09584	7.6
161.13260	3.4
163.11223	5.0
165.07027	2.6
165.09090	18.7
167.08568	4.0
167.10655	13.2
168.09343	4.0
169.10094	13.2
170.10881	3.1
171.11684	18.3
172.12469	1.8
173.09599	5.9
173.13252	7.5
173.84816	1.2
175.11180	6.0
175.14828	2.8
177.09114	1.4
177.12788	2.1
179.08496	5.4
180.09372	2.2
181.10149	7.0
181.12233	4.3
182.10915	5.3
183.08035	1.6
183.11673	13.5
184.12396	1.8
185.09619	2.7
185.13281	7.7
187.11232	5.0
187.14835	3.0
189.12727	4.6
191.10649	1.3
191.14343	3.1
192.09404	1.6
193.10132	5.8
193.12099	1.0
194.10893	4.0
195.11719	9.6
195.13507	2.0
196.12450	2.2
197.13274	9.3
199.11200	3.9
199.14801	3.0
201.12773	3.6
203.14290	9.0
204.09242	1.3
205.10001	2.5
206.10956	3.7
207.11671	7.3
207.13838	8.4
208.12447	3.4
209.13280	7.7
209.15309	2.5
210.10315	1.6
210.13962	2.0
211.11226	2.5
211.14824	3.9
213.12758	3.5
214.13721	1.5
215.14368	4.3
217.15892	1.7
219.11797	2.6
220.12555	1.9
221.13271	7.4
221.15393	33.1
222.13860	1.6
223.11263	1.6
223.14861	7.2
225.12723	3.2
225.16411	4.2
226.08508	1.2
227.14250	2.1
229.10167	1.3
229.12224	2.0
231.11740	1.3
231.13841	1.9
232.12494	1.4
233.13203	3.6
233.15320	26.4
233.17622	1.7
235.14818	5.4
237.12723	1.8
237.16605	2.3
239.14244	2.2
239.17860	1.3
241.15938	1.6
245.13278	3.0
247.14803	4.3
247.17049	2.2
248.15598	1.9
249.16356	2.8
251.14368	1.4
253.15919	1.8
257.18997	2.1
259.14697	2.0
260.15564	1.9
261.16296	2.2
263.17874	1.3
267.17328	1.5
269.19098	1.5
272.15601	1.5
281.19019	7.6
286.19379	2.9
287.20197	3.1
293.18881	1.3
299.20126	3.3
311.20056	2.4
312.20917	1.7
325.21652	1.8
355.24023	1.3
364.24100	3.5
365.24847	3.2
373.25485	1.7
377.24774	2.8
380.13486	1.2
391.26337	2.3
401.27176	1.2
415.28491	2.0
441.29880	2.9
489.33633	2.2
493.32629	1.5
495.29001	1.4
499.49506	1.3
507.34708	69.9
508.35059	2.2
520.35681	1.3
581.40118	5.1
599.31848	11.9
599.40820	100.0
600.41223	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27161	0.7
55.01869	2.3
57.03442	1.2
61.02919	1.7
67.05497	1.1
69.03439	3.4
79.05495	1.5
81.03421	1.7
85.02906	14.0
88.83189	0.7
91.03925	1.2
93.03403	2.3
93.07023	1.5
95.04971	2.0
97.02890	3.6
99.04452	0.9
101.06043	0.8
103.05475	1.5
105.07007	1.0
107.04946	2.5
109.02862	1.0
117.03407	0.8
121.06506	2.8
123.04460	1.0
124.03948	1.7
125.05956	1.3
127.03923	2.9
131.04932	19.3
133.02739	0.7
135.04463	1.6
136.06142	0.7
137.05962	1.4
139.03873	1.7
143.03362	1.1
145.04942	3.2
147.04297	0.7
149.05975	7.8
151.03917	2.6
153.05495	0.8
155.03401	3.4
159.04419	55.6
160.04750	0.9
161.05980	1.3
163.03914	16.3
167.07045	2.5
171.02841	4.0
177.05476	63.8
178.05757	0.8
179.03397	50.6
179.06912	4.3
180.03780	1.1
180.08710	0.8
181.04953	14.4
185.45316	0.8
185.56705	0.7
194.72266	0.7
195.02881	1.3
195.06551	9.4
197.04453	10.5
205.04974	3.1
223.06017	30.4
233.57927	0.7
241.07072	63.0
259.08133	100.0
276.07455	1.4
286.56793	1.0
408.81879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75611	0.3
69.20137	2.0
85.02914	0.6
86.71693	0.3
91.05457	1.2
105.07035	0.4
107.04950	0.8
111.67414	0.4
114.65925	0.3
115.05437	0.8
117.06966	0.4
128.06215	1.6
129.07008	3.4
130.07750	0.4
131.08556	4.1
133.06474	0.5
141.06985	1.3
143.08511	1.1
144.05678	1.8
145.06488	1.1
146.07310	0.6
147.07986	0.4
153.06938	0.6
155.06009	0.4
157.06482	2.0
159.08049	8.1
161.05949	0.5
161.09610	2.0
167.07054	0.7
169.06403	0.6
169.07681	1.0
170.07263	1.0
171.08075	1.7
172.05229	0.5
173.05962	1.1
174.06664	0.6
175.07500	0.8
187.07538	7.2
188.08191	0.6
189.09073	3.8
192.07848	0.3
195.59120	0.4
198.06863	0.9
199.07544	0.9
201.09036	0.6
203.07005	0.9
204.07829	4.6
205.08504	0.6
206.09430	0.4
216.07753	1.4
218.09341	0.7
219.10115	2.4
221.11699	1.3
231.10136	2.5
233.11752	0.8
234.08911	0.5
237.11255	0.8
249.11212	100.0
250.11560	2.9
251.12761	2.3
267.12259	5.6
278.96115	0.3
293.80774	0.4
327.99036	0.4
595.20215	0.4
600.26831	0.9
601.22083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.4
69.03427	0.7
69.21980	1.3
69.22389	0.6
81.37460	0.4
85.02903	2.1
89.27222	0.3
91.05479	1.0
97.02901	0.9
100.23774	0.3
105.07011	0.7
107.04955	6.4
108.05302	1.7
115.05428	0.9
117.07029	0.6
128.06218	1.7
129.07016	4.6
131.04927	0.5
131.07643	0.6
131.08572	6.2
133.06534	0.6
133.10092	0.6
141.06964	1.5
142.07779	0.4
143.08571	1.1
144.05652	2.2
145.06467	1.6
146.07259	0.9
151.03871	0.4
153.07018	0.8
155.06009	0.4
157.06494	3.1
158.07245	0.5
159.06741	0.6
159.08064	11.5
161.05945	0.6
161.09598	3.3
162.07652	0.5
167.07037	1.8
169.06364	0.4
169.07587	1.2
170.07262	1.9
171.08043	2.3
172.05185	1.2
173.05986	1.5
174.06738	0.8
175.07634	0.8
178.06229	0.3
180.08670	0.7
185.05975	0.4
187.07553	9.5
188.08208	0.5
189.05528	0.5
189.09114	4.4
190.06230	0.3
191.07106	0.5
192.07806	0.3
193.08638	0.4
198.06731	0.8
199.07536	1.3
203.07098	1.7
204.07816	5.3
205.08510	0.6
206.09425	0.5
207.09978	0.4
216.07883	1.2
217.08673	0.6
218.09373	0.6
219.10136	2.5
221.08162	0.5
221.11784	1.7
231.10150	2.9
237.11197	0.8
249.11223	100.0
250.11520	1.9
263.51892	0.3
267.12357	1.6
311.65277	0.4
384.11469	0.4
396.11752	0.4
415.09750	0.3
420.11264	0.5
425.11517	0.4
432.13641	0.5
444.07886	0.3
444.14285	0.4
468.13962	0.4
468.99527	0.3
490.76212	0.4
573.06366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11437	0.2
61.02921	0.2
65.50989	0.2
67.08644	0.2
69.03418	0.6
69.79759	0.6
72.65931	0.2
77.25767	0.2
84.14316	0.2
85.02908	1.7
91.05463	0.7
91.72206	0.2
97.02885	0.5
103.05437	0.2
105.07068	0.3
107.04978	0.3
115.05443	0.6
116.06229	0.3
127.03918	0.2
128.06168	1.2
129.07014	4.2
130.25015	0.2
131.04939	0.2
131.08566	5.2
133.06497	0.4
133.10115	0.3
141.06973	1.6
142.07753	0.4
143.08546	1.1
144.05693	1.8
145.05374	0.2
145.06467	1.6
146.07265	0.9
147.04387	0.3
153.06970	0.4
155.06038	0.3
157.06482	2.5
158.07248	0.5
159.08054	9.6
161.05986	0.4
161.09615	2.1
162.07574	0.3
165.08218	0.2
167.07033	0.6
169.06371	0.4
169.07619	1.0
170.07266	1.7
171.08073	1.9
172.05171	0.9
173.05966	1.3
174.06721	0.5
175.07545	0.7
178.06262	0.3
180.08746	0.3
186.06824	0.2
187.07544	7.3
188.08195	0.5
189.05411	0.4
189.09113	2.7
190.06210	0.3
191.07088	0.3
192.07870	0.4
193.08504	0.3
197.89687	0.2
198.06737	0.6
199.07455	1.2
201.05573	0.3
203.07008	1.4
204.07817	4.1
205.08527	0.7
206.09293	0.3
209.86647	0.2
216.07800	1.3
217.08514	0.5
218.09332	0.3
219.10155	2.1
221.08046	0.5
221.11650	1.2
231.10175	2.9
234.08966	0.5
237.11308	1.0
249.11215	100.0
250.11584	2.3
267.12292	4.6
276.90952	0.2
296.72604	0.2
352.29211	0.2
461.17554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10514	0.2
58.36623	0.2
65.39705	0.2
65.80745	0.2
65.96188	0.3
67.05486	0.3
69.03423	0.5
69.39767	0.9
69.40177	0.6
72.61343	0.2
79.52016	0.2
81.03403	0.5
85.02895	1.4
91.05489	1.3
97.02867	0.6
98.23414	0.5
105.07030	0.6
107.04950	0.7
109.42010	0.3
115.05406	0.3
116.06227	0.4
117.06992	0.6
119.04916	0.3
121.06467	0.3
127.03950	0.4
128.06198	1.3
129.07004	4.1
131.04877	0.4
131.08560	5.1
132.05678	0.5
133.06496	0.8
133.10135	0.5
137.05995	0.7
139.03894	1.0
141.06982	1.3
142.07814	0.3
143.08557	1.1
144.05711	1.5
145.06519	1.8
146.07243	0.6
147.04405	0.6
147.08092	0.4
151.03850	0.3
153.05533	0.3
153.06984	0.4
155.06068	0.3
157.06500	2.6
158.07265	0.9
159.08057	9.7
160.05182	0.3
161.06017	0.9
161.09619	2.5
163.03960	0.6
167.07021	0.6
169.06375	0.5
169.07619	1.0
170.07214	1.7
171.08041	2.1
172.05222	0.8
173.05981	1.2
173.09595	0.3
174.06755	1.1
175.07524	1.1
177.05490	0.5
178.06248	0.4
179.06956	0.5
184.05070	0.3
187.07550	7.8
188.08267	0.3
189.05548	0.5
189.09103	3.3
190.06293	0.5
192.07692	0.5
193.08614	0.4
198.06741	0.7
199.07524	1.1
201.05470	0.5
201.09117	1.0
203.07028	1.1
204.07799	4.5
205.08485	0.7
206.09387	0.6
216.07776	1.2
217.08534	0.5
218.09280	0.5
219.10152	2.6
221.08156	0.4
221.11751	1.4
223.05984	2.3
231.10161	3.0
233.09399	0.3
233.11700	4.5
234.08743	0.6
237.11163	0.9
249.11217	100.0
250.11555	2.4
251.12730	0.5
267.12268	4.5
321.57065	0.3
409.02936	0.3
538.83673	0.4
601.18555	0.3
601.27704	0.5
625.31439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75502	0.8
55.01870	1.2
55.05515	4.4
56.05025	1.5
56.65664	0.7
57.26190	0.8
57.98811	0.9
58.99586	16.9
67.05506	10.8
69.03418	1.1
69.07068	5.1
71.76778	0.6
73.01173	0.6
76.02228	72.1
76.04007	2.8
79.05499	6.7
79.80566	0.7
81.03418	1.0
81.07061	10.8
83.04981	3.3
83.06101	1.5
83.08630	1.5
84.04512	13.2
86.99033	3.8
88.02214	1.9
91.05482	7.8
93.07056	8.5
95.04961	2.4
95.08601	6.9
97.06544	1.9
97.10163	1.3
98.22611	1.5
99.05618	1.0
105.07028	10.5
107.04954	3.0
107.08605	5.7
109.06532	5.3
109.10187	4.0
110.24508	0.7
116.01684	21.8
117.07061	2.4
119.08564	4.7
121.06523	4.3
121.10153	3.8
123.08079	2.1
123.11708	1.5
125.09744	0.8
129.06593	1.8
130.05017	5.3
131.08563	4.8
133.06450	1.2
133.10109	7.8
135.08012	1.7
135.11708	3.0
137.09604	1.1
142.03201	7.6
143.08585	1.7
144.01137	13.1
144.09134	0.9
145.10112	5.2
147.08029	1.7
147.11678	4.9
149.09633	2.4
149.13324	1.4
151.11201	2.7
155.08536	0.9
157.10165	1.7
159.11688	3.3
161.09624	1.6
161.13274	1.7
162.02208	39.7
163.11211	2.6
169.10080	0.8
170.02748	2.5
171.11751	1.4
173.13313	1.6
175.11224	1.3
177.12798	1.2
179.04854	100.0
180.05167	0.8
183.11662	0.8
185.13399	0.8
187.05391	3.1
187.11180	1.2
191.14297	1.6
197.13394	1.2
199.05376	1.0
201.12708	1.7
207.13823	2.8
215.04797	1.4
215.14352	1.2
219.13876	1.0
227.39140	0.7
233.05936	11.7
233.18993	0.8
239.17912	1.7
245.05934	3.5
247.20580	1.1
257.19067	5.6
273.18521	2.7
275.20059	31.2
276.20309	1.4
291.06461	2.2
291.19617	2.4
293.21057	21.1
308.09088	29.7
309.09085	1.3
344.79202	0.8
368.22577	9.4
378.20999	1.0
415.36316	0.8
453.24081	5.3
471.25024	2.9
525.26398	3.7
582.28265	1.5
600.29547	13.0
601.30695	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01870	3.3
55.05504	11.0
57.07077	12.5
59.05009	4.3
59.77245	2.1
65.03941	2.4
67.05505	23.1
69.03426	14.8
69.07059	13.4
70.49930	1.9
77.03928	3.2
79.05492	22.6
81.03436	5.5
81.07059	31.5
83.04992	15.5
83.08621	6.6
85.06534	3.7
88.82877	2.3
89.06026	2.7
91.05476	33.6
93.07043	56.7
93.07601	3.9
95.04967	26.6
95.08609	36.3
96.27139	2.6
97.06547	7.9
100.43366	2.0
102.56816	2.4
105.04513	4.1
105.07034	67.8
106.07842	2.8
107.04982	3.9
107.08590	46.8
107.09264	3.8
109.06530	20.1
109.10165	21.6
111.08039	3.6
115.05476	5.3
117.07016	16.1
118.58311	2.2
119.04921	4.1
119.08578	62.1
121.06506	12.7
121.10139	42.7
121.10985	3.0
123.08080	25.5
123.11715	6.7
125.06022	6.0
125.09676	3.8
128.06245	9.5
129.07004	19.7
130.07797	5.1
131.08569	32.7
132.09286	2.8
133.06514	8.0
133.10129	42.2
135.08061	24.1
135.11670	13.4
136.08467	2.0
137.06013	2.7
137.09631	16.5
139.11197	4.2
141.07030	4.2
142.07785	22.7
143.08565	47.4
144.09369	11.1
145.06514	5.6
145.10127	57.5
146.07234	2.7
147.08031	34.0
147.11668	12.4
149.09616	18.1
151.07536	17.1
151.11192	4.7
154.07875	3.8
155.08568	14.8
156.09340	14.9
157.10127	70.4
158.10901	10.0
159.08047	11.7
159.11684	38.5
160.08829	10.5
160.12257	2.2
161.09637	21.5
161.13269	7.3
162.10405	3.6
163.11163	15.7
165.06989	6.1
165.09109	47.3
166.07840	2.4
167.08632	5.4
167.10667	13.1
168.09413	4.5
169.10121	19.2
170.10962	11.0
171.11673	36.6
172.12450	7.4
173.09665	9.6
173.13231	20.9
175.11148	20.9
175.14821	3.8
177.09189	3.9
177.12785	6.2
179.08626	7.1
179.10716	4.8
180.09253	3.7
181.10178	16.2
181.12138	14.8
182.10864	7.4
183.11717	21.6
184.12489	4.2
185.09650	4.3
185.13234	21.7
186.13928	5.4
187.11206	9.4
187.14865	6.4
189.12730	13.6
190.13559	10.3
191.14317	5.8
192.09341	3.8
193.10136	13.2
193.12236	10.6
194.10944	6.2
195.11690	24.8
195.13626	3.9
196.12450	6.7
197.09630	5.4
197.11710	4.6
197.13275	20.8
198.13971	3.1
199.11119	13.4
199.14873	5.2
200.15656	2.5
201.12782	7.0
203.14304	27.7
205.10112	3.4
206.10988	5.0
207.11740	14.6
207.13840	15.4
208.12421	5.8
208.14603	7.7
209.09778	2.5
209.13280	19.1
209.15179	4.6
210.13931	3.3
211.11230	7.5
211.14882	9.0
213.12782	11.1
213.16292	3.1
215.14388	5.2
217.12259	2.8
217.16035	2.7
218.16635	4.5
219.11868	3.7
219.13852	8.9
220.12556	5.9
221.13284	13.5
221.15334	99.0
222.15903	5.3
223.11140	4.6
223.14819	10.6
224.65732	2.6
225.12764	8.2
225.16403	8.5
227.14339	5.3
229.12335	3.2
229.15929	3.6
230.13039	4.3
231.11653	3.8
231.13834	3.6
233.13362	4.6
233.15376	22.1
234.16080	11.1
235.14775	11.9
235.16945	3.9
237.12700	3.6
237.14716	40.3
239.14375	4.2
239.18045	2.8
241.15869	3.4
243.14027	3.9
245.13214	4.2
247.16983	7.4
248.13919	16.5
249.16440	5.9
250.15720	4.0
253.15915	8.2
255.17436	25.4
259.14612	4.0
259.17026	4.8
260.15601	3.0
261.16342	7.8
263.18091	3.9
267.15945	2.5
268.17953	3.4
269.16141	2.9
269.19119	8.2
270.19797	10.1
271.16995	6.1
274.19278	12.2
279.17517	5.3
281.19006	7.6
285.18576	6.1
286.19284	20.3
287.20197	13.6
294.19766	8.3
295.20602	5.2
297.18466	5.3
298.19443	3.0
299.20132	18.2
300.20807	3.7
303.19531	65.1
309.18497	3.1
311.20227	4.4
312.20840	8.1
313.21692	16.3
319.20529	5.5
322.22775	2.6
325.21710	18.1
337.21613	9.1
347.23694	3.8
352.23962	100.0
353.24521	5.1
359.23529	3.7
364.23843	3.4
365.24741	18.4
377.24857	9.2
383.25812	7.2
399.25204	2.8
420.30386	3.6
439.28415	3.9
454.31076	2.8
487.32312	3.0
490.34622	2.4
502.34140	11.5
503.35046	8.0
505.33069	8.9
507.34995	11.5
508.35675	3.3
520.35474	58.2
521.36218	4.5
582.40198	4.6
583.40820	2.5
585.39343	3.9
600.41443	23.9
601.42920	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65288	1.4
53.03951	1.5
55.05512	5.3
56.90615	1.3
57.07072	9.8
59.04996	3.3
59.14035	1.4
67.05511	7.4
69.03423	7.9
69.07056	5.2
70.66286	2.0
77.51437	1.6
79.05493	10.7
80.06292	1.8
81.07059	15.7
83.04992	7.0
85.06549	5.1
89.03537	1.5
91.05471	19.5
93.07043	28.3
94.07358	1.8
95.04961	7.7
95.08610	16.0
97.06499	4.7
102.24957	1.5
105.07035	34.5
106.07835	1.5
107.08592	19.3
109.06508	8.8
109.10136	7.9
111.08066	2.8
113.59152	1.5
117.06998	10.2
119.08578	50.0
121.06493	4.9
121.10136	22.0
123.08071	12.1
123.11668	1.9
125.06001	14.1
128.06245	4.3
129.06995	7.1
131.08546	19.3
132.09369	1.8
133.06497	3.7
133.10132	22.5
135.08052	13.8
135.11705	8.1
137.09630	13.4
137.25484	1.4
139.07523	2.6
141.07076	2.3
142.07755	6.2
143.08542	15.6
144.09354	4.7
145.06519	1.9
145.10112	33.5
147.08052	29.6
147.11691	6.8
149.09625	11.4
151.07516	12.5
152.08163	1.6
155.08575	7.6
156.09338	6.0
157.06558	1.6
157.10120	28.4
158.10870	5.0
159.08078	6.3
159.11694	21.2
160.12440	2.6
161.09604	7.3
161.13239	9.4
163.11156	23.8
164.11687	2.0
165.06976	3.0
165.09113	53.4
166.09433	2.9
167.08508	2.3
168.09381	2.9
169.10107	12.8
170.10857	4.5
171.08191	1.6
171.11700	15.3
172.12488	5.2
173.09615	7.2
173.13220	7.5
175.11179	15.4
175.14868	3.0
177.09106	4.0
177.12741	2.0
178.09915	3.9
179.08516	3.4
180.11360	2.3
181.10127	5.3
181.12222	18.1
182.10905	3.8
183.11694	11.7
184.12283	2.3
185.09610	4.3
185.13240	7.5
186.10504	1.9
187.11160	5.7
187.14819	5.2
189.12724	10.6
190.13528	8.9
191.10669	5.5
191.14308	3.9
193.10167	4.5
193.12250	12.9
194.10931	3.5
195.11687	11.7
195.13490	2.3
196.12428	3.8
197.09583	3.2
197.13240	11.8
198.13969	2.4
199.11191	6.3
199.14771	3.5
200.11876	1.6
201.12674	7.9
203.14311	24.3
204.14713	2.3
207.11897	3.5
207.13690	10.3
208.12723	1.8
208.14520	8.8
209.13272	7.4
209.15140	2.9
210.14017	1.5
211.11253	3.8
211.14818	6.9
212.11995	2.2
213.12801	7.4
213.16341	2.7
215.14334	2.2
216.14998	1.6
217.12263	1.8
219.11925	1.8
219.13707	9.1
221.13383	4.6
221.15347	100.0
222.15724	7.0
223.11139	2.0
223.14886	6.0
224.15616	2.3
225.12857	2.6
225.16232	3.0
227.14261	3.4
229.15915	3.7
231.13739	2.8
233.13287	3.0
233.15379	4.2
234.16197	17.0
235.14832	2.8
237.12752	3.0
237.16458	2.8
239.14276	1.9
239.17834	2.7
241.15945	3.6
247.14613	2.5
247.16940	29.3
248.17535	3.3
249.16289	3.0
253.15854	2.9
259.16974	5.4
260.17807	2.5
263.17859	2.3
265.19345	1.8
267.17676	3.8
269.15320	4.4
271.16995	2.4
272.17630	2.4
274.19327	11.1
279.17264	2.8
281.18945	2.9
285.18582	3.4
286.19122	5.6
287.20059	10.8
291.17529	1.7
297.18475	3.8
299.20041	15.4
300.20758	4.5
300.29001	2.1
307.20541	3.1
310.19360	1.9
311.20029	4.5
312.20834	7.0
313.21518	6.3
325.21616	16.8
326.22327	2.3
327.23154	3.3
337.21536	3.2
339.23160	4.8
340.24036	15.0
346.84790	1.5
351.23499	2.0
352.23996	25.1
353.24582	2.0
365.24704	5.1
366.25409	3.5
373.34439	1.9
377.24796	3.6
379.26224	3.6
387.25522	4.2
391.26395	5.1
392.26965	2.8
400.26016	1.8
402.27988	1.7
413.26834	3.6
419.29636	8.4
420.30399	2.8
425.26743	8.8
426.27463	6.4
427.28436	16.7
428.28873	2.1
440.29208	45.8
441.29593	3.8
442.30624	2.6
454.30676	2.1
507.34735	2.6
508.35251	4.3
520.35547	34.2
521.35687	4.8
583.41290	3.6
585.39087	2.9
587.47327	1.9
600.41522	24.5
600.55511	3.6
601.41931	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.0
57.07067	19.9
59.05000	6.2
65.03937	4.0
67.05508	26.6
69.03114	2.7
69.03425	19.0
69.07060	15.9
70.94572	3.8
77.03932	4.9
79.05481	34.3
81.07050	43.9
83.04974	22.2
83.08605	11.3
85.06568	6.9
89.06033	7.1
91.05476	59.2
93.07044	78.9
94.07358	3.2
95.04979	29.5
95.08601	41.8
97.06543	16.9
103.05485	4.3
103.98698	3.2
105.04504	3.2
105.07030	100.0
106.07829	3.8
107.04971	6.6
107.08588	54.4
109.06531	26.5
109.10158	17.9
111.08108	6.1
111.23976	3.0
115.05468	9.1
116.06213	5.2
117.07011	24.9
117.70901	3.0
119.04935	3.4
119.08582	86.1
121.06522	15.8
121.10158	50.9
123.08060	34.0
123.11715	5.6
125.05984	11.6
125.09584	5.2
128.06221	11.2
129.07025	27.0
130.07791	8.4
131.08560	51.1
132.09378	3.4
133.06502	10.2
133.08592	5.2
133.10129	52.4
135.08051	31.9
135.11691	16.4
137.06006	3.6
137.09596	20.1
139.07515	12.0
139.11252	3.9
140.52489	3.5
141.06999	11.4
142.07755	30.0
143.08568	60.5
144.09319	19.0
145.06499	7.5
145.10120	73.4
147.08040	47.2
147.11710	17.6
149.09630	26.7
151.07542	24.7
153.07042	5.4
153.09055	3.4
154.07721	3.7
155.08501	16.5
156.09348	18.7
157.10136	85.7
158.10858	13.1
159.08038	19.8
159.11697	41.1
160.08846	10.4
161.09613	31.7
161.13255	11.5
163.11159	25.7
165.06958	8.9
165.09106	60.9
166.07817	3.8
167.08546	7.9
167.10681	17.7
168.09358	8.0
169.10123	27.0
170.10916	13.6
171.08105	6.8
171.11681	37.2
172.12440	8.7
173.09612	21.2
173.13202	17.7
175.11154	32.7
175.14809	8.4
176.11942	6.8
176.15710	3.1
177.09082	3.7
177.12737	8.0
179.08545	14.8
179.10739	11.0
180.09302	6.0
180.11411	4.1
181.08783	3.3
181.10123	16.5
181.12274	24.3
182.10893	11.6
183.08093	4.2
183.11682	33.1
184.12401	6.1
185.09647	7.4
185.13252	26.6
186.14018	3.7
187.11206	14.6
187.14806	11.9
189.12685	17.5
190.13573	16.3
191.10646	5.6
191.14285	3.6
192.09354	4.5
193.10153	13.1
193.12285	18.3
194.10860	9.6
195.11697	33.5
195.13576	5.4
196.12411	14.0
197.09663	5.1
197.13242	33.5
198.13939	7.9
199.11200	10.2
199.14815	8.6
200.12061	4.4
201.12743	9.1
203.14349	37.7
204.14751	4.1
206.10910	6.5
207.11722	20.5
207.13820	28.3
208.12404	8.3
208.14571	11.0
209.13243	23.6
209.15248	7.2
210.10385	4.6
210.13875	6.3
211.11185	11.5
211.14775	19.8
213.12790	11.8
213.16359	4.1
215.10695	4.1
215.14357	8.6
217.10114	4.2
218.11043	5.1
218.16647	4.4
219.11736	5.6
219.13803	9.7
220.12456	7.3
221.13284	14.1
221.15312	90.3
222.14021	5.6
222.15909	5.8
223.11185	6.6
223.14847	15.5
225.12700	9.7
225.16388	8.7
227.14406	9.2
229.12257	4.6
229.15791	6.8
231.11699	5.9
233.13190	11.2
233.15387	23.7
234.14085	5.4
234.16133	18.1
235.14801	10.9
235.16916	5.5
236.15343	4.3
237.12689	10.1
237.14642	36.5
239.14264	6.4
239.17819	5.7
241.15971	6.8
245.13277	5.2
247.14767	6.7
247.16960	8.3
248.14075	11.3
249.16501	6.4
251.14215	5.2
253.15889	8.1
254.78595	3.3
255.17456	27.4
259.14627	4.8
259.16959	7.7
261.16446	6.3
263.18103	4.1
267.17361	8.6
269.15625	4.2
269.18994	7.3
270.19702	5.4
271.16910	14.0
273.18600	8.3
274.19272	13.7
279.17377	7.1
279.20535	3.6
281.19009	10.1
285.18710	6.0
286.19312	20.7
287.20068	8.7
294.19678	7.3
297.18576	5.1
299.20190	15.2
303.19440	45.1
309.18573	4.2
310.19363	3.4
311.20132	6.4
312.20847	8.2
313.21750	16.5
313.41385	3.9
325.21683	41.5
326.22098	6.0
337.21600	12.1
352.23935	77.0
359.23651	4.6
365.24741	47.3
373.25308	4.6
377.24844	7.6
383.25827	13.6
391.26346	4.3
420.30038	4.9
437.30319	3.6
502.34451	7.8
503.34961	5.1
507.34662	46.3
508.34766	6.3
520.35516	41.0
582.40527	10.2
583.41241	7.2
585.39178	5.1
600.42023	20.9
601.41644	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05508	9.2
57.07074	11.8
57.36841	2.1
59.04990	5.1
61.30556	2.0
65.03917	2.9
67.05503	16.6
69.03426	13.5
69.07072	10.8
70.06596	13.1
74.87041	2.0
77.03940	3.1
79.05503	21.8
79.29320	2.4
81.03403	2.5
81.07056	29.1
83.04981	12.2
83.08618	4.9
85.06545	5.7
89.06020	5.5
90.78951	2.0
91.05477	42.5
93.06457	3.0
93.07041	53.8
95.04963	19.0
95.08609	28.3
96.08912	2.5
97.06529	6.0
103.05486	4.1
105.07027	76.5
107.08588	44.4
109.06510	12.2
109.10168	10.4
109.49689	2.4
111.08085	6.5
114.15942	2.4
115.05488	3.6
116.07097	19.9
116.08229	5.0
116.28453	2.2
117.06991	17.7
119.04930	3.1
119.08574	64.4
120.09391	3.1
121.06507	12.9
121.10136	39.1
123.08080	21.5
123.11709	5.1
125.05976	4.0
125.09621	7.4
128.06227	12.0
129.06987	15.6
130.07767	4.2
131.08583	30.1
133.06500	6.2
133.08583	3.1
133.10135	39.0
135.08067	21.0
135.11696	12.6
137.05954	2.3
137.09602	13.8
139.07541	3.0
139.11168	2.6
141.06987	7.5
142.07770	18.6
143.08557	37.4
144.09325	9.3
145.06516	3.7
145.10124	52.9
145.11235	4.4
146.10909	2.1
147.08043	26.3
147.11671	13.1
148.08765	2.4
149.09612	16.9
151.07526	14.6
155.08539	16.3
156.09366	16.4
157.10124	55.1
158.10867	7.3
159.08046	11.9
159.11684	30.2
160.08813	4.6
161.09602	19.4
161.13257	6.4
163.07448	3.2
163.11176	16.6
165.06982	5.7
165.09111	40.9
167.08560	9.3
167.10651	14.4
168.09384	4.6
169.10129	19.6
170.10893	8.9
171.07993	4.5
171.11691	35.4
172.12440	5.8
173.09621	12.0
173.13260	14.2
174.10405	4.1
175.11205	25.5
175.14835	2.9
177.09081	6.9
177.12761	3.6
179.08583	7.3
179.10748	4.6
180.09192	2.7
180.11485	3.9
181.08687	2.6
181.10202	10.9
181.12143	10.9
182.10945	8.0
183.11705	20.8
184.12538	5.6
185.09631	2.8
185.13225	18.1
186.14067	3.7
187.11191	9.8
187.14845	3.4
189.12778	8.7
190.13522	12.2
191.10748	4.9
191.14313	4.0
192.09372	2.6
193.10144	9.8
193.12308	8.0
194.10944	5.8
194.12720	2.3
195.11737	17.4
195.13429	3.4
196.12367	6.1
197.09775	3.8
197.11667	4.5
197.13254	17.1
199.11200	8.5
199.14754	5.2
200.11821	2.7
201.12723	10.0
203.14304	27.2
206.10866	4.6
207.11713	12.8
207.13814	17.5
208.12527	6.5
208.14603	9.6
209.09685	3.9
209.13289	15.4
209.15100	4.5
210.14044	3.8
211.11237	6.3
211.14775	11.0
213.12735	9.1
213.16217	2.2
215.14354	4.6
218.16603	2.5
219.11743	5.1
219.13817	7.9
220.12407	2.9
221.13281	13.2
221.15327	92.8
222.13849	2.6
222.52048	2.3
223.11145	3.2
223.14842	6.4
225.12749	5.8
225.16374	6.5
227.14296	5.6
231.13835	3.3
233.13292	4.1
233.15401	15.9
234.14063	3.1
234.16112	11.0
235.14868	7.1
237.12674	5.6
237.14709	37.2
241.15791	4.0
246.13957	4.6
247.14838	3.1
247.16995	7.3
248.13982	15.6
249.16472	6.4
250.15681	4.4
253.15956	6.6
255.17451	22.9
257.15530	2.9
259.17139	3.2
261.16409	7.0
268.18097	2.9
269.19012	5.5
270.19705	8.4
271.16901	8.5
273.18674	3.8
274.19199	13.6
275.17700	2.6
277.15756	2.9
279.17532	5.1
281.18863	6.2
285.18533	8.0
286.19290	19.1
287.20132	11.2
294.19772	7.1
297.18594	4.4
299.20215	18.4
303.19562	55.0
310.19229	3.1
312.20883	4.5
313.21747	12.3
322.23080	2.4
325.21564	15.4
337.21597	9.0
352.23972	100.0
353.24292	5.4
365.24738	21.0
377.24731	9.0
383.25711	5.6
454.30649	3.6
487.31876	3.0
502.34445	10.0
503.35071	8.6
505.33093	7.6
507.34677	12.9
508.35706	3.6
516.35156	2.7
520.35419	51.9
521.35791	6.4
541.18878	4.6
582.40314	2.5
583.41132	3.6
585.39301	3.2
600.41589	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.0
53.14494	2.1
55.01867	4.3
55.05511	19.9
57.02543	2.2
57.07083	10.2
59.05009	3.7
61.99730	2.0
65.03949	4.7
67.05506	27.9
69.03439	13.4
69.07066	22.5
69.37933	11.2
70.83986	2.0
71.04993	6.0
77.03946	3.8
79.05488	31.1
81.07057	36.8
83.04983	14.7
83.08612	10.8
85.06532	8.6
91.05481	55.2
92.06256	2.9
93.07043	70.4
94.07808	2.2
95.04964	27.3
95.08612	33.4
97.06518	14.5
100.27431	2.3
103.05468	5.0
105.04534	3.8
105.07030	100.0
107.04938	5.0
107.08591	63.4
109.06528	19.6
109.10149	27.4
111.08073	7.6
115.05468	7.3
116.06256	3.5
117.07017	22.2
119.04924	2.5
119.06111	2.5
119.08581	80.5
120.09402	3.0
121.06485	13.8
121.10139	57.8
121.10983	3.9
123.08064	39.0
123.11698	6.0
125.05994	3.7
125.09634	9.6
128.06215	19.2
129.07016	24.4
130.07803	13.5
131.08569	46.0
132.09360	3.4
133.06474	9.4
133.08621	2.9
133.10130	47.8
134.07312	4.0
135.08060	20.6
135.11693	11.8
137.09615	13.0
139.11168	4.4
141.06961	14.1
142.07773	31.4
143.08565	59.4
144.09389	13.2
144.10315	2.0
145.06517	5.8
145.08969	4.0
145.10121	71.6
145.11223	4.4
146.10878	3.5
147.08067	23.2
147.11679	17.5
149.09622	17.7
149.13269	3.2
151.07561	11.3
151.11162	4.6
153.07008	6.5
154.07756	4.1
155.08553	24.0
155.10579	11.4
156.09341	27.9
157.10126	77.8
158.10896	14.2
159.08061	22.7
159.11691	43.7
160.08824	5.6
160.12468	4.0
161.09584	18.7
161.13277	9.4
163.11140	10.7
165.06966	10.5
165.09113	17.3
166.07816	6.6
167.08598	12.5
167.10692	13.5
168.09363	10.1
169.10130	34.6
170.10941	14.9
171.08028	4.9
171.11684	45.1
171.97409	2.8
172.08830	4.4
172.12453	7.7
173.09628	12.3
173.13264	20.8
175.11174	24.3
175.14816	6.8
177.12677	3.2
179.08545	14.3
179.10750	3.2
179.14291	2.6
180.09315	9.3
181.10117	21.9
181.12257	11.6
182.10886	16.0
183.11681	31.7
184.12492	6.8
185.09662	7.7
185.13280	24.1
186.13995	4.1
187.11130	10.1
187.14828	8.9
188.11906	3.3
189.12714	11.4
190.13484	7.0
191.10573	2.9
191.14311	6.8
192.09303	5.9
193.10155	18.6
193.12256	5.9
194.10921	9.1
195.11681	28.7
196.12473	7.4
197.09653	4.8
197.13249	26.8
198.10309	2.1
198.13963	3.9
199.11203	9.1
199.14780	17.0
201.12730	7.5
201.16435	4.0
203.14317	19.0
205.10150	7.8
206.10880	8.3
207.11705	19.8
207.13844	8.2
208.12448	8.5
208.14468	3.7
209.09764	2.4
209.13257	28.6
209.15181	4.9
210.14003	7.2
210.88972	2.1
211.11200	6.9
211.14822	21.8
212.11986	2.8
213.12756	11.5
213.16396	8.1
213.30579	2.5
215.14275	12.0
217.12221	3.5
218.10802	4.0
218.16756	4.9
219.11714	9.2
219.13783	2.9
220.12479	6.2
221.13257	17.7
221.15385	44.1
222.13997	4.3
223.14806	18.1
224.15471	4.6
225.12822	6.4
225.16426	10.8
227.14297	8.9
229.15950	2.8
230.10921	2.5
231.11723	4.6
231.13747	3.1
232.12505	3.8
233.13219	8.2
233.15402	23.0
234.13959	3.7
234.16164	6.9
235.14883	15.1
236.15685	4.9
237.12567	5.0
237.14641	7.0
237.16412	13.2
239.14366	4.2
239.17941	5.1
241.15948	5.0
243.17496	2.6
245.13249	4.1
245.15451	3.3
246.13951	4.7
246.16299	4.8
247.14827	7.1
247.16994	5.7
249.12712	2.9
249.16336	11.7
251.14369	3.3
251.17912	6.5
253.15939	7.8
253.19289	2.5
255.17439	38.8
257.13220	3.5
257.19162	2.6
259.14746	4.1
260.15598	3.2
261.16318	7.1
261.18741	2.4
263.18048	5.6
265.15958	4.0
265.19427	5.5
267.17603	4.1
268.18307	5.0
269.18976	10.2
270.19778	9.2
271.14481	3.1
271.17084	4.1
273.16199	5.7
273.18570	7.8
274.19376	3.4
275.17792	4.9
277.19415	4.6
279.17529	4.6
281.19083	10.5
282.19733	2.7
283.21024	2.9
285.18521	5.7
286.19305	8.2
287.20111	7.9
289.16125	2.7
289.19495	4.6
291.20859	2.4
293.18878	3.6
294.19833	4.2
295.20734	5.0
296.60812	2.3
297.18552	3.7
299.19995	6.4
303.19482	13.1
307.20651	3.4
311.20135	4.7
312.20795	2.6
313.21652	4.8
319.20810	3.5
325.21735	6.0
334.22803	2.6
347.23849	6.7
352.24033	21.6
353.24109	2.9
359.23636	4.3
360.24353	3.4
361.25131	2.6
365.24805	13.8
383.25803	11.5
502.34180	4.5
507.34647	8.9
520.35437	17.0
567.38245	4.4
582.40192	4.2
585.39392	3.1
589.81934	2.2
600.41718	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73185	2.2
53.03933	3.4
55.01871	2.3
55.05516	11.4
57.07082	12.0
59.04993	4.8
65.03952	2.8
67.05511	21.1
69.03429	15.5
69.07076	14.5
69.47095	8.0
69.72943	2.2
71.04967	2.4
77.78125	2.0
78.50717	1.7
79.05492	25.4
81.07053	36.2
83.04993	15.6
83.08608	6.0
85.06534	7.5
87.45634	2.0
91.05476	37.5
91.06039	2.5
93.07047	59.9
95.04983	18.5
95.08611	34.4
97.06538	7.5
98.23446	3.8
103.05477	3.2
105.04528	4.4
105.07034	69.3
105.07740	4.2
106.07834	3.0
107.04914	3.8
107.08591	52.1
109.06528	21.8
109.10170	14.0
111.08073	6.5
113.09622	2.7
115.05440	5.0
116.06229	2.8
117.06998	18.1
119.08584	76.0
120.09354	4.7
121.06526	11.0
121.10146	50.5
122.07236	2.6
123.08076	25.4
125.05990	3.0
125.09628	9.1
128.06252	10.0
129.07016	17.9
130.07756	6.4
131.08553	33.4
132.09291	3.9
133.06485	9.1
133.08583	2.5
133.10124	40.7
135.08055	27.7
135.11687	12.8
137.05930	3.1
137.09630	13.4
137.49733	1.9
139.07504	3.3
141.07005	7.4
142.07774	24.6
143.08566	51.0
144.09377	13.3
145.06462	5.0
145.10133	62.4
147.08061	35.8
147.11674	15.2
149.09602	22.9
151.07549	20.3
152.08247	2.0
153.06969	3.1
155.08546	17.1
156.09328	17.0
157.10129	77.2
158.10909	11.5
159.08060	16.0
159.11696	38.9
160.08824	4.9
161.09605	24.5
161.13239	10.3
162.10295	3.8
163.07536	3.1
163.11183	19.4
165.06995	5.5
165.09120	42.1
166.07825	3.0
167.08574	8.4
167.10687	13.7
168.09293	6.3
169.10117	24.0
170.10934	12.9
171.08093	4.2
171.11694	36.6
172.08813	3.1
172.12463	8.6
173.09602	15.3
173.13295	15.1
174.10341	2.7
175.11194	28.8
175.14784	4.1
177.09146	2.8
177.12711	4.1
179.08571	3.4
179.10677	6.2
180.09351	6.0
180.11497	4.0
181.10133	14.2
181.12257	6.2
182.10898	7.9
183.11696	18.6
184.12515	5.7
185.09628	7.7
185.13261	21.6
186.10295	2.6
186.14099	4.4
187.11159	11.2
187.14784	6.2
188.11963	3.1
189.09117	3.1
189.12762	15.3
190.13557	11.9
191.10654	6.0
191.14275	6.7
192.09383	3.2
193.10304	12.3
193.11960	11.4
194.10895	7.3
195.11685	27.4
195.13622	4.4
195.51830	2.4
196.12460	6.0
197.09601	4.9
197.11612	3.8
197.13223	17.7
198.10336	2.5
198.13936	3.2
199.11223	10.0
199.14835	7.5
201.12735	9.0
203.14333	32.4
205.10025	2.4
206.10945	2.4
207.11697	15.5
207.13795	19.0
208.12566	4.8
208.14546	8.6
209.13232	15.7
209.15337	5.6
210.13953	5.5
211.11322	4.5
211.14792	16.3
213.12744	11.8
213.16174	1.9
215.10709	3.7
215.14316	4.6
217.12198	3.7
219.11693	5.5
219.13817	10.6
220.12389	5.6
221.13239	8.6
221.15346	95.1
222.13960	4.4
222.15871	3.6
223.11238	3.5
223.14906	10.3
225.12762	9.4
225.16351	6.5
227.14331	3.9
229.12192	2.7
229.15814	3.0
231.14015	2.2
232.12448	4.9
233.13199	6.2
233.15344	26.8
234.16129	12.3
235.14793	8.9
235.16879	3.9
237.12698	5.1
237.14684	37.0
239.14340	4.8
239.17996	2.4
241.15910	2.8
245.13246	2.8
245.15396	3.8
246.14037	4.0
246.16318	3.9
247.14876	4.8
247.16943	11.2
248.13957	15.5
249.16376	8.0
251.14253	3.3
253.15846	8.3
255.17433	22.4
257.15439	3.0
257.19031	2.8
259.14700	4.3
261.16360	8.0
262.16974	3.3
263.17920	5.5
265.16010	2.2
265.19394	3.0
267.17456	4.5
268.18317	3.8
269.18924	5.4
270.19821	6.5
271.17010	11.1
273.18729	4.0
274.19357	13.5
275.17697	2.8
279.17322	4.9
281.18906	7.9
282.19589	2.8
283.20807	2.7
285.18631	4.3
286.19342	15.7
287.20325	10.5
289.19531	3.1
293.18924	3.3
294.19623	4.1
295.20526	4.9
297.18536	5.0
299.20111	14.9
300.20755	4.0
303.19531	53.3
305.19330	2.1
305.22940	2.4
307.20502	4.3
309.18433	2.5
311.19989	4.5
312.20950	5.5
313.21567	17.7
319.20514	5.0
325.21786	18.6
327.20779	2.2
337.21515	9.4
352.23993	100.0
353.24265	8.0
363.23361	2.3
365.24722	23.1
377.24738	6.5
383.25745	6.8
403.24921	2.3
418.85910	2.1
420.30185	3.9
487.31909	4.8
502.34509	10.9
503.35239	6.4
505.33057	5.9
507.34778	11.1
508.35272	5.0
520.35474	49.4
521.35577	5.7
567.37756	2.9
582.39929	5.1
585.38806	5.7
600.41583	17.9
600.50128	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33841	5.9
55.05512	12.2
57.07067	25.1
67.05502	39.5
69.03437	9.1
69.07064	19.8
70.52822	7.7
70.53158	12.1
71.08626	15.4
75.83035	6.0
79.05515	29.2
81.07059	41.8
83.04993	11.8
83.08622	14.7
85.06561	9.1
85.10202	8.5
86.25732	6.8
87.04420	6.8
88.18757	5.7
89.06031	100.0
91.05495	41.4
93.07050	43.4
95.04974	27.3
95.08596	42.6
97.06551	7.4
97.10153	14.6
98.35824	6.6
100.94574	6.8
105.04483	7.7
105.07034	62.4
107.08595	49.6
109.06512	16.9
109.10151	24.8
111.08080	6.3
113.09662	8.5
117.07024	13.2
119.08582	49.7
121.06483	8.1
121.10149	44.1
123.08080	19.4
125.09599	9.9
128.06204	6.7
129.07008	23.0
130.07735	8.4
131.04900	6.0
131.08578	43.2
133.08626	46.8
133.10097	35.3
135.08047	9.3
135.11696	8.9
137.09613	8.2
141.06964	6.6
142.07788	26.6
143.08571	35.0
144.09369	9.2
145.10130	58.4
147.08063	11.2
147.11693	20.3
149.09680	16.7
155.08562	16.0
155.10658	10.9
156.09363	21.5
157.10139	46.6
158.10857	10.8
159.08095	16.7
159.11697	40.1
161.09625	8.5
161.13214	6.3
163.11127	7.6
165.07011	6.5
167.08557	12.0
167.10683	12.7
169.10123	33.2
170.10864	10.9
171.11679	36.1
173.09712	7.4
173.13277	22.5
175.11230	16.4
177.11217	27.4
179.08533	9.0
180.09370	10.6
181.10083	16.0
182.10776	8.0
183.11717	21.1
185.13292	18.7
186.14029	6.7
193.10152	17.8
194.11044	11.8
195.11685	20.4
197.13319	19.2
199.14804	7.9
203.14340	8.5
203.57074	6.6
206.10934	6.7
207.11662	11.6
209.13248	23.5
211.14757	11.7
213.12709	7.8
215.14348	9.1
218.16724	11.4
221.13385	14.8
221.15352	21.6
223.14848	14.6
225.16455	9.7
227.14114	6.5
233.13245	11.4
233.15408	17.6
237.16422	15.4
248.15486	7.6
255.17543	32.7
269.19006	8.2
273.18365	8.6
274.97314	7.2
335.23376	7.7
339.28610	7.1
347.23389	6.3
365.24780	12.3
383.25522	10.3
391.71338	6.6
402.09003	6.8
411.27515	11.2
415.25427	17.9
600.40814	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	8.4
57.07059	9.7
67.05500	19.8
69.03424	12.5
69.07047	9.5
69.52766	28.6
79.05500	15.8
81.07065	28.3
82.99033	7.3
91.05475	41.2
93.07041	38.0
95.04973	13.4
95.08614	22.5
105.07024	53.9
107.08635	17.1
109.06538	13.9
117.07008	13.0
119.08566	73.6
121.01913	6.9
121.06518	9.2
121.10157	21.4
123.08054	24.1
129.07047	12.6
131.08571	25.8
133.10129	24.0
135.08057	23.5
137.09627	15.3
141.07028	9.0
142.07780	15.5
143.08553	19.3
145.10109	47.4
146.06026	7.0
147.08067	33.4
149.09663	10.7
151.07527	14.3
155.08531	7.9
156.09389	9.8
157.10107	40.4
159.11705	24.7
161.09641	15.3
163.11205	15.6
165.09123	40.6
169.10092	12.2
173.09656	7.8
173.13222	9.3
175.11174	22.3
181.12242	25.4
183.11674	15.8
193.12181	15.7
195.11789	9.8
197.13150	7.5
199.11040	9.9
203.14359	22.4
208.14563	8.3
211.14842	7.4
219.13863	14.9
221.13266	9.5
221.15361	100.0
234.16148	26.8
247.16907	25.2
253.16006	8.1
268.91049	7.2
274.19229	16.5
287.20209	11.0
299.20010	18.9
312.20758	11.4
313.21481	9.9
325.21494	20.5
339.23004	8.2
340.23993	28.6
352.23932	25.2
365.25259	8.7
379.25824	9.5
419.29196	14.5
425.26913	10.3
427.28397	14.8
440.29120	55.4
520.35419	39.9
600.41284	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76617	0.5
55.01862	1.8
56.05022	1.9
57.03429	1.4
67.05473	0.6
68.05035	1.5
69.03423	2.0
69.16796	0.5
71.01357	0.6
73.02914	0.8
78.12758	0.6
79.05480	0.9
81.03414	1.3
85.02908	13.7
85.03416	0.9
91.05489	0.7
91.42092	0.5
94.02927	100.0
95.03268	1.0
95.04957	0.7
97.02899	1.9
103.03940	5.0
107.04957	0.9
109.02824	0.6
112.03970	4.0
121.02891	0.7
123.04433	0.7
127.03957	0.9
131.04919	1.0
133.02841	2.4
133.06490	0.7
136.03976	0.6
136.06180	4.6
137.01430	0.5
137.05968	1.1
138.03075	0.8
145.04903	0.7
147.04431	1.5
149.02339	1.5
150.03130	3.7
151.03879	1.4
153.01859	0.7
153.05482	1.2
154.04980	12.5
159.04398	3.0
159.08000	0.6
163.03961	1.3
165.05466	1.5
166.02625	1.1
167.07060	2.0
171.04375	1.4
175.03888	2.0
176.04662	1.0
177.01843	6.9
177.05479	1.8
178.02597	1.2
179.03387	1.9
179.06970	0.6
180.00458	0.8
181.04951	20.0
187.03925	2.0
190.02661	0.6
191.03389	4.9
192.04195	0.8
193.04926	2.6
194.02141	3.9
195.02917	3.0
196.06046	7.2
197.04449	2.4
199.03893	4.3
201.05472	0.9
203.03391	0.6
203.06987	0.7
204.04237	1.8
205.04970	5.6
207.02971	0.9
207.06514	1.3
209.04449	55.1
210.04893	0.8
214.07066	2.3
215.03391	2.3
216.04115	2.1
218.02158	0.6
219.02979	1.0
219.06528	3.9
221.04440	4.3
223.02588	0.7
223.06032	1.9
224.06375	0.7
229.04968	2.0
232.03633	1.2
233.04417	7.1
235.05914	0.9
243.02965	1.7
244.03304	0.8
247.05968	6.4
249.11235	5.3
250.11597	2.2
251.05518	10.9
257.04419	2.5
260.02985	2.5
263.05496	8.1
275.05496	25.1
276.05612	0.8
281.06512	1.0
293.03241	1.1
293.06534	19.7
311.07700	4.3
386.08566	1.5
404.09729	2.7
422.05032	1.1
422.10797	22.9
423.11102	0.7
601.20172	1.3
601.29779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06459	1.9
54.59205	2.0
55.05517	4.0
57.07062	7.0
60.15027	1.9
60.30544	1.8
60.31739	1.8
61.37099	1.7
64.45348	1.9
65.04026	1.6
67.05512	11.7
69.03423	8.8
69.07061	5.2
79.05488	12.3
80.06282	2.0
81.07046	17.7
83.08620	3.0
85.06544	3.8
91.05482	23.7
93.07040	33.3
95.04958	7.8
95.08598	16.2
97.06507	3.2
105.07021	30.6
107.08579	12.6
109.06519	8.0
109.10147	7.4
111.08057	2.7
115.05455	2.8
117.07001	9.3
119.08575	33.6
121.06491	5.0
121.10133	16.2
123.08063	9.4
123.11669	3.2
125.05971	5.1
128.06224	5.1
129.06998	3.5
131.08540	13.1
133.10146	16.8
135.08073	8.3
135.11711	6.1
137.09607	10.8
142.07773	5.6
143.08580	13.9
144.09297	2.5
145.10110	22.0
147.08032	18.5
147.11662	6.3
148.08420	2.5
149.09615	4.7
151.07556	11.0
153.06996	2.5
155.08553	5.1
156.09366	4.5
157.10155	16.6
159.08066	2.2
159.11649	13.0
160.12215	2.5
161.09645	6.0
161.13190	5.8
163.11200	6.5
165.07014	3.4
165.09125	36.5
169.10141	7.1
170.10686	3.0
171.11707	9.1
173.09630	3.5
173.13243	6.4
175.11133	3.8
175.14902	2.1
177.09006	2.9
177.12642	2.3
181.10211	3.2
181.12231	10.4
182.10957	3.0
183.11636	7.9
185.13223	7.1
189.12764	4.5
191.10641	2.4
191.14156	3.8
193.10184	2.5
195.11876	5.2
196.12456	2.1
197.13246	6.5
201.12872	2.8
201.16367	2.4
203.14278	13.3
204.14532	2.1
207.11797	4.3
207.13814	8.2
209.13193	6.1
209.15144	2.9
221.13440	3.6
221.15355	100.0
222.15727	9.2
223.14795	3.1
225.16428	2.7
235.14771	2.4
237.16158	3.7
247.16972	3.3
248.17369	2.5
251.17563	2.7
274.19287	3.9
286.19144	4.5
287.20068	5.5
299.19934	4.2
300.20612	5.2
301.21576	5.1
313.21655	3.1
316.58963	2.3
326.22168	2.4
341.24384	2.5
352.24075	5.2
353.24496	4.7
367.26376	6.6
393.27591	3.2
421.30179	2.2
440.29175	4.9
441.29489	13.2
491.35223	14.4
509.36307	4.3
521.35736	12.2
583.41168	11.3
601.42401	35.7
602.43359	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	602.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39322	0.7
52.63702	0.6
53.03927	0.8
55.05508	1.3
57.03442	3.5
58.99592	1.6
59.05001	1.0
62.33855	0.6
64.75326	0.7
67.05502	2.1
69.03431	14.2
69.07051	1.5
69.85461	0.8
69.85830	2.3
69.91724	0.7
71.04996	5.4
74.00658	1.6
79.05501	3.6
81.03387	0.8
81.07060	11.1
83.04996	2.3
85.02908	10.0
85.06526	1.0
86.00642	2.6
87.02689	0.9
87.04470	6.5
88.02228	5.0
88.03995	5.8
91.05484	1.1
93.07040	2.9
95.04974	2.8
95.08625	1.7
96.08131	0.7
97.01120	1.8
97.02892	6.9
97.06543	2.0
99.02675	1.6
99.08105	4.9
102.03760	1.5
103.02144	1.0
105.07026	2.4
107.04951	0.9
107.08604	5.7
109.06519	4.6
109.10143	9.6
111.02648	3.2
111.08077	1.3
113.04237	2.8
114.03754	1.0
115.01437	0.7
115.02161	3.2
115.03924	7.2
121.10145	4.2
121.10880	0.7
122.02725	2.8
123.08109	0.8
123.11710	7.5
125.04213	1.0
125.09628	2.0
126.03760	0.9
127.02185	1.0
127.11221	1.5
128.05295	5.7
129.03693	2.1
131.08553	1.4
132.01144	5.9
132.99519	1.3
133.04941	5.5
133.10146	4.4
134.02710	2.8
137.09598	1.1
139.11165	2.9
140.05289	6.7
141.03683	4.8
145.04933	0.8
146.02710	1.5
149.09639	0.9
151.11168	16.8
155.08842	0.8
162.02426	0.7
163.03836	0.7
165.07449	0.8
169.12213	7.1
173.09981	1.2
174.05833	9.3
175.04323	1.2
183.08392	3.9
185.10020	1.2
186.05843	16.8
187.04257	5.8
198.05885	1.0
201.09430	19.1
209.09944	1.6
226.12492	4.8
227.10976	2.1
249.11133	0.9
250.11589	1.0
254.12096	4.4
255.10527	1.4
267.12494	0.9
272.13153	41.4
273.11319	3.5
290.11017	1.4
290.14212	18.9
291.12363	0.9
303.69165	0.8
308.15256	100.0
309.15540	1.7
350.16202	2.2
386.16641	0.9
416.17334	1.8
422.18521	0.9
434.18546	2.6
440.19681	6.2
452.19775	3.8
470.20566	33.2
471.20779	0.7
482.08130	0.9
566.31201	0.8
584.23608	1.3
602.15289	1.2
602.24792	14.9
619.58740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17750	0.8
70.34721	1.9
78.04702	1.9
79.05492	2.8
81.07065	1.2
85.02895	1.2
91.05492	1.6
95.04985	1.2
103.05475	3.0
105.07021	5.3
107.04961	6.0
115.05463	1.9
119.04977	0.9
119.69888	0.9
121.02870	1.5
121.06522	2.6
123.03621	0.8
123.04414	3.8
124.05174	2.2
127.03941	1.1
127.85690	0.7
129.07106	1.0
131.04944	6.1
131.08601	1.2
133.06511	4.3
135.08066	1.5
137.05994	3.9
145.06462	3.5
147.04437	1.7
151.03900	2.7
151.07578	2.9
152.04706	1.0
153.01823	1.4
159.08070	1.8
161.06004	8.1
163.07524	11.1
167.07037	100.0
168.07330	0.8
173.09579	1.2
175.07545	2.5
177.05530	1.1
177.09099	2.9
179.07034	4.4
181.04968	3.6
181.08517	4.2
187.07562	2.4
193.08620	15.8
201.09155	1.8
205.08594	1.1
219.10202	2.5
225.07605	2.4
233.11694	3.5
237.11311	2.5
251.12755	1.4
255.08649	1.7
263.10669	0.9
313.60504	0.8
323.12769	2.9
355.15424	11.1
387.18094	10.9
405.19073	26.1
406.19159	1.0
533.89252	0.9
602.18201	1.2
602.28430	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	602.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
67.27693	0.3
69.03430	0.6
70.68986	0.4
70.69319	0.4
78.04704	1.8
79.05489	2.6
85.02898	1.8
91.05478	1.2
91.83847	0.3
92.42139	0.3
93.06998	0.7
95.04971	1.2
97.02904	0.7
103.05472	3.1
105.07029	3.5
106.04166	1.2
107.04959	7.4
109.06541	0.6
113.32132	0.3
115.05446	1.3
117.07011	1.1
121.06490	1.5
122.03594	0.4
123.04434	4.3
123.21759	0.3
124.05221	2.4
129.07018	0.7
131.04938	6.3
131.08566	0.9
132.05734	0.4
133.06485	4.9
134.03622	0.4
135.08041	0.9
137.05962	2.4
143.04918	0.4
143.08582	0.7
144.05693	0.4
145.06506	2.4
145.10117	0.5
147.04404	1.2
149.05994	0.5
151.03905	1.3
151.07532	3.3
152.04726	1.6
153.05493	0.7
157.06456	0.5
158.07269	0.9
159.08057	1.7
161.05981	6.9
163.07538	11.3
167.07033	100.0
168.07397	1.9
172.05205	0.3
173.05971	1.1
173.09605	1.3
174.06815	0.3
175.07552	1.2
177.09125	2.2
178.06273	0.4
179.07037	2.6
180.08711	0.5
181.08586	3.8
184.37839	0.3
186.06744	0.5
187.07507	2.8
189.09076	0.8
191.07013	0.4
192.07854	0.5
193.08589	14.7
194.08850	0.5
195.09987	0.3
201.09108	2.0
201.66626	0.3
203.07185	0.5
205.08553	1.4
207.10162	1.0
217.08679	0.8
219.10152	2.4
221.11740	0.5
231.08087	0.7
233.11693	3.4
235.11147	0.4
237.11246	2.4
249.11343	0.3
250.11642	0.4
251.12949	1.6
263.10638	1.4
288.65536	0.3
291.10181	0.6
295.13266	1.0
323.12692	1.9
355.15402	13.2
356.15536	0.6
365.12698	0.4
387.17990	13.4
388.18555	0.7
405.19095	28.8
406.19662	1.7
417.00266	0.3
423.20023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
57.07077	25.3
59.05005	3.5
62.99073	0.6
67.05505	1.3
69.03427	2.3
73.02919	1.7
73.06551	1.2
79.05489	0.6
79.12429	0.6
81.07047	1.1
87.04468	100.0
88.04815	1.0
89.06030	18.2
91.05483	2.6
93.07043	2.0
95.04973	0.8
105.07033	2.1
107.04964	0.9
107.08602	0.7
113.05994	2.6
117.07027	1.5
119.04956	0.8
119.08560	3.7
121.06514	4.0
121.10146	0.9
131.04964	1.4
131.07043	26.5
133.06500	1.2
133.08626	6.9
133.10126	0.9
135.08102	0.8
145.10123	0.9
147.08063	3.8
149.09608	3.6
155.08583	0.6
157.08643	1.2
161.27345	0.6
163.11259	0.7
173.09686	1.8
175.09668	24.0
175.11063	1.5
177.11264	2.5
191.10594	1.2
193.10713	1.2
193.12286	2.7
217.12183	0.7
219.12274	9.8
233.19110	1.0
235.13300	0.8
237.13074	0.8
259.20615	5.5
275.23807	0.9
279.15875	0.7
299.18469	1.1
303.23276	2.9
305.24521	1.5
343.20975	0.9
387.23898	2.7
585.39935	1.3
602.26678	4.7
602.36761	2.7
602.42975	3.0
603.38159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1839
Annotation	Dahuribirin F
Peak:m/z	Relative Intensity
57.06413	0.7
58.45975	0.7
70.07735	0.6
76.75430	0.6
85.02920	0.9
108.20164	0.6
118.84579	0.7
137.05972	0.8
139.03899	8.6
151.03949	1.7
163.03996	1.0
186.82397	0.8
187.03737	1.0
189.05273	2.0
196.07312	1.0
201.05276	2.7
211.09688	1.3
218.05473	1.9
242.20979	0.7
277.98206	0.7
298.68402	0.8
363.08395	1.3
371.10959	1.6
375.08273	1.7
377.10236	1.2
378.10724	1.5
379.11844	0.8
390.10577	1.1
393.09518	4.4
408.11768	23.3
409.12531	5.2
426.80478	0.8
573.17303	3.1
603.18323	100.0
604.19037	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	603.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14619	0.3
70.57169	0.5
104.56892	0.3
110.34223	0.3
130.81474	0.3
185.04289	0.9
263.05276	9.3
277.06824	24.9
278.07593	27.4
279.08353	7.5
319.97211	0.3
363.15930	0.3
395.12540	0.3
411.12558	0.7
440.13144	0.9
441.13654	15.0
442.13892	0.6
460.33502	0.3
603.18921	100.0
604.19141	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	603.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01867	3.7
55.05499	2.2
57.03437	13.4
59.05009	0.9
60.61155	0.6
61.02916	4.9
62.90021	0.6
69.03424	18.0
71.01344	2.4
71.04990	39.8
73.02917	17.8
75.04469	6.0
79.05497	0.7
81.03419	3.5
81.07056	1.1
83.04476	0.8
83.04975	17.1
85.02901	100.0
86.03236	1.4
87.04468	3.5
91.03955	2.1
95.05008	1.6
95.08604	1.3
97.02889	30.5
99.04452	2.6
101.06035	1.2
103.03938	2.3
105.07027	0.9
107.08583	0.8
109.02831	3.5
109.10146	1.5
111.04441	13.8
113.05991	0.8
115.03928	20.0
119.08569	0.8
120.63383	0.6
121.10157	0.8
127.03915	10.9
129.05473	32.2
130.05748	0.8
133.04965	10.6
139.03891	3.0
145.04956	15.5
147.06512	18.7
151.03900	1.2
153.05479	0.8
157.04965	1.4
159.06618	0.8
163.05998	5.1
165.07625	1.2
169.04916	3.6
171.06541	1.5
189.16267	0.9
191.17928	0.9
193.04984	0.9
195.06519	1.0
196.07259	0.7
199.05959	1.1
217.06949	1.1
218.58037	0.7
223.05954	1.7
225.07591	8.3
237.07617	1.5
241.07074	1.8
243.08635	6.7
255.08644	2.9
259.08093	3.6
261.09586	3.1
273.09760	2.2
277.09293	1.5
279.10785	7.0
291.10156	0.9
295.10266	1.7
309.11832	3.8
420.33240	0.8
585.27869	0.7
603.26459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	13.8
58.10064	3.3
61.02922	6.9
65.67268	3.4
69.03420	17.2
69.48358	14.9
71.04996	30.7
73.02913	18.1
75.04486	5.4
83.04962	12.4
85.02901	100.0
97.02907	29.5
111.04440	17.2
115.03937	18.4
127.03905	11.6
129.05463	33.2
133.04964	11.1
139.03825	3.7
145.04926	16.4
147.06529	21.5
225.07434	4.5
241.07082	4.6
243.08734	5.5
247.98360	3.5
253.43835	3.2
255.08653	5.2
279.10599	9.1
295.10028	4.1
309.11600	6.4
417.41000	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	603.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38839	0.5
69.61932	0.7
76.14575	0.5
81.07063	1.1
89.82543	0.6
93.07068	0.8
113.49648	0.5
125.03764	0.5
139.05034	0.7
141.31487	0.6
153.45737	0.6
201.05444	0.7
203.05367	1.4
249.13654	0.5
259.89963	0.6
287.07394	1.3
305.08459	0.6
317.08719	0.8
323.14731	1.0
347.09546	4.5
353.05957	0.6
355.17270	12.4
355.21384	0.7
365.10666	7.0
383.16742	4.9
389.10794	1.1
407.11636	12.0
407.16690	0.8
451.10751	1.9
455.19284	1.7
499.21539	1.1
517.22681	12.2
518.23126	1.1
559.23712	34.1
560.23932	1.5
603.22638	100.0
604.23108	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	603.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38839	0.5
69.61932	0.7
76.14575	0.5
81.07063	1.1
89.82543	0.6
93.07068	0.8
113.49648	0.5
125.03764	0.5
139.05034	0.7
141.31487	0.6
153.45737	0.6
201.05444	0.7
203.05367	1.4
249.13654	0.5
259.89963	0.6
287.07394	1.3
305.08459	0.6
317.08719	0.8
323.14731	1.0
347.09546	4.5
353.05957	0.6
355.17270	12.4
355.21384	0.7
365.10666	7.0
383.16742	4.9
389.10794	1.1
407.11636	12.0
407.16690	0.8
451.10751	1.9
455.19284	1.7
499.21539	1.1
517.22681	12.2
518.23126	1.1
559.23712	34.1
560.23932	1.5
603.22638	100.0
604.23108	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	603.226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57808	0.7
65.26436	0.8
69.33796	2.8
69.34188	2.1
81.07030	0.9
86.15559	0.8
90.54405	0.8
110.07848	0.8
139.03897	1.7
139.04968	0.8
153.01758	1.1
162.99985	1.0
171.01135	0.8
171.02634	1.2
185.04224	1.6
200.20583	0.9
203.05328	1.6
287.07358	1.3
305.08301	1.3
323.14548	4.1
347.09500	3.5
355.17230	13.0
365.10541	5.7
383.16693	5.8
386.96533	0.8
407.11658	12.0
425.12164	2.4
426.12564	1.5
451.10400	1.8
455.18954	2.9
499.17447	2.5
517.22687	13.2
559.23883	34.1
603.22192	100.0
604.21082	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	603.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35808	0.7
71.45592	1.0
85.02905	1.2
103.63833	0.8
103.97391	0.8
109.10230	0.9
127.03925	0.9
137.06004	1.4
139.03871	1.4
151.07588	0.9
163.07533	1.1
167.03404	1.3
217.15758	0.8
355.17279	9.0
365.10385	2.3
383.16620	3.0
423.23370	1.9
425.25168	4.1
499.21222	1.1
517.22528	12.9
559.15271	1.4
559.23517	27.7
560.23535	1.9
602.28125	1.1
603.21893	100.0
604.22888	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	603.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08696	0.2
61.14931	0.2
62.56416	0.2
67.05513	0.2
69.81005	0.5
71.41977	0.3
72.79392	0.2
81.07046	0.4
83.05021	0.2
85.02904	0.2
93.07034	0.3
94.28265	0.2
98.22843	0.4
105.07049	0.3
111.29382	0.3
119.08592	0.3
121.02807	0.2
123.11758	0.2
133.10254	0.3
148.14926	0.3
152.07062	0.4
153.01813	0.3
166.08682	0.2
194.08075	1.2
225.10223	0.6
236.09482	0.3
237.10225	0.7
238.10979	0.8
239.11780	3.8
251.11766	1.2
252.12604	1.8
253.09727	7.4
253.13358	4.7
254.10207	0.4
262.10962	0.3
263.12036	0.3
265.09854	0.3
265.13437	0.8
266.10583	0.3
267.11267	10.0
268.11716	0.3
279.11243	0.6
280.12036	1.9
281.12833	17.2
282.13419	0.5
283.11157	0.3
295.14413	2.3
297.12292	1.0
298.12982	0.4
299.34378	0.3
308.11649	1.5
309.12073	0.4
311.10214	1.1
311.13849	2.3
325.11801	1.1
326.12607	12.3
327.12830	0.3
328.14618	0.3
328.40805	0.3
339.13416	1.0
340.14212	1.1
340.17798	0.4
341.14944	100.0
342.15332	3.6
343.13171	0.4
356.13956	0.4
357.14667	0.4
358.15372	0.4
359.14825	0.4
372.17343	0.5
386.18777	0.4
416.15945	0.5
430.17609	0.8
431.18433	4.2
432.09775	0.3
432.18994	0.5
480.21170	5.0
481.22034	18.4
482.22333	1.3
571.25494	6.0
572.25586	0.4
585.29321	0.3
603.28888	3.7
603.37439	2.0
604.28503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01859	0.2
55.05511	0.5
57.07072	65.6
58.07403	0.4
59.04997	1.0
61.02910	0.1
65.03951	0.3
67.05511	0.2
69.03425	0.9
69.07065	0.8
71.04993	0.2
71.08627	1.1
73.02908	0.3
73.06557	2.0
74.06071	0.1
77.03896	1.0
78.04704	0.2
79.05474	0.9
81.03437	0.1
81.07056	0.4
83.04985	0.5
83.08611	0.5
87.04465	19.3
88.04803	0.1
89.06026	100.0
90.04697	0.2
90.06355	0.6
91.05472	8.6
91.07607	0.6
92.05764	0.1
93.07040	7.8
95.04964	4.0
95.05592	0.1
95.08582	0.5
97.06524	0.2
97.10148	0.2
99.08051	0.1
103.05460	2.7
104.06345	0.1
105.04512	1.8
105.07019	2.3
107.04957	1.3
107.07072	2.0
107.08585	2.6
109.06513	1.0
109.10135	0.3
113.06013	0.1
113.13277	1.1
115.05422	0.4
117.06999	2.1
117.09135	1.0
118.07796	5.5
119.04936	4.0
119.05900	0.1
119.06145	0.2
119.08576	5.6
120.05715	0.1
121.06496	32.1
121.10104	1.2
122.06777	0.4
123.08068	1.4
123.11713	0.1
128.06195	0.1
129.06999	0.6
130.07860	0.1
130.08624	2.4
131.07037	6.0
131.08444	0.5
132.05701	0.1
132.09341	0.2
133.08595	63.6
134.08922	0.5
135.08044	4.1
135.10130	0.4
135.11676	1.6
137.05899	0.1
137.09540	0.1
139.07530	0.1
143.08556	0.1
144.09337	0.3
145.06538	0.4
145.07524	0.1
145.10109	0.5
147.08035	12.9
147.11708	0.2
148.08443	0.2
149.09604	5.3
149.13254	0.8
150.06744	4.2
151.09621	0.2
157.08672	0.1
159.10336	0.1
159.11676	1.8
161.09618	0.4
161.11719	0.1
162.09102	0.2
162.10397	0.1
163.07532	0.8
163.09743	0.1
163.11166	3.2
165.09102	14.7
166.09419	0.2
167.09398	0.1
167.10677	1.8
168.10928	0.1
171.08041	0.2
173.09612	0.8
173.13036	0.1
175.09634	3.1
175.11169	0.8
176.09837	0.1
177.11224	18.6
177.12700	2.0
178.11511	0.3
179.10606	0.2
179.12727	0.1
189.09108	0.2
189.12773	0.2
189.14798	0.1
191.10654	3.7
193.10678	0.2
193.12239	1.7
195.12242	0.3
207.10129	0.2
207.13805	0.4
207.17445	0.1
209.11707	6.6
210.12167	0.1
211.13277	2.3
212.13782	0.1
217.12238	0.4
217.16960	0.7
219.12228	0.4
221.13820	2.8
223.15291	0.3
231.17401	0.7
233.18980	22.1
234.19286	0.4
235.13280	1.9
237.14819	0.3
237.63486	0.1
239.14781	0.5
247.20508	0.5
251.12737	0.1
253.14406	0.9
255.13399	0.1
255.15891	1.3
259.20563	3.3
261.22134	0.1
265.16409	0.7
271.15402	0.4
274.95001	0.1
275.20065	0.5
275.23648	1.6
277.21600	32.5
278.21948	1.0
279.15854	0.8
283.17542	0.8
297.16827	0.3
299.18628	0.6
303.23163	1.5
305.17224	0.1
305.24643	0.1
309.18976	0.3
315.17953	0.7
319.22665	0.2
321.24216	5.2
322.24451	0.1
323.18561	0.1
327.20056	0.2
341.19580	0.2
353.21402	0.1
359.20575	0.6
365.26889	0.1
403.23267	0.7
422.63086	0.1
447.25833	0.6
459.86411	0.1
491.21765	0.1
491.28516	1.9
515.35516	0.1
548.93365	0.1
559.38086	0.3
603.40967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61219	1.3
50.62460	1.2
57.07079	41.3
69.07050	1.7
69.49392	5.3
70.75922	1.1
71.08626	3.6
73.02921	100.0
85.10190	1.3
87.04471	11.7
89.06038	22.8
91.05482	6.1
93.07053	5.1
95.04979	2.7
103.03968	8.9
103.05515	1.9
105.07059	2.0
107.08581	1.7
108.19093	1.1
117.05521	1.6
117.07007	1.2
118.07819	2.9
119.04971	3.2
119.08588	3.8
121.06503	21.5
131.07039	2.5
133.07620	1.5
133.08614	19.7
135.08037	3.2
135.11819	1.4
147.08037	7.8
149.09616	3.1
150.06743	2.4
159.11801	1.5
161.08061	2.0
163.11255	1.5
165.09131	9.0
167.10707	1.9
175.09666	2.2
177.11253	6.0
177.12674	1.6
205.10693	7.0
209.11771	5.4
233.19003	10.4
233.42052	1.2
235.13312	1.6
249.13515	1.7
253.14238	1.6
259.20703	1.5
277.21582	15.9
303.41190	1.2
321.24219	5.6
405.63898	1.3
447.25812	11.1
515.35919	1.4
559.38690	6.6
566.23267	1.5
604.40552	34.7
605.40680	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04935	1.2
55.05512	41.5
57.07072	5.2
67.05501	4.3
69.07087	2.1
69.72392	5.6
79.05498	4.5
81.07049	6.1
83.04982	66.4
85.66317	1.4
91.05469	9.4
93.07043	15.2
95.04966	1.6
95.08611	7.6
97.10197	1.7
105.07009	11.2
107.08592	15.6
109.10163	6.2
115.05461	1.5
117.07027	4.0
119.08571	11.9
121.10133	10.6
123.07993	1.4
129.07019	4.4
131.08560	9.5
133.10152	6.0
135.08051	1.2
135.11691	25.0
137.09541	6.2
141.07030	5.8
142.07851	2.6
143.08574	9.9
145.10114	7.4
147.11655	3.2
149.09564	1.8
151.07567	1.4
153.07011	1.6
155.08566	5.3
156.09364	2.9
157.10124	10.9
159.08044	1.7
159.11716	3.0
161.13272	2.9
163.11201	2.4
165.07007	4.3
166.06435	1.9
166.07813	5.0
167.07104	2.8
167.08583	11.4
168.09314	1.9
169.10100	6.5
171.11687	8.1
173.13249	4.6
179.08585	5.1
180.09351	4.0
181.08586	3.4
181.10091	27.0
183.11700	8.1
185.09772	1.9
185.13266	7.1
187.14871	4.4
189.12782	3.8
193.10118	2.0
194.10915	5.9
195.11690	17.3
196.12354	1.7
197.13277	2.2
199.11128	1.8
199.14787	7.0
201.12729	2.7
203.14328	1.8
207.11757	1.6
208.12631	2.0
209.13225	13.6
211.14742	2.5
213.07568	4.9
222.14005	2.6
223.14810	20.0
225.16397	5.9
227.14359	8.1
235.14888	1.7
236.15681	1.6
237.16428	8.5
239.17967	3.6
241.15852	3.3
241.19827	1.7
255.21074	10.9
256.21387	1.7
265.16705	3.2
265.19516	60.3
266.19928	2.7
283.20544	100.0
284.20868	3.7
301.21619	5.0
316.65448	1.4
343.22577	1.4
365.24799	13.7
383.25745	10.0
427.32697	1.6
443.27863	1.6
464.29364	1.4
527.37372	3.0
604.42633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64602	0.6
68.89053	0.5
70.13198	1.5
84.25800	0.7
133.54553	0.7
136.24733	0.7
196.07298	0.8
258.85037	0.9
356.04099	0.7
375.08276	0.7
378.10648	1.2
393.09247	2.3
408.11804	4.3
483.44016	0.8
563.25092	0.8
575.18066	0.8
593.14844	0.7
604.26117	1.7
605.19360	100.0
605.26733	9.4
606.19958	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	605.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95786	0.4
70.32214	0.8
81.07047	0.7
84.92387	0.4
86.46098	0.4
91.05506	0.4
123.04445	0.8
123.49549	0.4
125.64851	0.4
139.03952	0.5
151.03793	0.5
157.42441	0.4
163.03862	0.9
189.05299	0.5
336.91003	0.5
347.75394	0.4
375.08377	0.7
378.10840	0.7
390.10815	0.4
393.09515	3.2
393.14127	0.6
408.11826	4.0
409.12775	0.6
421.12848	0.4
496.20850	0.4
545.16809	0.7
557.18323	0.5
605.19818	100.0
606.20239	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	605.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22918	0.3
53.02128	0.3
54.52373	0.3
57.06448	0.3
69.42888	1.5
70.06634	0.3
87.21820	0.3
89.25719	0.3
135.05528	0.3
139.03911	0.8
145.85387	0.4
151.11839	0.4
163.07498	0.5
342.97900	0.4
344.05884	0.3
370.34241	0.4
397.12714	0.8
443.13315	0.8
461.69513	0.4
590.19666	0.5
605.22021	100.0
606.22504	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	605.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89616	0.4
58.72425	0.5
81.32568	0.4
88.36440	0.5
98.22648	1.4
122.36049	0.5
139.03905	0.7
141.01784	0.5
163.04082	0.6
185.04260	1.1
189.05208	4.8
255.11462	0.7
268.29166	0.5
303.05011	1.0
305.15125	1.0
360.58081	0.5
427.13669	1.8
441.15610	0.5
442.16144	1.4
443.16788	2.8
550.24011	0.6
561.24982	0.5
605.22034	100.0
606.22351	5.4
612.32922	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	605.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75561	0.6
69.75925	0.7
116.87028	0.4
124.48734	0.4
135.48738	0.4
137.02277	0.4
139.03912	1.2
185.04245	0.4
186.76289	0.4
205.04749	0.4
257.07928	0.9
275.08862	0.6
392.95526	0.4
397.12994	0.5
409.13065	0.5
411.14136	1.3
427.13672	3.2
428.14191	0.4
442.16031	1.0
443.16867	4.2
455.10809	0.4
605.22040	100.0
606.22437	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	606.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99962	2.6
67.05504	7.2
69.07050	4.7
71.11198	3.1
79.05497	5.4
81.07039	3.2
83.74493	2.4
91.05500	5.1
93.07069	5.5
94.35880	2.6
95.04980	4.7
95.08591	3.3
107.04125	3.7
108.74322	3.4
109.06528	4.2
109.10159	3.3
121.06528	4.2
123.04426	18.5
125.05972	3.5
137.06007	7.7
139.03928	7.9
139.07535	10.5
140.36357	3.6
141.05426	3.8
142.44980	2.9
151.07544	9.4
152.04633	3.4
153.05479	17.5
153.09105	6.1
154.06259	3.3
155.06976	6.9
161.05981	3.0
163.03951	3.0
165.09096	6.2
166.06253	6.1
167.03441	27.2
167.07031	22.2
168.04189	64.8
168.07802	5.2
169.04991	22.4
175.07617	3.0
179.07056	7.1
181.04985	14.9
181.08583	26.3
182.05757	96.1
182.09236	7.4
183.06535	42.2
184.07339	15.7
189.09119	4.5
193.08620	9.3
195.10219	7.3
196.07321	37.3
197.08081	47.0
198.08827	31.0
199.09607	4.5
205.08519	5.4
207.10185	9.6
211.09657	50.1
212.10406	5.6
213.11215	16.6
218.04553	2.8
225.11188	8.4
321.24127	9.7
331.22543	5.2
349.23611	4.5
465.26086	5.1
469.29382	12.6
487.30466	26.9
497.28973	29.9
501.31952	3.5
529.31732	34.3
530.31903	8.2
543.32880	3.5
546.31830	23.7
547.32324	12.3
561.34247	100.0
562.34344	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	606.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60865	1.0
57.07075	91.5
59.04976	1.4
60.60446	0.9
69.03445	1.4
73.06568	2.5
79.05476	2.2
81.07071	1.3
87.04465	19.1
89.06029	100.0
91.05480	11.5
93.07054	7.1
95.04970	2.9
99.11736	3.4
103.05479	2.1
105.04538	1.1
105.07017	2.3
107.04948	2.7
107.07079	1.8
107.08585	4.0
117.07007	2.9
117.09192	1.1
118.07790	4.7
119.04941	3.7
119.08601	5.3
121.06498	27.4
121.10128	1.8
130.08632	3.2
131.07028	8.2
132.09361	1.4
133.08601	67.2
134.08852	0.9
135.08051	10.5
135.11700	3.9
145.10117	1.0
147.08037	11.6
149.09633	4.4
150.06766	3.8
163.11177	5.7
163.66978	0.9
165.09140	9.6
167.10631	2.2
173.09639	1.1
175.09686	4.5
175.11044	1.0
177.11215	29.3
177.12766	1.5
191.10634	2.5
193.12219	2.0
209.11723	5.7
211.13312	3.4
219.12363	1.0
219.17429	23.4
220.17769	1.3
221.13791	8.2
235.13263	3.4
245.18985	3.7
253.14378	1.6
255.15932	3.3
263.20078	33.2
264.20364	1.1
265.16449	1.8
279.16110	1.4
283.17429	2.3
289.21597	4.3
299.18600	2.2
307.22641	10.7
309.19000	1.3
333.15131	3.0
334.15417	1.9
407.18790	1.6
408.19296	1.2
491.28384	7.3
501.33960	1.7
545.36682	2.1
589.39532	22.0
606.42035	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	607.1999
Annotation	6-methoxypodophyllotoxin 7-glucoside
Peak:m/z	Relative Intensity
57.28761	0.5
65.46600	0.5
69.03432	0.6
71.44656	0.6
71.45006	0.4
73.35476	0.4
85.02900	0.7
92.99475	0.4
97.02897	0.5
131.04874	0.7
147.08044	0.4
150.05478	0.8
159.04243	0.4
176.04436	1.2
179.55843	0.4
181.04973	0.7
185.04210	0.7
201.04161	0.6
203.05289	0.6
205.04727	9.9
226.45830	0.4
232.07140	0.6
247.04880	0.6
378.29849	0.4
382.82388	0.5
427.13641	4.1
429.15051	1.0
445.14761	0.5
541.61749	0.5
589.19183	0.8
607.19897	100.0
608.20111	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	607.2147
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
52.84648	0.4
119.08566	0.3
121.83377	0.3
146.49664	0.3
157.04758	0.8
166.19354	0.4
185.68637	0.4
282.65131	0.3
318.33054	0.4
361.10416	1.3
363.11945	0.5
365.10052	1.0
377.10022	1.4
379.11578	0.4
380.12354	1.8
381.13272	0.4
392.12231	2.1
395.10959	3.6
410.13367	5.8
411.14075	0.5
475.26599	0.5
522.76886	0.4
559.19501	0.5
577.20483	1.0
607.21405	100.0
608.21704	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2154
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
63.47491	0.3
69.55611	0.5
69.56000	0.6
91.26274	0.3
98.22741	0.4
99.27090	0.2
101.13866	0.3
120.55670	0.3
128.19026	0.2
129.12328	0.2
131.05658	0.3
144.90382	0.3
310.51474	0.3
343.11279	0.4
395.11005	3.1
409.12241	0.3
410.13339	8.7
411.13882	0.7
474.88892	0.2
476.16470	0.4
607.21454	100.0
608.21832	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	607.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23729	0.9
69.24140	0.6
100.11250	0.7
100.57603	0.3
111.15893	0.3
154.12273	0.5
161.75293	0.3
177.05203	0.3
182.15425	0.6
188.24454	0.3
210.14912	0.3
395.10934	3.3
410.13370	9.6
411.13791	0.7
451.15912	0.5
526.17487	0.3
606.46088	0.7
607.21167	100.0
607.28406	8.0
608.21576	5.4
608.30322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38915	1.1
98.23408	0.7
105.20373	0.4
116.57526	0.3
126.93665	0.4
153.05214	0.7
185.04312	0.5
217.25734	0.4
233.13287	0.3
298.24500	0.4
315.10486	100.0
316.10812	1.7
346.49240	0.3
357.07495	0.4
556.59772	0.4
607.24341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.221
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44727	0.5
71.79879	0.6
83.78941	0.5
107.22160	0.6
167.98199	0.5
176.35725	0.5
185.04218	0.6
309.91272	0.6
315.10474	100.0
316.10834	2.7
421.26590	0.6
454.27069	0.6
547.66736	0.5
607.25220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40399	0.5
69.40807	0.9
70.77891	0.2
81.07035	0.3
85.02912	0.8
91.05494	0.3
121.06383	0.3
123.04413	0.4
137.05940	0.3
139.03891	0.4
139.53326	0.3
146.34100	0.3
146.67204	0.3
149.22298	0.2
153.05484	0.5
230.12555	0.4
248.08987	0.3
248.13689	0.4
273.09521	1.5
445.18927	0.4
607.23584	100.0
608.23944	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	607.2362
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
51.04377	0.3
56.23433	0.2
56.91632	0.2
58.84345	0.2
60.67968	0.2
69.35399	1.4
70.64874	0.2
91.98362	0.3
98.22616	0.3
105.06982	0.3
111.04222	0.6
116.45152	0.3
124.91174	0.3
139.03951	0.3
147.95139	0.3
185.04190	0.5
187.77451	0.2
189.05222	17.5
190.05972	2.3
277.10281	0.4
375.76001	0.3
429.15070	2.0
430.16010	0.5
444.17395	2.6
445.18347	13.7
446.18802	1.1
607.23572	100.0
608.23938	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	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
63.02208	0.4
63.55836	0.3
77.08060	0.3
77.89363	0.3
89.97896	0.4
117.06003	0.4
149.74228	0.4
150.05803	0.4
209.55165	0.4
211.53444	0.4
219.59990	0.3
374.15088	0.5
375.16043	0.6
387.16196	0.7
388.16550	0.9
389.17715	2.0
390.18558	0.8
391.19168	0.8
392.20071	0.5
401.17429	0.5
402.18457	1.0
403.19385	3.2
404.19913	1.9
405.20862	2.1
406.21338	0.4
415.19635	0.5
416.16165	0.9
417.16415	3.8
417.21567	1.0
418.17398	0.8
418.22321	0.6
419.22415	4.5
420.23184	1.0
429.16721	0.4
431.18292	5.7
432.19073	3.1
433.20071	3.6
443.18484	0.5
445.20313	5.0
446.21030	7.1
447.21722	7.3
448.22433	1.1
459.17606	0.8
459.22339	1.0
460.18622	0.4
461.19562	2.1
462.19818	0.5
463.20465	0.4
473.19318	1.2
474.20493	4.0
475.21021	4.6
476.22125	0.5
477.23026	0.7
478.23364	0.6
487.21399	1.3
488.21793	0.6
490.23892	0.7
491.19891	2.6
501.22751	1.4
504.21960	0.5
505.22272	1.1
506.22910	0.5
519.24078	16.1
520.24103	1.6
547.23364	12.8
548.23547	1.7
561.25378	0.6
579.26019	6.0
580.26422	0.7
607.25476	100.0
608.25818	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	607.2915
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
61.22522	1.6
66.50207	1.5
68.77168	1.8
69.10783	10.7
74.67284	1.5
77.00338	1.7
92.02186	1.6
116.93193	1.7
135.67386	1.7
179.98090	1.7
193.71233	1.9
288.51291	2.0
310.33856	1.7
403.18448	1.9
417.20557	1.8
419.22455	2.8
431.18201	3.7
433.23837	5.6
445.20432	4.9
446.21790	1.9
447.21863	2.8
460.22733	5.4
461.23386	5.4
473.23340	2.0
526.70959	2.5
547.27148	15.2
607.29102	100.0
608.29254	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	607.2916
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
56.34663	3.4
57.79869	2.8
59.05031	3.5
69.21304	12.9
69.21707	7.3
75.09144	3.3
80.00032	4.3
86.76296	3.4
105.07112	3.8
139.60550	3.4
195.15866	3.3
208.27498	3.5
265.49408	3.7
339.98590	4.0
354.90060	4.0
403.99933	4.9
404.64325	4.2
405.21008	4.5
417.20844	4.6
418.21127	4.0
431.18118	5.6
433.23969	7.9
445.20422	10.8
459.22269	4.1
460.22430	9.6
461.23291	17.3
547.26996	53.7
607.29095	100.0
608.29749	7.2
608.43634	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	607.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03943	6.0
55.01871	5.3
55.05509	18.9
57.03434	6.5
57.07068	2.6
59.05004	1.1
65.03938	4.0
67.05501	60.6
69.03426	15.7
69.07062	19.4
71.01365	2.2
71.04985	7.1
71.08658	0.8
77.03928	1.0
79.05487	45.8
81.03004	0.8
81.03413	60.2
81.07053	77.4
82.03754	1.0
82.07396	0.9
83.04978	14.1
83.08614	13.0
85.02907	7.1
85.06526	3.9
91.05476	35.0
93.07039	52.1
95.04965	12.0
95.08604	24.4
95.09220	1.2
95.35320	0.6
97.02885	11.7
97.06516	8.4
97.07024	0.7
97.10164	1.3
98.22617	1.4
99.04449	4.2
99.08104	3.7
101.06004	0.6
103.03904	1.2
103.05479	1.2
105.04521	2.3
105.06352	0.6
105.07024	19.3
107.04961	4.9
107.08590	26.8
109.02872	13.9
109.06525	5.6
109.10137	4.7
111.04440	8.0
111.08076	5.9
113.06017	0.8
115.05450	1.2
116.80813	0.7
117.07013	12.6
117.07784	1.0
119.04982	1.1
119.08566	10.0
121.06517	4.1
121.10134	15.4
123.04446	1.7
123.08076	2.6
123.11697	5.7
125.05989	0.7
125.09593	0.9
127.03902	7.0
127.07569	1.2
128.06207	1.5
129.05511	1.0
129.07008	6.0
131.04953	2.0
131.08545	12.9
131.09435	0.9
133.06505	2.4
133.10126	13.1
135.04494	0.9
135.08061	3.0
135.11700	8.6
137.05997	1.2
137.09618	1.3
139.03940	0.7
139.07562	1.0
139.11214	0.8
141.06982	1.5
142.07813	0.7
143.08585	3.3
145.06485	2.5
145.10086	3.2
146.37372	0.6
147.08083	1.7
147.11682	11.0
149.05954	1.0
149.09621	1.3
149.13252	21.0
151.11186	1.4
155.08578	2.5
157.06567	1.1
157.10143	2.7
159.08115	1.7
159.10400	1.0
159.11678	11.6
159.12943	0.8
161.06046	0.9
161.13306	1.4
163.07600	0.8
163.11203	1.6
165.12758	5.1
167.08600	0.8
169.10187	1.7
171.08118	1.0
171.11737	2.7
173.04506	2.3
173.05902	0.8
173.09607	1.0
173.13283	1.8
175.07626	0.9
175.11182	1.4
177.12746	7.6
181.10165	0.7
183.06584	3.1
183.07994	0.7
183.11763	2.0
185.13322	1.6
187.11230	0.9
189.12730	1.3
191.10706	0.7
193.12289	1.0
195.12064	0.7
195.13780	16.2
195.15570	0.8
197.13255	1.5
199.14824	0.7
201.12776	1.4
203.14221	0.9
207.13885	0.6
207.72752	0.7
211.15009	0.9
213.13060	1.0
213.14806	4.3
214.52025	0.6
219.13873	1.3
229.14305	1.4
231.13927	0.9
233.15392	1.5
237.15038	0.8
243.13904	0.9
249.14952	1.4
251.16490	1.3
253.18152	1.6
257.15527	1.5
259.13269	0.7
261.14957	2.4
267.15915	6.3
269.17477	13.5
275.16458	2.4
279.15961	0.7
285.14560	1.6
285.17264	1.2
287.16434	1.2
293.17511	1.0
297.17004	2.1
303.15848	4.2
311.18646	1.6
321.16983	5.2
323.18677	0.7
335.18445	1.2
339.18021	11.4
353.24890	1.6
355.17838	0.7
359.18341	0.9
371.25595	1.3
375.43237	0.7
377.19449	3.7
387.31711	0.8
389.26999	1.1
395.20618	14.0
396.21304	0.8
411.20099	0.8
445.29434	9.2
463.30469	14.7
479.29706	1.0
487.30847	1.1
511.30487	1.0
529.31696	2.4
533.31061	1.1
547.32849	0.8
553.31738	1.6
571.32019	2.9
589.33636	8.3
607.34741	100.0
608.35254	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	607.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.05512	37.6
57.07067	5.0
67.05506	10.3
69.07069	36.7
69.47860	1.2
71.08643	2.4
79.05498	5.1
81.07051	10.6
83.01340	8.8
83.05010	1.5
83.08617	13.0
91.05476	6.3
93.07037	2.8
95.04987	3.4
95.08595	7.4
97.10169	6.6
109.06488	7.4
109.10164	4.8
117.06970	1.4
119.08573	1.3
121.06529	4.4
121.10159	1.4
123.04411	5.9
124.05226	1.5
125.05986	2.0
131.08572	2.0
133.06442	1.4
135.08078	2.0
137.05975	100.0
138.06775	25.1
145.06493	1.4
145.16902	1.1
147.47173	1.1
147.83751	1.2
149.06076	1.2
149.09605	1.2
150.06764	1.4
151.07503	8.5
159.08113	2.3
161.05997	2.4
163.07532	24.1
173.09625	1.5
175.07587	4.3
177.09116	23.3
183.21080	1.3
185.09615	2.0
187.07619	1.3
189.09142	4.0
191.10696	3.3
197.09555	2.4
198.06833	2.8
203.07234	1.3
203.10735	1.7
205.12257	1.4
209.09505	1.3
211.07552	2.0
212.08357	5.2
213.09128	17.2
214.06297	1.5
215.10460	1.6
217.08798	1.5
225.09171	4.8
226.09877	1.5
227.10635	9.6
231.10208	2.6
238.09833	1.6
240.07852	2.3
241.08594	37.2
242.09045	2.5
243.06572	3.2
243.10266	2.1
244.07358	3.9
247.09760	2.9
253.08641	5.1
255.10156	28.5
257.08115	14.1
258.08871	18.6
259.09662	41.9
260.10037	1.7
267.10205	2.9
271.09634	45.3
272.10223	1.4
273.11206	29.3
274.11682	2.2
274.20291	1.5
281.11807	2.7
285.11295	4.8
295.13266	2.2
299.12894	5.2
301.21777	1.7
303.23260	5.3
313.14236	2.8
409.27048	1.6
421.27353	1.8
423.29001	1.7
425.26709	4.5
426.27463	10.4
427.28427	30.3
439.28400	30.8
440.28833	1.9
441.29889	2.2
447.21985	1.5
467.31317	1.3
500.61539	1.3
519.23657	2.3
547.23981	1.5
589.46246	2.4
607.24939	7.9
607.47192	95.8
608.47473	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	608.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66455	0.9
52.30365	0.9
55.05505	1.7
57.07077	42.4
67.05503	2.4
69.03418	1.3
69.07066	1.9
71.43236	1.3
73.06553	2.0
79.05482	2.7
81.03422	3.5
81.07059	2.9
83.08641	1.1
85.02926	1.0
87.04472	21.3
89.06033	100.0
90.06364	1.0
91.05469	12.9
93.07037	10.2
95.04966	3.4
103.05482	2.1
105.04571	1.3
105.07030	8.0
107.07055	1.8
107.08598	3.4
109.06525	1.9
117.07003	2.4
117.09177	1.3
118.07907	1.0
119.04952	4.3
119.08565	6.7
121.06508	38.2
121.10132	3.1
127.82114	0.9
129.06969	1.5
130.08606	2.1
131.07057	10.3
131.08586	3.1
133.08606	63.3
133.10172	1.9
135.08107	2.5
135.11766	2.3
147.08038	16.9
149.09628	5.5
149.13240	1.3
151.11177	1.2
159.11703	3.6
161.10748	3.6
165.09108	8.3
167.10651	2.8
173.09647	1.0
175.09651	6.3
175.11021	1.4
177.11229	26.0
177.12773	25.6
178.13196	1.1
180.07648	1.1
191.10663	2.4
201.14917	1.9
203.14328	5.0
209.11789	1.9
211.13304	2.7
221.15440	39.5
222.15831	1.5
235.13350	2.8
247.16934	3.9
255.15869	2.3
263.16284	1.1
265.18033	13.5
279.15811	2.0
299.18387	1.5
353.22623	1.4
411.27576	1.7
463.00397	1.0
474.46304	0.9
535.30823	1.7
591.37463	17.5
592.37946	1.4
608.39569	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	608.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55936	2.5
53.55199	2.2
55.05502	2.6
57.38418	2.1
59.33105	2.1
59.45065	2.7
69.25222	14.3
69.75031	2.8
71.63177	2.2
83.08638	3.3
84.24503	2.3
93.07014	3.1
99.69238	2.7
110.38704	2.4
112.60822	2.2
123.04417	11.0
125.05976	7.5
135.08011	2.7
136.05231	2.7
137.05977	6.8
138.06693	3.8
139.07568	8.7
141.05447	3.6
151.07544	10.2
152.04683	3.4
152.08275	3.8
152.13431	2.7
153.05447	9.5
153.09077	3.3
155.07033	4.6
164.21306	2.5
165.09100	4.2
166.06252	16.6
167.03404	5.4
167.07019	22.1
168.07819	19.2
169.04962	30.2
170.05544	2.2
177.09033	2.4
180.07773	4.6
181.04962	27.1
181.08582	65.2
181.10115	4.8
182.05757	23.0
182.09279	7.5
183.06558	24.4
183.10101	3.5
184.07307	100.0
193.08617	2.9
195.10196	9.1
196.07297	62.0
197.08032	19.1
198.08849	40.1
199.09645	28.4
207.10155	5.4
210.08867	3.6
211.09633	69.2
213.11137	12.5
225.11186	17.3
347.25757	3.1
390.54745	2.3
393.29984	7.5
432.68713	2.4
464.60452	2.7
495.30801	8.2
517.35004	11.3
527.33844	16.6
559.36566	17.9
560.36639	10.8
576.36407	4.3
591.38940	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11706	0.4
53.00306	0.8
54.31580	0.4
55.01860	1.0
64.72598	0.4
65.03980	0.5
68.99793	1.8
69.85163	1.5
81.03385	0.4
85.02908	0.6
88.99924	0.4
98.22717	0.5
98.35076	0.4
109.02886	0.5
109.40818	0.4
111.00777	1.3
121.02840	1.8
123.04419	1.9
127.03910	6.8
129.16788	0.4
135.04489	0.5
139.03900	17.3
147.04399	1.0
149.02354	2.3
149.06021	0.5
150.03128	0.6
151.03905	5.9
153.01828	7.9
153.02927	0.9
155.03366	1.6
159.04335	0.6
163.03902	3.5
165.01859	0.6
165.05568	0.5
167.03346	0.7
171.04359	0.8
173.05972	1.0
175.03911	1.1
177.01814	0.6
177.05479	1.6
179.03387	5.8
181.04955	0.6
183.04346	0.6
187.03918	1.0
189.05534	0.5
191.03419	2.4
201.05490	1.0
203.03407	1.8
205.04907	1.4
213.05315	1.0
215.03409	1.3
217.04997	1.0
219.02858	1.6
227.03436	0.4
229.04918	2.5
233.04489	0.6
241.04834	0.6
245.04440	7.0
247.06012	1.2
257.04474	3.5
259.05750	0.5
261.03983	2.1
262.04352	0.5
263.05493	2.4
269.04446	0.7
271.06146	0.6
273.03891	1.5
275.05423	2.8
285.03915	1.7
286.04745	0.6
287.05466	4.8
289.06796	0.5
299.05643	1.2
303.04974	100.0
304.05325	2.8
305.06558	1.6
315.04984	2.9
327.05109	0.8
349.32919	0.4
423.07037	2.3
435.07007	0.9
441.08179	17.5
442.08432	0.7
453.08243	3.4
465.07907	1.2
591.11310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43090	0.2
60.38441	0.2
69.48845	0.6
74.05703	0.2
76.38816	0.2
100.11267	0.3
118.01836	0.2
121.68170	0.2
139.03940	0.4
159.04178	16.4
160.04547	0.4
176.04460	0.4
177.05319	0.4
188.05800	0.2
204.03931	1.1
205.04727	2.5
242.05629	0.2
245.07907	1.4
271.09470	0.4
331.97055	0.3
343.11557	0.3
355.07007	0.3
367.11560	0.9
369.75311	0.2
379.11597	0.9
397.12570	5.0
398.13062	0.2
411.14230	0.5
412.14972	6.8
413.15500	0.9
425.15826	0.3
561.20795	0.2
609.23016	100.0
610.23376	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	609.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79776	0.7
55.05498	0.7
66.89200	0.6
69.07075	0.7
69.22305	0.7
69.68037	0.7
77.91173	0.6
87.66544	0.8
91.05815	2.0
98.22723	1.9
142.93483	0.8
146.15424	0.6
159.04170	15.0
164.36343	0.8
204.04033	1.0
205.04793	2.3
214.32603	0.8
239.09366	0.9
245.07906	1.6
355.07007	1.6
379.11636	1.0
397.12573	4.3
412.14966	9.0
413.15588	1.1
609.23010	100.0
610.23322	7.7
624.20465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79776	0.7
55.05498	0.7
66.89200	0.6
69.07075	0.7
69.22305	0.7
69.68037	0.7
77.91173	0.6
87.66544	0.8
91.05815	2.0
98.22723	1.9
142.93483	0.8
146.15424	0.6
159.04170	15.0
164.36343	0.8
204.04033	1.0
205.04793	2.3
214.32603	0.8
239.09366	0.9
245.07906	1.6
355.07007	1.6
379.11636	1.0
397.12573	4.3
412.14966	9.0
413.15588	1.1
609.23010	100.0
610.23322	7.7
624.20465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.05540	0.5
54.74010	0.3
56.67199	0.4
67.05508	0.5
69.09769	1.3
69.10194	1.7
81.07055	0.4
93.07058	0.7
98.23446	0.7
112.68081	0.4
145.66711	0.5
170.84027	0.4
204.06691	0.5
228.57982	0.4
234.22478	0.4
235.46904	0.4
239.11732	0.6
276.90527	0.4
376.16830	0.8
377.17462	2.1
379.19058	0.9
389.17484	0.6
390.18533	1.3
391.19235	2.6
392.20004	1.4
393.20804	1.4
403.19180	0.5
404.16013	0.7
405.16376	4.0
405.21109	1.6
406.17490	0.9
407.22458	5.2
408.23059	0.7
417.16669	0.8
418.17603	0.9
419.18307	5.2
420.19116	3.2
421.20181	2.9
433.15939	1.9
433.21112	5.4
434.21051	4.9
435.21750	10.6
436.22388	0.9
447.18262	3.7
447.22928	1.1
448.18826	1.3
449.19498	2.4
461.18723	1.9
462.20407	7.2
463.21194	5.8
464.22098	0.5
475.21411	3.7
476.22089	0.9
479.20685	1.0
489.22974	1.6
507.20456	1.2
517.22217	0.6
521.25745	8.4
534.22601	0.5
549.24939	30.4
550.25409	1.1
581.27490	2.2
609.27045	100.0
610.27295	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	609.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01879	2.3
55.05511	14.2
57.03431	2.9
57.07063	4.6
61.15747	1.5
61.35582	1.3
67.05505	15.3
69.03428	8.1
69.07069	100.0
70.07403	2.5
71.05000	2.4
73.02909	2.2
73.04765	1.9
79.05493	4.6
81.03408	5.2
81.07057	40.7
83.04986	2.2
83.08623	8.4
85.02908	11.5
85.06548	3.3
87.00810	4.5
91.05483	2.5
93.07054	12.9
94.52554	1.4
95.05000	2.9
95.08614	25.8
97.02883	5.1
97.06532	5.7
97.10191	4.1
99.04427	2.1
99.08086	4.6
101.06016	2.4
105.01849	4.9
105.07038	6.9
107.08570	14.0
109.02870	4.2
109.06502	3.2
109.10158	24.2
111.08094	2.6
111.11717	29.7
113.09643	1.6
119.08605	6.9
121.10156	11.9
123.04367	1.5
123.08063	3.4
123.11696	21.8
127.03912	8.7
127.11185	6.2
129.12730	1.7
131.08548	2.0
133.10121	4.6
135.11690	5.0
137.09633	2.3
137.13234	3.8
139.11174	21.0
145.04959	1.8
145.10086	3.1
147.11681	3.1
149.13266	5.6
151.14827	4.6
155.10616	2.3
157.12234	7.2
159.02902	1.7
159.11673	4.2
161.13229	5.5
163.14709	1.7
165.12714	2.9
173.13365	2.1
175.14842	2.4
177.05444	1.4
177.16440	1.7
179.14291	6.0
209.04416	1.8
237.18604	3.0
251.20073	2.7
283.03052	1.4
289.25266	7.6
295.26315	41.2
296.26688	4.3
307.26309	85.4
308.26584	8.2
325.27341	24.6
343.28491	3.6
346.37125	1.5
355.06927	2.3
371.33109	1.8
396.55096	1.8
415.28674	2.2
463.40356	1.3
609.21686	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	609.4528
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03957	1.3
55.01860	1.0
55.05508	11.7
56.24115	0.6
57.03432	2.9
57.07065	2.6
61.19894	0.7
65.03955	1.1
67.05503	22.5
69.07074	8.8
71.04976	1.6
71.08639	0.8
71.38041	1.0
73.04749	1.9
78.55669	0.7
79.05495	12.1
81.07052	19.2
83.04995	1.8
83.08628	5.9
85.06557	1.6
91.05458	11.4
93.07051	16.0
93.07610	1.3
95.04984	2.6
95.08600	16.1
97.06563	1.4
97.10185	2.5
101.65654	0.9
105.07024	13.0
107.08595	10.0
109.06564	1.1
109.10167	7.3
111.08094	1.8
115.05436	1.7
117.07023	7.5
119.08585	11.3
121.10100	5.8
123.11722	2.5
125.09634	0.8
128.06245	2.1
129.07010	9.9
131.08553	11.2
133.10143	8.0
135.11705	4.3
141.06996	4.5
142.07741	2.1
143.08536	11.9
143.09462	1.0
145.10126	12.7
145.11223	1.0
147.11635	6.0
149.13274	2.3
153.07051	1.6
154.07797	1.0
155.08540	9.1
156.09383	1.6
157.10120	12.8
159.11690	7.2
161.13293	3.1
163.14845	1.0
165.06941	0.9
167.08577	4.4
168.09326	1.9
169.10101	10.9
170.10861	1.2
171.11674	9.8
173.13252	4.3
175.14769	1.8
179.08598	2.2
181.10077	6.6
182.10947	1.9
183.11676	11.4
185.13216	7.4
187.14900	2.7
189.16479	1.2
193.10214	1.7
195.11705	6.9
196.12338	0.8
197.08035	2.1
197.13252	10.7
199.14775	5.4
201.16360	1.8
205.10016	0.9
207.11734	2.1
209.13249	6.4
211.14775	4.8
213.16406	3.9
221.13339	1.9
223.14783	4.5
225.16420	3.2
227.17979	1.9
229.33669	0.9
233.13312	1.1
235.14948	1.0
237.16472	3.2
239.17960	3.3
249.16463	1.0
251.17946	1.3
253.19574	1.0
263.18060	1.5
263.23953	0.9
265.19574	1.0
273.22156	1.0
277.19623	1.1
281.22858	0.8
291.21426	1.1
297.22153	1.0
307.20712	0.9
309.22183	1.2
311.07870	0.9
313.21652	1.1
323.23987	1.8
335.23630	1.1
337.25177	1.4
339.05951	0.8
349.25101	1.1
351.27011	1.9
353.24765	1.2
355.07013	1.4
363.26776	1.4
365.28467	1.3
379.26215	1.0
393.31732	1.0
405.31979	1.0
419.33112	1.1
429.23630	0.9
433.30569	1.0
447.32562	1.4
487.33997	1.1
499.39297	1.6
507.34299	0.8
517.40375	9.5
521.25006	1.7
535.41553	6.7
539.37384	1.8
581.25671	0.9
591.44092	12.2
592.44238	1.1
609.26135	13.3
609.45172	100.0
610.45776	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	610.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83215	0.3
69.46270	0.8
69.46656	0.8
73.04725	0.8
85.02877	0.5
88.77390	0.3
91.05801	1.8
93.06979	0.5
106.04536	0.3
110.99200	0.3
134.16652	0.3
152.06137	1.5
165.06944	1.0
180.05737	1.8
181.06413	0.5
192.05728	0.6
195.08055	2.2
196.05104	0.3
196.47572	0.4
208.05176	3.0
221.06061	0.7
222.06744	1.2
223.07516	1.6
224.04691	0.4
236.04665	1.0
239.07013	2.7
239.09285	0.7
240.07657	0.4
249.05482	1.0
251.07109	0.5
252.04221	5.2
256.22766	0.4
266.05679	0.4
267.06531	14.0
268.07034	0.6
273.52109	0.4
280.03815	1.8
285.00943	0.8
294.05219	0.4
295.06000	100.0
296.06448	4.2
299.06223	0.7
327.08624	66.2
328.08929	2.2
355.07010	1.9
402.96136	0.4
512.91962	0.4
539.19983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
57.03431	0.3
59.21462	0.1
61.02931	0.1
65.03941	3.3
69.03432	0.5
69.37525	0.6
73.04755	0.2
81.03410	0.2
81.74774	0.1
85.02898	1.5
86.98268	0.1
87.04469	0.2
91.05806	0.3
92.05006	10.6
93.05325	0.1
93.07076	0.2
97.02911	0.3
99.04453	0.2
103.03942	0.2
105.07031	0.2
108.16471	0.1
109.02887	0.3
110.06026	0.2
120.04466	100.0
121.02882	0.1
121.04813	1.5
127.03976	0.1
132.04538	0.2
133.02837	0.2
134.06059	0.3
135.04475	0.2
138.05482	1.4
145.04999	0.2
147.04419	0.2
149.02315	0.3
150.03127	0.4
162.05559	0.3
166.02609	0.2
175.03909	0.2
177.01845	0.6
180.06606	0.4
181.04944	0.7
191.03430	0.4
193.05014	0.1
194.02170	0.9
197.04608	0.2
198.05507	0.2
209.04451	5.9
219.06523	0.2
219.10066	0.1
222.07628	1.3
233.04370	0.3
240.08649	3.3
247.05933	0.2
251.05553	0.6
275.05569	0.4
282.09680	0.1
282.78156	0.1
285.00952	0.2
293.06616	0.6
299.06219	0.1
355.06815	0.3
369.26120	0.1
430.11169	0.3
448.12402	3.5
475.56644	0.1
610.23712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.395
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78495	1.1
65.03922	1.4
66.04704	1.3
67.05502	3.9
69.07084	0.9
69.70330	2.6
69.70689	1.3
75.06169	0.8
77.03931	0.9
78.67556	0.8
79.05504	5.4
79.05883	0.9
81.07045	2.7
88.35084	0.8
91.05465	2.6
93.07044	1.4
94.04148	1.6
95.04970	3.1
95.08609	1.9
97.06534	1.6
98.23439	0.9
103.05488	1.1
105.06995	1.6
107.04960	1.7
109.02911	1.5
109.06528	7.7
111.08047	1.0
121.06486	2.3
122.03636	2.7
123.04433	10.4
123.08029	1.6
123.61135	0.9
124.05193	1.6
125.06000	2.8
126.03118	1.9
133.06572	1.5
135.08093	1.2
136.05179	1.8
137.05972	33.0
138.03157	1.1
138.06752	1.1
139.03885	3.1
139.07542	5.1
140.04675	9.3
141.05481	2.8
148.05057	0.9
149.05974	1.2
151.03835	1.5
151.07545	6.8
151.94627	0.9
152.04669	2.2
152.08308	1.8
153.05457	12.8
153.09077	1.7
154.06212	2.5
155.07053	8.7
161.06036	2.3
161.09499	0.9
165.05490	1.8
165.09106	2.4
166.06290	4.4
167.03409	9.2
167.07036	15.7
168.04192	7.7
168.07822	5.9
169.04956	22.2
171.02899	4.2
171.06525	3.3
175.07555	1.3
177.09166	1.2
179.07079	5.8
181.04942	22.1
181.08582	10.2
182.05751	21.7
182.09351	1.5
183.02994	2.8
183.06529	100.0
184.07323	22.4
185.04449	0.9
186.05244	5.1
193.08626	7.0
193.12233	0.9
195.10258	1.5
196.07321	29.7
197.08104	21.8
198.05145	1.1
198.08907	9.3
199.09637	5.4
201.07458	1.2
207.10165	4.6
209.08055	2.4
210.08849	1.2
211.09650	53.7
212.10338	1.6
213.07585	3.6
213.11237	2.4
221.11707	2.0
223.09615	2.8
225.11127	1.8
227.09183	1.1
229.92371	0.9
237.11295	1.2
317.24918	1.4
331.22430	1.5
349.23383	1.1
363.25336	2.1
391.28445	5.3
465.26263	1.0
469.29681	1.4
487.30408	2.0
497.28949	6.5
501.31976	1.7
511.30093	1.4
529.31610	18.1
529.92072	0.8
530.31885	2.4
543.33051	2.9
546.31696	1.9
561.26282	1.4
561.34204	17.7
562.34375	2.3
575.35687	1.7
593.36755	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	611.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52486	0.6
50.62358	0.7
51.41590	0.6
55.93893	0.6
69.55762	1.5
69.56133	2.5
70.71069	0.7
79.07220	0.6
94.93006	2.1
127.03912	1.8
134.96115	2.7
139.03873	1.2
164.93552	3.6
176.93381	0.8
178.95064	2.0
179.03441	0.8
188.93454	0.9
193.93620	0.8
194.08353	0.7
202.89101	1.0
222.93977	0.8
239.85829	0.7
250.93520	2.7
268.94601	100.0
269.94974	0.9
381.07889	3.9
392.90771	0.7
611.17139	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	611.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93521	0.5
53.00306	0.7
53.03946	0.5
54.11086	0.5
55.01877	1.7
65.03943	1.3
67.01878	0.7
67.70400	0.5
68.99789	7.0
70.09088	1.4
79.05502	0.6
81.03397	2.5
93.03423	0.7
95.04965	0.7
99.04453	0.7
105.03413	0.9
107.04976	1.0
109.02881	3.4
111.00806	7.5
111.04435	1.9
119.04948	0.7
121.02863	2.0
123.04430	10.9
127.03913	100.0
128.04263	1.7
131.04901	1.3
131.07056	0.5
133.02859	2.1
135.04407	1.7
137.05896	0.8
139.03897	98.5
140.04230	1.6
147.04388	6.8
149.02338	2.0
149.06018	0.7
151.03900	32.0
152.04297	0.6
153.01787	1.1
153.05434	0.7
155.03380	1.7
157.06485	1.4
159.04378	1.4
161.02373	0.5
161.05946	1.1
163.03885	8.4
165.05463	2.1
167.03418	3.6
169.04921	2.0
171.04338	1.3
175.03912	14.8
177.05472	5.6
179.03389	40.3
180.03642	1.2
181.04965	4.5
183.04349	0.7
185.06003	1.0
187.03928	1.1
189.05504	3.8
191.03383	8.6
193.04942	3.7
195.06491	1.0
197.05940	1.4
199.03902	2.2
201.05498	4.1
203.03395	17.4
203.06970	0.7
203.76845	0.5
205.04913	2.1
211.03755	0.6
213.05501	3.8
215.03371	1.2
217.04926	4.0
219.06566	1.2
221.04379	0.8
225.05437	1.1
229.05016	4.7
231.06493	2.7
233.04387	5.5
241.04968	2.6
243.06721	0.6
245.04466	9.6
246.22070	0.6
247.06126	0.8
251.05472	1.4
253.04881	0.9
257.04456	9.6
258.04944	0.6
259.06042	2.7
263.05502	18.4
264.05740	0.6
269.04428	3.4
271.06000	2.9
275.05499	17.2
276.05945	1.0
287.05496	43.3
288.05685	1.6
289.07037	2.7
299.05515	16.5
305.03293	0.9
305.06540	12.4
307.04877	0.8
307.08118	10.5
313.06747	0.5
317.06546	20.9
407.07416	1.9
425.08658	21.8
426.08688	1.1
443.09763	12.4
449.08249	0.6
467.09564	1.8
611.16766	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65277	0.5
53.00291	0.5
55.01874	1.1
55.54261	0.4
55.79477	0.5
58.64319	0.4
65.03938	1.1
67.01884	0.6
68.99784	6.1
69.76663	1.2
69.77050	1.1
81.03414	3.4
91.05674	0.4
93.03407	0.7
95.04954	1.0
97.86151	0.5
99.04419	0.8
109.02884	3.9
111.00802	7.1
111.04445	1.5
115.05453	0.6
119.04899	1.0
121.02832	1.1
123.04427	10.6
127.03912	100.0
128.04248	1.5
131.04918	1.1
133.02838	2.4
135.04404	1.8
139.03896	74.0
140.04233	1.5
147.04405	6.2
149.02344	1.5
151.03897	27.5
152.04218	1.0
153.01826	1.1
155.03398	1.4
157.06512	1.0
159.04376	1.2
161.05907	1.2
163.03897	7.3
165.05498	1.3
167.03394	4.2
169.04939	1.4
169.06360	0.7
171.04396	0.8
175.03897	12.2
177.05458	4.6
179.03384	33.9
181.04918	2.9
185.05957	1.6
189.05466	2.0
191.03389	8.6
193.05008	3.0
197.05988	0.6
199.03915	1.8
201.05542	2.9
203.03392	14.1
205.04909	0.9
213.05461	3.7
217.04890	3.4
219.06569	0.7
225.05426	0.9
227.03432	0.5
228.71407	0.5
229.04970	3.1
231.06506	2.0
233.04398	3.4
241.04922	2.0
245.04456	6.6
247.05923	0.6
251.05527	0.7
253.04953	1.1
257.01938	0.7
257.04471	7.5
258.05045	0.8
259.05997	1.9
263.05499	14.0
269.04437	2.5
271.05927	1.6
275.05502	12.3
276.05865	0.6
281.04477	0.7
287.05493	37.6
288.05740	1.9
289.06940	2.3
299.05490	13.5
299.28986	0.6
305.06506	10.8
307.08096	9.4
311.05591	0.6
317.06540	15.3
319.08115	0.8
380.07578	0.6
407.07394	1.0
425.08652	15.7
443.09732	9.3
467.09567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1395
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
52.83520	0.5
53.00307	1.0
55.01871	1.5
65.03957	1.4
67.01864	0.8
68.99789	5.5
76.55315	0.5
78.08282	0.5
78.30907	0.6
81.03418	2.4
83.05037	0.6
95.04955	1.0
98.23427	0.6
99.04421	0.6
105.03385	0.9
109.02869	3.3
110.36508	0.5
111.00813	6.1
111.04452	1.5
121.02883	1.6
123.04429	8.9
127.03915	96.6
128.04298	1.6
131.04964	0.7
133.02870	2.4
135.04401	2.0
137.06012	0.6
139.03900	100.0
140.04219	2.5
145.02840	0.8
147.04399	5.0
148.28969	0.6
149.02347	2.1
151.03906	31.9
152.04263	1.3
153.01755	0.7
155.03419	1.7
157.06461	0.9
159.04419	1.9
161.05994	1.4
163.03896	7.4
165.05482	2.4
167.03403	4.8
169.04967	1.4
171.04372	1.3
175.03883	11.0
177.05446	5.0
179.03387	34.0
181.04942	5.1
183.04434	0.8
185.05995	1.6
187.03844	0.8
189.05511	3.0
191.03413	10.8
193.04970	2.9
197.06044	0.6
199.03975	2.3
201.05467	3.8
203.03395	17.2
205.04970	2.6
205.22687	0.6
213.05476	4.8
215.03357	1.2
217.05022	3.7
219.06465	1.2
225.05411	0.7
229.04944	4.7
230.05508	0.6
231.06514	2.6
233.04445	6.9
241.04956	1.8
245.04445	12.9
247.05980	1.3
251.05487	1.9
253.04860	1.1
257.04431	14.6
258.05035	1.1
259.05948	3.0
263.05511	20.1
269.04462	3.2
271.06036	2.1
275.05505	19.8
275.08554	1.0
276.05954	1.2
277.07004	0.9
287.05505	40.1
288.05872	1.9
289.07129	2.4
299.05502	14.9
301.06662	0.7
305.06561	12.7
306.06964	0.6
307.08081	11.2
317.06561	21.7
318.07095	1.3
319.08182	1.3
323.05429	0.9
329.06482	0.9
407.07761	2.9
425.08661	22.8
426.09186	1.6
437.08777	0.8
443.09760	16.1
444.10117	1.4
455.10028	0.8
467.09433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1398
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
53.00318	0.6
53.04638	0.5
53.88504	0.5
54.57375	0.5
55.01881	1.1
64.28954	0.6
65.03939	1.1
65.05081	0.5
67.05524	0.5
68.99786	6.3
70.46680	0.6
70.83123	1.0
79.05517	0.6
80.00259	0.6
80.87748	0.5
81.03433	3.0
89.41245	0.5
95.04983	1.5
99.04468	1.2
105.03391	1.3
107.04969	1.0
109.02887	4.3
111.00811	4.9
111.04427	1.0
119.04922	1.0
121.02859	1.6
122.77483	0.6
123.04430	10.9
127.03917	100.0
128.04250	2.3
133.02814	2.9
135.04419	1.4
139.03900	90.3
140.04269	1.4
145.02840	0.6
147.04391	3.7
149.02348	1.7
151.03903	31.6
152.04362	0.6
153.01871	0.7
153.47943	0.6
155.03394	4.7
159.04393	1.3
161.05983	1.0
163.03908	9.2
165.05441	1.7
167.03416	3.3
167.14323	0.6
168.79889	0.6
169.04958	2.2
171.04369	0.9
173.06015	0.8
175.03899	10.4
177.05522	3.3
178.13194	0.6
179.03395	30.4
181.04927	4.2
185.05991	1.3
189.05482	1.8
191.03380	6.1
193.05000	2.7
195.06532	0.7
199.03888	2.2
201.05437	2.3
203.03394	14.8
205.04912	2.1
213.05486	3.7
217.04945	3.6
219.06351	0.7
221.04364	0.9
223.06169	0.8
225.05453	0.8
227.03403	1.2
229.04974	3.4
231.06555	2.6
233.04460	5.0
241.04869	2.0
245.04440	8.9
247.05873	1.1
251.05550	0.8
253.04922	0.9
257.04434	9.3
258.05005	0.7
259.06021	3.5
263.05527	12.7
269.04401	2.2
271.05881	2.0
275.05490	14.3
276.05948	1.0
277.06964	1.9
287.05505	36.5
288.05893	1.5
289.06995	2.6
299.05545	10.2
305.06543	17.1
306.06995	0.6
307.04865	1.0
307.08115	12.6
317.06555	13.7
319.08002	1.1
358.27621	0.6
402.43347	0.7
407.07693	0.9
425.03543	0.8
425.08713	13.6
426.08368	0.7
441.38635	0.7
443.09744	12.1
444.09714	0.6
467.09592	1.2
596.84741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00309	1.0
55.01883	1.8
65.03952	1.9
67.01875	0.5
67.05494	0.8
68.99794	5.9
71.33950	0.7
75.11797	0.4
79.05482	0.6
81.03426	2.2
85.02918	0.9
91.05808	0.6
93.03395	0.5
95.04986	2.0
99.04465	1.3
105.03390	1.2
107.04952	1.6
109.02887	3.3
111.00816	6.7
111.04474	0.6
119.04972	0.8
121.02863	2.3
123.04428	10.8
127.03917	78.2
128.04280	1.1
129.07034	0.5
131.04942	1.1
133.02856	2.6
135.04411	4.3
137.02348	1.1
139.03900	100.0
140.04227	1.9
145.02852	0.6
145.06584	0.5
147.04401	6.8
149.02336	2.1
149.05966	0.7
151.03906	29.3
153.01797	0.7
153.05501	0.9
155.03369	1.6
155.04811	0.5
157.02852	0.6
157.06500	0.8
159.04401	2.3
161.05981	1.3
163.03918	13.5
165.05470	1.8
167.03378	1.9
167.04686	0.5
169.04979	1.5
171.04395	1.3
173.02383	0.5
173.05983	1.5
175.03905	16.3
176.04266	0.7
177.05495	5.1
179.03392	39.9
180.03766	0.9
181.04973	7.1
185.05937	1.6
187.03917	1.2
189.05481	4.0
191.03392	7.5
193.04970	6.1
195.06490	1.1
197.05936	0.9
199.03911	2.0
201.05519	3.0
203.03391	24.4
203.05309	1.2
203.06981	0.9
204.03691	0.8
205.04889	1.4
211.03941	0.6
213.05525	4.3
215.03368	1.2
217.04976	5.1
219.06471	1.2
221.04494	1.1
223.02292	0.5
227.03362	1.2
229.04982	5.5
231.06560	2.9
233.04430	2.2
239.09346	0.6
241.04930	4.3
243.06512	0.9
245.04457	15.0
246.04791	0.7
247.06102	1.2
253.04924	1.0
255.05357	0.6
257.04434	17.3
258.05103	1.5
259.06073	3.3
263.05533	7.8
269.04428	4.6
271.06094	3.7
275.05502	16.9
276.05762	0.7
277.07135	0.8
281.04352	1.5
282.53964	0.5
283.05725	0.6
287.05502	57.1
288.05878	2.5
289.07227	3.2
295.06046	0.7
299.02106	0.9
299.05493	17.4
300.05826	1.0
301.06912	0.8
303.04892	0.6
305.06528	7.7
307.08099	5.7
311.05396	1.5
317.06564	12.5
318.06827	1.1
319.08139	1.4
329.06427	1.1
330.36880	0.5
349.09021	0.8
355.06882	0.9
356.06863	0.8
407.07330	1.0
425.08694	26.0
426.09338	2.3
437.08694	2.5
443.09692	7.7
444.09848	0.8
449.08310	1.4
455.09647	2.7
467.09708	5.6
485.10413	1.1
611.12701	1.0
618.79547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00313	1.2
53.03961	0.4
55.01884	0.8
65.03943	2.1
67.05492	0.8
68.99794	4.4
79.05493	0.5
81.03419	2.3
85.02911	1.2
89.03899	0.6
93.03417	0.6
95.04987	1.3
97.02898	0.5
99.04475	0.8
105.03415	0.6
107.04949	1.1
109.02881	2.4
111.00806	4.7
111.04432	1.2
115.05467	0.5
119.04969	1.0
121.02865	2.1
123.04427	8.4
127.03914	55.7
128.04245	0.4
131.04889	0.9
133.02882	2.2
135.04419	4.2
136.94582	0.4
137.02333	0.5
139.03897	100.0
140.04247	2.0
145.02820	1.0
145.06471	0.7
147.04399	6.2
147.34624	0.4
149.02341	1.6
149.06009	0.5
151.03902	24.3
153.01782	0.9
153.05507	0.7
155.03374	1.6
157.06519	0.6
159.04474	2.3
161.05971	1.4
163.03902	13.2
164.04114	0.4
165.05453	1.2
167.03394	1.1
169.04974	1.3
169.06377	0.7
171.04422	1.6
173.05939	1.1
175.03899	10.9
177.05466	4.3
179.03392	31.3
180.03818	0.5
181.04958	6.4
185.05954	1.4
187.03894	1.1
189.05460	3.7
191.03384	5.6
193.04955	6.3
194.05261	0.4
195.06529	1.0
197.06046	0.9
199.03957	2.0
200.04469	0.4
201.05470	3.2
203.03384	20.2
203.06953	0.8
204.03728	0.6
205.05014	2.1
205.06723	0.5
211.03888	0.6
213.05469	4.1
215.03366	1.0
215.07001	0.6
217.04971	4.5
219.06587	0.7
221.04431	0.7
223.05937	0.6
225.05405	0.6
229.04984	4.8
231.06528	2.7
233.04451	1.7
237.05302	0.6
238.78287	0.4
241.04945	3.3
243.06493	0.5
245.04431	14.8
247.06087	0.5
250.84419	0.5
253.04927	1.1
257.04425	18.6
258.05289	2.4
259.05994	3.0
263.05502	8.3
269.04395	3.4
271.05994	4.2
275.05496	15.1
276.05792	0.6
277.06979	0.7
281.04346	1.2
283.05881	0.6
285.03754	0.5
287.05496	48.6
288.05832	1.9
289.07114	2.5
299.05493	16.5
300.05789	0.8
301.07040	0.9
303.04959	0.6
305.06540	6.6
307.08102	6.4
311.05414	1.9
317.06564	12.5
318.06720	0.5
319.08066	0.9
322.81921	0.4
329.06497	1.0
331.08023	0.5
349.08981	0.7
368.54578	0.5
407.07462	1.5
425.08655	30.0
426.08755	1.3
437.08792	2.0
443.09708	7.1
449.08554	1.9
455.09760	2.6
467.09695	4.9
485.10208	1.2
611.13098	1.1
620.79614	0.4
632.44727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.2
55.01873	1.4
56.96571	0.6
65.03936	1.1
66.34383	0.5
68.99784	5.8
69.77911	2.2
81.03424	2.3
91.05841	0.6
93.03387	0.8
95.04969	1.9
104.05129	0.7
105.03390	0.8
107.04936	1.3
109.02901	3.1
111.00798	5.9
111.04459	1.5
121.02897	2.4
123.04433	6.0
127.03912	38.8
131.04948	1.2
133.02840	3.4
135.04433	5.4
139.03899	100.0
140.04230	1.8
145.02786	0.6
145.06499	0.7
147.04417	4.7
149.02357	4.1
149.05952	0.7
151.03896	28.8
153.01796	0.8
153.05472	1.4
155.03372	2.8
157.06464	1.0
159.04434	1.3
161.05998	1.8
163.03903	19.5
165.05540	1.3
167.03389	1.6
169.04945	1.5
171.04443	2.3
173.05971	1.1
175.03915	7.6
177.05443	4.7
179.03392	28.5
180.03735	0.8
181.04959	7.7
187.03940	1.1
189.05457	4.2
191.03360	4.7
193.04967	5.6
195.06523	1.6
197.05988	1.1
199.03943	3.3
201.05640	2.9
203.03404	14.3
205.05011	1.8
211.02859	1.0
213.05450	4.1
215.03368	0.9
217.05013	6.0
219.06563	0.7
221.04530	1.2
227.03506	1.2
229.03931	3.4
231.06499	3.6
233.04448	1.7
237.04364	2.6
239.09592	0.9
241.04950	2.5
245.04456	15.2
247.05948	1.5
253.04860	0.8
255.05293	4.0
257.04428	14.7
259.06049	2.6
263.05499	18.8
263.08160	1.4
264.05862	1.0
269.04459	3.7
271.06049	4.0
273.06296	0.8
275.05475	16.5
277.07135	1.0
281.04559	1.5
283.05087	2.1
287.05487	30.7
288.05945	0.8
289.07043	3.7
299.05530	13.2
301.05960	4.5
305.06592	7.1
307.08084	4.4
311.05493	2.2
317.06567	11.3
319.08020	3.4
329.06580	1.6
349.09293	2.2
367.09845	1.0
407.07602	2.1
425.08636	20.2
426.08826	0.8
437.08612	1.1
443.09647	5.4
449.08929	3.0
467.09778	5.7
485.10974	1.4
539.10010	0.8
575.11621	1.2
589.02979	0.7
611.13654	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Rutine
Peak:m/z	Relative Intensity
52.99566	0.3
55.01870	0.4
57.03446	1.6
58.89608	0.3
68.99796	0.5
69.03419	0.9
71.04994	11.3
73.02895	0.3
73.04739	0.3
75.04483	0.6
81.03418	0.3
83.04976	0.4
85.02912	16.0
87.04462	0.4
91.05800	0.7
94.94700	0.3
97.02902	1.7
99.04472	0.4
109.02899	0.5
111.00826	0.7
121.02876	0.9
127.03911	1.3
128.90863	0.3
129.05484	2.9
137.02344	2.2
139.03894	1.2
142.46815	0.3
145.04953	1.2
145.06453	0.3
147.06540	1.0
149.02335	0.4
149.12883	0.3
151.03888	0.4
153.01852	2.9
161.05995	0.3
163.03883	0.8
165.01817	1.5
169.98412	0.3
183.02901	1.0
191.03375	0.4
201.05482	1.3
205.04889	0.4
210.54256	0.3
219.06624	0.5
229.04973	3.3
247.06058	0.6
257.04489	2.7
274.04681	0.8
285.03879	0.8
303.04993	100.0
304.05347	3.7
318.51083	0.3
356.07269	0.4
386.87497	0.3
401.93134	0.3
465.10330	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	612.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03936	2.5
55.01864	1.3
57.03424	1.7
57.14099	0.6
61.02948	0.6
69.03418	3.0
70.68153	1.0
73.02925	0.8
73.04749	0.8
77.03934	2.6
79.05495	1.7
81.03397	2.0
81.07049	1.3
85.02903	17.5
85.26368	0.7
95.04971	10.1
97.02877	1.7
103.03960	3.9
105.03394	100.0
105.04402	5.2
106.03700	1.4
109.02836	0.7
119.04922	1.0
121.02882	0.7
123.04441	2.2
131.04936	1.9
133.02850	4.2
135.11716	0.8
137.02312	1.1
137.06003	0.9
138.03122	0.7
139.03926	1.2
147.04408	2.6
149.02345	1.5
150.03130	3.8
153.05489	1.5
159.04446	3.5
161.06056	0.7
162.03096	1.0
163.03960	1.1
165.05493	10.1
166.02640	1.3
169.04971	0.8
171.04425	1.7
175.03909	3.6
176.04716	2.8
177.01851	11.0
177.05463	3.3
179.03407	2.6
181.04959	17.4
187.03902	3.1
190.02521	1.0
191.03384	5.4
193.04945	2.9
194.02110	4.4
195.02971	3.4
197.04425	3.4
199.03893	4.6
201.05411	1.1
203.03467	0.7
204.04175	2.3
205.04968	11.6
206.02113	0.7
207.02963	1.6
207.06535	8.9
209.04449	54.5
215.03366	2.8
216.04224	2.8
217.04880	1.0
218.02019	1.4
219.02884	3.0
219.06503	4.5
221.04445	6.1
223.06105	1.2
229.04965	2.7
231.02950	0.9
231.06511	1.1
232.03748	2.6
233.04456	13.5
235.06010	2.0
243.02925	2.8
245.04410	0.8
247.05984	7.9
251.05499	24.4
257.04495	4.8
260.03192	2.9
263.02979	1.2
263.05527	9.4
275.05505	33.8
276.05969	0.8
281.06467	2.3
285.07602	0.9
293.03201	1.4
293.06537	26.1
311.07538	2.9
360.50513	0.8
397.09152	3.3
415.10361	3.1
433.11316	25.6
433.17221	1.6
434.11459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.5
53.03955	2.9
55.01871	3.0
55.05509	2.4
57.03444	3.2
58.15252	1.3
65.01960	1.1
67.05509	4.5
69.03424	9.8
69.07068	3.3
72.06441	1.1
73.02918	2.0
73.04762	1.8
79.05508	3.0
81.03423	5.1
81.07059	9.9
83.04946	1.2
83.64866	1.3
85.02909	17.0
85.06538	3.3
87.04488	2.9
91.03975	1.5
91.05455	2.0
93.07056	5.3
95.04959	8.4
95.08605	5.8
97.02914	4.2
97.06549	1.6
97.10147	1.2
99.04474	2.5
99.08103	1.5
103.05502	1.4
104.96138	1.2
105.03394	83.5
105.04532	4.2
105.07035	2.0
107.04963	1.4
107.08607	3.6
109.02924	2.3
109.10157	3.6
118.06588	1.2
119.04945	5.0
121.10175	2.3
123.04422	1.7
127.03930	4.6
131.04900	3.3
133.02806	2.7
135.04456	2.1
145.04971	2.7
147.04449	7.1
149.04626	1.3
149.13251	3.6
150.03178	2.0
151.03923	2.9
153.04347	1.4
153.05418	6.3
159.04437	6.3
162.03180	3.1
163.03883	6.8
165.05486	2.2
167.03375	3.0
167.07047	2.1
174.03159	1.2
175.03906	13.0
176.04668	5.0
177.05476	7.1
178.02621	4.7
179.03366	8.0
179.07071	2.6
180.00571	3.3
181.04935	3.0
187.03853	6.3
189.05478	3.0
190.02612	3.7
191.03401	30.3
191.07030	4.0
192.04147	2.5
193.01387	1.6
193.04968	11.5
195.02879	25.7
195.06567	2.1
195.95595	1.4
197.04462	17.2
199.03926	1.7
201.01822	1.4
202.02708	1.9
203.03433	1.7
204.04161	2.6
205.04965	22.7
206.01859	1.1
207.02968	4.8
207.06540	11.8
209.04453	17.6
211.02356	3.1
215.03403	5.4
216.30698	1.2
217.05020	4.7
218.02144	2.7
219.02939	4.0
219.06448	9.9
220.03780	1.3
221.04390	9.1
221.07854	1.3
223.02472	3.8
223.05995	11.4
225.03912	3.0
227.03493	2.3
229.04997	2.9
230.02159	2.3
231.02791	1.4
233.04434	37.7
235.06047	9.7
237.04111	1.5
243.03102	1.3
245.04449	12.9
247.05988	12.6
251.05508	58.3
257.04510	3.0
263.05511	100.0
264.05844	2.2
269.17432	7.5
270.17902	4.1
272.20193	6.5
275.05487	25.2
275.08255	2.3
281.06570	10.7
291.26877	1.8
293.06570	29.9
311.07605	33.9
328.28937	1.4
346.23679	1.4
415.10059	3.1
433.11264	29.3
502.81409	1.3
612.25647	2.2
612.33936	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	612.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42699	0.6
53.03951	0.8
69.58365	1.4
79.05481	1.0
81.03398	1.0
85.02897	4.5
91.05465	3.7
93.07037	0.6
95.04990	1.1
97.02898	1.2
101.64272	0.7
103.05466	1.3
105.03399	6.5
105.07037	1.1
106.52026	0.6
107.04932	0.9
107.27063	0.6
108.18108	0.7
115.05450	3.1
118.04139	1.7
119.04950	3.5
121.06496	0.7
127.03923	1.7
129.03366	2.4
129.36801	0.7
131.04939	2.6
133.06494	1.5
145.05003	1.5
146.03648	3.1
146.43120	0.6
147.04411	60.2
148.04764	1.4
149.06107	0.9
151.07530	0.8
154.51376	0.7
157.02869	6.8
159.04396	2.4
161.05984	21.0
165.05475	10.7
175.03911	100.0
176.04276	2.2
177.05432	2.0
179.07019	6.1
181.08623	5.2
189.05469	71.0
190.05815	1.6
193.05043	3.9
194.02168	0.7
207.06528	67.0
208.06906	1.1
209.04561	2.4
209.08096	5.4
225.07649	2.1
253.07076	67.6
254.07362	1.5
271.08118	31.8
355.19577	0.7
474.34125	0.6
477.21075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01859	3.2
57.03424	1.9
61.02916	2.8
65.03944	0.7
67.05509	1.9
68.99793	1.1
69.03435	6.1
69.07072	5.6
69.67783	0.6
69.68375	1.0
69.68758	1.3
71.04999	1.0
73.02919	0.8
76.59709	0.7
79.05457	0.8
79.88860	0.6
81.03405	2.8
81.07045	5.6
85.02906	28.6
91.03936	1.9
91.05451	9.7
93.07001	1.7
95.05001	0.9
97.02888	8.3
97.06526	2.2
99.04438	1.0
103.03938	0.9
105.07065	1.1
107.04952	1.5
109.02885	3.5
109.10176	0.7
111.04409	4.0
111.08064	3.2
115.03944	1.2
115.05518	0.7
117.07016	2.1
119.08572	3.2
121.06507	1.4
123.04432	11.1
127.03924	9.2
129.07033	4.3
131.08560	1.5
133.02870	0.9
133.06491	1.0
133.10121	1.7
135.08025	0.8
137.05954	2.4
137.09633	1.1
139.03900	33.9
140.04382	0.6
143.08533	1.9
145.04951	14.4
145.06468	2.9
147.04402	3.0
147.08067	5.9
149.02324	1.1
149.05952	1.0
149.09590	1.7
151.03902	4.8
151.07524	1.1
153.01794	0.9
153.05414	0.8
153.06982	1.4
153.99294	0.7
155.03381	10.7
155.07050	1.8
157.06483	4.2
159.04434	0.8
159.08067	5.4
160.05220	1.1
161.05975	4.5
161.09598	3.9
163.03918	3.3
163.06049	5.9
163.07358	1.0
165.01807	2.1
165.05444	5.7
165.09074	2.2
167.03419	2.2
171.02960	0.8
171.08051	9.7
173.05936	1.3
175.03964	0.8
175.07541	6.7
177.05513	2.5
177.09102	6.8
179.03372	5.3
179.06900	1.3
179.10684	4.8
181.06506	1.5
189.05432	1.6
189.09103	9.7
191.03441	0.9
191.07091	6.4
191.10611	1.5
193.04926	0.9
193.08591	3.6
193.63779	0.7
199.07536	10.8
199.14853	1.0
205.04955	0.9
207.10165	30.3
217.05144	1.9
217.08601	40.9
217.15858	1.3
218.08878	1.2
221.04620	1.3
221.08093	10.3
231.06383	1.1
231.10179	1.0
234.05049	0.6
235.09657	40.6
235.16830	0.8
236.09920	1.0
239.09106	8.9
245.04350	1.0
249.07617	4.6
253.10713	100.0
254.11041	2.3
257.09967	1.0
263.05679	1.0
271.11755	17.4
273.11224	0.8
277.10733	1.4
283.09387	1.0
288.05869	0.7
301.10617	2.0
319.11807	1.9
325.11176	2.9
337.12881	6.7
343.11789	2.3
357.06705	1.4
361.12775	4.4
379.13837	2.6
572.75977	0.7
609.86383	0.8
643.66510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01872	3.5
57.03442	2.9
57.59878	1.0
61.02932	5.1
65.03956	1.2
67.05498	2.0
68.99790	1.1
69.03432	10.9
69.07064	5.7
69.39622	4.8
71.04996	2.0
71.79958	1.0
73.02919	2.6
73.04758	1.4
79.05466	2.0
81.03416	4.1
81.07036	5.1
83.75858	1.0
85.02903	44.8
85.03422	2.2
87.04409	1.0
91.03968	2.8
91.05471	18.6
93.07050	1.7
97.02892	12.7
97.06550	1.4
99.04447	1.7
100.95149	1.1
105.07031	2.2
109.02850	6.1
111.04446	4.2
111.08091	4.5
115.03881	1.4
117.07034	2.6
119.08613	3.1
123.04436	11.5
127.03910	13.8
128.06219	1.3
129.07040	3.9
131.08562	1.3
133.10143	2.2
137.05966	1.8
139.03900	35.5
140.04274	1.3
143.08589	2.8
145.04962	21.0
145.06335	2.1
147.04382	2.6
147.08014	5.4
149.06003	1.3
151.03911	4.6
153.06978	1.5
155.03410	10.5
155.07037	2.5
157.06512	3.1
159.08076	7.1
161.06013	4.1
161.09671	5.7
163.03902	2.6
163.06013	11.1
165.01854	1.9
165.05490	8.3
166.96439	1.1
167.03392	2.0
171.08057	8.6
173.05914	1.8
175.07567	7.1
177.05522	2.6
177.09126	9.8
179.03416	4.7
179.10634	6.3
181.06470	1.5
189.05518	2.7
189.09093	9.1
191.07074	5.6
191.10820	1.2
193.08627	3.1
199.07515	12.1
203.61621	1.2
205.04933	2.1
207.10156	33.1
208.10510	1.3
217.05246	1.6
217.08601	42.3
217.15820	2.2
221.04567	2.1
221.08090	10.4
231.06500	1.7
235.09639	38.9
239.09138	6.0
249.07594	3.2
253.10706	100.0
261.51062	1.1
263.05258	1.2
271.11749	16.3
273.11224	1.2
301.10873	1.6
319.11752	1.7
325.11221	4.5
337.12814	6.2
343.11673	2.3
357.06894	2.4
361.12772	3.5
379.13654	2.1
418.99692	1.1
420.54858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43876	1.0
53.03946	1.8
54.09343	1.1
55.05511	4.0
64.51623	1.0
65.03956	2.5
67.05505	5.3
69.07072	2.9
69.10230	1.8
69.10635	5.3
79.05488	9.2
79.36320	1.0
81.07055	7.9
83.08627	2.6
85.06561	1.1
91.05447	6.4
93.07061	5.9
94.04169	2.0
95.04966	6.2
95.08604	3.9
96.05772	1.4
97.06544	2.5
98.23505	2.0
99.04465	2.0
105.04562	1.4
105.07047	3.8
107.04964	6.9
109.06508	9.5
109.10152	1.6
111.08065	1.6
113.06023	1.3
115.05488	1.3
117.07027	3.5
119.08619	1.6
121.06506	9.1
121.10101	1.6
122.03702	1.9
123.04433	8.3
124.05213	2.2
124.57799	1.1
125.05998	8.0
126.03172	2.1
127.03957	1.8
128.06323	1.5
129.06990	1.1
131.04967	1.7
131.08566	1.8
133.06509	2.5
135.08046	1.6
136.05205	1.9
137.05984	45.3
138.03123	1.8
138.06746	1.5
139.03938	3.0
139.07549	14.7
140.04678	6.0
141.05464	3.1
143.08594	1.6
145.06473	3.3
145.10123	2.2
147.04446	1.7
147.07997	1.1
149.06024	3.3
151.03918	2.0
151.07573	9.1
152.04727	7.1
153.05476	27.2
153.09132	2.5
154.02615	1.8
154.06241	1.5
155.03427	5.1
155.07047	8.4
155.08275	1.6
156.04143	5.6
157.10188	1.3
161.05978	4.8
163.07578	4.1
165.05554	1.3
165.09149	2.3
166.06326	3.1
167.07045	90.8
168.04196	8.5
168.07501	2.0
169.04984	28.1
169.06436	1.6
169.08687	2.3
170.05713	9.0
171.02919	8.2
171.06578	6.2
171.07930	1.3
173.06021	2.1
175.07611	2.4
176.04669	1.2
177.05548	6.1
177.09148	4.5
179.07054	5.4
181.05003	3.0
181.08595	17.9
182.05743	3.7
182.09027	1.2
183.03033	7.0
183.06535	100.0
184.03629	1.6
184.07181	2.5
185.04485	3.3
185.08008	1.6
186.05252	14.2
187.07544	2.0
189.09084	1.3
191.07007	5.2
191.10657	1.7
193.05020	2.0
193.08589	7.4
195.06540	2.6
196.07379	1.8
197.08104	17.7
198.05208	8.3
199.06033	14.7
201.07567	2.6
205.08601	3.2
207.10182	3.1
209.08104	15.4
211.09718	2.5
213.07571	50.5
214.07883	1.4
219.10143	1.6
221.08102	1.4
223.09680	7.5
329.21045	1.6
333.24033	1.2
347.22266	2.1
357.07065	1.4
361.23834	4.5
363.25342	1.4
439.24814	1.4
467.24213	3.0
471.27435	5.1
481.25824	3.3
499.26889	16.6
503.30194	2.1
513.28302	6.1
531.29535	25.2
545.30591	2.3
563.32196	14.7
595.34528	4.3
612.47693	2.3
613.30383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46890	1.2
55.05507	2.0
56.96564	34.1
67.05489	3.0
69.07063	1.1
79.05480	3.0
81.03422	2.6
81.07056	4.6
83.08637	1.3
84.96033	3.8
91.05459	1.9
93.07034	3.2
93.86900	1.1
95.08598	2.1
97.96832	2.5
98.91940	1.6
98.97578	86.9
105.07042	2.1
107.08618	1.5
109.10143	1.2
110.97569	6.0
112.99128	31.4
115.97826	1.3
116.98617	33.1
119.08572	1.6
124.99110	3.3
128.98569	5.5
131.00163	50.2
134.99666	8.7
135.11794	1.0
140.00197	5.7
140.98610	2.8
143.00154	12.2
144.98103	1.4
146.99652	5.1
147.11644	1.2
149.01219	27.9
154.01726	3.9
155.00159	1.0
158.01280	1.3
158.99649	41.8
161.01210	8.8
167.02341	5.9
168.92462	1.1
170.29529	0.9
170.99640	3.0
171.17960	0.9
172.02769	2.2
173.01247	7.9
175.02812	2.8
177.00700	39.9
181.31700	1.0
182.01257	1.3
185.01225	5.3
189.00720	4.0
191.02267	7.1
193.12366	1.5
195.01762	3.1
199.02766	11.0
200.02316	5.2
201.00722	1.7
203.02222	6.1
209.01282	2.6
211.13280	3.3
214.03909	1.3
215.02322	4.3
217.03923	6.2
219.01726	10.4
227.02255	2.4
233.03223	2.4
237.02841	5.8
240.05582	1.1
255.03873	2.0
275.04343	20.1
285.17050	1.7
293.05420	55.3
311.06445	11.3
316.06967	7.7
317.17856	98.0
318.18277	3.3
334.08044	3.4
335.18912	33.2
337.27390	1.6
358.20432	10.0
377.19940	8.6
391.21548	3.5
403.21335	1.5
479.29932	1.6
480.30252	1.6
497.24112	6.7
537.30182	1.3
553.26837	100.0
554.27124	4.3
591.94263	1.1
613.31158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	36.0
66.59531	0.8
67.05488	1.3
71.95245	1.8
79.05469	1.0
81.07020	1.3
83.08605	1.0
84.96029	3.7
85.58069	0.8
95.08566	1.0
97.96777	1.2
98.97578	84.9
110.97570	6.3
112.98347	1.8
112.99125	34.1
115.97805	1.2
116.98618	33.1
124.04506	0.8
124.99120	3.0
126.97049	1.0
128.98593	7.1
131.00165	41.6
133.10016	0.8
134.99673	7.2
140.00208	5.2
140.98560	2.4
143.00159	9.9
144.98117	1.7
146.99663	3.1
149.01218	27.6
152.98572	1.4
154.01721	4.4
155.00134	1.5
157.01697	1.3
158.01270	2.0
158.99644	37.6
161.01218	8.6
162.99173	1.3
166.01752	1.1
167.02267	2.8
170.99658	3.2
172.02812	3.5
173.01227	5.2
175.02704	1.6
177.00708	33.9
179.02266	1.5
185.01184	4.5
187.02722	1.0
189.00661	3.4
191.02235	4.5
195.01767	2.9
199.02747	8.4
200.02249	6.3
203.02264	4.5
209.01237	3.3
215.02309	4.2
217.03751	5.4
219.01770	9.2
227.02226	2.5
227.09627	0.9
233.03290	2.1
237.02806	5.7
252.44304	0.8
255.03899	1.9
260.04379	1.1
275.04358	18.7
291.03809	1.2
293.05408	56.3
294.05731	0.9
311.06458	9.0
316.06964	8.7
317.17850	100.0
318.18311	3.8
331.19232	1.2
334.07999	3.0
335.18884	31.1
336.19061	1.0
358.20416	10.1
359.19675	1.1
373.20389	1.0
377.19968	9.7
391.21426	3.5
403.21585	2.4
497.24069	4.3
535.25677	1.0
553.26813	77.6
554.27454	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	614.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01873	0.8
58.85708	0.4
61.02916	0.6
68.99774	0.7
69.03426	2.0
69.70885	0.4
71.04984	0.5
73.02907	0.7
79.05482	1.5
81.03398	0.9
81.07047	0.4
85.02904	6.5
87.00839	0.5
91.05471	0.7
93.03406	1.2
93.07045	0.9
95.04966	0.9
96.23419	0.4
97.02875	2.2
101.06021	0.5
103.05484	0.8
107.04960	5.7
108.22830	0.4
109.02923	0.4
109.06501	0.6
121.06494	1.6
123.04366	0.4
127.03915	1.6
131.04929	7.8
135.04427	1.3
137.05968	0.9
139.03915	3.0
139.07536	2.1
145.04987	1.4
147.04382	1.5
149.05986	4.0
151.03902	1.2
155.03387	2.0
159.04416	17.2
163.03902	16.2
163.05977	0.8
165.05446	0.4
167.07037	19.9
169.04965	1.0
175.03856	0.5
177.05476	26.1
178.05913	0.6
179.03392	15.4
179.06924	0.5
180.08638	1.0
181.04935	6.3
183.02864	1.7
185.04446	1.9
187.03804	0.5
193.04961	8.5
195.06523	23.6
198.05243	3.6
205.04965	11.0
211.05984	5.0
213.07574	51.8
214.07910	1.1
222.05380	0.4
223.06009	100.0
224.06325	1.7
227.09023	0.6
237.07538	2.9
241.07086	5.5
255.08630	44.3
256.08768	0.8
273.09686	44.6
274.10077	0.6
327.99039	0.4
557.98083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01866	1.0
57.03424	0.6
61.02900	0.8
65.20889	0.2
67.05489	0.6
68.99777	0.4
69.03412	1.1
69.16783	0.2
69.40786	0.5
69.41193	1.0
71.04982	0.5
72.50683	0.2
73.02901	0.4
75.25951	0.3
79.05480	1.5
79.70982	0.3
81.03387	0.8
81.07046	0.3
83.04975	0.5
85.02898	6.0
87.00791	0.3
91.03959	0.4
91.05456	0.5
93.03404	1.3
93.07036	0.7
95.04958	0.8
97.02888	2.0
99.04457	0.4
99.87486	0.3
101.06002	0.3
103.05444	1.2
105.03391	0.5
107.04951	6.3
109.02870	0.6
109.06458	0.5
117.03390	0.6
119.04946	0.5
121.06516	2.0
123.04462	0.4
125.05924	0.3
127.03902	1.3
131.04919	7.2
133.02823	0.4
135.04378	1.9
139.03888	4.0
139.07512	0.5
141.01871	0.5
145.04936	2.0
147.04361	1.8
149.05975	3.9
151.03871	1.0
155.03401	1.7
159.04411	19.7
161.05960	0.5
162.07489	0.2
163.03899	16.6
163.05969	0.6
164.04173	0.3
165.05389	0.8
167.03342	0.6
167.07039	4.0
169.04935	0.5
172.03685	0.4
175.03935	0.9
177.05461	26.8
178.05788	0.6
179.03387	15.2
179.06917	0.5
181.01282	0.3
181.04959	8.3
182.05267	0.3
185.04437	1.9
186.87952	0.3
187.03935	0.3
190.05907	0.3
193.04961	8.8
195.02829	1.2
195.06519	22.2
196.06914	0.3
199.05942	0.3
205.04962	10.2
206.05421	0.4
208.03587	0.3
209.08098	0.7
211.06013	5.8
213.07536	2.8
223.06001	100.0
224.06332	1.7
237.07515	1.6
241.07071	5.2
255.08623	42.6
256.09006	0.7
270.55673	0.3
273.09677	24.5
274.09985	0.6
290.14249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
62.28720	0.7
69.03432	2.2
69.44494	3.5
81.03422	1.0
83.01348	1.5
85.02910	6.2
87.68634	0.7
93.07058	1.1
95.04932	1.0
97.02881	2.4
107.04939	2.0
109.02867	1.2
112.72195	0.6
123.04391	2.1
125.06014	1.8
127.03899	2.6
128.50734	0.7
131.04915	1.2
135.04407	1.8
137.05965	1.8
138.71893	0.8
139.03908	9.0
140.04256	1.7
140.59637	0.7
141.05496	0.9
145.04951	2.6
149.05983	3.7
151.03893	1.7
152.04361	0.8
153.05429	4.0
159.04405	2.6
163.03893	9.9
165.05457	2.6
167.03352	2.5
167.07034	2.5
169.04965	2.5
177.05487	27.0
179.03421	3.4
181.04965	4.8
191.07069	4.5
193.04976	13.5
195.06528	9.3
203.03316	1.0
205.04985	1.6
211.06010	4.1
213.07666	4.3
219.06526	19.6
221.08125	1.0
223.06026	18.4
237.07578	100.0
238.07915	2.4
241.07173	1.3
244.00745	0.8
255.08664	7.3
273.09665	5.8
301.06104	0.9
428.09363	1.4
432.99319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29411	0.6
53.03923	1.0
55.01860	2.1
57.03426	1.0
59.84699	0.6
61.02900	1.5
65.52244	0.6
67.05477	1.2
68.99782	0.9
69.03429	3.5
69.47284	2.5
71.05004	0.7
76.22768	0.6
77.03917	0.9
79.05467	2.3
81.03408	1.9
81.07034	1.2
85.02900	13.2
87.92636	0.7
88.61617	0.6
91.03952	0.6
91.05476	1.4
93.03388	3.7
95.04961	2.4
97.02890	4.5
99.04419	0.7
103.05451	2.5
104.58696	0.6
105.03404	1.3
105.07018	1.4
107.04944	5.4
109.02844	1.5
109.06504	3.0
115.05477	1.2
121.06498	2.6
122.03584	0.8
123.04416	1.5
125.05989	4.3
127.03941	2.1
131.04919	27.8
133.02834	0.9
133.06462	2.1
135.04385	0.9
137.05981	4.7
139.03928	4.6
141.01823	1.1
143.03503	0.6
143.04961	1.1
145.04910	3.2
147.04390	3.8
147.08005	0.7
149.05986	7.6
149.85356	0.7
151.03883	2.8
151.07555	1.5
153.05441	2.8
155.03316	0.9
155.07030	1.4
159.04414	70.0
160.04773	0.8
161.05977	2.8
163.03905	19.9
163.06026	1.4
163.07495	1.5
164.04112	0.6
165.05438	2.0
167.07065	4.1
169.04987	2.5
170.02110	1.3
173.04518	1.2
175.03949	1.3
176.04770	0.8
177.05466	49.1
178.02539	1.2
178.05927	1.0
179.03391	22.4
179.07025	1.2
181.04953	1.8
181.08539	1.7
185.04420	8.5
190.28104	0.6
191.07040	20.3
193.04961	36.7
193.08591	5.9
194.05389	0.7
195.04846	1.3
195.06541	21.1
199.06036	1.4
205.04976	7.1
209.04442	2.1
209.08113	8.5
211.06020	39.1
219.06642	1.4
219.24443	0.6
223.06018	38.3
224.06264	0.8
237.05147	0.8
237.07552	19.7
241.07071	20.0
255.08635	92.3
256.08932	1.2
273.09677	100.0
274.10007	2.4
330.70963	0.7
383.75632	0.7
520.39850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.1
67.05511	2.0
69.03432	1.2
71.05005	1.2
79.05489	9.3
80.26513	1.2
81.03426	2.7
81.07036	1.2
85.02893	3.9
88.93343	1.3
91.05471	2.6
93.03445	1.5
93.07063	2.4
94.19256	1.4
95.04961	1.7
97.02882	2.2
97.06530	1.8
107.04955	30.4
107.08578	2.1
115.05474	3.3
117.07020	4.7
121.06475	2.0
121.10116	2.5
123.04420	1.4
124.05224	4.0
125.06013	4.4
128.06276	1.2
129.07004	3.0
131.04968	1.3
131.08615	2.2
131.37032	1.3
133.06493	2.0
133.10136	1.8
137.05968	1.9
139.03865	1.8
139.07715	1.4
144.05652	2.5
145.06473	8.5
147.04451	1.5
147.08060	1.5
149.09628	5.2
151.03912	1.8
151.11322	1.4
152.04738	2.2
153.05486	5.0
155.06041	1.9
157.06551	4.8
159.08049	3.1
161.05974	7.6
167.07039	92.0
171.06557	3.4
172.05182	4.1
173.06003	6.8
175.07668	2.0
177.05408	1.5
177.09129	2.4
181.04955	66.1
182.05368	1.4
185.06000	2.0
187.07594	6.6
189.05475	6.3
189.09190	2.0
191.07051	2.0
191.10590	2.3
195.06564	5.7
201.05495	7.4
203.06992	2.7
205.08600	7.3
206.05719	2.3
207.10008	1.6
217.08669	2.1
218.05763	5.3
219.06538	3.7
219.10193	5.5
221.08055	8.6
233.08081	45.8
234.08569	1.6
235.09653	33.0
237.18452	2.2
245.08147	3.6
251.09158	25.6
255.06650	1.8
263.06717	2.6
263.09186	19.5
278.09311	1.7
280.07358	1.5
281.10269	9.0
307.09689	2.4
309.07556	1.5
325.10620	1.5
331.07895	2.5
339.12234	2.7
355.11890	3.0
367.11874	2.7
371.14767	1.8
372.11813	1.2
381.13141	1.8
387.14548	6.2
399.14319	9.9
405.15576	1.7
417.15463	100.0
418.16010	1.7
435.16483	26.8
623.18500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49637	0.3
66.80961	0.3
67.49957	0.3
69.03399	0.8
69.18043	0.3
71.17106	0.3
75.88496	0.3
81.03413	0.5
85.02916	1.6
85.46249	0.3
91.05477	0.9
97.02893	0.6
105.07028	0.9
107.04942	1.1
115.03976	0.3
115.05450	0.7
117.07001	0.5
128.06226	1.7
129.06998	3.8
131.08574	5.2
133.06458	0.9
133.10139	0.6
137.02315	2.6
137.03293	0.4
137.05925	0.3
141.07024	1.6
142.07758	0.7
143.08540	1.2
144.05692	2.0
145.06508	1.6
146.07205	0.9
147.04439	0.6
153.06998	0.6
155.06032	0.4
156.05629	0.7
157.06487	2.3
158.07289	0.7
159.04462	0.3
159.08046	9.6
160.08493	0.4
161.05977	0.9
161.09567	2.4
167.03427	0.5
167.07042	2.0
169.06360	0.5
169.07617	1.1
170.07249	1.3
171.08003	2.0
172.05191	0.6
173.05995	1.2
174.06752	0.6
175.07536	1.1
180.08696	0.4
181.04987	1.2
187.05969	0.5
187.07550	8.3
188.08133	0.4
189.09119	3.7
190.06258	0.3
191.07014	0.5
192.07762	0.3
193.08620	0.6
198.06758	0.6
199.07512	1.2
201.05418	0.5
203.07037	1.3
204.07819	4.1
205.08473	0.7
206.09351	0.8
207.10046	0.4
209.04391	0.5
216.07767	1.4
217.08603	0.6
218.09373	0.5
219.10153	2.2
221.08083	0.3
221.11679	1.3
231.10225	2.5
233.08081	0.8
235.09654	0.7
237.11217	0.7
249.11214	100.0
250.11549	2.8
255.06514	0.4
263.09222	0.7
267.12241	4.2
269.06717	0.4
273.76013	0.3
347.00006	0.3
417.15286	1.2
491.69751	0.3
640.14154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18600	2.0
54.77847	1.5
55.05511	4.9
57.07071	7.1
58.48132	1.5
66.58623	2.2
67.05502	7.7
69.03428	4.7
69.07066	5.0
69.58031	3.5
69.58425	6.0
71.05000	2.9
71.08627	2.9
79.05494	8.3
81.07059	6.8
81.17345	1.8
83.01329	2.1
83.04979	2.2
83.08623	3.2
85.06574	2.0
88.01105	1.6
89.06030	2.8
91.05450	9.6
92.76788	1.7
93.07060	7.7
95.04961	5.5
95.08599	7.0
97.06548	2.5
98.22900	4.9
98.23454	1.9
99.04463	4.8
105.07007	3.4
107.04974	4.1
107.08594	3.3
109.02872	4.2
109.06511	2.5
109.10185	2.2
110.12111	1.7
111.08129	2.1
119.08581	1.8
121.06506	5.2
123.04409	13.2
123.08069	5.0
124.05250	3.0
125.05980	8.0
127.03921	11.6
131.08583	2.8
133.10101	3.0
134.10493	2.0
135.08052	6.1
136.05235	2.5
137.05952	8.5
138.06752	3.2
139.03900	4.9
139.07545	15.0
140.04718	2.6
141.05486	9.2
145.06511	2.1
145.10095	3.4
147.07967	3.3
149.05978	3.6
149.09538	2.0
151.03929	2.6
151.07541	24.4
152.04675	5.1
153.01730	3.6
153.05467	15.4
153.09081	6.7
154.06294	4.3
155.03401	24.8
155.07057	10.0
161.05986	2.5
161.09599	2.2
163.07500	4.8
165.05415	2.7
165.09100	6.8
166.06238	16.0
167.03423	4.7
167.07042	32.0
168.07828	23.4
169.04959	42.0
169.08580	7.4
169.09900	1.9
177.09122	8.6
179.07047	4.9
181.05052	10.9
181.08595	80.5
182.05750	18.4
182.09169	5.5
183.06534	32.8
184.07307	100.0
191.07185	1.8
191.10716	4.2
193.08670	3.1
195.06560	1.8
195.10172	3.5
196.07330	19.2
197.08090	12.5
198.08875	37.5
199.02396	4.0
199.09653	25.8
211.09636	28.1
213.11186	8.5
244.16989	1.8
305.21124	2.2
307.22607	3.9
335.22296	3.3
337.23648	7.3
439.24792	3.2
443.28018	7.1
453.26666	2.5
461.29102	8.6
471.27509	17.9
475.30322	5.7
485.29031	4.8
490.29068	2.9
501.28464	8.4
503.30014	28.4
504.30515	5.2
505.31152	6.0
517.31299	4.0
520.30188	9.2
529.27740	4.3
533.31207	23.2
535.32605	43.7
536.32977	2.6
547.28992	7.7
561.30554	19.6
579.31677	18.3
586.60907	2.0
614.29303	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3138
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
69.10811	2.7
69.11231	2.6
71.32542	0.6
79.84124	0.9
89.06092	0.9
98.23080	4.5
116.31351	0.8
134.36732	0.7
175.41705	0.8
195.09517	0.8
221.50664	0.7
331.28662	0.8
351.44940	0.8
396.65100	0.8
409.45456	0.8
468.83951	1.0
497.25146	16.5
509.24924	1.6
512.27008	1.4
525.24603	5.2
527.29907	4.1
555.29175	4.1
583.28943	2.1
585.26532	9.1
600.29126	3.3
615.31348	100.0
616.31812	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	615.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	0.7
69.27836	1.8
69.28242	1.8
69.33627	0.6
107.93530	0.7
137.55811	0.7
140.23447	0.7
180.36906	0.6
299.56491	0.6
302.81143	0.7
310.68109	0.6
418.45392	0.6
555.25708	1.8
585.30096	4.9
600.32996	4.5
615.34998	100.0
616.35394	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	616.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99103	0.7
51.14676	0.8
53.03934	2.2
55.01854	2.5
59.71717	0.7
64.29137	0.8
65.03929	3.4
67.05524	1.1
71.44526	0.8
75.04485	2.5
77.03910	0.9
78.04709	1.7
79.05488	2.6
85.02917	4.6
89.03907	1.1
89.06036	0.9
91.05487	10.9
92.50339	0.8
93.03413	11.7
93.07066	5.1
95.04972	4.6
96.05738	1.1
97.02885	1.2
97.06535	1.9
103.05483	7.7
105.04520	2.1
105.07048	10.2
106.04179	26.3
107.04945	2.2
115.05463	1.4
117.03422	1.2
119.04884	0.8
121.06509	27.9
123.04399	0.7
125.06000	9.6
131.04918	3.9
133.02855	1.0
133.06488	11.5
134.03642	3.2
135.04404	1.5
135.08099	0.8
137.05986	2.8
139.07530	3.0
142.19820	0.8
143.06062	0.8
145.02835	1.5
147.04500	1.1
148.05179	2.3
149.05986	45.1
151.04071	0.9
151.07533	2.6
153.05472	1.9
153.09122	12.0
161.05986	21.6
163.03909	1.9
163.07553	3.4
166.06215	1.8
167.07051	2.3
177.05478	21.3
181.04990	1.5
181.08614	19.7
191.07034	21.8
193.08600	27.8
194.08885	0.9
195.44231	0.8
203.43739	0.9
208.49255	0.8
209.08095	100.0
210.08366	1.7
243.16060	0.9
369.13113	1.4
371.13754	1.0
383.14844	0.9
387.14389	3.0
406.91061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03179	0.7
53.26139	0.8
65.03937	1.9
67.05495	1.0
68.99778	1.3
69.07067	0.9
69.21674	4.8
83.01340	1.4
95.08642	1.0
96.84071	0.8
98.22899	3.7
110.04440	1.0
111.04438	3.6
121.02845	1.1
123.04420	1.5
123.68590	0.8
124.85769	0.8
127.03912	1.0
133.06508	1.1
135.04420	1.3
137.02367	1.5
139.03903	100.0
140.04262	1.3
146.94382	1.1
151.03926	2.0
155.03369	2.0
163.03955	4.1
175.03879	0.9
183.02965	1.9
191.84111	0.8
197.02258	0.9
197.06104	1.0
201.05475	1.6
203.06949	1.0
213.05440	1.3
214.38908	0.8
229.04868	1.5
231.06519	1.6
241.05005	1.7
243.06526	1.0
256.26346	1.0
257.04242	1.0
261.07565	2.3
263.05469	1.5
269.04523	1.8
287.05551	1.4
319.39682	0.8
323.18539	7.9
387.21506	2.0
415.21060	1.5
431.20920	1.0
443.20770	1.6
473.19699	0.9
521.21790	1.3
535.23230	3.0
545.21368	1.8
563.22882	7.3
581.23956	6.7
599.24713	3.2
601.48407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
57.16908	0.5
58.48860	0.6
62.33057	0.5
62.65260	0.5
66.99058	0.6
67.05508	2.9
69.07070	5.1
69.55920	1.5
69.56336	0.9
79.05464	0.7
80.05012	0.6
81.07062	0.9
91.05485	0.7
93.05775	0.8
93.07072	0.7
94.06577	8.1
95.04957	2.2
95.08602	0.6
106.06539	0.7
108.08134	1.4
109.10172	0.7
112.07585	2.2
118.06513	1.0
120.08099	1.1
122.06030	30.1
123.04412	1.2
127.03912	0.9
134.06058	1.3
140.07068	48.9
146.06023	6.9
148.07576	49.5
149.07895	1.2
152.07089	1.1
169.08685	0.6
172.03851	0.7
172.07513	0.5
173.10651	0.6
174.05536	3.1
176.07043	1.2
182.09673	0.9
183.09077	0.6
186.09171	1.2
190.05017	4.7
192.06622	0.9
197.10709	1.3
198.09142	0.7
199.08679	0.8
199.12297	1.3
211.08736	1.8
211.12390	0.7
212.09402	1.4
213.10222	1.3
223.08675	0.6
225.10216	3.0
227.11826	12.0
237.10301	1.6
238.11035	0.9
239.11742	2.4
241.09828	0.8
241.13455	0.6
242.12135	0.5
243.11467	0.9
245.06308	1.8
251.11810	2.0
252.12581	0.7
253.09834	0.5
253.13428	0.8
255.11371	1.0
261.12457	1.2
265.09705	0.6
269.12830	3.5
271.10791	1.5
283.10855	2.9
284.11542	2.8
285.12390	4.0
286.12927	1.6
287.13904	100.0
288.14291	3.5
289.05371	3.7
295.10834	1.1
297.12424	2.7
301.12128	2.3
305.14944	1.6
311.14032	0.7
313.11780	5.3
314.13016	1.5
315.13681	1.7
316.14496	6.0
317.15146	0.8
323.10449	0.6
329.11639	1.1
329.15402	1.1
330.15970	4.3
331.12988	1.4
331.16782	8.3
332.17471	1.3
343.13248	1.2
344.13895	1.6
344.17551	2.8
346.19348	1.4
351.28790	0.7
354.16104	0.8
356.13876	1.1
357.14572	1.1
358.15533	3.9
360.17102	0.8
369.29752	0.7
370.15561	1.4
372.17242	2.5
373.17703	1.6
374.18610	0.8
384.13284	2.7
385.14090	0.7
386.14685	1.1
386.19034	1.0
390.18118	7.5
391.18658	0.8
392.19571	0.8
398.15012	3.5
399.15927	4.2
400.16574	7.2
404.68948	0.6
414.17960	3.1
415.18866	0.9
416.19641	0.8
417.16901	1.8
418.17566	2.3
430.17468	0.6
432.19205	14.8
433.19925	5.6
434.20700	0.9
440.15817	0.6
458.17175	4.4
459.17877	3.0
460.18765	0.7
555.26514	1.0
573.27124	19.0
573.35938	1.7
574.27032	1.9
581.22925	0.6
599.25049	16.4
600.25403	1.3
616.43744	1.1
617.35834	10.3
617.44922	0.8
646.50800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3298
Annotation	Lys-Gln-Ala-Gly-Asp-Val
Peak:m/z	Relative Intensity
50.02002	0.6
77.82899	0.5
81.07104	0.6
85.65787	0.6
87.04474	0.7
91.05511	0.6
93.07049	0.8
95.08581	0.9
105.07037	0.9
142.46440	0.6
167.10730	0.9
181.04997	1.4
196.07280	3.1
211.09616	1.0
557.23578	1.5
587.28107	5.8
602.30322	2.8
617.32935	100.0
618.33502	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	618.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01873	0.8
56.87123	0.3
67.05521	0.3
67.58001	0.3
69.27575	1.2
71.04977	0.3
79.05474	0.3
81.03410	4.4
81.07110	0.2
85.02882	0.6
91.05489	0.3
91.36295	0.3
93.07052	0.5
95.08630	0.5
105.07028	0.4
107.01317	0.8
107.08631	0.4
109.02881	1.0
111.04391	0.3
113.93552	0.3
119.04932	0.5
119.08621	0.3
121.02863	2.3
127.03906	1.8
133.10071	0.4
137.02351	100.0
137.03448	8.8
137.09625	0.3
138.02707	1.0
139.03954	0.3
143.03459	0.3
147.04370	0.3
153.01820	3.0
159.77861	0.3
162.03188	0.5
163.03944	0.8
175.03972	0.7
176.04716	0.3
177.05453	0.5
180.00517	0.4
189.54871	0.3
190.02649	0.6
191.03365	4.6
192.04214	0.3
195.02951	0.6
197.04507	0.4
205.04948	1.4
207.06602	0.4
209.04462	0.6
223.06078	0.7
233.02365	0.4
233.04350	2.0
235.05884	0.4
239.05453	1.0
247.06030	0.5
251.05518	10.9
251.08162	0.5
260.03076	0.4
275.05371	2.3
293.06546	2.0
301.12067	0.3
313.10983	0.3
373.12936	0.8
385.12759	0.4
397.22794	0.3
447.09326	1.0
617.37299	0.4
618.25812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	2.7
55.31652	1.9
57.03427	7.4
59.09342	2.0
62.00344	1.9
67.05515	4.1
69.03434	8.2
69.32246	10.8
71.01357	3.3
73.02917	6.0
79.05494	22.2
81.07040	6.1
85.02897	11.6
91.05474	16.3
93.07043	100.0
95.04974	9.3
95.08598	5.0
97.51994	2.0
98.23444	3.8
105.04514	4.2
105.07033	18.6
107.08606	10.9
111.08088	2.8
113.02398	5.1
119.08556	6.2
121.06489	3.8
121.10147	88.7
124.41331	2.3
131.03337	2.3
131.08577	17.9
141.01848	4.3
143.07050	3.1
145.10153	3.6
149.09619	68.9
159.11823	2.3
167.07062	17.4
167.10715	3.4
201.12810	2.4
211.09595	2.1
223.13284	62.0
230.58182	2.1
233.95473	2.1
241.14218	3.1
269.18942	3.1
291.77905	2.1
297.18643	2.9
325.12720	13.4
329.99371	2.4
371.22147	10.0
379.05994	2.1
389.23276	6.8
399.16507	49.6
417.17621	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	618.312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42495	4.7
61.75611	3.9
67.05505	6.5
69.03433	5.6
69.07074	4.3
69.81871	9.4
69.82193	5.2
73.02891	3.7
75.73280	3.6
79.05498	6.9
79.17462	4.2
81.07056	11.8
85.02905	15.9
87.00825	25.9
91.05487	13.9
91.93803	4.5
93.07040	17.7
95.08597	20.8
97.02891	100.0
98.23323	6.8
99.65859	4.3
105.01865	17.7
105.07027	28.1
107.08588	21.9
109.10154	13.4
119.08562	23.4
121.10139	15.5
127.03908	7.7
133.10129	22.5
135.11658	4.6
143.34309	4.8
147.10674	5.8
147.11696	31.1
149.57915	4.1
161.13266	8.1
201.03958	35.3
203.17938	51.2
219.04973	17.1
273.06097	4.5
342.01608	5.1
345.08197	5.3
428.19135	4.6
493.62463	4.6
541.30829	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	618.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
57.07078	12.5
59.04989	2.9
62.99866	1.3
67.05500	2.2
68.16476	1.4
69.03455	2.8
69.07064	12.7
69.13220	9.3
73.06547	3.5
81.07060	3.9
83.08639	1.8
87.04466	41.4
88.24562	1.6
89.06027	100.0
91.05484	8.7
93.07048	5.2
97.88329	1.7
105.07029	7.0
107.04974	4.0
107.07067	2.9
107.08579	3.1
109.10130	1.8
111.11720	8.9
117.07014	7.8
117.09139	3.5
119.08570	6.3
121.06506	6.1
121.10151	1.7
129.07059	1.7
130.08661	4.5
131.04984	1.8
131.07039	11.8
131.08563	5.3
133.06496	16.5
133.08600	76.4
133.10172	3.4
135.08055	2.9
142.01674	1.8
143.08501	2.9
145.06477	15.4
145.10085	3.1
147.08041	56.5
148.08418	1.9
149.09621	3.5
159.08043	4.6
161.09607	30.5
161.10854	2.9
163.11172	3.3
173.09625	14.8
175.09683	7.5
175.11201	8.4
177.11214	32.7
177.12738	1.7
187.11198	6.7
189.12769	7.0
191.10744	8.3
201.12854	1.9
207.13849	3.3
209.11732	2.2
219.13956	1.9
221.13899	4.8
225.08977	1.7
229.15852	6.2
231.17421	10.6
235.13220	2.3
247.90912	1.9
257.18970	4.1
273.18512	3.0
275.20044	28.9
277.21622	2.6
301.53674	1.7
319.22662	13.7
321.24319	2.0
327.19986	2.5
363.25287	4.3
407.27667	5.4
421.51401	1.7
469.32101	2.1
557.36609	2.1
601.39380	27.3
602.39288	2.8
618.35883	10.9
618.41986	11.2
619.28735	2.4
619.37354	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	42.9
56.90416	6.4
57.07075	14.2
67.05518	36.0
69.03453	8.9
69.07067	15.5
70.32417	10.5
70.32778	16.1
73.86585	7.2
79.05485	30.6
81.07064	63.7
83.04979	16.1
83.08630	65.8
85.06537	7.8
87.04472	29.8
87.40103	6.6
88.92463	6.7
89.06017	21.9
91.05486	53.4
93.07051	68.2
95.04998	35.9
95.08596	32.8
97.06524	25.1
105.07042	100.0
107.04961	6.9
107.08607	60.4
109.06496	16.3
109.10140	28.8
115.05487	8.8
117.06989	23.9
119.08584	88.3
121.06517	20.2
121.10161	56.1
123.08059	19.5
125.09650	17.9
127.50272	7.8
128.06241	21.3
129.06995	26.0
130.07832	8.6
131.08563	57.4
133.08644	8.6
133.10115	44.2
135.08072	9.2
135.11673	21.2
137.09581	14.2
139.11203	13.0
141.07007	9.3
142.07794	30.6
143.08586	40.4
144.09364	14.1
145.06517	11.2
145.10114	77.1
147.11710	23.3
149.09631	15.7
155.08565	21.6
155.10678	17.8
156.09312	23.7
157.10133	85.2
158.10893	10.8
159.08020	13.6
159.11668	32.6
160.08850	20.9
161.09537	10.6
161.13319	11.8
163.11073	7.6
164.20901	7.0
165.06973	13.4
167.08546	12.3
167.10648	13.7
168.09332	7.9
169.10106	38.7
171.11716	49.0
173.09665	9.7
173.13264	16.3
175.11168	16.9
179.08488	8.9
181.10109	25.8
181.12241	28.6
182.10934	15.4
183.11696	23.2
185.13272	26.2
187.14786	14.2
193.10121	20.8
194.10938	14.8
195.11743	27.3
196.12521	12.9
197.13231	43.8
199.14766	17.1
206.10800	10.8
207.11719	24.3
207.13686	8.5
208.12549	11.0
209.13275	27.9
211.14856	17.4
213.16199	9.0
215.14317	16.1
220.12457	8.3
221.13376	13.4
221.15366	24.7
223.14767	17.6
225.14861	21.8
233.13257	15.3
233.15375	48.9
235.14917	10.0
244.12717	7.5
247.14786	10.7
255.17351	44.4
263.17987	14.6
265.19650	13.4
269.19061	9.4
270.19839	9.3
273.16269	8.1
299.20102	10.6
315.21078	11.2
337.25253	11.8
349.24927	9.7
383.25800	8.5
618.42041	26.5
619.38086	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	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01866	5.2
55.05301	4.7
55.05518	56.0
56.96572	4.6
57.03449	4.7
57.07063	8.7
60.08162	10.6
62.98237	4.7
65.03945	9.6
67.05499	33.4
69.03419	12.2
69.07070	24.8
70.52401	7.3
71.04987	12.2
79.05485	40.1
81.07054	73.9
83.04970	20.0
83.08611	61.5
85.06541	12.3
86.09698	16.3
91.05483	65.2
93.07047	72.6
95.04967	46.4
95.08606	41.5
96.43296	4.5
97.06544	27.1
97.10169	7.3
104.10744	94.0
105.07030	100.0
107.04999	6.2
107.08596	70.6
109.06522	16.0
109.10184	28.0
111.01839	4.1
111.08103	5.9
111.76884	4.2
113.09599	10.9
115.05428	8.2
117.06992	30.6
119.02755	4.5
119.08585	98.7
121.06516	12.1
121.10136	44.4
123.08073	18.0
123.11757	10.8
125.09613	27.7
128.06216	14.4
129.06993	28.0
129.07817	4.8
130.07799	9.5
131.08569	51.2
132.09361	7.4
133.10132	55.1
135.08034	11.3
135.11742	8.0
137.09662	8.5
139.11183	9.9
141.06992	12.8
142.07803	27.7
143.08574	49.3
144.09335	13.8
145.06487	8.2
145.10133	80.6
147.08060	16.2
147.11703	23.2
149.09624	19.6
151.56133	5.0
155.08569	19.2
155.10683	15.3
156.09340	15.8
157.10126	62.3
158.10938	6.4
159.08063	12.5
159.11661	32.4
160.08830	12.5
161.09634	17.4
161.13173	4.9
163.11183	8.8
165.06973	9.9
166.07693	5.4
167.08539	12.8
167.10675	15.3
168.09422	7.3
169.10165	37.0
170.10951	13.9
171.10387	6.5
171.11682	32.0
172.12453	5.8
173.09656	13.1
173.13258	16.3
175.11177	12.2
179.08543	10.0
179.14339	6.5
180.09421	9.1
181.10143	17.5
181.12256	28.9
182.10918	13.5
183.11685	25.7
184.12431	8.7
185.13249	22.3
186.14082	4.3
187.11148	9.9
187.14806	9.8
191.14287	7.6
192.09375	6.3
193.10144	13.2
194.10895	9.5
195.11617	27.3
196.12532	10.7
197.13274	36.8
198.13977	5.1
198.96803	9.4
199.11151	6.4
199.14827	16.5
203.74490	4.6
206.10907	6.2
207.11717	19.5
207.13620	4.6
208.12515	9.4
209.13274	32.8
209.15152	7.6
211.14816	15.2
213.12801	10.7
215.14311	18.8
220.12485	8.3
221.13234	14.6
221.15361	25.3
223.14865	16.6
224.15604	4.9
225.12819	7.9
225.14830	14.3
225.16655	6.9
227.14342	6.7
231.11728	7.7
233.13254	9.5
233.15366	37.1
235.14740	11.0
237.16487	12.3
245.13341	6.4
247.14804	9.4
248.15486	5.8
249.16534	7.6
255.17427	33.2
258.14005	5.7
258.19940	5.0
259.14700	5.9
261.16309	6.3
263.17990	5.9
265.19638	7.6
267.17432	7.8
270.19833	9.8
271.14642	5.2
275.17917	11.5
281.19016	9.9
283.01865	72.1
285.18417	8.0
294.19891	5.0
298.19357	4.7
299.20172	11.5
315.21112	4.6
319.19537	10.5
337.20615	15.3
337.27472	9.4
347.23825	6.1
365.24606	7.4
383.25760	17.0
414.29001	6.3
457.31177	8.4
502.25958	5.9
558.28461	10.8
582.41174	6.3
618.30127	9.6
618.42029	15.1
619.28143	21.9
619.38031	35.5
636.68365	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	619.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47782	0.5
67.05488	1.0
69.07037	1.7
71.44563	0.7
80.73421	0.5
94.06567	3.0
101.78365	0.6
106.06542	1.1
108.08078	1.6
117.29392	0.6
120.08067	1.4
122.06036	7.4
123.58690	0.6
124.07569	1.0
132.08090	0.7
134.05974	2.4
136.07570	23.1
137.05925	0.7
140.07047	9.1
146.06003	6.8
148.07576	9.9
150.09143	3.3
152.07024	2.5
159.28438	0.5
164.07062	30.0
165.07376	0.6
166.08617	6.2
172.03918	1.1
174.05565	3.4
174.09059	1.2
176.07059	15.9
182.08159	0.7
184.92564	0.6
186.95338	0.7
190.04988	3.5
192.06526	1.0
196.09764	0.7
201.06627	0.6
209.10692	1.2
210.11510	1.5
211.12273	3.0
212.13063	1.7
218.08102	1.1
221.10776	1.4
223.12265	2.8
224.09529	1.7
224.12997	1.7
225.10236	3.3
225.13907	1.8
225.98077	0.6
227.11647	1.5
235.12265	2.6
236.13132	1.2
237.10112	4.8
237.13950	1.9
238.10968	10.3
239.11775	13.6
240.12625	0.9
241.09976	0.6
249.10228	0.7
250.11037	2.1
251.11823	7.3
252.12576	3.2
253.13330	6.1
261.10013	1.2
261.12408	1.1
263.11740	4.0
264.08911	1.4
264.12421	0.6
265.09763	2.3
265.13339	12.5
266.10550	1.7
266.14169	0.9
267.11203	3.8
268.11887	1.2
269.12817	1.5
270.13696	0.9
271.14377	9.1
275.11798	2.1
277.09622	1.9
277.13315	3.2
278.10440	3.1
279.11264	100.0
280.11966	7.5
281.12842	2.1
283.10901	1.9
283.14429	2.5
284.11435	1.0
285.12344	2.3
287.13861	8.7
289.15543	3.4
291.11371	1.5
293.12857	4.6
295.11066	0.8
295.14398	2.5
296.11847	2.5
297.12320	44.5
298.13068	6.7
299.13751	1.6
309.12317	11.8
310.13153	6.6
311.13873	22.3
312.14633	3.8
313.11792	4.0
313.15363	24.4
314.16129	1.7
319.10760	1.8
321.12347	9.0
322.13443	0.7
323.10135	1.1
323.13672	0.8
324.11078	1.4
325.11786	4.4
331.12915	1.8
337.11795	19.3
338.12576	9.1
339.13373	70.2
340.14017	4.0
357.02823	0.8
357.14532	3.5
400.16617	2.1
418.17377	1.0
432.19202	0.8
434.20694	1.8
435.21664	1.0
438.20212	3.7
442.17419	3.2
450.19934	1.0
452.21802	33.3
453.22202	2.4
460.18665	33.2
461.19226	2.5
462.20145	0.8
464.18295	0.9
465.19055	1.1
466.19498	1.9
478.19736	24.5
479.20053	3.6
480.21313	6.0
496.20871	0.7
575.28638	7.2
583.25391	1.8
601.26514	98.5
602.26758	5.5
619.27832	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	619.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46414	0.7
57.19017	0.6
62.54078	0.6
67.66001	0.5
69.10026	4.0
87.04416	0.9
98.23266	2.9
156.47461	0.6
177.01479	1.8
191.02730	0.5
345.20169	0.8
390.67529	0.7
469.93115	0.6
483.26834	1.1
498.29706	1.6
503.33395	2.0
513.31836	17.3
514.32166	1.1
527.26221	3.6
531.32874	0.7
539.29657	2.5
541.26917	0.8
542.28607	5.4
543.29266	8.8
557.30841	100.0
558.31274	6.8
573.21332	0.6
573.30322	2.5
575.31830	15.6
576.32855	0.8
583.28503	4.2
587.28278	1.0
601.30475	3.6
619.30859	32.6
619.43591	4.0
620.31250	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	620.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31190	0.6
53.03933	0.9
55.01865	3.3
55.05493	1.9
57.03180	1.0
57.03439	13.2
59.92752	0.7
61.02929	4.5
67.05525	0.8
69.03425	16.6
69.37155	2.5
71.01345	1.6
71.04990	45.7
72.05352	0.7
73.02914	15.5
75.04475	5.5
81.03416	2.9
83.04974	16.5
85.02899	100.0
86.03246	1.1
87.04459	2.8
87.08937	0.7
91.03966	1.0
93.73733	0.7
97.02257	1.5
97.02888	28.9
99.04454	2.2
103.03925	3.9
108.97004	0.6
109.02893	2.2
111.04442	12.9
111.90691	0.7
113.02433	0.8
113.05997	0.9
114.50837	0.7
115.03918	16.1
127.03913	10.5
129.05473	34.8
133.04968	10.5
139.03896	2.1
145.04961	14.3
147.06516	25.0
151.03896	1.3
157.05034	0.8
163.06020	6.9
165.07578	1.8
169.04947	2.8
171.06592	1.8
181.04982	0.9
187.06015	1.5
193.04924	0.7
217.07072	1.4
223.05991	1.7
225.07547	8.9
231.08635	0.9
237.07466	1.6
241.07133	2.2
243.08646	8.6
255.08693	2.4
259.08118	5.8
261.09671	4.0
273.09698	4.3
279.10736	14.9
291.10754	0.9
295.10217	5.6
309.11771	8.2
349.60788	0.7
377.49640	0.8
382.39346	0.7
387.12869	1.1
421.77515	0.7
489.24899	0.6
620.23846	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01870	3.2
55.05511	2.2
57.03439	10.9
61.02926	4.0
67.45216	0.8
69.03430	15.8
69.03805	1.3
69.77840	2.9
71.01345	2.1
71.04993	43.9
73.02921	14.1
75.04477	3.9
81.03421	4.4
83.04980	14.4
85.02905	100.0
87.04466	3.4
91.03976	1.9
95.04971	1.2
97.02894	24.6
99.04457	2.3
100.61750	0.8
101.06014	1.5
103.03947	2.2
109.02908	4.0
111.04450	12.8
114.09176	1.7
115.03933	15.0
116.77002	0.9
123.04401	1.2
127.03908	11.1
129.05476	34.3
133.04973	13.1
137.06017	1.4
139.03886	2.0
139.27913	0.6
145.04955	15.0
147.06523	21.1
149.05969	0.8
151.03883	1.3
153.05399	1.0
163.06018	7.2
169.04994	2.8
171.06581	0.9
193.12286	1.9
199.06058	1.9
217.07050	1.3
223.05994	1.3
225.07591	9.4
231.08705	0.9
237.07468	1.9
241.07047	3.8
243.08653	8.5
255.08644	3.0
259.08105	5.7
261.09747	3.4
273.09668	4.5
277.09204	1.4
279.10757	14.7
295.10233	7.8
309.11783	9.6
325.11316	0.9
387.12698	1.6
395.96146	0.7
405.13892	1.1
433.81735	0.8
513.34515	0.8
516.67273	0.9
620.22894	1.2
620.47089	1.8
625.34479	0.9
635.61053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	0.9
55.05513	4.8
57.03432	7.2
57.07078	0.8
59.04988	2.1
59.43910	0.5
61.02912	2.0
65.03920	1.0
67.05503	52.6
68.05799	0.6
69.03413	0.7
69.07068	6.3
71.04993	2.3
71.05354	0.5
73.02910	0.7
79.05494	9.6
81.07053	26.1
83.04969	2.3
83.08620	6.8
85.02895	2.7
85.06541	2.3
91.03971	1.2
91.05470	7.1
93.07044	18.0
95.04982	1.8
95.08601	7.9
97.02877	1.7
97.06524	4.2
97.10139	0.5
99.08116	1.0
105.07033	1.0
107.08589	10.7
109.06537	0.9
109.10153	42.9
110.10469	0.6
111.08107	3.5
113.06010	0.6
117.06995	2.6
119.08575	3.9
121.06519	0.8
121.10125	5.7
123.11684	0.6
131.08557	2.3
133.10141	2.2
135.07939	0.5
135.11688	3.0
136.99442	0.5
137.09622	2.0
138.83463	0.5
149.13254	11.0
155.10684	2.5
159.11707	3.8
173.11722	11.6
177.12759	2.0
195.13812	3.6
229.11990	0.7
229.12590	0.6
229.14336	34.2
269.17459	35.8
270.17856	1.3
423.27386	100.0
424.27689	5.5
440.56232	0.6
460.07492	0.5
473.27252	0.5
544.24445	0.6
643.57495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02975	1.3
55.05524	1.7
56.58473	1.2
57.07076	81.8
59.04990	1.3
64.36205	1.4
69.03426	2.2
69.63967	4.6
73.06546	1.8
87.04469	18.9
89.06029	100.0
91.05478	7.4
93.07045	7.1
93.07546	1.4
95.04968	5.7
103.05491	4.0
104.10711	2.7
105.04494	2.0
105.07014	2.2
107.08614	2.3
113.13277	1.5
115.60913	1.6
117.09161	1.4
118.07780	6.4
119.04938	4.9
119.08575	6.6
121.06503	34.2
130.08704	1.5
131.07045	9.2
133.08603	64.9
135.08055	4.6
135.11703	2.6
147.08035	15.8
149.09613	5.9
150.06805	3.1
159.11743	2.1
165.09096	13.0
167.10686	3.3
175.09695	5.0
175.11133	1.6
177.11223	29.0
177.12711	2.0
180.59848	1.4
191.10623	4.3
193.12170	2.1
209.11745	5.7
211.13290	2.1
221.13760	9.0
233.18965	24.2
235.13301	2.9
250.74544	1.5
253.14468	2.2
259.20544	4.5
265.16568	2.6
277.21631	33.7
279.15799	2.2
283.17383	1.8
297.17041	1.6
303.23239	2.1
321.24289	13.5
400.66238	1.5
491.28629	11.0
554.51227	1.4
603.32257	1.9
603.41046	30.5
620.43768	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	620.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06859	0.8
57.07079	10.1
69.60980	3.5
73.06555	2.0
87.04472	18.6
89.06035	100.0
107.07065	2.4
121.06482	2.4
130.08664	2.4
131.07048	8.9
133.08609	72.3
147.08055	3.2
149.02348	2.8
149.09627	0.9
173.23703	0.9
175.09718	5.1
177.11226	34.4
185.93179	1.0
191.10704	1.0
193.04814	1.0
209.11708	1.1
218.46104	0.9
219.12184	0.9
221.13829	8.2
233.19038	2.2
239.14870	1.7
253.14384	1.3
255.15860	1.8
259.20593	2.0
265.16452	2.0
283.17542	2.5
297.17014	1.4
299.18518	1.2
309.19052	1.4
315.17715	1.1
327.20279	0.8
341.19690	1.2
362.84180	1.1
365.26962	2.1
385.22186	1.2
603.40741	1.9
620.72986	0.9
621.15552	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03432	2.7
65.03920	1.7
69.55007	4.3
69.55368	2.7
73.02896	2.7
74.49822	1.3
76.55193	1.5
81.03448	2.6
85.02912	5.1
91.05485	3.0
93.03397	2.0
95.04945	1.9
97.02888	1.6
107.04950	7.4
109.02880	2.9
117.07042	3.1
119.04906	8.6
121.02910	1.8
131.04945	2.8
135.04442	1.8
139.03935	4.6
144.05742	6.0
145.06429	11.1
147.04413	26.1
149.77060	1.4
151.03926	2.8
155.06174	1.8
157.06514	1.7
159.04469	1.9
161.02428	1.7
163.03967	2.4
165.01900	1.7
167.03409	1.7
171.04359	2.0
173.02390	1.6
173.99599	1.4
176.01118	4.3
176.04596	1.7
177.01910	5.5
177.05495	2.5
179.03465	4.9
187.03970	2.4
189.01839	10.9
190.02629	3.2
191.03462	8.5
194.02206	2.8
195.02917	6.8
199.04030	2.0
201.01988	1.8
201.05534	3.2
203.03413	11.9
204.04262	2.7
205.04938	6.5
207.02922	11.1
211.04057	2.1
215.03421	3.9
217.01501	2.0
217.04991	5.1
218.05594	2.4
219.02881	6.9
219.06419	2.1
221.04501	2.9
227.03429	3.9
229.05003	4.5
232.07120	7.6
233.04478	5.7
239.03639	2.0
243.02968	1.6
245.04295	1.7
255.02855	2.5
257.04507	2.9
273.03983	3.1
277.84030	1.8
285.04059	3.3
293.08154	4.3
302.05777	2.4
305.08322	4.2
307.09717	3.7
309.07462	7.5
316.07220	2.1
317.08203	3.0
319.06097	2.8
319.09805	3.8
320.06839	6.5
321.07565	70.7
322.08322	5.0
323.09296	6.4
331.09775	2.4
333.07526	41.7
334.08344	7.6
335.08902	12.0
339.08752	4.8
345.07645	5.6
346.08340	2.5
347.09064	25.3
348.09976	5.6
349.07028	2.5
349.10812	5.2
351.08603	84.5
352.08994	2.4
359.09161	7.5
361.10767	13.7
363.08609	57.8
364.09247	2.6
365.10361	2.4
371.09235	3.2
373.10828	12.1
375.08618	27.4
376.09079	3.2
377.10187	20.4
381.09491	18.1
383.09326	2.8
387.08380	13.3
387.12708	1.8
389.10226	6.2
391.11929	8.3
393.09793	5.3
395.13397	4.2
399.08585	3.7
400.09546	1.9
401.10220	9.1
405.09637	50.0
406.09970	2.3
411.08389	2.5
413.10294	2.2
415.11954	3.3
417.09702	28.4
419.11310	1.7
427.12045	3.0
429.09619	20.0
435.10748	37.0
441.10083	1.8
447.10724	22.0
453.11752	35.6
459.10846	3.8
459.16705	1.8
465.11768	30.7
471.12335	7.0
483.12857	100.0
483.98730	1.6
484.13303	3.1
489.12051	3.3
501.14038	22.9
507.12802	28.2
513.11450	2.2
519.13062	3.4
524.78516	1.6
525.13831	23.4
531.13092	6.0
537.13885	23.1
549.13824	22.0
555.14935	11.2
567.14911	27.5
568.15173	1.9
585.15997	30.1
586.16486	1.7
603.16956	20.6
621.21289	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.8
57.03416	4.0
57.07076	42.9
61.02934	5.4
68.99802	7.2
69.03393	7.5
69.07063	7.4
71.05004	5.7
71.43974	4.0
79.05494	9.8
81.03419	8.8
81.07059	9.2
85.02901	32.6
85.06557	29.0
87.00831	5.8
90.18844	4.6
91.05482	5.2
93.07041	12.3
95.04962	8.8
97.02938	8.4
97.06529	7.3
99.04469	7.2
103.03911	6.0
105.07043	22.1
107.04980	8.4
107.08591	5.8
109.02870	13.1
109.10162	4.8
115.99384	4.4
117.07013	5.2
118.08324	4.0
121.02859	6.0
121.06504	17.5
121.10136	3.5
121.43552	3.6
123.04445	6.0
125.05993	4.6
127.03933	5.1
129.01833	5.3
129.06964	8.1
131.08539	5.9
133.06477	15.5
133.10143	5.8
135.04446	13.6
139.03912	9.9
145.06438	6.2
145.10133	24.9
147.04407	12.1
147.07997	5.3
149.05951	6.4
151.03891	12.5
151.48311	3.9
153.01797	5.7
157.06482	8.7
158.07275	5.3
159.07991	8.9
159.11676	9.3
161.05969	8.6
163.03908	11.2
165.05435	5.0
166.30176	4.3
169.06474	5.4
169.10164	6.9
171.04396	9.7
171.07956	5.6
173.09647	33.1
175.03879	11.8
175.07440	6.5
185.05962	10.0
187.03917	13.8
187.11205	17.8
189.03914	5.8
189.05504	16.8
191.03404	6.4
192.08508	4.4
193.04950	7.5
195.08058	4.6
199.03859	10.6
199.07498	6.4
201.05397	5.7
201.09094	7.4
203.03345	7.3
203.06996	9.5
205.04944	4.9
205.08537	4.7
211.07506	4.6
213.05461	15.3
213.09000	6.0
215.03397	5.3
215.07182	9.8
215.10609	32.3
217.05000	20.1
217.08458	4.9
225.05373	5.6
225.10321	5.2
227.07040	9.5
229.04955	12.0
229.08617	13.1
233.11685	31.0
235.05898	6.2
235.09663	16.8
239.07089	4.1
241.05009	17.7
241.08585	9.9
243.10138	6.4
245.07986	6.0
247.09592	21.4
247.14531	4.0
251.07022	5.8
253.10696	6.1
255.06517	6.5
255.10692	8.6
257.04437	11.3
257.07388	3.8
259.06064	25.9
259.09607	35.6
263.09290	7.4
265.10666	17.4
267.10175	3.9
269.07974	5.7
269.12097	6.0
271.09729	11.9
273.07706	8.3
273.11191	15.1
277.10712	42.8
283.06094	13.9
283.09586	8.7
285.11090	9.2
289.10712	32.1
295.09299	5.5
295.12189	8.8
297.07672	6.4
297.11496	15.6
301.07098	13.7
301.10687	55.3
309.11209	5.4
313.10574	32.7
315.13361	100.0
319.11771	50.2
321.11139	6.6
325.10602	39.2
327.12259	5.4
331.08136	5.9
331.11719	44.2
332.12302	5.1
339.12360	13.5
341.10117	7.4
343.08002	3.3
343.11749	80.6
347.11252	5.4
349.12903	6.1
355.12003	18.1
361.12964	33.5
367.11469	27.7
373.12515	6.4
379.13547	18.2
385.12808	49.4
391.11853	6.8
397.14206	21.7
403.13818	17.3
405.07779	7.0
409.12665	18.7
421.14987	11.6
427.13977	27.9
435.12726	8.3
445.15125	21.4
447.12814	8.6
453.13971	30.2
463.15808	18.1
465.14209	7.9
471.13107	6.6
489.14047	9.5
501.13818	12.4
507.14868	11.6
513.14240	7.1
519.15149	9.1
531.15167	9.6
549.15857	18.2
567.16357	6.4
577.17865	13.2
603.27734	9.5
615.94769	4.5
621.16766	10.6
621.27881	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	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.70003	2.2
72.56487	2.2
78.70416	2.4
183.53101	2.4
389.17459	3.1
403.19162	6.3
404.20251	3.1
405.20920	4.2
417.16711	5.5
419.22226	11.4
431.18506	8.0
432.19455	3.4
433.20132	3.8
445.20157	9.2
446.20975	9.2
447.21692	12.2
459.21927	4.9
460.79807	2.6
461.20023	3.4
474.20352	7.2
475.21173	10.9
487.21335	4.3
501.22858	4.0
505.25864	3.2
533.25641	25.7
561.24896	37.4
562.25464	4.8
593.27576	7.9
621.26996	100.0
622.27490	10.3
641.37299	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76572	0.3
65.91943	0.4
79.42609	0.4
91.21097	0.4
130.82475	0.3
156.02202	0.3
209.10590	0.5
218.51065	0.3
221.10701	0.6
223.12448	0.4
251.71722	0.4
254.15404	0.4
262.73526	0.3
328.62656	0.3
373.14697	0.7
375.16000	0.8
376.17499	0.5
385.15207	0.4
387.16257	1.1
388.16769	1.4
389.17679	3.0
390.18463	1.6
391.18918	0.8
401.17816	0.6
402.13870	0.5
402.18454	1.5
403.19403	5.2
404.20084	2.9
405.20697	1.8
415.14792	0.5
415.19559	0.9
416.16272	1.4
417.16034	4.1
417.21008	2.9
418.17065	0.7
418.21466	1.2
419.22397	7.9
420.22830	1.1
429.21228	0.5
430.17746	1.2
431.18069	6.4
431.23572	0.6
432.18918	2.9
433.20154	1.6
443.18607	0.7
444.19565	0.4
445.20126	7.2
445.24878	0.5
446.20984	4.6
447.21771	10.7
448.22223	1.0
457.20245	0.9
459.22998	2.7
460.18372	1.0
460.23312	0.5
461.19189	0.6
473.18518	1.7
474.20367	8.3
475.21283	15.0
476.21146	1.0
487.21243	3.5
488.21933	1.8
489.22699	0.5
490.23489	0.4
491.20221	0.7
501.22650	2.6
502.23279	1.0
505.25952	1.1
518.23279	0.8
519.20447	0.6
529.22357	0.5
533.25574	12.2
534.25812	1.3
546.22742	0.9
561.24988	64.0
562.25269	6.8
589.24469	1.4
593.27466	2.6
621.27057	100.0
622.27429	11.1
622.37372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77645	0.8
53.03936	1.2
55.01868	3.5
55.05513	1.6
59.04943	0.9
65.05869	0.8
65.66843	0.9
67.05502	3.1
69.03417	3.5
69.07069	6.1
71.04987	2.3
74.06686	1.1
77.03976	1.2
79.05489	10.5
81.07069	2.1
83.04977	3.9
85.02905	2.4
91.05465	5.6
93.07049	6.9
95.04969	5.0
95.08572	2.2
97.06531	9.4
99.04453	4.3
103.05471	2.6
105.07023	41.0
105.07735	2.0
107.04953	7.1
107.08619	1.4
109.06499	2.0
115.05440	2.7
117.07020	4.5
118.43252	1.0
119.04964	1.6
119.08577	2.4
121.06499	35.9
125.05989	7.8
128.06216	2.1
129.06982	2.7
130.07736	3.4
131.04936	1.5
131.08568	9.3
133.06493	26.1
133.10162	2.2
135.04404	2.5
135.08092	0.9
137.06001	1.1
139.03903	1.6
141.06987	2.9
143.07013	6.6
143.08543	4.5
144.05676	1.5
144.09332	2.8
145.06493	12.6
145.10118	51.3
146.10431	1.1
147.04356	1.3
147.08060	1.8
153.06960	1.4
154.07748	3.6
155.08557	8.6
157.06526	2.3
158.07275	19.2
159.08054	15.6
159.11687	16.7
161.09599	2.3
163.11035	1.1
169.10115	7.4
171.08047	2.3
172.08813	5.4
173.09618	100.0
174.09972	2.6
179.08498	4.7
182.07268	3.0
187.11176	38.4
191.10651	2.1
197.09586	12.3
205.12250	15.3
215.10667	76.2
216.11034	1.6
233.11714	69.3
234.11981	1.9
278.11234	1.3
281.13684	1.2
289.10834	1.0
302.10953	1.2
307.15390	2.1
315.13199	1.7
319.11829	4.1
320.12030	1.2
337.12827	22.4
344.12048	2.1
355.13867	20.2
513.15997	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	622.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01863	2.5
57.03438	2.2
61.02921	1.5
65.03950	0.4
68.99770	1.0
69.03431	12.3
69.12400	2.3
71.04993	1.9
71.08631	3.7
73.02903	2.1
81.02959	0.7
81.03416	9.5
83.04971	0.5
85.02905	32.4
86.03223	0.4
87.00832	14.8
87.04482	0.5
91.03934	0.6
97.02895	14.2
99.04463	4.7
103.03921	0.4
105.01866	26.3
109.02880	14.0
109.03638	0.6
110.03661	3.6
111.04464	0.9
114.09177	0.6
115.03908	0.4
117.01859	0.8
123.04434	0.4
125.05991	33.6
126.06319	0.4
127.03915	27.0
128.04266	0.6
129.01836	1.3
137.05949	0.5
145.04961	13.4
147.02892	1.1
153.01791	0.4
159.02888	4.7
180.04549	0.3
189.03941	0.8
195.13802	100.0
196.14177	3.1
197.73006	0.3
213.03905	3.1
219.13754	1.4
231.04977	10.3
231.13536	0.4
237.14861	0.6
249.06041	4.4
253.07040	1.5
261.14923	0.8
262.25427	0.3
263.20081	0.4
271.08047	0.7
303.15964	0.4
481.14627	0.5
621.48163	0.5
622.23376	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	623.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03938	0.6
61.02926	0.6
66.48965	0.5
71.42809	0.5
79.05479	0.9
85.02906	1.5
87.08035	0.5
95.04966	1.9
97.02928	0.6
103.03917	0.7
105.04507	0.5
107.04954	100.0
108.05299	1.7
109.02885	0.6
123.04428	1.0
139.03889	1.7
151.03995	0.5
152.25696	0.4
163.03818	0.5
176.24789	0.5
185.06059	0.8
201.05464	1.2
203.06998	0.6
207.02815	0.7
210.03317	0.5
216.04211	1.5
217.04933	3.6
219.06503	1.6
229.04959	4.7
230.05658	1.8
231.06517	1.5
241.04912	1.9
243.06459	2.8
244.07280	1.5
245.08067	0.5
245.99619	0.5
247.05992	6.4
255.06523	1.4
257.08044	1.5
258.05264	0.9
259.05981	8.7
259.10480	0.8
267.06442	0.6
268.07324	0.9
269.08148	1.3
271.05981	2.8
273.07574	3.1
279.06610	0.7
283.06046	1.6
287.09247	1.2
295.06079	0.7
296.06961	0.5
297.07617	1.0
301.07040	2.5
309.07751	0.5
309.81119	0.5
311.09116	0.9
313.07166	1.7
319.12766	1.0
323.09128	7.7
325.07050	1.0
335.09143	6.8
336.09567	0.8
336.64975	0.5
341.10233	0.8
349.10641	1.1
351.08557	0.6
353.10202	16.5
354.10492	1.3
363.12332	1.4
365.10199	11.0
375.12204	1.8
377.10135	8.7
379.11774	2.6
383.11322	5.8
389.10193	2.7
391.12021	0.7
393.13293	1.8
395.11353	0.6
401.10257	1.3
403.11804	1.7
407.06137	0.9
407.11255	12.8
408.11453	0.5
409.09357	0.5
413.10223	0.7
417.13467	0.5
419.11246	5.5
431.11227	5.9
432.11383	0.7
437.12335	10.4
438.12970	0.6
441.80783	0.6
443.11414	1.2
449.12207	5.7
455.13416	9.1
456.13348	0.7
461.12454	0.7
467.13330	7.2
473.12518	1.6
485.14426	27.4
486.14703	1.3
491.13397	1.4
503.15451	3.7
509.14478	8.7
515.13214	1.0
521.14551	1.0
527.15399	2.6
533.14099	1.9
539.15503	7.3
551.15491	7.6
557.16565	1.1
569.16528	6.7
587.17566	5.3
605.18494	1.4
623.19531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	1.6
71.18602	1.2
81.07079	1.2
89.06032	7.4
130.08707	1.2
133.08600	1.7
169.23642	1.2
177.11241	1.4
251.15477	1.2
385.14960	1.4
389.18750	1.8
390.19107	1.2
391.19260	4.2
392.20178	2.2
393.20844	3.0
400.16895	1.4
401.17532	2.1
402.19119	1.5
404.20627	2.6
405.20804	6.6
406.21646	3.8
407.22260	17.7
413.18250	1.6
414.18381	3.5
415.19339	6.3
416.20856	1.7
419.22531	3.1
420.23175	3.0
421.24020	15.9
422.24698	4.0
427.19342	2.5
428.20154	3.2
429.20984	14.9
430.21567	4.2
431.18692	2.4
432.19504	1.4
433.16333	1.4
433.24069	2.6
442.21844	2.0
443.22546	7.8
444.23312	7.4
445.20264	1.5
447.17578	2.7
448.18259	1.3
456.19693	2.3
457.19461	2.0
457.24136	4.4
458.25177	9.7
459.21741	10.6
460.22482	3.9
461.18979	7.1
462.20313	2.6
463.21466	1.6
471.22092	2.2
472.22458	10.3
473.23602	3.9
474.20508	1.3
475.20770	6.5
476.21704	7.0
477.22903	4.4
478.23441	2.4
485.23499	20.7
486.24194	4.5
487.21298	1.9
488.21902	2.4
489.23022	4.5
498.20673	1.4
499.20981	6.1
500.22290	3.7
502.24173	1.6
503.24277	10.6
508.28452	2.2
513.22809	5.6
514.23468	1.8
517.26221	9.8
518.26544	1.4
519.24304	1.4
529.26190	3.2
531.23987	2.0
535.27350	7.1
545.25500	100.0
546.25787	8.3
563.26099	1.6
564.27417	1.9
573.24908	25.5
574.25238	2.2
605.27557	70.8
606.27496	5.9
623.28589	81.8
624.29199	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	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47745	0.2
61.55458	0.2
69.19184	0.5
69.19585	1.2
74.19910	0.2
75.13263	0.2
75.58433	0.2
77.35264	0.3
81.71790	0.2
81.72284	0.2
137.82509	0.3
169.96986	0.2
195.09421	0.3
197.10789	0.3
389.17706	0.6
390.18304	0.6
391.19247	1.0
392.19888	0.3
393.20700	0.4
401.17755	0.5
402.18466	0.7
402.59537	0.3
403.19293	1.4
404.19958	0.8
405.21121	2.0
406.21146	0.4
407.22263	0.9
414.18430	0.4
415.19257	0.9
416.20142	0.7
417.21436	1.7
418.17599	0.7
418.22165	0.5
419.17767	0.6
419.22980	2.5
420.22992	0.9
421.23666	0.4
428.15903	0.4
429.16333	0.5
429.21155	0.8
430.17273	1.5
431.17920	2.7
431.23279	0.7
432.18555	1.1
433.20139	4.7
434.20966	0.8
435.21811	0.4
443.18448	1.4
444.18915	1.5
445.19934	4.0
446.21106	2.8
447.21783	3.4
448.22922	1.2
449.23514	0.4
457.19687	0.4
458.20859	4.3
459.21786	3.9
460.23022	3.1
461.19498	0.5
462.20517	0.7
463.21057	1.4
473.23599	0.7
475.21420	0.9
476.21835	0.6
477.23087	1.6
478.22913	0.3
489.22748	0.4
490.23828	0.4
491.24530	0.4
503.25174	0.3
505.21552	0.4
507.20380	0.3
517.22498	0.7
518.23083	3.4
519.23187	0.4
521.22467	0.5
530.23212	0.4
531.24274	0.4
532.24530	0.4
533.25549	5.4
534.25964	0.8
535.27777	1.9
545.25610	1.7
546.26263	0.8
562.25378	0.3
563.26416	5.5
564.27197	0.8
573.25250	0.8
577.27771	0.6
591.25867	0.3
604.28290	0.4
605.27551	8.7
606.27960	0.9
623.28595	100.0
624.28943	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97525	3.7
52.37933	3.9
55.01877	5.1
55.05514	9.3
57.03419	7.3
61.02913	18.1
64.45448	4.8
67.05498	34.8
69.07069	13.7
73.02921	6.8
74.64223	3.7
79.05492	29.6
81.07058	41.5
83.08623	7.4
83.33949	3.5
84.55452	3.6
85.02907	13.5
91.03957	10.3
91.05463	32.0
93.07044	25.3
95.08593	13.5
97.02892	10.0
102.54545	4.6
105.07016	24.8
107.08592	9.4
109.06473	6.2
109.10136	11.4
109.11720	4.6
110.98951	4.6
115.05412	5.5
117.07032	19.5
119.08578	19.9
128.06223	5.6
129.07011	26.4
131.08546	40.1
133.10109	9.3
135.08095	4.3
135.11780	5.2
137.09564	5.2
141.06973	16.7
143.08565	22.3
145.06358	5.1
145.10124	12.2
147.08102	4.8
147.11626	5.1
149.09624	5.9
155.08531	15.7
157.10077	11.4
159.11653	5.7
165.06940	5.6
167.08629	10.0
169.10097	18.5
171.11673	12.0
181.10129	8.4
183.11723	8.4
193.10191	5.7
195.11679	7.7
197.09525	5.3
197.13217	9.0
209.13205	5.2
221.13196	7.0
223.14804	8.7
235.15005	6.3
270.67599	5.2
310.39108	6.4
333.22113	9.8
341.24637	7.6
351.23190	40.2
369.24237	29.6
387.25156	17.1
425.26758	4.6
443.27914	100.0
444.27667	6.4
461.29001	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05624	3.0
55.01884	4.5
57.03437	26.0
61.02926	8.9
65.20020	2.9
69.03432	34.2
71.01348	5.8
71.05006	4.0
73.02912	61.1
81.03395	4.1
85.02905	69.6
87.40094	3.2
91.03963	4.7
95.67943	3.4
97.02895	100.0
97.03493	6.8
98.23485	13.7
109.02864	6.8
115.03924	50.7
115.28581	3.8
127.03930	21.6
133.04967	43.0
138.35902	3.3
145.04947	31.7
163.05962	20.2
211.06053	8.1
217.07242	3.9
223.06078	5.2
229.07127	11.3
241.07097	9.5
259.08142	28.3
265.09222	12.9
265.81790	3.4
277.09149	8.2
295.10196	51.1
325.11310	7.7
439.97925	3.4
482.16449	3.5
635.20325	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	624.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.0
67.05499	4.3
69.07059	3.1
79.05484	1.2
80.05016	1.4
81.07050	2.4
83.01324	4.9
83.06105	2.9
83.08617	1.8
84.04511	5.2
95.08610	3.3
95.68593	1.0
98.23473	1.8
99.05569	1.4
107.06077	1.4
109.10139	1.5
112.03899	1.2
117.86068	1.0
129.06638	2.2
130.05020	4.1
136.04012	1.3
139.07544	1.4
145.06140	1.5
146.06024	2.8
148.07652	1.0
153.05510	2.1
153.06618	4.2
154.03159	1.2
155.01591	1.1
155.08186	1.1
162.03664	1.4
163.02055	1.6
166.03148	1.0
166.04953	1.0
174.05516	1.9
175.06245	3.5
176.04715	0.9
176.07068	4.8
177.05469	2.6
178.03267	4.0
178.05003	7.3
179.01697	1.2
179.05681	1.6
180.04773	6.5
181.03233	1.9
181.06110	1.7
182.02687	7.4
183.01088	1.5
184.04222	1.4
185.02696	1.4
192.04782	2.5
192.06567	3.1
193.03209	2.2
194.02684	2.2
195.03549	1.1
196.04297	2.4
199.07109	3.0
208.04279	41.0
209.02693	6.7
209.04659	2.0
210.05832	3.2
211.02959	12.5
212.03728	4.6
222.05867	2.1
224.07378	1.0
229.31960	1.1
233.06328	1.1
236.07472	1.8
240.43135	1.1
257.07617	1.1
270.29648	1.1
282.06525	1.1
283.07422	1.2
302.19095	1.2
311.06897	7.6
340.17499	1.0
356.20624	1.2
374.21457	7.8
392.22519	22.5
430.02234	1.2
449.24631	2.3
458.23807	1.6
459.23306	1.1
477.24170	100.0
478.24268	5.3
495.25070	3.2
549.26477	11.3
624.28967	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	624.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17934	6.5
54.56929	7.8
69.51302	30.6
98.23475	16.8
109.54841	7.5
117.43951	7.0
123.04428	9.3
136.02626	7.3
137.06012	8.1
143.69872	7.7
153.05496	14.4
155.07027	9.6
167.07086	15.2
181.04918	12.0
181.08615	19.1
182.05684	15.7
183.06540	24.8
184.07283	19.5
185.04462	10.2
190.90503	7.6
195.10120	9.5
196.07320	39.1
197.08099	100.0
198.08833	14.8
200.06798	16.5
211.09659	86.4
225.11246	11.5
227.09201	23.7
241.10641	7.7
305.07242	8.2
430.81653	7.5
447.95285	8.8
482.01129	9.8
511.30560	10.5
543.33228	13.9
544.33307	10.8
547.36066	22.8
575.35565	32.3
607.38574	79.1
611.36438	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	624.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63135	0.8
57.59742	0.8
62.96210	0.8
67.05505	1.7
91.05508	1.4
98.23459	1.6
101.50427	0.8
121.06563	1.0
123.04428	9.9
123.08154	0.7
136.05185	1.6
137.06024	2.1
151.03893	1.5
151.07553	1.1
152.08334	2.8
153.05452	3.7
153.09114	0.9
166.06282	3.4
167.03413	1.4
168.07881	2.7
169.05043	1.8
179.07021	0.9
179.10774	0.9
181.04958	43.1
181.08589	2.9
182.05644	4.5
183.06519	1.3
184.07330	3.3
196.07318	100.0
197.07970	5.9
198.08887	2.4
199.09724	1.5
207.10191	5.5
210.08847	1.2
211.09657	75.9
212.10056	1.5
221.11760	2.4
225.11269	1.3
229.32584	0.9
256.58197	0.9
359.19159	0.7
391.28470	3.9
450.19308	0.8
450.94672	0.9
461.45923	0.8
497.32907	0.9
511.30478	1.1
515.33673	2.1
525.31860	2.6
557.34674	4.1
558.35510	2.5
589.37476	9.8
590.37238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1763
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
53.03934	2.1
55.05518	3.0
57.03431	13.4
66.85394	1.4
67.05494	1.8
69.03418	10.1
69.63334	3.5
69.63721	3.0
71.01379	2.1
71.04990	68.1
73.02908	10.5
75.04462	4.1
83.04974	15.6
85.02899	79.4
87.04485	2.5
95.04961	3.4
98.52226	1.4
99.04459	5.6
103.03957	2.6
104.29472	1.5
109.02873	2.2
111.04449	6.9
117.05488	8.3
127.03848	3.3
129.05486	21.5
137.02313	1.4
137.06018	2.5
139.03937	2.1
147.06480	8.5
148.32712	1.6
153.01854	4.2
153.05472	4.4
161.05959	2.4
163.06027	7.0
167.03401	2.6
167.06894	1.5
171.06635	1.6
179.06937	1.8
203.07018	3.0
219.03001	3.9
233.04480	2.9
239.09074	2.7
244.03612	2.0
245.04503	1.7
253.08633	2.6
285.11127	3.4
288.74884	1.7
289.03448	2.9
290.04089	2.7
301.03479	2.5
317.06583	3.1
318.03690	29.9
327.12225	8.6
330.03699	6.5
331.04434	10.6
332.05209	4.1
333.06021	100.0
334.06384	3.8
342.03745	3.8
343.04523	2.0
345.06073	12.1
357.06067	5.2
357.13177	3.6
358.93930	1.5
360.04694	3.5
375.07089	31.0
399.06985	7.0
410.05795	1.7
419.17136	2.4
425.08746	3.3
443.09668	11.9
461.10565	7.8
479.11899	22.9
480.11520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1764
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03926	0.4
55.01861	0.3
55.05513	0.4
57.03437	1.6
61.02910	0.5
63.55514	0.2
68.49403	0.2
69.03422	1.3
69.33073	0.7
69.33474	0.4
70.06571	0.3
71.04990	10.4
73.02905	0.5
75.04471	0.3
81.03406	0.5
83.04982	0.5
83.08578	0.3
84.15881	0.3
85.02902	14.2
92.02624	0.4
92.18857	0.2
94.78463	0.2
97.02911	1.5
100.11230	0.6
109.02869	0.3
111.04433	0.4
119.08588	0.2
121.02856	0.7
127.03880	0.8
129.05470	3.2
135.04405	0.3
139.03874	1.1
145.04951	0.8
147.06505	1.0
151.03922	0.6
153.01817	3.9
158.91884	0.2
165.01871	0.3
182.15392	0.6
189.09148	0.3
201.05423	0.7
210.14885	1.1
217.04950	0.3
218.05823	0.4
219.10178	0.6
219.34335	0.2
228.04189	0.9
229.04979	1.8
245.04485	0.5
246.05251	1.1
257.04453	1.6
271.05969	0.3
273.03970	1.2
274.04712	3.3
284.03122	0.3
285.03931	2.5
288.06110	0.3
302.04181	9.6
303.04385	0.3
315.13312	1.0
317.06528	100.0
318.06885	4.0
449.54898	0.3
479.11868	0.4
623.59625	0.3
625.21747	1.3
625.42889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05510	1.9
57.03434	2.4
57.07074	0.7
61.02923	3.8
67.05506	12.2
69.03427	3.9
69.07081	1.7
71.01350	0.7
71.04971	1.2
73.02908	2.7
79.05495	3.8
81.03424	4.2
81.07057	8.7
83.05000	1.4
83.08630	2.1
85.02913	4.1
85.06570	0.8
91.03947	3.0
91.05465	2.8
93.07044	6.3
95.04965	0.6
95.08614	2.5
97.02897	4.1
97.06528	0.9
99.04450	0.9
101.02390	1.5
105.07059	1.6
107.08588	2.8
109.02891	1.5
109.10149	5.9
111.08109	1.2
117.07050	1.1
119.08568	1.2
121.06557	0.7
121.10153	1.5
127.03936	2.2
129.07036	0.5
131.08589	1.9
133.10164	1.8
135.11739	1.5
147.11705	0.6
149.13283	2.5
157.10158	0.6
159.11714	2.1
173.04512	0.6
173.11813	1.5
177.12746	1.0
185.04210	0.5
195.10048	0.8
195.13826	1.2
227.50851	0.7
229.14352	0.8
235.13109	0.8
243.08495	1.9
243.15904	1.0
269.17526	2.0
339.18338	0.7
342.26593	0.6
371.26276	0.6
413.17712	6.7
423.27383	0.7
437.29214	0.7
445.29657	2.6
453.20990	7.9
463.30896	2.9
566.68457	0.5
607.34991	1.5
625.31934	100.0
626.32281	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	625.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01864	0.7
55.05507	3.8
57.03437	3.3
57.07078	0.7
61.02918	4.6
65.03940	0.5
67.05499	13.3
69.03426	4.6
69.07063	5.1
70.51989	0.8
71.01364	0.5
71.04978	1.6
73.02917	3.0
79.05488	6.7
81.03410	6.3
81.07053	14.5
83.04983	2.1
83.08610	3.4
85.02895	6.0
85.06535	1.2
87.04456	0.8
91.03952	2.2
91.05467	5.4
93.07043	9.0
95.04955	1.9
95.08598	4.2
97.02877	4.5
97.06535	1.2
97.10166	0.5
99.00817	0.7
99.04448	1.5
101.02370	1.4
105.07009	3.0
107.04949	1.1
107.08587	5.2
109.02878	1.7
109.06495	0.5
109.10152	5.5
111.04424	0.5
111.08082	1.1
115.03906	0.4
117.07009	2.0
119.08562	1.7
121.06473	0.8
121.10130	3.7
123.04418	0.4
123.08063	0.5
127.03894	2.4
129.05469	0.8
129.07013	0.9
131.08557	2.7
133.10126	2.9
135.08043	0.4
135.11688	2.2
136.11998	0.4
139.52411	0.4
141.07007	0.3
143.08557	0.7
145.04988	0.5
145.06436	0.5
145.10152	1.1
147.08034	0.6
147.11595	0.7
149.06030	0.3
149.09668	0.4
149.13271	4.5
151.11208	0.4
153.05438	0.6
155.08607	0.7
155.10692	0.7
157.10115	0.5
159.11694	1.9
160.12218	0.3
163.11238	0.4
165.12770	0.5
171.11743	0.5
173.04486	0.7
173.11774	1.7
177.02760	0.3
177.12791	1.4
181.04964	1.8
183.06500	0.4
183.11801	0.4
185.04187	0.5
189.09192	0.3
195.06517	3.7
195.09937	0.5
195.13791	2.7
198.45526	0.4
209.08017	2.0
213.14818	0.4
223.09625	2.4
229.14363	1.1
235.13121	1.0
237.11224	2.3
243.08366	1.8
245.94138	0.4
249.11292	0.4
251.12662	1.8
251.16582	0.4
269.17422	5.7
279.16074	0.3
280.26871	0.3
307.19080	0.4
321.17053	0.5
339.18021	0.7
371.25763	0.7
389.26917	1.0
395.20639	0.6
413.17444	7.3
413.21710	1.2
445.28558	2.9
453.20932	8.7
454.21167	0.4
463.29736	3.0
463.35297	14.2
464.35367	0.6
528.89081	0.4
589.33459	0.6
607.34686	7.1
608.35059	0.6
625.31836	100.0
626.32141	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	625.358
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
51.02383	1.0
53.03940	1.3
55.01868	1.3
55.05513	10.0
57.03431	2.3
57.07072	0.8
57.87323	0.7
61.02940	1.6
65.03937	1.6
67.05164	1.2
67.05508	22.5
68.60368	0.7
69.03426	1.5
69.07071	8.5
69.38272	3.0
71.04992	1.8
71.59112	0.6
73.06562	0.6
79.05038	1.3
79.05492	19.4
81.03413	1.0
81.07057	24.8
82.07375	0.8
83.04988	1.1
83.08628	3.4
83.56714	0.6
85.02895	1.5
85.06544	2.1
91.05479	26.6
93.07044	19.6
93.31680	0.6
95.04977	4.3
95.08606	14.0
97.06544	3.0
97.10175	2.2
103.05485	1.3
105.04501	1.5
105.07031	25.6
105.07741	1.3
107.04961	1.9
107.08595	9.8
109.06541	3.1
109.10150	5.5
111.04194	0.6
111.08097	0.8
115.05453	1.4
116.52794	0.6
117.07020	13.6
119.08575	16.5
119.09418	0.9
121.06492	2.8
121.10145	8.0
123.08098	2.1
123.11707	1.2
125.09677	1.7
127.55025	0.6
128.06226	1.8
129.06993	9.5
131.08568	23.0
133.06477	1.4
133.10135	10.7
135.08060	2.4
135.11710	4.1
137.09669	1.5
141.06964	3.2
142.07829	1.1
143.08553	8.5
145.06517	1.7
145.10130	15.0
147.08078	2.5
147.11688	2.9
149.09619	2.5
149.13275	1.5
151.07684	0.7
151.11194	0.9
155.08524	3.6
157.10115	6.9
159.07993	1.2
159.11713	6.3
161.09648	1.8
161.13156	0.9
167.08615	2.0
169.10159	4.3
171.08098	0.9
171.11653	5.2
173.09686	0.8
173.13237	3.2
175.11134	0.7
181.10136	1.9
182.10884	0.8
183.11667	4.4
185.09628	0.9
185.13234	4.0
187.11157	1.0
187.14830	1.2
189.12711	1.0
189.16411	0.8
195.11713	2.4
197.13243	2.5
199.14850	1.6
201.12721	1.0
201.16365	1.0
203.14302	0.8
209.13321	2.3
211.14853	1.6
213.12720	0.8
213.16351	0.9
215.14378	1.2
222.73215	0.8
223.14778	1.3
225.16435	0.7
227.14365	1.4
233.15353	0.8
237.16446	1.0
241.15898	1.3
247.16991	1.3
259.17020	0.8
261.18549	1.1
273.18323	1.0
325.25266	2.4
335.23697	2.6
343.26343	3.7
353.24701	9.7
371.25845	13.5
372.26282	0.8
389.26886	13.9
409.27322	0.9
427.28412	2.3
445.29486	100.0
446.29803	5.6
463.30527	51.8
464.30905	2.8
538.08307	0.7
625.31268	2.5
625.39984	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	625.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05511	5.2
57.03432	1.1
58.64617	0.7
61.02901	0.8
67.05502	14.4
69.07059	4.7
69.25137	1.2
69.25539	2.2
71.04974	1.6
79.05491	12.1
81.03422	0.8
81.07054	14.8
83.04982	1.7
83.08612	2.7
85.06535	1.2
87.20931	0.6
91.03961	0.8
91.05474	16.0
91.06055	0.9
93.07042	11.7
95.04971	3.0
95.08601	9.6
97.06503	1.3
97.10166	2.0
98.22656	0.9
101.30246	0.7
105.07019	17.1
107.04993	2.1
107.08575	5.9
108.88337	0.7
109.06512	1.7
109.10162	2.6
111.08026	1.1
117.07005	9.4
119.08569	11.3
121.06524	2.0
121.10128	5.4
123.08038	0.9
129.06987	5.7
131.08560	14.3
133.06516	0.7
133.10117	7.9
135.11684	1.4
139.89645	0.7
140.08200	0.6
141.06964	1.8
141.69466	0.6
142.07712	0.9
143.08527	5.5
145.10101	9.7
147.08006	1.9
147.11658	2.1
149.09627	1.6
155.08514	3.6
157.10138	4.4
158.87379	0.7
159.08084	1.1
159.11691	4.4
167.08571	1.1
169.10109	4.0
171.11617	3.6
173.13200	1.2
181.10071	1.5
183.11684	2.0
185.13158	1.6
187.14835	1.4
189.12759	1.3
195.11713	1.5
197.13280	2.2
199.14775	1.7
209.13307	1.5
211.14821	1.4
213.16370	1.0
215.14278	1.3
223.14847	0.9
225.16315	1.0
247.17041	1.2
318.49588	0.8
325.25302	1.3
335.23734	1.3
342.16660	0.7
343.26324	2.7
353.24792	6.7
371.25742	8.7
389.26761	9.2
390.26947	0.7
417.29791	0.7
427.28333	1.8
445.29459	100.0
446.29663	4.4
463.30490	23.8
464.30981	1.4
518.35992	0.8
520.71326	0.8
625.32159	2.8
638.14478	0.8
641.79742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00076	0.1
57.07072	0.2
58.07393	0.1
64.01658	0.1
67.01622	0.2
68.02413	0.4
71.45708	0.1
83.01099	1.3
89.06026	0.2
95.04728	0.2
96.05506	0.1
98.03437	0.4
100.10250	0.1
103.27477	0.1
111.04205	3.0
111.04953	0.2
112.04976	0.5
123.24218	0.1
125.05741	0.1
125.55662	0.1
126.06581	0.1
127.03671	2.0
130.35706	0.1
133.08539	0.1
139.07315	0.5
140.08067	0.1
141.05280	0.4
142.06018	0.6
155.06808	1.7
156.07594	0.6
170.09187	0.2
171.06270	1.3
183.09944	0.5
184.10812	0.2
185.07877	0.3
186.08659	0.5
188.06596	0.2
199.09407	2.4
200.10255	0.3
213.10957	0.2
214.11746	0.4
215.08882	1.1
227.12621	0.4
230.11247	0.1
243.12009	0.8
257.13702	0.2
259.11710	0.3
271.15121	1.0
287.14691	1.7
303.14011	0.7
315.17807	0.2
331.17429	0.4
347.16913	0.4
375.19974	0.9
391.19510	0.6
419.22733	0.2
421.56555	0.1
513.26648	0.5
553.29785	0.8
554.31335	0.1
615.07721	0.1
625.39191	100.0
626.39545	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	625.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03827	0.9
53.04053	0.6
53.49394	0.5
55.01757	0.6
55.05350	3.1
55.05653	3.9
57.03274	1.6
57.03585	2.0
57.06947	0.9
57.07193	1.1
59.04856	0.6
61.02733	1.8
61.03084	2.9
65.15478	0.5
67.05262	5.1
67.05675	8.9
69.03171	2.3
69.03604	4.5
69.06815	2.9
69.07246	5.3
71.01480	0.7
71.05141	1.2
71.08765	0.7
73.02654	1.0
73.03094	2.6
79.05186	1.8
79.05689	4.3
81.03094	1.5
81.03612	4.1
81.06721	3.7
81.07256	9.6
83.05161	1.6
83.08271	1.5
83.08824	3.5
85.02531	2.8
85.03114	7.9
85.06724	1.0
87.04620	0.9
91.04161	1.8
91.05077	0.9
91.05701	4.0
93.06620	1.9
93.07266	6.4
95.04602	1.0
95.05146	1.0
95.08176	1.4
95.08833	3.2
95.92635	0.6
97.02438	1.2
97.03120	4.6
97.06738	1.5
97.10381	1.6
98.22723	1.7
99.00357	1.4
99.01056	3.0
99.04682	2.8
99.18099	0.6
100.49976	0.5
101.02003	1.0
101.02569	1.0
105.04667	0.6
105.06596	1.1
105.07283	2.0
107.08046	1.4
107.08834	4.5
109.03104	1.9
109.06693	0.8
109.09598	1.1
109.10403	4.6
111.08258	1.2
111.11970	0.7
113.02531	0.9
115.04115	0.6
117.07219	1.3
117.13153	0.6
119.08031	0.7
119.08838	1.8
121.10423	2.5
123.04627	0.7
127.04203	3.3
131.07980	0.8
131.08849	2.0
133.10429	2.6
135.08281	1.2
135.11029	0.7
135.11980	1.6
137.06197	1.1
137.09857	0.7
139.07845	0.6
141.71049	0.6
145.05099	0.6
145.10333	0.8
147.11884	0.8
149.09822	1.3
149.13600	2.7
153.05780	1.8
155.11000	0.7
159.11995	1.8
161.06201	0.8
163.07759	1.1
173.04761	0.7
173.12062	2.0
177.05765	0.7
177.09384	1.2
177.13016	1.0
181.05302	9.2
183.06845	1.8
189.09338	1.2
191.07278	1.0
191.11044	0.6
195.04906	1.6
195.06889	19.9
195.10306	1.0
195.14156	2.5
196.07216	0.5
203.10927	0.8
205.08939	0.8
209.06319	0.7
209.08450	10.7
213.15057	0.6
223.07726	0.6
223.10031	11.1
229.14661	1.2
229.39709	0.6
235.13359	0.6
237.11610	9.3
243.08813	2.2
249.11406	1.2
251.13148	6.7
265.14752	4.0
269.17508	4.3
279.16269	1.6
291.16028	1.3
293.17847	1.7
296.18188	0.7
307.19397	1.9
319.19318	1.1
321.20859	1.1
335.22574	0.6
363.25510	0.8
371.26108	0.7
389.27124	1.2
413.17560	7.2
413.21634	1.1
445.33807	7.6
453.20920	8.6
463.34396	88.4
464.34998	6.2
607.34729	5.2
608.35211	0.7
625.31738	100.0
626.31897	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	626.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20024	0.7
55.01869	1.4
55.46968	0.7
57.03436	13.9
59.05011	0.9
61.02936	6.0
65.91281	0.8
69.03426	19.0
69.03799	1.3
71.01353	2.2
71.45752	0.8
71.81232	0.8
73.02916	30.0
75.12612	0.9
79.05505	0.8
81.03422	1.6
85.02905	20.2
85.03419	1.4
86.90911	1.1
87.04457	1.0
93.07052	1.4
95.08627	1.8
97.02889	30.8
99.04474	1.2
105.07022	2.4
109.02897	1.8
115.03121	1.6
115.03925	23.6
115.04713	1.4
119.08601	1.4
127.03891	6.9
133.04971	5.3
135.08064	1.0
137.05986	1.1
144.06557	1.5
145.04941	7.3
151.03914	2.2
157.10184	1.1
159.11713	1.7
161.05980	0.9
163.03906	4.4
163.06041	1.7
163.07452	1.2
163.49094	0.9
168.05721	2.1
179.07062	0.9
180.08626	0.9
182.07347	0.9
183.08052	11.0
196.05228	1.8
197.06046	1.0
200.08609	0.8
211.07574	9.0
215.14462	1.1
220.56853	0.8
223.05981	1.8
226.06273	1.7
227.06981	0.9
228.08078	1.0
233.15535	1.2
236.24602	0.9
239.07059	7.2
241.06947	1.9
243.10144	24.9
244.10370	1.0
254.05733	2.1
255.06491	1.5
256.07330	4.9
259.08087	1.3
269.08081	3.9
271.09656	5.7
282.05219	1.4
283.06100	1.4
287.09119	17.5
297.07538	11.1
315.08609	100.0
316.08890	3.0
339.08704	2.1
411.10376	1.0
436.65430	1.0
443.07065	0.9
447.12488	1.4
457.37405	0.9
488.70596	0.7
626.23999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01863	1.6
57.03426	2.5
68.99803	0.7
69.03425	6.2
70.66676	0.7
71.04994	9.9
73.02899	1.4
81.03414	5.6
85.02907	24.5
87.00826	4.6
87.04473	0.9
91.03952	0.6
91.05457	0.9
94.02357	0.6
97.02890	7.0
99.04451	2.2
105.01856	3.1
108.04504	0.7
109.02892	4.3
115.03878	1.4
121.63876	0.6
123.04444	0.8
124.83206	0.7
125.02267	0.7
127.03914	6.4
128.06223	1.5
129.01865	1.0
129.05481	1.3
129.07024	3.1
131.04903	1.2
131.08569	5.8
137.05980	4.1
141.06999	3.8
143.08562	1.1
144.05655	0.9
145.04985	4.1
145.06029	0.8
151.07555	0.7
153.01822	2.1
155.03384	3.4
157.06444	3.9
158.07251	2.0
159.02892	2.4
159.08031	5.2
160.05258	1.0
161.04436	2.2
161.05800	0.6
163.07494	0.9
165.01814	1.2
169.06512	2.3
170.07202	0.8
171.08035	1.8
174.06750	10.7
175.07535	3.6
177.09050	0.6
186.06732	2.3
187.07451	0.7
188.08325	0.8
189.09099	20.7
191.10629	2.4
201.09131	7.7
203.10655	12.2
215.05138	0.6
219.10158	100.0
220.10475	4.1
221.11771	1.3
231.04982	1.5
237.11163	2.7
245.04482	1.2
247.04462	2.4
265.05518	1.3
273.04004	2.0
285.16989	1.4
319.04474	41.3
341.13654	1.0
467.15451	1.8
481.09778	7.0
553.40601	0.8
626.45416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01870	6.4
55.05493	0.9
57.03438	3.8
59.20695	0.7
60.56226	0.6
61.02912	2.9
65.03918	0.9
67.05490	1.1
67.59776	0.7
68.99789	1.5
69.03066	1.0
69.03426	17.4
71.01377	0.6
71.04979	2.3
73.02926	5.0
79.05488	1.2
81.03414	16.5
81.07036	1.8
85.02905	43.0
87.00831	19.1
87.01363	0.4
87.04471	0.8
91.03967	1.5
91.05467	6.6
92.13819	0.7
93.07043	1.4
94.04186	1.4
95.04967	2.7
97.02262	0.9
97.02889	17.4
99.04467	6.5
101.02409	0.7
103.03936	0.8
103.05462	2.0
105.01864	14.4
105.07029	2.5
106.81287	0.7
107.04955	2.6
109.02187	1.3
109.02884	15.1
111.04440	1.9
115.03943	3.2
115.05432	0.9
117.01855	2.0
117.07007	1.4
117.80325	0.7
119.04932	6.0
121.06493	1.9
122.03627	3.7
123.04426	1.0
127.03913	23.1
129.01817	1.7
129.07004	2.9
129.35178	0.6
131.04915	5.0
133.06487	1.1
135.04393	0.7
135.08052	2.3
136.05232	0.9
137.05975	64.6
138.06378	1.2
143.08644	0.7
145.04951	10.2
145.06540	1.0
147.02869	1.4
147.04341	1.4
147.08051	1.1
149.05981	6.2
151.03949	4.4
151.07538	41.5
152.07933	1.1
153.01743	0.8
157.06470	4.2
159.02908	7.6
159.08044	0.6
161.05977	10.3
161.09694	1.6
163.03911	0.8
163.07549	20.4
164.08012	0.7
165.05629	0.7
165.07004	1.5
165.09102	1.7
167.08536	4.0
169.04947	1.2
169.06319	0.9
171.08014	1.1
174.06760	2.8
175.07555	10.9
177.05408	0.9
177.09097	16.8
178.07811	1.6
179.08583	1.0
181.06511	1.2
181.10110	0.9
183.02824	0.7
186.74896	0.7
187.07574	2.2
189.03940	1.3
189.09099	14.5
191.07051	1.2
191.08630	0.8
193.06517	1.6
193.08530	1.2
193.10164	2.2
194.07350	1.0
195.08063	6.4
195.10152	2.9
195.17229	0.6
197.05971	1.1
199.07515	1.2
201.03886	1.2
201.09102	2.1
203.07066	2.3
206.07312	0.9
207.08325	0.9
207.10162	4.0
209.07924	3.7
209.09378	1.0
209.09789	1.4
210.06860	1.3
211.07516	2.4
212.08337	2.0
213.03848	0.7
215.07047	1.0
217.08655	1.2
219.05029	2.7
219.08060	1.6
219.10191	3.6
221.05981	2.8
221.09601	3.7
221.11810	2.7
222.10045	0.8
223.07574	4.0
224.08145	0.7
225.05525	0.9
225.09015	4.0
227.07071	1.1
227.10619	10.9
231.04979	4.8
231.10034	1.0
233.09724	1.0
235.07555	1.2
237.09077	1.9
238.06381	0.9
238.09889	1.4
239.06998	1.4
239.10521	0.9
240.07744	1.2
241.08891	0.7
248.08406	0.9
249.06389	1.1
249.09061	3.3
249.11261	4.9
251.10701	0.8
253.08620	6.0
253.12230	6.5
255.10156	12.3
261.08917	1.2
261.11288	2.3
262.09866	1.0
263.10507	0.9
265.08563	2.8
267.10117	3.4
269.07999	2.0
269.11713	0.8
270.08914	1.1
272.10373	1.1
273.11237	1.3
277.08524	1.6
278.09210	1.1
279.10208	1.9
281.11774	2.7
282.08817	0.7
284.10474	1.9
285.11169	10.2
287.09708	1.2
287.12769	19.6
291.09912	1.3
291.12747	0.9
293.11761	2.6
297.11169	4.5
299.09183	3.2
299.12787	9.4
301.14532	1.1
301.93961	0.7
305.11740	1.5
307.09775	1.2
309.11111	2.7
310.11853	1.1
311.12769	9.5
313.14340	16.8
315.12830	1.5
316.13422	0.8
321.11200	1.7
323.12646	1.7
325.14340	1.4
326.11624	0.8
329.14154	0.8
331.15390	100.0
332.15741	3.5
335.12775	2.8
337.14267	2.2
341.13806	1.9
343.15402	31.1
344.15787	1.2
349.14334	1.2
353.13748	2.4
355.15314	8.6
365.13846	1.6
367.15466	5.4
368.15781	0.9
373.16214	1.0
379.15390	2.4
385.16177	1.6
393.16922	0.9
397.16574	5.0
403.15369	3.0
417.15469	1.4
419.13354	2.3
421.16470	12.5
437.15070	1.1
439.17407	5.7
457.19101	1.0
507.16409	1.5
525.17212	4.0
543.18646	9.3
544.18713	1.0
561.19531	5.9
579.20605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01866	6.3
57.03433	3.4
58.63164	0.9
61.02932	3.9
67.05507	1.3
69.03432	16.8
71.01350	1.3
71.04994	1.7
73.02931	4.4
79.05482	1.9
81.03426	16.1
81.07048	1.4
85.02905	43.7
87.00829	18.1
91.05476	6.7
93.07065	1.5
94.04188	1.6
95.04982	2.9
97.02898	17.8
99.04463	6.7
103.03948	1.1
103.05493	2.5
105.01869	13.7
105.07026	1.9
107.04973	2.8
109.02888	13.7
111.04454	2.1
115.03938	2.1
117.01847	2.7
117.02656	0.9
119.04951	7.0
121.06511	2.4
122.03648	3.5
127.03911	22.1
129.01849	2.1
129.07011	6.2
131.04926	4.7
133.06480	1.5
135.08067	2.3
137.05975	63.0
139.03926	1.6
143.04965	1.5
145.04974	9.3
145.06026	1.1
145.06496	1.0
147.02937	0.9
147.04471	1.6
147.08044	1.5
149.05954	7.4
151.03940	6.0
151.07539	41.5
151.08739	2.2
152.06174	1.2
157.06526	6.0
159.02899	6.4
159.08081	1.1
161.06000	11.0
161.09619	1.5
163.07547	16.0
165.05614	1.0
165.07024	1.7
165.09134	2.0
167.08606	3.5
169.04955	3.1
169.06380	1.1
171.07985	1.4
174.06755	3.0
175.07544	9.4
177.09113	16.6
178.84579	0.9
181.06471	1.1
181.10074	1.0
183.08133	1.2
189.03902	1.6
189.09096	15.3
191.06970	1.3
193.06534	1.6
193.10124	1.7
195.08081	7.0
195.10168	3.0
197.06020	1.0
199.07507	1.7
201.09152	2.7
202.07828	1.4
203.07056	2.8
207.08189	1.3
207.10184	4.4
209.04480	2.5
209.08087	4.0
209.09827	1.7
210.06696	2.2
211.07481	1.9
219.04999	3.3
219.10181	4.5
221.05983	3.7
221.09654	3.8
221.11731	2.6
223.07605	4.7
225.09027	2.5
227.10666	10.4
231.04977	3.8
233.09645	1.1
237.09079	2.5
238.09969	1.6
239.07050	1.8
240.07733	1.3
241.08775	1.2
248.08182	1.2
249.09065	2.9
249.11296	5.4
250.09746	1.0
253.08807	4.6
253.12227	6.6
255.10135	11.9
257.08069	1.4
261.11328	1.7
263.10764	1.4
265.08557	2.4
267.10226	2.7
269.08121	2.4
273.11383	1.6
279.10159	1.6
281.11697	1.8
285.10971	8.1
287.12787	18.7
293.11749	2.7
297.11288	5.1
299.09180	12.7
299.12735	7.3
301.14319	1.1
305.11786	2.9
309.11316	2.2
311.12805	8.8
313.14355	17.3
315.12823	1.5
316.13766	2.6
321.11130	1.5
323.12796	1.7
325.14240	2.7
331.15393	100.0
332.15625	5.5
333.11136	1.3
335.12732	2.9
337.14587	1.5
341.13879	2.1
343.15463	27.9
353.13940	2.0
355.15439	10.2
365.13950	2.0
367.15305	6.6
379.15396	2.2
385.16565	1.8
389.14023	1.3
397.16537	5.8
403.15430	3.9
419.13489	1.1
421.12039	1.1
421.16614	9.9
439.17532	4.8
440.19128	1.0
457.18396	1.2
507.16357	1.5
525.17572	5.6
543.18341	8.3
561.19659	5.9
579.20679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01344	0.5
53.03906	0.6
55.01865	0.9
57.03427	2.0
61.02907	2.1
64.35966	0.6
64.72810	0.5
67.05496	2.3
69.03428	6.4
69.07056	3.2
70.59222	1.1
71.04990	0.9
79.05504	1.8
81.03394	2.3
81.07056	5.4
83.01339	1.3
83.04999	1.0
85.02409	1.3
85.02906	22.2
87.04438	0.6
87.85812	0.7
91.05476	1.6
93.07081	1.0
95.04956	0.7
95.08588	1.9
95.82092	0.7
97.02895	4.5
97.06537	1.7
99.04455	1.1
105.07038	1.1
106.04652	0.6
107.04958	1.3
109.02876	1.5
109.06528	0.7
111.08102	1.4
119.08558	1.8
121.06507	0.8
123.04411	2.2
125.05996	6.0
127.03905	4.5
129.07040	1.0
133.06454	0.7
137.04947	0.9
137.05980	17.4
139.03894	9.6
141.05452	3.2
145.04959	7.5
145.06007	0.7
145.06580	0.8
147.04414	0.8
147.08055	1.5
147.11661	1.6
147.68828	0.7
149.18459	0.5
151.07597	0.7
153.05473	37.7
154.05946	0.6
155.03391	1.3
157.10149	2.6
159.08073	2.0
161.05984	3.9
161.09555	0.7
163.03925	1.8
163.05980	1.8
163.07492	1.6
165.05481	2.3
165.09161	0.8
167.03419	1.0
167.08574	1.6
169.04980	12.5
174.06767	1.7
175.07565	2.5
175.11192	7.4
177.05490	1.2
179.03401	10.3
179.06989	3.0
181.04951	1.2
185.09590	6.9
187.07594	1.0
187.11139	1.0
188.08264	0.9
189.09123	1.7
193.04933	1.8
193.08624	0.8
193.12250	10.7
195.28070	0.6
198.06908	0.8
201.09117	0.9
203.10669	15.4
204.11101	0.6
205.08618	0.9
213.09108	9.3
219.10170	4.5
221.11723	31.9
222.11975	1.2
224.62302	0.7
231.10165	35.2
232.10597	1.1
235.13072	1.0
235.89847	0.5
237.33150	0.6
249.11223	47.2
250.11679	1.7
261.03793	1.1
267.12274	100.0
268.12531	3.4
270.00113	0.6
273.04010	0.6
285.13342	14.6
319.04538	0.7
468.81451	0.6
591.11328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63223	0.7
55.01862	2.0
55.05499	3.4
57.03433	1.4
57.06857	0.6
57.07076	6.6
61.02922	1.8
65.03931	1.6
67.05497	4.2
68.99789	2.4
69.03424	5.9
69.07063	7.4
71.04991	1.8
71.08615	1.0
71.44123	0.7
73.02892	0.8
79.05502	1.7
81.03407	3.1
81.07048	5.1
83.08604	1.4
84.53295	0.8
85.02899	19.1
85.06529	4.3
91.05476	2.8
93.06979	0.9
95.04961	2.8
95.08601	2.6
97.01846	0.8
97.02879	4.4
97.10181	0.7
99.04435	0.8
105.07021	3.3
107.04942	1.7
109.02865	3.5
109.06516	1.7
109.10163	0.9
111.04444	7.1
115.05460	1.6
117.06973	0.9
119.04913	4.5
119.08562	2.9
121.02856	1.4
121.06515	1.4
123.04423	31.5
123.08018	0.7
123.11714	1.2
125.02382	0.9
127.03905	30.2
129.06996	1.3
133.02829	0.9
133.06485	9.2
133.10092	1.1
135.04379	1.3
135.07973	1.1
137.02328	1.3
137.05975	4.6
139.03889	61.7
140.04198	1.3
143.08488	0.9
145.04974	4.7
145.06477	1.7
147.04388	10.0
147.08032	8.3
147.11592	0.9
149.05937	3.8
151.03888	8.1
151.07501	2.0
152.04201	0.9
153.05443	5.2
155.03378	94.9
156.03685	1.3
157.06467	1.6
160.49136	0.7
161.02318	1.4
161.05978	15.3
161.09563	1.7
161.13278	1.0
163.03905	12.3
163.06027	1.9
163.07526	4.5
165.05476	34.9
167.03444	0.7
167.06963	1.0
173.09702	0.9
175.03969	1.7
175.07549	6.5
175.14813	1.5
177.05473	2.3
179.03432	13.3
179.07018	40.4
180.07242	0.8
185.05972	1.0
185.13222	1.2
187.07594	0.8
189.05463	3.3
189.09079	2.8
191.07133	0.9
193.05013	1.1
193.08607	2.0
193.15865	2.4
193.35327	0.8
203.07063	2.2
203.14304	11.2
205.04985	6.7
213.12741	1.2
213.85286	0.9
217.04947	1.1
221.04442	10.5
221.15347	18.4
221.17439	1.2
222.15793	0.8
229.04932	1.1
231.13780	12.7
245.04372	3.1
245.08047	1.6
245.15289	0.9
249.14839	53.5
250.15190	2.1
256.45505	0.9
263.05475	2.3
267.15897	100.0
268.16275	3.7
272.19183	0.8
273.14835	1.8
285.13770	1.7
285.16956	34.6
286.17328	0.8
289.07156	1.7
291.15811	4.1
309.16925	6.7
315.15756	4.0
319.04407	1.5
329.46365	0.7
333.16837	6.4
351.17996	15.4
357.16708	1.9
363.18036	0.9
364.88919	0.9
375.18033	4.1
393.19016	4.2
435.84238	0.8
602.50195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94678	4.6
67.05497	7.4
70.59927	8.4
79.05501	10.8
81.07043	12.7
91.05491	7.3
93.07015	6.3
94.89816	4.2
95.04939	5.0
101.72897	4.3
104.28852	4.1
105.07028	5.6
107.04990	4.7
109.06509	13.8
121.06548	6.8
123.04407	6.4
125.05987	9.2
129.54720	4.1
137.05981	28.7
139.03893	8.5
139.07495	13.3
140.04730	6.5
150.89299	4.5
151.07549	8.9
152.04634	5.1
153.05437	17.7
155.07074	11.2
155.86664	4.4
167.07082	34.0
169.04955	29.1
169.08617	7.7
171.06451	5.5
179.06950	5.6
181.08556	40.2
182.05746	8.2
183.06534	84.4
184.07242	14.2
185.04489	15.0
195.10194	6.3
196.07259	4.9
197.04410	10.6
197.08127	62.3
199.05969	10.5
199.09645	9.1
200.06847	16.5
209.08292	5.8
211.09663	15.6
213.07553	29.5
215.09143	9.9
227.09142	100.0
228.09329	5.7
363.25098	5.4
513.28326	10.6
545.31293	25.2
577.33917	49.4
609.36407	28.3
626.29456	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	627.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05529	0.3
65.03934	1.1
67.05489	0.5
68.99776	2.0
69.03412	0.4
69.97116	0.9
73.65681	0.3
83.04964	0.8
93.03403	0.7
101.59063	0.3
105.03358	0.3
105.67763	0.3
111.00800	0.3
111.04443	4.6
121.02840	0.5
123.04437	1.8
127.03926	1.2
135.04451	0.3
139.03894	100.0
140.04240	1.1
147.04413	0.6
151.03902	3.1
153.05424	0.5
161.05981	0.7
163.03896	6.7
164.04367	0.4
165.05499	0.3
171.04349	0.6
173.05956	0.3
175.03926	0.5
177.05447	0.9
179.03348	1.4
181.04938	0.9
187.03935	0.4
189.05440	1.1
193.04924	0.4
193.21866	0.3
197.06042	0.4
199.03893	0.8
201.05426	0.5
203.03349	1.0
205.04997	0.8
207.02907	0.5
211.03961	0.4
213.05450	0.5
217.04993	1.6
227.03351	0.8
229.04997	1.0
231.02834	0.3
233.04462	0.7
241.05005	0.9
245.04422	1.2
253.04932	0.4
255.02934	0.7
257.04431	2.0
259.06036	0.4
261.03867	0.4
265.05136	0.3
269.04526	0.8
269.21735	0.3
273.03967	0.8
279.06409	0.3
283.02347	0.5
283.05588	0.3
285.03690	0.6
287.05435	0.6
299.05557	0.3
307.05780	0.4
325.08960	6.6
335.05493	0.3
349.07294	0.5
359.05261	0.3
365.06619	0.4
367.07953	0.4
377.06390	0.6
389.06924	0.3
393.06046	0.7
395.07538	0.4
405.05997	0.9
413.08481	1.1
423.07120	1.6
433.85684	0.3
435.07007	0.6
441.07922	0.8
447.06992	0.4
453.08319	0.8
465.08099	1.3
545.10498	0.5
555.09424	0.7
573.10211	2.2
591.10986	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24625	0.5
68.99790	0.4
69.86172	0.9
69.86538	0.9
73.99229	0.5
111.04456	2.0
123.04395	0.9
127.03934	1.0
131.07603	0.5
135.04433	0.5
139.03902	56.9
140.04231	1.2
151.03912	2.0
163.03917	2.6
179.03499	0.9
180.93497	0.5
181.04993	0.5
185.04179	0.7
189.05444	0.6
199.03909	0.5
203.03365	1.0
213.05495	0.7
217.05026	1.1
229.04982	0.6
245.04439	0.7
255.03020	0.6
257.04453	1.0
285.03934	0.6
287.05548	0.6
325.08932	100.0
326.09274	1.9
385.60413	0.5
413.08624	0.8
423.07257	1.3
545.10052	0.7
573.10107	1.1
591.10876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05495	1.2
57.07087	1.1
63.90892	0.9
67.05492	1.6
69.07059	0.8
73.02880	0.7
75.64671	0.7
79.05480	1.1
81.07053	1.6
87.04458	0.9
89.06068	1.6
89.48553	0.6
91.05514	1.2
93.07042	1.3
95.08600	1.0
102.24189	0.7
121.10263	0.9
125.27669	0.7
131.07364	0.7
133.08640	1.2
136.07584	1.5
143.08577	0.8
174.09146	4.2
185.07198	0.9
187.08746	1.1
187.12271	4.0
188.10793	2.0
199.08810	0.7
199.12407	1.1
211.08650	1.0
212.09381	0.9
213.10222	0.8
215.11873	2.4
224.09515	1.0
225.10284	2.6
227.11839	2.3
235.08691	1.4
237.10231	0.7
239.11824	2.4
240.12566	0.9
241.13402	2.8
243.11295	17.5
251.11795	1.9
253.09840	0.8
267.11237	5.8
269.12857	1.9
277.09723	1.8
279.11276	1.1
284.11459	0.9
285.12350	2.8
292.40485	0.7
295.10815	2.2
301.15536	2.8
309.12381	1.9
311.13977	0.9
314.13028	1.0
315.13464	0.9
316.10883	1.2
316.14365	1.0
317.11923	0.9
319.10788	1.2
325.15436	4.7
327.09940	1.3
327.13315	5.5
328.10898	1.6
328.14499	1.2
329.11996	1.1
330.12329	2.2
330.15842	0.8
331.13260	0.9
342.12384	2.3
343.13174	2.3
344.14017	2.7
345.14789	1.4
346.15466	1.1
348.13449	2.0
351.13260	1.0
355.13483	1.0
356.13937	2.9
357.14822	1.5
358.15500	2.4
360.16840	1.1
362.15118	0.8
366.18164	1.1
370.15549	2.4
372.17081	3.2
374.15210	1.4
385.18173	1.0
386.14697	1.3
394.17975	0.9
400.16672	2.0
403.16010	1.0
404.15466	0.8
406.68121	0.8
407.15170	1.4
412.16418	1.2
418.17755	1.0
419.18365	1.5
430.17532	0.9
431.18515	1.0
432.19412	2.1
435.14005	1.3
435.18927	1.1
436.20038	0.9
437.19815	1.7
445.29889	0.9
446.30029	1.7
447.17639	1.1
447.22516	1.2
447.30124	1.9
449.15955	2.0
450.21494	0.9
451.16779	1.3
461.23590	1.9
462.24307	1.6
463.21777	1.5
464.18329	1.0
465.18796	9.6
477.19406	1.6
478.20395	1.3
479.20673	4.5
480.21790	3.8
481.22443	2.6
489.22589	1.9
490.21710	1.0
492.21335	2.6
493.22391	3.1
494.23267	1.2
504.21127	1.6
506.23312	1.1
507.24219	4.2
517.22546	0.9
520.20770	1.5
521.25592	1.1
535.23431	5.3
549.24939	8.6
552.23267	0.9
553.24237	1.5
567.25995	42.6
568.26520	3.0
577.24310	1.7
595.25446	33.4
596.25598	1.4
606.22400	0.9
609.27362	1.0
614.73474	0.9
616.98029	0.8
627.28094	100.0
628.28693	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	627.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05418	0.3
56.96452	9.4
56.96771	3.2
67.05404	0.6
71.95126	1.1
71.95558	0.5
72.90759	0.2
72.95941	0.5
79.05430	0.3
81.06954	0.7
84.95943	0.5
89.05901	0.9
91.05383	0.6
95.08516	0.5
97.96675	2.6
98.97503	0.6
104.67267	0.3
105.00085	0.5
105.06921	0.5
107.08495	0.4
110.97556	4.9
111.98257	0.4
115.97815	1.5
123.01109	0.6
126.13788	0.4
128.98602	6.2
131.08461	0.3
131.59421	0.3
133.08488	0.5
133.98782	0.3
137.02634	0.7
143.00018	0.8
146.99634	4.2
152.00027	0.5
156.16995	0.3
161.01105	1.0
165.00586	0.5
171.03148	1.2
175.02722	0.7
176.03465	0.8
185.04764	1.1
189.04187	1.1
190.05089	1.3
191.05765	0.5
191.07359	0.4
199.06265	0.3
199.26958	0.3
203.05885	0.7
204.06563	0.7
205.05383	0.4
205.07292	0.7
208.05951	0.6
213.07835	0.4
217.07382	0.4
221.08417	0.3
222.07545	0.4
227.09479	0.4
239.09451	0.4
241.10979	1.2
245.08401	0.5
245.10590	0.5
252.10298	0.6
259.12125	0.9
263.09457	2.2
264.10336	0.6
265.11057	0.7
277.11063	1.0
281.10550	0.9
289.10959	0.4
291.12604	0.4
292.56076	0.3
303.12704	1.9
313.14777	0.6
315.16269	49.8
316.16641	1.8
321.13742	0.4
331.15741	2.3
333.17340	100.0
334.17697	4.3
351.18347	17.4
352.18719	0.5
356.18970	11.4
357.19119	0.8
369.19830	0.4
374.19992	4.5
390.19653	0.4
390.67834	0.3
445.29410	0.4
446.29852	0.6
447.30212	1.3
464.31161	0.4
465.31741	0.6
485.74890	0.3
579.54602	0.3
591.37488	0.4
604.10510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57596	0.2
53.52301	0.2
55.01867	0.7
56.90096	0.2
57.03436	0.8
61.02923	0.4
62.41883	0.2
65.03943	3.7
69.03426	1.6
69.44019	0.2
69.47482	1.0
69.96949	0.2
71.05011	0.3
71.99300	0.2
73.02921	0.6
74.01590	0.2
79.05475	0.4
81.03421	0.8
81.07055	1.5
85.02906	7.6
93.03402	1.2
97.02888	1.8
100.87798	0.3
103.03941	1.3
109.02896	0.5
111.04434	0.9
115.03897	0.6
119.04909	0.3
121.02863	100.0
122.03201	1.1
127.03881	1.1
131.04893	0.6
133.02878	1.3
137.02370	0.2
137.13290	0.3
138.03122	0.3
139.03912	0.7
140.53625	0.2
145.04922	1.6
147.04388	0.5
149.02354	0.4
150.03102	1.6
151.03809	0.6
153.05460	0.5
159.04424	1.0
162.03148	0.7
163.03844	0.4
163.06013	0.6
165.05516	0.6
166.02638	0.6
171.04440	0.3
175.03891	0.7
176.04619	0.4
177.01819	4.1
177.05510	1.1
179.03412	1.0
181.04964	6.1
187.03928	1.2
190.02560	0.4
191.03357	2.6
191.04974	0.3
191.06937	0.5
192.04161	0.4
193.04932	0.7
194.02094	2.4
195.02896	2.0
197.04459	1.1
199.03871	1.4
203.03323	0.4
203.07018	0.2
204.04123	1.2
205.04970	4.8
207.02789	0.5
207.06514	0.5
209.04445	31.4
210.04758	0.7
211.02425	0.4
215.03416	1.0
216.04163	0.9
216.75482	0.2
217.04842	0.3
219.02928	1.5
219.06508	2.4
221.04413	1.5
223.05974	2.1
229.04913	0.3
231.06461	0.5
232.03659	0.7
233.04446	5.9
234.05092	0.2
235.05988	0.4
243.02887	0.9
245.04465	0.5
247.05975	3.6
249.03931	0.5
251.05505	10.4
252.05824	0.4
257.04431	1.2
260.03174	1.1
263.05508	5.4
275.05499	10.9
281.06616	1.1
293.06555	11.4
295.10117	0.3
311.07617	2.0
325.11288	0.6
399.17542	0.3
413.08621	1.6
431.09897	1.1
449.10764	12.7
450.10953	0.6
499.99011	0.3
614.03186	0.3
628.19568	0.4
629.20770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16570	0.4
55.01880	0.5
57.03424	0.4
59.48559	0.4
59.64724	0.4
61.02935	0.5
65.03944	4.1
65.12994	0.4
69.03432	1.3
69.75854	1.0
69.76212	0.8
73.02897	0.6
81.03445	1.1
85.02905	5.8
91.03948	0.4
91.05525	0.5
93.03398	1.2
97.02904	1.2
98.72368	0.4
103.03971	0.6
109.02927	0.5
111.04465	1.1
119.04942	0.7
121.02866	100.0
122.03208	1.2
127.03895	0.7
131.04918	1.2
133.02859	1.3
137.05963	3.8
138.03108	0.4
139.03961	0.9
145.04897	0.5
147.04436	0.9
149.02396	1.1
150.03127	4.9
151.03905	1.3
153.05495	0.8
159.04384	1.1
163.07573	1.3
165.05453	1.6
166.02638	1.4
173.02351	0.5
175.03920	0.8
176.04520	0.5
177.01837	7.9
177.05444	1.4
179.03439	1.3
181.04947	7.6
187.03944	1.2
190.02647	0.6
191.03407	3.3
191.07091	0.7
193.05006	1.1
194.02106	8.6
195.02853	1.2
197.04501	1.0
199.03902	1.7
203.03357	0.6
204.04173	0.7
205.04968	4.4
207.06517	0.6
209.04453	91.2
210.04782	1.7
215.03468	0.6
216.04236	0.7
219.02847	0.8
219.06509	1.5
221.04411	1.3
223.06055	2.1
231.06633	0.7
232.03745	0.5
233.04440	5.8
235.06012	0.5
243.02965	0.6
245.04538	0.5
247.06036	3.4
251.05510	12.3
257.04465	0.9
263.05496	4.7
275.05490	8.9
281.06610	0.7
293.06531	10.1
294.06894	0.8
295.13388	0.6
311.07547	2.1
327.15836	0.8
401.15790	0.6
413.08691	0.9
431.09412	1.2
449.10760	10.9
450.11029	0.5
594.38184	0.4
629.31769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62465	0.4
55.01873	1.1
55.05524	0.6
57.03413	0.3
60.12459	0.3
61.02902	1.2
62.37358	0.4
65.03934	0.4
68.52306	0.4
69.03431	2.0
71.04978	1.0
71.44915	0.5
71.67958	0.3
78.95042	0.3
79.05479	0.9
81.03409	1.3
83.04954	0.4
85.02904	7.9
90.12386	0.4
91.05465	1.3
93.03388	1.2
97.02892	2.1
99.04459	0.8
103.05480	1.9
105.03357	1.0
107.04953	0.6
109.02881	0.6
109.06493	1.1
111.08526	0.3
115.03903	0.7
119.04895	2.1
121.06502	1.4
123.04448	0.8
127.03913	1.7
131.04922	4.6
133.06485	1.2
135.04382	1.0
135.08066	0.7
137.05948	0.9
139.03905	0.7
145.04933	2.4
145.06508	0.9
147.04401	6.7
148.05118	0.4
149.05954	4.2
153.05469	5.5
155.03362	1.2
159.04414	5.8
161.05957	1.5
162.07651	0.4
163.03900	16.1
163.06041	0.8
163.07465	1.7
164.04466	0.7
165.05463	1.9
167.06973	0.5
169.04948	4.2
171.02888	0.5
173.05965	1.5
175.03888	2.2
177.05461	20.5
178.02603	0.6
178.05777	0.5
179.03377	0.5
179.07047	1.8
180.08638	0.8
181.04926	0.7
181.08578	1.5
183.06500	1.1
184.03685	2.0
186.05309	0.7
187.05934	0.7
191.07039	3.4
192.04202	1.0
193.04958	37.0
194.05458	0.9
195.06519	13.3
199.06021	7.8
205.05025	0.5
205.08635	0.6
207.06535	16.2
207.08521	0.8
209.04799	0.8
209.08080	15.6
210.05177	0.8
213.07571	1.9
219.06560	1.4
223.06004	1.3
223.09634	2.6
225.07561	28.3
233.08154	0.6
236.06740	0.4
237.07544	7.8
251.09132	4.8
255.08618	7.0
269.10184	100.0
270.10440	2.8
287.11240	31.9
288.11642	0.6
496.43774	0.3
548.26184	0.4
553.66077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.30676	0.4
57.03434	0.7
60.26422	0.5
61.02934	0.9
61.26881	0.5
62.91204	0.5
65.03941	0.6
69.03413	1.5
69.45518	2.4
71.04987	1.1
79.05506	0.9
81.03426	1.4
83.05000	0.6
85.02904	8.0
87.25909	0.5
91.05501	1.2
93.03410	1.0
93.07040	0.7
95.05022	0.5
97.02898	2.8
97.26725	0.4
98.23418	1.0
101.06023	0.6
103.05457	1.5
105.03400	1.3
105.07037	0.6
107.04940	0.8
108.97851	0.4
109.02851	1.0
109.06522	1.3
119.04922	1.9
121.06523	1.4
121.75754	0.5
123.04426	1.0
127.03908	1.6
131.04945	4.5
133.02908	0.5
133.06458	0.7
135.04422	1.5
137.05983	1.4
139.03905	0.8
145.04976	1.6
145.06514	0.9
147.04393	6.2
149.05988	3.4
151.07651	0.6
153.05458	4.6
155.03418	1.3
159.04391	6.8
161.06053	2.6
162.07695	0.5
163.03909	16.0
163.06096	0.9
163.07584	1.7
165.05484	1.5
169.04950	4.0
170.05679	0.7
173.05995	1.4
175.03911	2.2
177.05472	22.0
178.02611	0.7
179.06995	2.2
181.05000	1.0
181.08614	1.7
183.06511	1.6
184.03671	2.5
187.06018	1.1
191.07028	3.7
192.04218	0.6
193.04973	41.7
194.05441	1.3
195.06538	12.2
198.05231	0.6
199.04263	0.9
199.06020	7.6
205.04865	0.8
207.05011	0.3
207.06526	16.5
209.08096	17.7
210.05225	1.2
213.07622	1.9
217.75645	0.6
218.16542	0.5
219.06499	1.8
223.06090	0.8
223.09654	3.0
225.07582	29.5
226.07848	0.7
233.08231	0.5
237.07591	9.9
247.23412	0.5
249.15175	0.5
251.09169	5.3
255.08633	6.0
269.10202	100.0
270.10596	2.1
287.11258	37.5
483.12320	0.6
583.43158	0.5
646.45123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
69.03425	2.0
71.04996	1.1
72.03769	0.6
74.44638	0.5
77.51988	0.4
79.05476	1.2
81.03429	1.0
83.04987	0.9
85.02916	6.9
91.05472	1.4
93.03417	0.6
95.04932	0.7
97.02892	1.9
99.04454	1.1
99.24021	0.5
103.05436	1.2
105.03403	1.1
105.07032	0.7
107.04959	1.5
109.06491	1.5
109.18024	0.5
115.03950	0.6
117.03401	0.8
119.04937	1.7
121.02876	2.7
121.04050	0.5
121.06499	1.2
123.04459	0.7
126.23888	0.6
127.03886	1.7
131.04929	3.9
133.02882	0.7
133.06500	0.6
135.04407	1.2
135.08041	0.7
137.05943	1.6
139.03929	3.2
139.04822	0.5
140.04214	0.6
145.04953	1.9
145.06387	0.8
147.04416	6.1
149.06013	3.2
150.03145	0.7
151.03891	1.1
152.38329	0.5
153.05467	4.4
155.03343	0.9
159.04420	6.4
161.05943	2.0
163.03902	15.6
163.06001	0.9
163.07545	1.6
164.04395	1.3
165.05405	1.3
169.04959	4.5
173.06003	1.5
175.03923	2.6
177.05467	21.8
178.02658	1.2
178.05807	0.6
179.07048	1.9
180.08562	0.7
181.04962	1.4
181.08592	1.4
183.06552	1.2
184.03691	1.7
187.06035	1.1
191.07033	3.6
192.04213	0.8
193.04967	40.2
194.05257	0.9
195.06528	16.9
199.05995	8.8
205.04976	0.9
205.08589	0.5
207.04671	0.9
207.06538	14.6
208.06743	0.5
209.04561	0.9
209.06126	1.0
209.08093	16.8
213.07524	1.3
219.06573	1.5
223.06113	1.0
223.09610	3.9
225.07571	30.7
225.35989	0.5
226.08000	0.6
237.07547	6.7
251.09196	5.2
255.08658	6.5
269.10199	100.0
270.10562	3.1
287.11252	30.1
288.11581	1.1
456.97366	0.5
534.48303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
67.05471	1.3
69.03436	6.8
73.02927	2.1
79.05492	2.7
81.03414	6.5
81.07076	3.3
85.02903	19.3
87.00829	7.7
87.04491	1.4
91.05491	3.2
93.07039	2.9
95.04982	2.5
95.08609	2.0
97.02887	7.8
99.04490	2.2
103.05474	3.7
105.01857	6.7
105.07048	3.1
107.04925	1.7
109.02889	6.2
109.10149	1.7
111.04453	2.4
121.02858	21.6
121.06515	3.9
122.03706	3.6
124.03951	1.8
127.03920	7.7
131.04968	8.7
133.06496	15.6
135.08054	5.6
137.05974	100.0
138.06302	2.6
139.03958	2.4
143.08539	1.3
145.04991	4.1
145.06468	3.1
147.08090	1.6
149.06012	2.5
151.07533	8.4
153.01877	1.8
157.06516	2.5
159.02855	2.8
161.05954	1.9
163.07549	30.2
171.08116	2.2
175.07582	3.6
177.01866	1.5
177.09122	2.3
181.04965	1.7
187.07497	2.0
189.09129	4.8
197.04413	2.2
201.09068	1.9
203.07098	1.6
203.10681	4.1
209.04477	14.9
219.10213	3.5
221.11815	1.7
251.05473	2.4
252.15778	5.7
263.10953	1.9
275.05563	2.2
288.10449	1.8
293.06787	1.5
295.13257	10.8
300.14032	2.8
305.13824	1.5
327.12067	2.0
327.15894	34.0
342.15265	13.1
345.17056	4.6
351.15955	3.6
369.16888	3.7
380.20374	2.8
411.17917	2.1
414.20990	3.6
435.17975	2.2
449.10730	3.3
456.22101	8.3
467.18845	2.3
500.20972	3.8
584.26520	6.1
628.25708	41.9
629.24420	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	628.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00183	0.3
55.01870	0.6
55.05517	1.8
57.03435	4.4
57.07071	0.6
61.02688	0.4
61.02929	4.1
67.05505	13.7
69.03419	0.6
69.07066	4.5
69.57172	0.9
69.57557	0.7
71.04985	1.1
73.02901	1.7
79.05490	7.3
81.03392	0.8
81.07054	20.1
83.04990	1.7
83.08620	3.3
85.02901	4.5
85.06529	0.9
86.09713	0.3
91.03947	3.3
91.05473	3.4
93.07044	14.6
95.04951	1.3
95.08601	4.6
97.02897	2.3
97.06535	3.2
97.10158	0.6
99.04446	0.6
99.08086	1.3
105.07030	0.8
107.08597	7.4
107.27740	0.4
109.06512	0.8
109.10133	0.7
111.08096	2.5
117.07054	1.9
119.08568	0.5
121.10142	5.3
123.11713	0.7
125.09509	0.4
127.03918	1.4
131.08568	2.2
133.10083	2.1
135.08080	0.4
135.11659	2.5
139.11150	0.5
145.04942	1.2
147.11719	0.4
149.13254	14.7
159.11678	5.7
163.06038	2.6
177.12703	2.5
177.26965	0.3
195.13771	4.3
213.79500	0.3
269.17465	100.0
270.17758	3.0
282.21109	0.4
309.17508	0.4
369.52393	0.4
405.34415	0.4
431.22870	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	628.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01867	0.4
55.05500	2.2
57.03436	3.4
57.07077	0.7
61.02924	5.1
67.05504	15.2
69.03411	1.0
69.07059	5.0
69.36457	0.3
69.97609	0.5
69.97960	0.7
71.04978	1.0
73.02916	1.7
79.05492	7.5
81.03392	0.8
81.07054	23.1
83.04989	2.1
83.08620	3.6
85.02899	6.1
85.06535	1.5
91.03959	5.1
91.05471	4.1
93.07043	14.4
95.04964	1.5
95.08604	5.7
97.02886	2.8
97.06541	3.8
97.10148	0.4
99.04478	0.6
99.08078	1.2
105.04514	0.6
105.07030	1.4
107.08592	8.0
109.02846	0.5
109.06516	0.9
109.10150	0.9
111.08099	3.0
113.09644	0.6
115.03880	0.5
115.23376	0.3
117.07010	2.2
119.08514	0.5
121.10138	5.4
123.02674	0.3
123.11699	0.5
127.03927	1.5
127.07596	0.4
131.08583	2.0
133.10143	2.3
135.08052	0.9
135.11670	3.5
139.11142	0.6
145.04970	2.7
145.08757	0.4
149.09473	0.4
149.13252	16.4
159.11694	6.7
162.76807	0.4
163.06017	3.0
163.55043	0.3
167.14314	0.4
177.12743	3.4
195.13786	5.1
213.14847	0.7
214.59995	0.3
232.37166	0.3
252.37741	0.3
269.17462	100.0
270.17789	2.1
287.18500	2.7
315.69449	0.4
353.69116	0.3
386.96445	0.4
413.89005	0.4
415.50549	0.4
431.22708	1.0
530.84186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.8
57.07073	3.1
67.05481	6.0
69.07068	4.9
69.18096	10.9
69.18503	5.4
71.08615	2.8
79.05500	6.5
81.07047	9.9
89.05984	3.4
91.05476	9.5
93.07038	8.4
95.04948	9.1
95.08602	6.2
98.23724	2.9
105.07016	7.1
107.04935	3.5
107.08558	3.4
109.02903	4.5
109.06517	4.4
111.04464	3.3
119.08565	5.3
121.06500	6.4
123.04430	13.0
125.06001	10.6
133.06511	3.6
135.08037	2.8
136.05170	3.7
137.05956	10.0
138.06781	3.2
139.03925	4.0
139.07538	9.4
141.05513	4.3
145.10207	3.2
151.07523	22.4
152.04651	2.9
153.05475	16.7
153.09027	5.0
155.07019	7.8
165.05435	4.4
165.09052	3.8
166.06245	16.8
167.03429	5.7
167.07060	20.2
168.07831	30.9
169.04967	45.3
169.08615	7.7
177.09071	5.4
181.05035	12.6
181.08595	100.0
182.05774	15.2
183.06526	20.3
184.07306	88.0
191.10585	3.4
193.08635	4.5
196.07269	25.6
197.08093	20.1
198.08894	15.5
199.09662	53.0
207.10100	5.3
211.09668	32.8
221.11789	4.4
235.13231	3.4
239.12671	5.0
246.64053	3.2
252.88950	3.0
272.50436	2.6
319.22607	3.5
340.29474	2.6
383.25903	3.1
411.25058	14.9
419.31802	3.1
427.28354	15.1
428.29205	3.2
439.24683	12.5
443.27878	21.3
471.27548	21.1
475.30377	7.1
503.30115	33.4
504.30429	9.5
520.29944	9.7
535.32813	26.8
536.33160	4.5
566.31421	3.1
593.33038	4.8
629.32343	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	629.2243
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.83591	0.9
67.05501	2.5
67.83472	1.0
69.02234	0.9
79.05502	1.5
81.07045	2.1
91.05521	1.1
93.07007	1.3
105.07028	1.8
107.08599	1.2
109.10175	2.0
117.18788	1.0
139.95525	1.0
167.10840	1.0
184.10793	0.9
243.07466	1.0
286.38797	1.1
324.49316	1.2
326.15610	1.0
398.13617	1.1
399.14304	1.3
409.11948	1.2
410.13641	2.2
411.14664	4.1
412.15204	3.9
413.15875	1.8
425.16443	10.2
426.16962	8.3
427.17783	1.8
428.18164	3.2
438.12988	3.2
439.13550	13.1
440.13297	1.5
440.19318	6.3
441.19275	34.5
442.19461	4.5
452.14703	3.3
453.15390	17.3
454.15665	5.5
456.17819	1.2
457.15051	1.5
467.17120	20.7
468.17838	15.9
469.18854	12.0
481.14471	9.7
482.15198	2.0
484.21063	2.8
485.17831	2.1
495.16098	1.2
496.17255	9.1
497.17889	2.1
499.19586	1.6
500.20313	3.1
512.20032	3.7
513.21008	4.3
523.19489	2.1
525.21643	1.1
541.13049	1.7
541.20935	30.1
542.20776	2.7
569.20276	100.0
570.20398	11.3
573.23553	1.7
597.19720	28.8
598.19678	2.9
600.20972	1.1
601.22754	9.2
629.22089	67.9
630.22467	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05505	1.6
65.03925	2.8
67.05529	2.1
68.99793	4.2
70.30799	2.5
79.91257	1.3
89.06039	1.4
95.08593	1.5
96.28414	1.4
97.02883	3.2
98.83156	1.6
102.76631	1.2
103.45023	1.2
111.00774	2.0
111.04446	3.6
123.04430	13.2
125.02390	1.7
127.03899	3.5
135.04459	1.8
137.02339	2.5
139.03899	100.0
140.04266	2.1
145.06433	1.7
147.04436	1.7
150.03168	1.6
151.03911	20.2
153.01845	1.7
153.05501	2.8
155.03413	3.0
157.06548	2.0
161.05998	1.5
163.03908	21.7
165.05487	1.8
169.05014	1.6
173.06035	1.7
175.03960	3.0
177.05496	2.4
179.03410	4.6
181.04907	10.4
187.03996	1.5
189.05490	3.3
199.04063	2.1
201.05504	5.0
203.03453	3.2
203.07024	5.1
205.05006	7.6
209.04453	2.3
213.05496	4.4
215.03250	1.9
217.04939	4.1
219.02855	3.6
229.05022	7.9
231.06445	4.4
233.04558	2.3
241.05003	3.8
243.06549	2.4
247.06053	3.8
257.04395	12.0
259.05981	13.4
261.07651	7.1
269.04410	2.5
275.05487	5.6
285.03989	2.6
287.05634	6.6
289.07028	2.7
303.05020	3.7
307.08170	1.7
323.18420	7.1
373.20148	4.0
401.19247	7.3
405.22531	7.6
507.23749	3.6
535.23102	2.2
553.24139	5.4
563.22723	4.3
581.23535	6.3
595.25433	2.2
599.24847	8.5
599.48090	1.7
631.27405	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.05505	2.2
57.07061	2.3
65.03926	1.7
67.05487	3.1
68.99787	4.5
69.03416	1.5
69.07053	1.0
71.08606	0.9
79.05484	1.5
81.03390	1.4
81.07047	1.8
83.04986	1.1
83.08603	1.0
91.05460	1.4
93.03432	0.7
95.04978	1.9
95.08603	1.9
97.02889	2.0
99.54366	0.7
107.04914	1.9
109.02891	0.7
109.51788	0.8
111.00814	2.3
111.04436	3.0
115.05454	0.7
121.02861	1.6
121.06522	0.8
123.04422	15.4
127.03886	2.4
129.07024	1.1
131.04893	1.0
133.06563	0.9
135.04428	2.7
137.02351	2.2
139.03900	100.0
140.04291	0.9
145.06476	1.5
147.04387	2.4
149.02330	1.9
150.03085	1.0
151.02690	0.9
151.03900	19.3
152.04181	1.2
153.01791	1.8
153.05479	2.0
155.03357	2.7
157.06491	2.0
159.04448	1.3
161.06003	2.1
163.03900	24.1
165.01770	1.7
165.05550	1.7
167.03456	0.8
169.05017	1.2
171.04405	0.9
173.02328	1.1
173.06032	1.6
175.03947	2.7
177.05484	3.2
179.03404	3.5
181.04924	9.1
183.02919	1.2
185.05927	1.4
187.03906	3.0
189.05479	2.5
191.03481	2.1
193.04936	1.2
197.06003	1.2
199.03973	1.5
201.05470	6.1
203.03386	2.8
203.06989	4.2
205.04945	5.9
209.04433	1.6
213.05435	3.7
215.03455	2.3
217.04921	3.6
219.02927	3.1
219.06525	3.3
225.05467	0.8
229.04956	8.0
231.06467	3.3
233.04578	1.7
241.04988	6.6
243.06482	1.4
243.32457	0.7
245.04503	1.0
247.05998	4.8
249.88574	0.8
255.06712	0.9
257.04459	9.0
259.06027	11.3
261.04974	1.0
261.07590	7.2
264.79910	0.8
269.04514	1.7
271.06110	1.1
275.05402	4.2
285.03903	3.0
287.05502	4.7
303.04984	3.5
317.06256	0.9
323.18494	8.2
345.20541	1.1
373.19983	5.3
401.19644	5.9
405.22873	4.3
411.21072	0.8
427.20670	0.9
433.22226	1.7
443.20349	1.2
487.23251	1.3
507.23770	2.9
517.22162	1.3
535.23260	2.8
537.24261	0.9
545.21783	1.2
553.24243	3.7
563.22968	4.5
571.85596	1.2
581.24017	5.0
595.25342	1.9
599.24841	7.8
631.27338	28.2
632.27740	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	631.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
56.24482	0.9
67.05490	1.9
68.05042	1.2
69.07066	4.0
75.54066	0.9
79.05474	1.1
81.07048	1.1
91.05483	1.2
94.06577	4.3
95.04964	1.5
95.08595	1.7
98.23490	2.4
113.50422	1.0
116.10713	3.0
122.06030	14.9
123.04491	1.2
139.03888	10.6
140.07056	25.2
140.38728	1.1
144.04469	2.0
146.06003	11.0
148.07594	2.0
154.05014	1.7
154.15923	1.2
162.05511	1.3
163.03827	1.5
172.03944	11.1
173.04732	1.9
174.05518	11.7
176.07097	4.3
190.04999	2.6
191.05757	2.0
197.10707	1.0
199.12338	1.4
204.06531	24.7
206.08125	8.1
208.92355	1.0
209.10751	1.2
211.08646	1.5
212.09311	1.6
213.10258	1.2
214.18010	16.8
215.18341	7.4
225.10255	4.8
227.11777	9.6
237.10214	2.7
239.11761	1.9
239.71227	1.2
241.13469	1.1
251.11737	1.4
253.09615	1.6
261.12393	1.7
265.09879	1.8
269.12897	8.3
271.10843	3.9
275.83682	1.2
283.10785	9.7
284.11496	5.3
285.12375	3.6
287.13901	26.3
287.16956	2.0
289.07031	1.6
297.12442	2.9
300.12079	1.1
301.12146	2.4
302.13068	1.3
308.07492	1.0
313.11807	29.8
314.12225	2.2
315.13495	1.6
316.14441	4.0
326.16745	1.4
328.14584	2.5
329.11673	1.7
329.15408	2.6
330.12540	2.4
330.16031	5.4
331.12839	7.8
331.16785	6.0
332.17355	1.6
342.12607	3.6
343.13202	3.8
343.22818	1.4
344.13870	2.2
344.17490	4.9
345.14447	17.6
346.19580	1.4
356.14014	2.8
357.14731	2.5
358.15424	7.4
370.11511	1.8
370.15652	2.8
372.17188	3.0
380.13733	1.8
382.11603	1.3
383.12595	1.6
384.13385	9.7
385.13974	4.1
386.14563	4.8
386.19122	2.4
388.16309	1.8
390.18039	4.6
391.18570	1.3
398.14975	12.1
399.15781	21.4
400.16556	28.3
401.17435	2.7
402.14566	2.2
412.16415	1.8
414.18286	6.3
415.18997	1.5
416.16025	2.5
417.17026	5.4
418.17429	6.7
430.17746	1.9
431.18405	1.9
440.15942	3.1
444.15100	1.9
448.18585	2.2
458.17096	22.7
459.17896	12.5
459.97974	1.0
460.18326	3.8
490.19641	3.7
491.20163	2.3
557.23724	3.7
581.23816	5.2
599.24994	100.0
600.25250	8.6
631.31769	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	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77955	1.2
55.05491	1.3
60.36403	1.0
67.05495	1.6
69.07043	1.2
71.46304	1.2
80.38941	1.0
81.07066	2.0
109.06468	1.3
121.10156	1.5
136.07523	1.7
139.03905	1.6
140.07033	1.9
145.09918	1.1
164.06984	1.6
193.18829	1.1
222.11613	1.3
223.12360	1.7
223.38130	1.2
236.13194	1.2
237.10272	2.0
247.08676	1.4
248.09436	5.6
249.10202	21.4
250.10931	3.8
251.11732	7.2
255.11501	1.5
261.10181	3.1
262.10959	4.0
263.11777	99.9
264.09723	1.5
264.12366	9.2
265.09845	1.9
265.13315	10.2
277.09641	18.4
278.10495	1.7
279.11252	36.1
280.11938	4.4
281.12759	2.4
289.09778	1.6
290.10522	8.3
291.11255	41.3
292.11844	10.8
293.12784	1.7
295.10760	18.0
296.11371	2.3
303.07669	4.4
307.10730	3.8
308.11496	3.0
309.12308	54.7
310.12918	8.3
311.13959	6.5
318.09937	5.8
319.10742	2.8
323.13876	70.2
324.14340	5.8
336.11035	51.7
337.11795	31.3
338.12527	9.5
339.13348	1.7
355.12833	1.5
356.13821	1.5
367.09262	0.8
367.12839	32.2
368.13651	52.0
369.14420	100.0
370.15128	30.3
371.15717	3.4
458.16806	2.5
476.17816	1.9
478.19806	33.9
479.20169	3.9
490.19577	5.2
491.20087	1.5
508.20782	95.6
509.21094	7.5
510.22336	73.3
511.22311	4.1
547.75513	1.4
599.24835	4.5
631.26935	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	631.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	1.8
69.07062	3.7
70.53388	0.9
70.53714	1.3
79.05450	1.1
83.08596	0.8
93.05779	1.1
94.06576	6.6
95.04961	1.1
108.08119	2.3
112.07558	1.4
116.04987	1.9
118.06579	1.3
122.06024	21.0
134.06006	1.8
136.07542	1.1
138.05508	1.1
139.03929	1.0
140.07065	32.8
144.04482	2.1
145.05173	1.6
146.06009	14.5
148.07558	2.1
152.07039	1.5
162.05502	1.7
165.09019	0.8
172.02480	1.0
172.03934	16.5
173.04672	2.2
174.05507	14.9
176.07047	5.1
186.09186	1.0
190.05020	3.3
191.05751	2.0
192.06639	1.6
197.10706	1.2
199.12216	1.6
204.06552	31.5
206.08139	12.6
209.10733	1.1
211.08643	2.1
212.09433	1.5
213.10255	0.9
220.10318	0.9
224.09351	1.6
224.76750	0.9
225.10152	4.9
226.10860	1.3
227.11775	13.1
237.10188	2.3
238.10938	1.5
239.11795	4.9
241.09682	1.6
242.11681	1.4
249.10172	1.5
250.10876	1.3
251.11794	3.3
253.09689	2.5
255.11148	1.3
261.12369	1.7
263.08124	1.3
263.11755	2.1
264.08951	1.4
265.09628	2.0
267.11221	1.3
269.12872	12.9
271.10712	3.8
277.09756	1.6
279.11249	2.4
283.10718	8.8
284.11499	5.1
285.12311	7.0
286.13364	1.2
287.13898	30.8
288.14334	1.9
291.11081	1.2
292.12128	0.9
295.10742	1.1
296.11731	1.3
297.12610	2.2
298.13272	1.0
300.12292	2.3
301.12119	3.5
301.15607	1.0
302.12994	1.2
302.16544	1.0
309.12445	0.9
312.15189	1.6
313.11804	43.3
314.12631	2.6
315.13779	2.0
316.14505	4.5
323.13773	1.3
326.16583	1.1
327.13660	1.0
328.10815	1.4
328.14407	2.4
329.11472	3.5
329.15335	2.9
330.12292	2.2
330.15936	5.9
331.12811	9.8
331.16760	6.9
332.17346	1.0
337.11966	1.1
341.12466	1.2
342.12332	4.9
343.13254	2.7
344.13855	1.3
344.17505	4.1
345.14453	15.9
354.16208	1.5
355.13882	1.8
356.13821	4.4
357.14795	3.7
358.15378	8.2
363.15497	1.1
365.11267	1.3
367.13367	1.3
368.13831	1.2
369.11057	1.1
370.11447	1.5
370.15295	2.8
372.17224	3.9
382.11569	4.2
383.13098	2.6
384.13321	11.6
385.14142	4.5
386.14853	3.1
386.18661	2.9
390.18188	4.6
398.14908	14.6
399.15756	18.5
400.16537	26.1
401.16959	1.7
402.14355	1.8
414.18222	5.0
415.18945	1.4
416.15775	2.7
417.16824	5.8
418.17554	8.7
430.17365	3.0
431.18292	1.5
440.16052	2.9
441.16330	1.8
444.15350	1.3
458.17123	36.6
459.17844	21.9
460.18649	6.0
490.19781	7.1
491.20172	3.6
508.20874	1.1
555.25482	1.9
557.24231	3.9
581.23956	8.3
587.33527	2.0
599.25000	100.0
600.24927	8.6
614.25500	0.9
615.63025	0.9
631.25708	2.5
631.32861	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	631.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45201	14.4
69.46389	34.6
69.46779	27.1
69.49461	12.3
85.26893	15.2
86.32402	13.1
91.36559	13.7
112.17715	15.0
242.67732	17.1
248.64932	15.3
265.64560	18.0
419.61630	17.1
605.96472	16.4
631.32141	100.0
636.45282	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	631.3454
Annotation	His Arg Tyr Arg
Peak:m/z	Relative Intensity
102.90378	0.9
126.10075	1.0
127.29214	1.0
162.87820	1.0
222.13530	1.0
571.25098	2.2
586.27924	1.9
601.30054	6.8
616.32281	2.6
631.34509	100.0
631.49017	7.1
632.34949	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	631.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91949	0.3
55.05502	0.6
56.96289	0.8
56.96564	12.8
67.05502	0.9
69.53135	0.3
71.43742	0.4
71.95246	0.8
80.71439	0.4
81.07038	0.9
84.95998	0.5
86.67760	0.4
91.05471	0.8
93.07043	0.9
95.08598	0.5
97.96807	1.9
98.97581	0.7
102.16405	0.4
105.07062	0.5
107.08591	1.0
110.97573	4.1
115.97846	1.5
119.08560	0.6
123.01180	0.4
128.98598	4.3
131.08618	0.4
133.98866	0.5
135.08073	0.5
137.02750	0.8
143.00101	0.8
146.99666	3.2
161.01237	0.9
171.03325	1.2
185.04828	0.8
189.04320	1.2
190.05145	0.8
199.06551	0.4
203.05981	0.7
204.06676	0.7
208.06146	0.3
221.04918	0.4
222.38058	0.4
259.09891	0.4
263.09515	1.7
265.10953	0.4
269.11160	0.4
277.11148	2.2
278.11798	0.7
278.29895	0.4
291.12698	0.7
295.12112	0.4
315.15881	0.5
317.17838	38.0
318.18289	1.5
333.17484	2.1
335.18912	100.0
336.19217	3.5
353.19989	20.1
354.20337	0.9
358.20502	17.1
359.20801	1.6
371.21109	0.9
376.21588	3.5
377.21942	0.4
399.23306	0.8
539.44598	0.4
595.40253	6.4
613.42004	0.6
631.32715	1.2
631.69708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22152	0.3
57.03421	0.6
65.01099	0.3
65.03969	0.3
67.05489	0.4
68.92362	0.3
69.70773	0.7
69.95258	0.3
72.77911	0.3
73.02904	0.4
78.04718	0.4
85.02888	1.0
89.03911	1.0
89.56767	0.3
91.05473	1.2
95.01324	1.2
95.04987	0.6
103.03927	0.4
103.05515	0.3
105.04454	0.3
105.07030	0.5
107.04935	0.4
113.02355	0.6
117.03397	1.6
119.04939	1.1
121.06474	0.5
125.06001	0.4
131.04924	0.3
133.02841	0.4
133.06470	0.3
134.03604	0.6
135.04417	1.5
137.05989	2.6
137.27287	0.3
141.01839	1.9
141.05429	0.4
147.04393	1.9
149.05981	9.5
149.24017	0.3
150.06761	0.3
151.03911	34.1
151.04985	2.2
152.04214	0.8
153.06964	0.5
155.08528	0.4
161.05989	1.1
162.06781	0.9
163.03889	0.4
163.07588	0.3
165.06960	0.6
168.05693	0.9
177.05423	0.6
179.07050	0.8
180.05673	0.7
181.05003	0.4
181.06514	0.9
183.08055	3.3
185.06029	0.4
191.07039	0.6
195.07970	0.4
196.05219	2.2
197.05989	0.9
199.07687	0.3
200.08252	0.6
207.06531	0.4
208.05164	0.8
209.05740	0.3
210.06819	0.6
211.07538	7.6
212.08330	1.0
213.05453	1.7
213.08952	0.5
215.07103	0.5
224.04663	0.7
225.05495	0.7
225.07573	0.8
226.06229	0.3
227.07036	1.0
228.07788	3.3
236.04764	0.4
239.06926	1.9
240.07799	1.9
241.05016	0.5
242.09311	0.8
243.08411	0.9
243.10233	1.1
251.07234	0.3
253.04918	0.3
256.07330	2.8
267.06516	0.6
268.07401	0.9
271.06775	0.5
271.09583	3.0
279.06473	0.4
283.09723	1.2
299.09134	100.0
300.09470	3.2
303.08774	0.4
307.07846	0.3
311.09103	4.9
315.08630	1.2
317.10095	0.8
329.10175	10.2
347.11414	0.5
391.13885	8.7
391.19034	0.4
421.15048	0.3
457.11234	0.6
458.12213	0.3
473.38345	0.3
475.12357	3.2
606.33264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01879	1.5
55.05518	5.6
57.03436	9.6
57.07048	0.9
59.05002	0.8
65.03926	1.0
67.05505	30.0
69.03432	0.8
69.07080	7.9
71.01335	2.5
71.04984	1.6
71.45165	1.0
74.84705	0.9
79.05044	1.7
79.05492	23.9
81.03407	3.5
81.07059	13.7
83.04983	4.5
83.08620	2.6
85.02902	2.1
85.06546	2.0
88.12370	1.0
91.05479	8.9
93.07045	28.8
95.04967	4.5
95.08617	4.4
97.06532	7.9
97.10177	5.6
99.04455	0.8
99.08116	1.4
105.07043	2.8
107.05009	1.1
107.08601	16.7
109.06541	1.0
109.10160	7.6
111.08064	0.9
117.07001	2.8
119.08614	4.4
120.13272	0.9
121.10149	5.1
125.09634	2.0
133.10152	1.9
135.11690	34.8
137.09630	1.6
145.10120	6.5
147.11664	2.3
163.11139	4.6
168.97931	0.8
173.11771	0.9
181.12215	7.3
190.23114	0.8
207.13739	1.0
229.14297	4.1
255.15907	48.2
256.16190	1.0
281.17520	3.0
288.24377	0.8
376.79599	0.8
435.27429	100.0
436.27512	4.3
527.42584	0.9
642.88989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	3.2
77.03864	1.6
78.84544	1.4
79.05511	3.8
81.07095	2.7
82.01299	1.5
91.05474	2.5
93.07060	2.3
95.08620	2.7
105.07050	2.2
109.93871	1.6
121.10085	2.3
123.04429	7.9
132.52255	1.8
137.05994	4.8
139.07564	4.7
151.07603	2.6
153.05492	4.1
153.09079	1.8
166.06203	2.6
167.07056	14.9
179.27606	1.6
181.04965	47.2
181.08531	1.5
182.05724	3.4
183.02953	2.6
183.06561	7.1
196.07312	100.0
197.07924	4.6
198.05299	3.5
199.09624	1.8
209.08055	1.9
211.09662	44.0
213.07549	22.9
217.76152	1.8
223.09648	4.1
228.92361	1.8
237.11250	2.9
300.14322	2.0
606.65741	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14976	5.3
70.29633	6.6
70.29976	9.0
81.07056	6.5
90.79353	5.1
91.05419	5.6
123.04440	15.5
181.04956	73.7
183.06541	5.2
196.07300	100.0
211.09659	82.4
455.08765	6.5
464.95374	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	632.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24206	2.5
57.07079	66.0
59.03652	1.9
62.42464	1.7
64.86312	1.8
66.95486	2.0
78.99779	1.7
87.04454	10.6
89.06031	100.0
91.05468	12.8
93.07046	9.1
95.04981	4.7
97.10127	1.9
103.05500	2.4
105.07033	4.3
107.04946	6.0
107.07084	2.1
107.08582	3.8
113.96711	1.9
119.04939	7.6
119.08600	6.8
121.06507	37.0
121.10186	3.1
130.08556	2.5
131.07051	4.8
133.08598	65.3
133.10126	3.1
135.08049	10.0
147.08044	18.9
149.09618	5.7
159.11711	2.9
163.11185	3.8
165.09134	10.8
167.10619	2.7
175.09734	2.8
175.11125	2.1
177.11230	36.9
177.12758	13.9
191.14166	2.4
193.12224	1.9
203.14357	6.4
203.78712	2.1
205.15800	4.4
209.11768	6.1
219.17500	2.6
221.13762	4.7
221.15498	25.2
233.18903	2.7
235.13283	2.6
239.15054	2.3
253.14497	2.7
255.15950	2.9
265.18127	12.9
277.21649	3.2
279.15964	1.9
333.27838	13.7
350.48260	2.0
415.26886	4.2
447.25775	8.1
459.29434	3.5
482.68030	2.1
503.32132	74.7
504.32297	3.0
559.38312	7.3
615.44617	21.0
632.47278	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	632.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02571	3.0
57.06822	4.6
57.07080	78.8
59.04996	2.9
69.07035	3.0
70.94463	4.3
76.96268	2.7
87.04463	10.3
89.06037	100.0
91.05470	26.0
93.07046	11.7
95.04990	5.4
105.07009	5.2
119.04974	4.1
119.08575	6.2
121.06499	53.1
131.07014	5.3
133.08612	71.2
133.09639	4.3
133.10091	5.7
147.08063	17.4
149.09663	3.9
162.63063	3.0
165.09084	17.3
175.09657	4.7
177.11259	34.5
177.12668	5.3
209.11720	9.0
221.13660	6.9
221.15430	10.7
222.47470	3.0
233.18999	10.6
239.92731	3.0
253.14246	3.8
255.15933	4.5
259.20444	6.2
277.21603	14.5
279.16010	2.9
321.24234	5.7
333.27777	8.9
359.20667	4.7
447.25922	49.4
471.32999	4.6
503.32162	50.9
559.38470	72.2
615.44476	24.3
632.47559	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	633.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41035	0.4
56.09419	0.4
57.92429	0.4
59.70592	0.3
67.05492	0.8
69.03391	0.5
69.07043	1.3
70.14084	0.8
70.18481	0.4
77.85893	0.3
79.01826	1.3
81.03392	0.8
91.05464	0.6
94.06081	0.4
94.06567	4.3
95.04948	0.9
97.06541	0.6
108.04474	0.5
109.10136	0.4
109.35822	0.4
110.06023	0.7
112.07564	0.8
120.08084	1.3
122.06026	10.2
123.04401	0.7
124.07502	0.4
125.02358	0.6
131.07227	0.4
136.07584	2.0
137.01292	0.6
137.02347	9.3
137.03438	1.1
139.03906	0.4
140.07063	12.5
141.07872	0.7
143.03372	1.4
143.08554	0.5
144.08086	0.6
146.05063	0.5
146.06024	5.6
147.06760	2.4
148.07565	14.9
150.05432	1.0
153.01823	19.2
153.02905	1.0
155.07329	0.4
155.08556	0.6
157.08836	0.6
158.09698	0.4
159.06839	0.5
160.07538	0.9
161.06987	0.5
162.05475	0.5
167.07292	0.5
170.09607	2.7
172.03931	1.0
172.07584	1.1
172.09856	0.6
172.11182	1.0
174.05475	1.9
174.09100	0.7
175.08601	0.9
180.08026	0.5
183.06686	0.5
184.07520	0.5
184.11223	0.8
186.09157	0.7
187.08591	0.7
187.12309	3.2
188.06982	0.5
190.04993	4.7
191.03400	1.4
191.05635	0.5
192.06569	1.0
197.08313	0.6
198.09152	17.0
199.08672	1.2
199.12250	0.5
200.09143	1.8
200.10768	1.2
201.13870	0.4
205.04900	0.6
210.09142	1.3
212.10857	3.8
213.10194	1.2
215.11792	14.7
216.10258	0.5
225.08057	0.4
225.10248	0.9
226.08661	4.5
227.08266	0.7
227.11766	4.7
228.08762	0.8
229.09708	0.4
229.13358	0.6
231.11275	0.9
237.10156	0.7
239.11732	0.5
240.08632	1.2
240.10353	1.5
241.09698	2.7
241.13402	1.4
242.10446	4.0
243.11278	80.3
244.11609	2.7
251.05511	3.7
255.11281	21.1
256.11990	1.4
257.12830	4.7
263.05634	0.5
267.11301	0.5
275.05569	0.8
283.10715	2.5
284.11539	1.2
285.12326	77.4
286.12668	2.2
287.13910	8.7
291.99826	0.5
297.11887	0.5
298.84833	0.4
301.11804	15.5
302.12363	1.2
303.13382	100.0
304.13669	2.8
313.11789	2.6
331.12967	0.9
334.72043	0.4
387.16974	0.8
413.17053	1.3
429.14566	0.9
430.17764	1.9
431.18402	1.7
448.18701	4.4
456.15671	0.5
474.16721	3.0
475.17065	0.5
509.93234	0.4
571.25525	6.9
572.24957	0.4
589.26038	1.9
609.77100	0.4
615.24506	2.2
633.20624	0.4
633.34222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05484	0.7
67.05490	1.6
69.03421	0.7
69.07052	1.8
69.09274	0.5
71.04987	0.5
77.98543	0.4
79.05476	1.6
80.76710	0.5
81.03404	0.7
81.07020	1.5
85.02881	0.7
87.00808	1.4
91.05432	1.2
93.05733	0.6
93.07017	1.6
94.06562	4.5
95.04955	1.0
95.08605	0.8
97.02879	3.3
105.07008	1.4
107.08570	1.4
110.06026	1.1
112.07527	1.1
119.08557	1.1
120.04497	0.6
120.08087	1.4
121.10107	0.6
122.06026	14.9
123.04386	0.8
124.07574	1.4
131.07317	0.6
131.08540	1.0
132.08040	0.6
134.05936	0.6
136.07617	3.2
137.02351	0.6
140.06033	0.9
140.07063	13.9
143.08585	0.9
145.10101	1.9
146.06007	5.7
147.06810	3.0
148.07571	17.2
150.05478	0.8
151.03879	2.1
152.85890	0.5
153.01828	0.8
157.10057	0.6
159.11679	0.8
160.07614	1.3
162.05478	0.8
170.09665	3.6
172.03915	1.8
172.07581	1.0
172.09904	0.9
172.11253	1.2
173.04665	0.6
174.05458	1.8
174.09105	0.6
175.08632	1.3
184.11177	1.3
186.09119	1.2
187.08571	0.8
187.12308	4.4
188.07077	0.6
189.10147	0.8
190.04970	5.7
191.05727	0.9
192.06520	1.1
198.09140	23.7
200.09396	2.3
200.10895	1.3
201.03893	1.7
201.10164	0.6
201.13773	0.5
201.16370	1.8
203.05226	1.5
210.09119	1.1
212.10808	4.4
213.10251	1.5
215.11787	20.0
216.12134	0.8
218.08217	0.6
225.10199	1.2
226.08698	7.1
227.08131	1.6
227.11778	4.2
228.08882	0.6
229.09714	1.2
229.13341	1.3
231.11055	0.8
237.10248	1.0
238.10970	0.7
240.10194	1.9
241.09731	3.3
241.13329	1.3
242.10518	4.5
243.11279	98.3
244.11632	3.0
251.12079	0.5
255.11285	18.9
256.11978	2.0
257.12839	7.4
259.08139	0.7
259.10660	4.8
267.11255	0.6
283.10693	2.3
284.11496	1.6
285.12329	91.4
286.12708	3.6
287.13901	10.3
301.11829	20.7
301.15262	1.1
302.12534	2.2
303.13382	100.0
304.13785	3.4
309.16592	1.9
313.12012	2.0
319.12787	2.5
331.12869	1.4
347.09387	0.9
355.13181	0.5
365.10657	2.5
367.14594	0.8
387.17068	0.7
412.16217	0.6
413.17639	3.0
429.14395	1.2
430.17584	1.6
431.18210	2.3
446.17062	2.3
447.17999	0.7
448.18549	4.3
471.22000	24.3
472.22336	0.9
474.16797	3.8
553.24390	0.8
571.16565	0.6
571.25476	10.8
572.25983	0.8
589.26398	1.8
589.35077	0.9
615.24475	2.1
633.27075	95.9
634.27710	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	633.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.1
69.03415	0.9
69.07019	0.6
69.18536	0.6
69.92341	0.6
77.23018	0.6
79.93866	0.6
84.59862	0.6
85.02900	3.6
91.05482	0.9
93.06996	1.2
94.06555	3.6
95.04926	1.0
95.08552	0.7
97.02899	0.7
107.08533	0.6
108.04444	1.1
108.08102	0.9
110.05959	0.9
120.04456	1.2
121.10103	1.0
122.06032	9.1
124.07573	0.8
132.31412	0.6
136.07539	2.6
137.05946	1.1
139.03856	1.9
140.07066	6.9
145.04927	1.3
146.06018	8.5
147.06786	3.9
148.07564	7.1
149.05959	0.8
150.05498	1.4
160.07597	0.8
161.07098	1.3
162.05446	1.1
163.68076	0.7
164.07057	0.7
170.09653	3.2
172.03857	1.3
172.07565	1.3
172.11151	1.0
174.05458	1.2
175.08716	1.1
184.11244	0.7
187.12341	3.8
188.10632	0.9
190.05032	3.8
198.07469	1.4
198.09158	20.9
198.11008	1.1
200.09341	1.6
200.10947	1.1
201.10220	1.1
212.10818	4.7
215.11786	19.5
225.10205	1.2
226.08694	5.8
227.08130	0.8
227.11816	3.5
229.09766	1.3
229.13290	1.2
231.11324	0.9
239.11719	1.1
240.10173	2.4
241.09731	2.3
241.13399	1.5
242.10565	2.1
243.11281	96.6
244.11589	2.5
253.09837	2.2
255.11296	12.3
257.12833	5.7
261.12216	0.7
267.11221	2.2
273.22174	0.8
283.10773	2.4
285.12326	89.1
286.12839	3.7
287.13885	5.2
293.09363	0.8
301.11838	9.3
303.13376	100.0
304.13754	3.6
313.11719	3.3
331.13181	0.7
355.13095	0.9
357.12311	1.0
383.14886	1.3
401.13446	0.8
412.85471	0.8
416.15445	0.9
430.17725	2.1
448.18686	7.2
474.16565	3.8
571.25641	3.6
580.48126	0.7
589.26624	3.5
615.24719	3.3
633.27069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00076	0.3
53.00306	1.3
55.01861	0.4
65.03931	1.3
67.05487	0.8
68.99794	0.7
69.12833	0.6
69.13228	1.1
85.02901	0.3
87.04460	0.3
88.04370	0.3
89.00094	0.3
89.06032	0.9
93.03413	0.7
93.07011	0.3
95.04955	0.6
111.00787	0.7
111.04467	1.8
121.02857	1.3
123.04431	2.8
127.03883	0.3
133.08592	0.4
135.08072	0.3
137.02373	0.4
137.05969	2.9
139.03903	100.0
140.04207	2.1
140.07085	0.3
145.50679	0.4
146.03581	0.4
150.64351	0.3
151.03908	6.8
161.05989	1.4
163.03906	4.0
163.07539	0.6
165.06967	0.5
177.97157	0.3
179.07030	0.4
181.04924	0.4
185.04182	0.5
188.04745	0.5
193.06650	0.3
203.07068	1.2
205.04994	1.4
205.08627	2.2
205.35559	0.3
221.05959	0.6
221.64729	0.3
225.09062	0.8
243.11436	0.6
253.08562	1.4
267.10196	0.9
285.11194	1.9
287.05548	1.4
287.08917	0.6
289.07047	7.3
290.07437	0.4
295.09689	0.6
297.11139	0.7
299.09076	0.5
303.13480	0.9
309.11292	0.7
309.16632	2.4
327.12244	5.7
328.12549	0.6
329.13791	1.9
345.13275	1.4
347.09583	1.0
359.11090	0.5
471.22025	27.0
472.22165	1.1
495.16739	0.5
507.16531	0.4
589.35730	0.9
633.27191	92.6
634.27661	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	633.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76475	0.3
64.08987	0.3
67.05487	0.7
69.07080	0.4
69.36656	1.7
79.05512	0.6
81.07069	0.5
85.02919	0.6
91.05498	0.7
93.07079	0.6
94.06598	0.8
95.04969	0.6
95.08621	0.4
97.02895	1.5
104.26431	0.3
105.07021	0.6
107.08598	0.6
119.08612	0.5
122.06041	2.4
125.95756	0.3
140.07069	2.8
145.10214	0.5
146.06032	1.3
147.06822	0.5
148.07590	3.0
151.03940	0.4
153.01855	0.3
160.07645	0.3
170.09683	0.5
184.11272	0.4
185.04204	0.4
187.12383	0.6
190.05029	1.1
198.09129	4.1
200.09402	0.5
203.05304	1.6
207.76857	0.3
210.59467	0.3
212.10786	0.7
215.11780	3.4
225.10181	0.4
226.08607	1.7
227.08386	0.4
227.11794	1.0
239.97389	0.3
240.10501	0.5
241.09850	0.4
242.10432	0.6
243.11278	18.9
244.11871	0.4
255.11252	3.6
257.12885	1.4
259.07935	1.2
259.10870	1.5
266.77866	0.4
268.13431	0.4
283.10651	0.4
285.12335	19.7
286.12646	0.9
287.13913	2.0
301.11819	5.0
301.14941	0.5
302.12656	0.4
303.13385	20.7
304.13690	1.0
309.16708	1.9
326.80807	0.4
347.09451	1.1
365.10480	3.1
421.13205	1.3
430.17596	0.5
446.17245	0.8
448.18839	0.9
471.21988	25.7
472.22205	1.6
474.16748	0.6
571.25757	2.1
589.26654	0.7
589.34503	0.7
615.24341	0.4
633.27136	100.0
634.27411	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	633.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93740	7.2
98.22728	2.3
122.06039	7.9
136.07574	14.3
138.05472	3.0
139.03949	2.0
140.07056	9.1
146.06020	6.1
148.07529	4.3
152.07045	4.1
152.49052	2.0
162.00478	2.0
164.07100	13.0
164.08273	2.5
166.08624	5.1
167.01828	2.0
172.03853	4.8
174.05434	4.8
176.07094	12.4
204.06558	7.6
208.09904	3.0
212.03862	2.0
224.13130	2.4
231.69142	2.1
235.12173	3.1
237.10243	7.8
237.13835	2.9
238.10951	8.9
239.11835	13.1
248.09480	2.9
249.10287	4.2
250.10860	5.3
251.11780	9.6
253.13350	2.4
255.11118	2.1
263.11777	16.7
264.12518	3.5
265.09796	7.9
265.13333	25.9
267.11200	3.6
269.12720	3.8
271.14291	5.0
277.10049	2.4
278.10455	2.6
279.11258	78.5
280.11911	7.5
281.12845	3.1
283.10883	3.2
285.12241	6.6
287.13837	7.7
291.11267	7.3
293.12933	6.1
294.13248	2.2
295.10873	2.9
296.11584	3.4
297.08975	2.8
297.12320	53.3
298.12979	8.3
309.12292	48.8
310.13046	19.5
311.13626	7.3
313.11734	3.1
319.10751	6.6
321.12366	6.4
337.11795	51.5
338.12616	19.5
339.13376	63.4
340.14169	3.5
345.14417	5.2
349.14310	2.2
360.16925	2.3
369.14441	43.0
370.15143	7.6
371.16016	42.3
442.17233	3.9
460.18683	34.7
478.19763	29.3
480.21051	4.3
492.20737	2.2
510.22336	100.0
511.22638	3.9
568.27411	2.3
601.26520	78.2
602.26917	3.6
633.29523	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76430	0.8
66.47772	0.8
67.05495	1.8
69.07067	3.2
70.49486	1.0
70.49820	1.3
84.13721	0.8
85.98035	0.8
91.05477	1.6
93.05846	1.0
94.06564	3.8
108.08116	2.0
115.01688	0.8
120.08136	1.0
122.06022	12.1
134.06091	1.6
136.07565	13.8
140.07063	18.9
144.04379	1.2
144.97809	0.8
146.06004	10.4
148.07545	10.0
150.09125	1.2
152.07027	3.6
162.05513	1.0
164.07066	14.5
166.08620	12.5
172.03940	6.3
173.04628	1.5
174.05510	7.0
176.07060	16.6
190.04999	3.4
191.05783	1.2
192.06606	1.7
204.06535	10.5
206.08141	2.5
208.09697	1.7
211.12311	1.8
213.93535	0.9
214.67393	0.9
216.10269	1.0
218.08217	1.6
221.10728	1.2
222.11406	1.2
223.12317	2.0
224.09421	1.8
225.10234	3.7
225.13799	1.6
227.11786	2.2
235.12239	2.2
236.13054	1.5
237.10190	8.5
237.13905	2.4
238.10965	10.1
239.11789	14.8
246.07535	1.5
248.09496	1.6
249.10185	4.4
250.11000	3.7
251.11781	12.4
252.12448	2.2
253.13368	3.3
255.11392	1.3
261.12411	3.5
262.10956	1.4
263.11819	14.0
264.08829	3.1
264.12415	2.6
265.09790	6.0
265.13361	26.9
266.10587	1.2
266.13943	2.1
267.11151	5.0
268.12125	1.2
269.13046	1.3
270.13580	1.2
271.14392	8.7
275.11768	2.0
277.09689	6.5
277.13321	3.0
278.10443	4.1
279.11273	100.0
280.11960	11.5
281.12918	3.4
282.13644	1.1
283.11060	2.0
283.14453	2.1
285.12314	3.4
287.13913	11.3
289.15378	2.8
291.11240	5.0
292.12064	3.0
293.12790	7.4
294.13367	2.0
295.10818	3.7
295.14349	2.3
296.11560	4.3
297.12332	59.6
298.13052	8.2
299.13745	1.7
307.10837	1.1
309.12311	37.9
310.13083	18.8
311.13925	4.8
313.11862	8.0
319.10733	5.3
321.12305	11.0
321.15875	1.4
322.13345	1.0
323.10233	1.1
324.11182	2.6
325.11649	6.0
331.13004	3.4
337.11810	67.5
338.12531	25.1
339.13382	78.3
340.14047	4.6
341.14682	0.9
345.14441	3.7
347.16016	1.2
369.14410	12.7
370.15036	2.6
371.16025	35.1
372.16617	2.0
385.13968	1.9
392.19794	1.1
400.16565	3.1
416.19830	1.0
418.17578	1.9
420.18814	0.9
438.20181	5.9
442.17569	5.1
443.18314	1.5
450.20163	1.5
460.18655	66.1
461.19214	6.0
464.18021	1.8
465.18790	2.6
466.19662	2.7
478.19720	51.6
479.20297	6.4
480.21329	11.2
481.21185	1.2
492.20865	1.4
496.20810	2.1
510.22314	24.9
511.22653	3.7
583.25128	3.9
601.26526	75.4
602.27112	4.3
633.21106	0.9
633.29150	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	633.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59702	2.4
55.56141	2.8
71.71876	2.3
74.11185	2.6
77.96847	2.3
79.05018	2.4
80.43185	2.6
89.08819	2.8
93.73798	2.4
98.22795	9.7
98.23470	5.2
129.22049	2.7
130.65884	2.4
170.26590	2.4
173.32352	2.8
175.79817	2.8
181.04982	10.3
196.07307	13.3
211.09602	14.9
498.99332	2.9
541.27435	13.7
556.29999	8.5
561.33710	3.8
571.32355	77.6
615.31439	8.5
633.30688	100.0
634.31903	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	634.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01622	0.5
51.02407	0.6
51.17923	0.2
53.00314	0.2
53.03955	0.4
55.01896	0.7
62.59322	0.2
66.02708	0.2
68.99814	0.2
69.03458	0.8
69.26792	0.2
69.33644	1.0
69.70776	0.2
71.01373	0.2
73.50832	0.2
79.01851	5.6
79.05505	0.3
81.03418	2.4
81.07037	0.2
84.25464	0.1
85.02924	0.6
87.00838	0.4
90.38085	0.2
91.05473	0.2
97.02902	1.4
98.23553	0.3
103.05487	0.2
105.07072	0.2
107.01334	1.6
109.02876	0.4
109.85877	0.2
119.04961	0.5
123.00779	0.2
125.02345	3.0
125.03216	0.3
127.03911	1.2
131.04938	0.2
135.04373	0.2
137.02347	60.5
137.03439	4.8
138.02696	0.6
139.03941	0.3
143.03397	6.0
145.02817	0.2
147.04442	0.6
153.01826	100.0
153.02907	5.8
154.02162	1.5
159.04402	0.5
162.03116	0.9
163.03880	1.4
175.03870	0.9
176.04701	0.2
177.05481	1.0
179.03343	0.4
180.00482	0.3
187.03854	0.4
190.02611	0.9
191.03380	8.9
192.03969	0.3
193.04933	0.3
195.01407	0.2
195.02873	1.8
197.04442	0.7
204.04144	0.2
205.04953	3.2
207.02837	0.3
207.06479	0.6
208.03580	0.4
209.04486	1.6
213.03888	0.4
215.03386	0.5
216.04045	0.4
218.02022	0.5
219.06412	0.7
221.04361	0.6
223.06010	2.3
232.03618	0.3
233.04433	3.0
235.05977	0.6
239.05460	0.9
243.02803	0.4
243.11292	0.4
244.11484	0.2
247.05951	1.0
251.05502	20.7
252.05666	0.5
255.04921	0.9
257.04407	0.2
260.03098	0.8
263.05402	0.9
275.05487	4.8
276.05826	0.2
285.11917	0.2
293.06540	4.3
303.13162	0.3
311.07367	0.5
379.13324	0.2
384.34567	0.2
403.06067	0.2
429.07687	0.5
445.07108	0.3
447.08777	0.4
463.08298	0.7
465.09714	0.7
617.11157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98096	4.6
69.21438	28.2
79.12305	4.8
81.07050	8.4
95.08601	6.3
120.70659	4.7
123.04415	9.1
133.08882	4.7
137.06006	9.3
139.07562	11.9
155.03297	5.8
166.06259	5.3
167.07039	52.5
181.05003	33.2
183.02870	10.0
183.06555	10.0
184.07423	6.0
196.07304	100.0
198.05229	12.7
209.08243	9.4
211.09660	92.1
212.09973	4.9
213.07552	97.7
223.09686	19.9
476.01627	5.9
513.10651	5.4
579.07666	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	634.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05513	0.6
57.07077	50.9
58.07419	0.3
59.05004	6.0
62.01502	0.2
67.05501	0.3
67.56795	0.2
69.03431	0.8
69.07106	2.1
71.08638	1.1
73.02911	1.4
73.06560	1.0
75.04512	0.2
77.03923	0.5
77.06050	1.0
79.05509	0.6
79.16118	0.3
83.04987	0.3
83.08604	0.3
87.04469	26.7
88.91282	0.3
89.06033	40.6
91.05477	5.8
91.07582	0.4
93.07040	5.9
95.04973	2.9
95.08597	0.5
95.60358	0.2
97.10110	0.2
99.04472	0.5
101.02322	0.3
103.03945	100.0
103.07581	2.3
103.38533	0.2
104.04317	0.8
105.04534	1.1
105.07023	1.9
107.04967	1.0
107.07071	1.2
107.08588	2.2
109.06525	1.0
113.13298	1.0
115.05453	0.3
117.07017	1.5
118.07809	4.0
119.04939	3.3
119.08578	3.7
121.06509	25.0
121.08548	1.8
121.10172	1.0
122.06884	0.3
123.08098	0.8
129.07054	0.6
130.08684	1.0
131.07043	7.0
131.08603	0.6
132.09421	0.3
133.08607	26.0
133.10196	0.8
135.08058	4.4
135.10124	0.3
135.11697	1.8
138.18288	0.3
145.05006	0.7
145.10146	0.5
147.06561	5.3
147.08072	10.9
149.09633	3.3
149.13332	0.6
150.06757	2.4
159.11702	1.5
161.09604	0.6
163.09702	3.2
163.11217	1.9
165.07713	0.5
165.09117	10.3
167.10707	0.9
173.09697	0.5
175.09676	3.5
175.11104	0.6
176.19775	0.2
177.11240	8.0
177.12749	1.1
179.10675	0.3
189.07646	0.7
191.09181	5.8
191.10754	2.6
193.12340	0.7
207.12276	4.0
207.14108	0.3
209.11742	4.6
209.13721	0.5
211.13287	1.5
217.17076	0.6
219.12253	0.3
221.13750	1.5
227.12831	0.4
233.10284	0.3
233.19002	17.6
234.19276	0.4
235.11649	11.0
251.14880	2.1
253.14445	1.6
255.15976	1.0
259.20575	2.4
267.12186	0.6
269.15991	2.2
271.15472	2.1
275.23819	0.7
277.21628	23.6
277.71512	0.3
278.22018	0.8
279.14310	6.1
283.17529	0.5
295.17554	0.5
297.15201	0.5
299.18723	0.3
303.23199	1.7
310.59009	0.3
311.14880	0.7
315.18042	1.8
321.24234	9.5
322.24725	0.3
323.16968	1.8
333.45340	0.3
335.22321	0.3
341.18011	0.5
359.20862	0.6
365.26791	0.7
367.19589	0.5
379.24954	1.2
383.27985	0.5
403.23279	0.7
409.29355	0.4
417.21216	0.7
423.27591	0.8
427.30862	0.6
447.25925	6.5
461.23877	0.4
471.33307	0.5
505.26440	9.2
506.26843	0.6
515.35901	0.6
540.08130	0.3
545.06525	0.3
559.38373	8.7
573.36615	0.3
599.38055	0.4
617.38947	8.5
618.39697	0.4
634.41638	18.7
635.42084	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.4
57.07077	33.2
59.05001	1.0
67.05515	1.2
69.07065	5.4
69.73816	1.6
69.74205	1.5
71.08634	45.8
72.08954	0.9
73.06566	2.5
76.64866	0.7
77.03935	0.9
79.05503	1.3
81.07077	1.9
82.72917	0.8
83.08621	1.7
85.10180	2.3
86.09713	2.5
87.04472	17.9
89.06034	100.0
90.06371	1.1
91.05488	10.8
91.07582	1.0
93.07067	6.8
95.04967	3.3
95.08604	1.6
98.22716	1.1
103.05499	1.8
105.04541	1.3
105.07043	3.2
107.04963	1.8
107.07060	2.1
107.08639	3.8
109.06518	0.9
109.10177	0.9
111.08060	0.7
115.50520	0.8
117.07030	2.1
117.09218	0.9
118.07851	0.9
119.00560	0.8
119.04954	3.9
119.08592	8.4
121.06512	26.0
121.10168	1.8
123.08073	1.0
125.00009	2.4
125.06938	0.7
130.08655	1.6
131.07031	9.3
131.08568	1.3
131.80206	0.7
133.08611	66.4
134.08978	1.3
135.08070	3.8
135.11722	1.6
144.08124	1.2
145.10155	1.0
147.08054	13.6
149.09619	3.3
150.06790	1.5
159.11690	1.0
161.09657	1.3
163.07567	1.1
163.11189	2.8
165.09119	13.3
167.10701	1.9
173.09673	0.9
173.13332	1.2
175.09697	3.8
175.10974	0.8
176.14359	2.1
177.11238	26.5
177.12782	1.7
184.07306	4.3
189.12791	0.8
191.10672	4.3
193.12349	0.9
195.12253	1.1
202.15904	16.0
209.11722	5.9
211.13333	3.9
212.31215	0.8
219.12358	1.1
220.16962	1.9
221.13864	6.7
235.13330	3.1
239.15054	1.3
247.20569	21.9
253.14426	2.4
255.15955	2.8
265.16455	2.7
273.22040	3.8
274.22375	0.8
279.15933	1.5
283.17517	2.1
291.23178	29.4
291.26431	1.7
292.23560	1.1
297.16815	1.8
298.80936	0.9
299.18842	1.0
300.13602	19.9
301.14053	0.9
309.19006	1.5
317.24838	3.5
323.18503	1.0
335.25769	11.4
359.20340	0.9
403.23297	1.9
491.28665	9.0
543.48511	0.9
617.42590	25.9
618.42657	2.1
634.38947	5.9
634.44873	9.2
635.41052	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	635.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01862	1.8
55.05505	2.3
57.03424	2.3
57.07075	1.1
59.05008	0.7
61.02915	2.7
67.05500	5.8
69.03429	10.9
69.07060	3.5
69.49113	2.4
71.04984	2.2
73.02927	1.4
79.05481	2.0
79.84557	0.6
81.03420	6.4
81.07043	2.5
83.04993	0.7
85.02903	20.7
87.00834	5.6
87.04445	1.1
91.03947	0.8
91.05456	3.1
93.07040	4.5
95.04966	1.4
95.08604	44.6
97.02894	8.4
97.06511	1.2
98.22737	1.4
99.04452	3.5
105.01852	6.0
105.07026	11.9
107.08583	5.0
109.02875	6.1
109.06515	1.5
109.10146	4.2
111.08091	0.7
114.33119	0.6
117.01866	0.8
117.07045	0.9
119.08572	23.8
121.06498	0.9
121.10146	12.8
123.08073	7.3
123.11735	1.1
125.05980	0.7
127.03906	9.4
127.42599	0.6
129.01779	0.8
130.63219	0.6
131.08537	1.9
133.06520	5.4
133.10123	15.2
135.08023	1.0
135.11688	36.6
136.12018	1.1
137.09598	8.1
137.13203	4.0
143.08572	1.3
145.04948	4.4
145.10127	1.9
146.10915	0.7
147.08063	3.1
147.09122	0.8
147.11679	22.8
148.12137	1.0
149.09613	26.2
149.10822	1.2
151.07533	5.1
156.09300	3.0
159.02959	1.6
159.08026	2.0
159.11725	1.0
161.13252	55.0
162.13609	1.8
163.11061	0.9
165.12737	1.8
171.11687	4.7
174.10384	4.5
179.14310	9.0
186.22784	0.6
189.12737	53.4
190.13078	1.6
207.13797	100.0
208.14119	2.4
213.04074	0.8
225.14833	19.0
231.04889	1.6
368.19922	0.6
369.18622	1.0
372.15628	0.7
387.20044	3.8
439.15955	0.7
448.04379	0.7
461.65329	0.7
536.53760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38732	0.3
53.03939	0.4
55.01868	0.5
55.05498	1.0
57.07108	0.3
59.57174	0.2
61.02903	0.7
65.03932	0.6
65.13199	0.3
67.05508	1.5
69.03452	1.8
69.07053	1.1
71.12369	0.3
72.82403	0.3
77.03928	0.3
79.05484	2.4
79.06323	0.3
81.03400	1.1
81.07052	2.7
83.08602	0.3
85.02907	3.6
87.00816	1.3
91.05478	7.6
93.07053	2.6
95.04952	0.7
95.08597	1.0
97.02909	1.3
99.04444	0.9
103.05463	0.6
105.01878	2.7
105.07032	8.6
107.08578	1.8
109.02856	1.2
111.93630	0.3
115.03923	0.3
115.05424	1.2
116.06242	1.3
117.07018	4.1
119.08578	11.8
119.09430	0.6
120.08092	0.6
121.10143	3.8
126.09187	0.3
127.03896	2.6
128.06248	1.3
129.06104	0.4
129.07004	5.5
130.07776	2.1
131.08565	25.2
133.09178	0.5
133.10129	7.1
135.08018	0.6
142.07768	0.8
143.07437	0.7
143.08557	13.7
144.09348	4.2
145.04948	1.3
145.10124	13.2
147.11649	1.7
149.09616	0.3
149.13271	0.5
156.09344	1.2
157.10124	0.6
158.10918	14.9
159.02834	0.5
159.11404	0.4
171.11700	0.8
173.13254	100.0
174.13618	2.2
175.14821	9.8
175.16345	0.5
189.03906	0.4
189.65341	0.3
191.14301	7.6
209.15376	0.8
229.87250	0.3
231.04895	1.5
249.06110	0.6
257.15433	0.3
283.88507	0.3
299.16278	0.9
326.87228	0.3
333.14627	0.3
334.38284	0.3
403.17462	0.8
421.18536	1.2
439.19580	0.7
636.27692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05511	9.4
57.03212	1.0
57.03439	9.8
57.07065	2.1
59.04982	3.3
61.02924	5.6
65.03932	2.6
67.05505	65.9
68.05828	1.2
69.03419	4.9
69.07069	8.0
71.04993	5.9
73.02907	1.7
74.36596	1.2
79.05495	12.4
80.56372	1.2
81.03417	36.7
81.06623	1.9
81.07053	21.3
82.03728	1.4
83.04983	8.4
83.08622	15.8
85.02905	18.0
85.06519	2.8
91.03931	1.3
91.05481	19.2
93.07034	11.4
95.04975	13.3
95.08608	10.2
97.02882	7.2
97.06512	2.9
97.10165	2.2
98.22691	2.4
99.04412	1.5
99.08116	2.1
105.07024	12.5
107.04942	4.6
107.08584	7.7
109.06517	2.4
109.10158	58.2
110.10478	2.7
111.04409	2.4
111.08085	7.1
113.06004	1.7
119.08585	13.0
119.55161	1.0
121.10145	5.4
123.11720	3.7
125.09628	1.3
127.03902	1.6
127.11144	1.4
129.06987	4.4
131.08562	4.8
133.10149	6.2
135.11676	1.5
137.09579	2.6
137.77531	1.4
139.03972	1.2
142.07753	1.3
145.10164	1.8
147.04416	1.1
147.11708	10.7
149.09641	3.8
151.11264	2.2
153.96255	1.3
155.10645	5.2
157.10144	8.1
163.11139	1.5
165.12787	3.5
166.96521	1.2
173.11725	15.0
175.11171	8.9
193.12248	26.1
201.03876	1.1
211.13292	30.6
229.14348	62.1
230.14664	2.1
267.15903	16.1
285.16953	31.0
286.17236	1.6
317.24707	1.7
335.25815	6.2
353.26733	6.9
371.27881	3.8
403.24762	1.6
421.25925	18.4
439.26913	100.0
440.27374	6.5
440.32330	1.2
503.08942	1.2
635.41803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54776	0.9
59.03135	0.9
65.03944	1.1
66.04693	0.9
67.05501	3.4
69.03437	1.3
69.92999	0.9
74.35454	1.0
79.05497	5.0
79.34568	0.9
81.03424	1.4
81.07048	3.6
83.01360	1.1
86.09698	2.2
91.05489	3.3
93.07052	2.6
94.04195	1.4
95.04976	2.2
95.08590	1.7
96.05787	1.3
97.06517	1.1
99.04483	1.7
107.04949	1.7
107.08608	1.0
109.06519	6.2
111.08081	1.7
121.06496	1.9
121.10109	1.3
122.84134	1.0
123.04444	2.9
124.05236	2.2
125.05988	1.8
129.07022	1.1
133.06523	1.6
137.05971	11.0
138.03134	1.3
138.90131	1.0
139.07539	15.0
140.04640	2.1
145.06487	2.2
152.04712	1.8
153.05495	5.5
155.03384	3.4
155.07089	1.6
155.08543	1.1
161.06015	2.1
163.07516	1.2
165.01743	1.1
167.07045	64.8
168.04210	2.2
169.05002	3.8
170.05804	1.4
173.05949	3.3
175.07570	1.9
177.05463	2.7
177.09106	1.1
179.06953	1.6
181.08574	1.4
182.05803	1.7
183.02916	16.1
183.06529	17.9
184.07310	3.9
186.05240	2.4
189.09177	1.2
191.07066	3.7
193.08603	2.8
195.06482	1.3
195.79675	1.0
196.07312	1.2
197.08072	3.7
198.05229	14.6
199.05820	1.4
203.07014	3.0
205.08583	1.3
207.06575	1.4
209.08104	7.1
211.09657	1.8
213.07573	100.0
214.07919	2.0
217.08636	1.1
221.08075	1.8
223.09653	18.6
227.09006	2.0
231.13766	0.9
235.06841	1.0
235.09605	1.7
237.11267	2.9
249.11174	2.4
288.17279	1.0
374.38895	1.0
495.27713	1.1
527.30212	1.8
555.29248	4.3
587.32202	2.3
595.20465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	34.1
59.05006	4.2
61.02888	0.7
63.68234	0.8
67.05508	1.7
69.03429	3.0
69.07071	1.2
71.08640	1.2
73.02914	2.6
73.06557	0.9
74.46297	0.8
81.07065	1.6
81.50162	0.8
83.08639	0.9
87.04468	100.0
89.06036	10.7
91.05477	3.8
93.07049	2.9
95.04998	4.0
97.02872	0.9
104.38667	0.8
105.07036	2.4
107.08570	1.6
113.05992	3.1
113.13249	0.8
117.07053	1.0
117.09170	1.6
118.07798	2.0
119.04964	2.0
119.08585	2.7
121.06504	17.4
121.10115	1.4
122.08147	1.5
123.08029	1.0
131.07039	10.7
133.08591	7.5
135.08047	3.5
135.11713	1.0
147.08073	6.5
149.09639	2.3
150.06747	1.6
150.07874	0.8
157.08607	2.4
157.09885	0.8
159.11781	1.4
163.11241	1.6
165.09140	6.1
167.10670	1.2
175.09676	8.7
177.11221	3.1
191.10684	2.4
193.12329	0.9
201.11259	2.7
209.11731	2.5
211.13377	1.5
219.12286	6.5
233.19012	11.7
235.13206	1.5
245.13974	1.1
247.20753	0.7
248.80138	0.7
253.14297	1.1
255.15912	1.5
259.20642	1.3
263.14844	1.4
277.21609	14.1
279.15933	1.1
303.23108	1.5
310.73346	0.7
313.27469	1.3
319.22620	1.1
321.24353	8.5
323.18195	0.7
363.25253	0.8
385.22260	1.1
400.18570	1.8
403.23273	1.9
471.26260	1.1
489.26865	3.5
515.35602	3.0
576.24872	2.0
583.38141	2.5
601.39313	2.9
618.42346	4.6
636.26447	0.8
636.44171	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05517	0.3
57.03438	1.3
61.02922	0.4
61.33938	0.2
63.85170	0.2
69.03426	1.7
69.16630	0.3
70.70807	0.5
71.04987	4.1
73.02914	1.2
75.04473	0.3
83.04967	1.4
85.02897	8.6
87.00811	0.2
87.04491	0.3
97.02879	3.9
109.02862	0.3
111.04427	1.3
115.03938	1.5
121.54343	0.2
125.50040	0.2
127.03904	0.9
129.05492	3.4
133.04938	1.5
139.03888	0.3
145.04988	1.3
147.06561	2.1
163.06039	0.4
169.04976	0.4
177.05341	0.3
225.07593	0.9
241.06976	0.4
243.08649	0.8
259.08279	0.7
261.09680	0.6
273.09720	0.5
279.10754	2.8
295.10254	0.7
309.08716	0.3
309.11969	1.0
395.10974	0.5
408.27670	0.3
410.13367	1.5
425.11932	2.9
428.29059	0.3
440.14395	5.3
441.15039	0.7
476.42227	0.3
637.22473	100.0
638.22797	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	637.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96923	0.3
55.05513	0.4
69.47945	0.9
69.48326	0.7
76.52567	0.4
81.07037	0.4
85.02905	0.7
86.09728	0.4
91.05502	0.5
100.11270	1.1
111.04468	0.4
139.03879	0.4
182.15486	0.6
210.15109	0.4
289.11209	0.5
295.50113	0.4
395.11160	0.6
410.13281	1.2
425.12134	1.7
440.14453	4.7
441.14978	0.8
562.67261	0.5
577.19592	0.9
637.22491	100.0
638.22791	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21381	0.4
69.48228	0.8
69.48608	0.7
87.69716	0.4
91.84966	0.4
98.56745	0.4
110.81374	0.4
118.06484	0.4
129.87813	0.5
192.62439	0.4
298.13107	0.5
330.69888	0.4
377.17441	1.4
378.18298	0.9
385.14276	0.7
386.15421	0.7
387.16254	0.6
389.17743	0.6
390.18774	0.7
391.19354	1.0
392.19846	1.1
393.20718	2.5
397.14926	0.6
398.15967	0.5
399.16190	2.6
400.16998	2.4
401.17767	3.6
402.18066	1.1
403.19101	0.7
405.20792	1.3
406.21475	0.7
407.22375	3.0
411.16342	0.7
413.17520	2.5
414.18539	3.7
415.19342	8.2
416.19547	1.9
417.21271	1.0
419.18738	0.8
421.20108	3.0
425.17719	1.1
427.19144	1.8
428.20361	3.1
429.15955	0.8
429.21231	7.6
430.22168	2.5
431.17789	0.7
435.21713	1.9
436.22186	0.6
439.18802	0.7
441.17087	2.1
442.17838	1.9
443.17105	2.6
443.22580	3.2
444.18436	4.2
444.23978	1.2
445.20251	2.9
455.18619	0.7
456.19312	1.7
457.20547	4.4
458.21365	4.2
459.17566	0.9
461.19980	1.0
463.20660	0.6
469.16696	0.8
470.16458	0.6
471.22195	6.9
472.23282	5.4
473.19308	4.7
474.20242	1.4
475.21857	0.6
483.17767	0.7
484.19131	0.7
485.19833	2.7
486.20642	6.7
487.21396	4.0
488.22141	1.8
489.23398	0.9
490.20215	1.9
491.20441	0.6
499.21341	10.7
500.23047	2.9
503.24802	3.9
513.19330	1.3
514.20081	1.0
516.21246	1.0
517.22241	4.0
527.20721	1.9
528.21582	1.7
531.23914	12.7
532.23633	0.7
541.22058	0.7
543.23840	1.4
545.21350	0.9
549.25067	1.2
559.23364	80.1
560.23688	6.6
587.22870	15.6
588.23132	1.3
605.22974	0.6
619.25482	100.0
620.25848	8.0
637.26434	14.1
638.27332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34380	1.6
70.52796	2.3
79.37434	1.7
105.09319	1.6
134.63933	1.5
157.55228	1.4
194.83644	1.5
197.48135	1.6
215.08189	2.0
285.14017	1.9
391.19376	4.4
405.21188	2.9
407.22556	2.2
415.19086	5.9
419.18695	3.3
420.19565	1.9
421.20282	3.0
428.20425	2.7
429.21436	3.0
433.16428	4.5
435.22012	5.5
444.19589	2.0
445.19836	2.1
447.17892	2.3
457.20435	3.7
458.21396	2.8
461.18857	1.8
462.20490	3.6
463.21576	5.2
471.22299	3.7
472.22891	3.9
473.19763	3.5
474.20264	2.1
485.19772	2.3
486.20386	4.0
499.21274	6.6
500.22174	2.3
513.19006	3.7
517.22565	9.8
531.23621	7.3
549.24945	13.9
559.23444	42.5
560.23718	5.7
577.24652	2.9
587.23206	8.2
591.25482	2.0
605.24213	4.6
609.27960	2.5
619.25610	40.5
620.26294	2.6
637.26520	100.0
638.26807	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	637.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07043	0.6
69.13329	1.7
69.13730	1.0
89.82306	0.5
96.36949	0.5
98.22600	1.0
106.24322	0.4
111.24329	0.5
117.34541	0.6
119.08572	1.2
133.10124	1.1
136.02319	0.4
149.59496	0.5
151.03987	0.7
152.07079	0.6
175.14836	1.8
193.73257	0.5
194.08109	0.8
236.09384	0.8
237.10240	2.0
238.11040	1.6
239.11813	5.2
249.10229	0.9
250.11134	0.8
251.11816	5.0
252.12511	4.6
253.09744	7.9
253.13368	8.2
262.11041	0.6
265.09882	1.4
265.13327	3.1
266.14142	1.2
267.11276	12.9
268.11755	0.8
279.11234	2.2
280.12030	7.7
281.12820	20.5
282.09918	0.5
282.13165	1.3
293.09180	0.5
295.14377	20.3
296.11691	0.8
296.14795	0.5
297.12299	2.9
298.13199	0.8
303.13544	0.8
308.11670	2.6
309.12354	0.7
311.10266	1.6
311.13858	15.6
312.14398	0.9
313.15427	1.7
314.16150	0.7
322.13046	1.0
325.11823	9.1
326.12592	13.2
327.12961	0.7
328.18149	1.0
331.13245	0.5
339.13376	9.7
340.14127	9.2
341.14948	100.0
342.15271	5.2
344.13770	1.3
346.15332	0.6
356.17456	0.9
359.16232	0.7
360.16925	1.4
374.18756	1.0
384.17099	2.2
388.16547	1.2
402.18063	1.5
418.17435	0.6
419.18341	0.6
420.19070	0.6
430.17529	0.9
446.17081	2.6
447.17874	5.6
448.18735	3.2
480.21298	42.2
481.22015	24.5
481.27786	0.4
482.22345	1.8
498.22311	9.7
545.23798	0.8
569.24347	0.7
587.24982	13.7
588.25006	1.4
605.26349	3.4
606.26099	0.7
619.27832	0.6
637.28442	4.7
638.28625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
57.03424	1.3
61.02929	3.4
64.96832	0.4
65.44260	0.5
65.79636	0.5
67.05505	5.9
69.03426	2.2
69.07073	0.9
71.01334	0.5
71.45235	0.6
72.41602	0.5
73.02911	2.5
79.05506	2.7
81.03418	1.5
81.07064	2.4
83.04984	0.9
85.02901	3.5
91.03960	1.8
91.05493	2.3
93.07047	1.9
95.04974	1.2
95.08604	1.2
97.02917	3.8
99.04488	1.1
101.02387	1.5
105.07030	2.0
107.08578	1.3
109.02900	0.6
109.10149	5.4
115.03936	0.6
115.28674	0.6
119.08596	1.5
127.03918	1.1
129.07007	0.8
133.10123	0.7
147.11696	2.0
155.10661	0.7
161.13200	0.7
171.11655	0.9
173.11775	1.9
195.10065	0.9
200.20262	0.5
205.94635	0.5
229.14493	1.1
243.08463	2.5
247.13072	1.1
281.17526	0.7
303.15729	0.7
413.17761	8.7
431.04315	0.6
465.20874	8.6
496.30011	0.7
637.31885	100.0
638.32220	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	637.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03654	1.5
53.03937	2.8
55.01873	1.8
55.05515	17.7
57.07070	3.4
67.05499	16.5
69.07064	16.4
69.16703	7.7
69.17108	3.0
71.08627	30.4
77.61339	1.6
79.05495	3.7
81.07049	20.1
83.05025	1.9
83.08618	14.1
93.07053	3.9
95.08595	13.2
97.10192	6.8
97.17862	1.9
98.22746	5.2
98.23430	4.3
99.08099	24.3
107.04951	2.0
107.08586	2.5
109.10183	5.9
111.11681	2.6
117.36589	1.6
119.11802	1.9
123.11763	5.6
125.06053	3.1
131.08615	3.4
131.96614	1.7
137.06006	8.5
143.08569	2.2
145.06590	2.7
147.08054	2.1
151.07512	1.9
153.05484	4.4
156.18407	1.8
163.07550	3.1
167.07083	4.5
169.05028	2.6
173.06076	4.2
175.07588	3.9
177.05521	2.6
177.09209	2.9
181.08617	2.9
183.06627	6.0
183.08095	2.2
187.07605	3.7
191.07033	3.0
195.17545	5.6
197.08157	3.6
197.19038	2.6
199.07645	3.4
201.05536	4.3
201.09137	5.0
203.10794	2.1
205.08585	2.3
211.07587	3.8
213.05516	3.1
213.07524	3.3
215.07039	9.8
217.08627	3.8
227.07053	11.2
227.09207	6.1
228.07957	2.8
229.05052	4.2
229.08577	12.1
230.05611	3.5
231.06557	4.2
239.10789	2.2
241.04976	2.4
241.08665	5.0
243.06506	54.0
244.07326	3.9
245.08147	5.5
255.06508	8.8
257.08072	100.0
258.05280	2.3
258.08447	3.1
259.06039	9.1
265.08765	2.8
269.08215	7.3
271.09674	11.1
273.07559	35.8
273.10245	2.6
283.09723	5.4
287.09155	18.2
295.09644	2.0
346.57263	2.2
369.17352	2.3
399.18063	5.2
409.23956	2.5
423.25385	6.1
425.23218	3.0
427.24954	2.2
437.23166	10.7
439.24707	18.6
440.25504	3.3
441.26315	3.6
453.26468	2.7
456.25195	8.7
457.26041	10.0
469.25824	42.3
479.28400	4.2
577.42291	4.1
581.46185	2.1
587.40753	6.1
605.42383	12.4
609.45056	10.5
619.43628	6.2
637.44708	62.7
638.44824	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	638.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.8
55.01865	2.6
55.05504	2.0
57.03179	1.0
57.03436	12.0
59.04995	1.6
61.02928	4.1
69.03426	18.8
69.34280	3.4
71.01342	1.5
71.04991	41.3
73.02911	16.7
73.03230	0.5
75.04482	4.9
81.03409	3.4
83.04977	17.2
85.02902	100.0
86.03236	0.9
87.04476	4.1
91.03953	1.2
95.04954	1.2
97.02889	39.6
98.03191	0.8
99.04466	2.3
101.02356	0.8
101.06030	0.7
103.03960	3.2
104.69618	0.8
107.08646	0.6
108.14832	0.6
109.02882	3.2
111.04442	18.9
113.02367	1.5
113.06023	1.3
115.03928	23.5
126.07265	0.6
127.03908	12.0
129.05473	41.8
130.92929	0.7
133.04956	13.3
139.03908	4.0
143.03406	1.0
145.04951	13.5
147.06520	30.7
149.04485	1.2
153.05457	0.9
157.04973	1.6
163.06027	7.3
163.07359	1.0
165.05508	0.9
165.07623	3.0
169.04974	4.3
171.06516	1.6
179.07053	0.8
181.04996	1.1
187.06042	1.9
193.04968	1.5
195.06592	1.1
199.06007	0.8
207.06421	0.9
211.06137	0.7
217.07056	1.4
223.06026	3.3
225.07535	11.4
237.07626	2.1
241.07080	3.9
243.08629	15.1
243.10886	1.0
255.08481	3.9
259.08173	9.1
261.09671	6.9
273.09671	9.1
277.09229	2.0
279.10739	36.8
285.17322	0.9
291.10873	1.6
295.10248	10.1
309.11789	16.0
325.11261	1.0
387.12479	0.9
405.13867	1.1
544.33881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01868	3.4
55.05503	2.3
57.03439	13.0
59.04986	1.2
61.02919	4.2
65.63094	0.8
67.05502	1.6
69.03062	1.6
69.03425	20.7
69.60726	3.1
71.01352	2.4
71.04991	42.9
73.02914	17.8
75.04480	4.7
78.03444	1.1
81.03400	5.3
81.07047	0.9
83.04527	1.5
83.04979	20.1
85.02901	100.0
86.03222	1.0
87.04449	3.6
91.05505	0.8
95.04944	1.8
97.02255	1.9
97.02887	37.9
99.04468	4.2
101.13609	0.8
103.03929	2.6
106.02914	2.8
107.08584	1.1
109.02875	4.7
111.04441	16.3
113.02405	1.4
113.06013	1.2
115.03136	1.2
115.03927	22.6
119.25203	0.9
123.04393	2.1
124.03959	5.8
125.05996	1.1
127.03914	11.6
129.05473	39.0
133.04959	10.7
137.05876	0.9
139.03891	3.5
145.04955	13.8
147.06509	22.2
149.04495	1.2
149.05978	1.3
151.03868	1.5
153.05478	1.0
163.06001	6.3
163.07413	1.8
165.05513	1.0
165.07605	2.3
169.04982	3.8
171.06540	2.3
177.05493	1.0
187.06000	1.9
193.04910	1.3
195.06485	1.4
199.05975	1.4
207.06480	1.0
217.06976	1.4
223.05977	3.2
225.07590	12.3
231.08789	1.4
237.07550	2.7
241.07112	2.4
243.08618	14.9
255.08705	4.1
259.08176	7.8
261.09726	7.0
268.08118	3.7
273.09695	8.4
277.09204	1.3
279.10727	34.7
291.10751	0.9
295.10275	7.2
309.11761	12.9
362.12109	0.9
387.12604	1.7
422.80841	0.9
515.04816	0.9
599.97058	1.0
638.24756	1.3
639.24188	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	638.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92151	0.4
53.03938	0.9
55.01867	3.2
55.05513	2.7
57.03436	11.7
58.99171	0.4
59.04993	1.9
61.02921	4.9
65.03938	0.4
67.05472	0.4
69.03425	23.0
70.18394	1.0
71.01347	2.6
71.04990	44.3
73.02914	17.6
73.03230	0.3
73.03342	0.6
75.04480	5.9
79.05482	0.4
79.51848	0.4
81.03405	3.5
81.07059	0.5
82.79880	0.4
83.04469	0.7
83.04977	19.0
85.02900	100.0
86.03237	0.7
87.04458	3.6
90.04099	0.4
91.03945	0.8
93.07018	0.4
95.04970	1.3
97.02888	39.6
97.20926	0.4
98.23377	0.6
99.04449	3.2
101.02371	0.5
101.06031	0.9
103.03933	3.4
107.04951	0.9
109.02882	4.1
111.04440	17.0
113.02383	0.8
113.06011	1.5
115.03927	21.8
125.02319	0.4
127.03905	12.7
128.15134	0.4
129.05472	35.8
130.05846	0.6
131.04930	0.4
133.04964	10.9
135.17317	0.4
137.06007	0.7
139.03902	3.9
145.04959	12.6
147.06516	24.4
149.02354	9.9
149.03453	0.9
149.04468	0.6
149.05966	0.5
151.03908	1.5
153.05495	0.7
157.04953	1.0
159.06648	0.4
163.05994	4.9
165.07590	2.0
169.04991	3.9
171.06561	1.7
173.04593	0.4
177.05490	0.6
179.07094	0.6
181.04948	0.8
183.06538	0.4
187.06010	1.6
193.04959	8.8
195.06573	1.2
199.06023	1.0
207.06483	1.0
213.07544	0.6
217.07147	0.6
223.05981	2.6
225.07564	10.8
231.08630	0.9
237.07565	9.3
237.09811	0.7
241.07031	2.7
243.08640	11.5
255.08672	3.6
259.08154	9.7
261.09665	5.7
273.09650	7.5
277.09183	1.1
279.10739	30.9
280.11185	0.9
287.39032	0.6
291.10828	1.2
295.10205	7.5
309.11786	12.7
341.06403	0.6
385.09015	1.2
387.12839	0.6
405.14011	1.4
429.11835	1.9
441.15860	0.7
577.13391	1.2
621.16064	1.9
637.47137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01870	0.7
57.03441	0.5
61.02922	0.8
67.05495	0.3
68.99782	0.4
69.03429	2.3
69.07065	7.0
71.04987	0.4
71.08642	0.2
71.43813	0.3
73.02913	0.7
73.15790	0.2
79.05484	1.1
81.03416	1.7
81.07076	0.5
85.02901	7.1
85.03409	0.4
87.00822	1.9
89.25611	0.2
91.05482	0.3
93.07034	0.3
95.04954	0.3
97.02891	2.3
99.04453	1.1
99.08107	0.2
103.03917	0.4
105.01868	2.3
105.06994	0.5
107.04954	2.1
109.02888	2.4
109.06518	1.4
111.04457	0.3
114.09242	0.2
115.03900	0.3
117.01862	0.3
121.06490	0.3
123.04404	0.5
125.05990	2.6
127.03912	3.9
129.01791	0.4
130.04082	0.3
137.05974	70.1
138.06302	1.3
139.03915	1.3
145.04956	2.5
147.02895	0.3
147.04382	0.4
147.08081	0.4
151.03850	0.5
151.07513	1.6
159.02859	1.2
161.05962	1.5
162.06696	0.2
163.03999	0.2
163.07530	0.8
174.06662	0.2
175.07533	0.8
177.05351	0.3
179.07002	1.3
189.03940	0.3
191.10788	0.3
193.12233	100.0
194.04724	0.2
194.12546	2.5
205.12230	0.9
211.13214	0.4
213.03825	0.4
217.12231	5.7
229.12274	0.3
231.04968	1.3
231.13791	0.3
235.13239	4.2
247.13266	0.3
249.06158	0.4
255.13887	0.5
259.13306	2.2
261.14780	0.3
277.14227	0.4
279.15912	0.6
283.13251	1.2
291.15903	0.5
301.14322	2.2
309.16638	0.3
311.08969	1.0
319.15259	0.5
327.17963	0.6
355.17496	0.3
387.14343	0.3
405.15192	1.0
423.16309	0.3
441.17453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03945	0.6
55.05510	5.5
57.03431	0.4
57.07079	0.4
60.70779	0.3
63.78332	0.3
65.03930	0.4
67.05503	2.6
69.03429	1.6
69.07071	9.1
69.75664	0.5
69.76037	0.6
71.04994	4.1
73.02880	0.3
76.75938	0.3
79.05503	2.2
81.03423	1.4
81.07056	7.2
83.04989	1.2
83.08611	3.6
85.02901	4.7
87.00823	0.5
91.05478	9.3
93.07045	3.7
95.04961	0.9
95.08604	9.0
97.02355	0.3
97.02868	1.6
97.13496	0.3
98.22726	0.4
99.04467	0.6
103.05481	1.2
103.53049	0.3
104.06265	0.7
105.01866	2.2
105.04517	0.4
105.07027	19.2
106.07355	0.4
107.08595	14.8
109.02893	1.6
109.06481	0.4
109.10160	3.4
115.05405	0.5
117.07020	3.5
119.08578	90.0
120.08930	1.0
121.10146	4.5
127.03914	3.2
131.08559	1.3
132.09319	0.3
133.10126	22.5
134.10454	0.8
135.11720	0.8
137.09596	0.6
143.08546	0.3
145.04991	2.3
145.10109	1.3
147.11694	3.7
151.14839	0.4
159.11684	0.4
160.12485	0.8
161.13284	1.2
163.05977	0.5
173.13283	1.0
175.14818	100.0
176.15213	2.8
177.16367	0.4
193.15866	9.8
215.09152	2.5
223.46001	0.3
231.04921	1.1
233.10191	3.5
249.06036	1.3
249.14780	0.5
284.09576	0.5
287.28012	0.3
513.06079	0.3
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
52.47299	0.6
55.01871	1.5
55.05517	3.0
57.03410	1.5
61.02924	1.6
65.55019	0.6
67.05505	2.9
68.14558	0.6
68.91814	0.6
69.03426	3.8
69.07062	4.9
71.04990	1.5
71.45221	0.6
79.05491	2.9
81.03434	1.1
81.07059	3.8
83.04981	0.9
83.08629	0.7
85.02405	1.0
85.02905	14.9
87.00822	1.3
91.03947	0.6
91.05480	1.6
93.07050	4.3
95.04990	0.9
95.08602	4.8
97.02898	3.4
97.06525	1.8
97.10166	2.9
99.04454	1.1
105.01851	0.8
105.07012	1.1
109.02887	1.3
109.06525	1.7
109.10147	1.8
109.50057	0.6
111.04469	0.9
119.08570	1.0
121.06487	1.6
121.10122	3.7
123.04440	4.4
123.08067	0.8
125.05987	9.3
127.03890	3.8
131.08537	1.0
133.10168	0.7
135.08046	1.0
137.05977	54.3
137.09583	1.1
138.06279	1.2
139.03906	6.6
139.11159	1.5
141.05492	2.9
142.56084	0.6
145.04942	3.2
145.06549	1.1
147.04347	0.7
147.08067	1.5
149.05991	1.4
151.07512	4.1
153.05464	74.1
154.05788	0.9
155.03355	1.0
159.08063	1.7
161.05971	8.2
161.09566	0.6
162.06419	0.7
163.03915	2.0
163.06145	0.9
163.07533	13.9
165.05476	1.5
165.09111	1.7
173.05959	1.1
173.09666	0.6
175.07553	5.4
175.14821	1.4
177.05498	4.7
177.09105	13.5
179.07040	7.0
185.04459	2.6
187.07483	3.2
189.09068	0.9
191.07008	2.5
191.10667	1.9
191.14304	1.0
193.08617	5.1
193.12251	6.7
195.06587	0.8
201.09122	1.7
201.12761	0.8
203.06996	1.2
205.15852	0.8
211.13298	2.6
215.10706	1.2
215.14311	2.3
217.12224	3.2
219.06664	0.8
219.13857	0.7
221.11748	1.1
233.15335	5.4
235.13315	3.9
243.13802	10.3
251.59880	0.7
259.13297	2.3
261.14868	5.3
265.14337	3.7
277.14200	1.1
279.15903	57.9
280.16321	1.6
297.16953	100.0
298.17493	2.8
299.16357	1.0
301.14374	2.0
303.15869	1.7
321.17047	2.5
345.17026	2.9
363.17957	4.5
369.16907	0.9
385.93503	0.6
387.17990	2.1
405.19196	1.8
427.18469	0.6
552.52606	0.6
568.63269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05519	2.0
57.03439	1.6
57.07081	1.4
60.54274	0.8
60.66229	0.9
61.02929	2.7
67.05511	1.0
69.03424	9.3
69.07073	0.8
69.93416	2.3
71.04996	1.6
81.03416	4.3
83.04973	1.1
85.02903	41.3
91.03953	1.2
91.74287	0.8
97.02890	9.7
98.22839	1.8
99.04455	1.9
104.05755	0.8
109.02881	4.3
110.42178	0.9
111.04446	2.9
121.02883	1.6
127.03899	9.3
131.63156	0.9
139.03894	100.0
145.04944	14.4
149.06000	1.2
153.05524	1.3
163.03879	1.1
163.06021	5.0
163.07486	1.0
181.22560	1.0
205.04860	0.9
261.18539	1.7
279.19562	13.2
297.20609	37.9
321.20691	1.1
345.20380	1.3
363.21643	3.2
423.23788	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.4
69.18609	5.0
79.05477	3.7
81.03426	0.8
81.07044	1.7
91.05441	1.6
95.04974	1.9
98.22733	2.4
98.23423	2.3
105.03397	1.0
107.04958	2.0
109.06509	3.2
111.85063	0.8
123.04420	1.6
124.05184	2.9
125.05937	1.1
135.04381	4.9
137.05937	2.0
139.03893	2.5
139.07536	13.1
151.03839	2.0
151.07550	1.0
152.04692	2.5
153.05452	2.7
154.06256	1.8
155.07065	1.2
163.07477	1.0
165.01831	1.0
167.07024	14.5
169.04977	3.5
173.05949	0.8
174.17029	0.7
175.07513	1.5
179.03453	2.0
181.05017	0.8
181.08597	3.1
182.05740	2.6
183.06525	2.8
184.07260	2.2
185.04398	2.0
191.10718	0.9
194.05798	1.2
196.07222	1.3
197.04417	15.8
197.08109	6.1
198.08693	0.8
199.09644	8.3
200.06801	2.0
205.08665	1.4
211.09616	2.0
212.06810	13.0
213.07556	2.3
215.09148	2.4
223.09593	3.5
227.09125	100.0
228.09399	1.6
237.11224	6.1
398.36368	0.9
525.28717	1.4
557.30499	1.9
589.33557	4.2
621.36200	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	638.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40081	2.6
67.05482	5.3
67.21285	3.1
79.05511	4.0
81.07059	7.3
95.08627	3.3
103.05434	2.7
105.07039	3.3
107.04977	5.5
109.06511	5.1
111.08072	3.1
125.06013	4.2
133.06564	3.3
137.05968	25.6
139.03828	3.8
139.07491	14.2
139.54865	2.9
140.04674	5.5
151.07605	4.3
151.35455	2.9
152.04639	3.7
153.05469	13.2
155.03416	2.7
155.61459	3.2
167.07045	61.9
168.04254	5.2
169.04947	10.3
175.07542	3.7
177.05444	3.5
181.08580	5.5
182.05786	5.1
183.02928	16.7
183.06520	57.3
186.05211	4.5
187.07495	4.3
190.86894	3.4
193.08548	4.1
197.08049	17.1
198.05264	11.7
199.05975	4.7
203.07083	5.5
209.08051	11.2
213.07568	100.0
223.09636	23.4
252.13214	3.5
463.03287	3.4
475.24597	4.6
493.25867	5.0
507.26871	3.9
525.28198	8.3
557.30798	10.0
589.33459	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	638.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82454	8.1
69.70721	30.4
88.32418	7.3
135.04333	7.7
139.07547	8.7
167.07042	14.7
176.74614	7.7
189.28448	8.5
197.04437	15.1
227.09119	100.0
581.63171	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	639.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
83.08624	0.9
100.11266	3.0
131.04854	0.7
137.05939	1.0
139.03947	1.2
147.04456	0.5
177.09116	0.9
182.15414	1.6
189.05180	3.3
205.04761	0.7
210.14870	2.8
363.12039	1.4
367.11655	0.8
379.11542	1.0
381.13101	1.2
382.13977	1.9
383.14780	0.6
383.21494	0.6
394.13873	2.4
397.12607	4.7
411.14282	1.2
412.14841	6.0
571.35608	0.7
639.24048	100.0
640.24298	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	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.94596	0.4
55.05490	0.5
67.05507	1.0
79.05514	0.5
81.07069	1.2
90.59341	0.4
90.95278	0.4
91.05504	0.7
93.07059	0.6
94.52412	0.4
105.07022	0.8
119.08563	0.7
123.52698	0.4
131.08595	0.5
183.22006	0.4
237.10211	0.4
239.11909	0.4
291.19650	0.6
393.16949	0.7
405.17145	0.8
406.17682	0.7
407.18585	1.9
408.19104	0.5
419.14371	0.7
419.19351	1.1
420.15384	0.5
421.20474	4.0
422.20901	1.6
432.19376	0.5
433.20337	1.3
434.17218	0.9
435.17209	2.3
436.22821	2.5
447.17398	0.8
447.22699	0.6
448.18762	2.6
449.19601	8.9
450.20154	2.8
451.21118	0.8
459.18332	0.9
460.18777	0.6
461.19644	1.7
462.20779	0.7
463.21753	4.8
464.22128	5.5
465.23065	0.9
474.20557	0.9
475.21063	1.7
477.18909	5.0
478.19577	2.4
479.20358	0.6
491.20709	0.8
492.21140	1.0
493.22266	1.3
505.22510	0.8
507.23904	1.6
521.21710	0.8
523.22626	2.1
533.21558	0.7
535.23309	3.6
536.24103	1.5
537.21515	1.3
549.21442	0.7
550.25769	1.5
551.26831	3.3
552.26239	0.5
561.25079	3.4
562.24744	0.5
563.22986	0.9
564.23541	4.6
565.23810	2.1
579.26080	5.7
581.23517	0.5
595.25299	2.8
596.26221	1.5
597.26794	0.9
607.25586	0.9
610.27814	0.6
621.18457	0.4
621.26941	2.6
624.25842	5.5
625.25867	0.7
639.28076	100.0
640.28235	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	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.4
69.24174	4.5
81.07069	1.4
91.05496	1.1
95.08588	1.3
184.07449	1.3
196.07446	1.4
208.09915	1.1
209.10672	1.4
211.12152	1.3
219.41742	1.0
221.10780	1.3
223.12234	2.0
225.13931	1.6
236.13025	1.4
237.13867	3.8
238.14650	2.7
239.15346	1.4
247.12500	1.2
249.13885	3.0
251.15480	4.2
252.16051	1.7
255.00790	1.2
261.13953	2.7
264.12497	1.0
279.14902	2.4
299.10083	1.5
312.14987	1.2
337.86163	1.1
365.18320	1.4
379.19116	2.3
393.17102	1.6
400.56689	1.0
407.18579	3.4
410.20486	1.5
421.20380	2.3
422.21225	2.4
423.21750	1.8
431.18750	1.2
435.22287	1.2
436.17859	1.4
449.19882	2.5
450.20688	1.4
451.21411	1.5
463.21970	1.3
479.21268	1.5
481.26288	1.3
482.22775	1.4
494.23737	2.2
496.24847	1.3
509.25534	16.4
519.24377	2.6
522.22351	1.2
536.24561	1.9
537.25134	11.5
538.25378	1.6
541.27252	1.6
547.23059	1.1
551.26514	4.7
554.25403	1.6
565.24414	11.4
569.27655	15.3
579.26154	3.5
596.26331	2.9
597.27039	100.0
598.27203	8.7
607.25580	6.6
611.28558	11.8
612.28601	1.9
621.26666	2.9
621.39166	1.6
639.27863	30.3
639.39899	14.3
640.28162	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	639.3505
Annotation	Pimelea factor P2
Peak:m/z	Relative Intensity
57.17316	3.8
58.70679	2.8
60.79566	3.1
66.89919	3.0
70.29049	4.2
70.29383	6.1
94.47206	3.3
113.36134	3.1
135.07248	4.5
167.06996	4.8
183.06612	3.6
430.61313	3.9
639.35004	100.0
640.34943	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00718	0.7
53.03946	1.3
55.01881	1.0
55.05498	2.6
64.17485	0.9
65.03929	1.6
66.04721	0.8
67.05503	6.3
68.99782	1.5
69.03420	2.2
69.07059	1.8
69.21255	5.5
71.05007	1.1
75.04472	2.5
77.03931	1.0
78.04699	0.9
79.05498	10.2
80.95332	0.8
81.03414	1.7
81.07068	7.2
83.05000	1.2
85.02901	1.1
87.15585	0.8
91.05480	6.3
93.03416	1.2
93.07053	4.0
94.04191	1.4
95.04977	7.8
95.08622	4.9
96.05753	2.0
97.02901	1.2
97.06511	1.8
99.04435	1.4
103.05439	1.3
105.03389	2.8
105.04541	1.1
105.05534	1.0
105.07041	3.3
106.37067	1.0
107.04969	7.6
107.08595	1.3
109.02902	1.8
109.06516	12.6
109.10214	1.3
110.03616	1.0
111.04460	3.9
111.08060	2.8
112.05211	1.0
113.05985	1.4
115.05524	1.2
117.07025	2.2
119.04874	1.1
119.08589	1.1
121.02859	1.9
121.06523	5.2
121.10152	1.9
123.04443	6.1
123.08066	3.0
124.05199	7.2
125.02364	2.3
125.05984	9.7
129.05482	1.8
129.07002	1.0
131.04973	1.7
131.08551	1.6
133.06490	1.9
135.04424	3.6
135.08044	1.7
136.05197	4.7
137.02390	1.1
137.05968	14.4
138.06738	3.6
139.03908	10.1
139.07544	19.9
140.04707	4.6
141.05482	2.1
143.08485	1.3
145.06476	1.8
145.10121	1.0
147.04391	1.0
147.08046	1.9
149.05983	2.9
149.09593	0.9
151.03874	2.9
151.07524	6.6
151.38731	0.8
152.04645	5.1
152.08191	1.0
153.01842	1.4
153.05470	36.9
153.09088	2.3
154.06255	12.9
155.03455	4.6
155.07043	9.1
156.04114	1.3
157.04962	4.2
159.04495	1.2
159.08080	1.4
161.06044	1.0
161.09682	1.3
163.03893	1.6
163.07578	2.8
164.04784	1.1
164.08586	0.9
165.01862	0.8
165.05490	2.3
165.09093	3.0
166.06270	4.3
167.03404	7.3
167.07039	35.9
168.04178	3.1
168.07733	3.3
169.04974	12.9
169.08601	17.3
170.05777	5.6
171.06520	2.0
173.06009	0.9
173.09613	1.0
175.07576	2.5
177.05502	2.8
177.09120	2.5
178.06381	1.2
179.03418	2.1
179.07060	2.1
181.05000	4.0
181.08604	10.8
182.05734	22.3
183.02931	7.2
183.06537	28.8
184.07269	2.1
185.04468	16.3
185.08113	3.0
187.07544	1.4
189.05548	1.6
189.09146	2.1
191.07004	3.3
191.10599	1.4
193.05011	1.0
193.08623	3.8
195.06534	2.6
195.10114	2.2
196.07294	5.2
197.04451	16.3
197.08093	100.0
198.05235	7.5
198.08449	1.9
199.05998	8.7
199.09665	5.6
200.06784	16.6
200.08641	0.9
203.07169	1.0
205.08618	3.2
205.12297	1.1
207.06508	2.5
207.10074	4.1
209.08125	2.7
211.06244	1.2
211.09665	31.5
212.06812	16.2
213.07567	37.2
214.08255	2.3
215.09114	5.0
217.08710	0.9
219.10249	1.3
220.74869	0.9
221.08107	3.5
223.09583	5.0
224.18719	0.8
227.09137	91.1
228.09448	1.3
231.10094	1.5
235.09605	1.2
237.11209	2.8
241.10748	2.2
291.00955	1.0
329.21176	1.5
359.22083	1.6
361.23669	2.3
375.25159	1.6
393.26447	2.3
395.25568	1.1
451.24811	2.0
457.25516	2.0
461.28787	1.3
462.63489	1.0
479.24249	2.5
483.27194	3.0
487.30383	1.5
489.28235	2.0
511.26779	8.1
515.29895	7.7
525.28333	1.8
528.26379	1.1
543.29449	10.9
544.29987	1.3
547.32678	26.9
548.33075	1.5
575.32043	26.5
576.32501	2.3
607.34741	16.4
608.35406	1.2
639.31274	2.0
668.45105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70478	0.2
55.01769	0.9
55.05412	3.9
55.05718	1.1
56.08190	0.2
57.03334	1.3
57.06996	0.4
59.04897	0.8
61.02826	0.7
61.03120	0.4
67.05397	3.2
67.05798	0.7
69.03316	4.1
69.03735	0.6
69.06956	16.3
69.07375	3.0
73.02827	0.5
79.05376	2.1
81.03291	2.9
81.06937	5.2
81.07446	0.5
83.01232	0.7
83.04861	1.1
83.08500	1.9
83.09040	0.4
85.02779	6.5
85.03343	0.8
85.06407	0.9
85.06889	0.3
87.04360	0.5
89.05959	0.4
91.03874	0.4
91.05347	2.0
93.06916	3.3
95.01231	0.6
95.04831	1.0
95.08478	3.6
95.09128	0.4
97.02760	2.4
97.06397	1.4
97.10024	0.9
99.00687	2.9
99.04323	1.9
103.05334	0.3
105.04401	0.4
105.06884	1.3
107.04837	0.7
107.08455	3.1
109.02732	1.4
109.06414	0.6
109.10138	2.6
111.04279	0.4
111.07932	1.0
111.11716	1.4
113.02222	0.7
115.05430	0.2
117.01755	0.5
117.06861	0.7
119.08441	0.7
121.06478	1.5
121.10140	2.6
123.07977	0.5
123.11694	1.3
125.05860	0.4
125.09513	0.6
127.03896	1.5
129.06924	0.5
131.08424	0.9
132.11407	0.2
133.06352	0.4
133.08531	0.3
133.10023	0.5
135.04285	0.5
135.07974	0.6
135.11684	1.4
136.07475	0.2
137.05826	1.0
137.13103	0.4
139.07455	0.6
139.11021	0.8
143.08488	0.2
145.06445	0.3
145.10027	0.5
147.07912	0.5
147.11586	0.5
149.05843	0.4
149.09477	0.3
149.13248	1.3
151.07532	1.6
153.05301	0.9
155.06911	0.8
157.09938	0.3
159.11563	0.6
161.05849	0.5
161.09438	0.3
163.03737	0.7
163.07420	0.9
163.09567	0.2
163.11069	0.5
165.08984	0.8
167.14206	0.5
171.11607	0.2
173.09578	0.3
175.07355	0.9
175.10994	0.7
177.05289	0.7
177.08931	0.9
179.06940	0.4
179.10570	0.7
181.04953	6.5
183.06572	1.7
189.09068	1.8
189.10503	0.4
191.06854	0.6
191.10509	0.9
193.12079	0.7
195.06514	13.5
201.08939	0.3
203.10550	0.7
205.08540	0.6
205.12189	0.4
207.06482	0.5
207.13664	0.6
209.08076	7.5
217.12146	0.3
219.13689	0.3
221.07886	0.6
223.09644	8.7
227.12593	0.3
229.12195	0.3
233.11688	0.3
233.15198	0.3
235.09671	1.3
237.08984	0.5
237.11201	7.8
249.11253	1.9
249.18422	0.4
251.12775	4.4
263.12659	0.7
265.14334	1.2
267.15744	1.1
277.14297	0.3
277.21368	0.4
279.15948	0.4
283.15268	0.4
289.14087	0.2
291.15863	0.6
293.17422	3.0
303.19278	0.3
305.17496	1.3
307.19025	0.5
317.17392	0.5
319.18921	0.9
321.20596	2.6
329.17310	0.4
347.18478	0.3
367.22461	0.3
403.24646	0.4
415.31992	0.5
430.75775	0.3
433.25851	0.7
441.29941	0.8
459.31592	6.3
477.32135	100.0
478.32465	4.0
621.32910	0.5
639.37512	11.6
640.37042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13449	0.9
53.03946	9.3
55.01871	12.9
57.03434	4.7
61.02920	4.4
68.99786	4.0
69.03431	28.7
71.04991	5.7
73.02921	7.1
79.05439	0.9
81.02963	1.7
81.03419	26.9
81.07059	2.0
82.03776	1.0
83.01318	1.2
85.02905	64.4
85.44318	0.8
87.00829	28.7
88.07574	1.1
91.03949	2.9
91.05478	2.1
93.07030	0.9
94.04186	1.7
95.05004	1.2
95.08618	1.5
97.02895	37.8
99.04463	12.3
103.05462	2.8
105.01862	19.5
105.07014	1.2
107.04948	1.6
107.08581	1.6
108.04484	2.4
109.02878	25.6
109.69688	1.0
111.04438	1.5
115.03931	6.3
115.05443	1.7
116.10729	10.4
117.01849	5.0
119.04878	1.3
119.08595	1.5
121.06500	2.4
122.03654	4.1
124.47861	0.9
125.05930	1.1
127.03918	43.5
129.01843	4.0
131.04929	4.8
134.94678	1.0
135.08026	2.6
137.05977	69.7
138.06323	1.7
143.04916	1.8
145.04971	19.1
145.06152	1.4
145.06544	0.8
146.03647	1.1
147.02844	1.8
147.08049	1.1
149.05978	3.9
151.03889	3.4
151.07573	2.3
153.05453	3.0
157.06441	1.1
159.02885	18.2
161.05983	24.6
162.06714	1.0
163.07555	20.9
165.07042	2.8
167.06992	1.1
175.07542	37.0
177.05464	1.3
179.07072	2.1
179.08459	1.3
185.05882	1.3
188.04649	4.4
189.09183	2.3
191.07019	9.6
193.06465	5.6
194.07294	1.1
197.09621	2.2
203.07030	16.1
205.08603	5.9
207.08052	2.8
209.06216	1.6
209.08107	5.7
210.06718	3.6
211.07471	1.7
213.03813	1.9
213.09161	1.7
215.07036	2.3
217.06456	1.2
217.08562	2.8
219.04939	3.6
219.08206	1.1
221.06023	14.0
221.08026	2.3
222.06485	2.1
223.06033	3.3
224.08258	2.9
225.09094	13.3
226.09676	1.3
227.07126	2.0
230.06544	1.4
231.05006	7.9
233.06157	1.9
233.08087	8.3
234.06737	1.9
235.07516	2.4
235.09637	29.9
237.09184	2.5
238.06241	3.7
239.07051	1.0
239.10733	2.6
245.08061	2.9
248.07770	2.3
249.09131	3.3
251.07137	2.1
252.07893	2.5
253.08591	27.4
254.09085	1.5
255.06544	1.8
261.08945	1.3
263.06772	1.2
263.09210	6.3
265.08606	8.9
266.09109	2.6
267.10117	11.8
269.08041	1.8
270.08795	3.1
273.09097	1.1
275.09232	2.3
277.08539	10.1
278.09116	1.9
279.06699	1.4
279.10046	2.1
280.07135	2.4
281.07971	1.0
282.08951	1.2
283.09622	1.8
284.10422	1.8
285.11206	69.1
286.11563	2.9
287.09042	1.5
289.08420	1.4
291.10098	1.5
294.08804	1.9
295.09641	7.0
297.11185	15.2
299.09216	1.1
299.12814	1.5
301.08386	1.4
303.10226	1.1
306.08932	1.2
307.09564	4.2
309.11218	16.1
311.09280	2.6
312.09692	1.9
315.09970	1.4
317.07831	1.1
318.09033	1.3
319.09631	1.7
321.11111	3.9
321.24191	1.4
323.12750	1.1
325.10791	5.7
327.12253	68.8
328.12631	2.5
329.10297	1.3
330.10147	1.1
333.11462	1.6
335.09244	1.2
337.10776	3.3
339.12320	5.4
341.13889	7.2
345.13330	100.0
346.13791	2.6
347.12537	1.3
349.10672	3.0
351.12259	5.8
355.11685	3.0
357.13345	37.2
358.13663	1.6
363.12311	2.5
367.11652	4.3
369.13303	14.2
375.12219	2.2
381.13275	8.5
387.14304	1.8
393.13266	5.3
399.14117	3.1
403.11627	1.5
407.14825	1.2
411.14404	6.6
417.13327	8.8
435.14447	14.5
451.12589	1.2
453.15512	5.3
471.16412	1.3
521.14325	2.9
539.15521	7.1
557.16608	6.7
575.17615	4.2
635.18768	1.4
640.35150	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	640.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28217	0.6
55.01882	0.6
61.07063	0.6
69.36628	3.1
79.05489	0.7
81.30246	0.6
85.02899	1.4
91.05483	2.1
94.04192	0.8
95.05006	0.8
105.06997	0.8
109.06498	0.7
110.58086	0.6
115.05462	0.6
119.04955	1.7
122.03645	1.9
129.07030	0.6
130.04103	0.9
137.05983	38.6
138.06367	0.7
139.03876	1.3
141.01797	1.0
143.04912	0.8
147.04420	2.2
149.06006	2.0
150.06783	0.7
150.30986	0.6
151.03951	3.3
158.03607	1.4
161.05974	2.9
162.06734	1.9
173.06018	4.0
175.03893	2.4
177.07031	0.7
178.07718	0.7
186.03152	2.8
189.05414	1.0
189.06978	1.4
191.06953	0.7
194.07191	0.8
201.05472	38.2
202.05962	0.9
203.06953	0.9
205.06496	7.1
206.07300	2.7
207.06409	1.0
207.08159	1.0
213.05440	3.6
217.06505	2.7
218.07184	1.2
219.08154	0.8
219.36781	0.7
221.06189	0.8
221.09605	0.9
222.06689	3.8
223.07506	0.8
227.07027	0.7
231.06519	2.5
233.05989	10.9
233.08237	1.2
234.06752	13.0
235.07533	3.1
236.08347	0.7
237.09079	6.1
239.06915	0.8
244.05440	0.7
245.06062	3.4
246.06740	1.3
247.07610	3.2
248.08344	1.4
249.05568	1.7
249.09097	4.2
250.06183	6.4
251.07014	3.3
253.08398	0.7
259.07648	1.3
261.05557	2.9
262.06253	10.9
263.06998	3.4
264.07831	2.5
265.08640	13.6
266.09241	3.0
267.06689	0.8
273.05380	3.7
274.06284	1.8
275.07077	1.4
276.07892	1.1
277.08585	12.9
278.06100	3.2
278.08792	1.0
279.06491	2.4
279.10150	1.2
281.07904	0.9
282.08823	1.5
287.07092	1.7
289.04922	1.0
290.05746	20.2
291.10345	0.8
292.07291	7.8
293.08093	15.7
294.08765	2.5
295.06204	1.4
295.09610	1.7
297.11221	2.4
304.07327	0.8
305.08084	31.8
306.08725	1.4
307.06311	0.9
307.09631	19.4
309.11240	2.2
310.08380	2.2
319.09512	2.2
322.08310	3.7
325.10703	100.0
326.10895	4.1
337.10699	66.0
338.11105	2.2
355.11731	25.7
356.12271	0.9
417.15472	0.9
483.12875	0.8
501.14001	1.4
639.35760	1.3
639.47198	0.9
640.22455	1.4
640.35449	1.6
640.47510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01880	0.5
55.05505	0.8
57.03439	4.5
58.23314	0.4
61.02927	1.9
65.03930	0.4
66.82510	0.3
69.03062	0.6
69.03424	8.5
71.01359	1.0
71.44924	0.4
73.02914	8.9
73.21954	0.4
79.05490	1.5
81.03407	1.4
81.95171	0.4
85.02900	12.1
87.04486	0.4
91.03940	0.5
91.05480	2.3
93.07044	5.0
95.04941	0.9
97.02892	10.3
97.63712	0.4
99.04446	0.6
103.03942	0.7
103.05444	0.4
105.07055	2.0
107.04952	15.3
107.08572	1.6
108.05340	0.3
109.02866	1.1
109.06528	0.7
115.03926	5.7
119.04922	0.4
119.08595	0.4
121.06509	6.8
121.10146	6.7
123.04448	0.7
127.03912	3.4
127.91990	0.3
131.04884	0.4
131.08554	2.5
133.04964	1.6
133.06500	1.8
134.07289	1.4
135.08051	0.7
137.05905	0.6
139.03925	2.0
139.04828	0.4
145.04967	4.0
145.06453	2.9
147.08060	2.4
149.05986	1.5
149.09612	100.0
150.07619	0.6
150.09941	2.8
151.03851	0.5
151.11198	0.8
153.05458	0.5
155.03470	0.4
159.08008	0.4
161.05991	2.6
161.09651	1.0
163.06012	1.4
163.07500	1.0
163.11174	5.8
165.05399	0.5
173.09599	0.9
175.07585	0.7
175.11195	0.6
177.09119	0.5
184.84946	0.4
185.05991	0.4
185.09598	0.5
187.11203	1.9
189.09122	2.4
189.12790	0.8
191.10645	4.0
203.06969	0.9
203.10628	3.8
207.10185	0.6
211.30904	0.4
215.10681	2.1
217.12247	1.2
221.08049	0.7
221.11725	0.8
223.06065	0.9
229.12190	0.5
231.10081	0.5
233.11743	1.6
241.07082	1.1
245.11684	5.5
249.11221	0.6
257.11676	0.5
259.08096	0.6
263.12784	14.0
264.13052	0.6
267.12259	1.2
275.12796	3.7
281.13837	3.6
293.13797	4.1
295.10190	1.2
299.14816	1.1
311.14865	20.8
317.06592	0.5
325.11450	0.8
393.84485	0.4
525.58081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22693	0.3
53.03945	0.4
55.01855	1.0
55.05500	1.7
57.03429	1.0
57.46745	0.4
61.02912	0.6
67.05502	3.5
68.99773	0.5
69.03425	2.7
69.07053	1.0
71.04978	0.9
73.02911	0.7
77.54952	0.4
79.05478	1.6
81.03413	0.8
81.07056	2.2
83.04949	0.7
83.08604	0.9
85.02901	9.4
91.05479	1.3
93.07028	1.6
95.04937	0.8
95.08601	2.9
97.02890	3.1
97.10152	0.8
103.03922	0.4
105.07013	1.4
107.04940	0.8
107.08567	1.0
109.02851	0.9
109.06506	0.8
109.10144	2.3
111.04429	6.1
115.05420	0.6
119.04929	1.5
119.08572	1.8
121.06513	0.9
121.10148	0.6
123.04425	7.5
127.03910	4.2
129.06990	1.2
131.08559	0.6
133.06468	2.8
133.10132	0.8
133.40329	0.4
134.81604	0.4
135.04446	0.4
137.06007	2.1
137.09549	0.7
139.03893	47.3
140.04199	0.6
145.04958	3.3
147.04402	5.1
147.08034	1.7
147.11668	0.6
149.05978	2.5
151.03908	2.1
151.07503	0.8
153.05457	3.8
155.03375	7.1
157.10098	0.8
159.08130	0.7
161.05992	7.1
161.13231	0.6
163.03906	6.5
163.05228	0.4
163.05951	1.1
163.07536	1.8
165.01851	0.7
165.05479	13.2
167.03358	0.8
167.07048	0.9
171.08052	0.6
171.11690	1.7
175.03859	0.9
175.07553	2.7
177.05473	2.2
179.03426	2.4
179.07030	9.6
181.04987	0.6
189.05466	1.3
189.09108	2.2
189.12706	3.9
193.08591	0.8
199.11171	2.9
201.09100	0.6
203.06964	0.9
203.10706	0.7
205.04927	2.4
207.06596	0.6
207.13828	2.3
217.12225	13.9
219.10043	0.9
219.13808	0.7
221.04451	1.2
227.10672	1.7
229.04945	0.7
235.13266	4.2
245.07957	0.5
245.11655	4.0
246.11963	0.5
259.13477	0.5
263.09961	0.7
263.12766	14.2
264.13281	0.8
281.13815	100.0
282.14124	3.7
283.13199	0.6
299.05908	0.8
299.14890	8.8
300.15240	0.5
301.14133	0.6
305.13779	3.1
323.14688	1.1
329.13818	2.1
333.05975	1.3
336.68124	0.4
343.15515	0.6
347.14853	5.0
353.13882	1.1
365.15948	4.3
371.14853	2.2
389.15912	3.2
407.17139	1.4
416.20615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59475	12.7
58.92318	13.0
62.75618	12.7
69.17575	80.8
98.23301	47.6
137.05957	33.2
153.05423	18.9
153.10130	12.6
157.25677	13.3
163.07353	12.2
167.07036	25.6
169.04839	11.9
183.06516	38.0
190.33606	13.2
197.08029	44.6
198.08534	17.3
199.05902	13.6
211.09724	17.2
213.07616	30.0
227.09178	36.8
228.09647	14.3
338.50015	14.0
353.91837	13.0
472.43430	12.8
640.31775	100.0
641.33044	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	640.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82180	0.9
53.65695	0.9
63.96883	1.0
65.03938	1.3
67.05493	2.8
69.11445	5.4
74.49153	0.8
76.23174	1.0
79.05516	5.1
79.05886	0.9
79.92735	0.9
81.07082	4.3
91.05487	3.0
93.07064	2.1
94.04160	0.7
95.04974	5.0
95.08576	2.0
95.46981	0.8
96.05772	1.3
98.26744	0.8
105.03423	1.4
105.04446	1.2
105.06992	1.8
106.04266	1.0
107.04955	3.1
108.05711	1.2
109.05896	0.9
109.06535	7.1
111.04408	0.9
111.08048	1.1
121.06512	3.6
121.10192	1.1
122.03607	1.1
123.04401	4.3
123.08047	1.7
124.05225	3.4
125.05964	4.3
127.03843	1.0
128.26625	0.9
133.06490	1.0
135.04427	5.0
136.05202	3.0
137.05972	7.1
138.06746	1.9
139.03882	4.6
139.07538	14.9
140.04663	2.6
141.05457	1.5
142.02623	1.3
148.52119	0.9
149.06038	1.3
149.09671	1.1
151.03873	2.0
151.07463	5.3
152.04643	3.4
153.05464	13.2
153.09100	2.6
154.06285	6.3
155.03369	1.5
155.07062	5.1
157.04956	2.5
163.07518	1.3
165.05472	1.6
165.09216	2.2
166.06270	1.5
167.03394	2.9
167.07034	17.1
168.04341	1.8
168.07733	2.0
169.04965	6.8
169.08607	4.7
170.05768	2.7
171.06500	1.5
177.05432	1.0
177.09085	1.8
179.07178	1.6
179.10674	1.4
181.08618	12.9
182.05740	7.3
182.09399	1.2
183.06526	18.6
183.10173	2.0
184.07269	3.3
185.04443	16.0
185.08000	4.4
191.10709	1.1
193.08641	1.9
193.96471	0.9
195.10165	8.2
196.07260	3.0
197.04475	16.0
197.08086	80.8
198.05112	1.2
198.08748	4.9
199.06026	3.1
199.09659	7.3
200.06778	17.0
205.08571	1.2
207.10167	1.8
209.07901	1.0
211.09647	17.9
212.06836	11.9
213.07570	14.1
213.11179	1.3
214.08377	1.5
215.09151	9.4
223.09666	2.7
227.09135	100.0
228.09581	3.0
237.11295	2.9
241.10744	2.6
282.08994	1.0
345.24109	2.3
361.23279	1.1
375.25162	1.5
377.27039	7.3
407.27795	0.9
449.62729	1.1
495.27853	1.5
499.30270	3.5
527.30286	6.1
528.30859	1.1
530.90442	1.1
531.32855	3.8
559.32611	11.8
560.33118	1.2
563.35901	7.5
591.35272	16.3
592.35596	1.1
623.37830	57.6
624.38092	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	640.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11203	3.3
54.77693	3.4
55.01874	4.6
59.10326	3.4
65.03940	3.6
67.05524	9.9
79.05486	9.8
80.99693	4.0
81.07051	8.9
90.88709	3.7
91.05480	8.7
93.07040	6.2
95.04955	8.0
95.08589	7.9
101.00886	3.4
106.82737	3.3
107.04984	6.3
109.06542	8.2
119.04961	4.0
121.06504	12.2
123.04431	9.7
124.05206	5.3
125.06001	12.7
126.03175	3.8
137.05969	43.1
139.07520	11.2
140.04671	11.6
151.07594	11.8
153.05464	31.7
154.06166	3.6
155.03357	6.7
155.07056	12.6
156.04181	8.0
163.07533	7.0
165.09218	3.6
167.07036	90.8
168.04240	12.4
169.04979	35.5
170.05780	10.1
171.02917	10.9
171.06578	4.3
177.05510	8.4
179.07002	5.1
181.08620	16.7
183.02904	10.8
183.06532	100.0
184.03728	3.9
184.07001	5.7
186.05272	13.1
191.07115	4.8
193.08678	9.1
195.06465	4.4
197.08093	14.7
198.05162	7.8
199.05933	21.9
209.08130	17.3
213.07578	53.2
213.09384	5.9
223.09537	4.8
391.28613	4.1
419.60333	4.2
495.27374	4.5
499.30634	5.7
527.29913	15.5
541.31482	8.7
559.32782	25.2
565.19226	5.2
573.34497	4.8
591.34888	13.7
640.35345	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	641.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05513	0.2
60.68092	0.2
65.03935	1.3
67.01868	0.3
67.05502	0.7
68.99776	1.7
69.03429	0.7
71.01323	0.2
79.05476	0.3
81.03446	0.2
81.07109	0.2
83.04981	0.9
85.02906	0.3
91.05511	0.2
93.03403	0.8
93.07067	0.3
95.04963	1.0
97.02903	0.7
105.07008	0.2
107.04955	0.9
109.02860	0.2
111.00813	0.3
111.04441	4.3
111.05170	0.3
119.04961	0.4
121.02859	1.0
123.04423	6.0
127.03899	0.5
131.04895	1.3
133.02853	0.2
135.04410	0.6
137.05949	0.5
137.39088	0.2
139.03893	100.0
140.04211	2.1
143.04890	0.3
145.06424	0.3
147.04378	1.5
149.02365	0.3
149.06000	0.4
151.03900	7.7
153.01877	0.4
153.05449	1.2
159.04417	1.3
161.03583	0.3
161.05960	0.6
163.03896	35.5
164.04201	0.8
165.01788	0.3
165.05489	2.3
167.03419	0.6
169.05032	0.3
169.06401	0.3
171.04417	0.6
173.06017	0.5
175.03854	1.8
176.04669	0.8
177.05464	7.1
178.05826	0.3
179.03358	1.3
179.07072	0.2
181.04955	5.4
181.06381	0.2
182.05232	0.2
183.04311	0.3
185.05989	0.4
186.03104	0.2
187.03889	1.6
187.21849	0.2
188.04422	0.2
189.05469	2.2
191.03392	0.8
191.07076	0.3
193.04996	1.0
197.05957	0.2
199.03902	0.9
201.05518	0.9
203.03349	1.8
203.06938	0.2
205.04955	9.5
206.05334	0.3
211.03951	0.3
213.05490	0.7
215.03404	1.1
215.07130	0.2
216.04004	0.4
217.04968	2.4
219.02959	0.2
219.06464	0.5
221.04459	0.4
225.05373	0.2
227.03418	0.7
227.06981	0.4
229.04950	1.7
231.02936	0.3
231.06505	0.3
233.04428	4.5
237.05565	0.4
241.04962	0.9
242.05757	0.2
243.02924	0.7
243.06462	0.3
245.04510	1.2
247.05858	0.3
251.07077	0.2
253.05075	0.5
255.02811	0.3
255.06464	0.2
257.04440	1.3
259.05942	0.3
261.03821	1.6
269.04309	0.5
271.05957	0.5
273.03912	0.6
275.05331	1.1
279.06454	0.4
281.04504	0.4
283.05920	0.5
285.03897	0.4
287.05502	0.4
291.05042	0.7
293.06516	5.4
295.05981	0.4
297.04184	0.3
297.07516	0.4
299.05466	0.6
301.07053	0.3
305.06506	1.0
307.05923	0.5
311.05402	0.5
312.06210	0.4
313.06949	0.7
317.06531	0.6
319.06281	0.3
321.07471	0.4
324.06232	0.3
325.07080	2.6
335.05157	0.3
337.06970	0.4
339.08478	0.6
343.08127	3.1
349.07089	0.3
353.06381	1.0
355.08051	0.8
365.06387	0.6
367.08032	0.8
377.06329	0.3
381.06024	0.5
383.07513	0.6
389.06573	0.2
391.08447	0.3
393.06116	0.2
395.07761	0.9
405.05911	0.4
407.07526	0.6
411.06927	0.5
413.08655	21.2
414.08939	1.0
423.06921	0.9
425.08566	0.4
427.10220	0.3
435.07025	0.4
437.08444	0.4
441.08142	1.7
443.09674	2.6
444.09854	0.4
453.08157	0.3
455.09750	2.2
465.07953	0.3
467.09586	0.7
473.10785	4.0
479.09668	0.3
485.10657	2.5
487.12454	1.0
503.11835	1.0
515.11926	0.4
545.10315	0.4
555.08813	0.3
555.29065	0.2
573.09985	0.3
605.12537	0.5
623.14130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2975
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
55.01871	2.4
55.05510	2.5
55.37569	1.1
64.27122	1.0
67.05510	4.6
69.07069	2.8
69.19284	5.7
79.05491	3.2
81.07066	5.2
83.08601	1.3
91.05484	5.1
93.07048	4.3
95.04971	2.6
95.08628	3.2
97.06523	3.4
105.07036	4.5
107.08583	1.9
109.10147	1.1
119.08600	2.6
121.06527	1.6
131.08563	2.2
133.10130	3.6
145.10152	1.3
147.11693	2.5
179.14371	1.3
198.97260	1.1
202.19952	1.2
207.09151	1.5
211.12424	1.9
223.12265	1.9
225.13837	2.4
227.04001	1.2
227.11784	1.6
235.12309	1.8
237.13962	1.8
238.14749	1.3
239.11806	1.6
239.15479	3.8
245.27322	1.0
249.13913	1.5
275.20047	7.4
276.15012	1.1
277.21536	1.2
290.16626	1.8
305.18942	1.8
313.15427	2.6
316.14548	1.5
319.16830	1.4
329.15875	1.4
330.16290	1.4
332.17496	3.0
349.23715	3.2
384.17111	2.5
386.18002	1.1
392.19733	2.6
393.20676	2.5
403.19147	1.4
405.20850	1.5
406.21194	3.8
407.22046	6.9
408.23444	1.5
412.16614	2.3
415.18491	1.1
416.19949	1.2
417.21222	1.7
418.21756	1.4
419.22278	3.5
420.22910	3.7
421.23761	6.1
422.24332	8.5
425.51437	1.1
426.18100	1.5
431.18494	1.6
434.24496	6.1
444.19135	5.0
445.24448	1.4
458.20206	1.4
459.21429	1.5
460.22531	2.1
461.19412	1.6
461.23581	1.1
462.20200	2.0
463.21085	11.4
473.23431	1.3
475.21588	1.9
476.21133	1.9
477.23141	5.4
478.22873	1.5
485.23611	1.8
487.25134	2.6
489.22726	2.0
491.24771	1.4
494.26639	3.1
495.27609	2.1
508.22327	1.3
517.22125	1.3
523.27026	1.9
545.25531	6.9
547.27423	8.4
549.24884	17.4
550.25745	2.7
563.26636	7.0
565.27899	1.5
579.29669	2.6
581.27417	2.7
591.26062	40.0
592.26135	3.5
595.29089	1.2
605.28137	5.4
609.27020	17.6
623.28638	100.0
624.28680	6.4
641.29517	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.01855	0.6
55.05504	0.7
55.67322	0.6
60.26048	0.5
67.05504	2.1
67.09696	0.6
69.03443	0.6
74.68882	0.5
79.05507	1.0
81.07070	1.7
83.65865	0.6
86.18963	0.5
91.05495	1.1
91.27882	0.6
93.07082	1.7
94.70326	0.6
98.23470	2.3
109.10130	0.6
121.10155	0.7
182.70891	0.6
195.09172	0.7
197.10834	0.9
205.03314	0.5
208.11351	0.7
210.60907	0.6
211.12360	1.7
223.12239	0.8
224.13174	0.9
225.13945	2.2
227.11838	1.7
229.04617	0.6
237.13809	1.0
238.14758	0.8
239.11839	1.3
239.15495	1.6
247.12292	0.7
251.15538	0.8
260.71051	0.7
269.20413	0.7
290.12704	0.7
300.15302	0.7
304.14438	1.3
307.11090	1.1
313.15640	1.6
314.13187	0.7
318.16101	1.0
329.14987	0.7
330.16174	1.1
332.17761	1.3
333.18188	0.7
345.18631	0.7
346.19196	0.9
374.18579	0.7
375.19519	0.9
379.19046	0.9
384.17105	1.9
389.17679	1.0
391.19046	1.4
392.19882	1.7
393.20709	1.3
401.17599	0.8
403.19299	2.2
404.20154	2.1
405.20935	1.4
406.21133	3.5
407.22159	4.1
412.16672	1.5
413.17615	1.0
415.19345	2.2
416.19785	2.0
417.20911	3.6
418.21564	2.3
419.22321	2.2
420.23007	2.3
421.23862	3.7
422.24390	4.4
426.18130	0.8
427.19455	1.0
429.21127	1.5
430.21606	2.0
431.22162	2.5
432.23538	1.0
433.24271	5.3
434.24496	6.9
435.21646	0.9
444.19293	3.0
444.24179	1.2
445.19315	1.1
445.24136	2.9
446.24893	1.0
447.25717	1.7
459.21103	3.7
460.22513	2.5
462.20807	3.7
463.21283	2.9
472.22781	1.8
473.23392	3.4
474.24161	2.5
475.21042	4.4
476.21878	1.4
477.22845	11.6
478.23315	1.2
485.23315	1.3
487.25082	3.9
489.22784	2.0
490.23679	0.9
491.24515	3.6
495.16580	1.1
505.26013	2.6
506.26999	2.2
515.24243	2.3
517.25989	0.8
518.23743	0.7
519.27563	2.5
520.28857	0.7
532.24579	1.2
535.23621	2.2
545.25488	7.7
546.25867	1.6
547.27106	13.4
548.26428	0.8
549.24927	9.7
550.25641	14.2
550.33636	1.2
551.26038	1.6
563.26337	2.6
564.27155	3.4
566.24274	0.8
577.27771	1.1
579.29706	5.1
581.27588	0.8
583.76819	0.7
591.26129	10.7
592.26697	0.9
605.27515	15.7
606.27710	1.5
609.27161	11.2
623.28601	100.0
624.28888	8.5
626.26990	1.1
641.29248	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	641.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
56.30165	1.7
61.02938	3.5
67.05511	4.6
69.03434	2.9
71.44707	2.8
74.07697	2.2
79.05523	2.3
81.03411	3.7
81.07043	2.7
85.02924	3.7
91.03960	3.1
91.05488	2.2
97.02879	2.5
99.04465	2.5
109.10206	4.9
119.08604	4.1
148.47128	2.5
173.11761	2.3
413.17957	7.9
469.20557	5.3
516.18134	2.2
536.98828	2.3
641.31415	100.0
649.88739	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	641.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47475	1.4
70.56388	1.9
95.88634	1.4
111.33637	1.3
199.45041	1.3
350.86435	1.4
360.70026	1.3
440.69885	1.5
472.63962	1.3
611.28149	4.0
624.54724	1.5
626.30658	3.9
641.32904	100.0
642.33624	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	641.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39272	0.2
66.45176	0.2
69.09504	1.2
89.88987	0.2
98.23468	0.3
119.47601	0.2
151.42511	0.2
393.85492	0.2
586.44946	0.2
636.71191	0.2
641.36578	100.0
642.36957	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3892
Annotation	Cilistol j
Peak:m/z	Relative Intensity
52.82767	1.0
53.03933	1.2
55.05514	5.5
57.03423	2.1
61.02911	3.1
61.42910	1.1
65.03943	1.1
67.05506	7.8
69.03424	6.4
69.07062	12.2
71.04983	1.7
79.05491	2.8
81.03418	3.1
81.07050	15.8
83.08623	4.1
85.02905	15.8
87.04485	1.5
91.05492	1.7
93.07052	1.7
95.08605	14.0
97.02901	6.9
97.10185	1.3
99.00816	5.4
99.04440	2.8
100.93578	1.1
104.86491	1.3
109.02847	2.5
109.10143	6.8
113.02390	1.7
115.05392	1.4
121.06458	1.0
123.11702	2.8
125.06038	1.1
127.03931	2.2
135.04407	1.9
135.11646	1.2
139.07507	1.2
145.06523	2.5
149.06055	1.0
153.05490	2.8
163.03909	1.4
167.07117	7.0
171.06738	1.1
171.08121	2.0
173.05992	1.6
175.07559	3.1
177.05464	4.0
177.09085	1.5
181.04955	25.0
183.06548	4.6
188.34387	1.2
189.09081	10.7
195.06519	25.5
200.45354	1.1
203.10643	3.1
205.08649	1.5
207.06538	1.8
209.08095	13.5
223.09679	15.9
223.41913	1.1
231.13667	1.3
233.08131	1.3
235.09692	3.0
237.11189	19.0
249.11215	11.7
251.12723	5.4
263.12793	3.7
265.14441	2.8
277.14108	1.4
291.15839	1.9
293.17487	1.7
305.17548	1.5
307.19058	4.4
319.18939	3.0
324.99643	1.0
333.20612	1.3
335.86050	1.1
358.47479	1.5
385.12970	2.5
443.31302	5.3
461.32602	100.0
462.32886	5.4
479.33676	68.7
480.33691	3.0
623.37408	4.3
641.22589	6.3
641.39111	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	642.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57187	0.4
53.03938	0.4
54.50999	0.3
55.01851	0.7
55.87623	0.3
57.03400	1.2
69.03397	0.6
69.46770	1.0
69.47165	0.7
71.01337	0.6
71.04940	0.4
73.02891	1.0
79.05461	0.7
81.07016	0.9
85.02912	3.4
91.05437	1.2
92.99922	0.4
93.07018	0.4
94.04166	0.6
95.01332	2.9
95.04935	1.0
97.02824	0.5
99.00790	0.5
103.05450	0.4
107.04928	0.8
109.06444	0.5
113.02320	1.4
117.05453	1.2
121.06454	1.5
122.03644	0.6
123.04397	0.6
131.03319	0.5
134.03622	0.4
135.04414	13.2
135.07977	0.7
137.05981	19.1
138.06197	0.4
141.01837	4.4
143.04924	1.9
146.03592	0.5
149.01068	0.4
149.05983	2.4
151.03850	1.1
151.07497	1.5
153.05452	1.0
159.02931	0.4
161.05975	13.3
163.07513	1.7
165.06975	3.2
167.07162	0.4
167.08496	0.5
175.07564	4.2
175.08939	0.6
177.05429	1.0
177.06982	0.4
179.06992	1.9
179.08522	1.6
181.04929	0.7
182.07262	0.8
187.07642	0.4
188.04681	7.4
189.05371	0.5
189.06947	0.4
191.05803	0.3
191.07062	3.5
193.04906	0.6
193.06500	6.6
193.08261	0.3
194.07324	0.5
195.08037	0.5
197.09604	1.4
203.07030	29.5
204.07324	0.9
205.06715	0.8
205.08583	4.6
207.08035	2.1
208.08960	0.4
209.09811	0.4
210.06717	4.4
211.07448	0.8
215.06985	0.9
216.57281	0.4
217.06485	0.5
221.05971	16.7
221.09412	0.7
222.06644	1.3
224.08224	3.0
225.09099	15.5
226.09578	0.6
227.07094	1.2
233.08012	0.7
234.06650	1.2
235.07480	2.3
237.05507	0.6
237.09171	0.9
238.06200	3.0
239.06894	0.6
239.10690	1.9
242.09442	0.5
245.05952	0.5
249.09082	3.4
251.07008	1.4
252.07773	3.6
253.08591	24.6
254.09047	1.6
255.06509	1.6
257.11646	0.7
262.06250	0.8
263.06934	0.8
265.08597	2.7
266.09286	1.2
267.10153	14.2
268.10605	0.6
269.08102	0.6
270.08777	1.8
277.08383	7.9
277.10886	1.6
278.09421	1.2
279.06714	0.9
279.10089	0.9
280.07449	2.4
281.11707	0.9
283.15350	0.7
285.11200	42.7
286.11472	1.4
291.10269	0.5
294.08914	3.8
295.09167	8.6
295.12073	2.9
297.07916	0.8
297.11200	6.4
299.09531	0.6
299.12793	1.5
307.09613	1.4
309.11197	17.3
311.09207	0.4
311.12674	0.6
312.09778	1.8
321.11023	0.6
327.12250	100.0
328.12561	3.4
329.13824	4.6
331.09607	0.5
339.12256	5.1
345.13351	0.5
351.12299	1.4
363.12271	1.1
381.13455	0.5
401.15961	9.7
405.13458	0.6
413.15842	0.6
417.15512	0.5
419.16998	57.1
420.17462	2.3
427.19705	1.2
431.11472	0.9
431.16925	6.2
443.16943	0.5
445.20361	0.6
463.12402	0.8
497.17944	0.6
523.16022	0.6
541.17133	0.8
559.17889	1.2
577.19214	1.7
606.91907	0.4
622.33087	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	642.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01860	7.6
57.03427	5.4
61.02912	3.9
61.54930	1.7
67.05476	2.0
69.03425	37.6
71.04991	3.7
72.24745	1.5
73.02902	6.5
75.59488	1.7
79.56551	1.6
81.03410	25.9
85.02902	100.0
87.00824	44.2
91.03945	3.0
91.76105	1.8
97.02891	45.3
99.04453	14.1
105.01863	86.8
109.02876	37.0
117.01817	3.0
127.03909	81.3
129.01788	4.0
129.54459	1.7
145.04953	34.7
147.02853	3.2
149.63298	1.7
155.08522	5.6
156.09369	14.3
159.02855	12.6
167.07028	6.1
167.08513	2.6
169.10135	21.8
179.53583	1.8
181.04950	2.2
182.10869	5.4
189.03934	2.7
197.13245	76.9
213.03960	12.8
223.05833	2.2
231.04973	34.1
249.05998	17.7
284.09125	2.4
357.08069	2.1
388.16684	2.0
393.10303	2.9
417.15466	3.3
642.29095	2.3
642.45636	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	642.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03946	0.6
54.74623	0.5
55.01863	0.6
55.05517	5.4
55.05759	0.9
56.67352	0.5
57.03431	1.0
61.02916	1.9
65.03954	0.7
67.05502	14.0
67.19811	0.5
69.03413	0.9
69.07059	4.9
71.04983	0.7
73.02930	0.7
79.05493	10.6
80.11073	0.5
81.03411	0.7
81.06565	0.7
81.07056	12.4
83.04958	1.1
83.08617	2.7
85.02892	3.0
85.06546	1.0
91.03925	1.0
91.04939	1.1
91.05480	14.9
93.06460	0.6
93.07044	10.8
95.04964	1.4
95.08599	8.7
97.02903	0.9
97.06537	1.2
97.10164	1.4
98.00481	0.6
103.05497	0.6
103.91584	0.5
105.07030	15.4
107.04954	1.1
107.08582	5.7
109.06504	2.1
109.10153	3.6
111.08091	1.1
111.40994	0.5
115.05466	1.0
117.07021	7.9
119.08587	11.7
121.06535	1.4
121.10163	4.4
123.08092	0.9
124.15138	0.5
125.09588	0.5
129.06984	5.6
131.08560	14.6
133.06514	0.9
133.10129	6.9
135.08067	1.3
135.11714	2.5
137.09645	1.0
141.07018	1.8
143.08549	6.5
145.06462	1.0
145.10115	8.8
147.08070	1.0
147.11690	2.3
149.09673	1.0
151.11301	0.6
155.08566	2.5
157.10147	3.5
159.08080	0.6
159.11684	3.7
161.09628	1.0
161.13237	1.3
167.08534	0.6
169.10127	3.1
171.11656	3.4
173.09671	0.5
173.13290	2.0
175.11195	0.8
175.14917	0.6
181.10141	1.9
183.11665	1.8
185.09790	0.6
185.13272	2.1
187.14818	1.0
195.11729	1.7
197.13316	1.6
199.14880	0.9
201.16399	1.1
209.13263	1.3
211.14763	1.2
213.12814	0.9
213.16402	0.7
215.14401	0.6
223.14819	1.5
225.16486	1.3
227.14386	0.7
233.15465	0.8
237.16365	0.6
241.15990	0.6
245.15375	0.7
247.16951	1.3
273.18680	0.9
325.25406	1.1
330.19724	0.5
335.23822	1.4
343.26263	2.3
353.24774	4.5
371.25873	4.4
374.17596	0.5
389.26855	5.1
415.59650	0.6
427.28391	0.9
444.50391	0.5
445.29480	100.0
446.29880	8.8
463.30521	24.0
463.37238	0.8
464.30911	2.0
555.36963	0.5
642.36554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.0
57.03447	1.8
61.02927	2.7
65.03949	1.1
65.56206	1.1
67.05498	17.2
69.07064	4.8
74.63374	1.0
79.05489	13.6
81.03429	0.9
81.07058	13.6
83.08629	2.5
85.02914	1.4
85.06538	1.1
91.03904	1.9
91.05480	17.4
92.71459	1.0
93.07046	13.8
95.04961	2.6
95.08604	10.0
97.06538	1.7
103.05449	1.1
105.07035	15.7
107.04998	2.7
107.08578	6.9
109.06476	2.9
109.10169	4.2
117.07025	8.3
119.08578	12.2
121.06514	2.1
121.10178	6.0
127.11282	1.0
129.06993	6.6
131.08551	14.8
133.06462	1.3
133.10126	8.4
135.07994	1.4
135.11777	1.6
141.07016	1.5
141.09358	1.0
143.08568	9.1
145.06497	1.8
145.10126	8.5
147.08018	2.7
147.11691	1.7
149.09697	1.1
155.08568	4.7
157.10164	5.7
159.11717	4.2
163.11186	1.3
167.08543	1.4
169.10130	2.8
171.11731	4.7
173.13354	1.3
181.10063	1.6
183.11693	2.6
185.13330	1.5
187.14871	1.4
195.11690	2.4
197.13315	2.2
199.14816	1.2
211.14893	1.0
211.34163	1.1
223.14854	1.4
227.17711	1.1
241.15887	1.2
307.24295	1.3
325.25226	2.6
343.26297	2.3
353.24744	4.5
355.78525	1.1
371.25858	5.7
389.26752	6.9
445.29486	100.0
446.29950	5.1
463.30527	42.0
464.30621	2.6
581.32153	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41159	8.1
79.05486	1.8
88.71043	1.9
98.22736	4.2
109.10136	2.1
149.06000	2.2
187.45027	2.0
286.99081	6.9
410.13855	5.0
411.14575	7.0
412.14725	2.4
425.16211	11.6
426.16718	7.0
427.17331	3.7
438.13132	2.7
439.13278	11.1
440.18506	5.7
441.19339	30.0
442.19531	4.5
452.14532	4.4
453.15396	14.5
454.16342	4.5
467.17014	24.1
468.17581	17.5
469.18652	15.7
481.14896	12.5
482.15457	3.9
495.16785	5.4
496.17065	25.3
497.17624	5.8
510.18661	2.5
523.20099	2.8
527.23181	2.6
545.38062	2.7
555.22473	21.0
556.22540	2.8
583.21893	100.0
584.22223	13.3
615.24371	9.9
643.23718	94.4
643.35608	7.9
644.24036	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	643.253
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25597	3.4
222.35378	3.3
233.99713	3.4
273.45438	3.6
287.70248	4.0
545.38232	7.7
554.87305	3.4
643.25177	100.0
643.35291	7.3
644.25226	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	643.3452
Annotation	12beta-acetoxyhuratoxin
Peak:m/z	Relative Intensity
50.62865	0.7
61.20759	0.7
64.73958	0.8
69.18857	4.2
69.68916	0.9
76.57790	0.7
76.61784	0.9
99.26050	0.8
308.94299	0.8
345.92447	0.8
368.69193	0.8
379.75986	0.8
483.56149	0.9
509.19260	0.8
583.24994	1.2
613.29755	4.0
628.32422	1.9
643.34503	100.0
644.34735	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	643.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
57.91885	1.9
61.26883	1.8
66.79771	1.9
67.05495	9.1
73.92841	1.8
74.73670	1.9
79.05500	5.2
81.03430	2.3
81.07050	8.4
85.02909	1.8
91.05473	4.6
93.07054	4.1
95.08632	3.3
105.07018	4.2
107.08603	2.6
109.10176	4.0
119.08607	2.4
135.00336	2.0
143.08357	1.8
155.03500	2.4
164.78337	1.8
215.11270	2.7
260.52750	2.1
265.37183	1.9
326.83676	2.1
333.20346	100.0
351.20215	4.5
463.30423	3.8
643.32434	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	644.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36698	0.3
53.03932	0.9
55.01865	0.9
55.05260	0.4
55.05507	3.9
57.03433	4.2
61.02924	5.3
62.41005	0.3
65.03922	0.6
67.05499	5.6
69.03421	2.4
69.07069	2.2
70.63015	0.5
71.04979	1.3
72.22842	0.3
73.02906	1.8
76.01305	0.3
79.05483	6.1
79.87253	0.3
81.03414	26.4
81.07053	7.1
83.04976	4.6
83.08617	9.1
85.02899	15.1
85.06535	0.4
86.83455	0.3
87.04446	0.4
91.03953	5.4
91.05477	9.1
93.07043	5.0
94.32255	0.4
95.04963	9.9
95.08595	2.7
97.02893	5.0
97.06516	1.0
97.10179	1.6
99.04465	0.6
100.94932	0.3
105.07022	6.4
107.04943	1.9
107.08604	1.7
109.02865	0.6
109.06507	1.5
109.10136	0.9
111.04445	0.7
111.08064	4.6
113.06012	0.9
115.05418	0.5
117.06988	0.4
119.08572	6.5
120.29530	0.3
121.06529	0.6
121.10128	3.4
123.08076	1.2
123.11699	0.7
127.03909	2.0
129.07021	3.7
131.08546	3.8
133.06465	1.1
133.10107	4.2
137.02335	11.7
137.03340	0.4
137.09621	0.8
139.03828	0.4
142.07771	0.7
144.93385	0.4
145.04974	2.3
145.10129	0.9
147.08043	1.4
147.11682	7.4
149.09622	2.3
156.61662	0.4
157.10106	5.6
163.06018	3.1
163.11075	0.6
165.05577	0.4
165.12737	1.2
166.51817	0.3
167.06950	0.5
175.03815	0.3
175.11162	6.3
177.01736	0.6
181.04932	0.5
193.12230	20.7
194.12587	0.5
209.04459	5.4
210.04964	0.4
211.13277	17.5
251.05504	0.5
263.05350	0.5
267.15884	6.7
275.05414	0.8
279.39444	0.3
283.20877	0.4
285.16943	100.0
286.17307	3.4
293.06635	0.8
308.64346	0.4
393.19095	0.6
411.20352	0.5
429.21146	2.6
447.22278	3.4
465.10464	0.7
644.25378	0.4
645.16144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01867	0.8
55.05259	0.4
55.05505	4.2
57.03440	4.4
61.02640	0.5
61.02928	6.8
65.03941	0.7
67.05162	0.4
67.05506	6.1
67.05859	0.5
69.03434	2.5
69.07076	2.1
71.04994	1.4
71.42627	0.4
73.02914	2.4
73.06540	0.4
79.05494	6.9
81.03419	30.3
81.07056	8.3
82.03743	0.4
82.36129	0.3
83.04981	6.2
83.08620	10.7
84.14101	0.3
85.02903	13.7
85.06550	0.9
91.03959	7.1
91.04942	0.5
91.05482	9.0
91.72939	0.3
93.07052	4.4
95.04972	11.6
95.08606	2.6
97.02892	5.6
97.06520	1.0
97.10180	1.5
99.04420	0.6
99.08091	0.4
103.03940	0.3
105.07029	5.7
107.04940	2.1
107.08595	2.3
109.06510	1.5
109.10133	0.9
111.04453	1.5
111.08081	5.6
112.08415	0.3
113.05999	1.1
115.05433	0.6
117.07000	0.5
117.29848	0.3
119.04942	0.5
119.07759	0.3
119.08586	6.0
121.06497	0.5
121.10156	2.8
123.08086	0.9
123.11678	0.7
125.09615	0.6
127.03906	2.6
128.40308	0.3
129.07027	4.0
131.08568	4.3
133.06490	1.3
133.10129	4.3
137.05998	0.7
137.09607	0.4
139.03874	0.5
142.07796	1.0
145.04968	2.5
145.10167	0.5
147.08049	1.6
147.11694	6.9
149.09607	2.3
151.07599	0.3
151.83601	0.3
157.10123	7.0
158.10503	0.3
161.05943	0.5
163.06021	4.0
165.05486	0.4
165.12720	1.7
171.24321	0.3
175.11189	7.9
189.09055	0.4
191.06967	0.5
193.12244	31.1
194.12581	1.1
207.10191	0.4
211.13293	26.4
212.13609	0.8
219.10182	0.7
220.10565	0.4
223.18071	0.3
229.14360	1.2
249.14735	0.3
250.73997	0.3
255.11208	0.3
267.15912	13.5
285.16962	100.0
286.17328	2.7
303.18073	1.1
330.10635	0.4
331.15442	0.4
411.20084	0.4
429.21204	2.6
447.22348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.361
Annotation	Antibiotic BU 3292TA
Peak:m/z	Relative Intensity
61.54576	1.6
69.17922	2.0
69.18321	7.6
74.52755	1.4
98.23429	3.4
130.96246	1.4
139.42474	1.7
338.87064	1.5
463.92181	1.6
507.07394	1.7
585.26648	4.0
615.31372	6.9
630.33472	2.3
645.36035	100.0
646.36340	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	646.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19770	0.4
51.67273	0.5
53.03934	0.8
55.01868	1.4
55.05294	0.6
55.05511	6.2
57.03436	8.5
57.07068	1.2
61.02911	1.6
61.83295	0.5
67.05503	31.1
69.03418	0.7
69.06712	0.7
69.07066	9.8
70.60606	0.7
71.01344	1.5
71.04982	3.1
79.05490	19.8
79.05953	1.1
81.03401	2.6
81.07053	26.7
83.04981	6.2
83.08614	5.4
85.02908	1.4
85.06543	1.9
86.35463	0.4
91.05478	9.2
93.07041	31.4
94.07397	0.6
95.04949	3.2
95.08600	7.8
95.12505	0.4
97.02876	0.7
97.06535	6.2
97.10168	4.3
99.04512	0.6
99.08092	1.2
103.76641	0.5
105.04507	1.0
105.07035	3.1
107.04913	0.6
107.08585	18.7
109.06529	0.8
109.10175	2.5
111.08086	2.7
111.11743	0.5
112.22540	0.4
113.05970	0.7
117.07008	3.6
119.08558	2.7
121.06511	0.9
121.10147	7.4
125.09587	0.9
131.08540	3.1
133.10101	3.3
135.08131	0.7
135.11687	19.2
136.12044	0.9
137.09593	1.3
139.11159	0.9
145.10143	3.3
149.13252	10.5
149.14435	0.5
153.12772	1.0
159.11707	4.4
163.11127	2.5
177.12735	1.3
181.12204	4.5
195.13828	2.9
226.72974	0.5
255.15898	28.0
269.17444	28.9
270.17712	0.9
394.73740	0.5
431.28040	0.7
449.28970	100.0
450.29364	4.4
473.40146	0.5
646.31781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67368	6.1
67.60576	4.4
69.30640	26.6
79.05476	8.7
81.07057	7.0
81.73969	4.5
88.62735	5.2
89.03764	4.6
91.05469	7.0
95.04987	5.7
95.08616	5.1
98.23512	6.0
102.75263	4.9
123.04424	13.7
139.03909	5.1
153.05382	7.8
154.12831	5.2
167.06973	10.2
181.04947	57.4
182.05690	6.7
183.06525	5.0
196.07289	100.0
197.04350	6.1
197.08017	5.5
199.09563	8.5
211.09651	77.1
212.06618	6.2
227.09119	46.6
261.61920	5.7
399.81763	6.5
436.74445	7.6
489.70270	5.8
500.08633	5.7
529.97015	5.7
646.27197	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	646.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
55.05510	1.2
57.07077	25.8
59.04998	4.7
67.05499	2.6
69.03426	1.9
70.10287	0.5
71.05003	0.6
71.08643	0.6
72.65887	0.6
73.02924	1.9
73.06554	1.4
79.05499	1.3
81.03419	2.3
81.07047	1.6
83.08628	0.6
87.04468	100.0
88.04807	1.3
89.06029	23.3
91.05470	4.0
93.07049	1.3
95.04958	2.6
95.08596	1.5
97.06509	0.7
103.05458	0.5
105.07051	2.1
107.04952	1.6
107.07104	0.9
107.08529	0.7
109.10161	0.9
113.06022	4.2
117.07017	0.8
117.09142	0.6
119.04963	1.0
119.08598	3.0
121.06490	3.8
129.07008	0.7
130.08716	0.6
131.04970	1.2
131.07040	24.2
131.08546	1.0
133.06522	1.7
133.08601	11.0
133.10097	0.9
135.08037	1.1
139.07530	0.5
145.06456	0.9
145.10147	0.9
147.08044	3.7
149.09596	3.5
157.08623	2.6
163.11198	0.8
173.09633	2.9
175.09680	24.0
175.11209	2.6
177.11224	3.3
188.12003	0.6
189.12852	0.6
191.10660	0.8
193.10703	0.6
193.12276	1.7
201.11220	0.8
217.12260	0.8
219.12251	9.5
219.14221	0.7
221.13835	0.9
233.18782	1.3
235.13213	0.9
237.13214	1.0
245.13979	0.6
250.90358	0.6
259.20575	4.9
261.22171	1.1
263.14960	2.0
275.23810	1.6
299.18585	1.1
303.23221	2.2
305.24826	1.5
343.21362	1.5
347.25806	0.8
349.27231	0.7
387.23557	1.1
431.26471	2.3
505.38931	3.9
629.42853	1.3
646.45465	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	647.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53653	0.2
70.58019	0.5
95.54448	0.3
113.63905	0.3
127.21613	0.3
136.45030	0.3
147.14464	0.3
152.95233	0.3
153.05220	0.5
163.57954	0.3
183.37918	0.3
185.04208	1.0
192.03949	2.0
193.04689	0.9
315.10483	100.0
316.10837	3.1
324.08069	0.5
355.10001	24.0
356.10056	0.7
366.08102	0.3
424.79874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
67.05502	1.4
68.04993	0.4
69.07058	1.1
69.11903	2.1
79.05504	0.5
87.57333	0.3
91.05488	0.4
94.06557	3.5
95.04965	0.9
96.04541	0.3
97.06538	0.4
110.06068	0.4
112.07599	0.9
119.86115	0.3
122.06029	11.6
123.04437	6.0
126.18314	0.3
134.06029	0.4
135.04375	0.4
136.07629	0.7
137.05916	0.5
139.03906	4.5
140.07062	11.8
146.06009	4.5
147.04335	0.4
148.07574	8.2
150.05490	2.2
151.03925	0.5
160.07535	0.4
164.07011	0.4
168.06607	1.2
170.09714	0.4
172.03931	1.4
172.07576	1.1
174.05537	2.0
174.09213	0.4
182.08170	1.7
182.09595	0.4
185.10709	1.4
190.04990	4.7
191.05679	0.5
192.06577	0.5
196.07460	0.6
197.08267	0.5
197.10712	0.7
198.09187	2.5
199.08600	0.5
199.12329	0.7
200.13007	0.4
201.10211	2.4
204.06560	0.6
208.09709	0.6
212.10954	2.3
213.10188	2.5
214.10887	0.7
215.11795	2.8
218.08194	0.5
224.07149	0.4
225.08382	0.4
225.10310	3.1
226.08824	0.5
226.10913	0.7
227.08212	1.9
227.11736	1.3
228.08894	0.4
228.12546	1.1
229.09657	2.4
229.13374	1.2
239.09348	0.5
239.11795	0.9
240.10144	1.1
241.09692	4.6
241.13382	3.0
242.08365	0.5
242.10486	9.6
242.13048	0.6
243.11269	7.8
244.12091	0.9
255.11270	3.2
256.09744	0.2
256.12045	7.6
257.10471	0.6
257.12823	9.6
258.11252	1.3
258.13626	1.3
259.11319	0.5
259.14398	0.4
267.11295	1.3
269.09183	0.6
271.14481	0.5
272.12802	0.8
273.07578	1.0
274.13736	0.7
283.10876	0.4
284.11560	6.2
285.12372	7.6
286.12726	0.4
287.10333	1.9
287.13889	7.6
289.12152	0.6
289.15402	3.6
299.10428	0.6
300.66959	0.3
301.11877	1.9
302.12607	3.7
303.13403	2.4
313.11716	2.2
315.13312	1.7
316.14276	0.8
317.14941	100.0
318.15329	2.9
331.12881	0.7
367.12817	0.6
430.17725	1.7
462.20251	1.0
474.16724	0.7
506.18399	0.5
571.26501	0.4
597.22980	0.6
603.28168	1.2
615.24170	1.0
629.26080	1.7
647.29340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35961	0.8
55.01863	0.9
67.05501	1.2
69.07069	1.3
69.70499	0.9
70.60619	1.9
79.05485	1.1
80.05029	1.0
85.02986	0.7
93.33298	0.7
94.06054	0.8
94.06545	4.6
95.04990	1.0
101.25686	0.7
108.08118	0.8
116.10266	0.9
118.06546	0.9
122.06036	12.8
123.04424	1.3
136.07594	2.1
139.03882	1.5
140.07065	16.2
144.04457	1.2
145.05234	1.8
146.05994	14.6
147.04501	0.8
147.99503	1.0
148.07648	0.8
151.03877	4.5
157.10115	0.9
160.07608	1.0
162.05562	1.3
167.03470	1.2
170.09668	2.8
172.03938	12.9
172.07478	1.0
172.11163	1.6
173.04749	2.2
174.05531	9.8
181.04988	1.7
183.06848	0.9
187.12325	4.2
191.05779	1.6
192.06487	0.9
198.09134	19.5
200.09273	1.7
200.10847	1.5
204.06584	17.3
206.08119	9.8
210.09027	1.1
212.10931	3.8
215.11797	16.4
225.10269	1.1
226.08656	5.7
226.10538	0.9
227.08194	1.8
227.11830	6.0
229.13280	0.9
231.11301	1.4
235.09761	1.4
240.10223	2.5
241.09766	2.7
241.13293	1.0
242.10527	3.3
243.11285	95.2
244.11606	2.4
255.11296	17.3
257.12915	5.4
270.31329	0.8
283.10617	1.1
284.11453	1.4
285.12335	90.6
286.12671	1.7
301.11865	10.9
302.12610	1.9
303.13388	100.0
304.13770	1.8
313.11801	9.3
319.07922	1.4
331.12888	2.2
345.14383	6.3
347.15863	1.0
386.82617	1.0
430.17490	1.8
471.18039	1.3
474.16763	5.5
482.41479	1.1
489.18671	2.3
506.19232	1.2
571.25647	1.1
597.23560	1.3
615.24554	7.3
629.26202	9.2
647.27917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05456	0.3
70.18295	0.7
93.07029	0.3
98.22784	0.4
107.08601	0.4
203.05302	0.7
222.37708	0.3
243.08452	1.0
256.73239	0.3
336.22369	0.3
429.25824	1.8
463.52316	0.3
485.28830	2.7
647.33966	100.0
648.34326	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	647.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83256	0.5
69.26589	2.7
87.04509	0.7
98.22713	1.2
107.85765	0.5
133.08630	0.9
164.92093	0.6
168.95001	0.6
184.11243	0.5
243.08464	1.0
293.90372	0.5
331.70383	0.5
367.95013	0.6
429.26321	2.5
485.28912	2.5
493.50461	0.5
647.34003	100.0
648.34143	6.7
662.39313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97326	0.2
51.99511	0.2
53.03943	0.3
55.01862	1.2
55.05523	0.6
57.03429	1.8
66.94397	0.2
67.05505	6.0
69.03429	1.1
71.05002	0.6
73.02922	0.7
79.05502	0.9
79.08475	0.2
81.03415	0.3
81.07059	0.8
83.08621	0.6
85.02914	2.4
91.05483	13.2
92.05780	0.3
93.07044	7.4
95.01337	0.3
95.04969	0.5
95.08607	13.6
97.02879	0.5
99.04443	0.5
101.02383	7.4
105.07031	0.9
107.08589	0.5
109.10159	9.2
117.07022	0.7
117.89130	0.2
119.08582	51.2
120.08905	1.3
121.56992	0.3
123.08083	1.6
129.07010	0.8
137.09618	47.3
138.09995	1.2
140.04652	0.3
141.01808	0.8
147.08057	9.4
155.10686	3.3
165.09128	10.0
166.09418	0.3
183.10156	3.9
201.11224	40.8
202.11620	0.9
209.08009	0.4
214.90756	0.2
239.12715	1.3
257.13837	100.0
258.14203	3.4
275.14886	32.1
275.18042	0.4
276.15182	1.0
290.83569	0.2
293.15836	0.8
397.15115	0.3
415.16077	1.6
433.16922	1.9
451.18173	4.6
522.71527	0.3
653.48315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68055	6.1
64.69650	6.2
65.46564	5.9
66.17559	5.9
69.07663	18.6
69.08092	24.9
107.47245	6.4
123.04449	7.7
128.99644	6.2
134.10625	5.6
139.07576	7.3
167.06966	5.8
181.04932	32.0
184.07304	7.1
196.07307	84.2
197.08148	9.8
208.10632	6.7
211.09666	70.6
212.06812	13.0
227.09174	100.0
267.16788	7.7
285.48254	7.5
470.64182	7.5
510.46310	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	648.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
57.07076	37.2
58.07393	0.3
59.04993	0.3
62.87363	0.3
69.07074	0.5
69.09506	2.0
71.08641	1.1
73.02917	100.0
73.06552	1.4
74.03242	0.7
77.03953	0.4
77.54967	0.3
79.05489	0.5
83.89418	0.3
86.09694	0.5
87.04469	6.8
88.04809	0.5
89.06030	18.5
89.23409	0.3
91.05478	3.3
93.07040	4.4
95.04974	1.8
103.05482	1.1
105.04510	0.6
105.07053	1.3
107.04941	0.8
107.07079	0.4
107.08605	1.3
108.99700	0.3
109.06560	0.6
113.13264	0.6
117.05488	1.9
117.07034	0.8
117.09129	0.6
118.07816	2.6
119.04958	2.0
119.08570	3.0
119.09328	0.4
121.06510	14.2
121.10177	0.6
123.08076	0.5
130.08685	0.3
131.07053	2.1
131.08607	0.4
133.08606	11.8
133.10172	0.7
135.08069	2.0
135.11713	1.0
147.08049	6.5
149.09621	2.5
149.13269	0.7
150.06796	1.7
159.11679	0.9
161.08115	2.6
163.11215	1.4
165.07735	0.4
165.09117	5.8
167.10722	0.7
175.09671	1.3
177.11261	5.3
177.12772	1.2
179.09181	0.4
184.07318	1.8
191.10701	1.7
193.12292	0.5
205.10719	8.1
205.58502	0.3
209.11763	2.3
211.13274	0.9
221.13882	1.3
233.18988	10.4
233.21364	0.6
235.13301	0.9
249.13399	2.0
253.14436	1.0
255.15981	0.5
259.20660	1.0
265.16467	0.8
275.23715	0.4
277.21634	13.0
278.22040	0.4
279.16034	0.6
283.17520	0.6
293.15781	0.4
297.17200	0.4
299.18768	0.4
303.23312	1.0
307.75775	0.3
309.19174	0.3
321.24237	4.1
365.26782	0.3
403.23462	0.4
447.25790	0.4
468.57645	0.3
491.28546	4.5
515.36176	0.3
519.28284	0.5
603.41064	4.7
631.40576	0.5
648.43182	30.1
649.43768	2.7
666.52557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41278	2.7
54.81819	3.0
58.74295	2.7
69.96043	9.1
78.76453	3.3
94.93006	11.3
161.72122	3.1
202.89088	100.0
241.78838	2.8
244.90399	3.4
246.88104	6.4
251.29405	2.8
257.48730	3.1
298.84738	3.0
306.90176	75.8
355.28693	3.5
366.31180	3.0
434.37405	3.8
440.65594	3.1
442.89526	3.6
526.81006	3.4
606.88623	3.5
649.09369	72.2
650.09369	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	649.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74118	1.6
66.98403	2.0
67.90749	2.1
69.07070	3.2
69.56998	6.6
69.74294	1.7
73.83278	1.9
80.56055	1.6
81.07053	3.0
82.88949	1.8
85.02927	3.0
87.05270	1.7
91.05421	1.7
93.07021	2.6
97.35425	1.8
98.22747	3.4
122.06026	5.9
131.08627	1.8
134.05902	1.8
136.07568	2.3
137.05977	3.6
138.89655	1.9
139.03874	3.8
140.07063	10.7
146.05981	3.7
148.07565	10.5
152.07063	8.7
161.05974	3.1
167.03375	3.5
174.05533	1.9
176.06961	1.6
181.04929	3.8
194.08170	10.0
204.10071	2.0
213.10335	2.1
213.97795	2.0
222.11288	2.2
225.10158	8.6
226.11002	4.5
227.11760	4.3
229.13216	3.2
237.10101	3.0
239.11819	8.3
240.12651	4.2
251.11766	3.3
253.09654	10.6
253.13539	2.0
254.10353	2.8
255.11237	6.3
263.11929	3.7
265.09665	5.6
266.10492	5.0
267.11243	8.4
269.12808	5.6
271.10843	3.3
280.12268	3.5
281.12784	5.5
283.10681	4.9
283.14246	2.1
284.11618	2.1
285.12314	7.8
286.13046	2.4
287.13882	24.1
291.11389	2.9
293.09192	16.7
294.09961	18.3
295.10739	11.6
297.12393	11.4
299.13919	5.5
300.14566	2.0
301.11758	2.6
303.13351	3.5
309.12299	39.6
312.11212	3.2
313.11768	8.1
314.12811	2.2
327.13385	25.8
328.13907	3.4
330.15948	2.4
331.16684	2.8
339.13428	6.6
341.15042	16.7
342.15732	4.6
343.16519	21.0
349.14020	5.9
351.13293	11.8
367.12671	6.4
369.14456	100.0
370.14816	5.0
387.15497	30.9
390.18347	2.5
399.15787	3.2
400.16495	5.6
432.19284	3.6
458.17209	3.8
459.17844	3.1
467.27579	2.0
482.22867	56.1
483.23325	3.5
496.92276	2.5
508.20923	25.6
509.21555	26.5
526.21649	5.6
527.22595	10.3
573.27087	11.5
587.24432	1.9
599.25000	25.6
631.27026	6.8
649.25507	2.8
649.33813	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	649.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.1
53.03960	9.9
55.01872	6.3
55.05511	24.5
55.63181	1.6
57.03434	15.1
57.07078	2.9
64.01957	1.9
65.03938	5.9
67.05508	72.7
67.91853	1.7
68.59313	2.0
69.03435	20.6
69.07069	16.5
70.06595	2.2
70.12238	1.7
70.12556	3.6
71.05004	7.5
77.03925	3.2
79.05495	100.0
80.56388	1.8
81.03417	40.7
81.07059	58.2
82.07375	1.9
83.04980	23.2
83.08617	11.3
85.02911	12.5
85.06531	3.1
88.07645	4.6
88.73437	2.0
89.06073	1.8
91.05481	94.1
93.06450	4.3
93.07046	84.1
95.04976	36.3
95.08607	38.1
97.02885	13.1
97.06551	6.1
97.10149	2.0
99.04460	5.0
102.09206	4.0
103.05492	3.4
104.14001	1.8
105.04527	10.5
105.07033	66.5
106.07447	1.8
107.04961	16.5
107.08593	21.8
109.02882	7.3
109.06528	11.7
109.10177	3.9
111.04399	2.0
111.08101	4.6
115.05428	7.4
117.07034	24.7
119.04935	2.9
119.08591	37.3
121.06525	7.4
121.10153	6.8
123.04412	1.9
123.08082	9.6
123.11637	1.7
127.03925	9.1
127.07600	2.0
128.06230	8.6
129.05476	5.1
129.07005	42.6
131.04976	4.0
131.08566	19.6
133.06470	10.0
133.10135	16.8
135.08054	3.9
135.11685	5.5
137.09636	2.2
141.07004	5.5
143.08568	21.7
145.06488	10.5
145.10124	21.8
147.08029	7.1
147.11682	44.9
149.02336	4.3
149.06006	3.3
155.08591	5.7
157.06522	5.4
157.10146	7.6
159.08063	6.5
159.11725	5.6
161.09691	6.4
161.13249	16.3
163.11221	3.8
167.08549	5.9
169.06427	2.2
169.10152	6.4
171.08070	8.9
171.11688	35.6
173.04495	16.6
173.09676	4.6
177.12785	3.5
179.14357	3.2
180.24529	2.0
181.10130	5.3
183.08014	3.2
183.11649	3.2
185.09653	5.2
185.13260	3.3
187.11111	2.4
189.12724	22.3
193.04962	6.6
195.11758	4.5
203.14337	2.2
207.13791	39.1
209.13245	3.1
213.12746	2.2
215.14543	2.3
221.15465	2.4
223.14873	6.0
225.14816	6.3
227.14359	2.1
228.23260	7.3
233.15399	2.7
241.15953	9.1
245.15395	3.2
251.14328	4.8
256.26447	7.4
257.15482	2.5
259.16934	4.6
263.16476	5.1
269.15311	12.1
273.14963	2.1
276.84766	2.0
279.16095	3.4
281.17477	83.6
282.18002	2.5
287.16385	15.5
296.93353	2.3
297.14642	2.7
305.17334	3.7
309.17004	4.6
315.15918	3.9
333.16940	2.9
351.17941	3.4
361.20032	4.5
407.20645	2.1
425.21579	5.9
469.30139	2.2
487.30414	71.1
488.30426	5.9
501.32071	5.2
529.31781	2.7
539.33075	2.4
549.31927	5.8
567.33246	12.7
613.33704	3.2
631.34961	10.6
649.34155	35.5
649.50397	17.8
650.35291	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	649.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.1
53.03960	9.9
55.01872	6.3
55.05511	24.5
55.63181	1.6
57.03434	15.1
57.07078	2.9
64.01957	1.9
65.03938	5.9
67.05508	72.7
67.91853	1.7
68.59313	2.0
69.03435	20.6
69.07069	16.5
70.06595	2.2
70.12238	1.7
70.12556	3.6
71.05004	7.5
77.03925	3.2
79.05495	100.0
80.56388	1.8
81.03417	40.7
81.07059	58.2
82.07375	1.9
83.04980	23.2
83.08617	11.3
85.02911	12.5
85.06531	3.1
88.07645	4.6
88.73437	2.0
89.06073	1.8
91.05481	94.1
93.06450	4.3
93.07046	84.1
95.04976	36.3
95.08607	38.1
97.02885	13.1
97.06551	6.1
97.10149	2.0
99.04460	5.0
102.09206	4.0
103.05492	3.4
104.14001	1.8
105.04527	10.5
105.07033	66.5
106.07447	1.8
107.04961	16.5
107.08593	21.8
109.02882	7.3
109.06528	11.7
109.10177	3.9
111.04399	2.0
111.08101	4.6
115.05428	7.4
117.07034	24.7
119.04935	2.9
119.08591	37.3
121.06525	7.4
121.10153	6.8
123.04412	1.9
123.08082	9.6
123.11637	1.7
127.03925	9.1
127.07600	2.0
128.06230	8.6
129.05476	5.1
129.07005	42.6
131.04976	4.0
131.08566	19.6
133.06470	10.0
133.10135	16.8
135.08054	3.9
135.11685	5.5
137.09636	2.2
141.07004	5.5
143.08568	21.7
145.06488	10.5
145.10124	21.8
147.08029	7.1
147.11682	44.9
149.02336	4.3
149.06006	3.3
155.08591	5.7
157.06522	5.4
157.10146	7.6
159.08063	6.5
159.11725	5.6
161.09691	6.4
161.13249	16.3
163.11221	3.8
167.08549	5.9
169.06427	2.2
169.10152	6.4
171.08070	8.9
171.11688	35.6
173.04495	16.6
173.09676	4.6
177.12785	3.5
179.14357	3.2
180.24529	2.0
181.10130	5.3
183.08014	3.2
183.11649	3.2
185.09653	5.2
185.13260	3.3
187.11111	2.4
189.12724	22.3
193.04962	6.6
195.11758	4.5
203.14337	2.2
207.13791	39.1
209.13245	3.1
213.12746	2.2
215.14543	2.3
221.15465	2.4
223.14873	6.0
225.14816	6.3
227.14359	2.1
228.23260	7.3
233.15399	2.7
241.15953	9.1
245.15395	3.2
251.14328	4.8
256.26447	7.4
257.15482	2.5
259.16934	4.6
263.16476	5.1
269.15311	12.1
273.14963	2.1
276.84766	2.0
279.16095	3.4
281.17477	83.6
282.18002	2.5
287.16385	15.5
296.93353	2.3
297.14642	2.7
305.17334	3.7
309.17004	4.6
315.15918	3.9
333.16940	2.9
351.17941	3.4
361.20032	4.5
407.20645	2.1
425.21579	5.9
469.30139	2.2
487.30414	71.1
488.30426	5.9
501.32071	5.2
529.31781	2.7
539.33075	2.4
549.31927	5.8
567.33246	12.7
613.33704	3.2
631.34961	10.6
649.34155	35.5
649.50397	17.8
650.35291	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	650.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90068	2.1
54.64115	1.9
58.53519	2.0
67.05503	6.7
70.01902	6.4
79.05497	4.8
81.07040	4.3
95.08602	8.1
96.22736	2.4
98.23409	2.9
105.03384	2.3
107.04951	4.1
109.06514	4.9
111.08055	2.6
123.04422	3.3
123.43423	2.7
124.05188	4.1
135.04416	5.9
137.05952	3.3
139.07542	19.7
153.05487	3.6
167.07021	38.2
169.04951	5.2
182.05707	2.1
183.02876	7.0
183.06525	9.7
184.07294	2.5
185.04436	3.8
196.07430	2.8
197.04446	16.0
197.08031	7.4
198.05200	5.8
199.09634	7.7
209.08078	3.0
211.09601	3.6
212.06795	13.0
213.07587	44.3
215.12758	4.4
223.09637	9.6
227.09126	100.0
232.62012	2.3
237.11218	2.3
261.99329	2.0
280.65588	2.4
313.27338	3.5
352.87042	2.6
387.24841	2.7
437.60431	2.2
460.43900	2.2
569.30591	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	650.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.6
57.07093	0.2
58.06593	0.4
59.03722	0.2
59.07412	0.2
60.07875	0.3
60.08165	5.9
67.05513	0.5
69.41451	0.8
70.94129	0.2
71.07377	2.6
73.06133	0.2
86.09707	26.0
98.98466	2.5
104.10748	2.3
109.10197	0.4
125.00006	17.9
143.01030	0.3
184.07341	100.0
185.07707	0.7
297.20309	0.2
410.19235	0.2
501.35043	0.2
515.33081	0.2
650.43945	8.9
651.44135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
57.07074	79.6
59.05001	1.0
67.05511	1.4
69.03430	0.9
69.60209	2.2
69.60615	1.2
73.02899	0.8
73.06541	2.3
77.03940	1.2
79.05511	1.4
80.59692	0.7
81.07040	1.3
83.08604	0.9
87.04461	21.9
89.06027	100.0
91.05474	9.7
93.07047	7.2
95.04967	2.6
95.08592	0.9
98.97588	1.1
99.11720	3.0
103.05461	1.7
105.04483	0.9
105.07052	2.4
107.04942	3.7
107.07076	3.0
107.08585	4.1
109.06559	0.8
117.07017	3.0
117.09115	1.5
118.07816	5.3
119.04949	3.1
119.08594	6.2
120.90171	0.7
121.06501	21.9
121.07335	1.6
121.10084	1.1
121.52261	0.8
123.08057	1.4
130.08685	2.7
131.07022	10.0
132.09328	1.4
133.08600	68.6
135.08032	9.0
135.11710	2.9
136.06194	3.0
141.78435	0.7
145.10152	0.9
147.08037	12.1
149.09613	3.3
149.13232	1.1
150.06723	4.1
163.11174	5.4
165.09094	8.2
167.10715	2.1
175.09679	7.3
175.11113	1.5
177.11203	28.8
177.12747	2.0
191.10707	3.2
193.12221	1.3
200.23555	0.8
209.11696	3.9
211.13345	3.0
213.72745	0.7
219.12216	0.8
219.17427	20.8
219.19476	1.6
220.17735	1.0
221.13814	7.6
235.13292	3.0
239.14883	1.1
245.18936	4.5
253.14401	1.5
255.16002	2.5
261.18558	0.8
261.22083	1.9
263.20041	33.2
264.20477	0.9
265.16440	2.2
279.15900	1.4
283.17560	2.2
289.21732	4.4
299.18597	1.2
307.22659	11.7
309.19174	0.8
317.17938	1.3
323.96051	0.8
327.20215	1.4
351.25305	1.0
353.21628	1.4
414.15665	1.3
415.15326	1.2
448.28702	0.8
535.30969	4.8
538.30853	1.1
545.37006	0.8
589.39313	1.2
590.21686	1.1
591.22327	2.5
633.41986	16.2
634.42871	1.4
650.44788	10.0
651.23688	1.6
651.41437	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	651.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.8
67.05481	1.3
68.05029	0.9
69.07064	7.9
69.47150	1.7
69.47534	2.0
80.05002	0.8
85.02866	1.0
88.70468	0.8
91.05486	1.9
93.05802	1.4
94.06563	12.4
95.04970	3.1
97.02922	0.9
97.06526	1.3
108.08097	1.9
112.07613	3.7
119.07336	1.1
120.08095	2.9
121.06514	3.0
122.06025	42.5
123.04433	5.2
127.03915	0.8
134.06047	0.9
137.05931	0.9
139.03925	1.3
140.02678	0.9
140.07059	63.3
141.07423	1.7
146.05994	7.1
147.04492	0.8
148.07571	69.0
149.07936	1.3
150.09143	1.4
152.07098	1.1
155.07048	0.8
174.05539	4.2
176.07021	1.2
190.04959	3.9
197.10802	1.1
198.09299	1.3
199.36781	0.8
212.00441	0.8
212.10594	0.8
213.10201	1.9
215.11807	3.6
225.10287	1.8
227.11703	1.1
231.11337	1.0
237.10304	1.4
239.11758	1.3
241.09686	1.8
241.13522	0.9
243.11263	12.6
254.10880	0.8
256.12082	1.1
257.12827	1.0
261.12323	1.2
265.09723	1.3
265.13272	1.0
267.11246	1.1
267.15842	0.9
269.12897	1.2
271.10687	0.9
273.12347	1.4
274.13101	1.1
283.10776	3.3
285.12280	9.8
287.13892	100.0
288.11392	1.0
288.14273	3.5
290.12799	1.1
301.11816	2.3
302.12573	1.9
303.13388	45.5
304.14081	3.9
305.15054	3.0
309.17032	0.9
313.11786	9.9
317.71902	1.0
318.16034	3.7
319.16751	3.0
331.12955	3.6
332.17499	1.4
342.16348	1.0
344.13788	1.1
346.15460	3.6
347.16275	6.2
348.16837	1.2
356.13730	1.0
360.17041	3.5
362.18625	1.2
373.14218	1.3
374.15009	2.0
378.18091	3.2
379.18927	1.2
386.15082	2.3
387.15518	1.3
388.16425	3.3
389.17383	1.6
402.18341	1.7
404.15854	1.6
406.17514	7.6
407.17908	1.0
408.19244	2.5
414.14508	1.1
415.15622	3.7
415.20258	0.9
416.15915	5.1
419.18347	1.3
420.19089	1.2
430.17508	3.7
431.17990	1.0
433.16196	1.2
434.17020	1.8
446.17120	1.2
448.18600	16.7
449.10995	1.4
449.19272	4.9
456.15552	1.2
462.11621	1.1
474.16565	3.6
477.14651	1.1
480.12921	2.1
484.04330	0.9
495.15271	3.2
547.25433	1.0
571.25037	1.4
589.26550	30.7
590.26349	2.5
591.17108	3.1
597.23462	0.9
609.18561	5.0
615.24457	19.4
616.24628	1.3
651.19128	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	651.3353
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
54.01497	0.2
55.01873	0.3
55.05497	0.9
57.03433	1.4
57.07042	0.4
61.02919	2.9
67.05162	0.3
67.05504	4.2
69.03419	2.1
69.07067	1.2
71.04988	0.7
73.02912	2.7
79.05486	3.3
81.03423	1.1
81.07053	4.3
83.04961	0.6
83.08601	0.7
85.02898	2.9
85.06536	0.3
87.04457	0.4
89.06039	0.7
91.03965	1.6
91.05474	1.6
93.07037	4.6
95.05005	0.6
95.08603	1.2
97.02895	3.0
97.06522	1.0
97.10170	0.6
98.23436	0.5
98.27220	0.2
99.04453	0.4
101.02376	1.6
105.07036	0.8
107.08597	2.7
109.02969	0.3
111.08098	0.6
117.07037	0.7
119.08620	0.3
120.66108	0.3
121.10155	1.2
127.03926	0.9
129.05476	0.3
133.08597	0.4
133.10191	0.4
134.82045	0.3
135.11690	3.3
145.04936	0.3
145.10114	0.6
149.13257	2.1
153.12805	0.3
159.11716	0.9
177.11234	0.3
177.12733	0.5
181.12317	0.5
185.04251	0.5
195.13831	0.3
203.05231	0.4
221.11542	1.2
235.13081	0.8
243.08397	1.8
254.50003	0.3
269.17459	0.4
273.48563	0.3
277.13992	0.6
291.15601	0.5
388.07816	0.3
398.69897	0.3
439.19321	5.9
453.20917	8.5
454.20956	0.5
489.28723	0.4
651.33441	100.0
652.33789	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	652.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
65.03941	2.0
66.28567	1.5
68.19637	1.6
69.03455	4.1
71.42400	1.8
71.89079	1.4
85.02915	7.4
88.26295	1.6
88.33665	1.4
89.99705	1.4
93.03439	1.4
95.05000	1.5
96.67149	1.5
98.87084	1.5
119.04970	1.8
119.80030	1.5
121.02920	1.6
127.03931	1.6
131.04906	2.5
133.02821	7.6
139.03903	78.0
140.04276	2.6
147.04434	4.3
149.05885	1.5
150.03104	4.1
151.03912	9.8
153.05481	3.7
155.04858	2.2
159.04411	12.4
163.03894	9.8
165.05389	1.9
166.02640	2.1
167.03378	2.2
169.05042	1.5
173.02219	1.9
175.03926	6.4
176.04706	2.3
177.01839	14.1
177.05449	7.4
178.02640	3.5
179.03395	7.2
179.07115	1.7
181.04955	31.5
187.03992	4.5
191.03441	14.9
193.04991	11.1
195.02835	11.6
195.06522	2.8
197.04445	10.3
197.89632	1.8
204.04233	5.2
205.04965	14.3
207.02867	2.5
207.06453	2.0
209.04436	24.6
211.02461	2.2
215.03392	5.6
216.04155	2.3
217.05016	3.4
219.02954	1.9
219.06554	11.3
221.04533	13.3
223.02394	3.6
223.06021	3.4
229.05035	1.7
232.03767	2.9
233.04402	18.6
235.06047	2.2
243.02969	2.4
245.04591	3.9
247.06007	17.2
251.05560	25.0
257.04483	3.6
263.05530	21.2
275.05493	20.3
276.05756	2.6
281.06561	5.8
293.06564	20.3
307.08102	22.1
311.07593	17.8
329.08676	100.0
330.09076	3.1
563.58832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05516	1.4
57.07075	43.5
59.04989	1.6
64.82337	1.2
67.05502	2.0
69.09922	8.4
73.02903	2.3
73.06541	3.6
79.05489	2.8
80.34136	1.4
81.07066	3.5
87.04465	22.3
89.06032	100.0
91.05479	14.5
93.07055	9.9
95.04960	3.8
98.22710	2.8
99.45510	1.2
103.05476	2.4
105.07037	8.4
105.50609	1.5
107.07079	2.2
107.08584	3.9
109.06522	2.0
116.75037	1.3
117.09128	2.1
119.04918	5.3
119.08612	6.5
121.06511	36.5
121.10134	2.2
130.08662	1.8
131.07047	11.1
131.08578	3.4
133.08607	63.9
135.08067	3.5
135.11723	2.2
147.08061	17.1
149.09608	5.5
149.13271	1.8
159.11627	3.3
161.10814	3.2
163.11186	1.8
165.09137	8.9
167.10695	4.4
175.09656	8.0
175.11095	2.4
177.11221	26.9
177.12769	25.9
177.13866	0.8
177.14326	1.4
191.10631	2.9
203.14304	4.2
209.11804	2.5
211.13348	3.9
219.12224	1.6
219.17509	3.1
221.13853	3.5
221.15451	35.0
235.13235	2.8
247.16893	3.8
255.15909	2.7
265.18158	12.8
279.15948	2.8
283.17529	1.9
327.20230	1.3
353.21619	1.7
439.21326	1.2
454.21130	3.4
635.39667	12.8
652.33447	23.7
652.42725	7.7
653.33276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35746	1.7
53.03949	5.4
55.01865	3.5
55.05513	5.5
57.03433	4.9
57.07082	5.2
59.02288	1.7
61.02919	3.8
65.03932	2.1
67.05513	10.7
69.03435	20.3
69.07066	6.6
69.47959	7.0
71.05000	4.9
73.02896	3.8
76.83566	2.1
79.05489	12.7
81.03429	13.1
81.07056	33.7
83.04987	14.6
83.08630	5.0
85.02911	38.4
85.06551	3.8
87.00822	13.3
87.04447	2.2
91.05497	9.5
93.07053	17.4
95.04981	32.1
95.08590	13.3
97.02892	20.0
97.06523	11.3
97.31406	2.0
98.23454	4.3
99.04478	11.0
105.01857	18.4
105.07032	31.5
107.08593	54.6
108.08967	2.1
109.02876	16.9
109.06517	47.4
109.10168	30.8
111.08048	4.4
115.07587	4.2
119.08580	21.4
121.06483	3.0
121.10144	29.6
123.08075	7.3
123.11726	8.6
125.09617	2.1
127.03920	28.2
129.01903	1.9
129.07016	2.5
131.08556	24.8
133.10129	95.9
134.10460	3.1
135.08073	12.5
135.11662	14.5
139.11191	12.4
143.08530	3.0
145.04938	11.0
145.10141	12.9
147.11678	19.7
149.09665	3.0
149.13255	26.6
151.11203	6.9
153.09111	16.9
158.10878	11.2
159.02907	7.1
163.11157	3.5
163.14807	5.1
164.33307	2.0
165.12805	5.9
167.14301	4.2
171.10272	2.6
173.13255	87.9
174.13649	2.5
175.14828	38.8
189.12648	2.3
191.14311	100.0
192.14581	2.4
193.15973	2.3
209.15373	73.9
210.15833	3.7
213.04057	2.3
227.16400	32.0
231.05038	7.3
249.06003	2.9
316.02866	2.3
317.17340	2.7
353.19641	2.8
421.18927	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	654.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
54.25397	0.8
54.25704	0.8
55.01867	2.5
55.05519	3.9
55.08192	0.7
57.03428	0.9
57.07078	6.4
61.02930	2.2
67.05506	5.3
68.99813	1.7
69.03430	6.3
69.07073	5.5
69.53842	3.4
71.05026	1.2
71.08640	2.2
72.94415	0.8
73.02922	1.3
79.05489	1.3
81.03430	3.3
81.07050	4.3
83.05003	0.9
83.08623	3.2
85.02905	21.7
85.10187	3.2
85.30898	0.9
91.03928	1.0
91.05483	3.1
93.03389	0.9
93.07053	1.0
95.00715	0.8
95.04962	2.8
95.08604	6.3
97.02905	5.3
97.10178	2.0
98.22688	1.5
103.03943	1.1
105.03391	0.8
105.07049	2.8
106.11292	0.9
107.04985	1.1
107.08571	1.0
109.02862	2.6
109.06514	1.5
109.10133	2.1
111.04450	9.1
113.09647	1.9
115.03917	0.7
115.05481	2.4
117.07014	1.2
119.04939	5.0
119.08610	2.4
121.02901	2.6
121.06500	1.0
123.04429	41.6
123.11671	1.2
124.04734	1.1
127.03913	28.9
127.55721	0.9
129.07066	1.4
131.04955	1.0
131.08542	0.8
133.02837	1.1
133.06499	8.8
133.10168	0.9
135.04405	1.1
137.05954	5.4
139.03900	93.7
140.04219	2.1
143.08514	0.8
145.04985	4.4
145.06444	1.0
147.04413	11.2
147.08034	8.3
149.06012	3.3
151.03908	11.3
151.07587	2.6
153.05496	5.1
155.03389	83.7
157.06351	0.9
161.02380	0.9
161.05977	16.1
161.09604	2.2
161.65285	0.8
163.03905	14.8
163.06091	1.9
163.07558	5.5
165.05473	29.4
167.03505	1.4
173.09673	1.1
175.03957	1.1
175.07512	5.3
177.05495	3.5
177.09100	1.3
179.03453	11.1
179.07027	48.2
180.07339	0.9
181.08606	1.6
189.05521	2.5
189.09134	4.3
191.03528	0.9
193.04944	1.8
193.08643	4.0
203.07095	1.8
203.17964	1.5
205.05002	6.4
217.04930	2.0
221.04468	9.0
221.19000	1.4
231.06607	1.5
231.17416	7.7
245.04500	4.8
245.08176	2.2
249.18520	17.9
259.16879	10.7
263.05496	1.6
273.07675	2.0
273.18549	1.6
277.17984	48.1
278.18329	1.5
294.24924	0.8
295.19037	100.0
296.19394	3.5
301.17944	1.8
313.20087	34.1
319.18967	5.9
329.10065	1.6
337.20096	7.8
343.18900	4.2
361.19995	6.0
379.21088	11.5
385.20023	3.2
391.21518	0.9
403.21259	7.2
421.22275	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	654.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69170	1.2
53.03949	2.6
55.01895	2.2
55.05515	8.2
57.03438	13.6
59.04999	3.3
61.02935	1.4
65.03945	3.1
67.05504	77.2
69.03432	4.6
69.07069	4.9
71.01349	1.6
71.05001	4.4
72.14886	1.5
79.05497	10.7
79.46398	1.4
80.87420	1.5
81.03416	55.7
81.07059	20.8
83.04980	4.2
83.08623	18.0
85.02903	5.2
85.06548	3.0
91.05486	15.5
93.07038	10.3
95.04967	15.9
95.08591	8.9
97.02893	3.3
97.06538	2.0
97.10168	3.0
99.17737	1.4
99.45788	1.3
105.07006	8.6
107.04958	6.2
107.08640	4.8
109.06531	3.5
109.10155	75.3
110.10489	1.6
111.08056	10.3
117.07066	1.6
119.08598	13.9
121.06540	2.0
121.10146	4.2
123.04391	2.5
123.08127	1.8
125.09644	1.8
127.03957	2.2
129.07010	5.2
131.08595	3.3
133.06483	2.1
133.10124	5.7
137.09612	6.0
145.06619	1.4
147.08047	2.7
147.11684	5.8
149.09621	2.9
155.10699	5.6
157.10109	7.7
165.12778	1.8
173.11720	19.9
175.11142	8.8
193.12247	21.0
229.14345	100.0
230.14809	3.1
267.15915	92.7
268.16351	2.6
277.51358	1.4
327.25375	3.3
329.21063	2.1
364.16077	1.6
403.24802	12.0
404.24670	1.4
421.25830	99.3
422.26144	4.8
439.26633	2.4
448.17883	1.9
463.26764	1.8
492.29926	1.7
547.28754	1.6
654.38702	4.2
655.26172	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74890	4.9
67.05537	6.5
69.07063	4.9
69.42557	21.6
79.05477	4.7
80.39068	3.9
81.07037	7.5
85.40759	4.5
98.22717	8.5
109.06514	6.9
111.70702	4.7
115.66801	5.1
133.38916	4.2
135.04457	4.5
137.05989	17.8
139.07535	12.0
151.07533	6.6
152.04681	3.8
153.05476	7.3
155.07048	4.8
167.07060	29.4
169.04961	11.7
169.08543	6.2
181.08565	22.3
183.06512	46.3
184.07262	11.7
185.04446	8.4
195.10201	4.5
197.08064	48.5
199.06180	5.7
199.09657	5.6
200.06830	14.0
211.09633	8.9
212.06886	9.1
213.07539	20.6
215.09157	9.3
222.88084	5.0
227.09119	100.0
257.08270	5.2
391.28433	6.7
469.25644	5.3
505.30118	4.2
573.34167	14.3
591.35413	8.2
605.36652	16.9
623.37891	20.0
637.38806	9.2
654.36249	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	655.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38624	1.7
67.05516	1.9
68.16743	1.7
70.68214	2.1
130.92038	1.9
133.06116	1.7
163.06021	2.4
180.38066	2.0
188.06833	2.5
229.14442	2.1
311.13702	4.1
316.12054	2.3
317.12573	12.3
318.13367	2.8
319.10696	7.1
320.11453	2.0
361.11560	100.0
362.12308	12.5
393.14075	11.8
456.19046	3.1
483.17599	15.0
501.18915	3.3
502.19702	6.2
579.26160	4.9
623.24756	87.3
624.25281	6.7
655.27405	85.8
655.38702	3.8
656.28058	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	655.2765
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
55.05502	4.4
57.07069	2.6
67.05533	1.6
81.07024	1.6
83.04987	15.5
93.07065	1.6
107.08601	1.6
110.46835	1.3
116.71883	1.1
123.39020	1.1
129.07013	2.5
147.11679	3.1
167.22057	1.2
175.01535	5.8
181.02580	12.8
197.34344	1.3
203.08298	1.4
223.12263	2.0
227.04678	3.4
249.13922	1.5
283.11093	1.8
313.11871	6.4
369.18066	3.1
376.17474	1.5
403.19492	3.4
404.20224	1.7
406.17853	2.3
417.20569	2.0
418.21396	3.7
419.22678	2.2
431.18073	1.5
433.23883	4.8
447.17514	1.8
448.18997	2.2
449.19235	2.7
461.19461	3.5
462.20605	3.2
463.21387	14.3
471.17938	1.8
476.22003	2.1
477.18195	8.2
479.24008	2.0
487.21115	2.9
491.20099	2.0
491.24945	1.5
492.25836	1.8
495.91214	1.6
501.22809	9.5
502.23602	2.7
509.25281	2.2
519.23761	2.9
523.26410	1.7
533.25635	8.1
535.23462	4.5
536.23907	2.6
543.19049	4.3
547.23102	1.5
550.25482	4.4
551.26526	6.2
561.24493	3.4
565.28156	39.1
566.27783	2.9
578.25140	2.4
579.26105	6.4
583.29132	4.8
585.27197	2.8
593.27551	5.6
595.25214	4.3
599.25256	11.4
609.27271	13.3
611.28247	4.4
613.26556	9.0
614.26935	1.5
623.24823	5.7
637.26184	5.5
655.27478	100.0
656.28088	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	655.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67289	1.4
70.96003	2.5
78.62939	1.3
153.85165	1.6
198.69156	1.4
273.20166	1.4
334.26849	1.5
339.47073	1.7
458.92374	1.6
467.37253	1.4
485.33047	1.5
548.43439	1.4
625.29913	4.2
640.32178	3.3
655.34424	100.0
656.34631	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	655.369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12218	0.5
53.03845	0.5
55.05355	1.9
55.05659	2.0
57.03316	0.9
57.03559	0.8
57.06940	0.6
61.02790	1.0
61.03056	0.8
67.05329	3.1
67.05739	2.0
69.03253	3.3
69.03677	2.0
69.06890	8.8
69.07314	5.0
69.58035	1.7
71.04843	0.8
79.05293	1.8
79.05791	0.7
81.03214	1.6
81.06862	6.4
81.07395	2.4
83.01192	0.6
83.01621	0.5
83.08425	1.5
85.02702	5.8
85.03281	1.9
85.06377	0.9
85.06837	0.6
87.04311	0.5
91.05285	1.4
91.08377	0.4
93.06829	2.8
93.07460	0.6
95.04769	1.2
95.05294	0.4
95.08392	3.4
95.09057	0.8
97.02673	2.2
97.06373	0.9
97.06931	0.4
97.10000	1.0
98.23417	0.5
99.00601	2.2
99.04234	2.5
105.06810	2.0
107.04784	0.6
107.08358	2.7
107.09164	0.8
109.02735	0.9
109.06339	1.0
109.09927	5.1
109.10730	0.8
111.11483	1.7
112.75954	0.5
113.02214	0.6
119.08340	1.6
121.09922	1.7
123.07864	1.0
123.11465	1.5
125.05782	0.9
125.09444	0.7
127.03698	1.2
127.11033	0.7
131.08406	0.8
133.09903	1.0
133.10774	0.5
135.11436	1.3
137.05716	1.3
139.03741	0.7
139.07367	0.8
139.10976	0.5
145.09933	0.8
147.11446	1.2
149.02180	0.6
149.05746	0.8
149.09413	0.7
151.07277	1.4
153.05206	1.7
153.12637	0.5
155.06787	1.3
161.05820	0.9
161.12985	0.6
163.03632	1.6
163.07278	1.4
163.10997	0.6
165.08994	0.8
169.04755	0.6
175.07256	2.2
175.11000	0.6
177.05219	1.9
177.08856	1.2
179.10417	1.3
179.11871	0.5
181.04678	6.5
183.06488	4.0
189.09081	3.6
191.06712	1.7
191.10545	0.7
193.12057	1.0
195.06519	15.8
195.08136	0.7
203.10394	1.3
205.08362	0.9
207.06310	1.2
209.08064	8.6
217.08234	0.5
219.10052	0.6
221.08060	2.4
223.09627	9.4
229.12013	1.0
229.14041	0.5
231.13664	0.6
235.09686	2.6
237.11185	5.9
249.11292	2.8
251.12828	2.7
259.16611	0.6
261.10846	0.7
263.12537	1.7
265.14160	0.7
275.12555	0.5
285.18170	0.5
289.14267	1.1
291.15878	3.2
293.17325	1.0
303.15741	0.8
305.14389	0.6
305.17453	6.2
307.19052	3.3
315.15726	1.7
317.17303	0.6
319.18970	3.1
329.17230	0.7
333.16925	1.4
377.23233	3.1
417.26401	0.6
445.29214	2.0
457.29559	2.7
475.30609	16.6
476.30695	1.0
493.31567	100.0
494.32013	6.5
519.10907	0.5
587.14050	0.5
637.36108	0.8
655.26959	1.0
655.37103	16.6
656.37415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3692
Annotation	Cilistol p
Peak:m/z	Relative Intensity
50.20511	0.5
50.47213	0.5
53.03959	1.1
53.55183	0.5
55.01870	1.2
55.05512	5.0
57.03427	2.0
59.04992	0.5
61.02926	1.0
67.05502	8.3
69.03421	5.3
69.07066	8.1
71.05000	1.4
71.46524	0.7
73.02917	0.8
79.05489	3.8
81.03409	3.9
81.07057	11.8
83.01350	1.1
83.04980	1.2
83.08623	3.1
85.02905	9.5
85.06535	0.9
91.05474	3.1
93.07043	3.9
95.01325	1.0
95.04957	2.1
95.08595	6.3
97.02887	3.7
97.06513	1.1
97.10152	1.1
99.00806	3.7
99.04459	2.2
99.08125	1.2
105.07033	2.8
107.04935	0.7
107.08606	4.1
109.02890	1.2
109.06528	2.4
109.10148	8.2
111.08115	0.8
111.11772	0.6
113.02365	0.9
117.07013	0.8
119.08580	3.3
121.10155	2.4
123.04449	0.7
123.08058	1.2
123.11719	1.8
125.06052	1.1
125.09637	0.9
127.03896	1.4
129.07039	0.8
131.08546	1.3
133.06520	0.5
133.10118	2.6
135.04379	1.1
135.08015	0.8
135.11690	1.1
137.06009	1.6
137.09644	0.6
139.07529	0.9
139.11162	0.8
145.10083	0.7
147.11720	2.1
149.02332	1.1
149.05975	0.8
149.09621	0.7
151.07545	1.7
151.11191	0.7
153.05447	1.6
155.07057	1.7
159.11685	0.7
161.05998	1.5
161.13220	0.8
163.03915	0.9
163.07530	1.0
163.11237	1.2
163.38725	0.7
165.09106	1.3
175.07550	2.4
177.05510	1.3
177.09131	1.1
179.10709	1.6
181.04927	7.0
183.06561	3.0
189.09109	3.2
191.07028	0.9
191.10658	1.2
193.12219	1.8
195.06528	14.3
195.11713	0.6
203.10661	0.7
205.08615	0.8
205.12212	0.6
207.06537	1.5
207.13951	0.6
209.08107	7.1
221.08112	4.2
223.09648	10.3
229.14394	1.9
230.14644	1.1
235.09694	2.1
237.11194	7.6
249.11218	4.0
251.12756	2.8
263.12851	1.3
265.14478	0.6
267.15948	1.3
268.16327	1.4
269.15295	0.8
275.12604	0.6
283.15179	0.6
291.15863	1.5
293.17520	1.0
305.17557	1.7
315.16092	0.8
317.17581	1.1
319.19058	5.2
321.20605	0.6
329.17484	2.0
347.18423	2.6
347.57523	0.6
377.23358	1.3
421.25418	0.7
422.26166	1.3
445.29114	1.3
457.29633	3.5
475.30597	19.7
476.30872	1.3
493.31589	100.0
494.31903	7.2
637.34778	0.6
655.37012	17.2
656.36914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05508	4.8
57.03181	0.5
57.03440	4.0
57.07074	40.7
61.02925	13.2
61.03245	0.5
65.03967	0.4
65.64723	0.3
67.05503	11.1
68.05828	0.3
69.03433	1.3
69.07063	7.8
71.04979	0.3
71.08628	32.8
73.02913	5.0
75.04482	2.2
79.05480	0.8
81.03418	1.0
81.07051	15.7
83.08619	12.3
85.02901	14.6
85.06564	0.5
85.10178	17.9
87.04459	0.4
89.06041	1.1
91.03955	13.4
93.07062	0.7
95.08603	24.3
97.02885	6.8
97.10168	6.7
98.23405	0.8
99.04459	1.0
99.08092	0.3
99.11756	1.1
99.20255	0.3
103.03951	0.5
103.07595	1.0
109.10149	11.2
111.11700	1.7
113.13261	0.3
115.03944	0.9
121.10166	0.4
123.11709	5.1
125.02154	0.3
125.13299	1.1
127.03895	4.8
137.13226	1.8
145.04942	7.4
151.14856	1.0
152.62061	0.3
163.06017	11.1
165.16414	0.7
221.22711	1.2
239.23676	31.0
240.24017	0.6
250.01857	0.3
257.24783	4.6
298.27304	0.5
313.27344	100.0
314.27679	3.8
331.28403	19.8
332.28845	0.8
389.17508	0.4
401.17703	0.4
402.19019	0.4
403.19641	0.4
414.18570	0.5
416.19839	0.4
417.20959	0.6
431.22562	0.4
433.15997	0.4
443.18213	0.4
445.20203	0.4
447.22162	0.5
459.21829	0.5
461.19498	0.6
463.20859	0.4
475.21362	0.4
475.32693	0.7
477.18857	0.5
486.20523	0.4
487.21167	0.5
488.22113	0.4
489.19174	1.1
491.20895	1.0
499.21539	0.4
501.22693	1.0
517.21954	0.4
531.23901	0.4
533.25537	0.6
535.23431	0.5
549.24530	0.4
559.23395	1.6
560.23444	0.8
561.24817	1.5
563.22937	1.7
564.23334	2.1
577.24609	0.8
591.25934	0.5
593.27460	0.9
605.24194	1.6
619.25543	6.6
620.25238	0.8
637.26495	13.4
638.26581	2.3
655.27484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01870	3.2
55.05510	20.4
57.03440	2.7
59.05001	0.7
61.02929	2.3
65.03938	1.4
65.04258	0.4
67.05501	17.5
69.03427	3.4
69.07064	6.5
69.07436	0.5
70.59180	0.3
70.59549	0.6
71.04989	1.6
72.75324	0.3
73.02909	0.8
77.03917	0.6
79.05492	17.6
80.05850	0.5
81.03419	2.5
81.07055	15.8
83.04980	2.9
83.08617	12.6
85.02911	2.6
85.06541	0.9
91.03963	0.8
91.05478	16.7
92.05793	0.7
93.03403	0.5
93.07044	9.3
93.07610	0.7
95.04957	3.5
95.08604	5.7
96.05324	0.4
97.02890	1.4
97.06538	1.4
97.10166	21.5
99.08103	0.4
101.09666	0.6
103.05463	8.6
105.03401	0.7
105.04511	0.6
105.07024	13.8
107.04962	1.9
107.08591	10.8
108.05357	0.3
109.06516	1.3
109.10150	4.6
111.08075	1.4
115.05466	4.4
117.07015	28.8
119.04958	0.9
119.06149	0.4
119.08569	7.6
121.06504	2.3
121.10133	2.3
123.08070	1.4
123.11620	0.4
125.09627	19.1
126.09940	0.4
127.03927	0.7
128.06238	2.6
129.06998	12.0
130.07777	0.4
131.04955	1.1
131.08559	17.9
132.08902	0.5
133.06465	4.4
133.10097	3.1
134.10463	0.3
135.08040	4.4
135.11749	0.7
137.09615	0.8
141.06976	6.3
142.07814	1.0
143.04900	0.5
143.08574	6.3
143.10680	0.8
145.06477	6.3
145.10107	7.2
146.07124	0.4
147.08049	2.3
147.11688	1.0
149.09619	2.5
153.07042	0.7
153.09053	2.0
154.07753	0.9
155.08540	6.7
156.09326	1.0
157.06447	2.4
157.10121	2.9
159.08046	3.4
159.11720	2.7
161.05989	0.6
161.09612	0.9
163.11174	0.9
165.06992	0.6
166.07791	0.5
167.08554	2.3
168.09314	0.7
169.10135	5.7
171.07986	2.4
171.10243	0.8
171.11716	3.3
172.08661	0.4
173.05972	0.5
173.09619	1.2
173.13269	1.5
175.11205	0.7
179.08620	0.7
180.09248	0.4
181.10097	1.9
182.10988	0.6
183.08125	0.6
183.11674	1.1
185.09648	1.3
185.13222	2.4
187.11270	0.9
187.14803	6.0
187.16350	0.6
189.11212	7.9
189.12706	0.6
190.11497	0.4
193.10146	0.9
193.12170	0.4
195.08072	0.8
195.11732	1.8
197.09650	1.0
197.13237	8.4
199.11163	1.7
199.14864	0.6
203.14185	0.4
205.10181	0.7
207.11710	1.2
209.13290	1.4
211.14839	0.8
213.12675	2.7
215.14302	30.4
216.14621	1.1
217.12180	0.4
219.11671	1.0
221.13268	1.4
223.11153	1.5
223.14876	0.8
225.12776	0.6
225.16254	0.6
227.12718	13.4
228.13258	0.4
229.40422	0.4
231.13841	0.7
233.13319	0.5
233.15387	1.4
235.14806	0.5
237.12755	1.0
239.14462	0.5
241.12283	1.3
241.15944	0.6
243.13838	0.4
245.13704	2.0
249.12500	0.4
251.14349	0.7
253.15988	0.7
255.13824	0.8
257.15439	1.0
259.13312	0.8
267.15982	0.5
269.15302	0.9
271.16925	2.2
273.14850	0.8
275.16483	0.5
287.16467	1.0
289.17914	0.6
321.22028	1.0
324.59909	0.4
331.20694	0.5
339.23160	1.8
349.21579	4.1
357.00467	0.4
357.24234	0.7
367.22675	10.0
368.23209	0.6
385.23706	6.4
403.24844	2.8
414.48868	0.4
423.25345	0.8
431.27744	0.5
436.27420	0.5
441.26355	43.9
442.26770	3.9
459.27380	100.0
460.27725	8.3
462.29242	0.5
477.28470	10.6
478.29074	0.9
597.02985	0.5
603.31586	0.5
657.34937	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	656.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05256	1.6
55.05510	18.7
57.03433	2.3
59.05011	1.3
59.64123	0.7
61.02931	4.9
65.03947	0.9
67.05506	15.8
69.03435	3.8
69.07064	5.4
70.25950	1.9
71.05007	2.6
77.44647	0.9
78.09786	0.9
79.05491	15.0
80.05819	0.7
81.03428	2.9
81.07062	16.5
82.07420	1.0
83.04977	2.4
83.08624	9.8
85.02925	5.0
85.06539	2.1
91.03973	1.3
91.05482	12.4
93.07046	8.4
95.04963	3.1
95.05537	0.7
95.08608	4.5
97.02888	3.2
97.06541	1.3
97.10169	18.0
103.05446	2.0
105.07031	10.7
107.04977	2.8
107.08596	13.0
109.02798	1.2
109.06500	1.2
109.10146	6.7
111.08097	2.0
115.05408	1.2
117.06262	1.2
117.07024	9.1
119.08575	7.1
121.06475	2.1
121.10155	1.9
123.08052	1.5
125.09632	16.4
129.07002	6.2
131.04967	1.1
131.08575	10.2
133.06506	2.5
133.10143	3.5
135.08046	3.1
135.11699	1.4
135.95287	0.9
141.07002	1.7
143.08562	4.0
145.06509	4.2
145.10152	4.3
147.08058	1.6
147.11696	2.6
149.13252	1.0
153.09106	2.5
155.08560	3.7
157.06512	2.1
157.10144	1.4
159.08141	1.4
159.11700	1.4
161.06029	1.1
161.13255	1.1
167.08586	1.5
169.10170	3.3
171.08046	1.6
171.11685	2.1
173.11783	1.1
179.08582	1.0
181.10210	1.6
185.13251	1.9
187.14850	2.9
189.11232	6.5
195.11836	1.0
197.13280	3.6
199.11157	1.2
203.14362	1.1
213.12750	2.3
215.14235	7.8
219.11702	1.3
223.34694	0.9
227.12799	3.3
233.13266	1.2
233.15431	3.7
237.12866	1.1
241.12358	0.9
255.13861	1.1
273.14923	2.2
282.17755	0.9
289.17502	0.9
331.20639	0.9
339.23145	1.6
349.21814	1.7
367.22720	6.7
385.23740	5.1
403.24850	3.3
413.17752	3.6
441.26282	9.7
441.36960	0.9
449.28656	1.1
450.29285	3.2
459.27396	100.0
460.27783	7.4
476.30963	3.2
477.28494	29.1
478.28778	2.0
485.23355	1.2
494.32272	1.0
585.29065	2.8
603.32208	1.5
607.35718	0.9
657.34509	30.7
671.79297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	0.8
71.42786	0.7
77.28882	0.5
85.18861	0.6
92.45921	0.5
98.97561	1.1
139.03908	1.4
219.01868	0.7
237.02910	0.6
253.03761	0.6
325.08929	100.0
326.09256	2.1
355.09952	6.6
445.63782	0.7
446.75122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07471	2.7
60.26238	2.3
121.18334	2.7
245.08206	3.2
248.42889	2.8
565.27545	8.2
581.30176	4.1
595.32416	65.5
596.32001	3.9
639.30829	7.7
657.30457	100.0
658.30450	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	657.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01856	0.5
55.05518	1.6
56.13130	0.3
57.03431	2.0
59.04982	0.6
61.02921	4.1
65.03933	0.4
67.05503	7.5
69.03438	3.0
69.07064	1.0
69.18994	2.0
71.04993	3.1
79.05485	2.4
81.03420	2.0
81.07057	5.4
83.04974	0.9
83.08622	1.3
85.02908	4.7
85.06540	0.7
91.03961	3.0
91.05478	2.9
93.07040	2.9
95.04967	0.5
95.08603	1.6
97.02905	3.8
97.06535	1.0
97.10160	1.1
99.04483	0.7
101.02386	2.1
103.03944	0.4
103.05512	0.5
105.07037	1.1
107.04948	0.4
107.08607	2.2
109.02887	0.9
109.10153	6.8
109.10876	0.5
111.08089	0.7
115.03881	0.7
117.07053	1.2
119.08607	1.4
121.10159	1.1
123.11726	0.9
125.09656	0.6
127.03930	1.6
129.07016	0.7
131.08585	1.4
133.10124	2.4
135.08116	0.3
135.11687	0.7
137.09619	0.5
143.08672	0.4
145.04980	0.4
145.06496	0.4
149.13251	0.8
151.11205	0.9
155.10629	0.5
157.43004	0.4
159.11739	0.9
165.02621	0.3
173.11723	2.0
173.93744	0.3
183.13881	0.8
185.04265	0.7
187.13312	0.6
194.46504	0.3
195.09932	0.6
195.13835	0.5
207.13940	0.3
227.12959	0.4
229.14354	0.7
243.08345	2.5
257.17493	0.9
267.15814	1.5
269.17480	0.6
323.18591	0.5
368.22882	0.5
376.21625	0.4
404.24716	0.3
413.17844	8.7
413.73795	0.4
414.18124	0.5
442.26456	0.9
453.21182	0.5
459.27365	0.7
460.27719	2.9
477.28186	0.8
478.28854	1.0
485.23578	8.5
519.22064	0.3
657.34528	100.0
658.34894	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	657.385
Annotation	Russelioside C
Peak:m/z	Relative Intensity
55.01773	1.2
55.02022	0.7
55.05410	4.9
55.05704	1.3
57.03332	1.7
57.06966	1.4
59.04919	0.5
61.02829	1.4
61.03101	0.6
67.05389	6.0
67.05774	1.2
69.03315	5.2
69.03717	0.9
69.06954	13.9
69.07372	2.4
70.35110	0.9
71.04900	0.9
72.97165	0.4
79.05367	4.2
81.03287	2.9
81.06933	19.0
81.07465	2.7
83.01221	1.6
83.01693	0.6
83.04889	1.0
83.08501	3.2
85.02776	12.0
85.03336	1.5
85.06410	2.8
87.04369	0.9
87.70628	0.4
91.05354	2.1
93.06916	6.2
93.07542	0.7
95.01228	0.7
95.04839	1.5
95.08472	13.8
95.09127	1.3
97.02757	4.3
97.06437	0.7
97.10041	1.2
97.10597	0.4
99.00682	5.4
99.04321	3.8
99.07967	0.8
105.04398	0.4
105.06887	1.6
107.08446	6.0
109.02744	2.3
109.06409	1.0
109.10012	8.9
111.07980	1.2
111.11633	1.1
113.02244	1.2
117.01674	0.5
117.06901	0.9
119.08479	1.1
121.06390	0.8
121.10143	3.3
123.04322	0.7
123.11703	3.3
125.05876	0.9
125.09512	0.6
127.03910	2.8
131.08449	0.9
133.06416	0.5
133.10048	0.5
135.04323	0.8
135.07857	1.2
135.11681	3.0
137.05817	1.4
137.13097	0.9
139.07399	0.7
139.11092	0.6
140.21423	0.4
143.08481	0.6
145.04906	0.9
145.09966	1.2
147.11505	0.5
149.02202	0.6
149.05852	1.5
149.09506	0.6
149.13091	1.7
151.07368	2.7
153.05444	2.4
155.06886	1.6
157.06392	0.5
157.69312	0.4
161.05844	1.6
163.03761	1.8
163.07535	2.3
165.08969	1.4
171.07896	0.7
175.07553	2.3
175.11035	0.7
177.05482	4.6
177.08955	2.0
177.10329	0.5
179.10524	1.5
181.04955	12.3
183.06519	6.1
189.09116	8.8
190.51852	0.5
191.06902	1.1
191.10516	1.2
195.06525	33.7
199.05899	0.5
201.08926	0.7
203.10516	1.3
205.08456	1.3
205.12100	0.7
205.19388	0.5
207.06502	2.7
209.08070	16.1
215.10539	0.6
221.08038	2.4
223.09639	23.0
224.09868	0.8
231.13606	0.8
235.09683	3.2
237.11217	18.7
238.11472	0.9
243.13742	0.6
245.15268	0.7
247.09579	0.8
249.08865	0.7
249.11226	8.8
251.12788	5.8
256.67871	0.4
256.71420	0.4
257.15292	0.8
261.11115	1.8
263.12854	3.1
265.14319	2.2
268.20645	0.4
273.18311	0.7
275.12750	0.8
277.14230	1.7
279.15744	0.5
289.14252	1.0
291.15796	3.0
293.17291	1.4
303.15790	1.8
305.17465	2.4
307.18991	6.4
317.17487	7.4
319.18933	3.0
321.20721	1.0
329.17648	0.5
331.18900	1.0
335.18527	4.8
349.20047	0.6
361.23639	1.2
375.25244	0.8
395.61963	0.5
441.30139	1.4
447.30679	0.6
459.31110	17.9
460.31253	1.3
477.32111	54.3
478.32660	2.7
495.33163	100.0
496.33444	5.3
639.37683	0.9
656.85461	0.6
657.29236	1.0
657.38507	26.3
658.38916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.05260	0.5
55.05510	6.1
57.03435	2.1
57.07071	1.4
59.05011	1.2
61.02930	2.7
67.05505	5.4
69.03429	9.3
69.07067	19.7
69.80419	1.0
69.80784	1.3
71.04997	1.4
79.05508	2.5
81.03420	4.9
81.07054	10.7
82.03754	0.5
83.01338	1.1
83.08627	2.8
85.02899	18.3
85.03418	0.9
85.06542	2.2
86.03242	1.2
87.00837	2.7
87.04494	1.2
91.03934	0.7
91.05480	5.1
92.05830	1.1
93.07039	5.6
95.01314	0.7
95.04972	0.7
95.08595	8.1
97.02893	7.5
97.06540	2.2
97.10155	1.6
98.03226	0.7
99.00818	4.3
99.04453	3.7
99.08063	0.7
105.01860	4.9
105.07038	2.6
107.04946	1.4
107.08595	4.6
109.02869	4.2
109.10154	5.6
110.03263	0.6
111.04436	0.5
111.08075	0.8
111.11714	1.4
113.02381	1.4
117.01829	0.8
119.08625	1.2
121.10117	3.6
123.08067	0.8
123.11720	1.8
125.05957	0.9
127.03900	7.5
128.04269	1.6
131.08598	0.6
133.06512	0.6
133.10165	0.6
135.04443	0.6
135.08118	1.3
135.11697	3.1
137.05984	1.7
137.13263	0.7
139.07545	0.7
139.11218	1.2
143.08591	0.7
145.04953	2.4
145.10135	1.3
147.11652	0.8
149.05989	0.9
149.09618	1.1
149.13309	1.9
151.03743	0.6
151.07541	1.9
153.05458	1.6
155.07043	1.6
159.02936	0.6
161.05960	0.9
163.03940	1.3
163.07516	1.5
163.11070	0.6
163.14832	0.5
165.09113	0.6
167.14308	0.8
175.07584	1.6
177.05449	1.9
177.09163	1.5
179.10681	1.2
181.04944	9.5
183.06503	3.3
189.09077	3.9
191.07002	1.4
191.10669	0.9
193.12251	1.1
195.06522	21.5
196.06860	0.6
203.10716	1.3
205.08601	1.2
207.06497	0.9
209.08072	9.8
221.08134	1.4
223.09653	13.0
227.18069	0.6
231.04968	1.5
232.05368	0.8
235.09714	2.2
237.11185	12.8
244.31778	0.5
249.11223	5.3
251.12813	6.3
261.11243	0.7
263.12814	2.0
265.14328	1.2
277.14413	0.9
279.16013	0.6
291.16003	1.1
293.17426	3.1
303.16061	0.5
305.17548	2.0
307.19107	1.7
317.17480	1.8
319.19034	2.3
321.20499	3.1
375.25311	0.6
415.32388	0.8
441.29916	1.8
459.31073	26.5
460.31656	1.5
477.32117	100.0
478.32510	4.1
495.33176	18.5
496.33755	1.1
621.35852	1.7
639.37323	4.0
657.38617	16.1
658.38818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.2
52.03164	0.3
53.03944	0.2
55.01871	0.6
57.03431	0.2
61.02923	0.3
64.07752	0.2
65.03945	1.1
67.05511	1.0
69.03419	0.7
70.06609	0.3
71.42466	0.2
79.05492	0.2
80.02650	0.2
81.03422	0.4
85.02901	3.3
86.09689	0.6
91.05479	0.5
93.03391	0.2
95.04968	0.7
97.02869	0.6
103.03931	0.4
107.04920	0.3
108.02073	1.6
109.02859	0.5
111.04443	0.7
117.03374	0.3
121.04006	0.2
123.04440	0.4
124.53305	0.2
125.05981	0.2
127.03923	0.6
131.04977	0.2
133.02869	0.8
134.81442	0.2
135.04445	0.2
136.01556	0.5
137.05991	0.6
141.05475	1.6
145.02829	0.8
145.04938	0.4
147.04408	0.7
149.02364	0.4
149.05966	0.3
150.03102	1.2
151.03906	100.0
151.04977	7.3
152.04233	2.1
152.05341	0.2
153.05482	0.3
154.19568	0.2
159.04283	0.4
161.05986	0.2
165.05478	0.3
166.02643	0.4
169.04987	0.6
175.03929	0.4
177.01859	1.9
177.05447	3.0
179.03293	0.2
181.04945	4.0
181.06419	0.3
187.03969	0.4
191.03381	1.0
193.05005	0.3
194.02100	1.8
195.02945	0.3
196.75693	0.2
197.04367	0.4
199.03944	0.4
201.05482	0.8
204.04285	0.2
205.04965	0.9
209.04453	18.5
210.04697	0.5
211.06035	1.4
215.03419	0.3
219.02994	0.2
219.06593	0.5
221.04466	0.7
223.06107	0.3
229.04996	0.2
233.04475	1.0
247.05966	1.1
251.05472	1.7
253.07054	2.1
257.04337	0.3
258.07761	0.2
260.03189	0.3
261.86972	0.2
263.05508	0.8
271.08142	0.2
275.05447	3.1
279.11716	0.2
293.06570	3.5
299.14850	0.5
311.07602	1.0
320.67978	0.2
320.72757	0.2
337.10645	0.4
355.11752	0.3
374.96082	0.2
425.17661	0.3
443.19424	0.2
461.10538	0.2
465.36661	0.2
479.11771	3.6
480.12180	0.4
576.71497	0.2
658.22339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20551	1.9
55.40358	1.8
70.90113	1.9
74.31387	1.9
85.02926	2.8
88.44231	2.1
89.03896	9.9
91.05470	15.0
95.01306	2.8
105.03396	3.1
105.07027	2.8
117.03381	33.1
119.04955	22.0
123.04446	2.5
128.31316	1.9
131.04865	3.2
133.02844	33.8
133.03775	3.7
133.06483	2.5
135.04399	5.4
137.05969	33.5
139.03889	2.3
141.01778	2.4
145.01678	4.9
145.02838	82.7
145.06580	2.4
147.04396	18.9
149.05977	26.5
150.06738	6.9
151.03935	4.1
151.07567	3.3
161.05980	13.5
162.06769	12.8
162.89803	1.9
165.05475	6.0
173.05934	4.8
175.03894	24.2
177.05472	91.2
179.07037	13.3
180.07654	2.2
186.03114	5.6
189.05464	2.9
201.05446	72.0
203.07011	2.2
213.05460	3.4
231.06551	5.2
233.05962	6.9
234.06712	3.2
239.96288	2.1
249.09186	2.9
250.06102	2.5
261.05368	2.3
262.06079	4.0
265.08563	6.4
267.08701	4.5
277.08545	4.9
281.10165	4.9
290.05701	3.3
292.07260	2.9
293.08038	6.3
305.07910	9.6
307.09558	8.0
325.10703	64.9
337.10699	21.6
355.11752	100.0
356.12222	4.0
373.12790	2.6
595.81525	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	658.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20551	1.9
55.40358	1.8
70.90113	1.9
74.31387	1.9
85.02926	2.8
88.44231	2.1
89.03896	9.9
91.05470	15.0
95.01306	2.8
105.03396	3.1
105.07027	2.8
117.03381	33.1
119.04955	22.0
123.04446	2.5
128.31316	1.9
131.04865	3.2
133.02844	33.8
133.03775	3.7
133.06483	2.5
135.04399	5.4
137.05969	33.5
139.03889	2.3
141.01778	2.4
145.01678	4.9
145.02838	82.7
145.06580	2.4
147.04396	18.9
149.05977	26.5
150.06738	6.9
151.03935	4.1
151.07567	3.3
161.05980	13.5
162.06769	12.8
162.89803	1.9
165.05475	6.0
173.05934	4.8
175.03894	24.2
177.05472	91.2
179.07037	13.3
180.07654	2.2
186.03114	5.6
189.05464	2.9
201.05446	72.0
203.07011	2.2
213.05460	3.4
231.06551	5.2
233.05962	6.9
234.06712	3.2
239.96288	2.1
249.09186	2.9
250.06102	2.5
261.05368	2.3
262.06079	4.0
265.08563	6.4
267.08701	4.5
277.08545	4.9
281.10165	4.9
290.05701	3.3
292.07260	2.9
293.08038	6.3
305.07910	9.6
307.09558	8.0
325.10703	64.9
337.10699	21.6
355.11752	100.0
356.12222	4.0
373.12790	2.6
595.81525	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	658.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50074	1.1
55.01877	2.7
55.05518	10.4
57.03430	5.0
61.02935	5.8
67.05510	19.0
68.31324	1.2
69.03436	2.5
69.07075	8.7
69.33144	5.9
71.04980	1.5
73.02920	2.3
79.05498	17.8
81.03421	3.6
81.07052	20.9
82.07330	1.4
83.04993	3.7
83.08617	9.3
85.02903	6.5
89.80475	1.5
91.03957	3.9
91.05479	23.5
93.07043	19.6
94.41286	1.2
95.04971	4.8
95.08611	13.0
97.02889	4.5
97.06533	4.0
97.10162	4.3
105.04527	1.7
105.07037	18.7
107.04966	3.0
107.08587	8.9
109.06519	4.1
109.10162	4.6
117.07015	15.6
119.04888	1.2
119.08559	10.7
121.06520	4.2
121.10184	5.9
123.08039	2.0
125.09634	3.5
127.03972	1.8
128.06213	3.1
129.07004	18.3
129.52011	1.5
131.04964	1.2
131.08559	20.8
131.49014	1.2
133.06493	4.6
133.10123	8.6
135.08054	4.1
135.11676	2.9
137.09634	3.5
141.07010	6.8
143.08556	13.2
145.06477	6.0
145.10150	8.4
147.08072	4.8
147.11737	3.7
149.09601	3.0
151.11136	1.9
155.08559	11.3
157.10112	8.5
159.08067	3.1
159.11662	6.0
161.09642	1.7
165.07007	1.2
167.08560	4.7
169.10109	7.9
171.08124	2.6
171.11655	6.5
171.97850	1.2
173.09605	1.5
173.13269	2.8
175.11244	2.1
177.12813	1.7
179.08664	1.5
181.10143	4.7
183.11671	6.2
185.09666	1.5
185.13293	6.0
189.11189	1.3
195.11693	5.5
197.09645	1.1
197.13248	4.1
199.11195	1.6
199.14743	2.2
201.12880	1.4
207.11719	3.5
209.13275	4.0
211.11200	1.7
211.14830	2.1
213.12677	2.7
213.16417	2.0
215.14265	2.0
221.13257	5.0
223.14828	2.8
225.12756	1.7
231.13945	1.8
233.13264	1.4
235.14832	2.9
239.14354	2.3
253.16040	1.6
254.36470	1.5
257.15445	1.5
271.16870	2.8
289.17773	1.3
301.29688	1.4
323.23856	2.9
333.22122	3.8
341.24808	4.7
351.23178	13.3
369.24304	14.1
387.25290	12.4
425.26843	3.8
433.29434	1.5
443.27908	100.0
444.28290	7.5
461.28970	89.9
462.29227	5.5
503.29877	2.6
605.32874	1.5
623.34100	6.3
624.14246	1.3
658.34644	10.8
659.32281	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	658.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05514	9.4
57.03427	4.8
61.02929	2.1
67.05164	1.7
67.05508	28.3
69.03423	1.6
69.07070	8.3
69.26402	5.4
71.01359	1.6
71.04994	2.5
79.05494	30.1
81.03403	6.2
81.07056	25.8
82.07366	1.3
83.04971	8.8
83.08613	4.3
85.02908	2.0
85.06532	2.3
87.28500	1.0
91.05475	23.0
93.07044	37.5
95.04955	8.6
95.08604	10.7
97.02905	1.6
97.06513	5.0
97.10175	5.0
105.04523	1.4
105.07019	15.4
107.04942	2.8
107.08580	14.8
109.06528	3.0
109.10172	4.3
110.63696	1.1
115.67022	1.0
117.07011	3.0
119.08600	10.6
121.06508	1.6
121.10142	4.4
123.08064	2.1
129.07001	6.0
131.08595	2.4
133.10126	5.1
135.11691	15.8
143.08563	3.5
145.10112	6.6
147.11668	9.6
161.09618	2.0
161.13263	3.9
163.11186	2.7
171.11682	7.2
177.12773	1.1
181.12280	1.9
189.12744	2.8
193.12184	1.4
203.12842	1.3
207.13829	7.5
217.68573	1.0
255.15901	25.4
267.15826	2.9
269.17435	1.8
281.17480	20.5
443.27744	2.8
461.28961	100.0
462.29752	6.0
464.30530	1.3
479.29752	2.0
580.09015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44759	0.9
51.52907	0.8
53.03949	2.1
55.01884	2.1
55.05508	8.4
57.03436	12.1
57.07072	6.4
61.02925	4.9
65.03920	2.0
67.05502	30.9
69.03436	1.9
69.07071	11.0
70.06588	4.7
71.04994	2.7
71.08633	2.9
73.02940	2.1
79.05491	21.2
80.07186	0.7
81.03416	45.6
81.07055	42.0
83.04967	4.5
83.08618	17.5
83.43651	1.2
85.02898	4.5
85.06538	2.0
85.10172	1.7
88.07631	6.0
91.03944	2.0
91.05477	16.2
93.07040	28.6
93.07606	1.7
95.04969	17.6
95.05542	1.6
95.08601	12.3
97.02899	3.6
97.06535	4.6
97.10168	2.1
97.73398	0.8
99.08111	1.6
101.06028	1.0
102.09175	6.3
105.07024	9.6
107.04926	4.3
107.08592	15.0
109.06498	2.1
109.10165	3.8
111.08084	7.0
113.05975	0.9
115.05475	1.6
117.06989	5.0
119.08601	8.5
121.06535	2.7
121.10146	12.1
123.11696	1.5
129.07005	6.0
131.08545	7.8
133.06516	1.1
133.10121	5.1
135.08017	1.1
135.11697	5.2
139.11209	1.7
142.07785	1.1
145.04924	1.1
145.10175	1.2
147.08092	1.9
147.11685	5.2
149.02338	11.4
149.03421	1.3
149.09596	4.3
149.13246	15.2
157.10139	6.3
159.11684	6.8
163.05995	1.8
165.12831	1.0
175.11197	7.4
177.12747	2.6
193.04964	11.9
193.12222	11.5
195.13782	5.1
211.13387	1.1
225.22166	2.0
237.07550	4.7
237.14822	1.0
243.23190	0.9
245.31818	0.9
253.46956	0.9
256.26331	13.7
267.15884	54.8
268.16269	1.8
269.17471	62.3
270.18097	1.1
292.95059	0.9
299.25793	9.4
309.16959	1.2
313.07346	1.0
317.26959	3.5
341.06604	2.4
359.07510	2.1
385.09158	4.6
417.26181	1.3
420.61118	1.0
429.11676	7.3
435.27301	4.9
461.28949	100.0
462.29251	5.0
479.30746	1.3
503.29865	2.7
557.30701	1.0
569.31152	1.3
598.23773	1.1
658.35736	35.0
659.36127	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	659.2266
Annotation	Sorocein B
Peak:m/z	Relative Intensity
60.32080	7.5
64.21613	7.9
65.33789	7.6
69.07589	56.8
74.91580	7.1
84.48165	7.7
137.09015	8.3
145.49422	8.1
161.17323	7.4
161.25578	7.9
493.41074	8.4
659.22760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.8
82.77483	0.5
85.02922	0.7
93.07026	0.5
95.04963	4.2
99.04493	0.6
105.06984	0.6
107.08624	0.6
109.02885	0.7
109.91203	0.5
119.08563	0.6
123.53479	0.5
127.03953	0.6
128.69278	0.6
135.08034	0.6
137.05977	0.8
145.02821	0.6
151.03899	1.0
177.05487	1.3
191.14340	1.0
201.03574	0.6
203.05379	1.3
205.04791	0.8
245.06139	0.7
273.13232	0.6
289.02524	0.5
289.05280	3.0
291.14606	0.6
393.18854	4.7
411.19827	3.3
435.19788	3.4
437.21710	0.8
439.19400	0.8
453.20453	1.1
479.18988	2.4
573.25171	10.6
615.26215	34.5
616.27179	1.1
641.23828	0.8
641.68872	0.6
659.25165	100.0
660.25427	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	659.3252
Annotation	Ajugaside A
Peak:m/z	Relative Intensity
55.01871	0.7
57.03438	1.4
61.02927	3.7
67.05502	6.7
69.03434	2.7
69.07079	1.4
69.58897	1.9
71.04977	1.2
73.02918	2.3
78.58660	0.6
79.05491	2.3
81.03419	2.8
81.07055	3.6
83.05013	1.0
83.08611	0.9
85.02901	5.2
91.03954	3.1
91.05489	1.9
93.07056	2.8
95.04951	1.2
95.08629	2.1
97.02884	2.9
97.06539	0.9
97.10178	0.7
99.04431	0.6
101.02389	1.5
105.07027	1.1
107.08610	1.0
109.10158	6.0
118.40696	0.6
119.08585	1.5
121.10169	2.7
123.11776	0.7
127.03960	2.1
129.07002	0.8
130.06529	0.8
131.08592	1.2
133.10170	1.4
137.05966	0.7
137.09642	0.8
139.11125	0.7
147.11739	2.0
149.09616	1.3
163.07515	0.8
173.11755	2.3
184.07420	2.5
193.12260	1.5
195.09998	0.7
206.92894	0.7
211.13272	0.9
229.14407	1.3
243.08514	1.7
243.16168	0.7
267.15994	1.3
269.13730	1.7
413.17847	12.9
414.18573	0.6
429.47150	0.7
443.18887	5.7
444.19257	0.7
461.28705	0.8
462.29520	0.7
469.20709	2.0
479.29797	0.8
487.21582	4.8
531.95697	0.7
615.30054	3.4
641.31354	2.4
659.32495	100.0
660.32806	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	660.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05515	4.0
57.03444	4.3
57.07069	0.7
59.04998	0.8
61.02932	7.0
67.05509	19.6
69.03442	1.4
69.07070	3.7
69.33002	2.0
71.05000	4.5
73.02906	2.8
79.05495	6.4
81.03411	1.4
81.07060	32.5
82.07386	0.5
83.04983	1.7
83.08615	4.0
85.02913	8.6
85.06553	4.8
90.81232	0.4
91.03965	6.2
91.05481	6.0
93.06452	0.8
93.07045	12.5
95.04965	1.1
95.08607	4.3
97.02901	4.4
97.06539	3.5
97.10168	0.9
99.04474	0.9
99.08115	2.2
99.08642	0.4
103.03936	0.8
105.07046	2.3
107.08584	5.4
109.02873	0.5
109.06509	0.7
109.10173	2.0
111.08087	1.7
115.03911	0.4
115.34594	0.4
117.07018	2.8
119.08593	1.0
121.06483	0.4
121.10145	2.9
123.04389	0.5
123.08092	0.6
123.11707	4.9
127.03913	2.3
129.05481	0.4
131.08577	3.3
133.10135	7.1
135.08080	0.6
135.11691	2.9
139.07710	0.4
145.04980	2.8
145.10103	0.6
147.11717	0.6
149.09587	0.5
149.13274	8.4
151.11203	2.6
153.05429	0.5
159.11702	13.1
161.13281	3.9
163.06023	4.7
163.64992	0.4
169.12259	0.8
173.04440	0.6
177.12747	15.1
178.13208	0.5
179.12840	0.6
179.14325	8.5
181.49521	0.4
187.13266	4.4
195.13857	2.8
203.09438	0.4
219.10100	0.4
233.15352	2.0
243.15935	30.3
244.16182	0.7
251.16434	5.4
257.17520	0.6
269.17487	100.0
270.17844	3.7
301.20105	24.2
302.20395	0.9
336.13205	0.4
395.20749	0.5
413.21860	0.6
431.22690	1.0
445.24478	1.9
463.25400	0.6
660.32751	2.4
661.30481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01875	0.6
55.05510	4.4
57.03189	0.5
57.03440	5.4
57.07062	0.8
59.04997	0.7
61.02641	0.5
61.02925	7.5
62.57077	0.4
65.03928	0.8
67.05503	27.0
68.05827	0.6
69.03425	1.7
69.07071	4.2
69.60165	1.6
71.04632	0.6
71.04990	7.7
71.05361	0.9
73.02919	2.3
79.05037	0.6
79.05492	8.2
81.03429	1.9
81.07055	39.6
82.07359	0.4
83.05007	1.9
83.08622	4.8
84.84588	0.4
85.02412	0.6
85.02901	9.7
85.06541	5.0
91.03947	5.9
91.04937	0.8
91.05477	10.0
92.26932	0.5
93.07042	17.9
95.04964	2.5
95.08594	6.3
97.02893	4.7
97.06535	4.9
97.10154	1.0
99.04413	0.8
99.08089	1.8
103.03942	0.9
105.07020	4.1
107.08592	7.2
109.02873	0.6
109.06496	1.3
109.09483	0.6
109.10159	3.1
111.08077	2.3
115.03904	0.4
117.07012	4.7
119.08589	0.8
121.10133	3.3
123.08045	0.4
123.10889	0.5
123.11707	5.6
125.09661	0.7
127.03922	3.2
131.08578	5.2
133.10124	9.7
135.08067	0.7
135.11702	3.8
139.03821	1.0
139.11191	0.5
145.04979	2.9
149.13246	12.0
151.03841	0.4
151.11183	4.7
159.11685	21.7
160.12019	0.6
161.13261	2.1
163.06039	3.8
169.12268	0.9
173.04417	0.8
177.12740	23.8
178.13023	0.7
179.14326	5.4
183.13844	0.4
187.13303	5.3
195.13794	5.5
213.14821	0.9
215.14444	0.5
233.15361	0.9
240.07953	0.5
243.15904	26.1
251.16379	8.7
257.17426	1.2
269.17456	100.0
270.17859	3.6
299.09119	2.5
301.20074	22.0
302.20465	1.2
311.09390	0.7
318.24045	0.4
369.19031	0.5
387.20129	0.8
395.20258	0.6
413.21704	1.2
431.22772	0.6
442.97888	0.4
445.24326	17.2
446.24689	0.8
463.25089	1.4
512.91431	0.5
607.29376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.05509	6.9
57.03424	2.9
61.02907	2.5
65.03941	1.7
67.05166	1.7
67.05505	28.6
67.65528	1.4
69.07059	7.2
71.04984	1.6
79.05491	19.7
81.03406	2.9
81.07059	36.0
83.04970	2.9
83.08607	8.5
85.02891	2.8
85.06541	1.8
91.05458	11.0
93.07037	25.1
95.04984	3.5
95.08592	11.9
97.02928	1.7
97.06512	4.2
97.10155	2.1
105.07034	6.1
107.08588	15.0
109.10156	3.1
111.08093	2.0
117.07016	6.0
119.08591	3.4
121.10123	9.0
123.11709	2.1
129.07019	1.7
131.08557	7.1
133.10101	8.1
135.08003	1.6
135.11671	6.5
143.08537	2.3
145.10159	3.0
149.13260	13.1
155.08597	1.6
157.10220	1.5
159.11734	4.7
177.12767	1.9
184.07559	1.3
193.05058	1.8
195.13780	7.1
200.64920	1.4
200.88397	1.3
237.07507	3.4
251.16345	2.3
269.17447	25.2
353.24710	2.1
445.29523	15.2
463.30527	100.0
464.30807	4.9
546.82758	1.6
607.34613	4.6
661.15582	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	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
57.02843	1.9
57.03436	7.5
59.85059	2.1
61.02937	2.4
65.76148	2.0
67.05503	31.1
69.00326	2.0
69.07059	9.5
69.81355	3.2
69.81753	6.1
70.52531	2.1
71.05009	2.6
74.65771	2.1
79.05483	19.4
81.07053	39.9
83.04971	3.7
83.08606	6.0
85.02904	3.2
90.12478	1.9
91.05486	13.2
91.93191	2.3
93.07039	29.7
95.04964	3.9
95.08625	11.2
97.06548	3.7
98.22841	3.6
105.07066	5.6
107.08617	13.5
109.10082	2.3
111.08084	2.7
117.07032	7.3
121.10159	6.5
129.07037	2.5
131.08586	6.6
133.10133	7.1
135.11646	5.0
140.54062	2.0
149.13257	13.6
153.90727	2.0
159.11685	6.0
195.13791	5.0
207.18779	2.0
251.16248	2.9
269.17480	26.6
421.95593	2.3
445.29578	14.3
463.30527	100.0
464.30716	7.1
607.34583	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	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55359	0.6
55.01876	1.5
55.05519	6.2
57.03435	6.4
57.07077	1.5
61.02923	1.3
65.03938	1.4
67.05505	34.5
69.07067	12.6
71.01350	1.0
71.05000	1.4
73.02911	1.2
79.05498	18.1
81.03420	1.6
81.07057	44.2
83.04992	4.5
83.08630	7.7
85.02912	0.7
85.06546	3.0
91.05479	8.3
93.07047	37.8
95.04980	3.6
95.08604	11.7
97.02928	1.0
97.06532	7.3
99.08121	1.9
105.04535	1.0
105.07048	2.9
106.57765	0.7
107.08596	20.5
109.06524	1.9
109.10174	1.8
111.08087	4.7
113.05973	0.7
117.07018	4.8
119.00492	0.8
119.06087	0.8
119.08623	1.3
121.10137	11.0
123.11664	1.6
131.08554	6.1
133.10130	3.4
135.11688	5.4
139.11212	1.0
144.24509	0.7
147.11691	0.9
149.13252	21.9
150.13649	1.0
153.63094	0.7
159.11682	8.0
177.12735	4.9
180.95808	0.6
191.04773	0.7
195.13841	7.1
195.42549	0.7
251.16446	0.8
269.17480	58.7
269.58575	0.7
270.17865	2.8
463.30545	100.0
464.30896	7.8
619.19366	0.8
660.35663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09839	0.5
55.05510	1.1
57.03429	0.9
64.28446	0.4
67.05518	3.0
69.07051	1.1
69.20861	2.6
71.04971	0.6
79.05484	2.9
81.03417	2.3
81.07059	2.3
83.05001	0.9
83.08619	1.2
85.02901	0.8
91.05476	1.5
93.07054	2.6
95.04980	1.3
95.08601	1.7
97.06505	1.0
97.10162	0.8
98.23418	1.1
105.07026	0.9
107.08589	1.7
111.08111	0.5
117.06973	0.5
119.08576	1.3
121.10181	0.8
123.11665	0.6
131.08575	1.3
133.10129	0.9
135.11674	2.1
145.10092	0.6
147.11671	0.6
157.10109	0.6
161.81860	0.5
175.11188	0.6
193.12242	1.6
211.13287	1.9
220.62431	0.5
255.15926	5.6
267.16064	1.0
269.17554	0.6
285.16916	1.7
374.14700	0.7
387.14542	1.6
388.15659	1.8
389.16238	1.1
392.15955	1.8
401.16168	3.4
402.17001	0.9
403.17755	1.2
404.18356	1.5
405.15564	0.6
415.13672	2.0
415.18283	5.6
416.14368	4.9
417.19305	1.6
418.11578	0.7
419.17322	2.4
421.19284	0.6
428.14786	1.5
429.15634	9.5
430.16180	4.7
431.17276	28.0
432.17856	3.5
433.18765	1.1
442.12732	2.2
443.13004	4.7
443.17374	6.7
444.18613	8.8
445.18405	1.6
446.29849	1.2
447.16684	0.9
447.27393	2.2
456.14328	1.5
457.14948	30.7
458.15152	4.3
459.16507	1.0
461.18140	1.3
462.19193	1.0
463.30573	2.3
464.30859	2.5
465.28384	6.3
471.16666	10.5
472.17465	18.7
473.18466	3.7
474.15106	1.1
475.20377	5.0
476.20145	0.6
485.13651	0.7
488.16830	2.9
489.17545	2.5
496.17368	0.6
497.17850	1.6
499.16202	1.8
500.17059	1.9
503.19223	3.6
504.19803	2.4
517.21088	3.4
518.21240	0.7
524.17053	0.6
531.19159	2.4
531.21143	2.3
543.18890	1.0
556.19458	0.7
558.21228	4.8
559.22015	2.4
560.22504	1.8
562.20532	0.8
586.20166	0.9
587.21466	2.0
590.23834	6.5
591.23865	1.5
597.19824	1.0
618.23242	35.2
619.23920	31.6
620.24341	3.3
629.22467	5.3
630.22644	1.1
661.24786	100.0
662.25226	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	661.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12170	0.6
51.64425	0.6
67.05490	1.4
69.03443	0.7
69.25001	4.1
81.07046	1.0
95.08544	0.6
96.71775	0.6
96.80702	0.6
106.54988	0.8
107.08604	0.9
109.10220	1.0
109.25648	0.8
137.06006	0.7
139.03934	2.0
147.87981	0.7
149.09602	0.8
149.88899	0.8
163.07530	0.7
184.07384	1.4
194.08141	1.6
235.08684	0.8
237.10234	0.8
249.10199	6.1
250.11099	2.5
251.11804	2.6
261.64130	0.8
265.09753	7.2
277.09778	3.2
278.10526	4.7
279.07700	9.6
279.11292	9.3
280.12009	1.7
282.09882	1.1
293.09406	1.8
293.12750	9.6
305.09152	1.9
306.09958	1.5
307.10739	2.4
309.12299	1.7
310.09665	1.2
311.10324	6.3
311.13535	1.3
323.10376	1.2
324.11148	1.9
325.11874	4.4
333.08749	1.7
339.13425	28.4
340.13837	1.4
342.12338	1.4
351.09695	4.5
352.10690	2.2
353.15018	2.7
354.12292	1.7
355.12933	1.3
366.12094	4.9
367.12851	6.8
368.13663	1.0
369.14456	3.0
383.12280	0.9
384.13208	3.1
398.14868	3.4
398.19299	1.1
399.15524	100.0
400.15897	4.0
401.13730	0.9
430.18134	0.8
457.16385	2.6
458.17087	1.7
488.17816	1.2
489.18826	8.7
490.19763	2.1
506.19226	1.0
507.19620	1.1
538.21899	21.0
539.22504	8.0
540.22656	1.0
597.23370	2.2
629.26233	3.6
661.33386	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	661.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55022	0.2
55.05513	0.5
55.15441	0.2
57.03445	0.3
65.87393	0.3
67.05493	1.1
69.07065	0.3
69.16884	1.3
73.02895	0.3
79.05499	1.0
81.07052	1.2
81.64991	0.2
82.07410	0.3
83.08627	0.3
85.02922	0.4
91.05473	0.7
91.14919	0.2
93.07052	1.1
95.08617	0.5
97.02907	0.3
97.06559	0.3
97.77180	0.2
98.23450	0.5
105.07046	0.3
107.08609	0.7
109.10194	0.3
115.59327	0.2
117.07043	0.4
133.10138	0.3
135.11722	0.4
136.11987	0.3
145.10153	0.3
185.04214	0.4
193.12178	0.2
203.05383	0.3
227.12897	0.4
239.19446	0.2
243.08521	1.0
255.15948	0.5
283.15552	0.3
413.22702	0.3
425.22955	0.4
443.24051	3.5
443.29959	0.4
444.24487	0.5
463.30530	0.5
464.31845	1.7
465.28491	0.8
471.27197	0.7
481.25360	0.5
499.26614	3.8
500.26978	0.3
633.32672	1.7
634.33740	0.3
661.31915	100.0
662.32300	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76418	18.1
54.17163	14.6
60.39122	15.4
69.24094	63.1
78.74062	17.5
81.07099	21.5
85.72020	16.3
86.08128	16.9
150.01088	14.1
218.15482	16.8
661.33716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01866	3.2
57.03434	1.1
58.48259	0.9
65.03942	4.3
67.05511	2.0
69.93787	2.9
72.88435	1.0
73.16810	0.9
75.04479	2.0
78.04716	2.6
79.05505	3.5
81.03423	1.2
81.07045	1.1
82.14062	1.0
85.02901	4.5
91.05483	9.7
93.03400	8.2
93.07042	3.7
95.04976	4.2
95.08606	1.1
97.06527	1.7
102.77106	1.1
103.05467	10.5
105.03389	1.1
105.07029	4.5
106.04173	18.1
107.04955	3.8
109.06537	1.6
115.05462	2.7
117.07046	2.6
118.04139	2.3
121.06512	17.9
123.04424	2.9
123.08053	1.2
124.05204	1.8
125.05987	6.1
129.07042	0.9
131.04932	12.5
133.02863	1.5
133.06514	4.1
134.03656	3.3
135.04433	1.9
137.05968	13.3
138.03247	1.0
139.03865	1.4
139.07616	1.1
145.02858	1.7
145.06493	2.9
147.04382	2.6
147.08043	1.4
148.05153	4.6
149.05980	28.4
149.88708	1.3
151.03944	3.0
151.07573	1.2
152.04582	1.5
153.05447	3.5
153.09082	10.1
156.64447	1.0
161.05971	6.6
163.03937	1.4
163.07535	12.1
167.07036	35.1
171.06522	1.8
173.04697	1.0
173.05959	4.8
175.07582	2.0
177.05466	21.3
177.09108	1.9
179.07069	1.7
181.04959	34.7
181.08578	18.3
187.07523	1.8
189.09068	1.2
191.07024	43.1
193.08705	1.9
195.06480	1.4
201.05489	1.3
203.07039	1.6
205.08568	2.3
209.08083	100.0
210.08522	2.4
217.08652	1.9
219.10168	2.4
233.08098	1.5
235.07637	1.2
235.09685	3.3
263.09195	9.4
267.10208	2.4
303.23056	2.4
321.24216	1.9
325.10706	1.4
329.13672	1.1
341.10565	1.1
357.13235	3.4
385.12729	5.8
387.14673	1.6
399.14230	1.5
417.15399	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	662.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96340	1.3
55.01883	2.2
61.62691	1.6
65.03958	2.0
67.05531	1.9
69.03425	3.3
69.08611	10.1
75.04479	2.4
78.04707	2.4
79.05487	4.1
81.03433	2.0
85.02909	16.1
91.05489	9.7
93.03400	7.6
93.07091	3.7
95.04972	4.2
95.08617	2.3
97.02925	3.3
97.94429	1.4
98.05984	1.9
98.22701	4.0
103.05447	9.5
105.07021	5.5
106.04153	13.3
107.04961	7.4
115.05459	4.0
117.07066	2.0
118.04179	2.1
121.06517	16.9
121.10183	2.3
123.04443	5.0
125.06012	7.6
127.03938	1.9
131.04938	7.6
133.06496	5.9
134.03670	3.9
137.06006	9.6
145.04993	7.4
145.06503	2.1
147.04353	2.4
148.05171	5.9
149.05971	28.0
151.03937	2.8
151.07535	1.9
153.05447	4.3
153.09113	7.2
161.06007	7.7
163.06264	2.6
163.07509	10.8
167.03488	2.0
167.07047	32.8
171.06590	2.9
171.47937	1.7
173.05940	2.1
177.05484	19.2
181.04977	31.5
181.06451	3.4
181.08563	15.7
190.23883	1.9
190.39003	1.8
190.71506	1.8
191.07034	45.6
191.08681	3.1
195.06592	1.7
205.08516	2.3
209.08083	100.0
210.08397	4.1
223.27032	1.7
233.08075	3.3
235.09711	3.2
257.22516	1.9
263.09238	8.7
270.01981	1.8
275.23749	6.6
321.24338	5.2
385.12830	5.4
417.15475	9.0
662.33453	4.6
663.22833	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	662.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01864	3.2
55.05504	13.5
57.03142	1.1
57.03434	20.1
57.07071	1.7
59.04982	1.4
61.02911	3.6
65.03951	1.1
67.05500	40.6
69.03413	4.2
69.07066	13.1
71.01334	3.1
71.04992	5.9
71.43491	0.9
73.02909	1.9
73.34832	0.8
74.83602	0.8
75.05948	0.8
77.03926	1.5
79.05489	39.6
80.05810	1.2
81.03414	54.6
81.07052	31.0
82.40662	0.7
83.04979	16.2
83.08611	18.6
85.02908	16.6
85.06522	3.0
88.59716	0.8
89.83899	0.7
91.03927	1.5
91.05472	29.7
92.05789	0.9
93.07040	43.6
94.07353	1.1
95.04965	21.0
95.08604	11.4
97.02889	4.3
97.06532	10.6
97.10160	11.7
99.04467	1.1
99.08086	2.2
105.04471	1.6
105.07024	15.9
107.04955	6.8
107.08590	26.1
108.08910	1.7
109.06516	4.4
109.10162	6.4
111.04456	1.5
111.08079	8.6
113.05978	0.9
115.05390	1.1
117.06994	4.1
119.08569	16.7
121.06485	1.8
121.10131	11.4
123.08037	2.0
123.11661	2.0
125.09602	2.3
127.07660	0.9
129.06996	8.7
131.08559	8.4
133.06499	2.8
133.10112	11.3
135.08084	1.5
135.11679	37.7
137.09634	2.7
142.07776	1.9
145.10086	8.7
147.08043	2.2
147.11671	11.0
149.09613	4.8
151.11128	1.1
153.12726	1.8
157.10115	12.3
159.11565	1.3
163.11180	6.1
165.12694	1.9
175.11159	10.3
181.12224	9.1
184.07349	1.7
193.12216	31.7
194.12445	1.1
194.49142	0.8
199.13231	1.6
211.13281	46.6
212.13654	1.1
245.94440	1.0
249.14832	1.3
255.15895	80.2
256.16260	2.9
267.15884	26.6
268.16367	1.1
285.16928	30.2
286.17242	1.1
294.61566	1.1
393.15936	0.9
402.16562	1.7
403.17950	1.0
403.24219	1.2
416.13480	1.1
416.17856	3.1
417.14575	1.9
421.25818	3.0
429.15427	1.8
430.16083	4.6
431.16901	7.6
432.17551	12.7
433.17105	3.8
436.20712	0.9
443.12842	2.7
444.17462	4.3
445.18753	4.3
446.17303	1.3
447.27402	72.7
448.27661	5.3
457.14948	4.2
458.15195	15.4
459.15118	3.6
465.28439	100.0
466.28650	7.6
471.16882	1.5
472.17294	8.2
473.17557	10.8
474.17532	2.4
476.20251	1.4
486.14288	1.0
489.17349	2.2
490.17761	1.8
498.18549	2.1
499.18277	1.4
504.19287	1.1
516.18713	1.1
518.21149	2.2
532.19708	1.0
532.22565	1.1
557.19763	1.4
559.21021	3.1
561.22430	1.2
563.20056	1.2
588.21466	1.7
591.24274	4.0
592.23859	1.4
618.22986	1.5
619.14014	1.4
619.23462	20.4
620.24146	19.3
621.23425	2.6
630.22467	5.9
631.22449	1.0
662.24847	56.9
663.24207	15.1
663.34869	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	662.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	1.0
67.05494	2.5
69.07069	1.0
79.05499	7.2
81.07069	3.8
87.04458	2.7
91.05484	3.7
93.07052	5.9
95.04972	3.8
95.08595	2.3
105.03407	1.5
105.07022	2.3
107.04953	2.1
107.08579	2.6
109.02869	0.8
109.06519	4.9
109.10143	0.9
109.96384	0.6
110.35600	0.6
111.08057	1.2
117.07011	0.7
119.08600	1.8
121.10139	3.7
123.04434	2.1
124.05212	3.8
125.05976	1.6
131.08635	0.8
133.06438	1.0
133.10150	2.2
135.04414	7.1
135.11700	4.4
136.05203	0.6
136.28741	0.6
136.68921	0.7
137.05968	3.1
138.06821	0.7
139.03912	2.5
139.07542	15.7
140.04642	1.0
140.08011	0.7
141.05463	0.7
145.10028	0.8
147.11694	1.1
147.29469	0.6
149.13327	0.9
151.03888	2.5
152.04642	1.9
153.05472	2.9
154.06235	1.4
155.07016	2.5
157.04919	1.0
161.06067	0.8
165.01904	1.1
167.03394	1.5
167.07045	17.4
169.04984	6.1
170.05791	1.2
171.06609	0.9
179.03389	1.5
180.04089	0.7
181.04910	1.3
181.08582	0.9
182.05707	1.6
183.06516	4.6
184.07275	1.0
185.04466	5.0
193.08546	1.2
196.07303	3.2
197.04437	19.9
197.08092	8.4
198.05037	1.0
199.05995	1.6
199.09666	8.4
200.06805	6.2
201.09050	1.0
211.09604	3.7
212.06779	15.7
213.07510	3.0
214.08258	0.6
215.09117	4.3
218.99893	0.9
221.08041	1.7
223.09579	2.1
227.09138	100.0
228.09521	3.0
237.11243	0.8
241.10539	0.7
257.11813	0.9
263.12643	0.9
293.13898	1.0
371.25781	1.9
399.25320	0.7
431.27771	1.5
496.48001	0.7
557.92828	0.9
613.34155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94996	0.4
55.01867	0.5
55.05511	10.7
57.03437	8.5
57.07076	4.6
59.05000	2.7
61.02934	3.6
65.03910	1.6
67.05505	50.6
68.05814	0.8
69.03395	1.0
69.06728	0.7
69.07066	11.9
69.40256	2.0
71.04993	2.2
71.08612	1.5
73.02892	1.3
79.05492	4.2
81.03396	1.0
81.07055	15.8
83.04971	0.7
83.08619	13.0
85.02900	3.9
85.06547	2.3
85.10182	0.9
87.04469	2.8
91.03919	1.6
91.05475	3.7
93.06456	0.5
93.07037	6.9
95.04962	0.5
95.08044	0.6
95.08608	11.6
97.02898	2.3
97.06499	1.8
97.10169	5.5
99.08068	0.5
105.06949	0.4
107.08593	4.5
109.10157	48.2
110.10471	0.8
111.08089	3.2
111.11700	1.0
119.08565	2.5
121.10158	5.5
123.11673	1.2
125.09595	1.3
127.11250	0.4
135.11702	4.4
137.09595	1.7
137.13223	1.3
139.11165	0.6
147.37305	0.4
149.13223	1.6
155.10660	3.4
163.14803	0.9
173.11740	14.2
174.12065	0.7
184.07404	0.6
191.54572	0.5
219.21086	1.3
229.14345	100.0
230.14699	2.9
237.22090	1.7
311.25793	75.1
312.26157	5.1
365.26382	0.4
447.35226	0.6
465.35760	64.3
466.36108	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	663.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	1.2
69.20992	5.5
81.07079	1.1
95.05006	0.9
108.08096	0.9
122.06045	1.8
134.06029	0.9
137.43936	0.8
139.03934	2.3
140.07074	3.0
146.06067	2.2
152.07057	2.8
154.08618	2.3
166.08598	1.1
172.03897	2.2
174.05479	2.2
176.07053	2.0
190.05000	1.1
194.08138	3.4
204.06630	1.1
206.08192	1.1
208.09665	1.3
211.12270	1.2
213.10284	0.8
225.10228	5.8
227.11775	2.2
234.11435	0.9
236.09377	0.8
237.10278	2.3
238.11034	2.3
239.11751	2.4
240.12555	1.9
243.11642	0.8
249.10301	1.2
250.11031	1.2
251.11810	2.4
253.09763	10.5
254.10507	1.3
263.11758	2.2
265.09787	6.1
266.10480	3.9
267.11334	6.0
268.11960	1.1
269.12805	1.2
277.09637	2.0
278.10559	1.2
279.07999	1.4
279.11307	3.8
280.11920	2.6
281.12817	1.7
282.10083	2.4
283.10672	3.6
283.13693	1.1
284.11469	3.0
285.12338	2.4
287.13943	4.4
291.11295	1.5
292.12036	1.5
293.09222	17.2
293.12811	2.4
294.06702	1.6
294.09961	22.6
294.13229	1.6
295.10806	10.8
295.14063	1.5
296.11353	1.3
297.12390	10.6
298.12933	2.0
299.13901	2.0
307.10974	1.6
307.14371	1.2
308.11514	1.5
309.12320	39.2
310.12796	2.4
311.10141	1.1
311.13876	0.9
312.11066	6.1
313.11862	8.3
316.14401	1.1
317.14804	1.5
323.13852	1.4
324.11078	1.0
325.11841	3.8
327.13397	26.1
327.17282	1.3
328.14044	2.3
329.11624	1.3
330.15897	1.4
331.12888	1.9
331.16745	1.8
335.10333	1.6
337.11954	1.4
339.13376	15.5
340.13904	2.4
341.14832	3.2
345.14398	1.7
351.13501	10.3
353.11240	2.5
354.12158	1.9
356.13718	1.2
358.15613	1.7
367.12933	14.7
368.13742	3.9
369.14450	100.0
370.14999	5.0
384.13330	2.7
385.13947	2.0
386.14697	1.3
390.18121	2.0
398.14951	2.4
399.15747	5.2
400.16559	7.6
401.17099	37.7
402.17514	1.6
414.18185	1.2
417.17072	1.7
418.17593	2.0
458.17215	6.8
459.18051	4.0
468.21097	2.6
469.56339	0.9
490.20297	2.0
491.20349	1.2
508.20795	40.9
509.21503	26.1
510.22250	1.5
526.21783	1.1
540.23401	22.9
541.24109	9.8
573.28815	1.1
581.24139	1.5
599.25006	43.2
600.24933	3.3
604.61304	0.9
631.27856	6.7
663.27637	1.1
680.93335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.7
69.22552	1.2
69.22962	0.5
77.66409	0.3
81.03405	0.4
81.07071	0.6
87.04481	0.8
89.06025	1.1
105.07005	0.4
112.07601	0.6
121.10122	0.3
133.08611	1.1
238.52051	0.3
309.03195	0.3
459.24109	0.4
501.30615	0.6
541.22186	0.3
620.42377	0.4
663.31293	100.0
664.31738	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	663.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70436	0.5
59.53526	0.4
60.02250	0.4
67.05499	0.7
69.37435	2.2
75.00001	0.4
79.05452	0.5
81.03421	0.8
81.07076	0.8
87.04479	0.7
89.06045	2.6
91.05500	0.7
121.06539	0.6
131.08604	0.5
133.08638	2.2
177.11209	1.0
247.69312	0.5
285.95776	0.5
426.17859	0.5
628.53094	0.4
663.31311	100.0
664.31824	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	663.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79131	2.7
50.85148	3.5
51.52172	3.0
55.66732	3.3
57.93585	3.2
63.79762	2.8
74.03752	2.9
85.15903	3.0
149.02338	16.3
150.02692	6.6
162.89346	2.9
184.32344	3.1
193.04961	7.5
194.05293	4.7
429.11575	4.4
430.12033	11.0
474.14557	6.5
518.54059	4.0
663.33368	100.0
664.33026	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	663.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40761	0.4
50.99016	0.5
53.69191	0.5
55.05503	1.3
55.81643	0.5
57.03437	1.1
61.02929	2.6
64.82561	0.5
67.05503	3.4
67.53688	0.5
69.03443	0.8
69.07066	0.8
71.04998	0.7
73.02921	2.0
79.05486	4.6
81.03425	2.1
81.07061	2.6
83.05001	1.1
83.08617	0.6
84.18687	0.5
85.02889	3.7
89.92056	0.4
91.03966	1.9
91.05473	3.0
93.07032	3.8
95.04939	0.7
95.08620	1.4
97.02898	2.1
97.06530	1.1
99.04434	0.5
101.02394	1.1
105.07062	1.8
107.08595	2.1
109.06478	0.6
109.10168	0.8
117.07008	0.8
119.08585	1.2
121.10141	0.5
123.08086	0.6
127.03922	1.0
131.08604	0.6
133.10216	0.6
135.11679	2.7
136.63028	0.5
147.11722	1.6
163.11079	0.6
171.11725	0.7
185.04208	0.7
221.11554	0.8
243.08437	1.7
247.10593	0.5
247.13139	1.3
335.87140	0.6
439.19324	6.3
451.44708	0.6
465.21005	5.8
501.28793	0.5
663.33423	100.0
664.33777	9.2
687.24237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.05527	1.0
57.03446	1.5
61.02925	3.9
67.05504	2.7
69.03424	2.1
69.07084	0.6
71.04998	0.6
72.80448	0.3
73.02918	2.9
78.91103	0.3
79.05524	1.3
81.03418	7.0
81.07052	2.9
83.05018	0.6
83.08620	1.8
85.02908	3.6
87.04517	0.6
91.03954	2.7
91.05458	1.6
93.07041	2.3
95.04962	2.0
95.08621	1.4
97.02886	3.3
99.04475	0.7
101.02362	1.5
103.04044	0.3
105.07044	0.7
107.05034	0.4
107.08656	1.3
109.02916	0.7
109.10214	0.6
111.08132	0.9
117.07063	0.4
117.11035	0.3
119.08615	1.0
121.06543	0.5
121.10175	1.5
127.03973	1.3
129.07031	0.4
131.08626	0.8
133.10190	0.3
135.08066	0.3
135.11697	0.4
147.11792	0.7
149.09677	0.4
149.13318	1.3
157.10158	0.9
159.11697	0.5
175.11259	0.7
185.04251	0.5
193.12221	1.4
235.13245	1.2
243.08418	1.6
267.16086	0.8
300.97836	0.3
308.83475	0.3
337.27484	0.4
451.19370	6.3
453.20926	5.7
501.29977	0.7
546.17743	0.3
663.33411	100.0
664.33771	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	664.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
54.68985	0.3
55.01870	1.5
55.05505	0.8
57.03434	1.7
57.07035	0.3
59.22361	0.2
61.02928	1.5
62.51351	0.3
63.46642	0.3
65.03915	0.5
66.72583	0.3
67.05486	0.8
68.99784	1.1
69.03065	0.5
69.03429	8.8
69.11936	2.0
71.01374	0.4
71.04984	1.0
73.02902	1.2
79.05498	1.5
81.03416	7.8
81.07054	0.7
83.04978	0.7
83.94632	0.3
85.02901	20.3
87.00830	9.0
91.03958	0.4
91.04937	0.5
91.05473	6.1
93.07045	2.5
95.04958	1.3
95.08618	1.5
97.02885	9.2
99.04453	3.2
103.03964	0.8
103.05459	0.9
105.01144	0.6
105.01865	10.8
105.07027	26.3
106.07367	0.6
107.08584	1.4
109.02876	10.8
109.10120	0.6
111.04430	1.3
113.02308	0.3
115.03933	0.7
115.05450	0.7
117.01859	0.6
117.07018	2.4
118.07803	1.7
119.08580	1.3
119.41807	0.3
121.10160	0.8
123.04413	0.9
125.02331	1.1
127.03909	18.9
128.04204	0.3
129.01843	0.7
129.07025	0.6
131.08565	3.1
133.10123	100.0
134.10454	2.4
135.08067	0.3
137.05949	0.8
139.03914	1.6
143.03389	0.4
143.08488	0.3
145.04961	5.9
145.10089	2.5
147.02838	0.4
147.11668	1.0
149.05853	0.4
149.13234	0.4
151.03873	1.9
159.02910	3.0
159.11659	1.6
161.13223	0.8
163.03972	0.6
165.05513	0.6
169.04980	1.0
171.02870	0.4
173.13329	0.4
175.11238	0.8
177.05467	0.5
181.04979	0.7
187.06004	1.0
187.11133	0.3
189.03929	1.7
189.05420	0.3
189.16406	0.4
191.07047	1.3
193.04878	0.7
199.11136	0.6
201.16377	5.0
213.03922	3.3
213.12880	0.4
217.12331	0.7
219.17400	2.6
223.11281	0.4
229.03403	0.4
231.04993	6.5
235.05972	0.7
237.18489	0.3
241.12256	0.6
241.86700	0.3
249.06021	2.5
253.07004	0.4
273.06046	4.7
315.07022	0.5
319.08130	0.9
339.07138	1.1
353.33060	0.3
357.08096	0.9
363.14270	0.5
383.14984	0.3
408.30609	0.3
443.07928	0.5
461.08871	0.6
479.10471	0.4
484.01611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01879	0.7
55.05502	0.7
61.02911	0.4
65.03941	0.4
67.05501	2.9
68.99789	1.8
69.03417	1.9
69.07056	1.1
71.04987	0.4
72.08140	0.7
79.05495	1.5
81.03408	1.3
81.07053	3.6
85.02901	6.3
87.00824	0.7
91.05470	1.6
93.07037	3.2
95.04942	0.6
95.08605	4.3
97.02887	2.4
99.04452	0.5
103.05456	0.4
105.01849	1.3
105.07001	1.8
107.04965	1.8
107.08578	2.2
109.02856	1.0
109.06506	0.4
109.10172	2.2
111.08058	0.5
115.05433	0.3
117.03365	0.5
117.07008	1.2
119.04943	0.5
119.08544	0.9
121.06485	1.7
121.10131	0.9
123.04425	9.8
127.03921	2.3
128.85382	0.3
131.08549	1.1
133.06485	0.5
133.10097	0.8
133.27644	0.3
135.04495	0.3
135.08052	4.1
135.11688	0.8
136.32785	0.3
137.02359	0.5
137.06000	1.7
145.02846	1.1
145.04965	1.8
145.06496	0.6
145.10103	2.2
147.04408	4.2
147.08028	0.5
147.11679	0.8
148.05168	0.5
149.05971	22.8
150.06288	0.6
159.02806	0.5
159.08064	1.1
159.11690	1.6
160.05159	0.5
161.05980	3.1
163.07530	100.0
164.07877	1.8
165.05457	0.3
173.05977	3.4
173.09654	0.3
175.07545	4.7
177.05508	2.1
177.09103	8.9
179.07053	0.6
185.06004	0.4
187.07532	7.9
189.05463	0.9
189.09082	3.8
191.06918	0.3
191.10677	0.6
199.07529	0.7
199.76337	0.3
201.09129	2.2
201.16391	3.1
201.21254	0.3
203.10660	1.6
203.17931	0.5
204.10225	0.5
211.05847	0.3
213.05444	0.4
213.08989	0.6
215.07117	0.4
215.10675	0.4
219.17366	0.8
227.10681	0.7
229.08585	2.8
231.05037	0.3
241.12128	0.4
241.15683	0.3
243.13817	0.8
245.15250	0.6
253.08543	0.6
259.16974	0.9
264.79022	0.3
269.15356	6.7
271.09683	0.3
279.37283	0.4
285.80746	0.3
287.16397	13.0
288.16782	0.6
293.15140	0.6
305.17450	38.8
306.17923	1.3
311.16357	0.9
318.18079	0.5
323.18500	5.0
325.18005	0.3
329.17249	1.3
335.16354	0.4
353.17639	1.7
370.32758	0.3
371.18497	2.0
395.18365	0.8
413.19366	0.6
431.20776	0.6
467.23190	0.4
646.30957	0.3
664.31512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	2.1
55.05502	0.9
57.03438	2.0
61.02934	1.7
63.67416	0.3
64.07232	0.3
67.05486	1.2
67.37772	0.3
68.99784	1.2
69.03065	0.7
69.03429	11.1
69.07072	0.3
69.14048	2.2
71.01371	0.4
71.04983	0.8
73.02908	1.9
73.03248	0.3
77.03925	0.4
79.05498	1.8
81.02957	0.7
81.03418	10.2
81.07047	1.3
83.01308	0.4
83.04993	0.7
85.02905	26.9
86.03299	0.4
87.00829	12.0
90.32972	0.4
91.03933	0.4
91.05478	6.2
93.07047	3.1
95.04961	1.5
95.08607	1.4
97.02891	11.7
98.22751	0.7
99.04459	4.0
103.03922	1.0
103.05448	0.7
105.01866	15.5
105.04536	0.5
105.07030	26.9
106.07401	0.5
107.08591	2.3
109.02879	14.1
109.10139	1.1
111.04439	1.2
115.03944	0.6
115.05473	0.7
117.01839	0.7
117.07025	2.1
118.07822	1.7
119.08607	2.1
121.10146	1.3
123.04445	0.9
125.02373	1.0
127.03915	24.1
129.01804	0.9
131.08553	3.9
133.10127	100.0
134.10464	2.6
135.11678	0.8
137.05954	0.5
139.03914	1.7
141.05417	0.4
145.04965	8.6
145.10118	3.8
147.02890	0.8
147.11691	1.3
151.03879	1.6
157.10170	0.4
159.02863	3.8
159.06508	0.4
159.11708	2.8
159.12871	0.5
161.13248	0.8
163.03880	0.5
169.04947	1.0
173.13266	1.0
175.11174	0.9
181.04961	0.7
187.06029	0.7
189.04001	2.0
189.16399	0.5
191.07130	1.6
192.12798	0.3
193.04939	0.8
199.11198	0.4
201.16399	7.0
203.17876	0.5
205.04941	0.4
207.46231	0.3
209.08063	0.4
213.03940	3.7
217.12206	0.5
219.17464	4.2
223.11183	0.6
231.04982	7.9
231.89282	0.3
235.05939	0.7
237.18521	1.2
241.12279	0.8
249.06062	2.9
253.07124	0.8
271.08041	0.4
273.06076	4.3
274.06479	0.3
315.06906	0.6
319.08093	1.2
339.07346	1.0
357.08115	0.8
363.14178	0.5
461.09210	0.8
518.35297	0.4
613.02795	0.4
618.12347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90247	0.5
65.75040	0.5
67.05490	1.7
67.52795	0.4
69.20332	2.2
69.20760	1.0
79.05492	2.1
81.07043	2.2
88.65732	0.4
88.68959	0.4
91.05464	1.0
91.40678	0.5
93.07045	0.9
94.04192	0.6
95.04949	1.4
95.08627	1.0
105.03379	1.0
107.04958	1.7
109.06522	3.1
109.10193	1.0
111.04406	0.5
121.06472	0.6
123.04429	1.2
124.05208	2.4
125.05992	0.6
135.04445	5.0
136.05186	0.5
137.05945	2.5
139.03880	1.2
139.07542	13.4
145.06418	0.5
151.03873	2.1
151.07472	0.9
152.04703	1.7
153.05460	1.9
154.06241	1.0
155.07028	1.1
166.06137	0.8
167.07048	16.9
168.07726	0.7
169.05006	2.3
175.07535	0.6
177.09142	0.8
179.03383	1.4
181.08560	1.1
182.05782	2.5
183.06499	1.4
184.07280	1.6
185.04456	1.5
185.07990	0.7
193.04967	0.5
197.04453	13.4
197.08105	7.0
199.09650	10.0
199.11378	0.7
200.06731	2.9
205.08606	0.7
211.09702	1.5
212.06805	16.8
213.07520	1.1
213.57607	0.4
215.09161	1.4
223.09636	2.4
226.08357	0.9
227.09142	100.0
228.09483	1.1
237.09134	0.5
237.11154	2.7
241.10686	1.1
251.12292	0.6
401.26874	0.5
433.29654	1.0
583.32300	0.6
615.35101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.07076	66.3
71.08627	1.5
72.18579	0.7
73.06553	2.4
77.03922	0.8
87.04465	20.3
89.06031	100.0
91.05479	7.6
93.07061	5.7
95.04961	1.7
101.16138	0.7
103.05448	2.2
105.07054	2.1
107.04939	1.4
107.07069	0.9
107.08591	2.3
109.06544	1.2
113.13272	1.7
117.07044	1.5
117.09113	1.6
118.07799	5.9
119.04931	3.1
119.08578	5.0
121.06508	24.7
121.10147	1.3
130.08647	1.1
131.07048	9.6
133.08604	68.9
135.08087	3.6
135.11719	1.2
147.08058	12.5
149.09612	3.7
150.06789	2.5
159.11707	2.0
163.11198	2.1
165.09119	12.2
167.10732	2.6
168.49585	0.6
175.09692	7.2
175.11092	1.1
177.11226	30.3
177.12698	2.0
191.10669	4.6
193.12210	1.5
209.11714	4.3
211.13203	3.7
217.17036	1.1
219.12250	2.2
221.13837	7.7
233.18988	20.6
235.13289	3.6
247.20552	0.8
253.14395	1.7
255.15953	2.2
259.20587	4.2
265.16473	2.8
275.23648	1.3
277.21634	35.8
279.15936	2.3
283.17520	1.4
299.18738	1.5
303.23233	3.0
305.70444	0.7
309.19049	2.3
315.17996	1.0
321.24231	9.8
327.20276	0.9
353.21671	1.7
359.20642	1.1
365.27121	1.2
446.61075	0.8
535.30988	6.1
647.43597	19.5
664.46265	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	664.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03597	0.8
55.05507	7.3
57.03435	12.7
57.07078	22.8
59.04987	3.7
59.37487	1.1
61.02931	4.7
67.05502	62.1
68.10717	0.9
68.37614	1.0
69.03407	1.4
69.07062	3.9
69.30193	5.2
71.04974	1.7
71.08631	15.8
73.02899	1.3
75.04440	1.0
79.05479	1.4
81.07055	15.0
83.08611	10.0
85.02901	4.2
85.06570	1.8
85.10175	9.2
89.06023	1.4
91.05470	3.5
93.07053	1.8
95.08594	13.5
97.02890	2.7
97.10162	2.4
107.08589	1.3
109.10152	59.5
110.10444	1.2
111.08057	2.9
119.08568	4.0
123.11694	2.2
132.89218	1.0
137.09569	2.1
155.10677	2.8
167.38893	1.0
173.11731	15.1
173.78972	0.9
229.14339	100.0
230.14703	2.9
313.27347	76.8
314.27744	2.6
350.19519	1.1
467.37286	62.9
468.37573	2.4
620.34442	1.2
628.00439	1.0
690.64319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	11.1
59.04992	0.8
69.03414	0.8
69.67711	0.7
69.68061	0.9
73.02910	0.5
73.06553	2.7
78.23041	0.4
87.04469	23.8
89.06031	100.0
91.05489	1.0
93.07047	0.5
98.22777	0.4
107.07080	1.0
113.13350	0.4
117.09151	1.0
119.04971	0.4
119.08597	0.7
121.06509	3.5
130.08623	1.3
131.07043	8.8
131.08556	0.5
133.08604	70.4
134.08885	0.4
143.47554	0.4
147.00087	0.4
147.08012	3.0
149.09593	1.9
151.03410	0.5
153.65260	0.4
165.09146	0.5
175.09648	7.3
175.11107	0.5
177.11218	33.0
178.11537	0.6
180.83456	0.5
191.10616	0.9
193.12239	0.9
207.29536	0.4
209.11720	1.2
217.12366	0.4
219.12340	2.1
221.13820	7.7
223.15277	0.4
233.19073	2.3
235.13185	0.7
239.14790	0.9
253.14366	1.7
255.15991	0.9
259.20544	2.5
261.22278	0.6
263.15015	0.4
265.16498	2.9
277.21564	0.4
279.15948	0.8
283.17514	1.6
297.16995	2.5
299.18457	1.1
303.23114	1.0
305.17371	0.4
309.19049	1.7
321.24167	0.5
323.18716	0.7
341.19492	1.1
341.79456	0.4
343.21109	1.1
353.21597	1.1
365.26767	1.2
385.22183	0.8
409.29578	0.5
427.30496	0.6
429.24606	1.4
453.31940	1.1
473.27255	0.4
497.34433	0.8
535.31158	0.6
541.37164	0.9
585.39539	0.6
647.44043	2.0
658.46967	0.5
664.31989	1.2
664.46173	1.4
665.34430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43069	1.4
59.17868	1.4
69.07072	2.4
69.45236	3.2
69.45621	3.2
71.04996	2.3
79.05507	2.4
81.03398	2.6
81.07047	2.6
82.70030	1.5
85.02905	4.9
91.05419	2.3
93.07040	3.2
94.06561	2.5
105.07005	2.6
107.08603	1.9
109.10193	1.8
117.06966	1.4
119.08604	2.2
121.10161	2.0
122.06012	5.2
133.85301	1.6
135.04433	2.0
136.07584	2.1
137.05939	2.2
138.06311	1.6
139.03911	2.4
140.07051	9.1
140.71767	1.5
145.06618	2.0
146.06078	1.9
148.07614	1.8
151.03920	3.9
162.05571	1.7
164.06998	1.8
164.10995	1.8
167.07019	16.1
172.03970	2.5
173.05988	3.0
179.06816	1.9
179.92197	1.4
181.04939	5.6
204.06541	4.7
206.08247	2.4
208.09660	2.1
222.11700	2.4
223.79535	1.8
237.10294	2.4
243.11267	5.5
247.08731	1.6
248.09422	5.8
249.10257	17.7
250.10966	4.9
251.11804	4.4
255.11234	2.9
261.10153	2.7
262.11066	5.9
263.11801	80.8
264.12402	6.9
265.09662	3.7
265.13327	8.3
273.12537	1.8
277.09711	23.9
278.10110	1.7
279.11267	24.1
280.11865	4.2
281.12885	2.5
285.12320	6.3
290.10464	6.4
291.11282	38.9
292.12036	11.8
293.12543	1.5
295.10776	19.2
296.11600	1.7
303.07788	2.7
303.13367	9.8
307.10776	4.6
309.12332	43.8
310.12872	4.6
311.13815	4.5
313.11884	3.5
317.15201	1.6
318.09955	6.4
321.14514	3.3
323.10101	3.2
323.13910	61.6
324.14471	4.9
325.12051	2.5
331.12637	1.6
335.10104	2.2
336.11005	56.9
337.11746	20.5
338.12552	4.9
341.15134	3.1
345.14465	2.7
353.11246	2.1
354.11948	2.7
355.12775	11.5
356.13989	2.0
367.12915	34.6
368.13626	47.0
369.14453	57.0
370.15247	17.4
372.04861	1.7
386.15225	1.9
388.16055	1.8
405.16922	2.1
406.17261	1.8
415.15451	2.3
416.15845	4.6
417.15411	3.9
456.15363	2.2
474.16843	1.9
476.17966	5.1
478.19757	16.3
489.18781	3.2
493.18283	3.6
494.18887	8.1
503.24817	3.2
508.20831	100.0
509.21225	7.7
510.22360	58.4
510.28680	1.0
510.30078	1.8
511.22391	5.7
526.21729	10.6
605.25598	2.0
615.24548	16.4
629.25653	6.1
633.25201	7.4
647.26190	6.1
665.27057	17.5
666.28741	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.0
64.19170	1.6
67.05506	2.9
69.48725	2.0
75.69793	1.5
76.43281	1.7
81.07070	4.4
93.07068	4.0
107.08527	1.8
138.92000	2.0
147.46648	1.6
149.02403	3.4
158.93561	2.3
193.05008	3.8
200.20126	3.0
226.82504	2.0
232.97879	1.9
234.36992	1.6
239.87073	1.7
244.22755	3.1
256.26434	2.5
284.18555	2.0
290.26910	3.3
424.08871	1.9
431.91904	1.9
453.20984	21.3
528.16327	1.9
665.35077	100.0
665.50604	10.2
666.35620	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24024	0.2
51.25882	0.2
53.03938	0.6
55.05503	0.6
55.56826	0.3
57.02998	0.3
57.03432	0.7
61.02926	3.9
66.10263	0.2
66.82182	0.3
67.05500	3.4
67.05826	0.4
69.03432	1.9
69.07066	1.1
69.08644	0.9
69.09064	0.8
71.01387	0.3
71.04983	0.6
71.79893	0.2
73.02911	2.3
79.05502	2.4
80.81947	0.3
81.03425	1.1
81.07050	3.7
83.04980	0.5
83.08623	0.9
85.02906	3.5
91.03945	3.1
91.05498	1.2
93.07031	2.6
95.04983	0.5
95.08102	0.2
95.08598	1.6
97.02894	3.0
97.06535	0.5
99.04443	0.7
101.02382	1.1
103.03985	0.3
105.07036	0.5
107.08584	1.9
109.02866	0.7
109.10214	0.3
111.08085	0.3
114.03732	0.2
115.03922	0.3
117.07033	0.8
118.71677	0.2
121.06470	0.3
121.10178	1.0
127.03906	1.5
131.08580	0.8
133.10149	1.2
135.11736	0.9
145.04976	0.6
149.13223	1.9
159.11728	1.3
177.12769	0.6
185.04243	0.8
195.13885	1.2
203.05257	0.3
235.12991	2.3
240.16757	0.3
243.08372	1.9
269.17471	2.0
291.15686	0.9
440.01920	0.3
453.20926	20.8
454.21295	1.3
503.29617	0.6
562.95270	0.3
665.35010	100.0
666.35278	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	665.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02037	0.5
53.03946	0.5
57.03438	1.2
61.02927	2.3
67.05502	4.2
68.03810	0.6
69.03420	1.7
69.07087	1.2
71.10410	1.0
73.02920	1.6
79.05499	2.4
79.35989	0.5
81.03420	1.1
81.07055	5.0
83.08596	1.4
85.02921	2.8
91.03954	1.7
91.05476	1.1
93.07035	3.7
95.04970	0.7
95.08599	1.5
97.02899	1.8
97.06548	1.2
101.02406	1.2
107.08593	1.8
111.08121	0.7
121.10197	1.5
125.89184	0.5
127.03970	1.0
131.08568	1.2
133.10130	0.5
134.46381	0.6
135.11711	0.7
149.13248	3.2
159.11732	1.5
177.12842	0.7
185.14798	0.6
220.10722	0.6
221.26370	0.7
235.13115	2.0
243.08388	2.0
267.23840	0.6
269.17599	0.8
291.15784	0.6
339.01343	0.5
386.10583	0.5
453.20999	12.6
453.26965	1.0
454.21561	0.9
456.64850	0.5
665.35034	100.0
666.35309	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	666.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.01869	8.6
55.05503	1.9
57.03443	8.1
61.02934	4.8
65.03936	1.2
67.05508	3.7
68.99794	4.3
69.03430	44.4
69.07059	1.8
71.01352	3.0
71.04991	4.6
73.02907	7.7
79.05496	15.0
81.03419	39.5
81.07053	5.3
83.01353	2.4
83.04987	5.6
83.87043	1.4
85.02902	100.0
87.00826	39.4
87.45924	1.1
91.03941	1.6
91.05491	10.1
93.07040	35.1
93.07601	2.0
95.04975	8.1
95.08604	4.6
97.02260	2.1
97.02892	44.2
99.04453	16.2
101.02391	1.9
102.50916	1.2
103.03971	7.0
103.75134	1.1
105.01866	44.2
105.04523	2.6
105.07030	7.3
107.07916	2.4
107.08598	28.6
109.02877	54.3
109.10154	4.4
111.04453	8.9
115.03937	2.9
117.01864	2.4
119.04927	1.3
119.08594	7.5
121.10127	3.9
123.04412	7.7
123.11732	1.9
125.02358	3.6
127.03915	96.8
129.01837	4.0
129.05444	2.4
133.10100	9.7
135.11688	41.0
137.06007	1.7
139.03911	5.4
143.03372	1.6
145.04962	25.3
147.02928	2.8
147.04407	2.2
147.06522	1.4
147.11665	4.8
151.03889	7.2
153.05446	1.6
158.39352	1.2
159.02901	12.6
161.06023	1.5
161.13200	2.1
163.07574	1.3
165.05453	2.9
169.04948	9.7
171.02899	3.9
175.03854	2.2
187.06039	5.2
189.03944	18.8
189.05464	2.2
193.04924	7.6
202.25819	1.4
203.17982	12.0
206.05978	1.3
211.06024	2.1
213.03928	19.8
221.19029	4.4
229.07050	1.8
231.04997	39.9
231.07370	2.0
233.06577	4.2
235.06055	2.9
239.19853	1.7
249.06000	16.2
253.07063	4.1
255.05009	4.1
269.06516	1.4
271.08057	1.7
273.06039	61.7
285.06067	1.9
291.07172	1.7
297.06049	3.6
315.07077	7.3
321.05966	1.4
335.39697	1.3
339.07120	9.7
357.08228	7.5
443.08475	7.1
461.09128	11.0
479.10266	5.5
535.87994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01864	1.6
55.05508	1.8
57.03426	1.2
61.02930	1.5
65.03951	0.4
67.05482	0.4
68.99782	1.1
69.03431	7.1
69.07055	0.8
69.28730	1.5
70.50819	0.2
71.01369	0.4
71.05000	0.6
73.02922	1.4
79.05495	0.8
81.03416	4.5
81.07050	0.8
83.01337	0.4
85.02905	18.7
87.00828	7.1
87.04488	0.3
91.05466	1.4
93.07050	0.4
95.08611	0.5
97.02892	5.0
97.10169	0.5
99.04447	2.2
103.03928	0.6
105.01865	8.5
105.07005	0.5
107.04939	0.3
107.08653	0.3
109.02180	0.4
109.02877	5.7
109.06513	1.4
111.04437	0.5
117.01849	0.7
117.07012	0.4
119.04937	0.3
119.08578	0.4
121.06534	0.7
124.10534	0.3
127.03912	9.8
129.01842	1.8
133.06483	0.4
137.05971	100.0
138.06345	1.9
139.03922	3.1
141.25101	0.2
143.73024	0.3
145.02782	0.2
145.04970	4.1
145.10161	0.3
147.02905	0.7
147.08040	1.1
151.03896	4.8
151.05023	0.5
151.07497	1.7
159.02892	1.9
159.08115	0.3
161.05971	28.3
161.09628	0.8
162.06181	0.3
163.03899	0.4
163.07532	1.9
165.05458	1.4
165.90045	0.3
171.08014	0.4
173.05962	0.4
173.09615	0.3
174.06770	0.6
175.07550	5.4
175.08923	0.5
177.05470	0.4
177.09120	0.9
179.07048	2.6
181.04938	0.8
182.94127	0.3
185.09592	0.7
187.07541	1.0
189.03932	1.1
189.09070	1.1
196.22392	0.3
199.07515	0.6
199.11235	0.6
201.05490	0.6
201.09209	0.6
202.25177	0.3
203.05144	0.4
203.07033	8.5
203.10672	0.8
211.05934	0.5
213.03893	0.9
213.09131	0.5
214.09715	0.3
215.06970	0.3
215.10675	0.5
215.14252	0.5
217.08591	0.5
217.12202	0.4
221.11774	1.6
221.15358	52.1
222.15639	1.6
227.07037	1.2
227.10588	0.3
231.04994	3.5
231.13745	0.3
233.15279	0.4
239.12813	0.4
239.16393	7.7
239.18834	0.5
241.16013	0.3
243.13748	1.0
245.08228	1.8
245.15373	21.8
246.15787	0.7
249.06056	1.8
257.15387	1.5
259.16934	2.2
263.16428	6.7
269.15424	0.7
283.16934	1.0
287.16397	14.5
288.16660	0.4
289.07004	0.5
305.17468	5.4
306.17810	0.4
311.16376	4.3
329.10190	0.4
329.17456	4.6
347.11264	0.7
347.18442	1.4
415.17508	1.4
433.18604	4.9
451.19543	0.6
666.30859	0.3
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
53.03942	6.1
55.01872	4.9
55.05513	1.3
57.03441	5.5
61.02924	5.8
67.05499	6.7
68.99791	2.2
69.03427	30.2
69.03806	1.7
69.07070	3.0
69.17072	2.2
69.17476	2.9
71.05003	4.6
71.91978	1.0
73.02926	6.3
79.05487	5.1
81.03411	27.0
81.07052	12.9
83.08617	1.5
85.02902	100.0
87.00827	43.9
87.04464	1.3
91.04008	1.6
91.05482	6.3
93.07040	8.8
95.04977	1.4
95.08606	32.2
97.02255	2.0
97.02891	42.3
98.23512	1.7
99.04453	13.9
103.03961	2.0
105.01864	100.0
105.07022	16.6
107.08588	18.2
109.02877	46.9
109.10155	17.2
109.40157	0.8
115.03949	1.0
117.01881	2.7
119.08579	12.2
121.10146	11.4
123.04434	2.0
123.11704	4.2
127.03915	92.3
128.04347	0.9
129.01852	3.1
133.10121	10.8
135.11671	3.3
137.02274	1.1
139.03920	3.5
145.04956	35.9
147.02919	2.3
147.04395	1.1
147.11682	21.3
149.13284	0.9
151.03853	1.2
153.01804	1.6
159.02896	14.0
161.13255	7.4
163.06070	1.4
165.12802	1.6
169.05072	1.2
175.14853	4.0
177.03935	1.3
177.16380	2.3
181.04977	1.0
189.03984	2.4
191.03441	3.4
203.17950	79.8
204.18335	2.1
213.03951	18.6
213.05833	1.6
221.19000	16.0
231.04984	62.6
249.06042	47.4
253.06979	5.9
271.08188	6.4
273.06049	1.7
278.29916	1.0
339.07175	1.0
345.09659	2.3
357.08154	4.8
375.09164	9.8
393.10257	20.5
411.11310	15.4
451.23215	1.9
479.13681	1.0
666.32990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
53.91164	0.8
55.01868	5.2
55.05500	2.4
57.03435	5.5
57.91296	0.8
61.02928	6.3
67.05504	9.1
68.99790	2.3
69.03064	1.8
69.03429	35.3
69.07066	3.3
70.39408	1.3
71.04985	4.9
73.02909	6.5
79.05488	7.0
81.03414	28.0
81.07056	15.8
83.01341	2.2
83.04920	0.9
83.08607	2.1
85.02904	100.0
87.00828	46.2
89.43558	0.8
91.03939	1.0
91.05489	5.6
93.07036	12.2
95.04954	1.5
95.08021	1.9
95.08607	29.4
97.02889	47.0
99.04447	13.9
101.02380	1.1
103.03917	1.4
105.01866	95.2
105.07021	17.2
107.04991	0.9
107.08595	20.7
109.02878	47.7
109.06515	1.2
109.10152	18.0
111.04459	1.5
114.77287	0.8
115.03931	2.1
117.01843	3.0
119.08584	11.4
121.10148	10.1
123.04398	1.2
123.11684	5.1
125.02285	0.9
127.03913	97.4
128.04222	1.4
128.06302	0.9
129.01854	3.4
133.10132	11.4
135.11688	6.8
139.03886	1.2
145.04959	34.3
145.10075	1.1
147.02849	2.3
147.11685	21.2
149.13248	1.4
150.49466	0.9
151.03976	1.1
153.01753	1.3
159.02888	15.6
161.13231	7.2
163.05991	1.1
163.14842	1.7
165.12708	1.3
171.02933	0.9
175.14853	4.9
177.04002	1.3
177.16338	2.2
189.03918	4.0
191.03352	2.0
203.17946	77.9
204.18335	2.2
213.02446	0.5
213.03934	19.3
221.19000	15.1
231.04988	61.5
232.05273	1.3
235.06110	0.9
247.08162	1.1
249.06059	42.8
253.07051	6.3
271.08072	5.1
273.05978	2.8
305.05331	1.0
357.08206	5.0
359.78345	1.0
375.09216	7.5
393.10260	18.8
411.11310	16.0
451.23413	1.2
497.81253	1.0
666.32849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63037	1.1
53.03939	3.4
55.01882	2.1
55.05511	6.9
57.03440	3.5
61.02923	2.9
65.03931	1.7
67.05508	17.7
69.03432	14.9
69.07072	7.8
69.40524	4.4
71.05004	1.9
73.02911	3.7
76.00040	1.2
79.05486	12.3
81.03417	7.3
81.07054	40.7
81.07504	2.5
83.08624	3.9
85.02904	34.3
87.00809	9.9
91.05473	16.7
93.07043	34.4
94.43478	1.2
95.04972	3.5
95.08607	51.8
97.02901	15.0
97.06541	1.5
97.10169	3.0
98.23444	2.4
99.04460	5.2
105.01862	20.6
105.07027	51.0
107.08595	47.9
109.02875	10.9
109.06544	3.2
109.10159	38.4
111.08100	1.9
111.11735	1.4
119.06088	1.4
119.08577	31.5
121.06571	1.4
121.10155	18.7
123.11703	10.6
125.09572	2.3
127.03917	22.8
129.01822	1.6
129.05478	1.4
131.08597	2.9
133.10129	21.5
135.11688	14.7
137.06018	2.7
137.09601	1.5
137.13232	1.9
139.03944	2.5
143.08511	1.2
145.05000	9.1
145.10120	3.4
147.11681	42.7
148.91023	1.2
149.09637	1.6
149.13283	2.5
159.02907	4.1
159.11728	2.3
161.13281	14.7
163.11127	1.6
163.14775	7.6
165.12714	1.3
167.03375	1.5
167.10681	1.4
169.08681	2.1
175.14812	6.5
191.03421	2.0
197.02904	1.3
201.16428	1.9
203.17940	100.0
204.18297	2.9
221.19073	9.6
227.12894	1.6
231.04909	12.7
231.06706	1.2
249.06009	6.6
418.05728	1.4
455.22714	3.6
497.68018	1.3
560.73248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.03440	0.2
61.02919	0.3
67.05486	0.2
69.03423	0.4
69.07078	0.2
69.33714	0.8
69.39370	0.2
70.45210	0.2
73.02917	0.5
77.50286	0.2
79.05473	0.3
81.03413	0.3
81.07036	0.2
85.02913	0.7
91.05506	0.3
93.07066	0.4
95.04973	0.2
97.02908	0.4
98.23444	0.3
105.07072	0.3
107.08616	0.3
109.10181	0.3
117.05747	0.3
118.06550	1.8
120.08121	0.3
121.10140	0.3
127.03917	0.3
130.06546	0.6
131.07341	0.4
132.08109	1.0
133.08891	0.2
133.10085	0.2
134.09656	0.3
139.03918	0.4
144.08093	0.2
146.09633	1.3
147.07976	0.2
151.09941	0.5
158.09676	0.2
160.11230	0.3
161.54381	0.1
162.09140	6.0
163.09712	0.2
163.87421	0.2
170.76459	0.2
172.11259	0.3
174.09230	0.6
175.09926	0.2
176.10707	2.9
177.11476	0.9
178.12244	0.2
180.92108	0.2
190.12265	5.6
202.15883	0.3
203.17937	0.2
204.13843	1.4
216.17667	0.2
218.15446	0.6
228.17661	0.2
230.15506	0.2
232.16954	1.1
246.18526	0.9
256.17044	0.4
258.18555	0.2
260.20154	0.5
272.16333	0.2
274.21710	0.4
297.11191	0.3
304.19193	0.5
318.20612	1.1
320.22375	0.6
324.26987	0.3
332.22275	0.6
339.12292	0.4
340.26324	1.2
346.23862	0.3
356.25943	0.4
358.23553	0.2
358.27615	0.3
360.25543	0.2
368.25806	4.3
374.27002	0.2
386.26871	2.9
402.30145	0.5
404.28189	0.7
414.30319	0.3
418.29526	3.2
430.29572	1.6
442.29718	0.5
442.71429	0.2
446.32770	0.3
448.30557	12.8
449.30984	0.7
458.32742	0.3
460.30396	1.0
474.32037	0.3
488.33908	1.1
504.33194	9.3
505.33777	0.5
666.38428	100.0
667.38818	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	666.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84246	2.7
55.05487	2.5
69.35533	12.7
79.05509	3.3
90.57407	2.8
95.04942	3.0
99.68784	2.9
114.21400	3.4
123.45753	2.8
137.05965	3.8
139.07512	10.6
153.05421	3.7
155.06975	3.2
167.07030	11.1
169.04889	3.7
181.08641	3.5
183.06468	5.5
185.04550	3.7
196.62061	2.8
197.04462	9.8
197.08119	11.0
199.09488	3.1
200.06819	3.6
202.78798	2.5
211.09723	4.8
212.06816	12.5
227.09135	100.0
237.11227	5.3
286.28644	2.6
339.36142	2.8
352.79532	3.4
403.28464	3.5
497.66687	3.2
617.36438	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75010	0.3
68.11249	0.3
69.03441	0.3
69.27044	1.3
79.05497	0.3
81.07056	0.4
85.02918	0.9
93.07005	0.3
95.08613	0.4
97.02886	0.4
105.01894	0.8
105.07065	0.4
107.08600	0.4
109.02861	0.4
117.13412	0.3
117.56860	0.3
127.03934	0.8
132.94914	0.3
133.10139	0.4
138.06155	0.3
139.03986	0.4
203.06754	0.5
204.18362	0.3
205.04774	0.5
208.55139	0.3
237.09360	0.3
257.10468	0.4
425.12061	3.1
440.14331	6.1
617.38672	0.3
657.92444	0.3
667.23547	100.0
668.23853	7.5
668.34796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43135	0.4
58.34899	0.5
65.79758	0.5
69.29338	2.3
76.51444	0.4
85.02920	0.4
94.42657	0.4
127.03925	0.8
134.06177	0.5
170.70276	0.4
175.06973	0.3
184.99037	0.4
205.04887	0.7
219.06203	0.4
247.78311	0.4
249.07407	0.6
347.09509	1.0
407.48688	0.5
425.12122	3.7
439.14383	0.6
440.14435	6.6
477.33139	0.4
477.67627	0.4
522.88477	0.4
666.38507	0.7
667.23560	100.0
668.23840	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	667.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.5
65.93237	0.3
67.05499	0.6
69.07033	0.9
69.65188	1.3
80.05019	0.3
84.04511	0.4
85.02864	0.4
94.06562	3.3
95.04943	0.5
97.06487	1.0
110.06020	1.7
122.06030	10.2
123.04390	0.6
124.07558	0.9
130.33916	0.3
136.07542	0.9
136.24310	0.3
140.07059	9.9
146.06001	7.6
147.06729	1.3
148.07573	9.6
149.07036	0.6
150.05484	1.3
152.07053	1.7
158.09587	0.9
160.07613	1.7
170.09549	0.9
172.03951	1.6
172.07616	0.6
174.05505	1.5
174.09038	0.5
175.08620	0.5
175.12331	1.1
185.10693	0.5
186.09174	3.8
187.08670	1.2
188.07086	0.5
188.09390	0.4
189.10185	0.6
190.04991	6.9
191.05702	0.5
192.06551	1.3
196.07565	0.6
198.09167	1.2
200.07094	0.9
200.10686	1.6
201.10216	0.5
202.08759	0.6
202.10995	2.2
203.08226	0.5
203.11774	4.4
213.10228	1.7
214.08626	9.0
214.10579	0.3
215.08147	4.4
215.11581	0.6
217.09697	1.5
227.08163	0.7
227.11740	1.1
228.06549	0.4
228.10172	3.2
229.09651	2.3
230.08401	0.4
230.10486	1.6
231.11282	5.9
240.08766	0.5
241.09726	2.9
242.08185	2.1
243.11354	1.4
245.09209	2.3
245.12904	0.6
246.09752	0.5
247.10767	1.3
255.11276	6.0
256.09610	2.6
257.09067	0.5
257.12897	1.4
258.09930	0.6
259.10773	72.3
260.11188	2.0
271.10791	1.7
272.11499	0.7
273.12299	6.2
275.10300	0.7
283.10718	3.8
287.10291	1.6
287.13876	6.6
289.11923	0.5
297.94852	0.4
301.11823	63.0
302.12152	2.2
305.11322	0.5
313.11963	1.1
317.11215	0.5
319.12878	100.0
320.13101	2.6
331.12903	2.7
335.12283	1.9
337.13937	32.5
338.14456	0.7
396.02612	0.5
403.16672	0.5
423.44366	0.5
446.17111	0.6
447.18097	0.9
464.18359	0.7
465.18964	0.6
508.17282	0.6
563.41962	0.4
587.24817	1.0
605.26074	5.8
667.27844	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.5
65.93237	0.3
67.05499	0.6
69.07033	0.9
69.65188	1.3
80.05019	0.3
84.04511	0.4
85.02864	0.4
94.06562	3.3
95.04943	0.5
97.06487	1.0
110.06020	1.7
122.06030	10.2
123.04390	0.6
124.07558	0.9
130.33916	0.3
136.07542	0.9
136.24310	0.3
140.07059	9.9
146.06001	7.6
147.06729	1.3
148.07573	9.6
149.07036	0.6
150.05484	1.3
152.07053	1.7
158.09587	0.9
160.07613	1.7
170.09549	0.9
172.03951	1.6
172.07616	0.6
174.05505	1.5
174.09038	0.5
175.08620	0.5
175.12331	1.1
185.10693	0.5
186.09174	3.8
187.08670	1.2
188.07086	0.5
188.09390	0.4
189.10185	0.6
190.04991	6.9
191.05702	0.5
192.06551	1.3
196.07565	0.6
198.09167	1.2
200.07094	0.9
200.10686	1.6
201.10216	0.5
202.08759	0.6
202.10995	2.2
203.08226	0.5
203.11774	4.4
213.10228	1.7
214.08626	9.0
214.10579	0.3
215.08147	4.4
215.11581	0.6
217.09697	1.5
227.08163	0.7
227.11740	1.1
228.06549	0.4
228.10172	3.2
229.09651	2.3
230.08401	0.4
230.10486	1.6
231.11282	5.9
240.08766	0.5
241.09726	2.9
242.08185	2.1
243.11354	1.4
245.09209	2.3
245.12904	0.6
246.09752	0.5
247.10767	1.3
255.11276	6.0
256.09610	2.6
257.09067	0.5
257.12897	1.4
258.09930	0.6
259.10773	72.3
260.11188	2.0
271.10791	1.7
272.11499	0.7
273.12299	6.2
275.10300	0.7
283.10718	3.8
287.10291	1.6
287.13876	6.6
289.11923	0.5
297.94852	0.4
301.11823	63.0
302.12152	2.2
305.11322	0.5
313.11963	1.1
317.11215	0.5
319.12878	100.0
320.13101	2.6
331.12903	2.7
335.12283	1.9
337.13937	32.5
338.14456	0.7
396.02612	0.5
403.16672	0.5
423.44366	0.5
446.17111	0.6
447.18097	0.9
464.18359	0.7
465.18964	0.6
508.17282	0.6
563.41962	0.4
587.24817	1.0
605.26074	5.8
667.27844	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3304
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
55.05513	1.1
57.03452	1.8
57.45475	0.3
61.02925	3.0
67.05501	3.3
69.03430	2.1
69.07066	1.2
71.01330	0.3
71.04987	1.0
71.43253	0.4
73.02928	2.0
79.05499	3.8
81.03411	2.9
81.07062	2.8
83.05002	1.0
83.08624	0.7
85.02911	4.3
85.06550	0.4
91.03967	2.9
91.05499	1.9
93.07052	3.6
95.04965	1.4
95.08646	0.9
97.02900	3.6
97.06530	1.2
97.10189	0.6
99.04494	0.7
101.02399	1.1
103.04015	0.4
105.07038	1.1
107.04996	0.5
107.08602	2.4
109.02895	0.9
109.10162	0.6
111.08083	0.5
117.07043	0.7
119.08574	0.9
121.10194	0.7
127.03938	1.3
131.08603	0.7
133.10170	1.0
135.11710	4.5
135.94557	0.4
145.10158	1.1
147.11722	0.6
157.10092	0.7
163.11195	0.5
163.31699	0.4
181.12242	0.6
185.04259	0.5
193.12305	1.3
210.33968	0.3
221.11572	0.8
243.08409	2.0
243.10544	0.4
251.12688	1.1
255.15971	0.8
267.83121	0.4
439.19370	11.0
440.19861	0.5
469.20367	4.9
470.20740	0.5
505.28668	0.4
667.32990	100.0
668.33411	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	667.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45822	0.4
55.01853	0.5
55.05513	1.5
57.03438	2.3
61.02928	4.6
67.05508	6.0
69.03428	2.4
69.07070	1.9
69.29753	2.3
71.01349	0.8
71.05004	0.7
73.02915	4.0
79.05481	0.5
81.03416	1.3
81.07064	2.7
83.08620	1.9
85.02916	5.4
91.03964	3.2
93.07043	1.0
95.08620	1.9
97.02892	4.4
97.10178	0.7
99.04485	0.7
101.02388	1.8
107.08607	1.1
109.02904	0.8
109.10163	7.0
115.04024	0.5
121.10169	0.9
127.03938	1.9
135.11703	0.7
136.48808	0.4
137.13374	0.5
155.10603	0.8
173.11789	1.4
185.04309	0.7
194.07507	0.4
195.09944	0.6
203.05289	0.5
215.44135	0.4
229.14345	0.6
237.80354	0.4
243.08490	2.1
311.25800	0.9
330.86261	0.4
336.22369	0.4
413.17801	7.8
419.94272	0.5
495.29492	4.7
667.40271	100.0
668.40729	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	668.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01871	2.4
55.05517	0.7
57.03423	1.8
57.07059	1.7
60.72989	0.7
61.02938	1.2
65.03928	0.8
66.60354	0.7
67.05508	6.5
68.99789	2.0
69.03426	13.1
69.07065	3.9
70.35567	0.7
71.04990	1.4
71.15016	0.7
71.46268	0.7
73.02904	1.6
79.05489	10.7
81.02665	0.8
81.03416	11.7
81.07053	100.0
82.07392	1.2
83.04974	2.5
85.02904	28.8
87.00830	11.4
91.03948	0.7
93.07053	1.0
95.04976	2.0
95.08602	20.4
97.02893	13.5
99.04478	4.5
101.02393	0.8
103.03938	1.6
105.01860	13.7
109.02873	19.5
109.10149	1.6
111.04443	2.3
115.03944	0.8
123.04428	2.2
125.02346	2.0
127.03917	32.4
129.01855	1.4
137.05887	0.8
137.13246	19.1
138.08176	0.6
139.03894	1.5
145.04953	7.8
147.02911	0.9
150.63448	0.6
151.03906	2.8
159.02922	3.0
165.05504	1.2
169.04926	4.2
171.03035	0.8
175.03941	0.9
187.06046	3.2
189.03943	6.8
193.05011	2.5
213.03937	7.0
231.04964	11.3
235.05991	1.6
245.46027	0.7
249.06041	3.8
255.04994	1.7
256.12872	0.9
269.06320	0.9
273.06015	25.2
297.06030	1.3
315.07037	3.5
333.08093	1.5
339.07123	5.9
344.26669	0.8
357.08224	2.7
425.06937	0.9
443.08249	3.1
461.09274	6.2
479.10315	3.1
668.23877	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	668.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54344	0.5
53.03929	1.1
55.01871	1.0
55.05511	3.0
57.03429	1.0
57.07064	2.3
61.02918	1.3
65.03930	0.6
67.05496	5.4
68.27315	0.4
68.99789	1.0
69.03420	3.4
69.07059	5.4
70.69958	0.8
71.04983	0.7
71.08617	1.7
79.05488	1.9
79.55009	0.6
81.03414	1.0
81.07052	7.6
83.04974	0.8
83.08616	1.6
85.02900	14.3
91.05488	2.6
91.44754	0.5
93.07036	2.1
95.04981	1.3
95.08604	5.2
97.02888	3.8
98.13824	0.6
99.08072	0.7
105.07016	1.9
107.04919	1.8
107.08575	1.2
109.02884	1.5
109.06542	1.1
109.10121	1.0
111.04440	7.7
111.11710	0.5
113.09644	0.7
115.05427	0.7
117.07025	0.7
119.04922	1.4
119.08569	2.0
121.02850	1.3
121.06451	0.7
121.10133	2.4
123.04427	15.6
123.08035	0.9
123.11650	0.5
127.03911	4.4
129.06958	0.8
131.08565	0.9
133.06464	2.5
133.10118	0.9
134.86839	0.5
135.04350	0.6
135.07999	1.3
135.11685	3.1
137.05983	3.0
137.13264	0.5
139.03891	73.9
140.04260	1.1
143.08577	0.9
145.04968	3.6
145.06459	1.0
145.10112	0.6
147.04391	6.6
147.08003	1.7
147.11650	1.1
149.05972	4.2
149.09708	0.7
151.03897	3.1
151.07475	1.2
153.05449	2.8
155.03409	4.4
157.10124	0.6
161.05981	7.2
161.09566	1.1
163.03897	7.5
163.06038	1.4
163.07530	5.5
165.05475	16.4
165.09116	1.0
167.06996	2.0
171.08009	0.6
173.05959	0.6
174.32114	0.5
175.07547	3.3
177.05421	2.2
177.09158	1.4
179.03369	2.0
179.07022	15.6
180.07307	0.7
185.13052	0.7
185.57851	0.6
189.05424	1.2
189.09061	1.7
189.16284	0.7
191.06985	3.2
193.08572	1.8
199.14803	1.2
203.07048	1.2
203.10698	0.9
205.04955	3.3
205.08578	0.7
205.12372	0.7
207.10098	0.9
209.13274	1.2
217.15894	3.1
219.06569	0.6
221.04474	1.2
227.10757	0.7
227.14294	3.4
229.04948	1.9
235.13290	0.8
235.16885	5.2
245.04411	0.9
245.15355	11.1
247.42928	0.5
255.13736	1.5
263.05408	0.6
263.16388	9.0
264.16699	0.6
273.14951	3.4
291.15878	57.9
292.16180	1.8
309.16934	100.0
310.17352	3.9
327.18011	8.0
329.17426	1.0
333.16873	5.5
351.18069	0.9
353.17313	0.6
357.16861	1.9
359.92236	0.5
375.18045	6.7
381.16864	2.0
386.77606	0.8
393.18903	3.9
399.17886	4.4
417.18869	4.2
435.20279	3.2
453.20996	1.0
529.14270	0.6
657.89771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.6
55.01855	1.4
55.05510	1.7
57.03431	1.4
61.02894	0.8
64.63238	0.5
65.03922	1.0
67.05498	5.2
68.99776	0.8
69.03442	2.9
69.07059	1.6
69.53711	1.7
69.69439	0.5
71.04978	1.0
79.05496	3.2
81.03410	1.5
81.07050	7.3
83.04967	1.0
83.08606	1.7
85.02901	11.0
85.06550	0.5
91.03956	0.8
91.05469	2.1
93.07056	3.3
95.04958	0.8
95.08614	7.6
97.02876	3.3
97.06488	1.4
97.10152	0.7
99.04430	0.7
105.07013	2.6
107.04952	1.0
107.08607	1.7
109.02884	2.4
109.06451	0.7
109.10131	1.3
111.04440	20.5
111.08025	0.8
114.93393	0.5
115.05437	1.0
117.07010	0.6
119.04932	3.0
119.08560	2.6
121.06496	1.5
121.10149	2.9
123.04433	8.8
123.11701	1.3
127.03916	3.1
129.07004	0.9
131.08527	0.7
133.06480	3.6
133.10097	0.9
135.04411	1.1
135.08081	0.6
135.11691	1.2
137.05965	2.2
139.03894	100.0
140.04198	1.2
143.08548	0.7
145.04907	2.7
145.06454	2.0
145.10115	0.8
147.04407	8.9
147.08046	1.4
147.11708	1.5
149.05975	6.0
151.03886	1.1
151.11110	0.9
151.13135	0.6
153.05440	2.7
155.03358	0.8
157.06490	1.4
159.04362	1.3
159.08037	0.7
161.05974	9.1
161.09679	0.9
163.03900	9.8
163.06148	1.0
163.07536	8.5
163.11130	0.6
165.05476	31.8
165.12726	0.9
167.07072	1.2
173.05954	4.1
175.07574	3.2
177.05457	4.2
177.09096	3.3
179.07024	38.7
180.07423	1.0
185.13304	0.5
187.03929	0.6
187.07561	2.0
189.05441	2.2
189.09044	2.6
191.07027	12.4
193.08603	3.7
199.07570	1.0
201.09018	0.7
203.06960	1.4
205.04951	4.8
205.08574	1.8
207.10191	1.2
209.13228	0.7
213.09077	0.8
215.07065	0.6
217.08463	0.7
227.14363	1.0
229.04936	1.2
231.13721	0.7
237.12766	0.8
245.08099	0.7
245.15326	1.2
249.14946	1.5
255.13823	4.6
265.18018	1.9
267.16016	2.9
273.14853	10.6
279.11188	0.9
280.11475	0.7
291.15894	41.9
292.16299	1.8
297.52939	0.5
309.16937	52.1
310.17224	1.9
315.15839	2.2
322.74811	0.7
327.18011	90.0
328.18338	2.5
332.87048	0.6
333.16806	3.5
338.12521	0.9
339.15897	0.9
351.18018	3.4
357.16809	4.8
375.17911	5.9
393.19037	2.0
399.17868	2.3
417.18903	1.6
452.22134	0.5
453.22037	1.3
600.23584	0.6
636.27228	1.6
669.25024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92295	1.9
55.01868	18.6
55.05517	1.9
67.05478	4.8
69.07078	3.1
71.42970	2.4
74.00669	20.2
74.32494	1.9
76.02224	6.8
76.03997	9.6
81.07054	7.3
83.01341	4.0
83.06090	7.5
83.08636	2.3
84.04505	29.6
85.03523	2.8
85.04026	40.8
87.02638	2.6
92.01702	16.3
95.08600	3.6
99.05598	3.0
109.10185	3.6
112.03970	19.3
113.03507	11.0
123.04420	2.3
124.26443	2.1
125.05965	3.2
129.06613	7.5
130.04999	85.6
131.04521	32.0
131.05450	2.1
137.05969	5.2
139.02168	1.9
139.03252	2.3
140.01695	2.5
145.06177	3.7
149.03813	1.9
153.05490	22.1
156.06543	3.3
157.03209	12.0
159.02174	1.9
160.00638	6.2
161.05984	3.9
162.02255	1.9
163.07530	3.4
163.97360	1.9
169.03197	2.7
173.09200	3.6
175.07439	4.6
177.03297	100.0
177.09123	11.0
179.01614	12.1
179.04892	7.3
179.06953	3.3
181.03221	2.7
181.06131	4.9
185.02521	26.0
185.03864	5.2
187.07590	3.3
193.03169	7.3
193.08617	11.6
195.04768	3.3
199.07181	2.3
201.09067	2.6
203.10580	2.9
205.08647	2.1
207.10297	2.1
209.06326	10.0
211.04230	5.8
215.10701	3.1
229.12160	1.8
231.04369	16.1
231.14020	2.0
235.09840	2.5
288.06476	2.9
299.20065	4.1
301.21643	16.0
306.07437	4.6
317.20972	2.3
333.18900	20.1
351.19794	9.4
361.23776	5.2
375.19742	7.3
377.21335	5.9
393.20819	17.5
419.22406	3.2
432.46469	2.0
436.25092	23.8
521.26685	6.8
539.20154	4.0
539.27863	52.6
540.27899	2.7
593.20581	2.3
593.29102	34.1
648.47247	2.2
650.31281	4.0
668.33044	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	668.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01866	0.7
55.05506	6.1
55.77781	0.6
56.74355	0.6
57.03438	13.2
57.07058	0.7
59.04987	3.0
61.02916	1.7
65.03934	0.8
67.05503	63.9
68.05856	0.7
69.03407	2.0
69.07045	2.3
70.15754	1.8
71.04984	3.6
79.05117	0.6
79.05492	7.4
81.03415	52.1
81.07052	13.1
83.04961	2.5
83.08621	16.3
85.02893	2.3
85.06517	2.2
91.03958	1.1
91.05473	13.1
93.07041	7.6
95.04968	15.3
95.08607	6.6
97.02866	1.8
97.06530	0.9
97.10155	1.8
105.07024	8.4
107.04949	2.9
107.08588	5.2
109.06470	2.1
109.10155	65.5
110.10498	0.8
111.04427	1.4
111.08082	7.2
117.07005	1.2
119.08575	12.2
121.06487	2.1
121.10136	4.3
123.04415	0.7
123.08061	0.9
125.09624	0.9
129.07021	4.8
131.08566	6.3
133.06485	1.5
133.10086	2.7
137.09612	3.3
140.22861	0.7
142.07799	1.1
145.10065	1.6
147.07988	2.4
147.11674	5.3
149.09590	3.1
155.10663	6.5
157.10136	6.9
157.92059	0.6
163.11215	0.8
165.12721	1.4
167.03391	0.9
169.14288	0.8
173.10526	0.4
173.11725	17.1
175.11172	6.8
193.12230	17.7
193.13968	1.0
199.41829	0.6
203.10640	0.7
211.13298	1.8
213.12717	0.7
223.13298	0.9
229.14343	87.8
230.14725	2.0
249.14847	1.5
258.88116	0.7
267.15900	84.7
268.16165	2.4
299.18564	0.8
301.14258	1.2
329.21158	2.2
338.68787	0.7
385.23315	0.8
403.24792	9.0
421.25821	100.0
422.25986	5.1
455.86380	0.7
460.76221	0.8
463.26822	1.6
517.27936	1.0
547.28778	1.2
668.32861	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	668.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01872	3.1
55.05512	10.8
57.03436	14.8
57.07079	2.8
59.05014	2.8
67.05503	4.2
69.03431	9.7
69.07066	32.3
70.26627	2.0
71.01362	2.3
71.04991	68.9
71.08616	1.1
73.02919	7.2
73.06550	1.3
73.91167	0.9
75.04488	4.1
79.05495	3.9
81.07056	8.9
83.04980	36.2
83.08618	6.2
85.02902	100.0
87.04485	1.6
91.05484	1.0
93.07041	10.4
95.04961	6.8
95.08604	8.4
97.02910	1.3
97.06533	13.9
99.04446	4.3
101.06027	2.7
105.63788	1.1
107.08581	11.0
107.34445	0.9
109.02885	2.3
109.10136	4.8
111.04436	29.6
111.08081	4.0
111.11720	6.3
113.05997	4.5
115.07578	1.2
117.05518	3.2
121.06517	2.1
125.06016	2.4
125.13236	1.7
127.03954	2.4
129.05475	30.9
135.11687	40.5
137.05937	1.1
145.04941	1.4
146.08099	1.1
147.06497	10.6
153.05458	9.5
153.12741	80.0
154.13156	1.6
157.04938	1.9
159.06593	2.2
163.06007	1.8
164.09232	2.5
171.06508	5.0
171.13800	98.8
172.14131	2.7
183.06583	1.9
189.13168	2.0
189.14850	27.8
201.07587	4.1
212.16475	1.3
213.07619	2.6
239.09134	12.0
257.10181	5.3
275.11200	8.2
283.83105	1.2
293.12305	11.5
323.25867	1.7
335.16565	1.1
341.26825	11.7
346.19141	1.2
359.27890	11.6
592.91406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82819	16.4
55.65363	16.9
69.25596	100.0
71.01270	15.3
105.52058	18.9
109.06487	17.0
200.06744	26.7
227.09171	36.4
234.38699	16.2
623.37231	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52926	20.0
66.92472	19.5
67.05520	22.0
73.35613	19.0
79.18373	20.1
90.38593	19.7
94.67280	18.8
102.14736	22.7
119.54333	18.3
139.07487	20.9
171.81628	20.6
183.06546	26.4
185.04344	20.8
193.43739	23.3
197.08090	77.7
200.06927	24.5
213.49664	20.8
227.09171	100.0
328.41147	22.8
435.15433	21.7
651.40637	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2918
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
53.52271	0.6
69.38750	3.5
105.07083	0.6
142.75870	0.8
144.08064	0.7
146.06046	1.5
152.40445	0.8
153.47203	0.8
159.09201	1.2
174.05554	2.9
175.06108	0.8
192.06636	1.7
192.12941	0.8
196.10022	1.1
202.04971	10.5
209.10768	1.4
211.12346	0.7
220.06021	1.3
221.10783	1.7
222.11484	1.3
223.12439	0.8
233.10860	1.0
234.07596	12.9
234.09732	1.1
235.12410	1.7
235.73070	0.8
236.12990	0.9
247.12308	0.8
249.10315	1.0
249.13979	0.7
262.13373	1.3
274.13507	2.5
286.10229	0.7
286.13608	2.1
287.14261	1.0
288.15204	1.0
289.15808	1.3
300.15149	2.4
301.15741	1.0
302.16559	5.4
312.15109	1.0
314.13016	1.2
314.16379	1.0
315.13593	0.8
316.18170	3.0
326.16574	0.8
327.13882	1.3
328.14517	2.7
330.16092	1.0
341.15207	1.3
342.16293	1.9
388.17255	1.2
388.89182	0.7
389.17715	1.5
390.18286	0.8
391.19330	0.9
401.17746	1.0
402.18253	5.9
403.19180	2.7
404.20184	1.4
407.22092	1.4
414.18564	0.9
415.19284	2.1
416.20163	4.4
417.20963	5.1
418.21490	2.5
419.22446	1.7
428.20313	1.0
429.21115	1.3
430.21725	5.2
431.22528	2.2
435.21664	1.0
441.56659	0.8
443.18604	1.7
445.20346	2.1
447.22180	1.3
449.19626	1.1
458.21030	1.2
459.22150	1.7
460.22549	0.9
461.20084	1.4
463.21426	1.9
473.23810	1.5
474.21033	1.3
486.20633	1.3
487.20978	2.2
488.22079	1.6
489.18677	3.8
490.19919	1.5
491.20084	4.7
493.18713	1.6
499.20761	1.0
501.22891	5.1
503.20853	1.7
505.21976	1.2
507.20126	5.0
517.22162	1.3
518.23193	1.0
519.23499	0.9
521.21838	7.3
529.22070	0.9
531.24194	1.7
533.25427	1.4
535.23596	2.2
536.23926	1.6
537.24762	0.9
549.21637	2.9
559.23462	9.0
560.24268	1.1
561.25250	9.4
563.22906	8.5
564.23712	6.4
576.23737	1.6
577.24274	2.8
578.25189	1.2
579.22266	1.2
587.22833	0.9
591.26471	2.3
593.27405	2.6
605.24091	5.1
619.25531	33.1
620.26135	5.7
622.24677	3.1
636.25726	1.4
637.26556	64.3
638.26837	5.2
651.28119	100.0
652.28345	7.4
669.29608	0.9
669.41998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05511	1.0
55.35855	0.4
57.03441	1.7
61.02923	3.4
67.05503	5.6
69.03426	2.2
69.07074	1.3
69.08802	2.8
71.01356	0.4
71.04984	3.1
73.02927	1.9
79.05496	3.0
81.03423	1.5
81.07076	2.0
83.04967	1.2
85.02899	3.2
85.23259	0.4
87.04475	0.6
91.03953	2.0
91.05497	1.7
93.07045	3.9
95.04961	0.7
95.08621	1.4
97.02895	3.4
97.06522	1.0
97.10226	0.6
98.22662	0.7
99.04481	0.7
101.02380	1.6
103.03940	0.5
105.07043	0.5
105.88005	0.4
107.08558	2.4
109.02910	1.1
109.10143	2.8
119.08629	1.2
121.10154	0.8
127.03961	1.2
133.10118	0.7
135.11691	4.1
137.09653	1.6
145.05023	0.6
145.10197	0.8
147.11850	0.4
169.12289	0.7
173.11804	0.5
181.12242	0.9
221.11595	0.7
243.08354	2.1
244.08945	0.5
249.71866	0.4
253.14233	1.5
307.79562	0.4
330.71942	0.5
439.19394	8.4
440.59506	0.4
471.21951	6.9
472.22202	0.6
474.22549	0.4
507.29037	0.7
669.34528	100.0
670.34955	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	669.361
Annotation	Myrtucommulone A
Peak:m/z	Relative Intensity
57.87713	3.4
59.54906	4.5
62.98267	4.0
63.53112	3.6
71.34676	4.5
81.56230	4.9
102.47621	4.4
121.38901	3.9
124.70795	4.1
136.92871	3.9
184.58121	4.2
217.05016	4.7
609.26477	6.2
669.35883	100.0
670.35736	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	669.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70732	0.1
57.07071	0.5
58.07402	0.2
67.01625	0.2
67.20963	0.1
68.02411	0.3
69.23862	0.4
69.24262	0.3
81.66291	0.1
83.01102	1.3
89.06048	0.6
90.06361	0.2
91.40128	0.1
95.04729	0.3
98.03436	0.3
106.88483	0.1
110.03406	0.2
111.04199	2.5
112.04992	0.6
113.05770	0.2
122.06857	0.1
125.05729	0.1
126.06553	0.2
127.03687	1.7
133.08614	0.2
139.07323	0.4
140.08138	0.2
141.05249	0.5
142.06017	0.3
155.06789	2.5
156.07622	0.5
167.30107	0.1
169.08382	0.3
170.09178	0.3
171.06277	1.6
183.09955	0.5
184.10745	0.3
185.07959	0.3
186.08693	0.2
199.09419	1.9
200.10246	0.5
213.10924	0.2
214.11806	0.5
215.08893	0.8
227.12573	0.5
230.11298	0.3
232.09512	0.2
243.12021	1.8
246.10620	0.1
252.97990	0.1
257.13715	0.3
259.11484	0.7
271.15213	0.9
273.13083	0.2
287.14563	0.9
303.14072	0.4
315.17822	0.5
331.17279	1.4
347.16849	0.5
375.19806	0.3
391.19409	0.5
419.22421	1.0
435.21970	0.9
463.25165	0.3
505.62711	0.1
557.29163	0.5
597.32452	0.9
611.34430	0.2
669.41785	100.0
670.42169	7.7
689.79279	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	669.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
57.03430	2.0
57.07071	2.8
59.05004	0.6
59.44761	0.5
61.02932	4.2
63.08019	0.5
64.28922	0.5
67.05502	5.1
68.80929	0.4
69.03419	2.1
69.07061	0.6
69.36012	2.2
71.04995	0.6
71.08630	1.9
73.02920	3.1
76.53790	0.4
81.03424	1.2
81.07058	1.7
83.08636	0.9
83.58327	0.4
85.02914	4.6
85.10200	1.3
87.04424	0.4
91.03954	3.9
91.05483	0.6
94.22758	0.5
95.08634	1.9
97.02898	3.9
98.22728	0.9
99.04481	1.2
101.02393	1.9
103.03956	0.7
109.02885	0.6
109.10152	6.0
111.08078	0.6
127.03954	1.8
132.22797	0.4
145.04939	0.5
173.11732	3.3
185.04291	1.1
195.09993	1.3
203.05290	0.6
229.14417	1.4
236.53496	0.5
243.08339	2.4
313.27478	1.3
315.53604	0.5
320.13535	0.4
395.05984	0.5
413.17810	12.0
414.18106	0.7
497.30762	6.5
507.35989	0.8
643.32483	0.5
669.41815	100.0
670.42303	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	670.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.8
53.03952	0.3
55.01875	0.4
65.03938	1.4
65.08263	0.2
67.02744	0.2
67.05495	0.6
68.99788	0.8
69.21421	0.6
69.21828	1.0
77.03879	0.2
83.04961	0.3
91.05495	1.3
95.04957	0.6
98.22739	0.6
102.04710	0.4
103.05410	0.2
105.04521	0.4
105.07047	1.0
106.93720	0.3
107.04975	0.5
111.00811	1.1
111.04419	1.6
119.04955	1.1
121.02864	1.1
121.06557	0.3
123.04439	2.7
127.03960	0.3
130.04140	0.6
133.06476	0.9
135.04472	0.6
137.05974	4.9
139.03902	100.0
140.04237	1.1
145.02858	0.3
147.04416	1.5
149.06000	1.5
151.03909	21.6
151.04883	0.9
152.04311	0.3
159.04381	0.5
161.05989	3.1
162.06740	1.9
163.03914	4.4
165.05464	0.3
167.07104	0.7
169.89159	0.2
175.03909	0.8
177.05438	0.8
179.03375	0.3
179.06982	1.3
181.04916	0.5
183.08096	0.3
187.03896	0.5
190.34999	0.3
193.04964	0.8
196.05235	0.6
197.05919	0.6
201.05476	0.5
205.04929	3.0
205.08316	0.3
206.49101	0.2
207.04465	0.4
211.07565	1.1
212.08253	0.4
213.05455	0.3
225.05511	0.4
229.04897	0.6
236.04633	0.4
239.07065	0.4
240.07762	0.8
241.05080	0.3
247.05977	0.5
251.07062	0.3
253.04738	0.3
268.07111	0.5
271.06158	0.5
279.06509	0.6
281.08148	0.8
283.09656	0.6
286.08023	0.3
287.05643	0.4
287.09015	0.5
289.07053	13.7
290.07175	0.5
297.07440	0.8
299.09134	6.4
311.09195	2.3
315.08795	0.4
317.10309	0.5
329.10193	8.4
330.10526	0.3
347.11270	1.4
355.11783	0.5
451.26419	0.3
460.39767	0.3
536.89581	0.3
554.44836	0.3
585.13599	0.4
601.85150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05507	1.1
57.03437	1.2
61.02919	1.5
61.76661	0.2
68.08873	0.2
69.03426	5.3
70.08230	0.5
71.04980	0.5
72.35146	0.2
73.02900	0.9
79.05492	1.3
81.03435	1.5
85.02905	22.2
86.03273	0.2
87.04482	0.4
89.89379	0.2
91.03958	1.1
91.05467	2.0
93.06457	0.2
93.07037	4.2
95.04960	0.8
97.02894	6.3
99.04449	0.9
103.03938	0.4
103.05437	0.3
105.07050	1.6
107.04955	14.2
107.08603	0.8
107.62323	0.2
109.02893	2.1
109.06505	0.7
115.03898	0.4
116.06243	0.3
117.07071	0.2
119.08580	0.4
119.50360	0.2
121.06503	5.0
121.10139	5.4
122.25225	0.2
123.08043	0.4
127.03910	5.7
129.06993	0.4
131.08575	1.7
132.08972	0.2
133.06439	0.8
133.07487	0.4
134.07251	1.4
143.07666	0.2
145.03824	0.5
145.04961	9.5
145.06461	0.8
147.08041	0.7
149.09615	100.0
150.09982	1.2
151.11192	0.7
159.08005	0.3
161.05907	0.4
163.06020	4.2
163.07352	0.2
163.11183	2.9
164.11609	0.3
165.64085	0.2
173.09607	0.6
175.11105	0.3
179.10797	0.2
185.09613	0.3
187.07574	0.4
187.11179	0.8
189.09036	0.3
191.10699	2.0
203.10707	0.5
205.08548	0.2
207.10199	0.7
215.10648	1.3
229.12248	0.5
233.11821	0.4
257.11868	0.5
275.12787	4.1
293.13843	4.4
311.14880	17.8
312.15219	0.4
325.11258	1.9
347.12122	1.0
431.79904	0.2
445.43393	0.3
454.60120	0.3
477.49030	0.2
535.06232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.3
54.66757	1.0
55.05265	1.6
55.05510	23.4
57.03438	5.4
57.07080	13.2
58.26308	1.0
59.04985	1.2
61.02640	1.8
61.02929	28.7
65.03931	1.2
67.05163	2.0
67.05505	34.8
69.03426	2.3
69.07067	39.2
71.04973	2.8
71.08628	9.1
73.02917	11.0
75.04464	1.8
79.05495	16.7
81.03412	1.8
81.07054	46.2
83.04934	1.6
83.08620	38.8
85.02409	1.8
85.02903	33.4
85.06544	2.9
85.10165	2.4
87.04460	1.7
89.06020	1.4
91.03956	31.0
91.05482	2.3
93.07045	23.0
93.14278	1.1
95.04930	1.5
95.08607	37.4
97.02892	17.9
97.06523	8.7
97.10168	24.1
99.04458	1.5
99.08072	2.1
105.07011	1.7
106.58570	1.1
107.08585	17.5
109.02898	1.7
109.10147	17.5
111.08086	6.5
111.11727	8.1
113.09628	1.8
115.03905	2.0
115.11198	1.8
121.09264	2.4
121.10144	42.3
123.11708	14.4
125.09611	3.7
127.03918	11.5
133.08577	1.2
135.11693	33.3
136.11938	2.2
137.13242	11.4
139.11140	4.4
143.10687	1.5
145.04959	16.4
149.13245	17.2
151.14850	1.7
153.12715	2.3
163.06015	25.4
163.14812	7.9
163.50490	1.0
167.14359	1.4
219.21077	43.0
220.21527	1.6
237.22119	100.0
238.22440	3.3
255.23195	26.6
311.25793	80.0
312.26074	4.2
319.70587	1.3
329.26843	97.1
330.27130	4.4
445.29416	8.2
463.30582	3.1
565.15924	1.3
627.20074	1.2
670.42627	1.8
675.29443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94189	5.2
55.05511	26.7
57.03440	14.3
57.07080	21.5
58.53656	5.5
61.02927	33.7
67.05508	39.9
69.07063	43.1
69.09023	39.3
71.08643	8.3
73.02911	8.4
79.05488	18.8
81.07050	56.4
83.08604	38.7
85.02896	30.1
89.35953	6.5
91.03963	21.6
93.07050	24.5
95.08610	44.7
97.02883	18.2
97.10165	27.5
103.66760	6.7
107.08631	14.3
109.10172	23.9
110.37280	6.3
111.08109	6.9
111.11701	6.8
121.10133	46.7
123.11706	17.0
125.09590	5.3
127.03886	11.2
135.11679	37.2
137.13298	13.4
145.04944	21.1
149.13225	13.0
150.95897	5.6
163.06070	25.5
163.14786	9.5
219.19194	5.4
219.21097	34.7
237.22141	100.0
242.10857	5.9
255.23235	28.4
311.25784	98.1
329.26822	76.0
600.69373	5.9
670.93634	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	672.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01872	3.1
57.03429	1.9
61.02930	2.0
65.03949	1.9
67.05526	0.4
68.99784	1.0
69.03429	8.3
69.31321	1.5
69.49911	0.3
71.05006	2.0
73.02922	3.3
76.59439	0.3
81.02960	0.5
81.03420	9.3
81.07051	0.4
83.01344	0.5
85.02906	24.9
87.00832	9.3
87.04484	0.7
89.06010	0.3
91.05482	100.0
92.05823	1.3
93.07050	0.3
97.02893	17.3
98.22725	0.6
99.04460	5.3
101.02367	0.4
105.01868	10.5
105.07067	0.4
109.02879	10.5
111.04459	0.3
114.96050	0.3
115.03944	0.4
117.01851	1.7
127.03918	24.7
128.04222	0.3
129.01862	1.2
129.07042	0.3
137.02350	0.8
137.05974	1.2
145.04961	16.9
147.02899	1.1
159.02881	7.5
167.03381	0.9
177.04012	0.4
195.06528	0.8
207.21565	0.3
213.03946	1.3
227.07065	0.6
231.05019	5.2
245.08092	6.5
249.06052	0.7
314.10590	0.3
321.09470	0.3
409.75305	0.3
425.17841	0.7
491.30353	0.5
509.31036	0.6
510.31265	0.6
547.87561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.2
57.03425	0.7
59.92432	0.2
61.02920	0.3
68.07680	0.2
69.03432	1.1
69.08913	1.2
73.02923	1.4
80.05874	0.2
85.02897	2.0
91.03944	0.2
91.05487	0.5
97.02897	1.1
103.05446	0.2
115.03934	0.4
115.05465	0.5
116.89653	0.2
117.07033	0.3
118.14664	0.2
127.03902	0.7
127.90852	0.2
128.06197	0.8
129.07002	3.3
131.04900	0.4
131.08572	4.5
133.04913	0.3
137.05988	1.2
141.06984	3.5
143.04903	0.3
143.08559	0.4
144.05675	0.2
144.56067	0.2
145.04971	0.5
145.06471	0.4
147.04414	0.2
149.05978	0.3
151.07561	0.4
157.06468	3.6
158.07272	1.4
159.08057	4.7
160.05194	0.5
161.09624	0.3
162.07700	0.3
163.07585	0.4
169.06462	2.1
169.07706	0.3
170.07314	0.9
171.08035	0.6
173.09569	0.3
174.06764	8.6
175.07529	2.4
177.05238	0.2
177.09093	0.4
180.08722	0.3
186.06790	1.8
187.07559	0.3
188.08308	0.7
189.09100	20.9
190.09451	0.4
191.07024	0.3
191.10672	1.5
201.09093	7.0
203.10696	2.0
207.10080	0.5
209.08061	0.6
219.10153	100.0
220.10455	2.1
221.11751	1.6
237.11227	3.8
296.16144	0.2
307.49835	0.2
311.14935	0.2
381.15372	0.6
405.06702	0.2
489.11578	0.2
558.38452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03939	2.2
55.01874	1.1
55.05259	0.7
55.05506	8.9
57.03439	2.7
57.03658	0.5
57.07067	1.4
59.04985	1.5
60.02259	0.5
61.02905	1.8
65.03920	0.6
67.05500	3.2
68.99772	0.8
69.03429	8.7
69.07061	4.0
69.38219	0.5
71.01383	0.5
71.04984	3.0
71.13992	0.5
73.02908	1.4
79.05486	4.0
81.03410	5.6
81.07050	7.4
83.04970	8.5
83.08611	10.1
85.02902	16.5
85.06528	2.8
86.72951	0.5
87.00827	6.6
91.05457	3.7
93.07036	9.4
95.04964	33.5
95.08604	5.5
97.02891	9.3
97.06528	3.3
97.10161	1.3
99.04455	10.3
99.08059	1.0
105.01866	8.0
105.07027	7.7
107.08587	15.5
109.02876	9.1
109.06512	8.5
109.10159	10.6
111.08064	2.7
113.05988	1.5
113.09678	0.6
115.07536	1.1
117.01842	0.7
117.06934	0.9
119.08587	5.9
121.06481	1.2
121.10142	28.5
123.08055	2.4
123.11713	3.6
125.09621	2.4
127.03025	1.0
127.03914	13.0
127.07554	0.8
129.01784	1.0
129.06975	2.0
131.04877	0.6
131.08557	6.5
133.10126	16.4
133.66826	0.5
135.08034	3.2
135.11697	3.8
136.06172	0.7
137.05969	1.6
139.11150	2.5
141.07018	1.2
143.08499	1.4
145.04994	4.2
145.10091	4.0
147.08032	0.9
147.11685	4.7
149.06032	0.6
149.09586	1.1
149.13249	5.2
151.11160	10.3
152.11472	0.5
153.09097	12.9
154.09407	0.5
157.06493	1.8
157.10083	0.7
157.12216	0.6
158.10883	1.9
159.02895	1.3
159.08012	2.2
161.09615	0.9
161.13336	0.8
163.11211	1.0
163.14804	5.9
165.12793	0.8
167.14296	9.5
169.06424	1.1
169.10085	0.6
171.07939	0.8
171.10220	1.0
171.11583	0.5
173.09605	1.0
173.13243	16.3
174.06754	4.6
174.13660	0.7
175.07494	1.7
175.14803	7.7
186.06870	1.3
187.07564	0.7
187.11200	0.5
187.14717	0.6
189.09094	11.5
191.10608	0.9
191.14302	21.3
193.15906	0.7
195.10100	0.7
201.09093	3.2
203.10660	0.9
203.14218	0.6
207.10271	0.5
207.13783	0.6
209.15353	100.0
210.15631	3.2
210.65829	0.6
213.03955	1.4
215.09027	0.5
219.10150	46.1
220.10475	1.9
221.11740	0.6
221.62115	0.6
227.16406	11.4
229.15736	0.6
231.04964	4.9
231.13715	0.8
233.15327	2.3
234.13474	0.8
235.09616	0.6
237.11235	2.0
245.15430	0.8
249.05977	1.8
251.16371	1.6
253.16211	0.6
261.14807	0.8
263.16373	1.3
271.16962	1.2
275.16367	1.5
299.16391	3.4
317.17520	5.3
335.18497	0.6
353.19418	0.9
371.20587	0.9
377.19659	0.6
403.17520	6.8
421.18433	4.1
439.19678	3.5
457.20648	2.4
591.95563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48752	0.5
51.02379	0.6
53.03949	1.5
55.01868	1.6
55.05517	7.5
57.03441	4.9
57.07058	0.8
59.05003	0.6
61.02937	0.6
65.03947	0.6
67.05509	33.3
69.07069	8.3
71.04996	2.0
77.03925	1.2
79.05499	33.9
81.03416	3.1
81.07060	35.5
83.04995	5.8
83.08623	7.0
83.99708	0.6
85.02889	1.2
85.06546	2.0
91.05484	23.2
93.07050	37.7
94.07364	0.8
95.04969	8.5
95.08607	13.7
97.02900	0.7
97.06538	5.4
97.10180	2.0
98.23540	0.8
99.08109	1.5
105.04530	1.5
105.07035	14.8
107.04969	1.7
107.08596	13.6
109.06539	2.4
109.10150	2.7
111.08068	3.1
111.11732	0.5
113.09605	0.5
117.07020	5.4
119.08580	8.4
121.06468	0.7
121.10163	6.9
123.08113	1.9
128.06178	0.8
129.06999	6.8
131.08569	3.8
133.10107	6.0
135.11684	2.9
139.11244	0.6
143.08539	3.1
145.10126	2.7
147.08121	1.2
147.11687	13.0
149.13251	10.5
159.11746	3.8
161.09680	1.4
161.13252	3.3
163.11206	1.2
171.11685	7.7
177.12793	1.8
178.19456	0.5
184.97455	0.6
189.12743	3.8
195.13852	2.8
207.13794	8.5
225.14870	1.1
269.17496	22.9
270.17789	0.6
281.17487	30.7
282.17841	0.9
373.32483	0.5
457.30087	0.8
475.30576	100.0
476.30911	7.6
536.08929	0.6
619.35040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.3
55.01878	1.5
55.05512	7.3
57.03446	3.7
58.71779	0.9
65.03938	1.0
67.05507	27.9
68.05830	1.0
69.07073	6.3
71.04999	2.6
79.05493	24.3
81.03417	3.0
81.07060	28.0
83.05010	4.9
83.08620	5.7
85.06584	1.1
91.05485	20.3
92.82475	0.9
93.07048	33.5
95.04961	7.6
95.08617	9.6
97.06554	4.5
97.10197	1.0
98.22718	2.6
98.90073	0.9
99.08084	1.2
105.04513	1.9
105.07030	13.3
107.04985	1.8
107.08594	13.4
109.06540	1.9
109.10193	2.7
111.08088	2.7
117.07035	4.2
119.08615	8.4
121.10183	5.1
123.08072	2.1
123.55248	1.0
123.71204	0.8
129.07028	4.6
130.04216	1.0
131.08600	3.7
133.10132	3.8
135.11719	2.7
138.41507	1.0
143.08585	2.6
145.10129	3.4
147.11691	11.1
149.13254	6.8
152.55869	1.1
155.79654	0.9
159.11693	3.6
161.09628	1.6
161.13272	2.6
168.31708	1.0
171.11682	8.0
177.12790	1.4
189.12778	2.9
195.13802	1.9
207.13792	10.1
269.17468	24.2
281.17471	23.4
282.17984	1.0
309.78796	1.0
314.48529	1.0
321.99133	1.2
328.25604	1.0
333.28430	1.2
385.58752	1.1
475.30560	100.0
476.30978	6.6
547.90869	1.0
639.47571	1.0
696.33435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96201	0.9
55.05507	3.9
55.49002	1.0
57.03443	2.0
57.07075	33.9
57.12469	0.9
61.02924	15.4
67.05505	9.1
69.07073	7.2
71.05019	1.1
71.08630	30.4
73.02912	4.6
75.04491	3.1
79.05540	1.1
81.07059	14.9
81.19719	0.8
83.08616	13.1
85.02905	17.8
85.06527	1.1
85.10181	18.5
91.03957	13.3
95.08607	24.7
95.09216	1.3
97.01887	0.9
97.02900	7.8
97.10175	5.2
103.07587	1.3
109.02851	1.0
109.10149	11.6
111.11723	1.5
115.03902	1.3
123.11695	5.0
124.26162	0.9
127.03875	4.8
137.13245	2.9
145.04947	8.4
151.14810	1.4
161.06010	1.7
163.06009	14.3
221.98798	0.9
239.23685	20.3
257.24811	3.4
301.16025	1.2
313.27356	100.0
314.27811	3.0
331.28394	45.6
332.28705	1.7
477.14313	1.1
494.67789	1.1
607.41107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05508	5.0
57.03180	0.5
57.03439	4.9
57.07075	41.4
58.07398	0.4
61.02925	14.2
67.05504	9.5
69.03422	1.8
69.06709	0.5
69.07066	7.5
71.05000	0.6
71.08630	31.3
72.09002	0.5
73.02913	5.4
75.04480	2.0
79.05491	0.7
81.03407	0.7
81.07057	16.9
82.07420	0.3
83.08617	11.3
85.02903	16.5
85.06526	0.4
85.10179	18.6
89.06029	1.8
91.03380	0.6
91.03954	13.0
91.05448	0.4
93.07043	0.7
95.08603	24.7
96.08905	0.4
97.02891	8.1
97.03487	0.5
97.06471	0.3
97.10170	5.4
97.10750	0.5
98.23427	0.7
99.04457	0.7
99.08122	0.3
99.11720	1.2
103.03938	0.5
103.07610	0.7
107.08573	0.3
109.02863	0.6
109.10152	11.7
111.11721	1.5
113.13248	0.4
115.03935	1.0
121.10117	0.4
123.10825	0.3
123.11697	5.0
123.12534	0.4
125.13280	0.9
127.03912	5.5
129.85580	0.3
137.13245	2.2
139.14787	0.7
145.04955	5.9
145.06076	0.4
149.02383	0.3
151.14821	0.8
163.06017	9.0
165.16418	0.7
177.76505	0.3
201.18445	0.2
221.22620	1.3
231.16687	0.3
239.23685	20.7
240.24052	0.7
257.24731	4.2
275.25879	0.4
298.27267	0.4
313.27344	100.0
314.24316	0.6
314.27731	4.1
329.78116	0.2
331.28409	34.2
332.28836	1.3
417.66821	0.3
475.32648	2.6
491.37485	0.3
637.37756	0.4
672.37964	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01859	0.8
55.05510	8.1
57.03439	9.5
57.07062	1.3
61.02629	0.5
61.02914	3.3
65.03936	1.6
67.05505	36.9
69.03438	1.1
69.06721	0.6
69.07073	9.2
69.42552	2.3
69.68411	0.6
71.04970	0.8
73.02911	1.5
77.03912	1.0
79.05497	16.1
81.03394	1.2
81.07056	23.0
82.07367	0.8
83.04982	1.4
83.08602	4.7
85.02871	2.9
85.06552	0.7
91.03956	0.8
91.05473	7.6
93.07040	20.0
95.04971	5.6
95.08605	100.0
96.08955	1.7
97.02898	2.0
97.06551	3.5
97.10158	1.0
98.22651	0.9
99.08102	0.6
103.03930	0.8
105.03394	19.1
105.04527	1.8
105.07035	6.2
107.08591	10.2
109.10162	8.3
111.08074	1.0
117.07027	2.7
119.08591	5.1
121.10123	8.2
122.10434	0.8
123.08080	3.1
123.11694	2.5
127.03928	0.8
131.08556	4.7
133.10130	3.7
135.11690	5.1
137.13202	0.8
141.09097	4.6
145.04895	0.7
145.10101	3.1
147.11696	3.3
149.02377	0.9
149.05981	27.9
149.13280	3.5
150.06332	1.7
151.14935	0.7
159.10176	10.0
159.11676	2.5
161.13251	2.5
163.14859	1.7
173.13281	2.5
175.14685	0.7
177.16434	0.7
193.04959	1.1
201.16394	0.7
201.61279	0.6
202.88676	0.6
212.87370	0.7
213.11169	3.6
215.12784	57.6
216.13104	2.5
216.42409	0.6
235.43149	0.6
243.21155	3.9
250.87975	0.6
261.22116	12.6
273.14542	0.8
297.07635	0.9
317.24771	2.3
320.44467	0.6
335.25800	53.0
336.26031	3.6
341.10178	2.8
365.28229	0.8
382.55557	0.8
383.29343	0.7
457.32660	1.3
475.34232	39.5
476.34445	4.6
493.18823	0.7
493.35153	3.6
526.06360	0.6
533.14465	6.5
534.14563	1.4
617.71783	0.7
636.40100	1.0
655.31647	0.9
694.80591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.5
53.03951	0.7
55.05507	6.1
57.03432	8.7
57.07077	1.5
59.89873	0.6
61.02915	2.8
65.03941	1.2
65.10091	0.6
67.05501	33.4
69.07058	7.3
71.04971	1.5
71.08620	0.6
71.44078	0.6
73.02928	0.7
79.05486	13.6
81.03431	0.8
81.07053	20.3
82.07402	0.6
83.04977	1.0
83.08601	3.0
85.02899	2.4
91.03930	1.3
91.05466	6.8
93.06447	1.1
93.07038	18.1
95.04961	2.0
95.08598	100.0
96.08963	1.3
97.02888	1.8
97.06509	3.9
97.07039	0.5
97.10158	1.4
99.08124	0.8
105.07031	4.9
107.08585	8.9
109.10156	6.3
111.08096	1.0
113.09685	1.0
117.07005	1.5
119.08562	4.8
121.10115	6.5
123.08070	2.7
123.11714	2.8
125.09609	0.6
126.16338	0.6
131.08569	3.4
133.10161	3.9
135.11670	4.8
137.13242	1.1
141.09111	5.7
145.10094	2.7
145.66141	0.7
147.11679	1.9
149.13254	3.1
159.10175	12.5
159.11620	2.4
161.13237	2.0
163.14780	1.7
173.13269	1.6
175.14737	0.8
187.14919	0.9
189.21956	0.6
201.16414	0.7
201.58667	0.6
213.11211	5.2
215.12770	58.6
216.13116	1.9
243.21141	3.7
261.22125	12.7
261.24530	0.4
301.62125	0.6
304.78464	0.6
307.45651	0.6
313.12061	0.7
317.24796	2.1
335.25769	42.1
336.26111	2.2
365.28397	0.9
383.29520	0.9
401.30240	1.2
457.32825	1.1
475.34201	23.0
476.34238	2.1
493.35175	2.6
629.29535	1.5
655.31134	1.1
672.42017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.7
69.07090	1.8
69.78555	1.5
70.06594	44.0
72.08156	79.4
77.12406	1.5
79.05485	2.4
86.09712	55.0
96.10979	1.6
96.28883	1.5
97.07678	5.3
103.05463	2.2
109.10110	2.1
115.08691	57.0
120.08105	64.4
122.53535	1.6
126.12804	1.9
138.49837	1.5
140.14381	3.5
165.10289	2.5
169.13419	5.0
171.14932	19.9
173.13303	1.6
174.12772	4.1
179.11937	2.6
183.14948	2.2
185.12836	2.8
185.16534	23.4
196.14496	6.8
199.14435	24.6
213.15997	16.6
214.15686	2.2
217.13449	8.3
219.14958	8.3
227.17647	2.4
247.14444	9.7
262.15530	19.1
298.21191	2.2
301.19278	2.2
312.22971	12.5
343.21326	4.1
360.23157	2.2
361.22479	7.2
383.30344	5.5
411.29648	8.8
445.28055	3.3
459.30017	4.5
474.30569	4.7
497.40515	1.9
505.01117	1.8
530.36951	2.9
558.36322	8.6
573.37653	8.5
654.43152	9.0
672.44421	100.0
673.44769	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	673.3404
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
58.22122	2.1
61.02922	2.9
61.03494	1.8
67.05506	6.4
70.06578	3.8
73.02921	2.6
81.03439	2.6
81.07038	2.8
85.02894	2.3
91.03946	2.4
95.08629	2.0
97.02890	2.7
103.44346	2.0
109.10225	2.5
133.10222	2.2
196.95549	1.8
213.15997	2.1
229.14397	2.2
243.08362	2.3
260.50720	1.8
283.15326	2.5
413.17850	7.1
420.08307	2.1
501.23190	7.4
673.25513	4.0
673.34143	100.0
673.43951	4.4
674.34247	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	674.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03450	2.7
59.25184	1.2
69.03436	2.4
81.03428	1.2
83.43122	1.1
85.02877	7.0
95.04963	2.0
98.97570	1.6
103.03969	3.0
131.04950	3.5
133.02853	6.3
133.54019	1.5
138.03154	1.9
139.03899	2.5
147.04402	4.8
150.03117	3.8
151.03833	1.5
153.05406	2.2
159.04466	7.2
162.03116	2.6
163.03925	2.0
165.05493	2.2
166.02657	2.0
168.14491	1.4
175.03949	4.5
176.04784	3.1
177.01817	10.4
177.05498	4.0
178.02620	1.3
179.03413	4.5
179.06830	1.3
180.00591	1.7
181.04974	25.7
181.06438	2.5
187.03914	4.7
191.03397	14.7
193.04939	8.4
194.02118	1.4
195.02888	9.6
197.04471	10.9
204.04198	2.6
205.04950	13.0
206.02115	1.4
207.02892	2.3
207.06512	4.2
209.04434	22.2
209.15385	2.2
211.02377	2.3
215.03442	3.2
216.04214	1.4
217.05037	1.8
219.02937	2.7
219.06447	8.7
219.10120	1.7
221.04433	13.4
223.02406	3.6
223.06009	2.0
225.04013	1.6
229.05090	1.7
230.02071	2.5
233.04430	16.8
235.06009	2.0
237.04037	2.0
245.04451	3.7
247.06033	14.8
251.05489	24.7
257.04477	2.0
263.05499	19.1
264.05969	1.3
275.05521	21.1
281.06503	4.9
293.06561	23.3
311.07605	17.4
329.08682	100.0
330.09100	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01891	0.4
55.05511	0.6
57.03439	0.6
61.82838	0.3
65.03942	0.6
67.05492	0.6
69.03424	1.4
69.44861	1.9
73.70766	0.3
75.11890	0.3
77.03905	0.8
79.05487	9.0
81.07062	0.8
85.02924	3.0
85.93828	0.4
91.05475	5.8
92.49057	0.3
93.07040	31.5
94.07352	0.7
95.04971	2.7
103.03928	0.7
103.05435	0.5
103.36790	0.4
105.04501	0.9
105.07029	5.8
107.04960	0.5
107.08589	5.2
109.06591	0.4
116.06209	0.4
119.08553	1.7
121.02872	0.6
121.06530	0.9
121.10141	58.8
122.10464	1.4
123.08065	1.1
131.08551	3.1
133.02849	1.2
133.07584	0.6
138.03094	0.5
139.03932	0.9
139.11197	0.6
149.02367	2.4
149.09610	30.1
150.03139	4.6
153.05423	0.8
162.02998	0.4
163.03923	0.8
163.07408	0.4
165.05501	0.9
166.02574	1.0
167.10687	1.5
175.03879	0.8
177.01820	7.3
177.05540	0.4
181.04955	6.8
187.03802	0.5
191.03401	3.1
193.05003	1.0
194.02104	8.2
195.02795	0.6
197.04520	0.8
201.05466	0.4
203.03438	0.4
205.04910	2.1
209.04443	100.0
210.04779	2.3
219.02902	0.4
219.06517	0.7
221.04416	1.5
221.11684	0.6
223.05948	0.8
233.02194	0.4
233.04405	2.4
237.03967	0.4
247.05989	1.3
251.05490	8.0
251.12767	1.2
263.05444	1.3
269.13715	0.4
270.16605	0.4
275.05511	2.8
279.46390	0.5
293.06442	3.2
311.07590	2.1
329.08676	4.5
403.11069	0.4
459.23196	0.4
477.17529	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	674.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03946	1.0
55.01873	0.5
55.05509	1.5
57.03433	1.1
65.03963	0.6
67.05508	0.7
69.03425	2.1
69.45624	0.8
69.46009	0.7
77.03943	0.6
79.05491	13.3
81.07047	0.8
83.20825	0.4
85.02900	3.9
91.05477	9.1
93.07041	40.3
94.07388	0.5
95.04966	3.9
97.02853	0.7
103.03911	0.7
103.05476	1.0
105.04506	1.4
105.07021	6.1
106.07814	0.4
107.04990	0.4
107.08588	7.5
119.04974	0.7
119.08597	1.7
121.02866	1.0
121.06542	0.9
121.10141	71.8
122.10475	1.6
123.08039	0.8
129.06947	0.5
131.08569	3.4
133.02873	1.2
133.07622	1.1
138.03123	0.4
147.04430	1.0
149.02324	2.4
149.09613	36.4
150.03128	4.1
150.09958	0.9
153.05461	0.9
159.04410	1.2
163.03915	0.6
165.05511	1.2
166.02620	1.3
167.10690	1.5
175.03928	0.7
176.04726	0.5
177.01823	8.7
177.05482	1.0
178.02618	0.6
179.03423	0.9
181.04964	6.1
187.03969	0.9
191.03401	3.6
193.04973	1.3
194.02097	8.8
195.02885	1.2
195.06422	0.5
197.04419	1.2
199.03906	0.7
204.04166	0.7
205.04959	2.3
207.02936	0.4
207.06557	0.7
209.04440	100.0
210.04811	2.2
215.03413	0.9
216.04199	0.6
219.06480	1.7
221.04388	1.8
223.06042	0.9
231.06456	0.4
232.03577	0.6
233.04478	2.9
243.02930	0.6
247.06006	2.3
251.05495	7.9
251.12819	1.8
257.04489	0.4
260.03128	0.6
263.05432	2.4
269.13785	1.0
275.05472	4.2
293.06509	5.1
311.07639	2.7
329.08664	4.3
459.16019	0.8
460.10965	0.3
477.17584	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	674.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
55.05506	19.2
57.03442	3.7
60.14806	2.7
61.02940	4.1
67.05504	43.5
69.03418	6.8
69.07067	8.6
69.14209	17.7
71.05010	3.2
76.84624	2.7
79.05495	24.0
81.03407	10.9
81.07056	34.8
83.04972	5.2
83.08627	10.2
85.02888	6.6
86.44828	2.8
91.05484	35.6
93.07034	29.0
95.04982	7.6
95.08609	15.2
97.06533	3.6
97.10159	10.6
100.24184	3.3
105.07041	24.7
107.04967	9.3
107.08592	16.1
109.06502	7.5
109.10161	16.0
111.08102	4.7
116.10755	3.2
117.07022	15.2
119.08588	16.8
121.06515	7.7
121.10134	9.6
123.08105	3.2
123.11728	4.5
125.09591	8.2
129.07024	13.9
131.04907	3.2
131.08583	16.0
133.06558	4.4
133.10132	10.6
135.08035	4.8
141.06949	5.2
143.08543	9.8
145.06474	4.8
145.10139	8.9
147.07988	5.9
147.11710	8.7
149.05980	3.9
149.09645	5.1
149.13237	3.5
151.11133	3.3
155.08546	5.3
157.10139	6.9
159.08118	3.9
159.11713	4.5
161.09686	3.0
163.11226	3.6
169.10126	5.1
171.11662	5.9
173.09680	4.0
175.11188	3.0
183.11612	3.4
185.13319	6.8
187.11252	3.3
188.15665	2.7
197.13306	3.5
209.13382	3.5
214.17967	6.1
229.14204	6.1
233.15417	5.1
234.25218	2.8
243.13815	3.2
249.14859	3.6
267.15924	8.6
273.14819	3.9
339.23117	7.1
349.21481	5.4
351.23279	3.8
357.24161	7.5
367.22522	11.2
368.61884	3.2
369.24033	4.4
385.23660	12.5
403.24655	11.2
421.25772	5.2
443.27863	18.0
451.27490	4.1
459.27438	49.2
461.28860	15.5
477.21530	5.3
477.28452	100.0
478.28860	9.2
495.29382	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	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.05257	0.7
55.05511	8.7
57.03442	4.4
57.07062	0.8
59.05010	0.7
61.02929	3.0
67.05506	18.2
69.03419	1.5
69.07072	5.1
69.24546	1.4
70.07352	0.4
71.01394	0.4
71.05008	2.3
72.09280	0.4
73.02908	0.4
79.05494	15.9
81.03416	4.7
81.07056	19.8
83.01347	2.2
83.04984	7.0
83.08617	6.8
85.02923	3.3
85.06541	1.5
91.03951	1.1
91.05483	9.7
92.05829	0.5
93.07046	20.2
95.04961	4.2
95.08610	7.9
97.02887	2.5
97.06522	4.7
97.10171	4.6
99.04464	1.4
99.08115	0.7
105.04480	0.4
105.07037	6.1
107.04956	3.5
107.08592	11.1
108.08916	0.5
109.06512	2.7
109.10168	2.7
110.26936	0.4
111.04440	5.0
111.08088	3.6
111.11737	0.4
113.06064	0.4
115.05448	0.4
117.07032	5.7
119.08560	4.4
121.06488	2.0
121.10144	7.0
123.08067	3.2
123.11727	1.0
125.06034	1.0
125.09628	3.5
127.03894	0.6
129.07021	1.5
130.51447	0.4
131.08583	5.1
133.06496	0.9
133.10138	3.9
135.08067	1.3
135.11702	7.6
137.09634	0.6
139.07593	0.7
140.68115	0.4
141.07013	0.4
143.08560	1.2
145.06520	1.7
145.10132	6.5
147.08081	1.1
147.11720	1.1
149.09605	1.0
149.13237	6.0
151.11209	0.6
153.09102	1.2
153.12727	3.6
155.08604	1.2
157.06473	0.6
159.08055	0.5
159.11674	3.6
163.11182	9.8
169.10176	0.6
171.08087	0.6
171.11629	0.9
173.09581	2.0
177.12729	2.3
181.12221	4.0
185.13330	0.4
186.26367	0.4
187.14766	0.5
189.11220	1.5
191.10660	2.0
193.12219	0.6
195.13799	3.9
205.15921	0.6
209.11720	2.9
213.14819	1.1
215.14342	0.6
227.12784	6.7
233.15385	1.3
251.16409	0.8
267.16089	0.5
269.17493	16.7
273.14990	0.5
283.15396	18.6
313.21942	0.5
349.21317	0.6
367.22678	1.3
385.23868	2.4
403.24893	3.2
421.26129	0.5
441.26321	0.5
459.27426	11.5
460.27490	0.5
477.28476	100.0
478.28845	5.8
480.94980	0.5
495.29541	18.8
496.29660	0.7
621.31854	0.6
674.34052	1.5
696.67218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18431	0.8
55.01864	1.7
55.05515	6.9
57.03437	5.5
59.44267	0.6
61.02917	1.1
62.06098	0.6
65.03931	1.1
67.05499	18.0
69.03420	1.9
69.07067	7.4
71.04980	2.9
71.08635	5.0
72.08138	0.9
79.05043	1.0
79.05490	15.3
81.03401	2.5
81.06570	1.3
81.07053	26.1
82.14742	0.7
83.04987	3.0
83.08615	7.3
84.08134	1.5
85.02885	1.8
86.06087	3.5
87.00806	0.6
89.46213	0.6
91.05478	7.0
93.07037	26.7
95.04432	0.7
95.04964	5.0
95.08596	17.6
96.08116	1.9
97.02869	2.6
97.06530	4.7
97.10174	0.8
98.06016	0.7
98.09674	2.4
99.04451	2.2
99.08071	3.1
101.47741	0.6
101.87988	0.6
105.04464	0.6
105.07014	4.9
107.04967	3.8
107.08588	17.3
108.08119	1.1
109.06514	1.2
109.10145	2.9
111.08048	2.3
111.11791	0.7
113.08447	0.8
116.10724	14.3
117.07014	5.3
118.65608	0.7
119.08556	4.3
121.06497	3.1
121.10146	8.4
121.76593	0.6
122.09711	1.3
123.11736	0.7
125.05947	1.2
127.03925	1.8
129.06992	0.8
131.08560	1.9
133.10117	2.9
135.08017	1.3
135.11684	22.7
143.10658	1.7
145.10120	11.4
147.11743	0.9
149.13242	10.1
153.12834	0.6
154.15891	1.9
159.11661	4.0
163.11166	26.8
166.15845	2.4
177.12718	1.1
178.15813	0.7
181.12236	4.4
195.13788	2.9
196.16969	6.0
209.11620	1.1
214.18001	100.0
215.18315	2.6
227.12767	28.1
227.15050	1.4
231.15771	1.0
251.03122	0.8
252.92004	0.7
257.17572	1.1
269.17465	31.3
270.17752	0.7
283.15384	25.6
310.23721	2.0
328.24762	2.6
349.29730	0.7
408.31036	1.4
426.32153	13.9
455.16995	0.7
459.27377	0.9
462.23145	6.1
463.24356	0.7
463.30133	3.0
469.14578	1.5
470.15366	0.8
477.28470	79.6
478.28668	4.3
482.15668	2.3
483.16525	2.8
485.18341	0.9
495.16336	1.6
496.17471	1.8
497.18146	7.5
507.32266	0.7
511.19855	1.0
555.18475	2.3
617.22284	0.8
643.23352	1.9
644.24432	1.7
657.24475	1.7
660.24677	0.8
674.36639	2.9
675.26593	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87552	6.2
55.05510	8.3
58.51537	7.7
60.16176	7.0
67.05516	19.6
69.07067	9.1
79.05484	15.7
80.11094	8.5
81.07070	23.6
91.05477	18.6
93.07047	19.5
95.04989	10.4
95.08633	17.2
97.74130	7.7
105.07043	15.5
107.08588	15.3
109.10152	11.7
117.06975	9.9
121.10135	10.3
131.08598	9.2
131.76050	7.5
133.10188	14.0
141.15401	7.8
141.47475	8.6
168.91089	7.4
193.12277	8.0
193.60701	7.7
269.17499	8.9
316.29276	8.3
385.23819	16.6
459.27393	94.7
477.28397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
55.05506	11.8
57.03383	4.2
59.04952	0.8
60.39114	0.5
61.02924	3.6
65.03887	0.9
66.37491	0.7
67.05500	26.3
67.05829	1.2
68.27456	0.8
69.03383	2.0
69.07068	6.3
69.98112	1.8
71.04983	3.0
73.02873	0.7
77.03880	0.8
79.05489	18.9
79.05934	1.6
81.03409	7.4
81.07050	22.1
83.01282	1.4
83.04977	6.3
83.08616	7.9
85.02917	3.7
85.06485	1.8
91.03932	0.9
91.05473	17.0
93.07036	20.1
95.04954	10.4
95.08598	8.6
97.02837	2.5
97.06532	4.3
97.10163	10.1
99.04398	1.1
99.08044	1.2
101.05997	0.7
103.05428	0.8
105.04455	0.9
105.07022	11.2
107.04959	5.6
107.08587	16.4
109.06506	3.9
109.10154	10.4
111.04428	5.7
111.08038	3.6
115.05408	1.1
117.07027	7.0
119.04882	1.4
119.08576	6.9
121.06508	4.6
121.09370	0.7
121.10125	6.7
123.04343	1.4
123.08035	3.4
123.11627	1.7
125.05930	0.8
125.09610	9.0
127.03906	0.8
129.06995	4.6
131.04871	0.9
131.08562	9.8
133.06407	1.7
133.09196	1.0
133.10114	13.4
135.04367	1.0
135.08028	3.6
135.11713	5.5
137.09557	1.7
141.06992	1.6
143.08557	3.4
145.06476	3.1
145.10135	7.3
147.07983	3.3
147.11667	3.1
149.09566	2.5
149.13217	3.2
151.11165	4.3
153.09047	2.3
153.12714	2.9
155.08487	2.2
157.06367	1.0
157.10100	2.0
159.07970	2.6
159.11684	3.3
161.05981	1.0
161.09572	1.8
161.13193	0.9
163.11180	7.1
167.08531	1.5
169.10121	1.4
170.86525	0.6
171.07990	1.7
171.10123	0.6
171.11598	1.9
173.09550	1.9
173.11725	0.9
173.13155	1.5
175.11108	1.0
177.12732	0.8
181.10094	1.2
181.12280	2.9
183.11644	1.2
185.09567	1.6
185.13155	1.7
187.11194	1.8
187.14839	1.4
189.09103	1.2
189.11159	3.5
189.12631	0.9
191.10622	2.1
193.12189	2.5
195.11635	1.1
195.13683	1.0
197.13164	2.3
199.11192	1.3
201.12532	0.6
203.14235	0.8
205.15903	1.4
207.11670	0.7
207.13684	1.2
209.11650	1.2
213.12668	1.5
215.14229	2.3
223.13141	0.7
227.12650	4.8
231.13889	1.0
233.15228	3.7
249.14783	1.6
251.14119	1.0
255.13896	0.8
269.17545	5.0
271.16888	0.8
273.14841	1.8
275.16681	0.9
283.15372	6.1
288.44846	0.7
291.15558	0.6
302.18301	0.7
305.17386	0.9
321.22177	0.9
339.23224	3.4
349.21613	2.2
357.24115	3.6
367.22623	10.3
375.25671	0.7
385.23672	21.4
386.23938	1.1
403.24814	5.0
431.27734	1.7
441.26273	2.9
449.28885	0.8
459.27371	95.7
460.27731	5.3
477.28442	100.0
478.28723	6.0
495.29501	7.1
636.66101	0.7
674.34503	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	674.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05513	53.3
57.03436	12.1
57.07066	3.3
65.03938	2.2
67.05162	3.6
67.05506	56.4
69.03435	5.1
69.07064	14.8
71.05009	2.6
79.05058	3.3
79.05495	46.5
80.20789	1.7
81.07059	56.6
83.04969	4.7
83.08622	21.1
85.02916	2.9
91.05492	20.5
93.07044	37.3
95.04956	4.5
95.08613	40.8
96.08859	2.2
97.06541	3.9
97.10170	33.2
99.08057	2.5
105.07031	10.5
107.08605	36.3
109.10180	19.5
117.07021	5.5
119.08611	11.2
121.10138	20.1
123.11674	9.7
125.09641	20.5
131.08569	10.3
133.10112	8.0
133.70790	2.2
135.11671	14.7
143.10690	7.3
145.10118	9.0
147.11690	5.6
149.13260	9.1
151.69917	2.3
159.11668	8.2
161.13231	5.8
163.14824	4.6
173.13246	5.0
187.14792	2.5
199.13255	2.4
215.12759	6.8
217.14354	100.0
218.14728	3.5
243.21120	14.2
243.55499	2.4
261.22150	40.6
263.34183	2.1
335.25806	73.3
336.26117	4.1
337.27335	6.4
348.92746	2.1
353.26852	14.1
385.31088	2.3
403.31952	10.2
477.29391	3.9
477.35846	52.0
478.35986	6.6
495.36588	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	675.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01777	0.8
80.65408	0.4
100.85684	0.4
101.23458	0.3
102.45800	0.3
116.00215	0.3
139.89230	0.4
151.60699	0.4
185.49323	0.4
240.77193	0.4
381.07904	0.5
388.10074	0.4
456.26608	0.4
527.82227	0.4
675.17426	100.0
676.17920	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	675.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01777	0.8
80.65408	0.4
100.85684	0.4
101.23458	0.3
102.45800	0.3
116.00215	0.3
139.89230	0.4
151.60699	0.4
185.49323	0.4
240.77193	0.4
381.07904	0.5
388.10074	0.4
456.26608	0.4
527.82227	0.4
675.17426	100.0
676.17920	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
57.03431	0.4
66.35147	0.3
67.05509	1.9
69.07056	0.7
73.02892	0.3
79.05488	1.7
81.03419	1.3
81.07049	1.6
83.04988	0.4
83.08618	1.0
85.02916	0.4
90.39783	0.3
91.05464	1.8
93.07044	1.3
95.04957	0.6
95.08593	0.9
97.10158	0.4
98.23457	0.6
102.83926	0.3
103.05427	0.4
105.07043	1.0
107.08598	0.8
109.10162	0.7
117.07036	1.2
118.07323	0.5
121.10194	0.6
125.09624	0.3
129.07031	0.7
131.08580	0.9
131.63319	0.3
133.10086	0.7
143.08537	0.3
145.10164	0.5
147.11607	0.4
155.08620	0.5
157.10143	0.4
159.11731	0.4
193.12389	0.6
211.13309	0.7
219.36974	0.3
267.15909	0.6
269.17416	1.6
285.17105	0.7
400.15628	0.3
413.16150	0.9
416.14832	0.4
421.19632	0.3
426.17261	0.8
427.17859	0.6
428.18805	0.4
429.15601	0.9
430.16574	0.5
441.19296	1.4
442.16519	0.6
443.17535	1.4
444.17996	1.8
445.18768	2.4
454.16479	0.8
455.17859	0.4
456.18558	0.6
457.15085	1.9
458.19574	0.6
459.27661	0.3
460.27631	0.4
461.29163	1.3
467.12604	0.5
467.17310	1.4
468.14023	0.9
469.14160	2.1
470.15369	1.5
471.16211	3.0
472.17511	1.6
477.28702	0.5
478.28940	0.6
479.29968	2.0
480.13812	1.6
481.14645	2.8
482.15656	3.3
483.16702	4.6
484.17392	1.2
485.18738	2.5
486.18744	0.7
487.20062	0.4
493.15070	0.4
495.16672	9.2
496.17303	4.7
497.18155	11.2
498.18701	1.4
499.19952	1.0
500.17282	1.0
502.17996	0.4
509.18314	0.4
510.19101	0.8
511.19601	1.0
513.17438	1.7
514.18182	0.5
515.19202	1.0
525.17059	0.4
527.19067	0.7
529.20697	1.0
530.21173	0.6
531.18262	0.7
542.18134	0.6
545.20490	0.3
555.18610	11.6
556.19366	1.2
557.20837	1.1
569.20740	0.4
573.22546	3.1
574.23669	0.5
583.22260	1.0
584.22406	0.4
585.23181	0.7
601.22980	0.8
617.22479	3.1
627.20837	0.8
629.21863	0.4
643.24048	5.2
644.24695	1.7
645.21997	2.9
657.25592	0.9
660.24078	5.4
661.24292	0.7
675.26556	100.0
676.26782	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21063	0.3
56.29924	0.3
67.05522	1.0
77.86081	0.3
79.05516	0.5
81.03431	1.1
81.07053	1.1
88.43053	0.3
90.78864	0.3
91.05444	0.7
93.07054	0.7
95.08636	0.6
98.23449	0.7
98.70876	0.3
105.07050	0.5
125.56303	0.3
220.53984	0.3
228.80602	0.4
237.88300	0.4
256.11441	0.4
269.17569	0.5
271.62744	0.5
323.55948	0.5
348.72836	0.3
365.71387	0.4
416.09518	0.4
416.14850	0.5
444.18567	0.5
445.18820	0.6
453.15723	1.0
454.16705	0.6
455.12820	0.6
456.14279	0.4
457.14725	0.7
467.12680	0.7
468.13757	2.0
469.14774	7.2
470.15552	1.9
471.16669	1.5
477.28250	0.5
478.29260	0.4
480.14560	0.9
481.14276	1.7
482.15939	8.6
483.16608	8.9
484.17276	1.9
485.18063	1.0
495.16623	4.2
496.17441	5.9
497.18185	31.9
498.18716	3.6
499.20016	0.8
501.17697	0.5
509.14767	0.4
510.19177	1.6
511.19824	4.4
512.20502	1.6
513.17444	0.7
515.19415	1.4
523.16217	0.4
528.16119	1.9
538.20068	0.8
541.16968	0.6
542.18048	1.8
544.91785	0.4
555.18573	4.0
556.19604	2.9
557.20276	3.1
569.20618	1.1
573.22150	0.6
583.21069	0.7
585.24042	0.4
616.21692	1.1
617.22736	1.2
629.22583	0.7
642.23267	0.5
643.23883	6.0
644.24640	7.8
644.34570	0.7
645.23694	1.8
657.25519	5.7
658.25775	0.7
660.24200	2.2
675.26569	100.0
676.26862	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	675.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
59.20078	0.4
67.05504	1.9
69.07061	0.7
79.05497	0.9
81.03409	0.6
81.07063	1.2
91.05486	1.1
93.07043	0.8
95.08604	0.8
105.07062	1.0
105.93491	0.4
128.69753	0.5
131.08556	0.6
133.10126	0.6
136.14409	0.4
185.04231	1.1
193.05046	0.5
284.68613	0.5
309.75201	0.4
347.09573	1.3
351.25534	0.4
368.23434	0.4
459.07129	0.5
477.32254	0.8
478.32675	3.4
513.30334	24.6
514.30914	1.6
675.35535	100.0
676.35828	9.5
696.25061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04646	0.2
55.01852	0.3
55.20421	0.3
62.71564	0.3
65.03928	0.8
67.05511	0.7
69.30849	1.1
79.05477	0.3
81.07043	0.5
83.17583	0.3
85.02895	1.0
91.05470	0.8
94.04174	1.7
95.04955	0.6
98.23473	0.5
103.05458	0.5
105.04509	0.4
108.02088	1.1
109.02823	0.3
118.42680	0.2
119.04961	0.3
121.02865	0.4
122.03652	3.4
123.04399	0.4
127.19830	0.3
130.65587	0.2
131.04918	1.2
135.04469	0.3
137.05974	100.0
138.06303	2.0
138.27132	0.3
139.03885	1.3
141.05505	1.3
150.03145	0.3
151.03905	75.2
151.04959	4.8
151.07428	2.3
152.04271	1.5
163.07494	2.6
175.07544	0.4
177.01865	0.8
177.09088	0.5
181.05023	0.7
181.08595	4.8
190.83127	0.3
191.03551	0.3
194.02144	0.9
209.04437	3.9
209.06332	0.4
219.13907	0.3
219.16376	0.3
251.16408	0.3
271.20654	0.4
275.05759	0.3
299.19867	0.3
306.27789	0.3
317.21548	0.4
331.11697	6.1
354.06808	0.3
443.24182	0.5
461.25128	0.7
477.87497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01876	1.3
55.05515	2.8
57.03440	2.8
61.02929	7.0
64.56297	0.4
67.05507	5.5
69.03427	2.2
69.07069	1.4
69.28639	2.3
71.04986	1.1
73.02918	2.9
75.04478	0.6
79.05495	5.4
81.03418	68.1
81.07049	4.8
82.03761	0.8
83.04976	2.3
83.08126	0.8
83.08620	16.1
85.02415	0.7
85.02904	8.0
91.03967	7.9
91.05479	7.6
92.05814	0.7
93.07047	3.5
95.04969	20.1
95.08600	1.8
97.02899	4.9
97.06496	0.7
97.10152	1.2
99.04507	0.8
103.05450	0.5
105.07036	5.3
106.07323	0.5
107.04974	5.0
107.08620	2.5
109.02872	0.7
109.06522	1.7
109.10168	1.2
111.04459	1.7
111.08096	7.9
115.05463	0.6
119.08579	6.9
121.06539	1.6
121.10131	3.2
121.39625	0.4
123.04416	2.4
123.08102	1.1
125.09543	0.9
127.03925	2.4
129.07002	5.9
131.08574	6.5
133.06491	1.7
133.10158	2.5
135.04573	0.6
135.08017	0.7
135.11702	0.6
137.06001	1.6
137.09598	1.4
142.07729	0.8
145.04938	3.4
145.10138	1.0
147.04391	1.2
147.08055	2.1
147.11693	5.5
149.09637	4.3
157.10135	7.6
161.05960	0.6
163.06004	6.6
163.07343	0.9
163.11234	1.2
165.12733	1.4
175.11185	10.5
177.05513	0.7
189.12782	1.2
193.12239	52.4
194.12566	1.4
207.13850	0.6
211.13292	4.3
217.12163	0.6
219.10149	0.8
235.13260	2.9
249.14624	0.5
253.14429	0.5
259.13275	2.2
267.15918	27.2
268.16278	0.8
273.14880	1.5
285.16965	100.0
286.17358	3.1
299.18430	1.6
301.14398	1.8
309.13522	1.1
309.16949	14.6
309.20544	0.8
310.17334	0.5
327.18115	4.1
351.18045	2.9
363.18039	5.4
375.17923	2.7
393.19031	3.2
411.20175	1.8
429.21051	1.8
465.55890	0.5
667.45837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01873	0.6
55.05511	3.1
55.17243	0.5
56.69585	0.5
57.03444	3.9
59.84819	0.5
61.02930	6.7
65.03944	0.7
67.05502	6.9
69.03429	2.3
69.07073	1.6
71.01337	0.5
71.04985	1.4
73.02914	2.1
79.05491	6.8
81.03416	73.0
81.07049	6.0
82.03770	0.9
83.04971	3.1
83.08621	18.9
85.02901	7.9
88.66225	0.5
91.03960	6.6
91.05476	8.8
91.95451	0.5
93.07035	3.8
95.04969	23.2
95.08613	1.6
97.02884	5.1
97.06548	1.1
97.10163	1.5
99.08110	0.6
103.25313	0.5
105.07039	6.1
105.20244	0.6
105.88512	0.5
107.04948	5.3
107.08627	3.1
109.02887	1.2
109.06526	1.9
109.10144	1.4
111.04433	1.8
111.08080	10.4
115.03943	0.5
115.05441	1.0
119.04920	1.0
119.08588	7.0
121.06500	1.9
121.10149	3.8
122.49710	0.6
123.04427	2.0
123.08046	0.8
125.09573	1.1
127.03936	2.5
129.07005	5.5
131.08572	5.6
133.06505	2.5
133.10127	3.4
137.09628	0.7
142.07756	1.2
143.08606	0.7
145.04970	3.0
145.10123	1.1
147.04379	1.2
147.08047	2.0
147.11668	5.7
149.09612	4.1
157.10127	8.9
161.05968	0.7
163.06012	6.8
163.11147	1.5
165.12793	1.4
173.09688	1.1
175.11189	12.1
189.12744	1.1
191.03445	1.5
191.10733	0.6
193.12239	58.5
194.12613	1.7
207.13953	0.7
211.13284	5.0
217.12271	0.9
235.13240	4.0
243.06375	0.6
249.14975	0.8
259.13293	1.5
267.15921	35.9
268.16281	1.5
273.14832	1.0
285.16959	100.0
286.17218	4.1
297.90106	0.5
301.14328	1.5
309.16946	18.9
310.17215	1.4
321.45493	0.6
327.18069	2.1
351.18094	3.1
363.17996	6.2
364.18469	0.7
375.18005	3.6
393.19131	4.4
411.20129	3.6
429.21158	11.5
461.23853	0.7
591.26270	1.7
601.00122	0.7
623.28766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01867	0.6
55.05507	1.7
55.78227	0.4
55.82920	0.4
57.03422	0.9
61.02911	1.0
61.22842	0.3
67.05506	3.6
69.03423	1.8
69.07060	1.3
69.21107	2.0
71.04991	0.9
74.47374	0.4
79.05481	2.6
81.03396	1.0
81.07058	5.3
83.01339	1.1
83.04929	0.3
83.08607	1.0
85.02900	8.2
85.06538	0.4
85.52734	0.3
85.53234	0.4
91.03942	0.5
91.04951	0.4
91.05480	2.1
93.07034	2.2
95.04929	0.3
95.08604	3.8
97.02889	2.1
97.06522	2.0
99.04436	0.5
105.07036	0.9
107.08559	1.3
109.02886	0.6
109.06541	1.9
109.10152	2.2
111.08069	0.6
117.07043	0.8
119.08562	1.3
121.06501	1.2
121.10098	0.7
123.08089	0.5
123.11703	0.5
125.05949	2.0
125.10675	0.3
127.03931	2.1
131.08563	0.9
133.10130	1.4
135.08049	1.5
135.11722	0.5
137.05968	100.0
138.06294	1.6
139.03914	0.4
145.04987	1.9
145.06454	0.8
147.08038	2.6
149.09607	1.2
149.13223	0.8
151.07532	2.0
153.05557	0.4
159.08057	1.1
161.05968	6.9
161.09616	2.7
163.07530	28.9
163.72774	0.4
164.07846	0.8
171.07980	0.3
175.07521	2.8
175.11147	0.4
175.14825	1.0
177.09097	28.7
178.09460	0.6
181.04996	0.6
185.09543	0.3
187.07532	1.8
189.09055	2.5
191.06906	0.7
191.10612	2.9
196.07257	0.4
199.36537	0.4
201.09113	1.1
203.06978	2.8
203.10648	2.7
205.12189	0.5
217.12315	1.6
227.07054	2.1
229.08659	0.5
233.15160	0.7
243.10315	0.4
289.21365	0.5
299.20013	2.4
317.21094	35.6
318.21527	1.8
335.22144	72.3
336.22519	2.8
341.21045	2.3
359.22122	6.7
383.22177	5.2
401.23160	5.4
407.22122	1.5
425.23077	4.2
443.24261	1.2
461.25174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01868	0.6
55.05512	2.6
57.03433	2.6
57.07069	0.6
61.02924	0.9
65.03941	0.3
67.05159	0.6
67.05506	9.2
69.03436	0.9
69.07066	2.6
69.81111	0.7
71.04993	0.9
73.02943	0.4
79.05497	6.0
81.03419	7.1
81.07059	10.2
83.04979	2.5
83.08620	4.1
85.02911	3.0
85.06564	0.7
91.05484	5.0
93.07049	6.6
95.04969	3.7
95.08618	3.2
97.02905	0.5
97.06534	1.7
97.10155	0.6
105.04533	0.4
105.07030	3.1
107.04980	1.0
107.07900	0.6
107.08593	4.2
109.06519	0.8
109.10172	0.8
111.04474	0.5
111.08069	1.9
117.07039	0.8
119.08592	2.4
121.06546	0.4
121.10144	3.3
123.08064	0.6
123.11703	0.4
125.09682	0.4
125.69220	0.3
129.07033	1.3
131.08566	2.0
133.06563	0.5
133.10139	2.0
135.08040	0.4
135.11717	0.9
145.10057	0.4
147.07982	0.8
147.11687	1.8
149.09634	0.6
149.13258	3.0
157.10176	1.7
159.11711	1.1
175.11218	2.1
177.12762	0.5
193.12248	5.9
195.13852	1.4
211.13281	5.6
240.59679	0.4
267.15909	5.3
269.17477	13.6
270.17828	0.4
285.16962	5.9
299.03101	0.3
341.73871	0.3
402.06900	0.3
413.15714	0.4
414.16434	0.6
416.18393	0.4
426.16504	0.4
427.17294	0.7
430.16296	0.9
431.16507	0.9
435.27737	0.6
441.14557	0.5
442.19678	1.2
443.16708	0.4
444.17514	1.0
445.18134	1.6
446.19019	1.8
454.16196	0.9
456.13693	0.6
457.13797	0.8
457.18771	1.0
458.15030	1.4
458.19846	0.9
461.28973	11.0
462.29617	0.6
468.12762	0.4
468.17575	1.2
469.13718	1.6
470.15649	1.8
471.15411	1.7
472.16583	3.1
473.17615	2.0
479.30057	20.1
480.30573	1.5
481.14285	1.8
482.15314	2.8
483.15921	2.5
484.16922	3.5
485.17999	2.1
486.18713	3.8
495.16693	1.8
496.16931	9.3
497.17694	6.2
498.18530	9.1
499.18958	2.5
500.19958	1.0
501.16913	0.8
501.60742	0.4
503.19238	0.5
504.19394	0.5
511.19312	0.6
512.19922	0.7
514.18237	1.4
515.18488	1.0
516.19189	0.7
530.21570	0.7
532.19202	0.4
537.18823	0.4
542.17365	0.5
543.17523	0.4
547.25604	0.4
555.18994	1.2
556.18976	9.3
557.18872	2.5
558.20648	0.9
573.22119	0.5
574.23987	2.4
584.22223	0.7
585.22394	0.4
586.23450	0.7
587.23419	0.4
618.22772	2.8
628.22247	0.5
644.24384	4.3
645.24597	2.1
646.22485	2.1
658.25690	0.8
661.24487	5.6
662.24359	1.0
676.26868	100.0
677.26898	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	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82915	0.6
52.80070	0.7
53.03925	1.4
55.01848	1.7
55.05506	9.1
57.03435	12.0
57.07045	0.9
61.02905	1.7
65.03921	1.1
67.05502	34.3
67.52939	0.6
68.05817	0.6
69.03399	2.5
69.07069	13.8
71.01328	0.6
71.04987	4.5
73.02903	1.0
79.05489	22.4
79.82722	0.6
81.03413	31.7
81.07053	44.2
83.04539	0.7
83.04972	9.1
83.08130	1.0
83.08612	19.1
85.02418	0.7
85.02900	10.3
85.06528	3.4
87.04419	0.6
91.05475	20.9
93.07040	32.8
94.07332	0.9
95.04961	15.9
95.08027	0.9
95.08598	12.9
97.02859	2.7
97.06524	6.0
97.10119	2.0
98.22716	1.4
99.04417	0.9
99.08057	2.7
105.07024	12.5
107.04913	2.9
107.08588	17.5
109.06483	3.6
109.10126	2.9
111.04405	2.1
111.08069	10.8
111.11709	0.8
113.05949	2.2
117.07046	3.6
119.08572	9.4
121.06456	1.3
121.10137	12.1
123.08040	1.6
123.11668	2.4
125.09583	1.3
127.07567	0.9
129.06989	5.2
129.33177	0.7
131.08559	9.9
133.06448	1.8
133.10130	8.0
135.08020	2.5
135.11713	4.6
137.09651	0.9
139.11124	0.9
142.07742	1.4
145.10123	1.7
147.07965	1.3
147.11684	7.3
149.09586	3.8
149.12111	1.3
149.13245	20.0
151.11142	1.8
157.10106	7.3
159.11678	7.1
165.12743	2.1
175.11194	7.6
177.12746	3.5
193.12231	21.7
195.13736	4.3
197.74590	0.7
211.13275	21.9
213.14709	0.9
227.12976	0.7
241.08444	0.7
249.14819	0.8
267.15897	18.1
269.17450	63.4
270.17859	2.3
285.16928	16.1
286.17218	0.9
342.72412	0.7
433.29489	4.5
435.27551	2.3
446.18668	0.9
451.30347	2.1
461.28931	44.1
462.29297	2.2
470.15524	2.5
471.15756	1.4
472.15982	1.0
479.30008	100.0
480.30338	6.6
480.95074	0.7
482.15387	1.2
483.15842	3.3
484.16760	2.8
485.17249	1.0
496.16754	3.3
497.17859	4.2
498.18451	10.1
499.18475	2.9
511.19614	1.3
512.20142	1.7
543.17816	1.1
556.18573	3.3
557.18561	1.5
558.20557	0.8
618.22748	0.8
623.33533	1.1
644.23840	2.6
645.24957	1.9
646.23517	1.5
658.25568	1.8
661.24683	1.1
676.26758	51.0
677.26953	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01867	2.0
55.05514	10.3
57.03431	4.4
57.07064	0.7
57.71375	0.6
57.91384	0.5
59.04983	0.6
61.02927	3.4
61.20010	0.6
65.03941	1.3
67.05499	24.3
69.03400	1.7
69.03742	0.6
69.07062	8.0
69.27453	3.4
71.04977	2.2
71.84156	0.5
73.02902	0.9
79.05485	17.3
81.03417	3.7
81.07053	39.7
82.07376	0.6
83.04972	4.1
83.08610	8.0
85.02911	3.9
85.06525	2.2
91.03928	1.9
91.05475	18.3
93.07040	16.0
94.07381	0.6
95.04968	4.7
95.08604	14.6
97.02882	1.8
97.06534	3.7
97.10169	5.0
99.08076	2.1
101.06028	0.6
103.02523	0.5
105.04469	0.7
105.07024	20.2
106.07368	0.7
107.04945	2.5
107.08578	12.4
109.06497	3.8
109.10146	3.7
111.08065	2.3
113.05992	0.7
115.05476	0.7
117.07014	7.0
119.08567	15.4
121.06506	2.9
121.10139	9.6
123.08069	2.5
123.11707	6.9
125.09629	4.7
127.07535	1.5
128.06250	1.1
129.06978	6.3
131.08554	10.1
133.06488	1.7
133.10124	5.8
135.08049	2.1
135.11679	2.3
137.09595	1.5
141.07008	1.8
142.07697	0.7
143.08557	5.9
145.04990	0.6
145.06470	1.9
145.10120	5.0
147.08035	2.5
147.11676	22.3
147.12859	1.1
149.09598	1.6
149.13281	2.6
155.08553	4.0
157.10100	5.2
159.08043	1.1
159.11676	2.6
161.09631	1.1
161.13237	0.9
163.11134	1.0
165.12721	6.4
167.08539	1.5
169.10089	2.9
171.08083	0.7
171.11717	2.6
173.13293	2.1
175.11188	2.2
175.14815	0.9
177.12729	0.9
179.08479	0.7
181.10155	2.0
183.11684	2.3
185.09668	0.7
185.13217	1.5
187.14792	0.8
189.11249	1.3
189.12775	0.7
191.14261	0.8
193.10396	0.6
193.12268	2.5
195.11559	1.3
195.13766	0.7
197.13283	1.0
199.14853	1.8
201.12778	1.3
203.14330	0.7
207.11630	1.4
209.13275	2.0
210.84914	0.5
211.11272	0.8
211.13242	1.2
211.14986	0.7
213.12764	1.1
213.16461	0.7
215.14296	0.8
217.15904	0.8
219.13795	1.2
221.13197	1.6
223.14864	1.0
225.12804	0.7
225.16431	0.6
227.12643	1.3
229.14195	0.8
233.15387	0.9
247.16873	0.8
253.15939	0.6
257.15427	0.6
267.15884	12.9
269.17444	2.6
271.16913	0.8
285.16898	1.0
318.51083	0.6
323.23621	0.7
325.21588	1.4
333.22131	2.0
341.24802	2.5
343.22696	1.9
351.23190	7.3
359.25760	1.9
361.23694	1.2
364.68900	0.6
369.24258	5.9
387.25107	7.8
405.26422	3.6
417.26221	2.4
425.26733	2.6
433.29474	1.1
443.27902	32.0
444.28342	1.3
458.68091	0.5
461.28934	100.0
462.29248	5.0
479.30011	48.1
480.30463	2.1
494.49130	0.6
586.28821	2.7
605.33008	0.7
623.33960	1.0
676.31799	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	676.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98385	0.8
53.03961	1.3
55.01868	2.9
55.05262	1.1
55.05514	13.2
57.03437	3.2
61.02930	3.3
65.03915	1.0
67.05161	1.6
67.05507	25.5
67.94187	0.9
69.03423	2.4
69.07075	8.8
71.04984	2.4
72.99352	1.0
73.02908	1.7
79.05492	18.6
81.03431	7.1
81.07060	39.1
82.07402	1.4
83.05001	4.2
83.08623	7.5
85.02902	4.2
85.06544	3.5
91.03958	1.7
91.05489	21.5
93.07044	18.1
95.04963	5.3
95.08603	15.0
97.02912	2.2
97.06533	3.4
97.10171	6.8
99.08100	2.2
105.07036	21.3
107.04957	2.6
107.08598	13.3
108.99714	0.9
109.06509	3.8
109.10170	5.1
111.08089	2.5
117.07035	6.4
119.08575	15.5
121.06519	2.1
121.10150	9.5
123.08076	2.7
123.11700	7.6
125.09655	5.2
125.10399	0.8
127.03934	1.1
128.06268	0.8
129.07018	6.0
131.04915	0.9
131.08572	10.4
133.10146	6.7
135.08049	2.1
135.11684	1.4
137.06013	1.6
137.09662	0.9
141.06996	2.0
141.09088	1.2
143.08533	4.6
145.06534	2.1
145.10156	5.1
147.08052	3.4
147.11691	22.2
149.09602	1.4
149.13269	2.7
151.11128	0.9
155.08548	3.2
157.10156	6.6
159.08067	2.0
159.11697	3.5
161.09711	0.9
161.13240	1.2
163.11230	1.8
165.12755	5.9
167.08568	1.6
169.10139	3.4
171.11713	1.9
173.09601	1.1
173.13260	2.1
175.11244	1.3
177.12810	1.0
181.10205	1.6
183.11655	2.7
184.07237	0.9
185.13338	1.7
189.11186	1.9
195.11752	1.6
195.13715	1.3
197.13220	1.5
199.14804	2.1
209.13344	1.6
211.13228	1.2
215.14439	0.9
217.15833	2.5
219.13689	1.2
227.12750	2.3
239.14282	1.1
253.16180	1.2
267.15906	16.4
269.17462	1.1
271.17075	1.4
282.25937	0.9
323.20123	0.9
323.23856	1.2
333.22040	1.2
339.43689	1.0
341.24692	2.4
343.22772	1.9
351.23154	6.0
351.26678	1.0
359.25949	1.4
361.23651	1.8
369.24301	7.8
387.25290	8.4
405.26324	3.6
414.18256	1.4
417.26456	1.7
425.26859	1.7
433.29605	1.3
443.27960	25.0
444.28159	1.2
461.28989	100.0
462.29257	3.4
479.30075	47.2
479.35098	0.7
480.30502	2.1
586.29285	8.5
676.31854	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	676.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01879	1.5
55.05508	9.2
56.60405	0.6
57.03435	4.6
59.04992	0.6
61.02933	4.1
65.03931	1.0
67.05501	21.1
67.05863	1.1
69.03423	2.5
69.07077	6.7
71.04987	1.7
73.02892	1.6
79.05043	1.1
79.05489	15.9
81.03416	5.4
81.07054	34.1
82.07411	0.7
83.04972	4.4
83.08610	6.4
85.02914	3.6
85.06547	2.3
91.03960	2.3
91.05473	18.4
93.07039	17.6
95.04946	5.0
95.08601	13.8
97.02888	2.1
97.06521	4.1
97.10163	5.3
99.04454	0.7
99.08104	1.5
100.44181	0.8
105.04488	1.0
105.07027	17.2
107.04924	3.6
107.08584	10.6
109.06522	2.6
109.10141	4.8
111.04421	0.7
111.08069	2.3
115.05463	0.6
117.07018	4.9
119.08574	13.3
121.06516	2.6
121.10129	8.2
123.04348	0.8
123.08064	2.6
123.11708	6.1
123.55257	0.7
125.09621	2.4
127.03947	0.9
127.07612	1.3
129.06973	5.1
131.04909	0.9
131.08554	9.3
133.06500	2.5
133.10121	9.0
135.04337	0.9
135.08067	2.5
135.11702	2.7
137.09660	1.0
141.07013	1.8
142.07770	0.6
143.08549	4.2
145.06468	2.2
145.10136	4.8
147.08061	3.3
147.11687	16.9
149.09608	1.6
149.13237	2.9
151.11194	1.5
155.08569	2.9
155.51106	0.7
157.10112	4.8
159.08064	1.7
159.11722	3.1
161.09642	1.5
161.13255	1.0
165.12743	5.8
167.08585	0.7
169.10144	2.0
171.08046	1.2
171.11723	1.9
173.04440	1.3
173.09688	0.7
173.13292	1.4
175.11211	2.3
177.12790	1.3
181.10115	0.8
183.11691	1.7
184.07350	1.0
185.09665	1.0
185.13284	1.3
187.11182	1.6
189.11211	1.1
189.12753	1.1
193.10165	0.6
193.12270	2.7
195.13895	0.9
197.13268	0.9
199.14851	1.6
201.12820	0.9
209.13309	0.7
211.13190	0.8
213.12781	0.8
217.15915	1.1
217.59140	0.6
223.14722	0.8
225.16408	0.8
227.12724	1.4
233.15398	1.0
239.14304	1.0
249.14813	0.9
257.15457	1.0
267.15891	10.6
269.17383	1.7
285.16940	1.1
293.64578	0.6
323.23593	1.0
341.24704	2.8
351.22940	3.2
359.25620	1.6
369.24191	7.9
384.14203	0.7
387.25235	6.6
405.26321	2.9
415.28348	1.0
425.26962	1.2
433.29480	4.8
443.27921	13.9
444.28592	1.0
461.28943	100.0
462.29196	5.4
468.08325	0.7
477.28873	1.0
478.28802	0.9
479.29999	25.4
480.30539	0.9
485.28699	1.0
503.30093	3.6
527.29742	1.0
569.30981	1.2
586.28619	2.3
587.31775	1.8
605.33069	1.1
623.34137	1.6
676.34149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29016	1.2
55.05507	2.7
57.07078	82.5
58.07399	1.7
60.08161	4.3
65.12160	1.4
67.05501	3.3
69.07092	1.7
71.07381	2.3
71.08628	2.5
73.06563	2.4
76.89737	1.3
79.05480	2.6
81.03429	2.2
81.07043	3.5
81.91521	1.5
82.01225	1.4
83.04974	3.2
86.09698	18.6
87.04467	11.0
89.06032	100.0
91.05475	27.8
93.07040	9.7
95.04991	4.2
98.98486	1.7
103.05469	1.8
104.10753	2.2
105.04514	1.9
105.07018	8.2
107.04936	7.8
107.08618	2.5
108.05315	2.6
117.07018	1.7
119.04969	4.7
119.08612	6.5
121.05634	2.4
121.06503	46.2
121.10164	2.3
124.99994	15.0
130.08673	2.0
131.07036	4.2
131.08548	2.0
133.08604	52.0
133.10162	5.0
135.08075	4.4
135.11754	1.8
147.08037	21.0
147.09131	1.7
148.08458	1.7
149.06001	2.5
149.09601	4.4
159.11681	2.4
163.07536	1.8
163.11185	10.2
164.11555	4.7
165.09119	9.4
175.09724	3.9
177.11234	22.9
177.12773	6.6
184.07341	54.8
191.10741	2.2
203.14439	1.5
203.17938	3.8
209.11751	4.8
221.13690	4.1
221.15610	6.9
233.18994	11.5
235.13048	1.8
259.20493	3.4
265.18179	2.3
267.12189	2.7
268.12515	2.0
269.12848	2.3
277.21619	9.1
289.25409	3.0
321.24179	2.7
323.18661	3.6
324.18881	2.1
325.19025	2.4
333.27820	8.8
370.76483	1.6
403.23312	2.3
416.17688	1.9
417.17978	2.1
434.19031	1.8
441.28171	1.9
444.97641	1.5
472.24112	1.5
491.28534	13.4
543.36768	1.5
547.34637	16.0
573.73511	1.6
603.40997	19.2
604.41595	1.8
650.20093	1.6
659.47174	8.6
676.50397	10.3
688.01483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05517	1.5
55.40589	0.3
57.03438	1.8
61.02928	3.8
61.75188	0.3
67.05505	4.9
69.03434	1.4
69.07075	1.7
71.05000	0.6
73.02919	3.1
79.05491	4.9
81.03431	1.3
81.03876	0.4
81.07056	6.1
83.04998	1.0
83.08633	1.1
85.02908	4.1
85.06567	0.5
91.03952	2.6
91.05486	3.8
93.07047	5.9
95.04981	1.2
95.08607	3.7
97.02909	3.3
97.06577	0.9
97.10206	0.4
98.22670	1.2
99.04463	0.9
101.02404	1.4
102.90822	0.4
105.07063	1.6
107.08591	2.8
109.02882	0.7
109.10146	0.7
111.08120	0.5
117.07089	0.4
119.08621	1.7
121.10172	1.6
127.03929	1.1
129.07013	0.8
131.08614	0.7
131.69341	0.4
133.10141	0.9
135.11729	1.0
143.08636	0.5
145.04913	0.4
145.10107	0.9
147.11736	1.7
149.13263	2.8
152.99535	0.4
159.11800	1.1
161.13284	0.9
171.11731	1.1
177.12819	0.4
185.04393	0.5
195.13876	0.5
235.13179	1.5
243.08418	2.6
247.13176	1.3
261.22260	1.2
269.17599	0.6
270.08328	0.5
281.17609	0.5
291.16064	0.5
303.15695	0.7
335.25827	0.7
353.26822	0.7
373.81821	0.4
395.26248	0.5
453.20966	10.2
454.20804	0.8
465.20895	9.6
466.21344	0.8
574.81702	0.4
677.35071	100.0
678.35376	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	677.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.2
57.03436	2.4
61.02922	6.9
63.13711	0.9
64.60880	0.8
67.05501	21.3
69.03445	2.0
69.07073	4.2
71.04993	1.4
71.54730	0.9
73.02929	3.7
79.05486	12.8
81.03421	2.0
81.07059	24.5
83.04973	1.9
83.08621	1.6
85.02899	7.3
85.06580	1.2
91.03944	5.7
91.05461	7.2
93.07045	16.1
95.04971	1.5
95.08605	17.3
97.02905	5.6
97.06498	1.6
101.02361	1.1
105.07038	6.5
107.08587	10.5
109.06493	1.6
109.10152	7.5
111.08103	1.0
117.07026	3.0
119.08580	5.2
121.10145	9.0
123.11726	4.0
127.03924	1.9
129.07002	1.2
131.08514	5.3
133.10146	4.6
135.11687	5.8
137.13254	2.5
143.08658	1.5
145.04984	2.9
145.10130	3.1
147.11685	4.8
149.13252	7.1
151.53076	0.9
159.11700	3.1
161.13309	2.8
163.06029	2.5
163.14896	3.0
173.13293	3.4
177.16426	1.9
187.14851	2.1
228.02788	1.1
243.08327	1.2
243.21107	8.5
261.22128	23.2
267.38821	1.1
279.23306	1.5
321.12762	1.0
328.19104	1.0
335.25748	6.2
353.26834	9.0
453.20996	4.9
465.21027	6.1
497.30908	1.9
677.35016	100.0
678.35406	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	677.372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34956	0.4
62.67757	0.4
64.67319	0.4
69.67110	1.4
69.67523	0.8
70.06596	0.6
88.07658	0.9
88.89368	0.5
89.45482	0.4
90.76578	0.4
95.72858	0.4
98.22871	1.1
98.23448	0.6
98.29984	0.4
114.51584	0.5
141.61595	0.4
149.02348	0.7
162.57863	0.5
171.01425	0.5
185.04295	0.6
189.91843	0.5
193.05025	0.9
193.15405	0.5
242.32452	0.5
256.26456	2.0
340.26633	0.5
347.09601	1.0
515.31927	24.1
516.32428	1.6
530.36896	0.5
591.22412	0.6
605.88025	0.6
677.37158	100.0
677.55536	2.9
678.37549	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	677.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00927	0.1
57.07045	0.3
67.05470	0.1
69.83102	0.4
70.06561	0.2
81.07001	0.3
84.01537	0.1
88.07580	0.4
102.09167	0.3
103.05566	0.1
104.52946	0.1
107.08591	0.1
109.10133	0.2
149.02295	0.4
171.07097	0.1
185.04247	0.8
193.05016	0.8
203.05263	2.1
237.55905	0.1
256.26340	1.2
259.07822	1.3
278.33762	0.1
305.08286	0.3
344.81036	0.1
347.09482	1.3
365.10519	3.5
421.12936	1.1
448.30511	0.2
515.31909	25.9
516.32220	1.3
537.45953	0.2
598.40009	0.1
657.67200	0.2
677.37122	100.0
678.37463	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.9
53.03952	2.2
55.05511	13.0
57.03442	6.8
57.07072	3.8
58.83611	0.9
59.05007	1.2
61.02931	23.8
65.03948	2.0
67.05508	66.6
69.03449	5.1
69.07068	13.7
70.60361	1.1
71.05005	4.7
71.05354	0.8
71.08646	1.6
73.02918	9.9
75.04487	2.0
79.05497	43.0
81.03439	6.5
81.07062	80.1
82.07393	1.1
83.04980	2.4
83.08627	7.9
85.02911	27.0
85.06565	2.8
87.04486	0.9
91.03387	1.2
91.03963	26.1
91.05484	23.8
93.07049	56.7
94.07363	1.7
95.04974	5.2
95.08613	55.7
96.08944	1.0
97.02903	13.5
97.06541	4.6
97.10170	3.5
99.04475	2.4
99.08102	3.3
105.04544	2.5
105.07036	20.5
107.08598	37.0
108.08974	1.0
109.06534	1.9
109.10162	35.8
111.08111	2.7
111.11774	1.0
113.09641	1.7
115.03946	1.1
117.07025	9.5
119.08578	18.0
121.06547	0.9
121.10152	31.9
123.08087	2.0
123.11718	14.1
125.09621	1.4
127.03928	9.4
129.07057	1.3
131.08569	22.9
133.10133	13.9
135.08083	1.0
135.11702	29.0
137.09641	1.8
137.13261	6.6
139.11180	1.8
143.08557	0.9
143.56203	0.8
145.04962	14.9
145.10126	15.9
145.11215	1.1
146.37189	0.8
147.11693	12.6
149.09712	1.2
149.13264	21.2
151.11281	1.7
151.14838	2.7
153.12740	1.9
156.61263	0.8
159.11703	16.7
159.12926	1.1
161.13260	10.1
163.06030	20.9
163.14828	16.8
165.12817	3.5
173.13275	16.7
175.14902	3.4
177.12871	1.0
177.16386	6.8
179.14337	3.0
187.14842	10.3
191.14352	2.3
201.16444	3.1
205.15981	2.8
215.18040	2.0
219.17490	1.0
227.13278	0.9
233.22701	3.1
243.08482	1.2
243.21092	39.9
244.21567	1.3
261.22144	100.0
262.22552	2.7
263.23810	2.3
267.15988	1.1
278.44876	0.8
279.19992	0.9
279.23358	2.4
317.24774	1.0
335.25812	17.4
353.26871	41.0
354.27319	1.8
404.25287	1.1
422.26318	2.2
447.27502	3.3
448.27768	9.7
449.28140	1.1
453.21112	2.8
465.21219	2.5
497.30722	1.5
677.35114	39.4
678.35193	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	677.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06042	0.5
55.05519	1.3
55.61261	0.5
57.03438	1.7
57.07085	0.6
61.02925	4.9
67.05503	4.2
69.03432	2.2
69.07072	1.3
69.13586	2.4
69.13993	1.7
73.02924	2.8
79.05496	1.7
81.03409	1.2
81.07060	3.8
83.08584	0.7
85.02893	3.8
87.04507	0.7
91.03963	2.7
91.05484	1.1
93.07040	3.2
95.08610	7.7
96.55820	0.7
97.02899	4.1
99.04484	1.1
101.02390	1.5
105.07046	1.3
107.08585	1.6
109.02884	0.9
109.10152	1.0
119.08598	0.7
121.10179	1.2
125.00081	0.8
127.03928	0.9
133.10165	0.9
149.06073	0.9
155.38477	0.6
159.10326	0.7
184.07356	1.2
185.04210	0.7
243.08475	2.0
256.26480	1.5
399.16190	4.5
455.36588	0.6
519.29370	5.7
520.29626	0.7
537.38220	1.0
677.38666	100.0
678.39032	8.8
680.97205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16663	0.5
52.61285	0.4
53.03940	1.0
55.01869	1.3
55.05514	8.1
57.03176	0.6
57.03438	7.2
57.07066	1.3
59.04985	1.1
61.02921	2.3
65.03938	1.0
67.05504	49.9
68.05830	0.8
69.03423	1.4
69.07066	10.5
70.16037	1.3
71.01344	1.8
71.04990	13.3
73.02931	0.5
75.25764	0.4
77.03911	0.5
79.05489	23.3
81.03414	3.2
81.07054	47.1
82.07402	1.1
83.04976	5.3
83.08616	6.7
85.02915	2.4
85.06540	5.8
86.09693	1.8
91.03958	1.1
91.05478	15.6
93.07043	30.5
94.07339	0.4
95.04971	3.9
95.08604	9.5
97.02902	1.6
97.06528	7.5
97.10162	4.9
99.04479	0.7
99.08093	2.3
105.04528	0.6
105.07030	5.3
105.45039	0.4
107.04971	0.9
107.08588	18.9
108.08926	0.6
109.06525	1.4
109.10152	16.9
111.08084	3.5
111.11720	0.7
117.07030	4.4
119.08571	5.3
121.06505	1.0
121.10144	8.2
122.10472	0.5
123.10865	0.7
123.11705	6.4
125.00017	1.0
125.09641	1.3
127.03989	0.4
131.08548	2.4
133.10120	7.8
133.11136	0.4
135.08031	0.6
135.11687	22.5
137.09607	2.4
139.11192	0.6
145.10117	3.4
147.11705	0.7
149.09637	0.6
149.13243	9.4
151.11192	2.9
153.12750	0.7
155.10675	0.8
159.11691	4.9
163.11203	2.5
169.12251	1.0
173.11732	1.6
177.12767	1.7
181.12271	3.3
183.13783	0.9
184.07317	6.2
187.13281	2.4
195.13805	3.4
211.13214	0.4
213.14838	0.9
225.14760	0.5
237.08788	0.4
255.15915	10.2
269.17471	8.7
287.18558	2.7
301.20041	3.1
357.28564	0.5
393.13660	0.4
405.26096	0.7
423.27386	40.1
424.27783	2.3
437.29028	5.7
449.28973	100.0
450.29297	7.3
453.20596	0.6
463.30600	1.5
481.31573	30.7
482.31717	1.9
593.33289	0.6
607.34296	0.5
625.35590	0.6
679.32904	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	678.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.07066	0.5
55.01873	1.2
55.05512	8.1
57.03443	6.3
57.07072	1.2
59.04974	0.7
61.02913	2.4
65.03946	1.7
67.05502	42.3
69.03407	0.9
69.06711	0.8
69.07066	11.5
69.16609	3.3
69.71221	0.6
71.04992	5.5
73.02914	1.7
79.05490	18.7
81.03420	1.9
81.07053	63.6
82.07391	0.6
82.95770	0.5
83.04974	4.2
83.08615	8.2
85.02907	1.9
85.06550	6.1
86.09706	2.1
91.05476	12.2
93.07042	32.2
95.04968	4.0
95.08597	11.2
97.02892	1.2
97.06515	8.0
97.10171	1.7
99.08092	2.0
105.04531	0.8
105.07022	5.7
107.07854	0.9
107.08584	16.9
109.06532	1.9
109.10172	3.4
111.08070	4.5
111.11749	0.7
113.05995	0.9
117.07009	5.2
119.08604	2.1
121.06489	0.8
121.10139	9.7
123.11710	5.4
125.00002	2.1
127.03922	0.6
129.07028	0.5
131.08585	6.7
133.10129	9.0
135.08051	0.8
135.11691	4.8
139.11237	0.8
145.10104	0.5
147.11658	0.7
148.12732	0.5
149.13251	18.6
150.13573	0.7
151.11223	2.7
159.11694	10.1
159.12975	0.8
169.12166	1.1
177.12726	3.5
184.07326	8.6
187.13332	3.1
195.13809	6.5
213.14919	1.5
243.15933	7.4
269.17456	31.4
270.17722	1.6
287.18512	8.0
385.53329	0.5
423.27652	0.7
426.63879	0.7
435.30981	0.8
437.28970	100.0
438.29321	6.5
445.29605	3.1
449.28946	1.4
463.30521	30.2
464.30920	1.8
481.31577	27.6
481.38754	0.6
482.31717	1.6
500.18033	0.6
607.34351	1.0
625.35419	1.4
678.26886	3.2
679.32172	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	678.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.1
57.03441	1.0
57.07076	28.2
59.05003	1.1
67.05499	2.1
69.03427	0.9
69.07066	4.4
69.39764	1.1
69.40171	2.0
71.08631	43.4
73.02949	0.5
73.06558	2.1
77.34306	0.6
79.05513	1.2
81.03409	1.0
81.07046	1.8
83.08620	2.0
85.02954	0.6
85.10191	2.4
87.04470	21.7
87.05002	1.4
89.06030	100.0
90.06379	0.6
91.05479	8.8
93.07043	6.8
95.05003	3.0
95.08582	1.4
97.02901	0.7
97.10157	0.8
98.22607	1.2
103.05476	1.4
105.04517	1.1
105.07034	2.6
106.85580	0.7
107.04957	2.1
107.07079	2.0
107.08596	3.0
109.10172	0.9
117.07004	1.5
117.09133	1.2
118.07793	1.5
119.04966	2.8
119.08570	6.9
121.06502	22.1
121.10159	1.6
123.08070	1.0
129.07024	0.6
130.08643	2.2
131.07037	11.4
131.08575	1.1
133.08601	68.9
134.08965	1.3
135.08087	3.2
135.11711	1.3
145.10120	1.5
147.08049	13.1
147.11621	0.9
149.09624	3.4
159.11711	0.7
161.09659	0.6
163.11203	2.5
165.07834	1.3
165.09103	10.0
167.10680	2.3
173.09607	0.7
173.13293	0.9
175.09671	7.0
175.11060	1.1
177.11218	29.8
191.10664	4.0
193.12263	2.0
209.11725	5.7
211.13350	4.3
219.12294	1.9
221.13786	8.2
221.15500	0.6
223.15363	0.7
229.14287	1.1
235.13258	3.8
239.14883	1.6
247.17982	1.0
247.20563	20.3
248.20898	1.0
253.14323	1.5
255.15939	3.4
256.26324	0.8
265.16528	2.6
267.15851	1.5
273.22174	4.8
279.15665	1.3
283.17505	2.5
289.25238	1.5
291.23166	30.8
292.23523	1.8
299.18625	1.4
309.18939	1.3
315.18143	1.1
317.24817	3.6
323.18619	0.9
333.23996	0.8
335.25793	11.1
335.99579	0.8
353.21671	1.1
379.28555	0.8
529.36975	0.8
535.31354	5.3
573.40723	0.6
617.42450	2.0
661.45233	15.3
662.45807	1.5
678.36902	1.4
678.47668	12.3
679.39423	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	679.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56424	0.2
55.28225	0.2
64.12361	0.3
69.62350	0.5
69.62727	0.5
139.03943	0.3
159.16422	0.2
181.04871	0.3
221.04521	0.5
252.01234	0.5
270.02167	0.4
276.01270	0.3
291.03506	0.7
294.02206	1.5
309.04507	3.6
321.04736	1.2
347.52899	0.3
351.06857	100.0
352.07202	4.5
369.07980	3.1
392.09515	0.9
411.07767	1.6
423.08102	0.4
471.53436	0.3
559.09332	0.7
577.10547	1.5
628.42108	0.3
639.70636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.05506	0.9
57.03438	1.3
61.02928	2.9
67.05511	2.8
69.03117	0.3
69.03425	2.0
69.07058	0.9
71.04987	0.7
73.02930	1.7
73.66830	0.4
79.05110	0.3
79.05492	2.0
81.03426	2.1
81.07055	2.9
82.32153	0.3
83.04979	0.8
83.08640	0.6
85.02904	3.0
85.07982	0.3
91.03970	2.3
91.05499	1.6
93.07049	3.1
95.04986	0.9
95.08616	1.2
97.02898	2.9
97.06571	0.5
98.62170	0.4
99.04472	0.7
101.02388	0.7
103.03950	0.3
105.07066	1.3
106.03921	0.3
107.08614	1.6
108.08987	0.3
109.02911	0.7
109.06517	0.4
109.10153	0.8
110.68006	0.4
111.08093	0.5
117.07027	0.9
119.08579	0.7
121.10156	1.0
127.03923	1.0
129.05556	0.4
131.08629	0.7
133.10144	1.3
135.11705	0.9
145.10139	1.1
147.07968	0.4
149.09673	0.3
149.13274	1.2
151.11201	0.5
159.11719	0.9
163.11224	1.4
184.07323	1.0
185.04190	0.4
193.12373	0.4
203.05196	0.4
209.11768	0.4
211.13397	0.6
218.20132	0.3
227.12813	0.4
230.63553	0.4
235.12999	0.4
241.14738	0.4
243.08392	3.7
247.59711	0.4
249.11082	0.9
253.14438	1.8
254.14696	0.6
360.80524	0.4
419.52863	0.4
439.19312	0.4
446.30069	0.6
453.21005	7.4
453.26999	0.6
461.24933	0.5
463.30695	0.7
464.31552	0.7
467.18900	5.9
468.19162	0.5
482.27823	0.6
493.78268	0.4
517.27930	0.9
633.32916	0.6
679.33008	100.0
680.33289	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	679.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
54.96205	0.3
55.01873	0.9
55.05515	1.6
57.03436	1.7
57.16222	0.3
57.23518	0.3
61.02928	3.3
62.54673	0.3
67.05505	5.5
69.03419	1.9
69.07063	2.0
69.13308	0.8
69.13715	1.1
71.01370	0.5
71.04995	0.8
73.02917	2.9
77.18126	0.3
79.05486	2.7
80.05823	0.4
81.03410	2.0
81.07056	6.5
82.07374	0.6
83.04993	0.9
83.08620	1.2
85.02910	3.9
85.06552	0.5
86.09715	0.4
86.19522	0.4
91.03951	2.8
91.05477	2.4
92.05835	0.6
93.07043	5.1
94.07374	0.6
95.04981	1.2
95.08604	2.7
96.08958	0.4
97.02901	3.8
97.06544	1.4
97.10178	0.7
98.22694	0.7
99.04431	0.8
100.11259	0.4
101.02370	1.5
103.03959	0.5
105.07024	2.4
106.07365	0.3
107.04957	0.4
107.08604	2.3
109.06528	0.8
109.10167	0.9
111.08040	0.4
115.03914	0.4
117.07024	1.1
119.08535	1.5
121.06525	0.7
121.10164	1.9
123.11694	0.4
127.03932	1.2
129.07018	0.7
131.08569	2.1
132.08925	0.8
133.10161	1.8
134.10516	0.5
135.08066	0.4
135.11725	0.9
143.08569	0.7
145.10173	1.8
147.11664	0.8
149.13268	1.5
155.08606	0.5
157.10109	0.5
158.10522	0.4
159.11708	1.2
163.11230	0.9
177.12747	0.4
184.07370	0.8
185.04236	0.8
185.13324	0.4
189.49576	0.3
191.10532	0.3
193.12244	0.3
195.12042	0.4
195.13834	0.6
197.13249	0.4
203.05197	0.5
210.14903	0.3
235.12915	0.5
243.08411	3.6
249.11073	0.9
253.14442	0.9
269.17432	1.5
291.15637	0.5
298.29965	0.3
305.13660	0.4
344.26443	0.5
354.25162	0.9
428.28683	0.6
436.31552	0.6
437.28757	0.5
438.29852	0.6
439.19672	0.7
445.29465	1.8
446.29877	4.6
453.20935	7.7
454.21252	0.9
461.25247	0.4
463.30762	2.5
464.30988	7.1
465.28336	0.4
467.18973	5.5
481.31598	0.6
482.32687	2.3
517.27588	0.9
651.34100	0.5
661.32172	0.6
679.32971	100.0
680.33362	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	679.3296
Annotation	Toxiusol
Peak:m/z	Relative Intensity
55.01874	0.4
55.05500	0.8
57.03431	1.5
61.02923	2.8
66.53965	0.3
67.05507	2.6
69.03432	1.2
69.07080	0.8
71.05000	0.5
73.02914	2.5
79.05479	2.4
81.03421	1.9
81.07056	2.8
83.04976	0.8
83.08616	0.9
85.02888	2.7
91.03951	2.0
91.05499	1.7
93.07053	3.1
93.55315	0.4
95.04962	1.1
95.08620	1.6
97.02879	3.1
97.06565	0.8
98.14849	0.3
101.02389	1.4
105.07040	0.9
107.04977	0.4
107.08605	1.9
109.02891	0.5
109.10146	0.7
117.06976	0.8
119.08588	0.7
121.10169	1.3
127.03935	0.9
131.08543	0.8
133.10144	0.8
135.11682	2.0
145.10147	0.9
147.11711	0.4
149.13268	1.2
159.11667	0.7
162.80159	0.4
163.11215	1.6
184.07390	0.6
185.04225	0.8
209.11865	0.6
235.13063	0.4
243.08388	6.5
249.10980	0.8
255.16043	1.4
267.15909	1.2
269.17517	0.6
272.01056	0.4
283.15552	0.9
304.01819	0.4
340.93320	0.4
439.19354	0.9
447.27551	2.7
453.20853	8.2
461.25012	0.5
467.18872	7.4
517.27905	1.1
612.19635	0.5
651.33484	0.7
679.32941	100.0
680.33246	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	679.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39985	0.3
53.03952	0.4
55.05514	1.3
57.03434	1.7
57.07077	0.5
58.90333	0.6
59.79823	0.4
60.08157	0.7
61.02934	3.0
65.28867	0.4
66.65008	0.4
67.05502	5.1
67.11662	0.3
68.05846	0.7
69.03432	1.7
69.06714	2.7
69.07085	1.0
71.04986	1.1
73.02926	1.6
73.65013	0.4
78.65733	0.4
79.05490	3.8
81.03423	1.7
81.07062	5.8
82.07433	0.4
83.04977	1.3
83.08626	2.3
84.37423	0.4
85.02908	2.5
85.06541	0.6
86.09712	2.9
91.03975	1.7
91.05487	1.9
93.07044	4.9
95.04994	0.9
95.08600	2.9
97.02902	2.1
97.06546	1.0
99.04431	0.7
101.02393	0.9
105.07030	1.3
107.04947	0.6
107.08599	4.0
109.02907	0.5
109.10179	1.0
111.08134	0.7
117.07001	0.9
119.08620	0.9
120.32179	0.4
121.10155	1.4
125.00013	2.3
127.03925	0.8
129.69267	0.4
131.08549	0.8
133.10091	0.7
135.11716	2.7
135.57799	0.4
145.10141	1.8
149.13312	1.7
159.11707	0.9
163.11198	4.5
181.12314	1.0
184.07347	10.9
185.07716	1.8
195.13811	0.5
219.09879	0.8
227.12793	3.3
235.13071	1.0
243.08357	2.2
249.11011	5.8
269.17480	0.9
286.14633	0.5
291.15689	0.4
305.13681	1.7
424.27533	0.4
427.28760	0.4
438.29568	0.7
446.29849	0.5
449.28589	0.5
450.29242	1.8
453.20969	8.1
454.20792	0.6
463.30612	1.1
464.30945	2.7
467.18881	10.8
467.25546	0.5
468.19379	0.7
473.01828	0.4
481.31778	0.6
482.31995	1.3
517.27734	0.8
608.35455	0.5
610.57568	0.4
679.33002	100.0
680.33350	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	679.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.17491	0.6
55.01862	1.1
55.05507	20.0
57.03435	7.6
57.07071	11.7
61.02923	19.2
65.03929	2.5
67.05499	82.1
68.05835	0.8
69.03421	3.2
69.07061	28.9
70.06599	0.9
71.04989	1.9
71.08624	6.7
71.43466	0.9
73.02914	8.4
75.04472	1.5
79.05485	23.9
79.90005	0.7
81.03418	2.2
81.07050	100.0
82.07388	1.6
83.04971	2.1
83.08613	22.7
85.02895	22.0
85.06558	2.9
85.10190	2.8
88.07646	1.2
91.03948	17.6
91.05467	17.6
93.07037	24.3
95.04957	2.3
95.08597	83.2
96.08929	1.3
97.02891	10.5
97.06521	8.1
97.10162	14.5
99.04453	1.4
99.08091	4.3
100.11247	0.9
101.02391	1.0
102.09163	0.8
103.03930	1.4
105.04517	1.0
105.07026	12.1
107.08586	19.5
108.08940	0.9
109.02859	1.0
109.06532	1.2
109.10145	42.7
110.00833	0.6
110.10500	0.8
111.08083	4.7
111.11712	4.3
113.09655	2.7
115.03934	1.3
119.08565	12.9
121.10138	23.9
123.08081	1.2
123.11694	21.0
125.09628	2.2
125.13268	1.8
126.35548	0.6
127.03894	6.8
127.11198	1.7
129.05466	1.0
131.08553	1.3
133.10117	16.4
135.11684	14.3
137.09613	2.2
137.13240	9.7
139.11206	1.7
139.14893	0.8
141.12717	3.5
145.04942	9.9
147.11664	12.2
149.02341	1.5
149.13243	11.5
150.02670	0.6
151.11197	1.9
151.14807	7.6
153.12730	1.6
155.14276	5.7
161.13246	15.8
162.13503	0.8
163.06001	12.9
163.14801	10.1
165.12741	1.9
165.16374	9.1
167.14307	1.9
175.14812	13.0
177.16360	2.3
177.20386	0.6
179.14369	2.0
179.17917	8.4
181.15849	2.8
189.16330	5.3
189.43518	0.6
193.05003	1.7
193.15872	1.4
203.17957	1.9
207.17456	0.9
208.94395	0.6
217.19452	2.5
219.08752	0.8
221.18880	0.8
233.67509	0.7
245.22621	68.5
246.22931	3.5
256.26334	2.3
257.26669	2.2
263.23682	95.3
264.24048	4.6
265.25250	1.9
266.81711	0.7
281.24762	2.1
337.27332	72.3
338.27698	3.7
355.28415	10.3
371.25568	0.7
407.28119	0.8
445.29822	0.8
447.15726	0.6
463.29880	0.6
481.31235	1.1
499.32574	7.6
509.74829	0.8
678.54254	2.7
679.37048	6.9
679.54785	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	679.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	1.1
55.05514	3.5
57.03433	1.8
58.61648	0.9
61.02929	6.7
67.05502	5.4
69.03434	3.6
69.07072	1.2
69.16416	1.7
69.16813	3.9
73.02924	3.7
77.90599	0.8
79.05506	3.4
81.03441	2.9
81.07066	4.3
83.08631	1.7
84.44406	0.9
85.02904	5.3
91.03970	5.5
91.05470	2.0
93.07059	3.1
95.04974	1.2
95.08633	3.2
97.02895	5.1
97.10175	3.0
99.04417	1.0
100.11314	1.1
101.02380	1.6
105.07025	1.8
107.08605	3.0
109.10151	2.5
119.08607	1.1
121.10130	1.4
125.09622	1.6
126.76950	1.0
127.03975	1.3
131.08606	0.9
133.10175	0.9
159.11714	1.1
185.04175	1.3
338.42624	0.9
401.17795	5.8
519.29144	6.4
539.40076	1.0
679.40240	100.0
680.40802	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	679.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05510	4.2
57.03444	1.6
57.07069	3.7
61.02923	4.4
61.83947	0.7
64.30157	0.6
67.05497	4.8
69.03439	2.1
69.07091	0.8
71.01341	0.9
71.08639	1.6
73.02922	2.6
79.05502	2.6
81.03427	2.2
81.07063	3.0
81.74033	0.7
83.08636	2.2
85.02898	4.6
87.04486	2.7
89.06046	6.7
91.03966	2.9
91.05510	1.7
93.07059	2.3
95.04993	1.1
95.08616	2.6
97.02890	4.6
97.10201	2.8
99.04446	0.8
101.02401	2.1
105.07052	1.6
107.07932	0.8
107.08608	3.3
109.02924	1.6
109.10182	1.7
119.08637	1.1
121.06526	1.1
121.10116	1.0
125.09666	2.8
127.03944	1.9
131.08589	0.8
133.08626	3.3
135.08113	1.6
142.77432	0.7
147.08073	0.9
161.09627	1.2
177.11255	2.3
180.58200	0.8
217.04993	0.7
217.14314	1.4
243.08452	1.0
291.23251	1.2
326.27252	0.7
401.17792	8.9
519.29242	2.1
629.95172	1.0
658.90161	0.9
662.45343	1.0
679.40247	100.0
680.40607	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	680.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.2
52.40966	0.1
55.05511	2.5
67.05524	0.2
69.03426	0.8
76.64191	0.1
78.24948	0.1
81.03420	0.5
83.04980	6.8
85.02895	0.7
91.05460	0.2
95.04952	0.1
97.02891	100.0
98.03226	1.3
99.04450	0.3
109.02844	0.2
115.03931	0.2
123.04397	0.2
125.02365	0.4
127.03913	0.4
137.05966	0.4
139.03825	0.2
147.04477	0.2
151.03923	0.8
151.07530	0.4
163.04016	0.1
165.05533	0.2
179.07019	0.8
181.04932	0.3
193.04903	0.8
197.08087	8.2
211.06061	0.3
215.09149	7.7
229.07069	0.4
244.37344	0.1
247.07964	0.2
259.10742	0.5
260.11093	0.2
272.31784	0.2
281.05374	0.2
299.09006	0.2
301.11987	0.3
302.12122	0.2
311.11215	0.4
319.12750	0.5
320.13220	0.3
329.12427	1.7
347.13379	0.9
358.26074	0.2
358.43649	0.1
394.15167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04513	1.3
53.03947	2.2
55.01869	1.3
55.05508	8.6
55.86636	1.0
57.03436	12.4
57.07067	1.4
57.15771	1.0
61.02925	3.0
65.03926	1.0
67.05160	2.0
67.05504	30.4
69.03420	3.1
69.07069	7.7
71.01344	3.1
71.04987	3.4
73.02913	2.5
79.05490	23.4
81.03419	50.3
81.07054	19.5
83.04986	8.2
83.08621	11.0
85.02925	5.3
85.06533	2.5
86.09705	2.9
91.03957	1.1
91.05478	16.8
93.07047	27.7
95.04973	15.3
95.08614	7.9
97.02888	2.8
97.06535	7.4
97.10171	6.7
99.08116	1.3
105.04479	1.7
105.07027	10.2
107.04946	4.4
107.08588	16.6
109.06540	2.6
109.10133	8.3
111.04445	1.7
111.08066	5.3
111.74158	1.3
117.07011	4.9
119.08588	13.5
121.06472	2.8
121.10144	8.5
123.08057	1.2
125.00026	2.0
125.09641	1.5
129.06950	5.2
131.08537	5.0
131.09526	1.1
133.06438	1.7
133.10127	6.5
135.08060	1.1
135.11691	29.8
137.09636	2.0
145.10175	6.5
147.08060	2.0
147.11662	3.9
149.09631	3.1
157.10098	5.6
163.11266	6.3
165.12811	1.5
175.11166	6.4
181.12267	6.4
184.07356	6.8
193.12253	14.9
211.13278	1.8
235.13258	1.7
243.08330	1.6
249.14584	1.2
254.92047	1.2
255.15918	63.1
256.16241	1.7
267.15891	36.5
268.16354	1.7
309.16904	1.2
332.21039	1.4
377.10272	1.3
395.84973	1.2
421.25891	9.2
439.26889	2.5
447.27420	100.0
448.27869	7.1
453.20935	4.9
465.28445	8.2
469.20483	3.3
483.29565	2.7
489.28757	1.8
680.33282	16.9
680.50378	2.4
681.34491	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60956	0.3
54.16135	0.3
67.05498	1.1
69.07050	1.2
69.44267	1.1
80.05017	0.5
81.03402	0.3
81.07052	0.3
86.03162	0.3
94.06571	4.0
95.04961	1.0
106.06586	0.4
109.02910	0.3
110.06071	0.5
110.81145	0.3
112.07598	0.3
112.13425	0.3
115.05415	0.4
116.05045	0.3
120.08072	0.4
122.06024	11.4
123.04425	0.6
124.07583	0.7
127.03963	0.3
133.78174	0.3
136.07558	1.0
139.03888	0.6
140.07063	8.8
144.04472	0.4
145.10231	0.4
146.06001	4.0
148.07556	6.2
150.05518	2.9
160.07533	0.9
164.07095	0.5
168.06581	1.3
170.09697	0.4
172.03943	1.7
172.07539	0.5
173.04637	0.3
174.05530	1.4
182.08109	1.8
183.09015	0.4
185.10635	0.5
186.09113	0.8
187.08676	0.7
188.07080	0.9
189.10242	0.5
190.04979	6.0
191.05807	0.4
192.06557	0.7
196.07515	0.3
196.09679	0.4
199.08578	0.4
200.10793	0.5
201.10204	1.4
202.11011	0.6
203.11778	1.1
204.06395	0.3
208.09674	0.4
210.09138	0.4
211.08665	0.7
212.07176	0.5
212.09254	0.3
213.10225	1.2
214.08629	0.9
214.10672	0.4
215.08073	1.3
215.11729	0.6
216.12575	0.5
217.09714	0.9
217.13438	0.7
225.10254	0.4
227.08105	0.5
227.11821	0.8
228.10152	1.0
229.09721	7.5
229.13216	0.4
230.10449	5.8
231.11240	2.4
232.11920	0.4
239.08173	0.9
240.08904	0.5
241.09711	1.7
243.11293	3.5
244.12070	2.7
245.09215	0.7
245.12808	1.4
247.10774	1.2
253.09897	0.4
254.10579	0.6
255.08815	0.4
255.11330	1.1
256.09631	1.6
257.09265	1.5
257.12860	4.1
258.09991	4.1
259.07184	1.0
259.10779	6.1
260.11487	0.9
261.12372	0.7
271.10712	3.1
272.11496	3.9
273.12311	11.2
274.10507	0.6
274.13092	0.5
275.10333	1.7
283.10809	0.8
284.09064	0.4
287.13867	3.9
288.12271	0.5
289.11798	7.9
290.12564	3.1
291.13315	0.8
299.10388	1.4
300.11075	4.9
301.11813	8.0
302.12286	0.5
303.13333	1.1
305.14923	0.9
313.11707	1.4
315.13339	4.6
317.11569	0.7
318.12119	3.8
319.12857	4.2
331.12808	0.8
332.13574	0.8
333.14429	100.0
334.14731	4.1
345.14514	0.4
351.15494	25.0
352.15750	1.1
352.65350	0.3
388.16647	0.3
402.18109	0.4
428.15979	0.3
446.16907	1.0
518.30316	0.3
543.25787	0.4
645.25531	0.6
681.28192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60956	0.3
54.16135	0.3
67.05498	1.1
69.07050	1.2
69.44267	1.1
80.05017	0.5
81.03402	0.3
81.07052	0.3
86.03162	0.3
94.06571	4.0
95.04961	1.0
106.06586	0.4
109.02910	0.3
110.06071	0.5
110.81145	0.3
112.07598	0.3
112.13425	0.3
115.05415	0.4
116.05045	0.3
120.08072	0.4
122.06024	11.4
123.04425	0.6
124.07583	0.7
127.03963	0.3
133.78174	0.3
136.07558	1.0
139.03888	0.6
140.07063	8.8
144.04472	0.4
145.10231	0.4
146.06001	4.0
148.07556	6.2
150.05518	2.9
160.07533	0.9
164.07095	0.5
168.06581	1.3
170.09697	0.4
172.03943	1.7
172.07539	0.5
173.04637	0.3
174.05530	1.4
182.08109	1.8
183.09015	0.4
185.10635	0.5
186.09113	0.8
187.08676	0.7
188.07080	0.9
189.10242	0.5
190.04979	6.0
191.05807	0.4
192.06557	0.7
196.07515	0.3
196.09679	0.4
199.08578	0.4
200.10793	0.5
201.10204	1.4
202.11011	0.6
203.11778	1.1
204.06395	0.3
208.09674	0.4
210.09138	0.4
211.08665	0.7
212.07176	0.5
212.09254	0.3
213.10225	1.2
214.08629	0.9
214.10672	0.4
215.08073	1.3
215.11729	0.6
216.12575	0.5
217.09714	0.9
217.13438	0.7
225.10254	0.4
227.08105	0.5
227.11821	0.8
228.10152	1.0
229.09721	7.5
229.13216	0.4
230.10449	5.8
231.11240	2.4
232.11920	0.4
239.08173	0.9
240.08904	0.5
241.09711	1.7
243.11293	3.5
244.12070	2.7
245.09215	0.7
245.12808	1.4
247.10774	1.2
253.09897	0.4
254.10579	0.6
255.08815	0.4
255.11330	1.1
256.09631	1.6
257.09265	1.5
257.12860	4.1
258.09991	4.1
259.07184	1.0
259.10779	6.1
260.11487	0.9
261.12372	0.7
271.10712	3.1
272.11496	3.9
273.12311	11.2
274.10507	0.6
274.13092	0.5
275.10333	1.7
283.10809	0.8
284.09064	0.4
287.13867	3.9
288.12271	0.5
289.11798	7.9
290.12564	3.1
291.13315	0.8
299.10388	1.4
300.11075	4.9
301.11813	8.0
302.12286	0.5
303.13333	1.1
305.14923	0.9
313.11707	1.4
315.13339	4.6
317.11569	0.7
318.12119	3.8
319.12857	4.2
331.12808	0.8
332.13574	0.8
333.14429	100.0
334.14731	4.1
345.14514	0.4
351.15494	25.0
352.15750	1.1
352.65350	0.3
388.16647	0.3
402.18109	0.4
428.15979	0.3
446.16907	1.0
518.30316	0.3
543.25787	0.4
645.25531	0.6
681.28192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98291	0.3
51.68889	0.3
53.79398	0.3
54.35884	0.3
55.01892	0.5
55.05516	0.6
67.05507	1.0
69.03435	0.4
69.07063	0.6
70.05208	0.8
70.05537	0.4
70.42072	0.3
79.05510	0.7
80.21873	0.4
81.03420	0.6
81.07071	2.2
83.04968	0.4
85.02912	1.3
87.00816	0.5
91.05491	0.9
93.07044	1.6
95.08626	1.2
105.01863	0.4
105.07043	1.1
107.08619	1.5
109.10156	1.1
110.06051	0.6
119.08617	1.1
120.04395	0.3
121.10158	0.7
122.06049	2.4
124.07591	0.6
127.03923	0.4
131.08585	0.6
133.10162	1.2
136.07664	0.6
137.09599	0.4
140.07057	2.1
145.10092	2.0
146.06055	1.6
150.05489	0.6
151.03975	0.6
159.11702	1.1
161.13281	0.7
163.11214	0.9
172.03912	1.9
174.05573	1.0
175.14932	0.5
186.09186	1.4
201.16454	1.5
202.11118	0.6
203.11856	1.1
204.06566	2.4
206.08206	1.3
208.09753	0.8
213.10452	0.5
214.08641	2.4
215.08191	1.3
219.17435	2.5
227.11649	0.5
228.10266	1.5
229.09848	0.5
230.10507	0.5
231.11319	1.5
241.09760	0.6
242.08215	0.6
245.12796	0.4
255.11377	1.5
256.09778	0.7
257.12897	0.6
259.08124	0.7
259.10770	17.6
260.11221	0.9
265.09714	0.4
273.12354	1.7
283.10944	0.8
287.10504	0.4
301.11826	14.1
302.12320	0.4
313.11874	1.3
319.12878	22.7
320.13324	0.9
333.14734	0.8
337.13861	7.7
345.14505	1.0
347.09616	1.3
357.18799	2.4
373.14059	1.3
421.13177	0.5
487.21729	1.1
502.51486	0.4
519.24133	26.5
520.24249	1.7
527.87769	0.4
580.67218	0.4
621.27692	0.5
649.26886	0.8
681.29376	100.0
682.29645	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	681.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94013	0.4
55.05493	0.5
58.13674	0.6
59.23020	0.4
61.02943	0.5
67.05508	1.2
69.59587	0.4
70.00072	0.4
70.50198	0.8
73.02923	0.8
79.05520	0.6
81.07062	1.5
84.03178	0.5
85.02901	1.1
91.05454	0.7
93.07017	0.9
95.08605	0.8
98.22766	0.5
107.08603	0.6
108.23482	0.5
120.40575	0.4
133.10172	0.5
141.82776	0.5
269.10489	0.7
309.49881	0.6
371.15100	1.0
453.20975	1.0
469.20493	1.2
487.18384	0.8
532.13159	0.6
681.32660	100.0
682.33044	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	681.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62326	0.2
69.34128	0.9
69.34534	0.4
73.19647	0.2
92.53102	0.2
97.02897	0.2
115.61438	0.2
131.00188	0.4
187.67441	0.3
230.34743	0.3
237.00212	0.3
251.09721	0.3
269.10593	1.2
287.11670	0.4
463.34576	0.3
469.18405	1.0
487.18280	1.4
681.32440	100.0
682.32806	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	681.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
57.03428	0.8
61.02923	1.8
67.05507	2.4
69.03428	1.1
69.07085	0.5
73.02917	1.2
75.73309	0.3
79.05507	1.2
81.03410	2.0
81.07063	2.8
83.04971	0.3
83.08632	1.0
85.02910	2.8
91.03951	1.4
91.05471	1.7
93.06527	0.3
93.07021	1.8
95.04970	1.0
95.08608	1.1
97.02903	2.4
97.06529	0.4
98.23526	0.6
99.04497	0.4
100.11268	0.7
101.02376	1.0
105.07037	1.0
107.08613	1.1
109.02906	0.3
109.06535	0.5
109.10191	0.3
111.04412	0.3
111.08088	0.5
117.06998	0.3
119.08604	0.5
121.10163	0.8
127.03931	1.0
131.08589	0.5
133.10132	0.6
145.10043	0.3
147.11687	0.6
149.13268	0.8
157.05061	0.3
157.10201	0.6
157.72662	0.3
163.11264	0.3
175.11205	0.6
185.04250	0.9
193.12279	1.2
211.13283	0.8
235.13129	0.8
243.08400	3.3
251.12666	1.0
269.17590	0.7
303.54718	0.3
352.50586	0.3
361.21936	0.3
453.20972	6.2
453.26944	0.5
454.21841	0.5
469.20462	10.1
470.20746	0.5
514.42981	0.3
519.29242	0.6
680.53021	0.4
681.34515	100.0
682.35004	8.3
696.26868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01880	0.5
55.05507	0.6
57.03430	1.3
61.02922	3.0
61.11049	0.3
67.05499	3.7
69.03414	2.1
69.07059	0.9
69.43909	0.3
71.04987	0.8
73.02911	2.1
79.05502	2.4
81.03415	2.5
81.07055	3.8
83.04984	0.7
83.08626	1.7
85.02897	3.6
90.83860	0.3
91.03973	2.3
91.05483	1.9
91.58223	0.3
93.07045	2.8
95.04976	1.1
95.08621	1.0
97.02890	3.4
97.06551	0.6
98.28802	0.3
99.04467	0.6
100.44994	0.3
101.02374	1.5
105.07048	0.9
107.08617	1.8
109.02898	0.4
109.06575	0.3
109.10142	0.5
111.08096	0.7
115.03927	0.3
117.07028	0.5
119.08633	0.8
121.10191	1.2
127.03944	1.2
129.07010	0.4
131.08562	0.7
133.10159	0.7
135.11696	0.7
147.11670	0.7
149.13281	2.5
159.11769	0.9
165.12727	0.3
175.11189	0.9
177.12825	0.5
185.04359	0.5
193.12199	2.0
211.13420	1.1
235.13052	0.9
239.16461	0.4
243.08330	2.1
251.12540	3.7
269.17505	0.7
291.15689	0.7
307.15292	1.0
358.15237	0.3
441.83148	0.4
453.20917	9.7
469.20416	6.0
492.36935	0.4
519.28931	0.4
635.34186	1.5
647.13586	0.3
681.34473	100.0
682.34784	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	681.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.05516	31.7
57.03432	7.0
57.07078	16.0
61.02930	14.7
67.05506	30.7
67.70387	2.0
69.03428	2.4
69.07071	42.0
70.94804	2.1
71.08641	11.5
71.09088	1.9
73.02921	5.3
79.05505	14.9
81.07053	40.8
83.08624	29.9
85.02905	21.0
85.10199	5.2
85.11630	2.2
86.30872	2.0
91.03956	16.5
93.07049	22.7
95.08603	42.4
97.02901	9.0
97.06538	8.0
97.10163	27.1
107.08588	16.9
108.97316	2.0
109.10144	17.1
111.08091	6.7
111.11707	8.4
121.10155	37.3
123.11728	8.1
125.09681	3.6
127.03926	6.1
135.11694	28.4
137.13257	3.9
139.11201	3.1
145.04967	9.6
149.13231	14.6
151.14804	5.7
163.06038	9.1
163.14825	4.7
165.16370	3.9
191.17911	2.6
218.76015	2.4
231.59259	2.3
247.11575	2.2
247.24207	38.9
248.24550	2.9
263.81314	2.2
265.25278	83.6
266.25580	3.7
283.26358	14.3
339.28925	100.0
340.29214	3.6
357.30057	32.4
501.33810	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	682.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	7.5
66.07052	0.2
69.03427	1.6
71.44852	0.3
73.02914	0.4
73.84174	0.2
81.03428	0.7
81.07050	0.6
83.01348	0.3
85.02917	1.8
85.06548	2.0
87.00838	0.5
88.87460	0.2
95.04946	0.3
95.08596	0.3
97.02895	100.0
98.03226	1.0
99.04474	0.3
105.01875	0.4
105.07022	0.3
107.08567	0.4
109.02888	0.5
109.10164	0.3
111.04417	0.3
115.03947	0.6
125.02353	0.5
127.03935	0.8
137.02324	0.6
137.06001	0.6
139.03937	0.4
145.10077	0.3
151.03885	0.4
163.03920	0.3
169.04916	0.2
175.07542	0.5
181.05045	0.2
191.10789	0.3
193.04941	1.1
193.08659	0.7
199.09665	2.3
201.16385	0.5
211.06042	0.3
217.10710	12.0
219.17493	0.4
229.07079	0.5
237.11282	1.3
255.12251	1.3
266.86996	0.2
313.12756	1.0
323.14975	0.4
331.13821	6.3
331.51492	0.2
349.14957	0.9
361.15121	1.5
370.49420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.9
69.07042	1.0
69.69014	1.4
70.78020	0.6
74.43919	0.7
78.45199	0.6
79.32683	0.7
80.67312	0.6
85.02887	1.0
87.31870	0.7
94.06571	1.6
108.08126	0.8
117.53809	0.7
122.06021	3.8
134.06006	1.1
140.07063	5.6
146.06029	2.7
148.07574	5.6
152.07068	11.3
154.08632	1.0
163.03894	0.9
164.07130	1.0
166.08675	2.0
194.08133	15.3
194.09779	1.3
195.06638	1.0
195.08359	0.8
196.09691	1.2
197.10680	0.8
198.11365	0.7
209.10612	0.7
211.12430	1.3
222.11220	4.7
225.10133	3.6
226.11050	3.2
227.11803	0.8
237.10194	1.0
238.11067	1.6
239.09398	1.0
239.11771	11.6
240.12614	1.3
241.13345	2.2
243.11383	0.7
248.09106	1.1
249.10107	1.4
251.11810	2.0
252.12508	1.1
253.09738	4.8
253.13316	3.1
254.10432	1.7
257.10184	1.6
263.11786	0.9
265.09775	2.4
266.10507	1.2
267.11313	9.5
269.12909	4.4
278.10455	1.1
279.11234	1.6
280.11984	1.1
281.12888	7.4
283.14563	1.3
285.12473	1.2
287.13934	5.5
293.09415	1.0
295.10733	1.6
297.12415	1.9
298.13083	2.4
299.13901	13.1
300.14459	1.0
303.13385	3.4
309.12329	5.5
310.12912	0.9
311.10614	1.4
311.13815	4.5
312.11169	1.5
313.11887	2.0
313.15509	1.9
314.16293	1.3
319.13055	0.9
323.13907	0.8
325.11880	1.1
326.12497	4.3
327.13385	32.9
328.13818	1.6
335.10568	1.0
335.14844	0.9
339.13440	10.3
340.13815	1.4
341.14948	33.8
342.15738	10.9
343.16425	1.5
353.11340	1.5
359.02774	0.8
367.12845	12.5
368.13559	2.5
369.14429	3.1
387.15530	1.2
430.17755	0.8
448.18536	0.8
466.96075	0.8
482.22873	100.0
483.23099	6.9
508.20828	24.4
509.21036	2.2
526.21899	6.3
527.22528	1.0
559.56567	0.9
589.26361	2.0
615.24121	2.4
683.28278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.361
Annotation	Lehualide K
Peak:m/z	Relative Intensity
51.76236	0.3
52.57769	0.3
54.80881	0.3
55.05493	0.8
57.03431	1.6
59.40226	0.3
61.02930	3.9
67.05503	5.2
69.03429	1.5
69.07064	1.4
71.01337	0.4
71.04984	2.9
73.02915	3.2
79.05492	2.1
81.03429	0.9
81.06287	0.4
81.07051	3.7
83.05001	0.7
83.08617	0.5
85.02903	3.5
85.06528	0.5
91.03966	2.4
91.05491	1.4
93.07047	3.4
95.04996	0.6
95.08604	0.7
95.52166	0.4
97.02891	2.9
97.06535	1.2
99.04450	0.6
100.76964	0.3
101.02398	1.5
101.49385	0.3
103.03937	0.6
105.07039	0.5
107.08594	2.1
109.02885	0.6
109.10173	2.3
111.04408	0.3
112.09328	0.3
115.03952	0.4
117.07024	0.6
119.08595	1.2
121.10155	0.9
127.03932	1.0
131.08527	0.6
133.10143	0.8
135.11633	2.3
137.09639	1.2
145.10147	0.5
149.13255	1.1
169.12297	0.5
173.55353	0.4
203.05371	0.5
235.13062	0.9
243.08354	2.3
253.14253	0.7
255.15926	0.4
316.86783	0.4
376.05142	0.4
439.19357	3.3
453.20993	6.3
471.22031	5.8
485.23752	1.5
534.23322	0.3
536.45581	0.4
683.36072	100.0
684.36334	9.3
698.63116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3614
Annotation	Lehualide K
Peak:m/z	Relative Intensity
51.28031	0.3
55.01859	0.5
55.05514	1.0
57.03436	0.9
61.02934	4.1
67.05505	5.5
69.03438	1.8
69.07072	1.2
71.04994	1.1
73.02037	0.3
73.02927	2.4
79.05518	1.8
81.03437	1.7
81.07060	6.5
83.05019	0.5
83.08611	0.6
85.02902	4.5
85.06543	0.7
91.03963	2.9
91.05493	1.2
93.07040	3.9
95.04994	0.4
95.08604	0.8
97.02888	3.1
97.06555	0.6
99.04460	0.5
101.02391	1.5
105.07006	0.6
107.08614	1.9
109.02869	0.4
109.10149	0.6
111.08095	0.6
114.68069	0.3
117.07010	0.5
119.08646	0.4
121.10155	1.3
123.11741	0.8
127.03944	1.1
131.08598	0.6
133.10170	1.4
135.11716	0.9
149.13274	2.3
151.11226	0.8
159.11710	1.4
164.24956	0.4
177.12804	0.5
185.04292	0.6
187.13263	0.7
195.13815	0.8
209.11481	0.5
215.34360	0.4
235.13086	1.3
243.08347	1.8
243.16048	0.9
253.14221	0.6
266.63229	0.4
269.17624	0.5
291.15674	0.5
427.19363	10.2
427.24911	0.7
428.19916	0.6
453.20978	7.9
454.21536	0.7
471.22067	3.9
478.63306	0.4
639.33435	7.9
640.33710	0.8
659.07971	0.5
665.35132	0.9
683.36102	100.0
684.36456	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	684.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
54.49215	0.6
55.01870	0.8
55.05516	8.2
57.03442	2.7
59.41480	0.6
61.86858	0.6
61.97067	0.6
65.03947	1.4
65.57420	0.6
67.05502	22.5
67.62846	0.5
69.03431	1.2
69.07072	5.5
70.52610	0.5
71.04983	1.9
73.04768	1.1
73.06566	1.4
77.03929	1.3
79.05491	38.1
81.03410	3.7
81.07057	18.7
83.04973	6.1
83.08616	3.7
85.02908	0.8
85.06551	2.0
91.05470	29.7
93.07044	34.4
95.04969	12.9
95.08601	11.4
97.02888	0.6
97.06528	2.5
97.10175	1.8
97.32396	0.6
98.23490	1.3
105.04536	3.1
105.07025	21.1
107.04955	2.5
107.08595	9.3
108.06097	0.6
109.06534	3.0
109.10154	2.5
117.07011	4.6
117.94835	0.6
119.08575	13.5
121.06506	2.2
121.10149	2.0
123.08085	3.0
125.47755	0.7
129.07001	8.7
131.08507	1.5
133.10120	4.3
143.08536	4.5
145.10138	5.1
147.08073	1.8
147.11682	19.8
148.12036	1.1
154.50609	0.7
161.09634	3.0
161.13229	6.4
163.11191	0.8
171.11690	14.4
178.95973	0.7
189.12762	7.2
207.13806	16.6
225.14929	1.9
263.16528	1.2
281.17474	45.8
282.17947	1.5
359.02710	0.8
469.29395	2.8
487.30545	100.0
488.30859	8.0
522.33301	1.6
684.38080	4.2
700.78284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.9
55.05742	2.2
57.03436	6.6
61.89767	2.0
65.03988	2.0
67.05508	22.2
69.07053	7.5
73.04756	4.9
73.06553	2.3
79.05492	41.3
81.03406	7.8
81.07059	23.5
83.04965	7.2
83.08635	3.6
91.05417	27.9
93.07043	41.6
95.04956	13.0
95.08594	12.7
97.06479	2.3
97.10162	3.0
105.04476	2.3
105.07034	23.6
107.04969	3.2
107.08590	10.3
109.06546	3.3
109.10180	4.0
117.07013	5.4
119.08578	13.2
121.10162	2.3
123.08066	3.7
128.06177	2.7
129.07007	12.3
131.08437	2.1
133.10127	6.4
135.11806	1.9
143.08572	4.9
145.10110	7.6
147.11656	25.8
161.13303	4.5
171.11707	17.7
189.12737	7.2
207.13797	18.6
281.17456	55.6
282.17856	2.9
359.02780	3.7
385.66214	2.3
429.08862	4.1
469.29645	3.7
474.32101	2.2
478.93857	2.5
487.30533	100.0
488.30673	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	684.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05951	2.6
55.05511	24.2
57.03434	8.4
57.07074	13.7
61.02929	25.4
67.05494	33.8
69.03409	5.1
69.07076	48.0
69.53902	10.5
71.04980	4.9
71.08640	9.1
73.02930	8.8
73.04757	6.8
75.04480	3.7
79.05501	16.8
81.07053	46.7
83.08612	41.1
85.02908	32.7
85.10199	6.6
91.03954	27.5
91.05812	12.3
93.07043	31.4
95.08608	41.1
97.02899	11.7
97.06547	11.4
97.10173	21.6
98.23466	5.5
107.08603	16.5
109.10172	23.0
111.08105	6.1
111.11722	11.0
121.07852	2.5
121.10147	48.1
123.11710	6.9
127.03935	6.4
135.11668	29.2
135.12477	2.6
137.13261	8.3
145.04980	11.7
149.04510	2.7
149.13246	13.2
151.14836	6.4
163.06003	24.7
163.14909	4.1
167.05673	3.2
233.22639	41.1
239.09393	3.3
251.23694	95.8
252.24173	7.2
269.24863	22.2
280.74384	3.0
325.27374	100.0
326.27789	5.0
343.28436	83.3
344.28720	7.0
359.02725	4.8
429.08813	7.6
487.32657	5.8
525.56372	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	685.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
53.42582	0.3
55.01872	0.9
57.03411	0.4
61.02926	0.8
67.58418	0.3
68.99784	1.0
69.03413	0.7
69.15568	0.4
69.15977	1.4
73.04705	0.3
77.03924	0.6
79.05481	1.5
81.03406	1.0
81.07056	0.5
85.02905	4.7
87.00818	0.9
91.05468	1.1
93.07054	0.4
95.01366	0.4
95.04967	2.0
97.02875	0.9
103.03943	0.7
105.04536	0.9
105.07030	0.5
107.04951	100.0
108.05282	1.1
109.02895	1.1
119.04935	0.4
119.08598	0.5
121.02847	0.9
121.06495	0.9
121.10137	0.4
123.04431	0.8
127.03931	0.5
129.01842	1.0
129.06946	0.6
131.04958	1.4
133.06517	0.7
135.04379	0.6
137.05977	1.1
139.03873	0.8
145.06503	0.9
147.02953	0.4
147.04407	2.4
149.02379	0.3
149.05986	1.5
151.03894	0.9
157.06462	0.7
159.04407	0.9
159.07997	0.5
161.06001	1.7
163.03912	1.5
169.06476	0.3
171.04448	1.1
171.07997	0.3
173.06026	1.2
175.03911	3.7
177.01900	0.3
177.05521	1.7
179.03386	0.4
181.04945	1.3
185.05968	1.1
187.03918	1.5
187.07535	0.6
189.04002	0.4
189.05511	1.6
191.03439	0.9
193.04951	2.3
197.05992	0.5
199.03851	0.7
199.07526	0.6
201.05411	1.5
203.03320	0.6
203.07014	0.7
203.17976	0.6
205.04935	5.2
207.06451	0.4
211.05891	0.6
213.05405	2.0
215.03473	0.5
215.07076	0.6
217.04945	7.2
219.03180	0.3
219.06537	1.5
221.04393	1.1
223.06029	1.0
225.05518	0.6
227.07086	1.0
229.04877	2.2
231.06538	2.5
233.04555	0.9
235.05968	3.6
237.05452	0.6
241.04935	2.6
243.06499	1.6
245.08197	0.5
247.05983	4.1
249.11159	1.5
251.07004	0.6
251.09242	0.4
253.04918	0.7
254.05507	0.4
255.06427	2.1
257.04486	0.8
259.06006	8.4
261.07614	0.4
267.06625	0.5
269.04462	0.6
269.08078	0.7
271.05972	2.8
273.07571	2.3
277.07007	2.5
279.06540	0.8
283.05991	4.1
285.04233	0.4
285.07547	1.2
287.05466	0.6
289.06973	1.5
293.08102	0.5
295.05981	0.7
297.07703	1.7
299.05594	0.7
299.08981	0.7
301.07001	6.2
307.05786	0.3
311.05688	0.4
311.09113	1.3
313.07059	1.6
315.08597	0.5
317.10220	1.0
319.08243	0.8
321.07651	0.3
323.09186	1.1
325.07120	2.8
329.10199	1.7
337.06964	0.5
339.08673	0.5
341.06500	0.5
341.10217	4.8
343.08215	1.5
345.05942	0.4
349.07019	0.3
353.10281	2.3
355.08105	0.5
359.11340	1.5
361.09256	0.5
363.07169	0.5
365.10159	3.9
367.08139	0.9
377.10153	1.7
383.11194	5.9
389.10269	2.1
395.11243	4.1
403.11572	0.5
405.09442	0.3
407.11212	9.0
413.11859	0.5
419.11209	2.4
425.12222	3.5
429.08270	0.3
431.11212	3.8
437.12323	0.3
443.13397	2.2
447.09155	0.5
449.12265	5.7
450.12509	0.5
455.11105	0.4
461.13229	2.9
467.13260	1.7
473.12057	1.4
481.10788	0.4
485.14478	2.0
487.12283	0.4
491.13425	2.7
493.11087	0.5
499.12027	0.6
509.14514	2.2
511.12262	0.7
517.13403	3.3
527.15430	2.2
529.13379	1.4
535.12244	0.8
547.13409	0.4
553.13306	0.9
565.13489	1.6
571.14246	1.2
577.13055	0.9
583.14709	2.0
595.14185	1.6
613.15320	1.3
631.16211	1.0
641.28748	0.3
649.17737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89205	9.8
67.05824	8.4
71.46732	9.2
79.03020	8.8
81.12144	9.1
102.34884	9.6
150.38222	9.1
172.85327	9.1
201.55913	9.3
365.00003	9.0
685.33411	100.0
686.33185	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	685.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44117	0.1
73.04729	0.1
74.61038	0.1
89.18457	0.1
91.05786	0.2
146.57710	0.1
176.15335	0.1
219.74318	0.1
226.19904	0.1
298.75967	0.1
430.09018	0.2
442.82010	0.2
614.30524	0.2
685.39191	100.0
686.39551	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	686.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01866	0.6
56.48994	0.2
57.03430	0.6
61.02917	0.3
69.03439	2.9
69.56264	0.9
71.04977	0.5
73.02911	0.4
79.05479	0.3
81.03418	2.3
85.02908	4.8
87.00832	2.1
91.05485	0.9
95.04978	0.4
97.02895	2.6
99.04449	0.9
105.01881	1.1
105.07025	0.6
107.04942	0.9
109.02882	2.0
111.04394	0.2
115.03927	0.6
115.05470	0.9
116.06213	0.3
117.07001	0.8
124.03906	0.3
126.05511	0.3
127.03920	3.5
128.06206	2.0
129.07001	4.3
131.04935	0.5
131.08562	5.4
133.04965	0.3
133.06482	0.8
133.10153	0.3
141.06969	2.1
142.07764	0.2
143.08559	1.2
144.05701	1.9
145.04974	1.2
145.06487	2.2
145.10187	0.4
146.07236	0.8
147.04367	0.4
153.06972	0.6
155.06012	0.5
156.05620	0.4
157.06519	2.9
158.07278	0.8
159.02863	0.9
159.08060	10.1
161.04547	0.5
161.05971	0.7
161.09619	2.8
163.03973	0.3
167.07028	1.8
169.06454	0.5
169.07710	1.3
170.07297	1.8
171.08054	1.9
172.05156	0.7
173.05923	1.3
173.09630	0.6
174.06743	0.8
175.07550	1.0
177.05489	0.4
178.06248	0.3
181.08664	0.4
184.05234	0.3
185.05833	0.3
186.06738	0.4
187.07541	8.5
188.08203	0.7
189.05475	0.5
189.09093	4.0
190.06262	0.6
190.09454	0.3
191.06960	0.4
192.07832	0.7
193.08617	0.8
198.06729	0.6
199.07526	1.2
201.05461	0.5
201.09100	1.3
203.07071	0.9
204.07803	4.4
205.08511	0.9
206.09340	0.5
216.07878	1.3
217.08536	1.1
218.09343	0.5
219.10179	3.7
221.08154	0.6
221.11702	1.9
231.05023	0.7
231.10175	3.5
233.11726	9.1
234.08783	0.3
237.11177	0.8
247.04498	0.4
247.09718	0.3
249.11212	100.0
250.11568	3.4
251.12794	3.8
267.12283	4.6
299.37781	0.2
385.16422	0.3
401.15677	0.3
413.15524	0.2
461.14032	0.2
497.16525	3.3
564.34900	0.2
693.87292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62858	0.4
55.05511	5.1
55.83509	0.5
57.03443	3.9
57.07076	36.9
58.07404	0.6
59.12697	0.4
59.15306	0.5
61.02927	13.1
67.05506	11.5
69.03423	1.5
69.07066	5.0
69.10023	0.5
70.61998	0.8
71.04987	0.7
71.08633	28.1
73.02899	3.7
73.04758	0.6
75.04484	2.4
79.05463	1.0
81.03422	1.0
81.07059	13.7
83.08624	10.8
85.02906	16.9
85.06551	0.5
85.10180	16.6
86.09711	1.6
89.06033	0.9
91.03389	0.6
91.03958	12.5
91.05475	0.6
92.22265	0.5
93.07038	0.9
95.08604	22.9
97.02886	7.9
97.10170	9.0
99.04468	0.8
99.11748	1.1
103.07558	0.7
109.02908	0.9
109.10154	11.8
111.11719	2.2
113.13335	0.5
115.03944	0.9
121.10098	0.5
123.11708	5.0
124.99994	1.3
125.13307	0.6
127.03910	6.2
137.13248	2.8
138.23413	0.5
141.16473	0.5
145.04956	7.1
149.02367	0.6
151.14824	1.2
163.06015	12.7
165.16348	0.6
173.11754	0.6
184.07335	4.0
229.14357	1.0
235.24213	1.2
253.25258	20.7
254.25705	0.7
271.26367	4.7
313.27298	0.8
327.28928	100.0
328.29193	3.6
335.25937	1.2
345.29990	46.4
346.30313	1.5
361.02408	0.5
430.08847	0.7
489.34875	1.1
521.87665	0.5
686.38922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62134	2.1
55.05508	16.2
57.03427	11.2
57.07056	2.9
59.04994	6.0
61.02921	4.6
62.60460	1.9
64.45245	1.8
67.05504	100.0
69.07060	9.7
70.15781	5.2
70.42567	1.9
71.04995	2.6
73.02892	2.3
79.05494	20.8
81.07057	38.8
83.04948	1.8
83.08619	7.6
85.02879	4.0
85.06571	2.4
91.03938	2.0
91.05457	13.9
93.07044	27.0
95.04978	3.8
95.08602	30.1
97.02852	2.8
98.23332	2.3
99.08038	2.5
105.07051	10.6
107.08591	15.8
108.80383	1.8
109.10153	76.8
110.10473	3.0
111.08070	3.5
117.07032	2.3
119.08575	11.1
121.10162	11.5
123.11718	5.6
129.47705	2.1
131.08553	8.0
133.10114	5.0
135.11684	9.2
137.09628	5.6
145.10175	3.6
147.11739	3.4
149.13266	3.8
155.10648	4.9
159.11650	2.4
161.13210	3.1
163.14749	3.2
173.11754	18.4
173.13158	3.5
179.49608	2.2
227.12822	6.7
229.14333	91.1
230.14691	3.6
243.21188	3.7
261.22153	17.1
317.24805	3.1
335.25830	74.7
336.26089	4.2
489.35767	62.2
490.36215	3.0
507.36502	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07636	0.6
53.03959	1.2
55.05509	10.7
57.03432	12.9
57.07079	1.7
59.05008	4.0
61.02925	5.0
65.03942	2.5
65.21491	0.6
67.05502	100.0
68.05834	1.2
69.03423	1.6
69.07062	6.9
69.42555	2.6
71.04983	4.0
71.15419	0.7
73.02908	1.1
77.03919	0.9
79.05487	17.1
79.60429	0.6
81.03422	0.9
81.07054	34.9
82.71027	0.6
83.04974	1.0
83.08621	8.5
85.02899	4.7
85.06532	3.8
91.03960	2.4
91.05474	13.4
91.91212	0.6
93.07042	23.1
95.04971	2.0
95.08604	26.0
95.09218	1.3
97.02888	2.0
97.06530	1.2
97.10173	1.5
99.08069	0.9
105.04528	1.2
105.07039	6.8
107.08588	13.6
107.09262	1.1
109.06561	1.2
109.10151	82.7
110.10490	1.6
111.08099	3.5
113.24018	0.6
116.02354	0.5
117.07018	2.4
119.08566	9.4
121.10135	10.2
123.08024	0.6
123.11674	3.1
125.09626	1.3
131.08565	5.1
133.10120	5.1
135.11687	6.9
137.09622	3.8
137.13248	1.3
145.10123	3.5
147.11717	3.1
149.13266	4.5
155.10652	9.1
159.11748	2.9
161.13283	1.7
163.14804	2.5
171.11656	0.6
173.11755	15.5
173.13263	2.8
175.14845	0.9
177.16423	0.7
187.14787	1.4
189.11087	0.8
195.21852	0.6
227.12793	5.2
227.89293	0.6
229.14333	88.9
230.14674	3.5
237.11597	0.6
243.21074	5.1
261.22110	15.5
299.24014	0.6
317.24780	3.1
335.25787	60.5
336.26141	3.6
379.29712	0.8
397.30716	0.9
415.32022	1.4
471.34320	1.0
489.35718	34.6
490.35931	2.8
507.36859	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	687.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16652	0.2
52.40245	0.2
57.28952	0.2
62.22621	0.3
69.74313	0.9
87.03179	0.2
98.22683	0.4
114.40833	0.3
177.01653	0.7
185.04242	1.7
192.03928	11.4
193.04730	4.2
268.21170	0.3
324.08038	1.9
355.09979	100.0
356.10309	3.1
401.76917	0.3
595.26373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
53.36550	0.1
55.01862	0.3
57.03428	0.4
65.03927	1.5
65.26925	0.1
67.05506	1.2
69.03423	0.5
69.07096	0.2
71.01334	0.2
73.02925	0.3
77.03905	0.3
79.05478	0.5
79.61842	0.1
81.03415	0.5
82.04205	1.3
83.35296	0.1
85.02905	2.2
91.05480	0.2
93.03418	1.2
95.04988	0.9
97.02898	0.4
97.06523	0.7
98.73463	0.1
103.03937	0.3
105.03418	0.2
107.04942	0.3
108.02103	0.2
110.03654	1.5
111.04467	0.4
119.04960	0.5
120.02048	0.1
121.02855	0.4
123.00772	0.3
125.05984	2.4
131.04932	0.2
133.02864	0.5
137.02342	0.5
137.05959	1.0
138.03108	3.7
139.03857	0.3
140.04675	0.6
147.04399	0.5
149.02336	0.6
149.05981	0.2
150.03113	1.0
151.03842	0.3
153.05475	0.6
155.07059	0.3
159.04359	0.4
162.03070	0.2
163.03871	0.4
165.05458	0.3
166.02600	1.1
167.07063	0.7
170.02101	0.4
171.06531	8.2
175.03920	0.6
176.04686	0.2
177.01826	2.7
177.05463	0.6
179.03297	0.3
179.07106	0.2
181.04950	100.0
182.05296	2.4
187.03947	0.5
190.02490	0.2
191.03392	1.5
191.06973	0.2
193.04927	0.5
193.08643	0.2
193.96503	0.1
194.02097	2.1
195.02867	0.5
195.06520	0.2
197.04440	0.6
199.04076	0.2
199.06012	0.4
201.05464	0.2
204.04158	0.4
205.04976	1.6
207.02904	0.2
207.06544	0.5
207.14320	0.2
209.04448	25.3
210.04794	0.8
211.11069	0.1
215.03392	0.4
216.04091	0.2
217.04793	0.2
219.03011	0.2
219.06491	0.5
221.04501	0.8
221.06342	0.1
223.02414	0.2
223.06059	0.9
231.02954	0.2
232.03609	0.1
233.04454	1.5
235.06143	0.2
241.07037	1.5
243.02823	0.2
245.04347	0.2
247.05975	1.2
251.05499	2.6
257.04422	0.4
260.03152	0.4
263.05511	1.2
265.07120	0.5
269.10147	0.4
273.11121	0.2
275.05499	2.7
281.06549	0.3
283.08102	1.8
293.06522	3.0
297.09683	2.1
311.07678	1.0
330.65521	0.2
336.20615	0.1
397.16504	0.5
408.98438	0.1
473.12198	0.3
491.11902	0.4
494.18979	0.2
509.12991	2.6
602.68616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88292	0.5
57.45971	0.5
58.06598	5.2
65.03928	1.6
69.15142	2.0
69.15546	1.0
72.04504	1.8
72.08156	7.1
79.05484	1.2
81.07048	1.7
84.08145	4.2
85.02917	0.8
91.04938	0.8
91.05475	11.1
93.03355	0.5
94.04169	2.1
95.04955	1.3
100.07613	3.0
103.05453	2.9
105.07030	0.8
107.04957	1.5
109.06525	5.2
112.11244	6.1
114.09165	17.8
115.05439	1.9
117.03329	0.6
117.06975	0.7
118.04163	0.6
119.04940	21.4
121.06455	0.6
122.03640	5.8
125.05968	0.8
129.13812	0.7
131.04948	6.1
131.11778	1.9
133.02881	1.0
133.06499	1.0
137.05969	70.7
138.06310	2.0
143.11771	2.3
145.02844	1.5
145.06458	1.0
147.04401	100.0
148.04671	2.5
149.05933	1.3
151.03905	18.0
151.04955	0.8
151.07518	0.8
152.04216	0.7
155.11777	1.0
160.05183	2.1
161.05968	1.9
163.07524	4.8
165.05415	0.7
167.07027	2.3
170.16519	1.6
171.14914	18.5
175.07498	4.0
176.01619	0.5
177.05460	3.3
179.06985	1.2
181.04918	3.4
183.27681	0.5
187.07550	1.1
188.04718	0.6
188.17578	32.7
189.07024	0.6
191.05280	1.3
191.07014	23.5
192.07291	0.9
193.03160	2.9
201.05455	2.4
203.06993	1.5
204.10190	50.1
205.08545	1.0
205.10513	1.5
207.10147	0.6
209.08093	0.9
214.15581	0.7
219.08054	0.9
231.06528	6.3
234.06720	1.1
235.09621	0.5
237.09096	0.6
249.09009	0.9
251.07111	0.5
258.11267	0.6
262.06235	0.8
263.06763	1.0
263.09140	4.5
265.08603	1.0
266.09122	0.7
277.08600	4.6
279.10242	0.5
283.09369	1.0
293.07959	0.8
294.08890	1.3
295.09616	1.6
305.07993	1.5
307.09573	0.8
309.11215	1.7
316.20251	1.0
317.18588	19.5
318.18909	0.6
322.08228	1.0
325.10641	1.5
327.12222	0.6
334.21225	97.0
335.21594	4.7
337.10693	3.8
339.12671	0.7
355.11792	5.9
369.13272	0.7
387.14346	7.3
388.14795	0.6
394.16324	1.2
412.17435	4.4
456.67545	0.6
517.18231	0.6
524.27386	6.1
542.20575	1.1
542.28589	19.1
543.29059	1.4
558.21368	1.6
584.26941	0.9
615.69714	0.6
670.31195	1.9
688.32349	14.7
689.32269	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50551	1.2
71.44613	2.2
72.08154	2.1
84.08138	1.6
91.05487	7.5
93.86536	1.5
105.07024	1.5
113.10729	2.0
114.09183	4.7
117.07095	1.5
119.04922	10.3
122.03697	2.8
137.05984	49.4
138.06306	1.4
145.02844	4.4
147.04407	34.2
151.03931	7.0
155.11794	3.4
161.06001	6.2
162.06783	2.3
163.20984	1.3
171.14920	4.0
172.14499	2.1
173.05980	3.7
176.59506	1.4
177.05507	5.4
188.17595	5.1
189.06950	1.3
201.05461	43.7
202.05894	2.1
202.07661	1.5
204.10298	2.6
205.06468	4.5
206.07233	3.0
213.05496	3.3
214.15529	9.5
219.08044	1.8
231.06450	1.6
233.05928	2.9
234.06737	11.1
235.07568	5.0
245.05933	2.0
246.06702	1.7
249.09145	6.7
251.07164	1.7
261.05554	1.4
262.06299	13.9
262.10205	1.3
263.07083	2.0
265.08630	5.2
266.09433	1.6
273.05432	3.0
274.06326	2.1
276.07898	1.9
277.08560	21.7
277.11423	2.0
279.06485	2.3
287.06891	3.2
290.05728	24.2
291.09793	2.2
292.07141	1.8
293.08044	4.9
294.08719	4.0
295.09683	3.6
304.07016	3.2
305.08054	51.3
306.08640	3.4
307.06198	2.8
307.09637	7.7
309.11169	3.9
310.66003	1.4
316.20206	4.9
317.18582	3.1
319.09756	5.2
322.08359	5.1
325.10648	11.5
334.21210	9.0
337.10687	62.2
338.10962	3.2
355.11795	10.0
360.19067	2.1
382.16541	2.6
394.16489	6.0
412.17465	11.8
462.12024	1.5
494.26297	4.7
506.26605	1.8
512.27362	7.3
524.27594	40.7
525.27905	4.0
539.60248	1.9
542.28607	100.0
543.28503	6.4
688.32489	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	688.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03933	3.7
53.98924	1.2
55.01854	4.8
55.05260	1.4
55.05510	21.8
57.03432	11.0
57.54821	1.1
60.35675	1.2
61.02909	2.4
65.03928	3.5
67.05500	47.1
69.03410	3.2
69.07063	11.0
71.04981	4.1
76.83161	1.1
77.03923	2.6
77.53031	0.9
79.05489	70.2
80.05817	1.0
81.03416	56.0
81.07056	45.5
82.07365	1.1
83.04524	1.7
83.04979	19.4
83.08617	22.1
85.02909	15.2
85.06533	2.6
86.14548	1.1
87.04429	1.1
91.05475	63.3
93.07043	62.5
95.04967	36.2
95.08601	26.3
97.02872	3.8
97.06519	5.8
97.10175	7.5
99.08121	2.4
103.05454	1.2
105.04506	4.3
105.07024	46.2
105.07735	2.2
107.04943	9.9
107.08591	17.7
109.02853	1.3
109.06538	6.4
109.10133	5.4
111.04414	1.8
111.08070	8.0
115.05463	1.4
117.07005	10.9
119.08574	28.3
121.06458	4.6
121.10128	9.2
123.08073	5.6
123.11663	1.5
125.09621	4.2
127.07568	1.5
128.06204	1.5
129.07001	20.8
131.08554	9.8
133.06508	2.7
133.10126	16.3
135.11714	3.4
137.09595	1.6
137.13242	1.2
142.07793	2.3
143.08556	8.0
145.10138	11.6
147.08047	4.1
147.11684	41.1
149.09607	5.0
157.10136	12.8
159.11592	1.5
161.09592	3.2
161.13246	7.0
163.11182	2.3
165.12726	2.0
171.11691	20.4
175.11189	9.8
189.12709	8.1
193.12247	26.9
197.72858	1.1
203.12773	1.3
207.13786	26.1
211.13272	30.4
215.14252	1.9
225.14891	1.8
258.37311	1.4
267.15900	32.1
267.18750	1.9
281.17465	100.0
282.17810	4.4
285.16946	30.5
367.22488	1.2
376.00726	1.1
473.28967	94.9
474.29129	4.9
491.30017	94.3
492.30646	6.7
631.01758	1.2
670.77136	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.4
53.03939	3.0
55.01862	3.9
55.05509	17.7
57.03435	7.9
61.02931	2.4
67.05500	36.2
69.03430	3.2
69.07058	7.5
71.04993	3.2
79.05489	51.4
81.03416	42.7
81.07053	37.2
83.04976	15.8
83.08620	19.6
84.58413	1.1
85.02899	11.8
85.06559	2.9
87.04489	1.6
91.05471	46.1
92.05824	1.6
93.07041	46.2
95.04969	27.8
95.05538	2.5
95.08604	20.8
97.02883	4.1
97.06538	5.6
97.10180	4.2
99.08089	1.4
105.04494	1.5
105.07027	30.4
107.04916	6.5
107.08585	15.6
109.06512	6.7
109.10165	4.3
111.04449	1.9
111.08050	8.0
117.07040	5.6
119.04906	1.5
119.08578	25.4
121.06506	2.6
121.10159	8.7
123.08078	5.1
125.09672	1.7
128.06178	1.4
129.07004	18.4
131.08559	9.6
133.06496	3.6
133.10139	13.7
135.08069	1.8
135.11697	2.8
137.09587	2.7
142.07704	1.6
142.61537	1.2
143.08563	5.2
145.10129	7.8
147.08006	2.8
147.11688	28.2
149.09615	3.1
151.11168	2.7
157.10159	9.9
161.09627	2.7
161.13246	6.5
163.11252	1.9
165.12781	3.0
171.11674	16.2
175.11208	8.2
189.12703	7.6
193.12236	26.4
207.13815	14.8
208.20317	1.3
211.13269	22.3
227.12746	2.2
253.14517	1.5
267.15909	25.0
281.17474	67.1
282.17862	3.7
285.16919	19.6
400.26257	1.5
473.28937	94.5
474.29144	6.4
491.30042	100.0
492.30139	7.9
497.94055	1.5
635.34070	2.2
689.30310	1.9
708.42664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27714	4.9
55.05516	16.6
57.03446	14.3
57.07080	8.3
67.05504	100.0
69.07074	16.9
69.59465	14.5
79.05491	9.8
81.07056	48.7
81.67023	5.0
83.08616	13.5
91.05487	10.5
93.07037	13.1
95.08599	29.7
98.23384	10.5
107.08549	9.4
109.10157	79.0
119.08624	6.9
173.11734	14.5
229.14368	83.4
337.27255	56.5
373.03809	5.6
400.33063	5.1
491.37109	51.2
492.38196	6.2
573.48810	7.6
614.90033	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	688.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20737	3.3
52.39564	3.1
55.05513	16.9
57.03440	12.8
57.07080	4.2
59.04992	4.0
67.05508	100.0
67.06057	4.8
68.58611	3.4
69.07072	17.9
70.10619	9.0
70.52729	3.1
71.05005	4.1
72.57961	3.7
79.05497	6.4
79.51691	3.7
81.07056	41.5
81.56202	3.5
83.08615	11.1
85.06564	4.5
91.05499	10.2
93.07030	8.8
95.08600	28.8
97.10178	5.4
97.29265	3.8
99.08114	3.9
107.08590	5.7
109.10165	83.8
119.08615	8.3
121.10166	4.6
123.11703	5.7
133.10059	4.1
137.09663	3.9
155.10658	4.8
161.13235	3.7
173.11769	20.9
180.83147	3.2
211.28267	3.7
229.12209	7.4
229.14366	95.1
263.23734	5.9
337.27399	58.3
338.27695	4.5
386.18726	3.8
433.63010	5.0
491.37296	54.5
688.37158	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	689.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
57.03449	1.4
61.02921	2.4
67.05502	3.0
69.03423	1.6
69.07086	1.0
69.45779	1.4
69.46160	2.2
71.23069	0.7
73.02918	2.8
79.05508	4.6
81.03412	2.3
81.07045	4.5
81.65343	0.8
83.04996	0.8
83.08631	0.9
85.02896	4.0
91.03959	2.4
91.05462	4.6
93.07041	5.1
95.04967	2.1
95.08614	2.6
97.02917	2.6
98.23408	1.6
100.11209	0.8
101.02370	1.1
103.69241	0.8
105.07048	3.3
107.08609	1.1
109.06629	0.8
109.10148	0.7
110.78058	0.7
112.53007	0.7
117.06995	0.8
119.08578	2.5
127.03954	0.8
133.10178	1.2
136.76141	0.9
147.11703	3.0
161.13301	1.2
171.11758	2.4
203.05359	0.9
243.08455	1.9
243.54498	0.9
247.13107	2.2
281.17828	0.8
290.81799	0.8
303.15591	1.2
389.21750	0.8
465.20969	14.0
465.26981	1.0
688.54700	2.5
689.35034	100.0
690.35480	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	689.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
55.62081	1.0
57.03421	1.0
59.59506	1.0
60.62226	0.9
61.02936	2.1
67.05509	3.3
69.03414	1.9
70.27423	1.6
70.27750	1.1
73.02915	1.7
79.05499	4.7
81.07072	2.9
83.04964	1.8
85.02899	2.6
86.79565	1.1
91.05492	3.9
93.07049	3.1
95.04944	1.4
95.08606	2.0
97.02870	1.3
105.07028	2.9
107.08607	1.4
119.08594	1.5
136.33853	1.1
145.10104	1.2
147.11717	1.9
171.11731	2.0
222.52255	1.1
243.02002	1.0
243.08484	1.9
247.13019	2.3
312.28143	1.1
465.20895	10.9
466.20993	1.2
590.90680	1.1
689.34998	100.0
690.35461	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	690.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.11589	0.6
54.40444	0.6
55.01870	2.0
55.05513	6.8
56.37993	0.7
56.39753	0.6
57.03435	4.4
61.02929	3.0
65.03945	0.8
65.10210	0.6
67.05505	24.5
67.05866	1.4
69.03426	2.1
69.07059	4.7
70.43183	0.6
71.04995	10.9
73.02903	0.9
73.05718	0.6
78.87807	0.6
79.05495	11.9
81.03417	25.1
81.07057	36.5
83.04972	3.0
83.08617	7.9
84.35397	0.8
85.02915	1.9
85.06549	4.6
91.03938	0.9
91.05479	14.1
91.85024	0.6
93.07050	11.1
95.04974	12.7
95.08623	5.1
97.02900	2.2
97.06531	2.6
97.10166	3.7
97.15342	0.7
98.22707	1.6
99.08114	0.6
101.78922	0.6
105.07027	9.2
107.04964	8.3
107.08596	7.8
109.06520	6.0
109.10152	5.3
111.04470	0.9
111.08060	3.0
115.05446	1.1
117.07027	3.2
119.05024	0.8
119.08589	5.5
121.06494	5.0
121.10131	5.5
123.08047	1.9
123.11714	5.1
124.31938	0.6
125.09631	2.6
129.07011	3.7
131.04927	0.6
131.08562	7.6
133.06520	2.0
133.10139	10.3
134.48839	0.6
135.08066	1.8
135.11687	2.3
137.09596	1.6
141.06960	0.6
143.08589	1.0
143.16776	0.6
145.06425	1.8
145.10132	2.5
147.08052	2.9
147.11690	4.0
147.12737	0.7
149.09612	2.9
149.13264	1.8
151.11191	2.9
153.09065	0.7
155.08533	1.0
157.10120	3.8
159.11684	2.0
161.09673	1.2
163.11212	2.2
169.10170	1.3
171.08008	0.9
171.11731	1.0
173.13266	2.2
175.11206	3.3
177.12759	1.7
181.10196	0.7
183.11685	0.7
183.13821	0.9
184.07335	0.7
187.11298	0.7
187.13269	1.3
189.11223	1.9
189.12802	0.8
191.14322	1.2
193.12199	5.5
195.13815	0.9
201.12912	0.9
205.12263	1.5
217.15901	1.3
219.13820	2.5
225.05490	0.7
231.13597	0.9
249.14751	1.5
256.26392	1.3
257.17419	0.9
267.15918	14.0
268.16177	0.8
269.17633	1.9
273.14862	0.8
273.18463	0.8
275.16486	1.0
297.01599	0.8
301.20093	9.1
315.23355	1.0
325.21677	1.7
343.22687	6.0
351.18488	1.2
351.23218	0.9
369.24136	2.1
371.25696	0.9
387.25119	1.1
407.26053	0.9
417.26355	6.8
425.26959	2.5
435.27429	30.3
436.27780	1.4
443.22910	0.9
443.28000	9.2
461.28967	100.0
462.29205	4.7
475.31168	0.8
477.27997	0.9
493.31650	10.1
494.31445	1.1
555.01984	0.6
620.40491	0.7
690.35895	1.4
691.35803	1.0
694.39337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	17.1
55.27509	1.1
57.03177	1.9
57.03433	14.1
57.07078	8.9
59.04995	6.2
61.02927	5.8
62.74999	1.1
65.03942	1.4
67.05505	86.9
69.07069	20.7
69.24254	2.6
69.24653	6.7
71.04996	3.6
71.08625	4.1
73.84811	1.2
79.05501	4.9
81.07056	19.5
83.08620	15.7
85.02896	3.8
85.06544	2.6
85.10198	1.9
86.09772	1.3
91.03970	2.6
91.05468	6.3
93.07040	7.9
95.08599	19.6
97.02894	3.6
97.06543	1.9
97.10167	9.2
98.22712	3.1
107.08607	4.0
109.10153	71.1
111.08070	4.2
111.11751	2.0
119.08585	4.6
121.10147	6.0
123.11678	2.7
130.81332	1.2
135.11694	5.4
136.93428	1.3
137.09639	4.2
149.13280	2.1
151.32419	1.3
155.10622	5.8
173.11754	13.9
184.07381	3.1
215.83372	1.2
229.14346	100.0
230.14632	3.3
247.24132	1.3
265.25281	1.4
266.03320	1.4
339.28931	70.5
340.29135	3.9
493.38849	59.9
494.38943	3.0
500.71948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3871
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
61.02939	0.2
67.05502	0.9
73.02943	0.3
79.05494	0.5
81.07056	0.6
91.05512	0.3
93.07049	0.5
97.02872	0.2
105.07011	0.5
107.08578	0.4
109.10184	0.3
119.08582	0.3
121.10213	0.2
121.63184	0.2
133.10185	0.2
137.09654	0.2
185.04286	0.9
249.95036	0.2
259.08011	0.7
274.58167	0.2
299.82108	0.2
347.09476	1.1
429.58441	0.3
529.33423	23.9
530.33820	2.0
565.67175	0.3
691.38727	100.0
692.39026	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	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25467	0.3
53.03955	0.5
55.05512	0.6
57.03440	1.6
58.31660	0.3
61.02926	3.9
65.20596	0.3
67.05504	5.4
69.03438	2.1
69.07086	0.4
72.32111	0.2
73.02916	2.9
74.99678	0.3
79.05491	1.6
81.03427	1.1
81.07054	3.3
85.02906	3.9
91.03963	2.2
91.05489	1.2
93.07061	1.7
95.08587	1.9
97.02890	3.5
98.23444	0.6
99.04435	0.5
101.02395	1.2
101.37675	0.3
103.03922	0.4
105.07079	0.5
107.08615	1.1
109.02857	0.4
109.10173	3.4
119.08600	0.9
121.10181	1.0
127.03962	1.0
131.08524	0.4
133.10141	0.5
135.11760	0.4
145.10126	0.5
156.41600	0.3
172.13705	0.3
185.04260	0.6
189.65282	0.2
195.10017	0.7
203.05289	0.4
233.51561	0.3
243.08391	1.4
335.25729	0.5
413.17819	3.4
434.55206	0.3
519.29285	6.4
519.36432	0.5
520.29742	0.4
521.27795	0.3
651.38293	0.3
691.40253	100.0
692.40527	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	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	0.9
57.03431	1.3
61.02929	4.4
62.75270	0.8
67.05519	6.8
69.03423	4.1
69.07074	1.9
69.41730	1.3
69.42161	3.4
73.02921	2.7
79.05505	1.0
81.03413	1.5
81.07060	4.2
85.02891	4.9
91.03960	2.2
91.05498	1.1
93.07075	1.7
95.08607	2.8
97.02891	4.1
101.02391	1.1
107.08617	1.9
109.10159	7.6
115.26341	1.0
117.07023	1.0
119.08594	1.8
121.10131	1.6
127.03893	1.3
150.86966	0.8
173.11746	1.7
195.10017	1.2
205.23328	0.9
208.02472	0.8
229.14502	1.5
243.08459	2.0
413.17978	10.8
519.29059	5.1
529.38416	0.9
630.33929	1.0
691.40240	100.0
692.40704	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48072	0.3
50.80052	0.3
51.34521	0.3
53.54606	0.3
54.19423	0.4
55.05507	1.2
57.03439	1.8
57.07085	0.4
61.02928	4.7
64.36836	0.4
67.05502	7.2
69.03431	3.0
69.07088	0.5
71.44068	0.4
73.02917	3.7
79.05501	2.9
81.03425	1.3
81.07055	3.9
83.08624	0.7
85.02901	5.7
87.04467	0.6
91.03961	3.8
91.05484	1.6
93.07038	3.0
95.04980	0.5
95.08612	3.0
97.02891	4.1
99.04471	0.8
101.02393	1.4
103.03986	0.4
105.07039	1.2
107.08598	1.1
109.02887	0.5
109.10145	6.3
115.03959	0.5
119.08595	0.9
121.10161	1.5
123.91180	0.4
127.03939	1.3
131.08565	0.7
133.10109	0.6
135.11771	0.6
149.13373	0.4
159.11783	0.4
173.11787	1.4
185.44704	0.4
195.09991	1.1
195.99959	0.3
229.14322	0.8
238.10130	0.4
243.08527	1.5
261.22372	0.4
305.19931	0.4
335.25919	0.5
354.63666	0.4
357.12393	0.4
413.17789	5.5
519.29346	6.6
691.40228	100.0
692.40582	9.7
698.26257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51765	0.5
55.05497	0.7
59.04979	0.7
65.03918	0.9
67.05492	2.4
70.73545	0.7
77.03927	0.4
79.05472	0.9
81.03405	0.6
85.02898	1.0
87.04462	2.6
89.03895	1.4
89.95669	0.5
91.05458	3.6
95.05000	1.0
97.02867	0.5
99.39130	0.5
102.04647	1.3
103.05442	1.1
105.07027	3.1
107.04874	0.7
108.02107	0.6
109.02729	0.5
109.10131	2.0
111.04455	0.6
115.05417	0.8
117.03352	1.6
119.04943	4.0
121.02863	0.6
121.03981	0.5
121.06496	0.7
123.04425	0.5
125.05945	0.6
130.04092	1.6
131.04915	0.4
131.21614	0.5
132.79955	0.4
133.02831	0.8
133.06456	2.7
134.03607	1.3
135.04416	2.6
135.08060	0.5
137.05965	6.8
141.05464	0.8
147.04395	7.1
148.04860	0.5
149.02277	0.8
149.05988	8.1
150.03104	2.0
151.03899	53.9
151.04976	4.3
152.04240	1.1
152.06224	1.2
153.06964	1.1
155.10454	0.6
158.28098	0.5
159.04575	0.5
161.05971	9.4
162.06752	7.8
163.03912	2.0
165.05489	1.0
165.06976	0.8
168.05621	2.5
169.06461	1.0
173.11748	0.8
175.03839	1.3
177.01843	3.7
177.05455	2.6
177.06769	0.5
179.04807	0.9
179.07047	1.5
180.05704	2.4
181.04927	2.8
181.06387	1.1
182.07381	0.4
183.08046	3.2
185.05968	1.6
191.03276	1.0
191.04855	1.0
193.04926	1.1
193.06488	1.0
194.02084	3.4
195.02855	0.7
195.08032	1.5
196.05170	5.2
197.05933	3.9
199.03851	0.6
199.07556	1.1
200.08406	0.6
201.05440	0.6
205.04979	1.8
207.04454	0.6
208.05206	3.6
209.04413	29.2
210.04788	1.1
210.06683	0.6
211.07549	11.2
212.08243	2.8
213.05531	3.0
214.06233	1.1
219.04391	1.2
223.07474	1.9
224.04688	0.8
225.05434	3.5
227.06956	0.8
228.07838	3.3
229.14372	4.2
233.04385	0.6
236.04756	3.8
237.05501	0.8
239.06961	4.0
240.07788	7.2
241.04938	1.3
241.08463	0.5
242.09248	0.7
243.10193	1.5
247.05933	0.9
251.07259	4.6
252.07628	0.8
253.04919	2.3
255.06561	0.8
256.07364	2.8
267.06567	1.3
268.07306	5.7
269.07898	0.5
271.09543	2.4
275.05411	1.4
279.06509	3.3
280.07013	0.6
283.09634	10.6
284.09802	0.5
285.07498	2.5
296.06714	1.1
297.07260	0.5
299.09116	99.5
300.06470	0.8
300.09412	4.6
301.10794	0.7
311.09103	32.7
312.09460	2.2
315.08524	5.0
329.10159	100.0
330.10507	5.1
347.11240	1.5
401.12186	0.8
492.99255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
67.05509	4.2
69.03426	1.3
69.07092	0.7
69.59834	1.7
71.04987	2.0
79.05492	5.0
81.07056	7.3
83.01348	3.5
83.08614	0.6
85.02897	4.6
91.05479	3.9
93.07044	5.5
95.04982	0.9
95.08607	4.2
97.02911	1.6
97.06570	0.7
105.07041	2.1
107.04971	2.2
107.08632	3.1
109.06515	2.4
109.10175	1.4
111.08140	0.7
114.69839	0.6
117.07041	1.6
119.08570	1.2
121.06506	2.8
121.10148	1.7
123.08105	0.6
125.05969	1.3
131.08578	3.5
135.08029	3.1
137.05977	65.8
138.06377	1.4
139.07646	1.0
143.08585	0.8
145.10141	1.1
147.07806	0.8
147.11646	1.1
149.05992	0.7
149.09633	6.2
151.07567	2.0
159.08061	1.8
159.11743	0.7
161.05986	10.4
162.06589	1.0
163.07536	32.8
163.11214	1.1
164.07846	1.5
173.09731	1.1
173.13319	1.5
174.06799	1.4
175.07574	6.6
176.08257	0.8
177.09105	70.2
178.09477	2.4
187.07567	4.1
187.11148	1.0
189.09093	3.5
191.10660	14.8
200.08376	0.8
201.09108	6.6
201.13071	0.6
203.07121	3.2
203.09082	0.7
203.10658	4.7
205.12276	2.4
206.69901	0.7
214.09810	0.7
215.10667	7.8
217.12250	5.6
219.10081	1.4
227.06966	1.8
227.10658	0.8
229.12131	4.1
231.13814	2.8
237.11110	0.9
241.12309	1.3
241.19595	1.1
243.10197	2.3
251.12726	0.9
267.10181	1.3
269.18979	2.9
287.20105	1.2
297.18475	6.0
315.19547	29.5
316.19913	1.3
333.20605	100.0
334.20972	7.4
336.59415	0.7
339.19608	1.7
351.17719	0.8
351.21881	0.7
357.20584	11.3
358.21014	0.8
363.19543	1.1
381.20575	3.2
399.21790	8.0
405.20859	1.3
417.29218	0.7
423.21783	5.0
424.22125	0.7
434.64484	0.9
441.22748	2.8
459.23798	1.3
491.37936	0.7
580.85901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
59.82811	0.4
67.05515	2.4
69.03429	1.0
69.07068	0.7
69.44396	1.4
71.04982	0.4
73.02901	0.6
77.03920	0.5
79.05491	2.8
81.03410	0.5
81.07055	3.4
83.01347	4.7
84.69264	0.4
85.02903	4.1
91.05459	2.8
93.07041	2.7
95.04976	0.6
95.08597	2.6
97.02876	1.6
105.07017	1.5
107.04964	0.5
107.08574	1.8
109.02834	0.6
109.06494	1.5
109.10193	0.5
117.07016	1.5
119.04961	0.6
119.08592	0.8
121.06498	3.4
121.10136	1.7
125.05978	0.5
131.08551	3.1
133.10097	0.5
135.08043	1.9
137.05971	48.3
138.06306	1.2
145.04944	1.0
145.06480	1.2
145.10121	0.8
147.04410	1.0
147.08025	0.8
149.05977	1.6
149.09618	5.4
151.07523	2.1
159.08022	2.7
159.11652	0.4
161.05951	4.3
162.06775	1.4
163.07538	30.7
163.11192	1.1
164.07866	1.1
171.08014	0.5
173.09621	1.6
174.06735	1.1
175.07558	4.6
176.08292	1.0
177.09102	100.0
178.09433	2.8
179.06975	0.7
181.29509	0.4
185.09563	0.6
186.06805	0.6
187.07570	2.0
187.11131	0.7
189.09087	3.8
190.09560	0.6
191.10657	32.4
192.11020	1.0
199.07649	0.6
200.08331	0.9
201.09125	7.1
201.12839	0.5
203.06999	2.2
203.10703	2.5
205.12254	2.9
213.08994	0.5
214.09958	0.8
215.10672	6.2
217.12213	5.2
227.07062	1.0
229.12209	2.9
231.13815	5.4
241.12198	0.7
243.10167	3.2
255.13843	0.7
257.11703	1.1
285.48123	0.5
297.18423	5.2
315.19519	22.2
316.19888	0.7
333.17181	3.2
333.20584	76.3
334.20850	3.7
339.19443	0.6
340.70758	0.5
351.17569	0.9
351.21655	15.4
357.16772	0.6
357.20676	3.9
381.20505	2.0
399.21701	4.0
423.21576	0.8
441.22559	0.9
459.23657	0.7
692.21967	1.1
693.43677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
54.24233	1.1
55.01868	3.6
55.05508	18.8
57.03435	14.3
61.02920	5.8
65.03933	3.3
67.05502	34.2
67.05862	2.0
69.03427	6.4
69.07061	10.0
69.63122	3.3
69.63513	2.6
71.04993	6.4
73.02900	2.7
79.05039	2.3
79.05489	32.9
80.78938	1.3
81.03414	80.1
81.07053	35.8
83.04977	20.8
83.08614	28.6
85.02902	31.3
85.06528	2.2
91.03986	2.0
91.05473	43.0
93.07035	23.2
95.04967	37.1
95.08603	16.0
97.02889	6.4
97.06516	5.9
97.10181	6.7
98.50563	1.3
99.04429	1.3
99.08100	2.5
103.05439	1.3
105.04523	1.9
105.07027	31.4
107.04966	8.2
107.08590	13.0
109.06501	7.6
109.10142	7.4
111.04424	2.8
111.08070	13.4
113.05978	3.7
114.49332	1.2
115.05439	2.6
117.06989	6.3
119.08572	25.0
121.06506	2.9
121.10132	12.5
123.08051	4.0
123.11687	3.6
125.09610	5.4
128.06160	1.9
129.05458	2.2
129.06996	19.7
131.08578	19.6
133.06483	5.4
133.10136	16.6
135.08002	1.5
135.11655	3.0
137.09615	1.8
142.07764	3.1
143.08588	1.5
145.06442	1.6
145.10107	4.1
147.08031	4.6
147.11694	18.9
149.09604	8.8
149.13271	1.5
157.10114	18.2
159.11737	2.5
163.11211	3.1
165.12756	5.5
175.11179	20.0
181.10074	1.6
193.12228	57.8
194.12572	2.5
195.13850	1.4
197.11469	1.5
211.13283	96.3
212.13640	3.4
227.12659	1.8
229.14352	2.7
233.15446	2.4
249.14879	2.0
262.96481	1.3
267.15875	46.6
268.16058	2.3
269.17542	3.6
283.15106	1.5
285.16946	96.1
286.17273	3.3
301.16522	2.8
367.22586	3.7
385.23734	6.8
403.24789	3.4
411.26990	2.0
423.27158	3.7
433.25336	2.2
441.26517	1.9
443.27817	3.6
451.27118	1.9
459.21472	2.4
459.27448	34.8
460.27780	3.1
461.28802	4.1
477.28461	44.7
478.28781	3.4
484.75290	1.4
495.29489	100.0
496.29727	7.1
503.09515	1.4
585.13422	1.4
611.89307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03942	4.0
55.01871	5.3
55.05512	30.0
57.03431	17.9
57.07081	3.4
59.04991	2.8
61.02925	6.7
65.03940	3.9
67.05504	97.2
68.05835	1.0
69.03425	4.0
69.06709	1.5
69.07065	21.0
71.01337	0.9
71.04996	17.2
73.02906	3.6
77.03923	1.4
79.05124	0.8
79.05489	42.3
81.03426	9.8
81.07058	100.0
83.04979	9.1
83.08614	20.6
85.02908	11.7
85.06543	6.4
87.04478	2.7
91.03952	2.7
91.05482	30.5
91.06058	1.6
93.07043	47.8
94.07345	1.3
95.04972	8.6
95.08604	20.0
97.02899	5.2
97.06528	13.6
97.10165	11.5
98.23467	2.8
99.08110	2.1
105.04504	2.4
105.07024	11.1
105.79076	1.0
107.04957	3.3
107.08594	32.0
109.06514	3.5
109.10158	39.1
111.04455	1.3
111.08080	8.3
115.45187	0.9
117.07018	7.5
119.08578	6.6
121.06500	2.6
121.10151	15.2
123.08076	2.2
123.11698	9.1
125.09646	8.2
129.05489	4.0
129.07008	3.3
131.08560	10.0
133.10135	13.8
135.08101	1.5
135.11697	11.3
137.09618	2.7
143.10686	1.5
145.04901	1.4
145.10121	4.0
147.11691	4.3
149.09573	1.5
149.13258	22.0
151.11154	5.0
153.12817	3.0
155.10684	4.2
159.11707	11.3
163.11179	4.4
165.12752	2.0
173.09560	1.2
173.11755	7.4
173.14824	0.9
177.12755	5.4
181.12166	1.0
183.13777	1.6
185.11653	1.1
186.49780	0.9
187.13275	1.5
191.10661	1.8
193.12231	2.7
195.13843	13.7
195.15544	1.2
199.13300	4.0
209.11749	3.7
211.13345	1.4
213.14909	2.2
227.12808	4.2
229.14349	33.7
239.16510	2.2
267.15952	6.4
269.17459	55.9
270.17780	1.1
283.15384	2.2
301.16425	11.2
301.20026	4.2
372.28867	1.1
411.27286	3.8
423.27390	27.4
424.27713	2.9
433.96915	1.2
437.29004	27.6
438.29138	2.2
451.30612	4.1
463.30536	64.4
464.30933	3.9
495.29346	19.4
495.33347	12.5
513.30682	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	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01874	4.8
55.05510	32.4
57.03428	20.9
57.07071	2.1
59.05000	4.0
61.02924	6.2
65.03947	3.4
67.05503	100.0
68.05843	1.6
69.03419	3.7
69.03990	1.2
69.07069	17.9
71.01366	1.4
71.04985	7.2
73.02911	6.0
74.82933	1.3
77.03940	1.4
79.05489	40.2
80.05814	1.3
81.03409	10.5
81.07055	76.4
83.04987	10.0
83.08622	21.9
85.02902	18.8
85.06554	5.7
85.06991	1.1
86.84313	1.4
87.04470	3.3
91.03957	3.2
91.05482	27.9
92.05779	1.1
93.07041	44.4
95.04989	10.7
95.08605	22.8
95.09210	1.4
97.02896	6.9
97.06520	9.8
97.10168	12.4
99.08125	1.4
103.03960	3.0
105.04546	2.4
105.07034	10.8
107.04948	5.7
107.08591	26.2
109.06528	3.9
109.10152	49.4
111.04470	1.3
111.08087	7.0
111.11713	1.3
113.09598	1.2
117.07012	9.6
119.08571	11.0
121.06464	3.0
121.10133	13.3
123.08063	2.6
123.11678	2.6
125.09624	12.6
129.05475	6.0
129.07014	2.8
131.08568	9.9
133.10135	12.5
133.93707	1.1
135.08076	2.3
135.11667	9.5
137.09650	2.1
143.08559	1.5
143.10672	1.7
145.10143	4.5
147.11671	4.4
149.09627	2.2
149.13252	13.3
151.11201	1.4
153.12697	2.3
155.10657	4.4
157.10110	1.6
159.11728	7.3
163.11185	5.9
165.12769	2.8
173.09584	1.5
173.11748	10.8
175.11263	2.0
177.12715	3.9
181.12257	3.3
189.11211	1.3
191.10635	3.0
193.12277	4.3
195.13809	16.2
199.13278	5.7
209.11708	6.1
211.13342	3.9
213.14926	1.7
227.12712	7.9
229.14334	51.0
230.14772	1.8
239.16486	2.4
251.18906	1.4
257.13931	4.5
267.15903	9.3
269.17462	66.1
270.17877	3.7
283.15372	5.3
285.17078	2.0
301.16449	16.0
393.26498	2.1
411.27307	9.2
423.27390	42.2
424.27817	2.8
431.27625	1.6
437.29135	1.4
463.30597	3.7
477.28601	3.8
495.29495	65.4
496.29675	3.7
513.30573	29.1
514.30682	2.0
693.32117	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	692.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60668	2.2
53.03944	4.4
55.01871	7.9
55.05508	29.7
57.03426	21.8
59.05008	4.4
61.02926	8.5
65.03940	4.2
67.05506	100.0
69.03429	4.3
69.07072	16.8
69.79137	4.5
69.79470	3.4
71.05000	6.1
73.02914	5.5
79.05494	34.5
81.03422	16.3
81.07061	82.0
83.01350	2.3
83.04977	7.9
83.08619	23.8
85.02903	18.7
85.06540	4.7
87.04488	5.1
91.03959	2.5
91.05489	28.6
93.06516	3.7
93.07050	37.1
93.88423	2.3
95.04971	10.5
95.08598	22.2
97.02895	6.6
97.06542	12.9
97.10171	16.6
105.07060	12.4
106.59537	2.0
107.04960	4.2
107.08600	30.6
109.06509	4.8
109.10149	53.6
111.04444	3.8
111.08089	9.0
117.07007	7.5
119.08587	9.3
121.06518	3.5
121.10151	12.0
123.11664	4.6
125.09641	15.6
129.05466	6.7
131.08566	11.5
133.10152	12.5
135.08025	3.3
135.11678	11.1
137.09625	3.7
143.10783	2.2
145.10121	3.5
147.11717	5.1
149.13254	13.8
153.12767	3.3
155.10721	4.9
157.10153	2.5
159.11696	8.9
163.11186	8.3
165.12708	3.7
169.14630	2.1
173.11693	17.2
175.11174	2.5
177.12711	5.1
181.12288	3.5
191.10725	2.6
193.12254	4.1
195.13789	13.9
199.13373	7.0
209.11699	8.6
211.13306	5.2
213.14813	2.8
227.12755	10.9
229.14352	56.4
239.16316	3.5
267.15912	12.4
269.17493	60.9
283.15469	8.2
301.16418	20.8
302.90421	2.3
313.85797	2.1
340.42059	2.2
393.26419	4.5
411.27408	7.4
421.01398	2.0
423.27405	42.0
431.27786	4.5
460.38254	2.1
477.28226	3.3
495.29501	66.4
513.30621	32.6
633.77252	2.5
664.13800	2.5
684.99780	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57642	0.7
53.03941	2.7
53.53896	0.7
55.01869	1.5
55.05255	1.1
55.05509	13.0
57.03441	8.1
57.07061	2.2
59.04996	1.2
60.71164	0.8
61.02918	3.5
65.03938	2.3
67.05506	65.4
69.03427	1.1
69.07064	14.2
70.40578	1.8
71.04992	16.4
73.02930	1.3
75.97151	0.8
79.05037	1.6
79.05492	23.8
81.03411	2.3
81.07056	80.8
82.07381	1.9
83.04983	5.3
83.08625	10.9
85.02907	3.7
85.06541	7.3
87.04462	1.5
91.04934	1.6
91.05482	19.6
93.07044	37.7
95.04950	4.0
95.08613	12.3
97.02915	2.0
97.06520	7.2
97.10169	3.5
99.08105	3.1
105.04522	1.9
105.07022	7.8
107.08597	23.3
109.06518	2.8
109.10159	10.4
111.08082	4.2
117.06998	6.1
119.08582	2.5
121.06519	1.0
121.10151	12.4
123.11700	9.8
125.09624	1.8
129.07025	1.0
131.08557	7.1
133.10118	13.4
135.08084	0.8
135.11678	7.2
139.11195	1.6
147.11719	1.1
149.12102	1.5
149.13263	21.0
151.11162	4.2
155.10577	0.7
159.11671	8.0
173.11714	2.2
177.12788	4.4
183.13800	1.2
187.13303	3.3
195.13795	7.8
209.11584	0.9
213.14888	1.2
225.14809	1.2
227.12788	1.2
229.14380	6.5
257.17505	1.0
267.15884	1.2
269.17477	26.2
269.20337	1.8
301.16400	2.4
301.20074	7.2
411.27203	1.5
423.27478	5.6
437.29025	39.3
438.29474	2.2
451.30588	6.0
463.30542	100.0
464.31027	8.0
495.33484	31.8
496.33350	2.3
513.30328	2.2
639.37280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05497	0.5
57.03431	0.4
57.07076	31.9
67.05496	1.4
69.03430	0.9
69.07066	0.5
69.76801	1.2
71.08617	0.6
73.02916	100.0
73.06567	1.3
74.03265	0.6
77.03916	0.5
79.05479	1.2
81.03403	0.7
81.07053	1.3
83.05032	0.3
83.08611	0.4
87.04469	9.6
87.39558	0.4
88.04823	0.6
89.06030	15.2
91.05486	4.8
93.07041	3.7
95.04980	1.9
95.08630	1.3
97.02942	0.4
97.06513	0.4
103.05486	0.7
104.41109	0.4
105.04549	0.5
105.07060	1.3
107.04955	0.6
107.08609	1.2
109.06522	0.5
109.10149	0.5
113.13318	0.7
117.05511	2.1
117.07047	1.0
117.09184	0.4
118.07829	2.1
119.04977	1.7
119.08572	2.6
121.06506	12.0
121.10175	0.7
122.06861	0.4
123.08072	0.7
130.91026	0.4
131.07034	3.5
133.08601	11.2
133.10153	0.8
134.08981	0.6
135.08023	2.2
135.11739	1.1
147.08051	5.7
149.09644	1.8
149.13348	1.0
150.06816	1.3
159.11746	0.8
161.08105	2.1
163.11267	1.5
165.09125	3.8
167.10742	0.8
175.09702	1.8
177.11313	4.4
177.12767	1.0
179.09296	0.7
184.07477	1.0
191.10774	1.4
193.12308	0.9
198.50008	0.4
205.10698	8.4
209.11690	1.9
211.13469	1.1
214.03531	0.4
219.12437	0.6
220.12776	0.4
221.13962	0.9
233.19000	10.0
234.19528	0.5
235.13467	1.6
239.15335	0.4
249.13200	1.9
253.14310	0.6
255.16026	1.0
259.20712	1.6
272.12976	0.4
275.20660	0.5
275.23776	0.8
277.21622	13.1
278.22147	0.5
293.16190	0.5
303.23367	1.2
309.19608	0.4
321.24249	4.0
323.18750	0.4
535.31299	2.2
563.30585	0.5
647.43512	2.7
675.44586	0.8
692.46295	26.1
693.46588	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	693.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12702	0.5
69.68873	1.8
71.05009	0.6
93.06408	0.5
93.07050	0.5
98.22685	0.6
104.82175	0.5
111.04265	0.7
137.05966	0.7
143.26567	0.5
148.81363	0.5
189.05226	21.2
189.06891	1.1
190.06009	3.2
205.78168	0.6
429.15237	3.5
444.17590	3.3
445.12103	1.3
445.18323	25.9
446.18637	1.9
514.15283	0.6
582.12488	0.5
607.23682	1.8
649.24738	16.5
650.24664	1.0
693.23621	100.0
694.24078	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	693.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01874	1.8
55.05514	5.7
56.05837	0.8
57.03429	4.5
58.91141	0.6
61.02931	4.4
61.72156	0.5
65.03931	1.1
67.05502	21.1
68.05844	2.4
69.03422	3.1
69.07069	4.2
71.01336	0.6
71.04988	2.9
73.02918	3.3
79.05491	11.0
80.05815	1.4
81.03411	7.6
81.07053	18.6
82.07372	2.5
83.04987	2.5
83.08615	5.6
83.63690	0.5
84.08946	0.8
85.02906	5.4
85.06550	1.6
87.04469	1.1
91.03965	2.4
91.05478	9.6
91.06048	0.5
92.05843	0.9
93.07045	12.9
94.07384	2.1
95.04964	4.2
95.08603	5.3
96.08913	0.8
97.02888	4.6
97.06541	2.4
97.10191	2.0
99.04458	0.8
99.08110	0.9
101.02403	1.5
105.07032	5.5
106.07383	0.7
106.35073	0.6
107.04984	1.5
107.08594	6.7
108.08952	1.2
109.02862	0.7
109.06490	1.3
109.10149	5.7
110.10513	2.1
111.04458	0.8
111.08106	1.9
117.07046	2.3
119.08581	3.1
120.08906	0.5
121.10169	2.5
123.08076	0.9
123.11722	1.3
125.09654	1.7
127.03923	1.1
129.05458	0.7
129.07021	1.5
131.08589	2.3
132.08914	0.9
133.10149	4.6
134.10486	1.2
135.08086	0.8
135.11714	2.0
136.12047	0.9
143.08644	0.9
145.10149	1.6
146.46350	0.6
147.08112	0.7
147.11670	3.0
148.12067	0.6
149.02327	1.3
149.09619	0.6
149.13284	2.3
150.13577	0.6
151.11165	1.5
156.78406	0.6
157.10149	0.6
159.11755	1.4
160.12033	0.5
161.13225	1.0
163.11188	1.3
171.11699	1.3
175.11264	1.5
179.25522	0.6
193.04965	0.9
193.12198	2.6
195.13847	1.6
196.14284	0.6
211.13361	1.7
215.00963	0.5
227.12764	1.1
229.06474	0.6
229.14345	4.3
230.14769	2.0
243.08459	3.1
247.13110	0.8
249.11102	0.6
251.12659	3.1
253.14474	1.3
254.14697	1.3
267.15967	1.5
268.16324	0.6
269.17410	6.1
270.17844	3.9
287.50125	0.6
301.16467	1.5
302.16998	0.9
307.15039	0.7
347.56390	0.6
423.27365	1.4
424.27686	3.1
429.88480	0.5
437.29102	1.0
438.29489	2.4
439.52625	0.6
446.29929	0.8
452.31311	0.8
460.28030	1.0
463.30725	2.1
464.31131	6.6
465.20923	9.3
466.21265	1.0
469.20425	7.9
479.30157	0.7
496.30151	2.6
496.33112	2.1
513.30811	0.6
514.31000	2.0
528.38257	0.6
693.34442	100.0
694.34833	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	693.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84367	1.0
55.05489	1.0
67.05500	5.8
69.03431	1.5
69.07042	1.1
79.05486	2.9
81.03423	1.0
81.07056	4.3
85.02898	1.7
91.05482	2.2
93.07048	2.1
95.08613	2.6
97.02882	1.4
97.06522	0.8
105.07076	0.8
107.08564	2.2
109.10173	2.7
127.03936	1.4
131.08490	0.8
133.10150	1.1
145.10124	1.1
158.99615	0.9
173.04382	0.9
173.11736	1.2
229.14415	1.4
230.14784	1.0
269.17520	1.3
328.89151	0.9
424.27515	1.9
496.29877	3.2
593.74640	1.0
693.34467	100.0
694.35016	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	693.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51278	1.0
55.05507	1.9
57.03431	3.8
61.02928	9.0
67.05512	10.1
69.03423	4.1
69.07072	3.1
69.30596	4.9
73.02906	4.9
79.05482	1.8
81.03436	1.9
81.07048	5.7
83.08630	2.7
85.02911	8.9
91.03934	5.5
91.05484	1.8
93.07054	2.4
95.08595	5.5
97.02879	8.1
99.04455	1.5
101.02360	2.0
107.08571	1.3
109.10152	7.8
121.10154	1.6
127.03903	3.1
173.11783	1.4
185.04219	1.6
195.09935	1.5
243.08524	2.7
333.38266	1.1
337.27423	2.1
383.02341	1.0
413.17636	6.3
521.30969	9.2
693.41779	100.0
694.42230	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	693.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.03419	1.1
61.02929	2.7
67.05507	4.7
69.03445	2.2
69.07058	1.1
69.27409	2.9
69.27810	1.9
72.90135	0.9
73.02921	2.4
81.07072	1.1
83.08614	1.0
83.37972	0.9
85.02922	3.0
91.03979	1.5
93.07058	1.1
95.08608	2.1
97.02909	3.3
101.02393	1.6
109.10162	5.0
173.11760	1.0
243.08415	1.7
413.17825	6.0
492.95126	1.0
521.31049	2.9
693.41827	100.0
694.42102	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	694.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.8
57.03437	3.8
57.07073	2.0
61.02928	26.4
67.05506	55.1
69.03437	3.0
69.07064	12.5
69.59068	6.3
71.05004	3.2
73.02918	7.9
79.05495	34.1
81.07057	59.2
83.08614	3.8
85.02910	29.2
85.06555	1.9
91.03960	27.3
91.05476	18.2
93.07046	47.1
93.07604	3.2
95.04990	2.2
95.08606	45.3
96.11253	1.8
97.02893	15.9
97.06484	2.8
97.10164	3.5
105.07026	12.2
107.08598	25.6
109.10159	28.1
117.07018	8.7
119.08562	13.2
121.10149	27.3
123.11703	11.7
127.03939	11.7
131.08554	16.6
133.10155	11.0
135.11710	24.4
137.09552	2.2
137.13280	5.9
145.04982	12.9
145.10106	14.7
147.11696	7.5
149.13264	21.7
151.14832	3.2
159.11691	13.8
161.13260	10.2
163.06038	19.3
163.14854	13.4
173.13251	11.9
175.14851	3.7
177.12868	1.8
177.16399	6.4
179.14354	2.3
187.14883	8.6
201.16441	2.6
203.73616	1.7
233.22755	4.4
243.21078	29.1
261.22144	100.0
262.22498	3.9
279.23309	2.8
297.20352	1.8
335.25806	16.6
353.26868	67.0
354.27420	2.1
412.77408	1.8
458.63577	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01859	1.7
55.05510	13.5
57.03432	5.6
57.07072	3.6
60.33226	1.2
61.02925	23.8
61.63885	1.0
65.03925	2.5
67.05501	70.3
69.03424	4.3
69.07066	13.5
71.04987	4.7
71.08627	1.6
71.34621	1.4
73.02908	9.4
75.04498	2.0
79.05489	37.8
79.05951	2.1
81.03411	3.1
81.07053	80.9
82.07373	1.4
83.05029	1.4
83.08622	6.7
85.02897	28.9
85.06527	2.2
87.04464	1.5
91.03952	23.1
91.05471	17.0
93.06446	1.7
93.07041	48.6
95.04954	3.2
95.08602	60.5
97.02893	12.9
97.06554	2.6
97.10168	4.5
99.04422	3.1
99.08098	1.4
105.04499	2.4
105.07026	15.7
107.08593	36.2
109.10156	35.0
111.08070	2.8
115.03928	2.2
117.07024	8.9
119.08562	13.8
121.10143	35.0
122.10472	1.2
123.08070	2.3
123.11705	19.0
125.09610	1.4
127.03912	8.4
131.08560	18.0
133.10107	14.3
135.11685	27.0
135.12657	2.2
137.09605	2.1
137.13226	8.4
139.11154	1.5
145.04956	12.5
145.10123	15.5
147.11665	9.8
149.13245	20.2
151.11191	2.1
151.14821	2.7
159.11679	12.2
161.13257	10.2
163.06012	24.9
163.11188	1.8
163.14813	13.8
165.12743	1.8
173.13249	15.1
175.14816	4.7
177.12799	1.5
177.16374	4.8
179.14279	2.7
187.14821	8.2
189.16412	1.4
191.14346	2.5
201.16411	2.7
205.15947	1.9
214.04349	1.1
215.18024	1.6
233.22624	3.9
243.21074	34.2
244.21457	2.3
261.22119	100.0
262.22461	4.8
263.23898	1.8
279.23175	5.3
317.24680	1.6
335.25754	32.4
336.26135	3.0
353.26837	69.0
354.27222	4.0
395.63281	1.2
497.31009	7.2
550.50830	1.5
651.65131	1.2
694.54504	1.9
709.16730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64636	0.5
53.03940	1.9
55.01873	1.9
55.05515	9.3
57.03436	14.6
61.02913	0.7
65.03928	1.0
67.05502	30.5
69.03426	2.3
69.07071	9.7
70.39771	1.4
71.01349	2.8
71.05003	4.1
72.39738	0.5
73.02901	0.6
75.01008	0.5
79.05489	26.8
81.03417	49.9
81.07053	17.9
82.03753	0.8
83.04977	7.4
83.08621	12.4
83.49519	0.7
85.02898	2.5
85.06532	2.0
91.05476	17.5
92.05852	0.7
93.07037	32.3
94.36948	0.5
95.04964	17.9
95.08607	5.3
96.05260	0.5
97.02904	1.7
97.06522	8.9
97.10166	7.9
99.08078	1.6
105.04499	0.8
105.07027	8.6
107.04979	4.1
107.08592	20.0
109.06534	2.9
109.10162	6.3
111.04422	1.5
111.08086	5.9
111.11703	0.6
117.07019	4.1
119.08575	10.5
121.06474	3.0
121.10141	8.2
123.08092	0.8
123.11691	0.7
125.09639	1.9
129.06976	4.9
131.08582	5.1
133.06523	1.0
133.10127	6.1
135.08098	1.2
135.11688	33.1
136.12025	0.8
137.09641	2.0
142.07780	0.8
145.10117	7.2
147.08017	1.3
147.11670	5.0
149.09625	2.6
149.13312	0.7
153.12740	1.1
157.10138	5.5
163.11182	4.9
165.12737	1.4
175.11182	5.8
181.12206	6.0
184.07341	1.1
188.37596	0.6
193.12236	13.7
199.13269	1.1
211.13348	2.4
249.14799	1.4
255.15901	59.9
256.16296	1.9
267.15900	41.2
268.16293	1.2
269.17664	0.8
285.16977	1.1
301.14310	0.8
355.22391	0.9
403.24664	1.6
421.25842	8.3
429.26563	0.6
439.26749	2.0
447.27402	100.0
448.27695	5.7
461.28619	1.2
465.28403	5.7
479.29596	2.2
489.28262	1.7
497.31140	4.0
555.29456	1.2
590.80841	0.6
694.34314	1.4
695.31329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	74.8
69.07088	1.6
87.04474	28.9
89.06033	100.0
91.05460	8.8
93.07065	5.4
95.04982	1.6
99.11716	3.5
103.05453	2.3
105.07054	2.8
107.04950	2.5
107.08601	3.8
117.07014	2.9
117.09159	2.0
118.07818	3.7
118.84257	1.6
119.04935	3.2
119.08575	3.4
119.86111	1.6
121.06504	15.3
123.08121	1.7
130.08684	2.9
131.07053	10.0
133.08609	74.0
135.08054	7.7
135.11711	3.0
139.68831	1.4
147.08051	11.6
149.09642	4.3
150.06749	3.4
163.11162	4.9
165.09140	7.2
167.10698	2.3
175.09727	7.4
175.11082	2.1
177.11235	32.3
177.12761	2.5
191.10727	4.5
209.11711	3.6
211.13345	4.9
219.12398	2.2
219.17451	20.4
221.13879	5.5
235.13387	3.0
245.19061	4.5
255.15938	3.6
261.22324	1.9
263.20044	29.8
265.16528	2.2
279.15823	1.7
283.17596	1.9
289.21503	3.1
299.18472	2.3
305.17456	1.5
307.22690	11.0
677.44879	14.9
694.47430	11.3
695.46417	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30833	0.5
63.90160	0.5
67.05523	0.6
69.07083	0.7
69.82765	1.3
69.83120	1.2
81.07035	0.6
107.08577	0.7
117.20594	0.5
122.06016	1.5
137.05954	0.7
139.03886	4.6
140.07065	0.9
152.07074	1.3
177.05405	0.8
184.10284	0.7
194.08153	2.1
209.10733	0.7
211.08673	0.9
219.06371	0.6
221.10690	0.5
228.78598	0.6
235.08701	2.0
236.09488	1.2
237.10310	2.9
238.10947	1.1
249.10249	11.8
250.10974	3.7
251.08148	0.9
251.09244	0.8
251.11780	7.5
252.12550	1.5
253.09583	0.7
261.10199	2.0
262.10962	0.8
263.08276	1.4
263.11783	1.7
264.08926	2.3
265.09772	9.0
265.13040	1.1
266.10269	0.5
267.11353	0.9
269.12735	0.9
277.09671	7.8
278.10504	11.3
279.07678	9.0
279.11301	17.9
280.11948	1.9
281.09204	1.7
281.12714	0.9
282.09924	1.1
283.10721	0.7
291.11331	0.9
292.08542	1.3
292.12015	0.8
293.09323	2.2
293.12799	21.9
294.09985	1.0
294.13016	1.1
295.10864	2.1
295.14020	1.1
296.11450	2.0
297.12296	5.2
298.13071	0.7
305.09198	6.6
306.10001	3.3
307.10739	11.5
309.08853	1.2
309.12271	5.9
310.09482	2.7
310.12866	1.1
311.10309	6.3
311.13980	1.7
312.14780	1.1
313.11847	1.0
313.15390	1.5
314.12659	0.5
321.12280	1.4
322.13141	0.8
323.10291	4.0
323.13797	1.0
324.11096	2.6
325.08096	1.0
325.11826	14.6
326.12411	1.6
333.08676	9.0
334.09244	1.3
337.11908	2.5
338.12546	4.9
339.13397	39.3
340.13992	3.5
341.11246	0.8
342.12418	1.2
343.13004	0.8
344.13925	1.1
351.09735	19.6
352.10385	2.5
353.10706	0.7
353.15024	12.0
354.15936	0.8
355.13144	1.2
356.13739	2.0
357.14786	1.0
358.15442	1.3
366.12109	26.8
367.12872	10.6
368.13800	1.2
369.10776	0.7
369.14508	6.7
370.15579	1.3
371.16354	3.7
372.13269	1.2
373.13861	0.8
373.18106	0.9
374.14719	0.7
383.12296	2.8
384.13315	3.2
385.13876	0.7
386.15045	1.3
396.13776	0.7
397.13873	3.0
398.14755	12.2
399.15506	100.0
400.16122	6.0
401.13321	1.5
402.14407	1.0
412.12845	0.7
414.14386	1.7
415.14783	0.8
416.16061	1.3
417.17099	1.2
418.17377	0.9
426.14526	0.8
428.16110	1.6
442.18033	1.1
445.16537	1.0
446.16980	1.5
454.13892	1.6
455.14847	1.0
456.15646	1.0
460.18909	1.6
472.14981	1.8
473.15768	5.3
474.16580	7.4
476.17764	1.3
477.19110	1.0
492.17529	1.6
504.17599	2.1
505.18460	12.8
506.19257	11.2
507.19305	0.7
512.23676	3.2
523.19385	2.2
524.20062	3.7
538.21857	68.6
539.22437	15.8
540.22913	1.0
556.22894	28.9
557.23187	1.9
595.22144	1.4
613.22784	7.8
627.24432	1.7
631.23633	2.9
645.15784	1.0
645.25458	11.5
646.25281	1.7
659.27130	0.7
663.26642	9.8
664.26642	0.7
695.30121	3.5
695.40131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3251
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03955	0.6
55.05506	1.6
57.03444	1.7
61.02928	2.9
67.05502	5.3
69.03425	2.1
69.07080	0.9
71.01328	0.4
71.04997	1.0
73.02903	2.3
79.05483	3.0
81.03414	5.2
81.07055	4.6
82.07349	0.5
83.04983	1.2
83.08625	1.7
83.95925	0.3
85.02901	4.7
85.06543	0.6
86.09696	0.3
91.03934	1.6
91.05473	3.1
93.07033	4.0
93.07540	0.4
95.04965	2.9
95.08603	2.7
96.05354	0.3
97.02881	3.2
97.06553	0.8
97.10201	0.3
99.04485	0.6
101.02408	0.9
103.10534	0.3
105.07032	2.5
107.04974	0.9
107.08593	2.4
109.02905	0.5
109.06548	0.5
109.10158	1.4
111.04440	0.5
111.08048	0.7
117.07037	0.4
119.08575	1.6
121.06497	0.4
121.10153	1.5
123.11744	0.5
127.03919	0.9
129.07005	0.7
131.08585	1.2
133.10083	1.6
135.08072	0.4
135.11681	2.7
145.10120	1.5
147.11693	1.0
149.09618	0.5
153.12738	0.4
157.10168	1.3
163.11200	3.2
165.12657	0.3
173.11685	0.3
175.11226	1.1
181.12262	0.8
184.07346	0.8
185.04242	0.5
193.10754	0.3
193.12175	1.9
211.13341	1.1
219.09932	0.6
227.12749	2.4
243.08385	1.8
243.15947	0.7
249.10950	7.1
251.12599	0.9
262.77283	0.3
267.15811	1.7
268.16165	0.7
269.17590	0.7
270.17874	0.5
285.16971	0.7
286.17419	0.6
287.18378	0.4
305.13620	1.4
307.15179	0.6
348.01218	0.3
422.26025	0.5
440.27130	0.4
448.27585	0.4
453.28110	0.7
454.28784	0.9
461.28906	1.1
462.29309	1.2
463.30722	0.4
467.18826	6.2
469.20438	8.3
479.29828	0.6
480.30292	1.1
497.30792	0.6
498.31512	0.8
533.26782	0.6
675.38867	0.5
695.32312	100.0
696.32587	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	695.3258
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03947	0.4
55.01854	0.4
55.05507	1.7
57.03441	2.2
60.08192	0.5
61.02923	3.5
65.03946	0.7
67.05505	8.4
68.05824	0.6
69.03430	2.1
69.07069	2.1
70.64771	0.6
71.04990	2.1
72.05303	0.4
73.02919	2.4
79.05491	5.1
80.05830	0.5
81.03418	6.6
81.07056	7.0
82.03747	0.7
82.07399	0.7
83.04990	1.6
83.08627	2.5
85.02910	4.5
86.09717	1.4
86.62054	0.4
91.03998	1.8
91.05492	4.6
92.05849	0.9
93.07049	5.1
94.07400	0.8
95.04968	4.1
95.08598	3.7
96.05295	0.6
97.02895	3.0
97.06545	1.1
97.10190	0.5
99.04446	0.6
101.02383	1.0
105.07036	3.5
106.07368	0.4
107.04964	1.4
107.08589	3.2
109.02905	0.6
109.06551	0.8
109.10160	3.7
110.10519	1.0
111.04456	0.6
111.08095	1.3
113.06017	0.7
114.06497	0.4
117.07030	1.0
119.08600	2.6
120.08955	0.7
121.06496	0.5
121.10127	2.0
123.08115	0.5
125.00024	1.1
125.09677	0.6
127.03938	1.1
129.06993	0.7
131.08582	1.3
133.10146	1.7
135.08049	0.5
135.11696	3.5
137.09676	0.8
145.10158	1.8
147.11681	1.8
149.09668	1.3
149.13309	0.5
149.42870	0.4
151.11218	0.8
157.10190	1.4
163.11168	3.4
165.12744	0.5
173.11720	0.5
175.11266	1.2
176.11575	0.5
181.12282	0.4
184.07336	4.0
185.04181	0.5
185.07701	1.1
193.12265	2.7
194.12589	1.0
211.13336	2.0
212.13692	0.9
219.10056	0.4
227.12802	2.6
235.40700	0.4
243.08411	1.8
249.10974	4.8
251.12585	2.5
255.16010	0.4
267.15927	2.3
268.16321	1.8
269.17474	1.4
270.17960	0.6
285.17007	1.0
286.17288	1.0
287.18570	1.0
288.18915	0.5
305.13547	2.0
307.15250	0.9
309.64658	0.4
359.50314	0.4
421.25922	0.7
422.26364	1.5
439.20389	0.4
439.26941	1.3
440.27188	2.8
447.27676	0.8
448.27869	3.2
454.28867	0.6
461.28909	0.8
462.29321	3.3
465.28452	1.2
466.28836	3.8
467.18900	10.4
468.19052	0.5
469.20444	12.1
470.21390	0.4
480.30478	2.1
492.48163	0.5
497.30902	1.0
498.31354	3.6
533.27374	1.1
645.35529	0.6
695.32312	100.0
696.32422	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	696.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
54.05302	1.2
55.01873	8.3
57.03445	9.2
57.07058	1.7
61.02922	8.7
68.99770	4.2
69.03427	43.3
69.07061	2.9
71.01360	1.7
71.04987	4.1
71.08627	2.7
73.02918	7.4
73.03274	1.1
79.05495	2.1
81.03412	26.0
83.08606	1.9
84.27503	1.3
85.02905	100.0
87.00825	36.5
87.04491	2.4
91.03959	2.1
97.02261	1.6
97.02891	33.4
99.04472	11.7
103.03938	13.7
105.01865	29.8
107.04953	3.5
109.02177	2.2
109.02881	27.7
111.04456	2.5
115.03922	3.2
115.05669	1.1
117.01875	2.5
123.04416	2.0
127.03910	48.7
129.01826	6.9
135.04446	7.5
139.03905	31.6
143.08731	1.5
145.04956	23.7
147.02846	5.0
147.04340	2.0
149.02310	3.1
149.06059	1.5
151.03877	1.8
153.05457	8.6
155.03355	2.0
159.02885	14.4
163.03902	62.7
167.03391	3.9
169.04956	3.1
171.02922	3.3
177.05461	5.7
179.06926	1.9
181.04938	21.7
187.07648	1.2
189.03947	23.3
189.05515	1.4
193.04956	2.0
201.03799	1.4
201.05527	2.0
205.04955	11.5
213.03885	1.7
219.06656	2.3
227.03139	1.2
229.04892	2.2
231.04974	10.8
247.05904	6.0
249.05965	2.6
265.07162	2.0
265.58325	1.5
269.17456	2.9
275.16504	10.3
279.15912	4.6
279.61667	1.5
281.17615	1.6
289.18060	2.0
293.17465	92.3
294.17862	3.8
305.17557	2.8
311.18500	4.6
317.17529	3.6
319.19159	1.3
331.18893	4.3
335.18524	30.9
359.18503	21.1
377.19635	30.7
395.20679	1.8
463.19376	5.4
481.20386	5.0
499.21555	11.2
515.14661	1.4
567.51135	1.4
646.02704	1.4
695.49011	1.6
696.29938	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	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01868	0.8
55.05255	0.9
55.05511	12.8
57.03432	5.0
57.07083	6.6
61.02926	24.2
65.03938	1.5
67.05505	57.9
68.05809	0.6
68.33913	0.5
69.03431	3.8
69.03738	0.7
69.06706	1.2
69.07066	17.8
69.46941	0.5
71.04989	1.5
71.08635	4.3
73.02917	8.9
76.48980	0.6
78.37786	0.6
79.05494	17.6
79.96783	0.5
81.03416	1.2
81.07056	68.0
82.07377	1.6
83.04979	1.4
83.08617	14.2
85.02903	28.6
85.06532	2.1
85.10164	2.9
91.03959	22.1
91.05483	11.1
93.07045	17.8
95.04967	1.4
95.08605	63.3
96.08928	0.6
97.02894	13.6
97.06522	5.2
97.10165	10.3
98.23447	1.2
99.04475	1.8
99.08094	3.7
105.07034	10.4
107.08592	12.9
109.02824	1.0
109.06512	1.0
109.10156	32.5
110.10471	0.6
111.08089	3.1
111.11713	2.5
113.09634	2.1
115.03958	1.8
119.08582	9.4
121.10147	17.0
123.08115	0.8
123.11707	17.3
125.09643	1.3
125.13280	1.7
127.03908	8.9
127.11214	1.1
129.05515	0.7
133.10127	13.9
135.11685	10.9
137.09633	1.2
137.13251	6.7
139.11177	1.2
141.12738	2.9
145.04961	12.6
147.11694	8.6
149.13246	10.2
151.11174	1.5
151.14806	5.3
153.12730	1.0
155.14320	3.0
161.13266	12.9
163.06017	23.3
163.14799	8.5
165.12778	1.2
165.16388	7.6
166.16789	0.6
167.14316	1.1
175.14806	8.7
177.16415	2.5
179.14334	0.8
179.17947	5.6
181.15906	1.8
189.16409	5.1
193.15862	1.1
203.18010	1.1
217.19537	1.6
219.21002	0.7
245.22643	64.6
246.22952	2.3
263.23700	100.0
264.23965	4.5
265.25266	2.7
281.24887	2.9
325.11356	0.9
337.27365	45.0
338.27667	2.1
355.28378	11.7
356.28693	0.7
392.20831	0.6
466.23758	0.7
499.32529	1.0
537.30182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01870	1.1
55.05255	0.9
55.05511	15.1
55.05780	0.8
57.03441	6.3
57.07074	8.6
58.45718	0.5
61.02927	22.3
65.03938	2.2
67.05504	62.3
68.05850	0.9
69.03412	2.7
69.07067	21.7
71.04996	2.3
71.08629	6.0
73.02917	8.2
73.54990	0.5
75.04484	0.7
79.05495	16.8
80.44458	0.4
81.03421	1.3
81.07056	77.7
82.07401	0.7
83.04992	1.9
83.08129	0.6
83.08622	17.3
85.02903	27.3
85.06541	1.8
85.10169	2.2
86.67815	0.5
87.04472	0.7
91.03957	22.1
91.05474	14.6
93.07045	21.1
95.04964	1.6
95.08604	67.0
96.08910	0.8
97.02893	12.2
97.06532	6.4
97.10171	11.1
98.10540	0.7
98.22895	3.2
99.04449	1.6
99.08104	3.4
103.03967	0.7
105.04523	0.6
105.07027	9.2
107.08595	15.9
109.02876	1.0
109.10153	36.5
111.08085	3.2
111.11727	3.6
113.09644	1.8
115.03943	1.2
117.05544	0.6
119.08575	11.7
121.10146	20.9
123.08067	0.6
123.11706	16.0
125.09641	1.8
125.13244	0.8
127.03911	9.8
127.11242	0.9
129.05482	0.7
131.08589	0.6
133.09180	1.0
133.10136	15.0
135.11691	10.5
137.09616	1.7
137.13260	7.3
139.11188	1.7
139.14825	0.6
141.12717	2.7
145.04965	12.1
145.10097	0.8
147.11676	9.3
149.13268	8.8
151.11192	1.9
151.14813	5.6
153.12733	1.2
155.14275	3.3
161.13264	13.6
162.55705	0.6
163.06015	21.7
163.14842	9.2
165.12698	1.0
165.16391	8.5
167.14287	1.3
175.13351	1.0
175.14815	9.8
177.16382	2.0
179.14287	1.5
179.17934	7.0
181.15926	1.5
188.81891	0.5
189.16354	5.0
193.15895	0.9
203.17949	2.4
204.08571	0.6
207.17473	1.0
217.19492	1.5
245.22647	63.1
246.23027	2.2
247.24220	0.6
263.23694	100.0
264.24118	3.8
265.25259	2.1
281.24768	2.8
325.11224	0.6
337.27362	66.5
338.27655	3.0
347.11765	0.7
355.28433	17.8
463.31100	0.6
481.31430	0.7
499.32440	6.3
551.57715	0.5
659.99988	0.8
661.37567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01884	1.0
55.05520	1.0
57.03443	2.8
59.04994	0.6
60.21793	0.4
61.02924	6.2
65.03940	0.4
67.05502	8.3
69.03435	3.0
69.07070	1.8
69.25414	0.4
70.84783	0.4
71.01370	0.7
71.05000	3.3
73.02921	4.6
79.05501	2.4
80.39690	0.4
81.03426	2.3
81.07059	6.5
83.08640	1.4
85.02907	7.0
85.06569	0.9
87.04480	0.6
91.03955	4.3
91.05466	2.1
93.07043	3.8
95.05007	0.8
95.08600	2.2
97.02904	6.1
97.06545	1.2
98.22701	1.1
99.04467	1.2
99.08115	0.4
100.65222	0.5
101.02385	2.4
105.07056	0.9
106.98005	0.4
107.08592	2.6
109.02898	0.9
109.10155	4.0
111.08109	0.9
115.03954	0.7
117.07050	0.6
119.08624	0.5
121.08736	0.4
121.10196	1.6
123.11732	0.9
127.03902	2.5
129.05534	0.8
131.08583	0.9
133.10181	1.6
135.11734	0.8
145.04962	0.6
149.13251	2.2
151.11238	0.7
155.10648	0.7
159.11740	1.0
173.11778	0.9
183.33624	0.4
185.04242	2.3
187.13332	0.6
195.10048	0.7
195.13910	1.4
201.03844	0.7
203.05186	0.6
205.68051	0.4
221.11554	0.4
229.14510	0.6
235.13208	1.8
241.06976	0.6
243.08395	3.9
257.17609	0.7
267.15854	1.3
269.17490	1.0
273.18915	0.4
279.48788	0.4
291.15829	1.0
301.08939	3.7
315.10712	1.6
329.12027	0.5
353.21652	0.5
363.21588	0.6
369.15372	0.6
371.17010	1.4
373.11267	1.3
385.18588	0.9
389.27005	0.6
413.17804	8.0
425.21637	1.7
429.17413	0.6
443.19086	0.5
453.20996	11.2
454.21439	0.4
463.26740	1.4
469.20642	0.6
483.21942	0.4
484.22519	2.0
485.24777	5.3
497.24158	0.8
499.21567	1.3
541.26117	1.9
553.30194	1.0
567.31421	10.9
568.31720	1.9
596.31549	8.7
597.32416	1.4
625.31915	50.6
626.32294	4.4
651.33539	2.6
665.34918	0.8
669.34808	1.0
697.37604	100.0
698.37799	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	697.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
53.63203	0.5
55.01880	0.8
55.05515	1.1
57.03431	1.2
61.02929	3.1
67.05501	2.3
69.03416	1.8
69.07063	0.8
70.50352	0.9
71.04998	0.4
73.02923	2.9
78.80901	0.4
79.05506	2.1
81.03426	3.6
81.07063	3.0
83.04987	0.6
83.08637	1.0
85.02914	5.1
91.03958	2.2
91.05482	3.6
93.07030	2.1
95.04975	2.0
95.08611	0.8
97.02889	2.8
97.06532	0.4
97.10181	0.4
99.04522	0.5
101.02399	1.6
103.03966	0.8
105.07028	1.9
107.04968	0.4
107.08612	0.7
109.02908	0.8
109.06516	0.4
109.10194	0.6
111.08109	1.0
118.36732	0.4
119.08594	1.3
121.10160	1.1
123.35670	0.4
127.03934	1.0
129.05492	0.4
129.07054	0.6
131.08588	1.1
133.10153	1.7
142.27753	0.4
147.11768	1.3
149.09592	0.6
157.10149	1.2
163.28091	0.4
175.11249	1.2
185.04294	0.7
193.12320	1.3
211.13348	0.8
232.39674	0.5
243.08484	2.1
251.12567	2.3
285.17041	0.5
301.09003	1.3
307.15344	0.8
469.20529	10.9
470.21103	0.8
525.23132	0.5
535.29517	0.6
559.77332	0.4
653.31433	1.1
679.32898	1.6
697.34045	100.0
698.34363	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	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03529	3.0
61.03027	5.2
67.05614	8.8
69.03544	2.4
70.93204	0.8
73.03037	4.2
79.05609	2.0
80.14737	0.7
81.03516	1.6
81.07189	4.5
83.08749	1.3
84.01994	0.9
85.03036	6.0
87.04531	1.0
89.16438	0.6
91.04114	3.7
91.05567	1.0
93.07176	2.0
95.08725	0.9
96.51962	0.7
97.03050	5.6
99.04607	1.1
101.01965	0.7
101.02533	2.4
103.04080	1.0
107.08734	1.5
109.03026	1.0
109.10327	9.3
111.08215	1.0
115.04047	1.1
119.08698	1.4
121.10339	0.7
127.04072	1.7
129.05667	1.1
133.10295	0.8
145.05096	0.7
149.13393	1.4
155.10826	1.7
173.11992	3.3
185.04515	2.5
187.67694	0.7
195.10141	1.7
195.13937	0.9
221.11699	0.9
223.07469	0.7
227.05423	0.7
229.14587	2.5
235.13358	1.9
243.08411	4.1
251.12837	0.9
265.14355	0.9
294.21664	0.8
301.08969	5.3
315.10858	3.2
329.12534	0.8
369.15439	2.1
371.16806	4.8
373.10867	3.6
385.18549	2.7
389.26556	1.0
403.79871	0.9
413.17844	22.3
414.18573	2.2
425.21628	3.4
429.17496	2.3
443.19193	1.4
453.20850	7.1
463.26779	1.6
469.20462	1.0
483.22162	1.3
484.22995	2.8
485.19977	8.2
497.23660	1.7
499.20990	1.7
527.25140	1.0
541.26233	3.7
553.29938	2.1
565.67816	0.9
567.31464	24.6
568.32208	3.8
596.31653	18.2
597.32458	2.4
623.33466	1.1
624.35425	0.9
625.31982	100.0
626.32111	7.7
628.30658	2.0
651.33392	6.6
652.33734	1.0
669.34381	1.7
676.97473	0.8
697.34039	52.1
698.34003	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	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05630	0.7
57.03287	1.1
57.03570	1.3
61.02736	2.9
61.03091	3.9
67.05282	3.5
67.05686	6.3
69.03592	1.8
69.07187	0.9
69.75168	1.5
69.75529	1.3
71.05135	0.7
73.02668	1.4
73.03104	2.4
79.05687	1.7
79.55114	0.6
81.03177	0.8
81.03600	1.4
81.06724	2.5
81.07269	5.5
82.07562	0.7
83.08369	0.8
83.08799	1.3
85.02558	1.7
85.03130	4.3
85.06706	0.6
91.03580	1.0
91.04189	2.9
91.05682	1.3
93.06643	1.1
93.07272	3.3
95.08811	1.5
97.02449	1.5
97.03139	3.8
99.04649	1.0
101.02560	1.3
105.07217	1.1
107.08175	1.2
107.08841	1.9
109.03116	0.7
109.09620	1.1
109.10417	4.8
117.07202	0.9
119.15087	0.7
121.09611	0.6
121.10378	1.5
127.04189	2.1
129.05690	1.3
130.05936	0.6
131.08780	1.1
133.10397	1.5
135.11937	1.0
136.12286	0.6
145.05148	0.7
149.13509	0.9
159.11969	0.9
173.10683	0.7
173.11998	1.6
185.04601	2.4
195.10301	2.2
199.06035	0.7
201.04008	1.1
203.05565	0.9
229.14645	0.9
235.13478	2.0
243.08450	3.1
251.12851	1.6
261.22424	0.7
262.22778	1.5
263.23141	0.8
293.13776	1.0
301.09070	4.1
307.15353	1.0
309.70770	0.6
315.10965	2.3
327.10773	1.1
329.12466	0.7
353.27280	0.9
355.13660	0.8
355.27826	1.1
358.16840	0.8
358.66949	1.3
363.21609	1.4
369.15387	1.7
371.16925	4.2
373.11459	2.3
385.18640	1.6
413.17789	11.7
414.18619	1.0
415.04068	0.7
425.21365	3.2
429.17593	1.4
443.19058	1.1
453.21024	9.3
457.21069	0.8
463.26691	1.0
469.20514	1.2
483.22314	0.9
484.22720	3.4
485.20029	7.1
497.23523	1.4
499.21933	2.3
513.23151	0.8
535.29736	0.8
541.26270	4.2
553.30579	1.6
567.31451	23.7
568.31708	3.2
596.31641	15.0
597.32117	2.5
623.33136	1.1
625.31915	100.0
626.32294	7.0
628.30298	1.6
651.33600	6.3
653.34741	1.4
669.34583	1.9
697.34003	49.5
698.34174	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	697.376
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.57943	0.6
55.05493	0.7
57.03437	1.6
60.65201	0.6
61.02660	0.5
61.02927	3.2
64.21859	0.6
67.05508	3.8
69.03424	2.6
71.04987	2.4
73.02919	2.3
74.39149	0.5
79.05502	2.3
81.03414	1.4
81.07061	5.2
83.08604	0.6
83.76740	0.5
85.02905	3.2
91.03960	2.3
91.05470	2.0
91.98519	0.6
93.07046	3.6
95.08585	1.1
97.02896	3.4
98.22649	1.5
99.04455	0.8
101.02397	1.8
105.07063	0.7
107.08592	1.5
109.02875	0.9
109.10168	1.4
112.19241	0.6
117.06976	0.9
121.10107	1.0
127.03922	0.9
131.08606	0.8
133.10173	1.2
135.11693	0.8
142.14647	0.6
149.13316	2.1
151.11206	1.2
159.11728	1.1
183.13861	0.7
185.04305	0.7
187.13307	0.8
195.13942	0.7
195.80641	0.6
235.13005	1.0
243.08511	2.7
263.37714	0.6
267.15634	0.9
269.17419	0.7
389.26520	0.7
398.13602	0.6
413.17953	1.1
453.20993	7.8
454.21280	0.7
485.23801	6.1
567.31311	1.8
596.31824	1.8
625.31848	6.2
697.37671	100.0
698.38116	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	698.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01872	1.8
55.05510	0.8
57.03437	4.5
61.02931	6.0
64.58521	0.3
69.03430	13.8
69.11708	2.4
71.01332	0.4
71.04985	1.0
71.08640	3.7
73.02917	2.7
81.03414	5.4
83.01345	0.5
85.02905	84.4
86.03239	0.8
87.04475	1.2
91.03943	4.4
97.02893	23.7
99.04457	2.7
101.02386	0.5
103.03933	2.1
107.04971	0.4
109.02882	7.5
109.03639	0.5
110.03690	3.3
115.03925	0.8
121.06509	0.9
125.05994	30.1
127.03918	21.1
135.08141	0.4
141.41307	0.3
145.04959	40.3
149.05978	2.7
151.07559	0.7
163.06021	18.4
163.07454	0.9
175.07521	0.5
182.15437	0.4
191.06999	0.6
191.10620	0.4
195.13802	100.0
196.14163	2.2
204.08562	0.4
205.15871	0.3
207.13829	2.4
219.13797	9.2
231.13773	2.7
233.15388	1.2
235.13126	0.7
237.14832	5.8
257.15344	0.5
259.13434	0.4
261.14847	7.4
265.09235	0.6
271.08041	0.6
285.14841	0.8
289.09097	1.5
291.15829	0.5
303.15948	2.5
314.20761	0.4
321.13248	0.6
321.16928	9.6
322.17142	0.4
325.11346	4.9
326.11536	0.3
339.17999	1.9
350.22726	0.8
357.19098	1.8
359.23117	1.3
423.73080	0.3
463.30850	0.4
698.30823	0.7
698.36334	0.4
698.48456	8.2
698.98596	4.5
699.20825	0.4
699.47229	0.4
707.86145	0.4
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
50.32725	0.7
53.03950	0.8
55.05512	29.7
57.03175	1.1
57.03431	8.4
57.06823	1.5
57.07075	16.5
61.02929	24.4
67.05503	35.5
69.03416	4.0
69.07068	46.5
71.04978	2.9
71.08270	1.0
71.08636	12.3
73.02913	9.4
75.04473	3.3
78.15189	0.7
79.05491	17.2
81.03422	1.5
81.07056	49.2
82.07439	0.8
83.04969	1.2
83.08620	41.9
85.02902	30.1
85.06527	2.4
85.10181	6.4
86.39703	0.6
91.03958	25.6
91.05457	1.5
93.07043	24.3
95.04957	1.9
95.08607	49.2
97.02895	14.1
97.06535	9.1
97.10170	25.3
98.22837	3.6
98.23525	1.6
99.04419	2.0
99.08078	2.6
101.02390	1.1
105.07007	1.2
107.08587	18.3
109.02895	0.9
109.10157	25.0
111.08073	6.3
111.11718	11.2
113.09631	1.2
115.03941	1.0
115.07574	1.0
121.10140	41.8
123.11695	9.4
125.09618	3.1
125.13289	2.6
127.03912	11.0
127.11174	0.7
129.09070	1.1
129.12863	0.6
135.11693	30.8
137.13260	4.6
139.11252	3.5
143.10690	1.2
143.14294	1.3
145.04973	11.9
149.13260	14.1
151.14844	5.8
153.12729	3.7
157.12215	1.3
163.06017	21.1
163.14854	5.1
165.16415	5.0
167.14325	1.5
171.13763	1.0
177.16405	3.1
181.15797	1.2
185.15402	0.8
191.17940	3.0
204.08698	0.7
205.19583	1.3
213.18503	0.7
227.19978	1.1
247.24214	34.4
255.17676	1.0
265.25259	92.4
266.25552	2.4
283.26315	19.9
284.26782	0.8
319.15833	0.9
339.28922	100.0
340.29285	4.9
353.13220	0.7
357.29971	69.8
358.30219	2.8
390.65869	0.7
501.34204	4.8
639.79401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.3
57.03427	6.7
57.07080	14.9
60.00068	2.2
61.02923	28.5
63.05166	2.2
67.05503	37.5
69.07066	42.7
69.60078	2.1
69.60402	7.7
71.05011	3.3
71.08619	9.0
71.25960	2.3
73.02918	11.7
74.95570	2.9
75.62848	1.9
77.33706	2.3
79.05505	13.6
79.05876	2.2
81.07058	43.4
83.08620	32.9
85.02905	39.2
85.10169	5.3
91.03956	33.4
93.07050	19.9
95.08607	43.3
97.02887	15.5
97.06519	9.1
97.10166	24.6
98.23515	2.2
107.08620	13.9
109.02872	2.6
109.10160	24.8
111.08075	8.2
111.11714	10.9
115.03918	2.2
120.25533	2.5
121.10148	42.3
123.11734	8.2
125.09648	4.6
127.03908	10.5
135.11678	33.1
137.13206	4.0
145.04973	15.9
149.13174	11.7
151.14842	5.1
163.06006	28.9
163.14812	6.1
165.16406	5.8
167.14331	2.1
177.16318	4.7
191.17993	2.7
227.87300	2.2
240.86343	2.4
247.24252	32.6
265.25272	100.0
266.25580	3.5
283.26254	20.0
339.28943	96.8
340.29324	3.4
357.29971	75.2
432.90698	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	699.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45407	0.6
56.96291	1.3
56.96566	21.9
64.02470	0.6
67.05490	0.8
69.03425	0.6
69.87995	1.0
69.88316	1.3
71.95245	0.9
72.96017	1.2
75.02117	0.6
79.34966	0.5
81.75483	0.6
84.20253	0.6
84.96032	0.7
91.05469	0.7
93.07053	0.7
98.97601	1.6
100.99124	1.7
110.97542	0.7
111.98325	5.0
115.00681	1.3
116.98633	0.8
119.01734	0.8
123.01199	0.9
124.07606	0.9
129.99405	4.3
137.02776	1.5
146.45004	0.6
148.00430	3.0
149.60376	0.5
149.75693	0.5
151.04234	0.7
155.03801	1.0
155.09450	0.5
157.41162	0.6
167.03816	0.7
169.05357	1.0
171.03290	0.7
175.02737	1.0
183.03271	0.8
185.04828	2.6
189.04381	1.6
193.09027	1.8
201.04466	3.5
203.05861	2.8
207.06728	1.2
208.06886	1.3
209.08459	0.9
211.06407	3.1
211.10034	2.0
213.07988	0.7
219.05420	2.0
221.08467	9.9
223.06389	7.7
229.07504	2.1
239.09552	100.0
240.09933	2.0
241.07475	76.9
242.07803	1.2
253.17931	1.7
254.18323	1.1
257.10620	72.9
258.11017	1.5
259.08539	44.4
260.09048	0.8
262.11151	5.4
264.09009	2.6
265.07571	2.2
280.12155	2.3
281.10550	4.3
282.10147	1.6
283.08530	22.4
299.11539	1.0
301.09595	50.0
302.10004	2.2
319.10684	3.8
324.11087	3.4
325.09555	19.5
343.10641	53.7
344.11029	1.2
353.11765	0.7
366.12296	3.9
369.09091	23.0
370.09802	1.0
387.09641	15.8
410.11209	2.1
432.19641	0.8
491.19513	9.9
551.21680	25.7
552.21606	1.8
561.09351	0.8
569.22791	1.2
595.20135	1.9
611.23926	6.5
643.54187	0.6
655.22552	1.6
699.21405	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.2
67.05500	0.2
70.94780	0.3
81.07056	0.2
88.99229	0.2
98.14292	0.2
120.32439	0.2
158.24512	0.2
173.82503	0.3
185.04282	0.7
203.05244	1.7
242.80838	0.2
259.07925	1.0
299.91571	0.2
301.19983	0.3
341.65005	0.3
347.09598	1.1
358.12241	0.3
365.10547	3.1
365.14890	0.2
421.12952	1.2
537.30334	16.7
538.30615	1.3
569.31567	0.3
598.31995	0.3
627.32568	1.7
653.33643	0.3
687.42072	0.3
699.35559	100.0
700.24414	0.4
700.35858	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	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69871	0.2
53.45247	0.2
71.19214	0.4
74.66485	0.2
91.07960	0.3
115.15585	0.4
121.60719	0.2
159.26869	0.3
185.04247	0.5
203.05299	0.3
259.07944	0.4
347.09720	1.0
510.61090	0.3
537.30359	19.3
538.30719	1.8
699.35583	100.0
700.35864	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	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05506	0.9
57.03445	1.6
59.05006	0.8
61.02926	3.1
67.05504	2.6
69.03426	1.7
69.07065	1.0
70.67731	0.5
71.01359	0.8
71.04995	1.5
72.64345	0.3
73.02906	2.5
79.05500	2.8
79.13509	0.3
81.03410	3.2
81.07053	1.8
83.04993	0.5
83.08621	0.8
85.02905	3.4
85.06561	0.5
87.04452	0.6
90.90852	0.3
91.03957	2.5
91.05494	2.1
91.05995	0.3
93.07032	2.3
95.04970	1.3
95.08613	0.6
97.02908	3.3
97.06544	1.0
97.10168	0.5
99.04468	0.7
101.02383	1.3
103.03936	0.5
103.68925	0.3
105.07056	1.2
107.08592	1.6
109.02876	0.6
109.10135	0.6
111.08044	0.4
117.07013	0.3
119.08602	1.0
121.10139	1.2
127.03932	1.0
131.08563	0.8
133.10144	1.2
135.11694	2.6
145.04897	0.4
147.11702	0.7
149.09680	1.3
157.10114	0.6
175.11237	0.6
181.12250	0.4
193.12245	1.4
199.13565	0.3
203.05359	0.5
211.16377	0.3
221.11414	0.6
225.14819	0.4
243.08434	1.7
255.16046	0.3
267.16010	0.8
277.14255	0.4
283.15189	3.2
339.17865	0.7
439.19357	9.3
440.19687	0.4
469.20639	1.0
471.21878	0.9
484.09012	0.4
501.23001	9.1
560.75641	0.4
699.35547	100.0
700.35864	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	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
55.05515	0.6
57.03433	1.2
60.90210	0.3
61.02930	3.9
67.05509	3.4
69.03437	1.9
69.07076	0.6
69.13611	1.8
71.01347	0.5
71.04990	0.8
73.02910	2.5
79.05489	2.2
81.03421	2.1
81.07061	3.4
82.33309	0.3
83.04987	0.8
83.08630	1.0
85.02913	4.1
85.06559	0.4
91.03963	2.2
91.05492	1.8
93.07047	3.2
95.04980	1.0
95.08611	1.1
97.02894	3.1
97.06558	0.6
98.22738	0.7
99.04469	0.6
99.13135	0.3
101.02375	1.3
105.07052	0.9
107.08619	0.9
109.02871	0.7
109.10197	0.4
111.04399	0.4
111.08121	0.7
117.07057	0.4
119.08591	0.7
121.10141	1.7
127.03933	1.5
129.06984	0.4
131.08580	0.8
133.10185	0.9
135.11700	0.4
147.11787	0.4
149.09663	0.9
149.13292	1.2
149.78053	0.3
157.10135	0.5
159.11690	0.4
167.10789	0.3
175.11295	0.3
185.04350	0.6
193.12299	0.9
193.24501	0.3
195.13770	0.4
235.13095	0.7
243.08415	1.7
251.12663	0.9
253.14076	0.4
267.15814	0.5
269.13708	0.9
269.17691	0.4
427.19333	1.4
443.18991	3.3
453.20966	7.4
453.26941	0.5
454.21591	0.3
469.20474	2.7
471.22168	0.8
487.21530	3.7
525.23138	0.3
537.30804	0.4
655.33087	2.8
681.34357	1.4
695.69647	0.3
699.35590	100.0
700.35858	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	700.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34044	2.0
60.35477	1.9
69.52327	8.4
71.18681	1.6
79.98698	1.7
80.44800	1.8
81.03434	1.6
91.05443	2.4
105.07043	2.7
119.04936	2.2
121.02843	2.6
121.11281	2.0
122.03683	3.0
125.05997	2.3
135.04443	2.0
137.05975	51.0
147.04402	3.1
151.03928	5.9
161.05998	2.0
162.06807	2.4
173.05960	3.9
175.03844	3.7
178.07777	2.8
181.04964	2.6
186.03156	4.6
194.07332	2.0
201.05464	53.6
201.07303	3.7
203.06950	3.0
205.06508	9.9
206.07326	6.1
209.04430	8.3
213.05496	2.9
217.06451	2.6
221.06102	2.9
222.06740	6.4
223.07494	2.1
231.06511	3.7
233.06021	10.8
234.06717	14.5
235.07494	3.3
237.09039	8.8
245.06033	4.3
247.07660	3.5
248.08263	2.3
249.09169	5.2
250.06256	6.2
251.07101	4.4
261.05426	3.5
262.06287	13.1
263.07089	3.0
264.07898	5.3
265.08612	16.5
267.06702	2.4
273.05405	3.4
277.05118	2.9
277.08603	14.0
278.05884	4.4
279.06668	2.6
290.05756	22.3
292.07318	11.6
293.08087	16.0
294.08893	3.9
297.11072	1.9
305.08081	38.0
307.06345	4.3
307.09604	25.3
308.10016	2.4
319.09619	3.3
322.08334	3.2
325.10687	96.7
337.10703	100.0
338.11258	3.1
355.11746	24.2
503.20782	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	700.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01871	6.6
55.05507	0.8
57.03431	3.0
61.02931	3.7
67.05497	1.2
68.99791	2.9
69.03431	19.7
71.01343	0.7
71.04979	2.0
71.41834	0.8
73.02927	4.7
73.77003	0.6
79.05482	1.9
81.02961	1.3
81.03422	18.5
81.07039	0.9
83.05009	0.9
85.02907	53.3
86.03230	1.0
87.00830	21.6
91.03954	0.8
91.05501	1.7
93.03403	4.9
93.07058	0.9
95.04958	1.9
97.02897	21.4
99.04451	7.3
101.06046	0.8
103.05495	2.4
105.01874	18.6
105.03376	1.5
105.07041	2.8
107.04958	4.0
109.02886	21.5
109.06521	0.8
111.04472	1.0
115.05463	2.8
117.01834	1.6
117.07038	0.8
119.04930	0.8
121.06484	1.5
123.04436	1.6
125.05972	1.5
127.03915	32.1
129.01830	2.5
130.07472	0.7
131.04929	8.2
133.06491	19.5
137.05974	2.6
139.03868	1.1
141.01808	0.9
141.05472	1.4
145.04971	12.8
147.02866	1.8
147.04422	2.3
149.05989	5.7
151.03914	1.7
153.01881	0.7
153.05447	0.7
159.02924	6.8
159.04420	21.8
161.05986	18.4
163.03906	15.2
163.07530	3.5
165.05486	2.0
167.07034	4.8
169.04987	3.1
171.93372	0.8
173.05994	1.9
175.03914	2.1
177.05464	20.0
178.02615	1.5
178.06247	3.2
179.03363	7.2
179.07024	4.3
181.05000	1.8
181.08606	6.3
185.04486	4.5
187.03841	1.6
189.03906	1.8
189.05457	1.6
191.07042	7.2
193.04967	37.1
193.08598	29.1
194.05362	1.2
195.06526	14.7
205.04976	7.3
207.06567	1.5
209.04504	1.5
209.08096	8.5
211.05992	11.9
213.03911	2.9
219.06572	1.9
223.06033	17.4
231.04994	8.6
235.05968	1.7
237.07584	30.9
238.07930	1.3
241.07034	5.7
246.23058	0.7
249.06000	3.4
253.07117	4.4
255.08643	76.4
256.09012	2.5
265.07245	0.9
271.08221	4.8
273.09695	100.0
274.10010	2.4
279.08670	1.1
345.09625	2.0
363.10681	1.7
449.11066	0.8
467.11908	2.0
485.12756	1.5
503.14063	1.6
606.15265	0.7
645.23480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89423	0.4
53.03952	0.4
55.05510	4.5
55.25607	0.3
57.03440	3.8
57.07076	36.6
57.31400	0.3
57.96556	0.3
61.02927	14.1
65.03938	0.6
67.05508	11.5
69.03414	1.8
69.07065	8.9
69.14211	0.3
69.50118	1.5
71.04990	0.7
71.08630	30.9
73.02914	5.1
75.04482	2.3
79.05479	0.8
81.03411	0.6
81.06569	0.7
81.07055	16.9
83.08620	9.9
85.02907	17.2
85.06544	0.7
85.10181	19.1
89.06033	0.7
91.03956	14.7
93.07043	1.0
95.08606	26.2
96.08916	0.5
97.02894	7.6
97.06522	0.4
97.10168	10.6
99.04461	0.9
99.08107	0.7
99.11731	1.6
103.07575	0.5
109.02900	0.4
109.10154	13.3
109.10896	0.8
111.11713	4.5
113.13263	0.6
115.03910	0.9
121.10155	0.7
123.11711	5.0
124.99967	0.6
125.13268	0.9
127.03925	5.7
135.11618	0.4
135.80107	0.3
137.13193	2.4
140.75087	0.3
145.04948	7.4
146.05411	0.4
151.14781	0.9
153.16377	0.5
163.06023	14.5
184.07327	1.5
249.25816	1.4
267.26822	19.3
268.27176	0.8
285.27829	4.1
320.59665	0.4
326.30365	0.7
341.30490	100.0
342.30777	5.7
359.31546	38.8
359.36349	0.6
360.31921	1.7
414.70761	0.4
429.99353	0.3
503.36417	0.8
700.44617	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	700.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.6
57.03429	10.9
58.62829	2.8
59.32538	2.5
60.08162	3.9
61.02917	6.1
67.05505	54.3
69.07064	11.0
69.22920	16.8
69.35219	3.4
71.04992	5.9
79.05505	16.5
80.98597	2.8
81.03410	10.6
81.07056	33.5
83.08617	10.9
85.02885	4.8
86.09695	22.3
91.05482	12.2
93.07058	21.0
95.05009	3.4
95.08609	23.3
97.02882	3.9
97.10157	3.9
98.98436	3.9
105.07037	6.3
107.08607	8.4
109.10147	47.7
119.08598	10.8
121.10150	10.6
124.99998	18.5
131.08588	3.8
133.10120	6.2
135.11681	4.8
137.09653	3.3
145.10155	4.1
147.11589	4.3
149.13274	4.1
155.10574	2.9
163.05598	3.1
173.11806	16.1
173.13092	3.5
184.07358	86.3
193.12315	4.0
229.14354	100.0
243.21008	5.3
261.22147	18.2
267.15897	11.1
311.25812	10.8
335.25787	76.0
336.26218	6.1
341.30289	6.3
416.16641	3.3
475.08740	3.6
489.35739	50.3
503.37238	10.5
700.44897	11.5
701.46442	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	701.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51334	1.0
88.07646	0.3
94.79592	0.2
98.23481	0.5
149.02365	0.5
185.04167	1.2
203.05310	0.3
256.26318	0.3
259.08005	0.7
266.77594	0.3
347.09433	1.1
355.22916	0.2
421.13535	0.3
451.80225	0.3
476.85815	0.2
539.31885	21.0
540.32269	2.2
701.37134	100.0
702.37561	10.8
702.47699	0.2
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
67.05504	0.2
69.95869	0.3
69.96222	0.3
75.33442	0.1
88.32494	0.1
99.96188	0.2
113.36937	0.2
121.07581	0.1
127.77448	0.1
149.02287	0.2
185.04272	0.6
193.04979	0.2
203.05263	1.7
205.78619	0.2
256.26523	0.3
259.07880	1.0
305.08572	0.2
344.61417	0.2
347.05820	0.2
347.09415	1.1
365.10522	3.3
421.13272	1.0
429.12585	0.2
539.31897	18.2
540.32062	1.2
701.37115	100.0
702.37543	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	702.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.1
51.02360	0.1
53.03952	0.1
55.01866	0.1
56.98473	0.1
57.03439	0.1
69.03429	0.8
71.44978	0.1
77.03918	0.1
79.05482	0.2
80.21131	0.1
81.03438	0.4
81.07057	0.2
83.01337	0.2
85.02911	0.4
91.05472	0.2
92.99026	0.1
93.49140	0.1
95.04980	0.5
97.02892	100.0
98.03230	1.4
99.04462	0.1
105.03390	7.9
106.03694	0.1
108.79594	0.1
109.02876	0.1
111.04410	0.1
115.03942	0.2
119.04916	0.1
123.04442	0.2
125.02344	0.4
127.03888	0.1
137.05977	0.5
139.03923	0.3
151.03894	0.3
154.00693	0.1
157.04987	0.1
163.03899	0.1
163.07588	0.1
165.05501	0.1
181.04919	0.1
193.04956	1.2
193.49190	0.1
195.06490	0.1
201.05466	0.2
211.06018	0.3
219.06522	5.5
220.06895	0.1
229.07121	0.3
237.07570	6.1
238.07892	0.1
249.07841	0.1
315.08612	0.1
333.09601	0.6
334.09866	0.1
351.10751	2.4
352.10950	0.1
369.11734	0.6
381.11710	0.2
427.07581	0.1
647.26971	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	702.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
67.05492	0.5
69.03413	0.5
74.67256	0.4
81.03442	0.5
81.07054	0.7
85.02891	1.0
87.00055	0.4
91.05479	1.2
93.07017	0.4
95.08602	0.5
97.06490	0.6
98.23366	0.4
101.38057	0.4
103.05461	0.5
103.32751	0.4
105.03369	0.4
105.07031	0.6
107.04964	1.3
109.06519	0.5
111.04523	0.5
114.66232	0.5
119.04950	0.6
121.02831	1.2
121.06475	0.9
123.04411	0.5
131.04958	0.7
133.02885	0.8
133.06520	0.9
134.03543	0.5
135.04330	0.4
137.05963	11.5
138.03050	0.9
143.04984	0.7
143.13698	0.4
147.04433	1.0
147.08109	0.5
149.02316	2.2
149.05975	1.8
150.03123	5.5
151.03937	0.9
151.07516	1.5
152.04688	0.4
153.05457	1.3
159.04457	1.1
160.05096	0.4
161.05966	8.2
162.03125	0.7
163.03896	1.2
163.07465	1.9
165.05490	1.2
165.07004	2.2
166.02626	1.1
167.03314	0.6
167.07098	0.7
167.08519	0.5
175.03896	1.4
175.07520	1.9
176.04716	0.5
177.01831	8.9
177.05482	1.7
179.03418	0.9
179.07080	0.9
179.08475	0.9
180.00554	0.5
181.04951	4.0
182.07246	1.0
187.03888	1.1
188.04681	3.9
190.02614	0.5
191.03386	5.1
191.07025	2.1
193.04929	1.2
193.06483	4.3
194.02110	10.2
194.07169	0.5
195.02831	2.9
197.04428	1.1
197.09598	0.9
203.07031	16.7
204.04173	0.6
204.07375	0.6
205.04887	3.0
205.08569	6.5
207.02827	0.6
207.08118	0.8
209.04445	100.0
210.04773	3.0
210.06775	2.5
211.07497	0.6
215.03444	0.5
215.06990	0.7
218.02179	0.6
219.03030	0.6
219.06511	1.6
221.04541	0.9
221.06110	6.6
223.02357	0.5
223.05978	1.6
224.08340	1.6
225.04037	0.7
225.09094	7.3
227.07004	0.5
229.04944	0.5
233.04471	4.1
234.06673	0.7
235.07674	1.2
237.03789	0.8
238.06273	1.6
239.10735	0.9
245.04471	0.7
247.05951	1.4
249.03941	0.7
249.09077	1.5
251.05330	6.6
252.07802	2.1
253.08583	11.9
254.09277	0.9
255.06570	0.7
255.10184	0.5
262.06131	0.6
263.05515	1.8
265.08636	0.6
266.09381	1.1
267.10165	7.3
270.08871	0.8
273.03894	0.6
275.05441	2.6
277.08752	2.9
280.07336	1.4
283.09616	0.7
285.11200	17.8
286.11505	0.6
287.12735	1.2
290.27969	0.4
291.04929	4.6
293.06467	2.7
294.08890	2.4
295.09628	4.2
297.11166	2.9
309.05865	0.6
309.11148	5.8
311.07706	1.4
312.09967	1.1
323.11267	0.6
327.12250	51.7
328.12622	2.7
329.13824	7.7
339.12177	2.0
345.13272	1.8
351.07187	1.1
351.11942	0.7
357.13141	0.8
369.13196	0.7
387.14368	2.3
393.13080	0.6
411.14166	1.8
427.96423	0.4
429.15521	5.2
447.16595	4.4
455.13318	0.4
513.14001	0.9
530.32404	0.4
531.14764	1.5
546.61340	0.5
619.17944	1.4
637.19098	11.2
638.19385	0.8
655.20081	3.6
701.49768	3.8
702.49329	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	702.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22105	1.5
51.84785	1.6
53.03945	2.6
55.01854	3.2
55.05514	47.0
57.03445	14.4
57.07080	10.1
59.04993	1.9
61.02924	3.3
67.05506	51.4
69.03436	6.7
69.07067	14.9
71.05006	1.6
71.08625	4.6
73.02924	3.0
77.03961	1.6
79.05492	39.1
79.07163	1.4
81.03420	2.6
81.07057	44.1
83.04986	4.8
83.08626	29.1
85.02918	2.9
85.10178	2.2
87.04480	3.9
89.06039	16.9
91.05470	12.8
91.12791	1.4
93.07044	34.4
95.04980	2.7
95.08612	34.6
97.06568	2.7
97.10172	64.2
98.23543	2.0
105.07014	10.6
105.78794	1.6
107.08595	34.8
109.06495	1.6
109.10165	19.2
111.08099	4.4
117.07025	7.3
119.08586	8.2
121.10160	15.4
123.11702	5.3
125.09641	63.1
131.08574	6.6
133.08603	7.2
133.10136	6.6
135.08037	7.1
135.11687	7.9
137.13251	1.7
143.10693	4.9
145.10153	6.6
147.11708	6.7
149.13286	5.2
153.09109	2.5
159.11700	4.3
161.13274	3.5
163.14857	5.4
171.10207	4.4
173.13240	4.4
175.14845	1.7
177.11305	2.9
184.07381	4.6
187.14838	3.4
189.11214	45.2
189.12817	2.8
197.07100	1.4
227.12785	77.1
227.20055	90.3
228.20335	2.0
233.22687	1.6
241.50029	1.7
243.21068	5.8
245.13852	100.0
246.14223	1.7
261.22153	26.0
264.02344	1.6
267.16187	2.0
271.22681	2.5
279.23245	3.2
293.97870	1.8
317.24799	4.7
335.25806	88.9
336.26031	4.1
422.61093	1.8
431.31320	2.0
487.34335	7.6
505.35269	65.2
506.35553	6.0
519.87103	1.6
523.36169	3.8
702.39984	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01867	3.9
55.05510	45.2
57.03439	13.9
57.07072	2.8
59.05003	1.9
60.08178	2.3
61.02927	2.3
65.03921	1.2
67.05503	48.5
69.03438	6.5
69.07070	13.4
69.35124	5.1
73.02901	1.0
77.96474	1.0
79.05491	32.4
81.03394	2.7
81.06571	2.3
81.07053	44.1
83.04965	5.5
83.08616	30.7
85.02906	3.4
85.06514	1.9
86.09711	10.4
91.03958	1.2
91.05488	10.5
93.07047	31.8
95.04960	2.4
95.08025	1.7
95.08613	24.4
97.02897	2.8
97.06531	2.9
97.10167	62.7
101.09670	1.8
104.10697	0.9
105.04526	1.7
105.07023	9.2
107.08591	32.4
109.06517	1.8
109.10157	15.7
111.08081	2.3
117.07028	4.9
119.08587	6.7
121.10146	14.3
123.11657	5.1
125.00001	9.6
125.09628	58.2
126.09969	1.2
131.08583	7.3
133.10107	7.3
135.08052	5.4
135.11703	9.4
137.13222	2.1
143.10648	1.4
145.10127	4.6
147.11670	4.0
149.13271	6.5
153.09102	4.4
159.11708	4.0
161.12025	1.0
161.13280	3.2
163.14787	2.7
171.10133	4.0
173.13266	3.3
175.14819	1.7
184.07333	33.7
189.11218	43.3
227.12764	81.4
228.13037	2.7
243.21135	4.4
245.13838	100.0
246.14172	2.2
261.22147	22.5
267.15585	1.2
279.23102	2.9
292.20575	1.0
317.24698	2.8
335.25797	68.2
336.26196	3.9
343.36404	1.0
413.30823	1.5
431.31326	1.8
436.47034	1.1
487.34192	7.0
505.35233	40.0
506.35574	2.8
523.36224	3.3
525.24835	1.3
529.38654	3.5
607.23907	1.2
609.22443	1.6
624.25739	1.9
670.25812	1.7
702.28125	3.2
702.43121	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	703.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	0.4
69.64628	0.6
77.94389	0.2
81.07051	0.2
109.66653	0.2
162.90753	0.2
185.04250	0.6
198.16711	0.2
203.05275	2.1
209.10776	0.4
223.12253	0.2
224.13107	0.3
231.54744	0.2
237.13943	0.7
238.14606	0.2
259.07867	1.3
266.14389	0.2
305.08350	0.3
341.11380	0.3
341.25668	0.4
347.09387	1.4
365.10559	3.3
410.99045	0.2
421.13159	1.1
506.35797	0.3
541.33466	22.7
542.33923	1.3
593.23340	0.3
653.25989	4.0
654.26123	0.6
685.28754	0.3
703.38721	100.0
704.39075	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	703.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92271	0.7
69.17912	2.0
69.18318	1.2
72.70446	0.6
97.79362	0.6
98.22727	1.6
98.23407	1.8
105.10122	0.6
128.36957	0.6
145.79277	0.7
252.14038	0.8
313.59192	0.8
347.09299	1.1
541.33441	22.2
542.33752	1.8
703.38678	100.0
704.39014	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	704.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03935	1.9
55.01865	1.2
55.05512	8.9
57.03444	3.4
57.07068	1.2
59.04975	0.5
61.02917	1.3
61.69170	0.4
65.03930	1.7
66.53232	0.4
67.05504	40.8
69.03437	0.9
69.07068	6.9
71.04992	12.5
72.05302	0.4
73.02915	0.5
73.06557	1.2
77.03926	0.7
79.05490	32.5
81.03418	3.2
81.07055	52.4
82.07371	0.5
83.04985	6.3
83.08623	5.9
84.46697	0.5
85.02923	1.0
85.06541	5.0
87.04478	0.5
91.05479	29.2
92.05813	0.6
93.07043	31.1
94.07394	0.7
95.04966	8.4
95.08606	12.7
97.02878	0.9
97.06527	4.3
97.10171	2.6
98.22676	0.8
99.08089	0.5
103.05502	0.6
105.04517	1.8
105.07029	19.0
106.07442	0.4
107.04964	2.3
107.08592	11.5
109.06509	3.6
109.10153	4.6
111.08089	1.7
112.88004	0.4
114.40312	0.5
115.05524	0.4
117.06993	4.1
119.08573	9.0
121.06513	1.5
121.10154	5.2
123.08078	3.1
123.11707	6.2
127.07533	0.5
128.06184	0.6
129.06989	7.1
131.08540	3.0
133.10124	12.2
135.08090	0.9
135.11697	3.1
143.08556	3.1
145.10138	3.7
147.08092	0.9
147.11679	13.0
149.13245	4.9
151.11182	3.1
151.12236	0.4
159.11670	3.3
161.09645	1.8
161.11095	0.4
161.13255	4.2
163.11174	0.7
169.12180	0.5
171.11676	9.6
177.12772	0.9
183.13799	1.5
184.07339	0.8
187.13332	2.1
189.12767	3.8
195.13837	1.4
207.13773	8.1
207.15572	0.6
209.56578	0.4
225.14874	1.3
257.17389	0.6
269.17474	4.1
273.37799	0.5
273.41599	0.5
281.17474	17.3
282.17838	0.6
301.20065	4.1
403.28479	0.6
413.22098	0.7
449.28973	31.2
450.29471	2.0
457.29691	0.6
463.30438	4.4
475.30548	100.0
476.30814	5.3
507.33148	21.9
508.33347	1.3
619.34900	1.4
651.37054	2.3
678.73322	0.4
705.38635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05518	6.4
57.03439	2.5
63.05424	1.5
63.81535	1.6
65.03926	2.0
67.05506	33.5
69.07071	4.9
69.59484	6.3
71.04993	8.0
73.06557	1.5
79.05491	27.7
81.03403	3.2
81.07055	42.4
83.04992	5.7
83.08622	5.0
85.06553	4.6
86.09709	2.0
91.05481	22.4
93.07046	28.8
95.04962	8.2
95.08604	10.8
97.06537	3.2
97.10172	2.3
99.08089	2.0
105.04473	2.2
105.07021	16.8
107.04955	2.3
107.08610	10.6
109.06532	3.4
109.10146	3.2
117.07001	3.8
119.08593	9.0
121.10139	5.1
123.08066	2.1
123.11732	4.8
129.07008	6.0
131.08569	3.6
133.10147	10.2
135.11717	2.7
143.08575	3.1
145.10222	2.2
147.11679	10.2
149.02357	3.0
149.13216	3.6
150.02667	1.7
151.11209	2.8
159.11740	3.1
161.13281	4.6
171.11702	8.1
173.04272	1.5
183.13687	2.0
184.07385	4.2
189.12733	2.7
193.05003	3.7
207.13840	7.1
212.01933	1.9
225.14822	2.2
269.17493	2.6
269.71231	2.3
281.17316	9.5
301.20160	5.0
449.28983	22.1
463.30466	3.6
475.30557	100.0
476.30756	6.8
496.83612	1.7
507.33209	18.0
603.63092	1.6
651.36792	3.0
678.72900	1.9
704.39124	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	705.1853
Annotation	Occidentoside
Peak:m/z	Relative Intensity
50.01216	0.3
50.52850	0.2
79.35323	0.3
98.37603	0.3
163.69569	0.3
179.10335	0.3
209.50484	0.3
444.06018	0.3
705.18463	100.0
706.18848	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	705.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23849	0.4
69.99654	1.0
71.19795	0.4
98.23389	0.5
101.72995	0.3
112.89609	0.4
171.55309	0.4
191.57402	0.4
271.72232	0.3
343.42987	0.4
362.99011	1.3
381.07968	2.5
390.98514	0.5
495.76990	0.4
520.24249	0.4
705.18457	100.0
706.18646	4.3
716.39838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08057	0.5
55.05511	1.2
57.03419	0.5
61.02929	0.6
67.05508	3.0
69.03423	0.8
69.07069	1.0
75.88755	0.5
79.05490	1.6
81.03414	0.9
81.07054	2.5
83.04949	0.6
83.08606	1.1
85.02891	0.8
86.09718	0.6
91.05496	2.3
93.07041	2.1
95.04994	0.6
95.08595	2.4
97.02924	0.8
97.10182	0.9
104.60142	0.5
105.07038	2.0
107.08617	1.4
109.10159	1.3
117.06953	0.6
119.08594	1.6
121.10151	1.0
129.07001	0.6
131.08539	1.0
133.10155	1.2
145.10083	0.7
149.09557	0.7
157.10191	0.7
169.10164	0.8
184.07478	1.2
196.75615	0.5
256.26376	0.8
281.10645	1.2
281.87561	0.5
299.11700	0.8
383.41614	0.6
387.04529	0.6
457.36911	2.2
476.31104	0.8
481.18073	1.4
499.18423	1.6
525.35870	1.1
543.37042	3.0
655.13440	0.6
705.32288	100.0
706.32703	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	705.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
57.03419	0.5
61.02913	0.8
67.05505	2.8
69.03420	1.0
69.07050	0.8
70.12509	0.9
70.12847	1.0
73.02906	0.8
79.05498	1.5
81.03421	1.3
81.07050	2.5
83.08620	1.0
84.99230	0.5
85.02890	0.9
85.06041	0.6
91.05472	2.0
93.07038	1.3
95.04971	1.4
95.08615	1.7
97.06577	0.5
98.23384	0.8
105.07047	1.3
107.08598	1.5
109.10165	0.9
117.07006	0.8
119.08575	1.8
129.07016	1.0
131.08553	0.9
133.10100	0.9
145.10114	0.9
147.11682	0.6
157.10179	0.7
176.45059	0.5
182.91963	0.6
281.10568	1.3
349.99704	0.6
421.26706	0.7
481.18298	1.0
499.18533	1.7
525.35431	0.7
543.36731	5.1
591.36652	0.7
705.32233	100.0
706.32513	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	705.4031
Annotation	Voacamidine
Peak:m/z	Relative Intensity
50.09904	0.2
55.05508	0.4
57.03452	0.3
58.19024	0.2
60.08162	0.9
67.05508	0.8
69.64671	1.0
71.07379	0.4
79.05516	0.3
81.07054	0.8
82.57785	0.2
83.08599	0.3
86.09702	3.5
87.04502	0.4
93.07071	0.4
95.08591	0.4
97.10142	0.5
98.10494	0.3
98.23370	0.5
98.98466	0.5
104.10799	0.3
109.10174	0.2
124.99984	2.7
125.09615	0.4
145.72688	0.3
152.02376	0.2
152.55186	0.3
184.07343	13.3
185.04289	0.7
194.09317	0.2
203.05232	0.3
227.12880	0.5
228.13034	0.3
259.08026	0.6
337.27502	0.5
338.27878	0.3
347.09512	1.3
473.83109	0.2
508.30170	0.2
508.37659	0.8
543.35022	23.0
544.35425	1.3
705.40289	100.0
706.39984	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	706.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
69.03415	0.4
69.33363	1.4
69.33765	0.9
73.02910	2.9
79.05498	0.9
81.03397	0.5
84.80867	0.4
85.02932	0.8
91.05483	2.1
94.04219	0.4
95.04980	0.5
95.82835	0.4
97.02897	0.9
98.71355	0.4
103.05457	0.6
107.04960	0.7
109.06477	0.7
115.05455	0.7
119.04964	2.9
121.06466	0.7
122.03641	2.0
129.00772	0.4
129.06999	2.5
131.04918	1.5
131.08580	1.3
133.02861	1.9
133.06543	0.4
137.05977	39.2
138.06323	0.8
139.03874	0.8
141.06953	0.6
143.04842	0.5
143.08563	0.8
144.05707	0.6
145.06432	0.5
145.10130	0.7
147.04422	2.3
147.08028	0.7
149.05989	2.4
151.07529	4.8
153.05492	0.9
154.07738	0.4
155.08556	1.1
157.06511	1.9
158.07263	0.7
159.04460	0.5
159.08116	2.1
161.05991	5.1
161.09634	1.2
162.06766	0.5
163.07562	2.3
165.06972	0.7
167.07098	0.5
170.07353	0.6
171.08031	1.4
172.08870	0.7
173.05925	0.5
173.09584	0.5
174.06784	1.6
175.07574	3.4
177.05513	1.4
179.07031	0.9
181.06529	1.1
182.07269	0.7
183.08063	0.7
184.08850	0.6
185.05960	0.8
185.09651	2.0
186.06807	0.9
187.07535	5.4
188.08279	0.6
189.09076	3.7
191.07037	1.8
191.10675	0.5
194.07301	0.6
195.08055	0.9
197.05997	0.5
197.09610	2.3
198.06772	3.5
199.07512	2.8
199.11234	0.5
200.08253	0.9
201.09096	2.5
203.08597	0.5
203.10670	0.5
205.08582	0.7
210.06717	0.6
211.07545	0.6
212.08319	1.2
213.09087	9.6
215.10629	2.0
217.08482	2.5
219.08150	0.8
219.10104	3.9
225.09187	3.2
227.10638	1.2
231.08130	0.7
231.10216	0.8
243.10149	12.3
244.10521	0.6
245.09618	0.7
245.11777	1.8
247.07661	0.6
248.08350	0.9
255.10182	1.8
257.09558	0.6
261.09058	1.0
261.11316	1.6
263.10812	1.3
265.08676	0.5
273.11237	22.4
274.11768	0.8
276.07831	0.8
277.08624	1.2
277.12399	0.8
279.10184	1.1
280.10867	0.7
283.09662	0.7
285.08923	0.7
289.08737	0.9
289.12122	0.9
290.09686	0.6
291.09888	2.3
292.10730	0.5
293.11761	0.7
295.09613	0.5
296.10205	1.0
297.11136	0.7
302.09335	0.6
303.10165	1.2
305.11725	1.2
307.09711	2.3
307.12759	0.5
308.10324	1.0
311.12677	1.2
315.10480	0.5
317.11728	1.5
320.10431	1.0
321.11185	1.8
322.11908	0.8
323.12741	2.3
325.10837	0.6
325.14343	0.9
333.11337	1.0
334.12054	0.7
335.12796	2.0
337.14337	0.7
339.12173	0.9
341.13818	4.7
347.13065	0.5
349.14291	2.9
353.13574	2.3
354.14557	1.6
361.14517	0.7
367.15399	8.0
379.15332	4.5
381.16968	1.3
385.16580	0.9
397.16452	100.0
398.16815	5.8
415.17432	2.8
466.94330	0.5
521.21838	0.6
706.19763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.05507	8.1
65.03941	4.1
69.03441	2.5
79.05498	7.7
80.05023	2.0
81.03413	11.3
81.07034	2.1
82.06577	49.5
85.02902	2.8
91.05479	85.6
92.05840	0.9
93.07055	0.8
93.37691	0.9
94.06573	1.4
95.04986	1.0
95.08576	1.0
95.98823	0.8
96.04443	0.8
96.08125	27.7
97.02892	2.7
107.04941	1.6
109.02888	3.2
111.27587	0.9
116.10751	1.2
122.06062	1.8
123.04380	0.8
124.07587	100.0
127.03922	3.4
129.07024	1.2
131.04900	1.0
133.55876	0.8
137.05971	4.9
139.03931	2.7
142.08627	58.5
151.03894	1.0
151.07564	1.4
161.05962	1.4
163.07547	5.1
166.08540	1.1
167.03355	6.8
172.11217	3.7
175.07524	2.0
177.05475	1.0
177.09076	1.0
184.09723	3.7
185.04507	0.8
202.10786	1.1
203.07095	2.4
207.06384	1.0
212.16548	1.1
214.10823	1.7
217.08565	1.8
232.13371	3.0
244.11800	1.5
250.10751	1.9
253.08525	1.9
267.10281	1.2
268.11786	17.7
274.70126	1.0
283.15463	1.2
285.11313	2.3
286.12851	23.0
304.14001	1.4
309.11218	1.2
327.12210	4.1
331.15515	1.1
334.16666	1.9
346.15411	1.2
351.12335	1.3
373.12793	0.8
376.17502	1.4
394.18582	25.1
395.19144	1.2
453.15298	1.9
454.20963	1.8
471.16586	2.5
489.17261	1.1
490.19125	7.0
580.23621	2.7
598.24915	22.8
599.25220	1.5
706.30585	87.3
707.30768	6.2
725.62054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53406	0.4
56.02709	0.4
56.05016	0.5
65.03938	1.9
66.46119	0.4
70.06595	4.5
70.20209	1.2
72.04527	1.5
72.08160	3.4
79.05481	0.5
80.70732	0.5
81.07052	0.6
84.08142	2.7
85.02905	0.6
89.03906	8.4
91.05473	12.2
93.07044	0.6
105.03368	0.4
105.07071	0.5
110.09644	0.6
111.43588	0.4
112.07610	3.2
112.11239	1.4
113.07133	1.6
113.10770	1.6
114.09159	7.9
117.03374	29.2
118.03665	0.5
119.04934	23.0
123.04443	0.8
124.05187	0.7
124.82582	0.4
129.10193	0.5
131.11798	1.0
133.02850	4.0
134.03616	1.8
135.04417	2.1
137.05969	5.9
139.03867	0.5
143.11797	1.9
145.02840	82.5
146.03201	1.3
147.04402	51.1
148.04767	1.0
149.05963	8.9
150.06741	1.0
151.03885	0.8
151.07545	1.2
155.11787	4.2
157.13358	1.8
159.04524	0.6
161.05965	1.2
162.03127	0.7
162.06737	1.0
163.03891	1.4
163.07529	1.2
167.03380	0.6
167.07021	0.7
169.13356	4.0
171.14882	2.8
172.14452	0.9
173.05956	0.7
175.03915	4.7
176.07137	1.1
177.05460	100.0
178.05789	2.4
178.71259	0.5
179.07039	2.6
180.07809	0.6
181.04921	0.6
186.05479	1.3
188.17593	2.6
201.05444	4.4
204.06590	0.9
204.10210	3.0
205.06493	0.6
214.15503	6.7
218.10355	0.7
226.15475	1.5
232.09709	5.4
233.10480	0.8
233.12822	2.6
234.11244	19.6
249.32314	0.5
260.12793	1.1
263.13834	1.9
272.09305	0.7
277.08469	0.6
293.07974	1.7
303.16858	1.3
305.07941	1.3
316.20230	2.8
317.18536	2.0
325.10645	1.6
329.17340	1.0
332.19360	0.5
334.21167	3.5
337.10400	1.1
344.19592	2.1
345.20529	0.5
346.21344	5.3
347.18427	0.7
355.11765	1.8
360.19025	1.8
362.20737	11.9
363.21454	3.4
364.22095	1.8
372.19174	2.7
373.12704	1.0
378.13232	0.7
382.16473	3.1
402.20270	4.2
412.17346	1.9
430.18701	4.8
494.26422	4.8
501.26373	0.5
508.24353	12.9
509.24634	2.2
510.25714	0.8
512.27533	11.5
513.27789	1.1
524.27557	4.4
542.28528	29.2
543.28009	1.8
560.29626	53.2
561.29712	2.7
658.31079	4.7
659.32465	0.5
706.33325	2.5
727.83826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27533	0.9
55.01875	3.2
55.05517	11.7
57.03438	6.6
57.07081	1.4
60.65812	0.9
61.02922	1.5
62.58162	1.0
65.03952	1.3
67.05507	43.0
69.03448	2.5
69.07073	9.2
71.04993	22.0
73.02920	1.6
74.38124	1.1
75.85998	0.8
77.03914	1.0
79.05495	24.6
81.03425	5.7
81.07060	67.0
82.07402	1.1
83.04973	5.1
83.08617	12.8
85.02922	2.7
85.06543	5.6
91.05483	18.9
93.07044	38.3
95.04978	9.0
95.08608	34.7
95.09224	2.0
97.02895	3.6
97.06541	6.1
97.10159	2.7
99.04463	2.8
99.08096	1.1
105.07034	11.8
107.04975	6.3
107.08597	28.5
109.06544	3.9
109.10158	6.7
111.04429	1.2
111.08103	3.0
117.07022	9.8
119.08582	8.8
121.06529	5.7
121.10143	15.5
123.08072	1.1
123.11710	9.4
125.05994	3.2
125.09646	1.2
127.07580	1.5
129.07047	2.1
129.47868	1.0
131.08574	4.2
133.10129	15.9
135.08148	1.8
135.11694	48.5
136.12010	1.2
136.45476	0.9
137.09660	1.0
139.07530	2.2
143.08646	1.0
145.10121	24.3
147.11717	1.6
149.09685	1.0
149.13280	4.3
151.11194	5.8
153.12842	1.3
155.08586	1.0
157.10100	1.2
159.11728	4.3
161.35510	1.0
163.11186	62.2
169.12239	1.1
173.09625	1.1
177.12799	1.9
181.12222	12.5
182.12619	1.1
183.13773	2.7
187.13298	3.6
193.12131	1.4
195.13719	1.3
201.14929	1.4
209.11783	1.9
225.14951	2.3
227.12781	62.8
228.13130	0.9
251.43883	1.0
253.14365	1.3
255.15967	1.3
257.17432	2.1
267.15991	2.6
269.17517	3.8
283.15421	24.4
301.20078	22.4
301.23297	1.8
319.99445	1.2
409.25903	1.1
451.26907	69.6
452.27301	4.4
459.27438	3.1
465.28503	10.7
477.28479	100.0
478.28815	6.3
491.30017	3.5
495.29272	2.1
509.31125	83.6
510.31534	5.2
628.87537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41293	0.4
81.03413	0.5
81.07031	0.4
82.41748	0.4
86.09694	1.9
87.04473	0.7
93.07056	0.7
95.08555	0.4
98.23452	0.9
115.16903	0.4
125.00020	1.5
126.84719	0.5
184.07315	6.8
257.91235	0.4
535.26666	0.9
599.46069	0.4
707.37573	100.0
708.37982	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	707.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.7
81.07075	0.5
83.60641	0.4
86.09714	1.4
102.69908	0.4
125.00009	1.6
133.65236	0.4
180.32471	0.6
184.07355	4.6
185.07690	0.6
584.08710	0.5
707.37610	100.0
708.37915	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.7
55.01886	0.5
55.05514	2.4
57.03437	2.2
57.07087	2.2
61.02927	5.8
67.05508	5.9
69.03433	3.6
69.07089	1.7
71.04997	0.6
73.02918	4.3
79.05502	3.8
79.97472	0.4
81.03432	2.0
81.07048	5.4
81.07432	0.4
83.04993	0.7
83.08624	1.0
85.02906	6.1
86.09731	1.0
87.04496	1.3
89.06045	1.9
91.03935	3.7
91.05491	2.6
93.07043	4.1
95.08607	3.7
97.02885	4.9
97.03397	0.4
97.06510	0.5
97.10202	1.5
99.04479	1.2
101.02386	2.1
105.07070	1.3
107.08579	2.4
109.02859	0.8
109.10187	1.8
115.05466	0.4
117.07035	0.5
119.08613	1.4
120.17788	0.4
121.06534	0.8
121.10143	2.2
122.55357	0.4
123.11741	0.7
125.00023	0.9
125.09685	1.6
127.03972	1.4
129.05466	0.5
131.08565	0.8
133.08640	1.5
133.10184	0.8
135.11754	1.4
147.11691	0.9
149.09695	0.5
149.13261	0.5
173.13257	0.4
177.11304	0.7
184.07353	3.3
185.07809	0.5
189.11246	1.4
199.07613	0.5
203.05322	0.8
205.85081	0.4
211.09444	2.0
233.19040	0.9
243.08441	1.5
259.20551	0.5
277.21719	1.2
335.25998	1.3
363.25208	0.5
429.17188	4.1
519.29285	6.9
545.38715	0.9
652.23511	0.5
707.39691	100.0
708.39844	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.5
57.03446	2.5
61.02937	4.6
63.24831	0.7
67.05508	5.6
68.60443	0.7
69.01226	0.9
69.03445	3.9
69.07085	2.2
69.24525	0.8
71.43963	0.9
71.79190	0.7
73.02904	4.7
73.36497	0.6
79.05495	3.8
81.03432	2.5
81.07056	5.8
83.08624	1.3
85.02917	3.5
86.09718	1.5
87.04495	1.7
91.03959	2.8
91.05499	3.1
93.07038	4.3
95.08607	4.6
97.02877	3.9
97.10169	1.7
101.02396	2.0
105.07026	1.5
107.08618	3.2
109.06554	1.1
109.10172	2.0
113.06306	0.8
117.07079	1.1
119.08630	1.4
121.10171	3.1
125.09695	1.7
127.03944	1.3
131.08595	1.4
133.10205	2.0
135.11740	1.3
144.72261	0.8
145.10118	0.8
182.13704	0.8
184.07327	4.8
185.04297	1.2
185.07843	0.9
210.09860	0.9
211.09468	1.9
243.08569	1.5
277.21793	1.0
335.26132	1.4
372.82025	0.8
429.17493	3.2
519.29266	6.8
545.38641	1.0
603.91125	0.9
651.19666	0.8
689.43573	0.9
707.39551	100.0
708.39807	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	708.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01872	13.6
55.05505	35.1
57.03443	29.6
61.02932	8.7
67.05508	51.6
69.03408	13.1
69.07073	19.9
71.44329	5.9
71.59048	6.0
79.05498	54.1
81.03420	90.3
81.07063	48.6
83.04978	31.2
83.08614	39.4
85.02905	29.1
88.12229	6.1
91.05464	53.1
93.07047	32.4
95.04974	45.8
95.08625	23.1
97.02892	15.4
97.06523	9.8
97.10153	12.2
98.07339	8.5
101.09069	6.0
105.07042	30.9
107.04972	19.8
107.08610	15.1
109.10161	10.0
111.04432	8.2
111.08089	16.5
116.04712	13.1
119.08607	25.1
121.10162	22.3
125.09637	20.4
129.05476	23.3
129.07011	17.5
131.08577	22.5
133.10202	18.0
141.25128	6.2
145.10114	8.7
147.11723	17.5
149.09708	9.7
157.08621	9.6
157.10114	15.6
163.11218	16.3
165.12766	7.7
175.11256	23.7
177.64200	6.6
193.12257	75.1
199.13326	16.6
211.13287	100.0
227.12753	19.3
229.14447	9.2
247.13307	7.4
267.15961	28.8
283.15378	15.4
285.17035	69.2
301.16434	71.6
302.17242	7.9
427.26660	8.3
439.26852	21.6
493.27618	19.7
511.28824	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	708.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01858	3.3
55.05260	1.4
55.05510	19.6
57.03184	1.1
57.03438	12.2
57.07051	1.9
57.76904	0.9
59.04997	2.9
61.02922	5.6
65.03933	1.8
67.05504	66.7
68.73881	0.9
69.03426	6.2
69.07063	12.0
71.04992	27.6
73.02908	1.8
73.06553	1.0
79.05042	1.9
79.05489	33.0
80.05801	1.3
81.03415	51.2
81.07054	100.0
82.07372	1.7
83.04977	13.2
83.08615	22.8
85.02901	21.3
85.06551	9.7
91.03960	1.6
91.05476	45.1
93.07042	28.9
95.04967	23.7
95.08606	15.2
97.02882	5.1
97.06529	8.7
97.10167	5.4
98.22699	2.2
99.04446	1.4
99.08100	2.5
105.04530	1.3
105.06346	1.9
105.07027	30.9
105.07729	1.5
106.07310	1.1
107.04945	6.4
107.08592	16.5
109.06512	6.2
109.10160	12.4
111.04451	2.9
111.08072	10.3
113.05997	2.4
115.05450	1.6
117.07001	4.6
119.08579	18.4
120.08921	0.9
121.06472	2.4
121.10146	10.1
123.08070	2.2
123.11713	14.6
125.09628	3.1
127.03919	1.1
129.07010	10.2
131.08565	13.8
133.06462	2.7
133.10130	30.3
135.08063	1.8
135.11685	4.1
137.09610	1.7
142.07820	2.7
145.10121	3.7
147.08020	3.5
147.11688	14.7
149.09621	6.5
149.13263	7.0
151.11148	7.7
151.70366	1.1
157.10112	12.7
159.11667	5.0
163.11172	2.4
165.12724	2.9
169.12233	1.3
173.11742	1.7
173.13278	1.0
175.11176	12.7
177.12743	2.8
183.13818	3.0
187.11353	1.0
187.13278	4.5
193.12227	32.0
194.12569	1.2
195.13837	1.9
211.11227	1.7
211.13278	34.8
212.13644	2.0
225.14815	1.6
227.12762	1.4
229.14340	4.1
243.15921	2.9
249.14948	1.5
257.17554	2.0
267.15900	21.7
269.17462	12.0
275.19916	2.1
285.16959	24.1
286.17285	1.9
296.56830	1.0
301.20096	15.9
349.23746	13.3
354.85565	1.1
354.90451	1.0
417.26398	1.7
435.27423	27.7
436.27823	2.0
439.26697	3.2
443.28116	1.5
453.28464	69.8
454.28604	4.2
461.22778	2.1
461.28976	40.3
462.29160	2.8
467.29996	9.0
467.35800	1.6
479.29987	53.2
480.30228	3.8
493.31873	2.9
511.32791	65.6
512.33240	5.0
527.94720	1.1
529.30579	1.3
543.74646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41187	1.8
53.46994	1.6
55.05499	6.9
57.03448	10.2
67.05497	25.8
69.07062	10.8
70.13570	3.3
71.04980	2.5
77.43147	1.8
79.05490	18.6
81.03416	47.3
81.07060	31.7
83.04960	2.8
83.08618	14.1
85.02866	2.3
85.06548	2.9
86.59177	1.9
91.05461	11.6
91.92967	1.9
93.07038	25.4
95.04989	12.1
95.08611	10.4
97.06530	4.5
97.10204	2.9
105.07016	5.6
107.04984	3.6
107.08576	11.0
109.06556	2.1
111.08073	6.6
117.07035	4.1
119.08573	7.3
121.10152	7.5
125.09641	2.7
129.06981	5.2
130.17329	2.3
131.08572	7.0
133.10138	4.9
135.11716	3.0
147.11702	4.2
149.09581	2.3
149.13260	12.7
157.10098	2.6
159.11726	7.3
173.25224	1.8
175.11166	3.9
177.12698	2.3
190.46527	1.6
193.12213	14.2
195.13757	3.5
218.19518	1.8
220.05644	1.7
267.15900	43.5
268.16232	2.4
269.17471	55.7
270.17896	2.1
356.86365	2.1
435.27289	4.6
453.28683	2.9
461.28970	100.0
462.29272	5.0
479.29697	3.0
511.32587	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	708.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67880	0.6
57.07076	68.1
59.04993	1.3
65.03938	0.6
69.03458	0.9
71.08633	1.0
73.02900	0.8
73.06551	2.9
87.04468	22.9
89.06031	100.0
90.06359	0.7
91.05479	6.1
93.07047	3.5
95.04935	1.1
98.23424	1.6
103.05476	1.0
105.04514	1.0
105.07027	1.7
107.04936	0.9
107.08612	3.2
109.06563	1.1
111.95395	0.6
113.08107	0.6
113.13299	1.3
117.07025	1.7
117.09121	2.1
118.07779	4.7
119.04928	2.8
119.08559	5.1
121.05618	1.1
121.06503	23.8
121.10155	1.1
123.08060	1.3
130.08672	0.8
131.07036	11.4
133.08606	64.2
135.08052	4.5
135.11728	1.8
147.08038	12.8
149.09601	5.3
149.13249	0.9
150.06761	1.4
159.11713	1.5
163.11194	2.2
165.09117	8.4
167.10728	2.5
170.59329	0.6
173.09605	0.8
175.09659	8.1
175.11063	1.1
177.11224	30.1
177.12666	1.6
191.10661	4.8
193.12257	1.8
209.11682	3.5
211.13249	3.1
219.12337	2.2
221.13843	7.1
233.18983	20.8
235.13283	2.7
239.14688	0.7
253.14328	1.3
255.15965	2.3
259.20596	4.0
263.29608	0.7
265.16470	2.9
275.23657	1.4
277.21616	30.3
279.15979	1.8
283.17493	1.5
297.17004	0.8
299.18594	1.2
303.23221	3.2
309.19009	1.7
315.18228	0.7
321.24203	9.6
353.21893	1.3
397.24258	1.5
579.33661	5.0
603.41266	0.7
691.35150	1.1
691.46185	14.8
708.48932	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	10.8
58.80106	0.4
59.04995	1.5
69.03412	0.7
69.37394	2.1
73.02959	0.4
73.06555	2.1
79.05451	0.4
87.04471	28.8
89.06033	100.0
90.06362	0.6
91.05482	1.2
95.04932	0.3
105.07034	0.5
107.07076	2.1
113.06051	0.6
113.13284	0.4
117.09119	0.9
119.08570	1.1
121.06490	3.8
130.08641	1.4
131.07045	10.1
133.08604	71.0
134.08940	0.7
135.08104	0.4
135.10182	0.5
147.08066	3.0
149.09622	1.6
152.85596	0.5
157.40060	0.4
164.73705	0.3
167.71162	0.4
173.09607	1.0
175.09685	9.0
175.11087	0.8
177.11223	33.8
178.11522	0.7
185.08067	0.4
186.20052	0.4
191.10616	0.8
193.12231	0.9
209.11671	0.8
219.12244	3.0
221.13849	8.3
223.15503	0.5
233.18991	2.6
235.13249	0.7
237.13251	0.5
239.14848	1.3
253.14325	1.0
255.15869	1.1
259.20517	1.2
261.22128	0.6
263.14844	0.5
265.16434	1.8
277.21667	0.4
279.15878	0.9
283.17496	2.1
297.16949	1.7
299.18585	1.3
303.20078	0.4
303.23154	1.5
309.18988	1.4
312.83652	0.4
315.18213	0.6
321.24225	0.8
323.18289	0.4
327.20074	1.1
341.19547	0.8
343.21048	0.9
353.21677	1.2
365.26782	1.4
371.22794	0.6
385.22314	0.6
387.23566	0.5
399.85092	0.4
409.29694	0.7
453.31665	0.5
497.34229	0.6
541.37085	0.5
555.39337	0.4
579.34039	0.5
582.20361	0.4
679.56677	0.5
691.46002	2.4
708.48163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70554	1.5
55.19321	1.8
55.20278	1.4
55.70700	1.3
57.03440	1.6
61.02917	2.9
65.51319	1.5
67.05502	4.6
69.03431	2.2
71.70947	1.5
72.29237	1.3
73.02917	2.1
79.05514	2.2
81.03426	2.3
81.07059	6.2
82.11294	1.5
82.58430	1.4
83.72221	1.6
85.02919	2.0
86.03580	1.4
89.64642	1.6
91.03992	2.4
91.05480	4.5
93.07050	4.1
97.02910	3.9
105.07034	2.4
184.32172	1.4
247.13159	2.7
252.21260	1.8
273.09421	1.6
437.88281	1.5
465.20926	6.9
485.23578	7.8
511.49802	1.5
709.37622	100.0
710.37738	8.4
729.15106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85797	0.9
53.03955	1.4
55.05518	5.3
57.03436	9.9
57.07075	1.3
59.04983	2.7
61.02921	1.9
67.05495	10.4
69.03427	40.3
69.07065	12.4
69.13464	2.8
69.13885	3.8
71.01358	1.1
71.05021	1.2
73.02908	1.5
75.04477	1.3
77.45732	1.1
79.05481	10.1
81.03403	2.2
81.07053	20.7
83.04983	2.1
83.08626	1.8
85.02898	33.8
87.04464	24.8
91.05474	20.9
93.07039	20.7
95.04976	1.7
95.08601	19.7
97.02888	31.4
99.04462	1.4
100.76593	1.0
105.07024	35.1
107.08591	21.5
109.02901	1.7
109.06502	3.1
109.10160	9.3
111.04421	1.2
115.03925	40.6
115.05257	1.5
116.06201	1.2
117.07009	20.9
119.08579	25.2
121.10126	13.3
123.08042	2.0
123.11657	1.2
125.09628	1.6
127.03919	4.1
128.06194	2.1
129.07001	4.0
130.07800	4.7
131.08562	25.8
133.04965	35.3
133.10118	13.9
135.08066	1.0
135.11678	13.1
137.05991	5.2
137.09608	1.4
139.03976	1.4
142.07806	1.3
143.08559	9.5
144.09323	1.9
145.05011	5.5
145.10117	65.9
146.10536	2.4
147.11676	25.3
149.09586	2.2
149.13228	7.0
155.08545	1.6
157.10115	7.4
158.10916	1.9
159.11681	36.3
160.16692	1.0
161.13222	4.6
163.06010	1.9
163.07486	2.2
163.11172	3.9
169.10153	2.7
171.11703	3.3
173.13254	9.0
175.14804	3.1
177.09048	2.9
181.10127	2.4
183.11591	1.5
185.13266	1.7
187.11180	1.7
187.14763	3.8
191.17949	8.2
195.11624	1.5
199.11125	1.8
199.14767	5.4
201.16373	100.0
202.16725	4.6
203.17944	8.2
211.14760	1.5
213.16417	2.4
215.17917	1.1
217.15875	3.1
219.17430	33.4
225.16339	1.4
229.15916	1.6
231.17409	2.4
241.07089	1.1
243.17502	2.2
259.08054	2.1
261.18527	1.5
295.10022	1.2
297.18414	2.4
307.15500	0.9
315.19449	2.6
321.20471	2.1
325.11371	1.2
333.16977	1.6
333.20593	12.3
345.20575	1.1
351.21573	3.7
363.21686	1.9
368.97958	1.1
730.36505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.66908	0.4
55.01866	1.8
55.05510	1.9
57.03420	0.5
61.02908	0.8
61.56737	0.5
63.46148	0.4
64.93892	0.4
65.03944	0.5
67.05168	0.8
67.05504	11.9
68.38554	0.5
69.03423	2.4
69.07060	2.0
71.04988	3.9
71.44126	0.5
73.02925	0.5
75.79389	0.4
77.04385	0.4
79.05489	5.0
80.11198	0.4
81.03416	0.5
81.06627	0.8
81.07057	10.3
83.01348	1.8
83.04972	1.6
83.08627	0.9
85.02901	5.8
85.06580	0.6
91.05482	2.9
93.07043	4.5
95.04954	1.4
95.08604	6.0
97.02895	1.9
97.06528	2.1
99.04474	1.3
99.08091	0.5
105.07023	1.6
107.04980	0.5
107.08605	3.2
109.06513	1.5
109.10146	1.6
111.04440	0.6
111.08085	0.8
113.05993	1.8
115.03897	0.5
117.07016	0.8
119.08578	1.4
121.06504	1.8
121.10149	2.6
125.05994	5.5
127.03926	1.1
131.08569	1.1
135.08047	1.1
135.11694	1.0
137.05972	100.0
138.06264	2.3
139.03908	0.6
145.04968	1.2
145.06491	1.0
145.10115	1.7
147.08047	0.6
147.11676	0.7
149.05959	1.0
149.09625	2.2
149.13223	0.6
151.07521	5.5
159.08037	1.1
159.11716	1.0
161.05959	7.5
161.09554	1.0
162.06680	0.8
162.88771	0.5
163.07530	24.6
163.11240	0.6
163.14801	1.4
164.07889	0.8
171.07982	0.7
173.09610	1.0
173.13249	0.5
174.06822	0.9
175.07520	5.3
177.09106	45.6
178.09396	1.3
179.07036	0.6
187.07552	2.1
189.09096	2.9
191.10666	13.4
192.10982	0.5
200.53290	0.5
201.09132	3.0
201.16356	0.8
203.07010	4.0
203.10641	2.0
205.12206	5.7
215.10651	3.7
217.12248	1.1
227.06995	1.8
227.10687	1.0
229.12212	0.9
231.13795	1.5
235.17111	0.6
243.10294	0.9
247.12643	0.5
249.14963	1.3
257.11563	0.8
287.20032	10.6
288.20581	0.5
289.21603	2.4
291.19531	4.5
297.18362	2.5
305.21014	4.0
311.20102	0.7
315.15958	1.1
315.19513	12.9
316.19626	0.7
319.15378	0.5
333.20578	45.3
334.20972	1.9
339.19476	2.7
351.21643	66.5
352.22031	3.2
353.21072	1.8
357.20618	4.1
369.22696	33.8
370.22910	1.2
371.22153	0.6
375.21603	5.0
381.20309	1.1
393.22638	1.4
399.21680	3.8
405.20718	1.1
417.22919	4.3
423.21783	1.2
441.22546	2.1
459.23883	1.2
477.24677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
54.21889	0.5
54.93942	0.6
55.01870	3.5
55.05256	0.8
55.05508	9.8
57.03435	12.5
59.04983	0.7
61.02925	1.1
63.11548	0.6
64.32843	0.6
65.03947	0.8
67.05504	17.4
69.03424	3.6
69.07061	5.5
71.04988	3.9
73.02908	0.9
73.20139	0.7
78.04785	0.7
79.05046	1.0
79.05492	18.9
80.05833	0.8
81.03414	85.2
81.07050	20.3
82.03734	0.8
83.04979	10.3
83.08132	1.4
83.08618	24.0
84.34949	0.7
85.02898	11.3
85.06551	1.7
91.05480	22.9
91.06046	1.5
93.06453	0.8
93.07037	13.2
95.04963	28.4
95.08604	8.0
97.02900	3.8
97.06535	3.9
97.10154	5.8
99.08028	0.7
105.04527	0.7
105.07018	19.1
106.07436	0.7
107.04947	9.1
107.08588	6.4
109.06513	6.7
109.10152	3.5
111.04404	1.3
111.08064	8.6
113.05968	1.3
115.05465	1.1
117.07021	2.0
119.04931	1.5
119.08578	15.7
121.06477	4.8
121.10132	8.6
123.04358	1.2
123.08055	2.6
123.11721	0.9
125.09631	4.4
128.06248	0.8
129.06993	9.4
131.04906	0.9
131.08560	13.6
133.06514	4.6
133.10114	9.1
133.40981	0.7
135.08034	1.7
135.11720	0.9
137.09602	1.8
139.11176	0.7
142.07762	2.4
143.08594	1.1
145.06477	4.5
145.10107	3.0
147.08057	3.4
147.11676	12.5
147.12830	0.7
149.09627	6.8
153.08971	0.8
155.08575	0.8
157.10112	13.2
159.08026	0.7
159.11668	0.8
160.88034	0.6
161.09648	0.7
163.11148	1.3
165.12776	2.9
171.11732	1.4
175.11179	12.5
181.10188	1.1
183.08118	0.8
187.11163	1.2
189.11232	1.8
189.12750	0.9
193.12231	37.3
194.12505	1.0
195.11711	1.3
197.13319	0.8
199.11229	0.9
211.11232	1.2
211.13257	17.8
213.12701	1.0
219.13811	1.8
223.13130	0.8
229.14481	1.0
233.15280	1.6
249.14835	2.6
255.13805	1.4
259.15494	2.0
267.15894	100.0
268.16116	3.2
273.14810	4.3
281.15231	0.6
285.16968	18.6
286.17581	0.8
293.17615	1.2
309.16937	0.8
328.49115	0.8
339.23224	1.2
341.20975	1.2
349.21561	2.9
357.24133	1.0
367.22647	10.2
385.23703	11.9
403.24695	3.9
433.25784	13.5
434.25925	0.8
441.26349	5.7
459.27402	73.6
460.27768	4.9
466.27188	0.7
477.28445	61.1
478.28513	2.8
495.29849	3.5
585.30579	1.4
603.31525	1.3
693.31598	0.7
723.49493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03947	1.8
55.01864	2.6
55.05515	16.7
57.03175	1.2
57.03432	9.4
57.07074	1.9
59.05004	2.9
60.50164	0.7
61.02940	4.8
65.03945	2.7
67.05506	100.0
68.05834	1.8
69.03429	3.9
69.07067	11.9
71.04994	51.5
71.42984	0.7
72.05338	1.6
73.02926	2.6
73.51651	0.7
79.05496	29.2
80.05839	0.8
81.03422	5.0
81.07059	80.4
82.07405	2.2
83.04987	8.5
83.08624	11.7
85.02914	7.0
85.06545	9.3
87.04469	1.5
91.03960	2.4
91.05482	33.1
93.06448	1.7
93.07047	33.0
94.07401	1.3
95.04960	5.7
95.08609	17.9
97.02910	2.4
97.06532	9.4
97.10165	4.7
99.04471	1.1
99.08099	2.5
101.02367	1.0
101.06039	1.1
105.02617	0.7
105.04536	1.1
105.07037	10.5
107.04987	2.0
107.08597	19.3
108.08936	0.9
109.02923	1.0
109.06515	3.4
109.10160	59.7
110.10537	1.6
111.08089	5.3
113.06020	1.1
117.07012	5.5
119.08578	13.5
121.06519	1.9
121.10149	10.6
123.08119	0.9
123.11710	13.7
125.09650	2.6
127.03902	0.9
129.05536	1.8
129.07007	1.9
131.08589	5.6
133.10133	20.8
135.08128	2.0
135.11697	15.9
137.09630	13.4
145.10136	4.3
147.11736	2.1
149.09607	1.1
149.13257	10.3
151.11165	11.1
153.12759	1.0
155.10654	3.9
159.11713	7.2
163.11145	3.5
165.12788	1.7
169.12262	3.5
171.11609	0.9
173.11758	8.2
177.12772	3.5
181.12262	2.4
183.13789	6.4
187.13318	3.9
193.12344	1.2
195.13803	5.2
199.13252	1.1
209.11746	1.2
211.13431	2.9
213.14914	1.4
225.14859	1.3
227.12697	1.5
229.14354	9.5
239.16534	1.3
241.82565	0.9
243.15953	1.7
255.16013	2.1
257.14053	1.9
257.17578	2.5
267.15945	2.3
269.17484	17.1
270.17923	0.8
270.87411	0.7
271.15485	0.9
283.15601	0.8
285.16937	1.0
287.18521	10.0
301.16544	3.4
301.20221	9.6
379.25208	1.0
411.27386	7.6
423.27457	14.4
425.28824	0.9
431.28186	1.4
437.29065	13.2
449.29059	9.0
455.30045	66.9
456.30426	3.9
463.30450	14.6
464.31009	1.9
469.31512	6.4
477.27917	1.0
481.31644	50.8
482.31992	4.7
495.29889	10.8
496.30331	0.9
513.34393	54.9
514.34833	3.9
593.33008	1.3
625.35956	2.5
710.38031	8.1
711.35632	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	710.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05264	1.5
55.05513	18.1
56.30479	1.0
57.03440	7.9
57.07072	10.5
58.22416	1.2
61.02925	24.4
61.82864	1.2
65.03938	1.8
67.05503	61.5
69.03422	3.6
69.07070	33.1
70.61134	1.5
71.05016	2.8
71.08624	5.9
73.02916	9.9
79.05488	21.8
81.03409	1.9
81.07056	100.0
82.07372	1.9
83.04985	3.3
83.08621	23.3
85.02905	35.3
85.06542	3.2
85.10180	2.7
87.04519	1.4
91.03957	26.8
91.05477	12.6
93.06461	1.3
93.07045	25.8
95.04977	2.5
95.08604	86.6
97.02903	15.7
97.06519	6.6
97.10171	17.6
99.04491	1.7
99.08085	3.7
103.03942	1.4
105.07035	12.3
107.08587	19.6
109.10155	41.1
111.08084	3.4
111.11708	6.4
113.09621	2.1
115.03924	2.8
119.08576	10.9
121.10138	18.3
123.11705	21.9
125.09636	4.4
125.13265	1.9
127.03909	8.2
127.15930	1.1
133.10127	11.6
135.11681	10.5
136.17131	1.2
137.09634	1.8
137.13251	13.9
139.11150	3.4
141.12857	1.3
145.04948	10.8
147.11676	10.7
149.13257	8.3
151.11215	2.4
151.14790	8.0
153.12785	1.9
161.13252	9.3
163.06020	18.6
163.14810	8.8
165.12766	3.2
165.16414	5.8
167.14265	1.7
175.14832	7.6
177.16400	8.4
179.14264	2.0
179.17903	9.2
181.15886	3.2
189.16415	6.7
193.15952	2.4
193.19493	6.3
195.17447	2.8
199.16905	1.6
203.18028	3.4
207.17336	1.5
208.68398	1.4
221.19020	2.1
243.15952	1.3
259.24210	49.1
260.24457	1.7
269.21201	1.4
277.25262	79.1
278.25607	4.6
279.26828	1.7
351.28922	70.1
352.29309	4.6
369.29889	8.1
457.79745	1.2
513.34149	5.4
710.40887	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	711.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93517	3.2
55.93769	0.7
56.16530	0.7
56.94304	2.0
60.10151	0.7
69.03423	0.9
70.56361	1.2
71.03928	0.8
72.93797	2.2
90.94834	2.2
105.24430	0.7
105.35876	0.7
121.02872	0.9
121.50188	0.7
132.95847	5.4
133.02698	0.9
139.03900	1.4
144.95830	4.0
150.03151	1.3
150.96858	1.7
153.05481	1.3
162.96869	2.4
165.05511	1.0
177.01802	1.8
178.02647	0.9
179.95058	1.0
179.98586	0.7
181.04959	1.0
185.96156	0.9
193.05043	2.7
194.02145	2.1
197.96127	2.7
205.05002	1.3
206.02071	3.8
207.02936	1.6
209.04457	11.1
210.96910	1.1
219.06653	1.1
220.95311	1.3
221.04440	8.3
221.96217	1.2
222.96938	1.3
224.98447	1.3
225.95560	0.8
228.97929	1.3
233.04433	1.6
234.97098	1.0
236.94862	1.5
237.95490	2.6
238.96313	6.2
239.97173	2.2
240.98088	1.0
247.06149	0.8
248.94801	1.4
250.96378	1.0
251.05518	1.6
251.69789	0.8
251.93536	3.6
251.97252	1.2
252.98019	1.5
253.95303	0.9
254.95840	2.1
255.96701	5.3
256.97424	3.9
257.98193	0.9
262.96326	1.5
263.97183	2.2
264.94867	1.2
264.97919	15.1
265.95126	9.2
266.95844	13.0
267.96628	4.4
268.97046	1.0
269.94745	0.8
269.98056	0.8
270.95386	1.1
278.95868	2.1
278.99432	1.2
279.93524	1.0
279.96524	3.7
280.97415	14.6
281.94611	1.1
281.98099	1.3
282.95468	3.9
282.98984	30.0
283.96143	25.6
283.99249	1.7
284.96857	8.8
285.97183	0.9
291.96649	5.7
292.97696	1.2
294.95401	2.2
294.98981	2.0
296.96936	1.8
297.97617	1.7
298.98480	14.8
299.98969	0.9
304.97388	1.6
305.97986	0.9
306.98932	1.1
307.96136	11.8
308.96634	0.9
309.97614	3.5
312.96356	2.5
312.99887	1.7
319.96136	12.9
321.97778	0.9
322.98486	100.0
323.98834	6.1
325.00015	1.6
325.97183	2.8
327.01334	0.9
331.96262	0.9
334.98471	57.1
335.98779	3.1
337.97253	3.0
340.99542	12.3
346.98474	1.0
352.99542	17.5
364.01056	3.4
364.99503	9.9
366.00015	0.8
371.00809	0.9
376.01273	2.1
383.00586	12.0
383.09137	5.8
401.01642	38.6
402.01938	1.7
419.02734	1.7
424.03104	1.3
443.02728	8.4
455.02548	3.3
455.97653	4.2
471.00183	1.0
473.98886	1.3
485.98801	1.2
489.01239	4.1
501.01273	5.4
504.00082	1.1
519.02100	4.5
531.02490	1.5
591.04315	34.1
592.04193	2.2
621.05005	1.7
711.08051	3.4
711.19708	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
86.64439	1.0
111.31226	1.1
139.03946	1.4
144.56578	1.0
185.04240	4.7
211.28294	1.0
221.04169	5.0
230.72768	1.1
239.96944	1.0
274.86154	1.0
287.05392	1.3
294.43970	0.9
383.09512	100.0
384.09753	4.8
445.25296	1.1
731.61969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01868	0.6
55.05504	2.4
57.03448	2.3
58.22011	0.4
61.02921	3.7
63.98491	0.4
67.05498	8.6
68.05838	0.9
69.03419	2.3
69.07072	1.2
71.04995	3.1
71.43401	0.4
73.02923	2.7
80.05835	0.9
81.03428	2.3
81.07053	8.1
82.07373	0.6
83.04984	1.5
83.08633	2.5
85.02902	3.5
85.06552	1.0
86.09711	1.8
87.04468	0.5
91.03965	1.8
91.05478	4.9
93.07053	5.6
94.07345	0.5
95.04982	1.7
95.08597	3.3
97.02884	4.1
97.06538	1.1
97.10167	0.9
99.04468	0.6
101.02393	1.5
105.07031	2.0
107.04971	0.9
107.08601	4.0
109.02904	0.8
109.10137	2.7
110.10491	0.4
111.08098	0.7
117.07016	0.8
119.08611	1.7
121.10155	1.4
122.10497	0.4
123.11678	0.9
125.00007	0.9
125.09640	0.7
127.03942	1.0
131.08598	1.2
133.10146	2.7
135.11690	3.1
145.10158	1.5
147.11699	1.1
149.13264	1.2
151.11220	1.2
158.10510	0.4
163.11200	3.5
173.11827	0.5
179.14235	0.5
181.12178	0.6
184.07333	3.6
185.07803	0.5
227.12753	3.6
229.14389	0.9
230.14709	0.9
243.08351	2.3
249.11017	5.6
267.15637	2.0
269.17542	1.4
270.17905	0.8
285.17001	0.6
302.16895	0.5
305.13635	1.9
351.25348	1.3
352.25681	2.5
412.28046	0.4
423.27414	0.5
424.27866	1.3
453.21033	0.5
456.30502	0.4
463.30194	0.4
464.30829	1.1
467.18921	9.6
467.25607	0.6
482.32059	0.9
485.23688	7.5
496.29565	2.0
540.08972	0.4
541.26459	0.5
549.30524	0.7
665.30804	0.5
711.35535	100.0
712.35931	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	712.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01863	2.3
57.03439	4.0
61.02929	6.7
69.03060	0.9
69.03430	13.8
71.05002	1.9
71.08630	2.8
73.02916	3.0
78.97021	0.4
79.47874	0.4
80.43739	0.4
81.03413	5.7
83.01343	0.4
85.02905	92.6
86.03243	1.1
87.04474	1.7
91.03958	4.2
91.05476	0.6
91.75355	0.4
93.07056	0.5
97.02895	24.2
98.03229	0.5
99.04465	3.2
101.02408	0.6
103.03950	1.6
107.04942	2.3
109.02881	7.6
115.03942	1.0
117.51915	0.4
120.00407	0.4
121.06506	1.0
124.05196	4.3
127.03915	23.6
137.05994	1.2
139.07542	30.5
140.07870	0.6
145.04962	45.0
146.05356	0.7
163.06030	21.6
163.07448	1.3
165.09074	0.6
177.05275	0.4
177.09169	0.8
191.10724	0.6
209.15367	100.0
210.15672	3.7
233.15346	4.2
245.15274	1.3
247.16985	0.5
251.16371	2.8
253.07115	0.5
271.08252	0.7
275.16458	4.7
289.09058	1.1
317.17468	1.3
325.11267	5.6
335.18530	7.5
353.19562	1.7
371.20508	1.1
520.92017	0.4
672.78662	0.5
712.29962	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01879	6.4
55.05259	1.5
55.05510	20.2
57.03439	21.8
57.07064	2.5
57.35583	0.7
57.47491	0.8
59.04986	1.8
61.02934	3.8
65.03930	2.4
67.05508	68.3
69.03420	2.4
69.06718	1.4
69.07072	21.2
71.01350	3.3
71.04978	5.0
73.02891	1.2
73.71378	0.7
76.45364	0.7
77.03931	1.2
78.11366	0.7
79.05495	54.8
80.05797	0.8
81.03413	4.5
81.07056	52.7
83.04983	16.4
83.08616	7.0
85.02898	3.5
85.06522	4.3
88.29408	0.7
91.05482	24.4
93.07047	69.8
94.07361	1.0
95.04976	7.2
95.08607	36.4
97.02866	1.6
97.06530	14.7
97.10172	10.0
99.04457	1.1
99.08070	1.4
102.55796	0.8
105.04515	2.6
105.07034	12.7
107.04935	1.9
107.08595	44.8
109.06539	1.8
109.10158	18.2
111.08102	4.3
113.09595	0.8
115.05447	0.7
117.07008	7.4
119.08582	13.7
121.06509	1.7
121.09281	1.0
121.10138	18.7
123.11718	4.0
125.09635	2.8
130.07796	0.8
131.08586	6.9
133.10124	11.3
134.10455	1.4
135.11694	57.9
137.09529	1.5
137.13243	1.0
143.08559	1.0
145.10120	14.6
146.67133	0.9
147.11685	4.2
149.13258	5.1
151.11197	1.5
153.12750	10.0
157.63091	0.7
159.11696	4.1
161.13226	2.7
163.11185	7.2
163.14844	1.6
173.13290	3.2
175.14757	0.9
177.16389	0.9
181.12224	14.1
187.14784	1.9
187.61597	0.8
199.13350	2.8
201.16299	0.9
206.72501	0.7
227.12773	1.3
243.20926	3.6
253.14351	2.7
255.15923	100.0
256.16302	2.8
261.22131	9.4
317.24728	1.8
335.25803	57.1
336.26086	2.4
423.32541	1.3
441.33716	1.3
515.37360	74.6
516.37793	3.8
533.38342	2.8
635.07758	0.8
712.43439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65848	1.1
69.70216	2.8
69.70573	2.2
95.20081	1.1
108.81464	1.0
184.63257	1.1
201.01819	1.3
261.50790	1.3
317.06046	1.3
319.33960	1.3
331.08081	1.5
387.14270	1.4
401.15921	1.9
426.77661	1.3
429.15268	2.5
433.23480	1.2
441.18610	1.9
445.15146	1.7
479.24280	2.0
500.20084	3.2
501.17300	4.2
515.18811	2.2
557.23267	4.7
583.28949	2.4
584.29083	1.5
612.29059	24.4
613.29633	1.9
641.29315	100.0
642.29456	7.2
687.06909	1.6
713.31293	56.4
714.31396	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	713.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53842	1.0
71.19252	1.3
73.38175	1.0
149.89157	1.0
200.00832	1.1
243.02638	1.1
317.06470	2.6
349.63095	0.9
387.14053	1.4
389.08334	2.2
398.39105	1.1
401.15945	2.3
405.24091	1.3
429.15225	1.2
431.13098	1.1
441.18970	2.5
446.15186	1.2
471.16608	1.1
479.24045	1.9
500.20099	3.1
501.17169	3.5
515.18909	1.1
557.23395	5.0
569.26605	2.6
583.28339	2.4
584.29297	3.1
612.29034	29.0
613.29675	2.0
641.29291	100.0
642.29663	7.2
644.27936	2.5
710.45752	1.0
713.31311	58.0
714.31488	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	713.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63209	0.3
59.86671	0.3
60.72786	0.5
61.02911	0.5
67.05486	0.4
69.63126	1.2
72.35699	0.4
78.94349	0.4
81.07058	0.5
93.07029	0.4
103.95430	0.4
116.09973	0.4
128.07997	0.4
149.51732	0.3
197.75168	0.4
232.93837	0.4
441.19461	0.5
469.18723	0.7
500.20529	0.6
501.20242	0.4
557.23700	0.5
612.29114	3.0
641.18518	0.6
641.29340	12.9
642.29901	1.4
713.35004	100.0
714.35419	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	713.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.05518	0.8
57.03442	1.3
61.02925	4.4
67.05501	3.6
69.03419	2.3
69.07063	0.6
69.83202	0.3
69.83544	1.1
71.04987	2.6
73.02918	3.2
79.05489	2.2
79.84413	0.4
81.03413	3.1
81.07051	4.9
81.42440	0.3
83.04987	0.7
83.08628	1.3
85.02897	4.9
85.06579	0.7
91.02235	0.4
91.03948	3.0
91.05479	3.2
93.07050	2.4
95.04995	1.4
95.08627	1.1
97.02886	3.8
97.06564	0.7
98.68768	0.4
99.04485	0.4
101.02371	1.8
103.03957	0.5
105.07058	1.9
107.08622	1.2
109.02892	0.8
109.10181	1.2
111.04405	0.3
111.08060	0.6
117.07053	0.4
119.08646	0.7
121.10223	0.4
123.11702	0.4
127.03955	1.5
129.07048	0.4
131.08614	1.0
133.10123	2.2
133.14539	0.4
135.11685	0.4
145.04968	0.4
147.11700	0.5
149.13278	0.9
151.11249	1.1
157.10191	0.8
159.11708	0.7
175.11240	0.4
183.13885	0.4
185.04221	0.6
187.13354	0.5
193.12312	0.8
203.05309	0.4
211.13252	0.4
235.13420	0.4
243.08421	2.1
251.12695	1.6
257.17572	0.8
267.15845	1.1
323.18542	0.7
396.86081	0.3
413.18124	1.2
453.20853	1.7
469.20450	6.6
470.21109	0.5
485.23608	7.5
485.29962	0.6
486.24112	0.8
501.22940	0.5
537.73077	0.4
551.31549	0.4
641.31372	3.5
713.37231	100.0
714.37708	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	713.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39973	0.3
55.05510	1.0
57.03430	1.9
59.05003	0.5
61.02929	3.9
64.62312	0.3
67.05511	3.3
69.03432	1.9
69.07079	1.4
69.73657	1.0
71.01339	0.3
71.04997	1.4
73.02923	3.0
74.24646	0.3
79.05494	3.2
81.03416	3.4
81.07049	5.0
81.17492	0.3
83.04970	0.6
83.08637	0.8
85.02903	3.8
87.04487	0.4
89.48698	0.3
89.87989	0.3
91.03937	2.2
91.05487	2.5
93.07043	3.3
95.04976	1.0
95.08611	1.7
97.02897	3.7
97.06546	0.9
99.04472	0.9
101.02376	1.5
105.07039	1.1
107.08588	2.2
109.02914	0.4
109.06553	0.5
109.10135	0.4
109.63761	0.3
111.08105	0.8
115.03980	0.3
117.07017	0.5
119.08594	0.8
121.10166	1.8
127.03924	1.3
129.07021	0.5
131.08582	1.0
133.10147	1.1
135.11731	0.6
135.78729	0.3
145.04980	0.4
147.11714	0.9
149.09663	1.1
149.13263	1.9
157.10158	0.7
159.11749	0.8
163.02194	0.3
175.11227	0.6
193.12300	1.1
195.13831	0.7
225.14960	0.5
235.13165	1.1
243.08385	1.8
256.00143	0.3
267.15952	0.5
269.17514	0.6
283.15134	3.3
291.15671	0.3
336.74359	0.4
339.17804	0.7
453.20926	10.9
454.21295	0.5
469.20715	0.5
501.23035	9.1
502.23605	0.6
551.31653	0.5
559.18634	0.4
713.37146	100.0
714.37402	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	713.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	0.6
58.07410	0.2
61.09714	0.1
67.01636	0.3
68.02415	0.2
69.32626	0.2
69.33026	0.4
69.80109	0.1
73.44302	0.1
83.01099	1.1
87.04478	0.2
89.06028	0.5
90.06354	0.2
91.06441	0.1
95.04733	0.2
96.05551	0.1
97.02612	0.2
98.03451	0.4
98.23445	0.2
108.10338	0.1
111.04199	2.8
111.04932	0.2
112.04963	0.7
113.05790	0.1
118.62868	0.1
121.06538	0.2
122.06863	0.1
125.05763	0.2
126.06535	0.2
127.03669	1.9
130.07819	0.1
133.08624	0.4
134.09016	0.2
139.07358	0.4
140.08051	0.2
141.05215	0.5
142.06013	0.6
142.40605	0.1
155.06776	2.0
155.07933	0.1
156.07541	0.6
160.53627	0.1
169.08429	0.4
170.09163	0.4
171.06265	1.6
172.49129	0.1
174.69258	0.1
183.09914	0.5
184.10753	0.3
185.07890	0.6
186.08701	0.4
199.09416	2.6
200.10132	0.6
201.07368	0.1
213.11034	0.4
214.11784	0.6
215.08919	1.2
227.12520	0.6
229.10513	0.1
230.11208	0.2
243.12065	1.6
244.12915	0.3
245.10081	0.2
246.10880	0.2
257.13635	0.3
259.11465	0.6
271.15146	1.4
273.13312	0.1
278.22220	0.2
279.22321	0.1
287.14670	2.0
301.16287	0.2
303.14185	0.7
315.17789	0.5
322.73114	0.1
331.17285	0.7
347.16876	0.6
359.20605	0.2
375.00168	0.1
375.19858	1.6
391.19550	0.9
419.22650	0.3
435.22031	0.6
463.25031	1.3
479.24536	1.1
507.27927	0.3
547.19012	0.1
601.31818	0.4
607.26929	0.1
641.34930	1.1
642.35608	0.1
655.37207	0.2
713.44385	100.0
714.44806	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	714.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01970	0.4
55.01867	1.5
57.03426	0.9
61.02908	0.6
69.03435	2.3
69.46124	1.8
71.04984	0.5
72.80225	0.4
73.02917	0.9
75.09512	0.4
79.05475	1.2
81.03376	0.9
85.02903	8.5
87.04504	0.4
90.50034	0.4
91.05460	2.8
94.04171	1.2
95.04969	0.7
97.02904	2.3
103.05470	5.5
103.85315	0.4
105.07015	4.8
107.04944	0.9
109.02883	0.6
109.06528	2.8
111.08081	0.4
115.03960	0.9
115.05467	2.3
117.07016	1.7
119.04940	2.6
121.06482	0.5
122.03653	4.1
123.04441	0.8
123.08064	0.7
125.02338	0.6
127.03905	1.3
128.06218	0.5
129.06995	1.1
131.04916	11.3
133.04941	1.6
133.06467	2.8
135.04425	0.5
135.08041	0.7
137.05969	100.0
138.06349	2.3
143.04921	1.3
145.04985	2.3
145.06482	1.5
146.03613	0.9
147.04407	2.6
149.05994	0.7
150.06757	0.5
151.03889	5.0
151.07561	2.0
155.04855	1.3
157.06595	0.5
159.04416	0.9
160.05174	0.9
161.05984	5.8
163.07526	22.8
165.05544	0.7
173.05965	1.7
175.03934	1.1
175.07523	1.2
177.05487	1.2
177.06990	0.4
179.05473	2.5
179.07019	1.6
179.08482	0.5
183.04366	0.9
186.03105	0.9
187.03894	1.1
187.07549	1.3
189.05452	8.1
192.04170	1.1
200.04703	1.4
201.05461	5.7
203.07024	2.0
205.06526	2.8
206.07135	0.6
207.06509	53.5
208.06873	1.2
215.07010	6.9
217.06313	0.5
219.06450	1.4
219.08290	0.6
222.06747	1.3
223.07509	0.5
227.07025	0.6
231.06544	1.3
233.05927	3.4
233.08093	13.1
234.06679	1.4
235.07733	0.7
237.09065	3.3
240.07890	0.5
246.06696	0.6
247.07388	0.7
250.06261	3.8
251.06973	1.3
251.10822	0.6
254.05650	0.5
262.06201	1.8
263.07037	1.0
264.07803	1.3
265.08603	8.3
266.09320	1.3
267.06583	0.5
269.08066	0.5
270.00223	0.4
273.05521	0.5
277.08609	2.5
278.05664	1.5
279.06583	1.0
279.10120	1.4
281.07901	0.5
282.08804	1.1
283.09698	1.7
283.96335	0.5
289.08554	0.6
290.05737	1.7
292.07291	3.0
293.08041	6.7
294.08658	0.8
295.09579	0.7
297.11258	3.9
305.08096	3.1
307.06177	0.4
307.09579	7.1
309.08011	0.6
309.11148	0.6
310.08273	1.1
311.09293	0.6
311.12604	2.1
313.14368	0.6
323.09131	2.1
325.10672	18.4
326.10873	1.1
337.10635	7.1
339.12253	32.9
340.12411	2.0
343.11786	17.1
344.12024	1.3
355.11743	11.0
357.13260	8.6
373.12567	2.0
453.16928	0.4
466.34073	0.4
535.91266	0.5
701.94373	0.5
714.27820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45377	3.3
55.05511	17.4
57.03443	22.0
57.07069	5.5
60.08158	4.2
65.03930	5.4
67.05505	70.7
69.07063	22.6
70.04314	8.2
70.04643	7.1
71.83327	3.9
72.14218	3.4
79.05498	42.1
81.07055	82.8
81.28464	3.1
83.08605	8.9
85.02928	3.5
85.06541	8.0
86.09704	30.1
91.05478	29.4
93.07053	49.0
95.04948	4.4
95.08604	51.4
97.06520	5.8
97.10136	5.5
98.23383	4.9
105.07038	39.6
107.08588	35.6
109.06531	5.5
109.10161	27.6
111.31303	3.6
117.07018	6.3
119.08566	26.8
121.10162	24.8
123.11697	8.6
125.00017	19.8
131.08585	19.4
133.10133	21.1
135.11708	14.4
143.08556	4.6
145.10175	12.8
147.11682	22.5
147.76453	4.1
149.13211	5.8
158.34631	3.6
159.11720	11.7
161.00020	3.3
161.13251	5.3
165.12700	7.5
171.11691	7.7
173.11795	5.5
173.13264	6.5
184.05685	5.2
184.07341	100.0
184.08900	7.4
187.14795	6.9
198.81604	3.7
229.14345	42.5
239.16423	22.0
241.18077	6.1
251.81259	3.8
261.22141	9.6
317.24881	4.6
333.24207	4.9
335.25748	44.4
392.08063	4.2
407.32901	7.7
419.31073	4.0
425.34158	14.4
442.42371	3.3
443.35172	5.0
489.35513	12.5
499.37744	30.2
517.38885	79.7
518.39166	8.1
697.09137	4.5
714.47809	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	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.5
57.03442	20.4
57.07067	3.8
60.08154	2.8
60.35332	2.0
61.02925	4.0
65.03954	4.4
67.05505	75.1
69.07055	24.7
71.04972	6.0
79.05489	43.7
80.45310	2.4
81.07053	91.5
83.04971	3.9
83.08617	12.3
85.02897	3.1
85.06536	5.1
86.09701	15.3
91.05475	31.3
93.07039	58.0
95.04960	7.8
95.08028	4.4
95.08604	63.8
97.06511	7.2
97.10147	4.0
97.60712	2.2
97.92963	2.4
98.24454	2.2
99.08102	3.2
105.04486	2.2
105.06348	4.4
105.07027	51.3
107.08585	38.9
109.06477	2.5
109.10162	38.3
111.08059	5.0
117.07018	7.8
119.08575	36.2
121.10142	19.8
123.08061	2.7
123.11698	8.7
124.99980	6.6
125.09593	3.0
129.07007	6.6
131.08586	19.3
133.10126	22.3
135.11682	18.6
142.07664	2.3
143.08577	6.7
145.10129	24.5
147.11690	26.3
149.13284	11.7
157.10112	8.0
159.11664	17.4
161.13286	12.1
163.11330	2.3
163.14806	4.3
165.12715	11.1
171.11653	4.2
171.96683	2.7
173.11720	8.0
173.13271	11.3
175.14825	6.4
183.11707	3.0
184.07344	40.7
185.13152	5.4
187.14786	5.6
189.16411	2.7
197.13286	2.6
199.14766	4.3
227.12714	3.0
229.14334	30.5
239.16417	26.4
241.17905	6.8
243.20970	4.5
259.20569	6.4
261.22217	8.4
273.22061	2.9
282.06027	2.6
287.23996	2.4
293.47931	2.8
317.24493	3.0
327.26797	2.7
333.24158	3.2
335.25778	63.2
336.26147	3.3
407.33151	6.6
425.34161	14.3
443.35199	8.4
489.35651	19.8
499.37848	32.5
500.37527	3.3
517.38873	100.0
518.39270	6.5
714.46936	7.1
715.38916	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	715.3299
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
51.32716	0.2
54.29583	0.3
67.05494	0.8
70.15105	0.5
75.32931	0.3
81.03423	0.4
85.92525	0.3
91.05484	0.4
93.07043	0.5
98.97611	0.7
109.10159	0.8
111.04738	0.3
111.58995	0.3
112.99169	0.4
116.98610	0.6
149.01199	0.4
173.11797	0.3
211.29411	0.3
217.54294	0.3
218.66925	0.3
229.14418	0.3
291.19550	0.3
317.17813	0.4
321.04984	1.2
437.10037	0.4
455.10522	0.5
519.33093	0.6
715.32959	100.0
716.33185	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	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54015	0.5
55.05510	0.6
57.03442	1.0
61.02924	3.0
67.05504	1.7
69.03436	2.3
69.07072	1.3
69.55056	0.5
71.05000	0.9
71.51988	0.5
73.02927	2.3
76.43693	0.5
79.05498	1.6
81.03416	4.1
81.07079	2.1
83.08626	1.4
85.02907	5.0
85.06596	0.7
88.79571	0.7
91.03979	2.8
91.05470	2.5
93.07065	2.1
95.04997	2.0
95.08669	0.9
97.02905	3.5
97.06500	0.6
101.02352	1.3
105.07053	1.9
107.04985	0.7
107.08619	1.1
109.02900	1.2
119.08630	1.1
121.10159	2.4
127.03930	1.1
128.77060	0.5
129.07057	0.9
131.08592	1.1
133.10150	1.0
137.06017	0.7
139.03935	1.1
139.11224	0.9
145.10069	0.6
147.11739	1.5
149.09642	0.7
157.10170	1.1
167.07068	2.7
170.62738	0.6
175.11301	0.8
177.05554	0.6
185.04391	0.9
189.12973	0.6
193.12289	1.7
211.13321	0.9
214.40088	0.5
243.08557	2.2
251.12611	1.6
260.70789	0.6
265.23978	0.5
267.16006	0.6
269.13800	1.3
298.48547	0.5
337.10791	0.6
347.16791	0.6
443.18958	5.0
451.19098	0.7
469.20456	10.1
487.21561	4.5
647.95874	0.6
671.32458	2.1
697.33856	1.4
715.35114	100.0
715.49695	4.3
716.35510	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	715.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.03436	1.7
59.05005	0.5
61.02925	4.2
67.05506	2.6
69.03436	2.3
69.07081	1.0
71.04996	1.3
73.02918	3.1
79.05499	2.0
81.03399	3.4
81.07046	3.3
81.47339	0.4
83.04989	0.9
83.08614	0.9
85.02908	4.6
85.06545	0.6
87.04485	0.5
91.03928	2.5
91.05491	2.9
93.07030	1.9
95.04990	1.2
95.08609	0.7
96.27290	0.4
97.02879	3.3
97.06519	0.5
98.22601	0.8
99.04488	0.8
101.02374	1.5
105.07030	2.2
107.04977	0.4
107.08602	1.7
109.02906	0.9
109.06547	0.6
109.10153	2.2
111.04436	0.4
111.08094	0.9
115.03941	0.5
119.08596	1.3
121.10145	1.1
123.08084	0.5
123.11701	0.5
127.03943	1.1
129.05522	0.4
129.06989	0.5
131.08569	1.0
133.10117	2.7
135.17439	0.4
147.11723	0.5
149.09612	0.9
151.11211	1.7
169.12320	0.5
175.11264	0.5
185.04279	0.8
193.12318	1.7
203.05353	1.0
211.13220	0.4
237.10837	1.8
243.08371	1.9
253.14189	0.6
267.15891	1.1
271.15689	0.4
283.15253	1.4
293.13525	0.9
339.17679	0.6
413.17911	0.9
427.19461	1.1
451.19556	1.6
453.21152	1.0
455.18839	7.5
456.19678	0.5
467.18503	0.4
469.20557	1.7
471.21689	0.8
485.23749	0.7
501.22974	6.8
527.87354	0.4
553.29749	0.6
625.31744	3.0
643.32867	1.1
665.31311	4.1
683.32355	0.5
697.33795	3.0
715.34937	100.0
716.35040	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	715.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01873	0.7
56.45989	0.5
57.03438	2.2
57.06398	0.5
61.02929	5.1
67.05505	6.7
67.52774	0.4
69.03420	3.4
69.07072	1.1
71.01378	0.5
71.04995	6.1
73.02920	3.3
79.05475	2.4
81.03418	1.8
81.07046	5.4
83.04984	0.7
85.02910	4.8
85.06569	1.1
91.03954	3.2
91.05478	3.4
93.07053	3.4
95.05000	0.9
95.08633	1.6
97.02885	5.1
97.06557	1.4
99.04457	0.7
101.02382	2.2
103.03950	0.5
105.07039	1.2
107.08597	2.7
109.02905	0.6
109.10146	4.3
111.08083	0.6
114.46826	0.4
115.03874	0.7
117.07035	0.7
119.08611	0.9
121.10155	1.5
123.11699	0.8
127.03947	1.7
131.08597	0.6
133.10165	1.4
135.11740	1.7
137.09636	1.1
145.04988	0.6
149.13293	1.0
151.11212	0.8
159.11752	0.8
163.11171	0.6
173.11804	1.0
185.04218	1.2
187.13342	0.6
188.93147	0.4
195.09935	0.6
229.14473	0.5
243.08441	3.0
243.15958	0.9
253.14200	1.4
255.23859	0.4
267.15833	1.1
316.53705	0.5
413.17813	2.6
439.19641	0.6
453.20795	2.9
471.21899	5.7
485.23715	8.5
567.31427	1.5
596.31976	1.4
625.31915	15.2
625.41632	1.0
626.32263	1.7
643.30353	1.0
697.36902	1.7
715.38751	100.0
716.39038	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	715.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58888	0.6
55.05519	0.7
57.07086	0.6
63.45681	0.5
65.78359	0.6
67.05511	1.2
69.87299	1.4
69.87619	0.7
70.51972	0.6
81.07060	0.8
87.04479	0.7
90.69844	0.5
91.05507	0.7
91.33237	0.5
93.07053	0.8
93.94485	0.5
125.19872	0.7
129.79454	0.6
133.08633	0.7
133.10332	0.8
146.68375	0.6
168.45396	0.5
176.17963	0.5
178.14139	0.5
185.04256	0.7
203.05316	1.8
259.07990	1.2
347.09518	1.6
365.10422	4.0
421.13049	1.3
553.33484	20.9
554.34161	1.4
644.17358	0.6
682.08478	0.6
715.38690	100.0
716.38947	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	716.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01872	6.8
55.05507	9.2
57.03438	7.4
57.07086	1.4
58.01209	0.7
59.04996	3.2
61.02917	2.7
61.77617	0.8
65.03941	2.9
67.05505	100.0
69.03443	4.6
69.07067	10.2
70.27958	0.8
70.28280	1.2
71.04997	6.3
73.24308	0.8
79.05487	18.5
81.03419	4.2
81.07058	42.8
83.04981	7.8
83.08614	8.0
85.02894	3.8
85.06547	5.7
91.03954	1.0
91.05478	34.6
93.07037	19.9
93.07606	1.3
95.04960	6.5
95.08611	12.4
95.58584	0.7
97.02876	1.7
97.06522	3.8
98.22864	1.0
99.04456	3.3
99.08099	1.1
103.05460	0.9
105.07028	27.5
107.04941	3.8
107.08593	25.4
107.09161	0.6
109.06527	5.6
109.10154	88.1
110.10479	1.2
111.08099	4.0
113.05948	2.2
117.07030	4.2
119.08580	10.3
121.06511	3.1
121.10142	4.6
123.04423	1.2
123.08045	2.5
123.11706	6.5
125.09637	0.9
127.07539	1.6
129.07013	2.1
131.08563	7.7
133.06476	2.3
133.10132	46.1
135.08032	4.4
135.11678	2.6
137.09636	4.5
140.34460	0.8
143.08566	2.7
143.43930	0.9
145.10121	4.2
147.08031	3.1
147.11667	2.4
149.09586	3.9
151.11183	23.3
155.10677	3.0
157.10141	1.5
159.08017	1.2
159.11696	1.5
161.09651	4.5
161.13254	1.4
169.12244	3.8
169.49919	0.8
171.11679	1.3
173.09601	0.9
173.11739	13.8
175.11148	2.2
177.09079	1.2
179.10707	2.3
184.07381	1.2
215.12810	2.9
227.18016	1.2
229.14333	58.8
230.14641	1.5
245.19006	2.7
251.12834	1.1
253.14337	93.7
254.14691	3.1
255.17406	1.6
257.13867	0.9
257.92706	0.9
263.20087	3.3
273.18491	16.6
291.19531	16.5
347.22186	7.5
365.23209	22.9
366.23581	1.1
407.24023	1.8
423.23706	3.0
424.44324	0.9
425.25357	35.7
426.25732	1.7
458.56805	0.9
501.32031	7.2
519.33173	71.5
520.33246	3.6
537.34418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22433	1.1
52.14798	0.8
55.01874	2.4
55.05510	18.3
57.03442	8.5
57.07081	5.4
57.81956	1.0
61.02920	1.6
67.05504	24.0
69.03430	1.4
69.07069	21.6
70.71734	0.9
71.04997	2.3
71.08636	3.3
79.05499	18.4
80.05830	0.9
81.07057	25.4
83.04992	2.2
83.08619	20.5
85.02908	1.1
85.10180	1.5
91.05480	5.7
93.07045	31.1
95.04975	4.0
95.08612	35.7
97.02922	2.8
97.06532	4.0
97.10165	6.6
99.04479	2.9
105.07007	4.6
107.04958	5.2
107.07984	0.8
107.08593	20.9
109.06546	1.0
109.10155	7.2
111.04436	1.3
111.08099	2.4
111.11739	1.5
117.07038	5.7
119.08597	7.4
121.06523	3.3
121.10153	17.7
123.11737	1.4
125.05990	1.6
130.07774	1.1
131.08571	1.3
133.10147	1.6
135.08066	1.1
135.11696	41.2
136.12212	1.0
137.13321	1.2
139.07550	1.0
145.10126	21.4
149.13254	2.3
163.11182	48.7
164.11584	1.5
181.12257	7.5
184.07379	2.0
213.61191	1.4
219.21257	1.1
227.12778	45.5
237.22150	1.1
239.86414	1.0
283.15402	89.2
284.15747	3.7
311.25800	97.4
312.26227	3.4
519.36835	100.0
520.37280	6.2
717.41608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15739	0.4
56.96584	0.6
69.67333	0.8
69.67691	0.9
72.56535	0.4
78.99097	0.4
98.97611	0.6
109.99316	0.4
111.69711	0.4
116.22968	0.5
131.00185	0.5
137.02406	0.9
151.69766	0.5
180.89365	0.4
184.07550	0.6
201.21156	0.4
219.01949	0.5
279.03931	0.5
321.05005	1.4
362.89819	0.5
717.34497	100.0
718.34723	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	717.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.3
55.01877	0.7
55.05505	1.8
57.03431	2.0
57.07072	0.4
60.01114	0.3
61.02932	6.0
67.05507	6.5
67.68511	0.3
69.03434	3.3
69.07072	2.0
70.16339	0.6
71.01354	0.7
71.04990	0.6
73.02924	4.0
79.05495	5.3
81.03423	2.4
81.07063	5.4
83.04994	1.1
83.08632	0.9
85.02908	6.3
87.04484	0.6
91.03959	3.5
91.05486	2.3
93.07056	5.4
95.04988	0.8
95.08611	3.9
95.98412	0.3
97.02898	4.6
97.06555	0.8
97.10184	0.9
98.23443	0.3
99.04478	1.2
101.02377	2.6
103.03938	0.5
105.07055	1.2
107.08595	3.5
109.02910	1.0
109.10142	1.6
115.03990	0.3
119.08588	1.4
121.10162	2.0
123.11743	0.5
127.03924	1.9
131.08615	0.5
133.10188	0.5
135.11700	4.8
145.05016	0.5
145.10175	0.9
147.11812	0.6
153.12830	0.4
163.11230	0.9
181.12315	0.7
184.07358	0.7
185.04289	0.8
203.05231	0.4
221.11594	1.3
243.08484	2.7
255.16060	0.6
277.14130	0.6
283.15411	0.6
311.25992	0.6
335.25824	1.0
439.19455	6.8
519.29327	6.7
520.29767	0.3
520.37323	0.8
529.07904	0.4
696.37811	0.4
717.41803	100.0
718.42120	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	718.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31257	0.6
55.01868	1.7
65.03935	1.1
69.03420	0.8
69.26234	3.5
70.45306	0.7
79.05508	2.0
81.03409	1.1
81.07067	1.1
85.02915	1.9
89.03909	8.4
91.05484	13.8
93.07043	1.8
95.04958	1.7
102.04711	1.3
103.05455	3.1
105.03384	3.3
105.07024	5.4
106.04159	1.5
107.04951	1.6
109.06532	2.1
115.05463	2.1
117.03380	28.3
117.04202	1.5
117.07028	1.0
119.04947	19.4
121.06521	3.9
122.03642	2.9
122.10046	0.7
123.08046	0.8
124.05225	2.3
130.04147	3.2
131.04924	3.0
133.02853	28.4
133.06512	4.1
134.03659	2.0
135.04428	3.7
135.08022	0.7
137.05971	23.1
139.03853	0.9
144.67065	0.7
145.02853	64.8
145.06522	1.7
146.03302	1.3
147.04414	14.9
149.02271	0.8
149.05974	25.4
150.03073	1.3
150.06781	5.7
151.03911	5.3
151.07542	6.2
152.08220	0.7
153.05496	0.8
154.80521	0.7
157.04002	1.4
158.03676	2.1
159.04279	1.2
160.05246	1.1
161.05984	12.0
162.03078	1.2
162.06767	12.2
163.03821	1.1
163.07500	2.0
165.05469	4.7
167.07030	1.0
173.05991	4.6
175.03908	23.2
175.05389	1.4
175.07495	1.1
176.04175	1.1
177.01955	2.7
177.05472	100.0
178.05792	2.1
179.07031	14.8
180.07748	2.2
181.04970	7.9
186.03111	1.8
187.03999	1.1
189.05423	1.1
191.03412	1.2
191.07051	5.9
193.04999	1.3
194.02136	2.0
195.02916	1.0
196.98807	0.8
201.05464	58.8
202.05821	2.6
203.07104	1.4
205.06477	2.5
206.07262	0.8
209.04457	11.6
209.08089	5.1
213.05513	2.3
219.10123	0.9
222.06709	1.2
231.02824	0.8
231.06534	3.2
233.06009	4.9
234.06738	2.5
237.09149	2.2
245.05966	0.9
247.07782	1.3
249.05502	1.0
250.06210	1.8
261.05435	2.2
262.06155	1.8
264.07755	0.9
265.08597	6.1
266.09286	1.0
273.05417	1.2
277.05676	0.7
277.08618	4.2
279.06546	1.2
279.10089	0.8
290.05716	2.3
291.06110	1.1
292.07324	2.6
293.08157	5.7
294.08932	1.7
297.11209	1.3
305.08023	5.5
306.08603	1.0
307.09729	4.0
309.11285	1.3
325.10696	48.6
326.10965	2.3
337.10684	9.9
341.10257	1.3
355.11746	38.9
356.12082	2.3
373.12918	4.4
387.14294	1.9
503.11597	2.1
595.52008	0.8
731.04956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16510	0.3
55.05484	0.3
58.06596	4.5
59.89673	0.3
63.02370	0.7
65.03934	0.5
70.06594	0.8
71.45759	0.3
71.97069	0.3
72.04517	2.9
72.08156	6.2
78.04708	0.5
79.05482	0.9
81.07037	1.2
84.07676	0.3
84.08141	3.9
89.03910	8.8
94.04184	2.6
95.04967	0.7
95.08556	0.4
99.09213	0.4
100.07608	2.1
103.05460	0.4
106.04207	0.3
107.04935	0.6
109.06516	4.1
111.04432	0.5
112.11239	7.9
113.07109	0.5
113.10773	0.7
114.09167	20.4
115.05467	0.5
117.03375	24.4
118.03713	0.6
119.04980	0.3
122.03654	5.3
128.69038	0.3
129.13873	1.1
131.11807	2.3
134.03636	1.6
135.04390	1.4
137.05975	58.2
138.06302	1.1
143.11821	1.5
144.05661	0.4
145.02841	73.1
145.10191	0.4
146.03229	1.1
149.02432	0.3
149.05978	7.8
155.11754	1.9
157.13338	0.4
159.10411	0.3
160.05164	1.5
161.05977	1.0
162.03162	0.5
163.03914	0.8
163.07550	0.4
170.16513	1.3
171.14923	20.6
175.07542	3.2
177.05464	100.0
178.05806	2.3
181.04932	0.6
186.05508	1.4
187.07574	1.0
188.17577	36.4
189.17906	0.7
191.08632	0.4
201.05479	1.9
203.07034	0.8
205.06512	0.4
208.08701	0.3
213.15990	1.0
214.15552	1.0
216.04105	0.7
217.06535	0.5
219.10355	0.6
231.06502	7.2
233.09564	0.3
234.06598	0.9
234.11238	37.9
235.11633	0.7
245.06015	0.4
247.07652	0.4
249.09160	1.2
258.11368	1.2
262.06259	0.9
263.06937	0.3
264.07800	0.4
265.08533	0.5
266.09579	0.4
277.08542	4.0
278.09363	0.3
279.06641	0.6
283.09680	1.1
294.08920	1.2
295.09607	0.5
305.08139	1.5
309.11157	2.9
310.11621	0.4
322.08325	0.7
325.10925	0.5
337.10614	4.4
339.12265	0.7
346.21234	0.9
347.19644	14.7
348.20142	0.8
355.11725	2.9
364.22287	84.5
365.22650	3.8
394.16525	2.0
412.17520	5.0
431.64886	0.4
456.01062	0.3
460.52261	0.4
506.27032	0.5
524.27557	10.3
525.27527	0.8
542.28595	20.7
543.29028	1.4
551.99457	0.3
588.22046	1.8
675.36224	0.3
700.31934	1.5
701.32556	0.5
718.33337	27.1
719.33740	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	718.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04644	0.4
58.06602	4.6
60.04495	0.4
63.02384	0.7
65.03921	0.5
66.04730	0.5
69.31913	1.1
69.32321	1.4
70.06579	1.1
72.04519	3.0
72.08154	6.2
78.04680	0.8
79.05477	1.0
81.07066	2.5
84.08132	4.2
89.03912	8.4
94.04191	2.7
100.07595	2.0
107.04916	0.9
109.06519	4.3
112.11243	7.2
113.10778	0.5
114.09165	19.8
115.05405	0.7
117.03374	25.4
118.03700	0.6
119.06071	0.5
122.03660	5.1
129.13881	1.0
131.11790	2.0
134.03624	1.6
135.04384	1.4
137.05974	64.2
138.06300	1.0
143.11803	1.9
145.02841	75.6
146.03242	1.3
149.05965	7.9
153.05405	0.5
155.11792	1.8
160.05167	1.7
161.05954	1.7
163.03923	0.5
163.07530	0.5
170.16487	1.0
171.14919	18.6
175.07520	3.7
177.05460	100.0
178.05792	2.1
182.87778	0.5
186.05484	0.9
187.07431	0.9
188.17574	36.7
189.07129	0.6
189.09090	0.9
189.17955	0.7
191.07051	0.8
201.05417	1.8
203.07138	0.6
205.04993	0.7
213.15926	0.9
214.15565	0.8
219.10208	1.2
231.06502	6.4
234.11241	35.5
235.11417	0.5
237.09128	0.6
245.06209	0.5
249.09109	1.4
258.11191	1.3
260.12878	0.5
262.06339	1.3
265.08578	0.8
277.08521	4.0
283.09729	0.9
294.08841	1.5
295.09714	1.1
305.08075	1.0
309.11179	3.2
322.08353	0.5
337.10626	4.9
346.21246	0.8
347.19589	16.8
355.11722	3.8
364.22281	98.8
365.22687	5.1
387.14017	0.6
394.16571	2.0
412.17624	4.7
519.90479	0.6
524.27478	11.8
525.27673	0.8
542.28595	24.0
543.28668	1.5
588.14050	0.5
588.21936	2.5
700.31903	1.2
718.33228	29.4
719.33795	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	718.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06561	1.1
72.03018	0.6
72.04504	0.9
72.08160	1.1
79.05457	0.8
81.03372	0.6
89.03925	0.9
89.23647	0.7
89.28436	0.6
93.07018	0.8
94.04179	1.8
95.04937	0.7
95.08590	0.9
96.20100	0.6
98.23545	1.0
102.48119	0.7
105.07006	1.5
113.10788	1.3
114.09164	1.6
114.67956	0.6
115.05511	1.0
117.03372	2.9
117.07028	1.3
119.04982	1.3
122.03635	4.5
129.75021	0.6
130.04118	1.3
131.04970	0.7
133.06548	1.0
137.05977	65.1
138.06354	1.5
139.03908	12.9
143.04890	1.0
145.02840	9.6
145.06482	1.7
147.04408	1.8
149.05948	1.7
151.03886	6.8
155.11792	2.1
158.03633	1.9
161.05983	5.7
162.06787	2.1
163.03845	0.8
171.14966	1.0
173.05978	5.0
175.03842	0.9
177.05473	20.1
177.06973	1.4
178.05754	0.8
178.07729	1.0
185.06021	1.2
186.03130	2.9
187.14639	1.0
188.17575	5.0
189.07004	2.0
190.07683	0.8
191.08589	1.0
201.05464	57.9
202.05736	1.9
204.68532	0.7
205.06520	4.2
206.07196	4.8
207.06522	0.8
213.05469	6.3
214.05965	1.2
214.15448	1.5
217.06526	2.8
218.07219	2.2
219.07922	0.8
220.05081	0.9
221.09619	1.0
222.06708	1.3
223.07562	1.4
229.31499	0.7
231.06349	5.1
233.05988	4.7
233.12796	2.5
234.06758	19.1
234.11247	17.7
235.07536	5.8
237.09064	2.1
245.06023	4.3
246.06670	2.5
247.07588	1.5
248.08363	2.3
249.09077	7.6
250.06276	2.7
251.07031	2.4
252.07736	1.0
259.07553	2.1
261.05457	2.6
262.06259	23.0
263.06927	5.7
264.07834	1.6
265.08646	5.5
266.09335	2.6
272.04721	1.2
273.05478	5.1
274.06210	3.4
275.07040	0.8
276.07797	2.4
277.08594	26.5
278.05707	1.7
278.09128	1.8
279.06531	2.8
279.09750	0.8
280.07181	0.8
281.11819	0.9
287.06961	3.5
288.07910	1.1
289.04553	1.4
289.07156	2.1
290.05734	37.4
291.06296	3.0
291.10010	1.3
292.07254	2.3
293.08102	5.2
294.08896	4.0
295.09634	3.9
304.07312	2.7
305.08078	61.7
306.08524	2.7
307.05994	2.6
307.09647	7.5
308.10632	0.8
309.11218	4.7
319.09656	5.1
321.07285	1.2
322.08359	6.9
325.10666	14.1
326.11105	0.8
337.10681	100.0
337.97342	0.7
338.11014	5.7
346.21240	37.4
347.21326	1.3
355.11758	26.7
356.12082	1.7
364.22296	53.7
365.22607	2.8
521.21729	1.1
524.27191	2.1
542.28729	7.7
688.31769	1.7
718.32971	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	718.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07484	1.0
57.31912	1.0
58.97606	1.2
72.08139	2.6
76.44404	1.0
80.34074	1.2
85.02908	1.0
89.03914	7.4
91.05469	1.9
98.22654	2.2
98.55266	1.0
100.07607	1.5
105.97723	1.1
110.94569	1.3
111.04461	1.2
113.10757	2.7
114.09190	3.9
117.03379	20.0
120.28405	1.1
121.10112	1.3
122.03632	2.4
123.33459	1.1
123.83318	1.1
130.04158	1.4
134.03603	2.0
135.04416	1.8
137.05972	51.6
137.07013	2.7
139.03961	1.5
145.01700	2.3
145.02849	47.7
147.04425	2.3
149.05989	6.1
151.03920	4.6
155.11803	5.1
161.06007	4.2
162.06749	2.2
163.03995	1.4
164.90594	1.5
171.14928	6.0
173.05995	3.2
176.22418	1.1
176.41301	1.2
177.05458	55.7
178.06107	1.2
178.07750	1.8
186.03104	2.1
188.17604	4.6
201.05467	38.1
202.05786	1.3
205.06490	2.0
206.07237	1.9
213.05525	5.1
214.15462	5.8
217.06456	2.3
219.08035	2.4
231.06577	3.1
233.05978	3.1
234.06714	13.6
234.11267	3.7
235.07561	2.8
245.06023	2.4
246.06706	2.4
248.08464	1.7
249.09114	6.7
250.06206	2.1
251.07213	2.0
259.07611	2.1
260.12869	1.5
261.05548	2.4
262.06262	14.8
263.06949	5.7
265.08572	4.7
266.09561	1.8
273.05466	4.1
274.06186	2.2
276.07877	2.6
277.08582	19.0
278.05701	1.6
279.06519	2.8
279.09726	1.4
287.07199	2.7
290.05716	27.8
291.10028	1.4
292.07336	2.2
293.08069	5.5
294.08752	4.0
295.09647	4.6
297.11285	1.3
304.07330	2.5
305.08069	49.4
306.08569	1.3
307.06219	2.4
307.09686	6.6
309.11252	2.9
319.09674	5.1
322.08295	5.2
325.10754	7.3
337.10687	60.3
338.10999	2.8
346.21216	5.6
355.11807	9.3
360.52704	1.4
364.22311	13.0
382.16534	2.9
394.16513	5.1
412.17499	9.6
494.26498	4.3
512.27600	9.1
524.27563	41.9
525.27869	2.6
542.28613	100.0
543.28931	5.9
658.30988	1.8
677.42450	1.5
688.31897	3.6
717.51776	1.6
718.33081	7.4
718.44940	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	718.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01873	3.2
55.05298	1.3
55.05516	14.3
57.03441	10.5
57.07082	1.5
59.04990	3.9
61.02922	2.8
65.03934	4.5
66.11333	0.8
67.05507	100.0
68.05834	1.1
69.03434	5.2
69.07071	15.5
69.38898	1.0
71.04999	4.8
73.02914	1.3
79.05500	20.8
81.03423	7.1
81.07057	42.4
82.48396	0.9
82.51820	0.9
83.04987	6.0
83.08623	10.9
85.02908	5.8
85.06548	3.9
85.46259	0.9
87.04463	1.2
91.03960	1.8
91.05479	25.3
93.07055	25.3
95.04971	6.3
95.08023	1.5
95.08611	17.0
97.02880	3.4
97.06532	6.4
97.10155	4.3
98.23511	1.9
99.08118	1.4
105.04536	1.5
105.07034	15.1
107.04929	4.2
107.08603	18.3
109.06499	3.9
109.10161	74.3
110.10511	1.3
111.08072	4.8
117.07020	7.6
119.08583	16.9
121.06467	2.2
121.10149	6.8
123.08033	1.9
123.11691	1.3
125.09622	4.3
127.03911	2.0
129.07002	2.9
131.08582	8.9
133.10143	11.3
135.08076	2.2
135.11696	7.0
137.09596	4.9
143.08583	2.4
143.12997	1.1
145.10123	5.7
147.11685	6.4
149.09621	6.9
149.13280	6.5
151.11188	1.2
155.08630	1.5
155.10654	4.9
157.10103	1.2
159.11760	5.3
161.13228	1.2
163.11186	4.8
171.11668	1.8
173.04488	1.5
173.11778	19.1
173.13242	3.6
177.12752	2.7
179.14284	1.8
189.11208	2.4
195.13782	2.0
197.13161	1.2
211.13219	1.1
227.12837	8.8
229.14349	65.6
230.14717	1.3
239.17961	2.7
251.16319	1.1
255.15912	4.6
257.19031	5.9
267.15829	1.2
269.17480	12.2
275.20081	15.9
276.20407	1.6
293.21225	1.7
313.17709	1.0
331.22623	2.2
349.23764	17.1
350.23776	1.4
383.24469	1.3
393.05600	0.9
399.23611	2.5
407.28305	1.4
409.25836	20.6
410.25998	1.2
423.27411	59.2
424.27713	5.3
448.63922	1.0
463.30167	1.2
485.32477	1.8
503.26453	2.0
503.33673	31.7
504.34030	2.0
504.54599	1.3
521.34619	8.1
567.31500	2.5
602.34619	0.9
629.80554	0.9
718.36469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
53.81830	0.8
53.94055	0.7
55.01863	2.4
55.05510	11.7
57.03435	11.3
57.07067	1.5
59.05005	4.7
59.05256	0.8
61.02919	2.7
61.17662	0.7
65.03937	2.8
67.05502	100.0
68.05829	1.6
69.03429	5.4
69.07066	13.1
71.01349	1.1
71.05004	5.2
73.02915	1.9
77.98094	0.9
78.60105	1.0
79.05489	23.3
81.03418	5.8
81.07050	41.4
83.04964	4.3
83.08627	9.4
85.02899	4.9
85.06539	3.9
85.75716	0.8
91.05478	21.0
93.07040	29.4
95.04974	6.1
95.08601	18.7
97.02898	3.0
97.06522	7.2
97.10181	2.5
99.04523	0.8
99.08088	1.9
102.51833	0.9
105.07023	13.5
107.04913	4.0
107.08591	20.1
109.02863	1.2
109.06512	3.0
109.10149	73.6
110.10511	1.0
111.08065	5.7
113.09600	0.9
117.07005	8.5
117.50224	0.8
119.08577	14.1
121.06488	2.2
121.10119	5.8
122.83218	0.8
123.08040	1.4
123.11678	1.6
125.09613	1.8
127.03912	2.0
129.06995	1.1
131.08580	6.7
133.06592	1.2
133.10109	10.3
135.08038	2.0
135.11661	7.0
137.09590	5.3
145.10133	6.0
147.11693	5.9
149.02367	3.2
149.09615	5.3
149.13246	6.8
151.11198	1.7
155.08516	0.9
155.10693	3.9
157.10138	2.1
159.11717	5.9
161.13200	2.1
163.11214	3.1
173.04449	1.5
173.11748	18.6
173.13263	2.6
177.12790	2.4
179.14355	2.2
189.11250	1.8
191.14307	0.9
193.04977	5.7
195.13826	3.6
204.07545	0.8
219.13896	1.0
227.12772	1.8
229.14333	60.1
230.14563	1.5
237.07632	1.1
251.16447	1.0
253.14204	1.2
255.15919	4.4
257.19037	2.5
257.95212	1.1
269.10873	1.3
269.17435	17.4
275.20047	11.8
281.17294	1.0
293.20889	1.0
331.22394	1.7
341.06595	1.0
349.23685	10.7
359.07623	1.2
367.24689	2.3
385.09183	2.1
409.25827	21.6
410.26212	1.1
423.27377	85.3
424.27576	6.4
429.11594	5.5
449.28824	4.7
463.30380	1.5
475.30573	4.5
488.18961	1.1
503.33600	17.0
504.33371	1.5
507.32950	2.0
517.45398	0.9
521.34723	6.6
567.31195	2.4
718.38354	5.8
719.36792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01870	1.9
55.05509	10.0
56.30984	0.8
57.03437	9.3
57.07076	29.5
61.02910	2.0
66.22765	0.7
67.05174	0.9
67.05508	17.0
68.21022	0.7
69.03416	1.0
69.07071	10.9
71.04978	2.6
71.08630	22.8
71.30132	0.7
73.02938	1.1
74.84331	0.7
79.05490	16.1
81.03410	1.5
81.06564	1.1
81.07052	21.6
83.04973	2.4
83.08625	12.8
85.02891	1.0
85.09707	1.1
85.10183	12.9
89.06017	2.2
91.05476	3.7
93.07043	24.5
95.04956	4.7
95.08605	45.2
96.08949	1.1
97.02888	4.6
97.06526	3.0
97.10148	3.0
98.23499	1.9
99.04459	3.2
103.07543	0.8
105.05125	0.7
105.07024	3.9
105.49471	0.7
107.04967	6.8
107.08589	21.4
109.06494	1.4
109.10146	7.8
111.04440	1.2
111.08070	1.2
111.11695	1.4
117.07028	6.6
119.08582	6.3
121.06488	3.4
121.10127	10.3
123.11700	2.3
125.05984	2.8
130.07771	1.6
131.08589	1.0
133.10118	2.1
135.08035	1.7
135.11687	43.7
137.13199	1.1
139.07492	1.3
139.11119	0.9
145.10120	25.9
149.13245	0.7
153.12726	1.4
155.08577	0.7
158.39241	0.7
163.11172	60.3
164.11502	2.2
173.09601	1.1
181.12212	10.3
209.11806	1.4
227.12769	61.8
228.13164	1.1
239.23656	2.0
257.24677	2.2
283.15396	87.0
284.15775	3.1
306.27820	0.9
313.27356	100.0
314.27634	5.0
495.33331	0.9
521.38367	96.4
522.38629	7.3
622.27057	1.0
631.92004	0.8
719.42920	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	718.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01860	2.6
55.05511	25.3
57.03183	1.3
57.03439	14.6
57.07064	4.2
61.02923	3.8
67.05502	27.0
69.03416	2.9
69.06708	1.9
69.07069	24.5
69.95229	3.1
71.04984	2.8
71.08620	2.7
73.02932	1.3
79.05490	19.1
81.03416	40.8
81.07053	34.4
82.03713	1.2
83.04972	10.4
83.08126	1.9
83.08616	26.7
85.02901	20.6
85.06551	1.2
85.10139	1.1
91.05474	20.3
93.07039	18.8
95.04970	20.1
95.08603	18.8
97.02885	4.2
97.06521	6.5
97.10165	11.3
103.03909	1.2
105.07027	15.7
107.04968	3.1
107.08580	8.9
109.06539	4.0
109.10172	4.1
111.04475	1.3
111.08074	8.9
113.06013	2.6
115.05458	1.2
119.08581	12.4
121.06522	1.2
121.10142	15.6
123.08051	2.3
123.11707	3.4
124.99935	1.1
125.09621	1.3
129.07024	7.0
131.08565	7.5
133.06581	1.2
133.10144	8.2
135.11665	7.2
137.13245	1.7
142.07762	2.0
147.07980	2.0
147.11652	10.6
149.09637	4.2
149.13214	2.2
157.10098	9.8
165.12749	1.6
175.11177	10.1
184.07310	4.9
188.72491	1.1
193.12234	31.8
200.39639	1.0
211.13290	48.8
212.13606	1.7
237.22150	3.1
267.15924	18.5
285.16940	64.8
286.17279	2.6
311.25781	65.5
312.26157	2.9
379.32809	1.2
503.37320	14.9
504.37769	1.2
521.38373	100.0
522.38843	8.1
718.44092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23625	0.8
53.03942	1.5
55.01862	1.8
55.05257	1.5
55.05513	17.1
55.05780	1.1
57.03220	0.7
57.03445	7.4
57.07079	4.5
61.02913	1.3
67.05506	16.4
69.03415	2.7
69.06717	1.1
69.07071	16.9
71.04988	2.5
71.08614	2.7
73.02930	0.9
78.63206	0.7
79.05488	11.9
81.03418	35.2
81.07056	22.6
82.50643	0.9
83.04992	6.7
83.08624	22.4
85.02901	12.1
85.06523	1.4
85.10170	1.0
86.09715	0.8
86.22588	0.7
91.03957	0.9
91.05484	12.3
93.07043	12.0
95.04971	13.1
95.08612	14.5
97.02892	1.3
97.06528	2.1
97.10183	6.1
105.07024	8.6
107.04926	2.3
107.08593	7.4
109.06544	2.4
109.10143	5.3
111.04425	1.5
111.08071	6.5
111.11720	2.0
113.06008	1.5
117.07024	1.2
119.08575	7.2
121.06519	1.6
121.10138	11.2
123.11696	2.3
125.09634	1.4
129.07013	4.0
131.08588	2.8
133.06473	0.9
133.10132	4.2
135.08031	0.8
135.11697	7.8
136.12015	1.0
137.13234	2.1
142.07797	1.0
142.27180	0.8
145.10147	1.7
147.08099	1.4
147.11662	7.2
149.09619	2.6
149.13300	2.0
153.12688	0.9
157.10191	6.2
163.11110	1.9
163.14822	0.8
165.12807	1.9
175.11217	8.6
184.07246	1.4
193.12241	23.7
201.61888	0.8
211.13290	32.3
212.13644	1.4
219.21169	1.1
227.12799	1.0
228.13084	0.9
267.15906	10.9
283.15393	2.2
284.15878	1.7
285.16949	31.4
311.25769	45.4
312.26111	3.4
503.37213	7.7
521.38373	100.0
522.38654	5.2
718.41785	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	719.361
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05523	0.5
95.08612	0.5
98.97608	0.6
115.47202	0.5
131.00224	0.6
163.02988	0.4
170.99722	0.5
228.58212	0.5
321.05011	1.0
512.74213	0.4
655.87134	0.5
719.36139	100.0
720.36487	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	719.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04585	0.6
50.84362	0.7
53.03934	0.9
53.11460	0.7
55.01855	0.8
55.05500	1.8
57.03429	2.2
57.07071	1.9
61.02926	7.0
64.67575	0.7
67.05501	7.9
68.90849	0.7
69.03430	3.2
69.07067	2.3
71.05001	0.9
71.08617	1.1
73.02905	4.1
75.37434	0.7
77.57430	0.7
79.05495	3.2
81.03421	2.8
81.07058	7.2
83.08601	2.7
85.02901	6.2
90.35625	0.7
91.03947	3.9
91.05467	2.1
92.61480	0.7
93.07048	4.4
95.02999	0.7
95.04974	2.3
95.08598	4.1
97.02901	5.7
97.06480	0.7
98.22688	1.2
99.04454	1.4
101.02389	2.5
105.07069	1.0
107.08601	2.9
109.02885	1.8
109.10176	2.7
119.08612	1.2
121.10171	2.0
127.03927	1.7
133.41905	0.9
135.11694	2.8
145.10133	0.9
163.11200	1.5
164.11589	0.9
181.12198	0.8
181.52678	0.8
211.13376	0.8
221.11514	1.4
227.12752	0.9
243.08424	2.4
283.15488	1.6
284.15811	0.9
285.16986	1.0
313.27280	4.2
314.27814	2.7
337.27420	0.9
383.29541	0.7
421.26108	0.8
439.19394	3.8
470.04666	0.9
505.38107	0.8
521.31018	5.8
521.38098	1.3
522.38898	3.2
523.40289	2.7
626.82117	0.8
685.82794	0.8
719.43353	100.0
720.43640	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	719.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40031	0.3
53.03942	0.5
55.05500	1.7
57.03438	2.6
57.07077	0.5
61.02633	0.5
61.02924	5.9
67.05502	5.2
69.03429	3.3
69.07060	1.8
71.04985	0.6
73.02919	4.3
74.25320	0.3
79.05499	3.5
81.03421	2.6
81.07056	6.8
82.07413	0.3
83.04990	0.5
83.08618	1.4
85.02899	5.2
86.09704	0.3
87.89822	0.4
91.03954	3.8
91.05479	2.4
93.07041	3.1
95.04968	0.5
95.08607	3.9
97.02895	4.8
97.06555	0.4
99.04465	0.9
101.02386	1.8
105.07026	1.9
107.08583	1.6
109.02907	0.9
109.10178	1.3
111.08042	0.4
115.03906	0.3
117.06886	0.3
119.08610	1.1
121.10141	2.0
123.11747	0.5
127.03906	1.9
131.08580	0.7
131.85684	0.4
133.10150	0.6
135.11665	0.7
145.04999	0.3
145.10153	0.7
147.11702	1.5
179.19153	0.3
184.07431	1.0
185.04247	1.0
187.14926	0.3
193.12267	0.4
203.05382	0.5
211.13350	0.6
223.13040	0.7
243.08496	1.5
267.15997	0.3
285.16916	0.4
311.25754	0.5
335.25668	0.7
441.20834	4.0
456.11121	0.4
505.38550	0.5
519.29291	8.2
520.29480	0.5
522.38489	0.9
719.43384	100.0
720.43591	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	720.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98067	0.5
53.03944	2.2
55.01867	1.8
55.05510	5.7
57.03432	5.6
57.07063	0.5
65.03931	0.7
67.05504	18.0
69.03434	0.9
69.07063	3.9
71.04977	1.3
73.06544	0.7
76.70570	0.5
77.03910	0.6
79.05488	26.1
81.03413	33.4
81.07053	14.7
83.04979	5.9
83.08608	7.1
85.02929	0.9
85.06555	1.2
85.84304	0.5
88.34512	0.5
91.05477	21.2
93.07040	21.3
95.04962	15.0
95.08605	8.4
97.02896	1.4
97.06538	2.0
97.10168	2.4
98.23433	1.4
105.04501	1.4
105.07026	14.8
105.07735	0.7
106.37354	0.5
107.04943	3.1
107.08595	4.3
109.06514	3.3
109.10171	1.7
111.08103	2.9
115.05441	0.7
117.07034	2.4
119.08572	10.4
121.06499	1.6
121.10117	3.0
123.08054	2.5
125.72168	0.5
129.06998	8.1
131.08574	3.2
133.06505	1.7
133.10129	4.8
135.08153	0.7
135.11700	1.1
137.09669	0.8
142.07761	0.8
143.08553	3.7
145.06660	0.5
145.10118	4.5
147.08061	2.0
147.11676	12.9
149.09615	1.8
157.10118	3.1
159.11670	0.6
161.09612	2.0
161.13222	3.6
163.11179	0.9
165.12711	0.6
171.11667	8.4
175.11191	2.9
189.12758	2.5
193.12250	7.2
207.13802	8.4
208.87570	0.6
225.14883	0.7
242.66055	0.5
249.14838	1.0
267.15884	29.6
267.70193	0.5
268.16281	1.0
281.17453	38.3
282.17850	1.6
421.25977	0.8
447.27240	0.7
455.28024	1.0
473.28958	100.0
474.29340	7.5
491.30035	3.1
515.30078	2.3
581.31122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70929	0.4
53.03940	0.8
55.01879	0.5
55.05511	6.9
57.03436	6.2
57.07074	15.5
59.05013	0.6
60.21542	0.5
61.02929	1.4
61.56545	0.4
62.27944	0.4
67.05508	10.6
69.03436	1.8
69.07066	5.2
69.19556	2.3
71.04991	1.8
71.08270	0.9
71.08635	10.7
79.05489	6.4
81.03416	28.9
81.07055	14.6
83.04990	4.9
83.08618	13.1
85.02908	10.4
85.06552	0.8
85.10181	6.5
91.03960	0.5
91.05481	8.6
93.07053	4.4
95.04969	9.7
95.08604	11.8
97.02899	2.1
97.06519	1.6
97.10148	2.7
97.47353	0.4
98.23431	1.0
102.36131	0.4
103.05487	0.5
105.07025	6.8
107.04942	2.2
107.08578	2.5
109.06510	2.3
109.10155	3.4
111.04423	0.9
111.08076	3.7
113.05994	0.6
115.05472	0.9
117.07026	0.6
119.08579	6.6
121.06516	0.9
121.10137	3.3
123.08093	1.2
123.11725	2.0
129.07005	3.0
131.08572	4.1
133.06514	0.9
133.10123	2.9
135.11694	0.5
137.09645	0.5
137.13217	1.0
142.07719	0.7
145.10135	0.8
147.07999	1.1
147.11678	5.3
149.09607	2.4
157.10104	4.6
165.12720	0.9
169.66171	0.5
175.11159	5.7
193.12241	17.0
194.12726	0.9
211.13289	30.1
212.13602	1.0
227.12833	0.5
239.23669	0.6
267.15945	8.0
283.15509	1.0
284.15820	0.5
285.16946	33.1
286.17261	1.3
313.27353	38.2
314.27777	2.5
505.38834	8.6
506.39352	0.8
522.38593	0.7
523.39923	100.0
524.40240	8.4
612.79602	0.6
622.26880	0.7
623.28241	4.5
720.43896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01869	2.4
55.05508	16.9
57.03437	20.8
57.07076	62.7
59.05002	1.2
61.02919	6.3
67.05502	33.7
69.03419	3.7
69.07069	13.4
69.33508	2.4
69.33913	3.9
70.56477	1.0
71.04996	5.5
71.08630	30.4
73.02916	1.6
73.84233	1.0
79.05501	20.7
81.03419	53.3
81.07056	36.6
83.04982	13.5
83.08621	33.4
85.02901	26.1
85.06526	2.2
85.10178	15.4
87.04474	5.2
89.06033	28.5
91.03958	2.0
91.05479	35.2
93.07047	18.1
95.04406	2.2
95.04967	20.3
95.08608	31.0
97.02891	5.7
97.06524	4.5
97.10180	8.7
98.23530	1.9
99.08076	2.1
103.07561	1.6
105.07025	22.1
107.04939	7.0
107.07005	1.2
107.08597	7.1
108.91477	1.2
109.06506	4.8
109.10168	15.1
111.04453	2.9
111.08088	10.2
111.11688	1.7
112.92732	1.1
113.05997	2.7
115.05399	1.3
117.06962	1.6
119.04931	1.6
119.08582	18.2
121.06517	9.2
121.10165	8.7
123.08078	2.4
123.11721	6.0
129.07005	9.5
131.07025	2.2
131.08546	9.9
133.06487	2.2
133.08597	16.1
133.10100	11.2
135.08032	1.8
135.11661	2.5
137.09590	2.8
137.13235	2.3
142.07793	2.5
145.10138	2.8
147.08047	5.6
147.11676	14.6
149.09608	7.1
149.13295	1.3
157.10130	15.4
165.09111	3.0
165.12721	1.4
175.09764	1.3
175.11169	13.7
177.11208	7.5
177.12666	2.4
184.07317	1.6
193.12238	38.8
211.13295	54.9
212.13593	2.3
221.13618	1.5
228.27919	1.1
233.18968	1.2
239.23763	3.2
257.24744	1.9
267.15918	19.7
277.21545	2.9
285.16962	73.4
286.17334	1.8
287.18530	2.1
311.25534	1.6
313.27341	82.8
314.27667	3.8
333.27832	2.8
362.99655	1.1
453.34454	1.2
465.35770	7.7
505.38950	13.5
523.39929	100.0
524.40271	10.5
535.30695	3.1
591.37384	3.8
647.43671	4.0
703.49988	2.5
720.52472	3.1
721.42914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13449	0.3
53.03946	0.5
55.05521	1.2
57.03437	1.4
57.07069	0.7
59.34870	0.4
60.08153	0.5
61.02927	3.7
67.05507	2.6
69.03424	1.9
69.07073	1.9
69.34595	1.5
71.01340	0.5
71.05009	0.5
71.08655	0.5
73.02895	2.9
79.05499	1.6
81.03434	1.4
81.07069	3.4
83.08640	1.7
85.02905	3.1
86.09692	0.8
90.39132	0.3
91.03963	2.4
93.07039	2.0
95.04993	0.5
95.08612	2.6
95.09142	0.4
97.02888	3.4
97.06604	0.4
97.10179	0.8
98.22694	0.8
99.04465	0.6
101.02403	1.1
105.07049	0.7
107.08602	1.5
109.02906	0.4
109.10175	0.8
119.08580	0.6
121.10131	2.0
123.11742	0.6
125.00002	0.5
127.03944	1.0
135.11696	3.4
145.10159	0.9
152.94136	0.4
163.11232	2.8
181.12257	0.6
184.07346	3.2
185.04305	0.6
185.07652	0.8
203.05202	0.5
219.09904	0.6
227.12692	2.3
243.08542	1.8
249.10957	8.9
285.17175	0.5
305.13550	1.8
311.25833	0.7
314.27725	0.5
467.18903	10.8
468.19110	0.6
495.29297	6.0
506.39658	0.6
524.40314	0.7
545.20685	0.4
569.39392	0.4
651.73083	0.4
721.41296	100.0
722.41681	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	721.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13449	0.3
53.03946	0.5
55.05521	1.2
57.03437	1.4
57.07069	0.7
59.34870	0.4
60.08153	0.5
61.02927	3.7
67.05507	2.6
69.03424	1.9
69.07073	1.9
69.34595	1.5
71.01340	0.5
71.05009	0.5
71.08655	0.5
73.02895	2.9
79.05499	1.6
81.03434	1.4
81.07069	3.4
83.08640	1.7
85.02905	3.1
86.09692	0.8
90.39132	0.3
91.03963	2.4
93.07039	2.0
95.04993	0.5
95.08612	2.6
95.09142	0.4
97.02888	3.4
97.06604	0.4
97.10179	0.8
98.22694	0.8
99.04465	0.6
101.02403	1.1
105.07049	0.7
107.08602	1.5
109.02906	0.4
109.10175	0.8
119.08580	0.6
121.10131	2.0
123.11742	0.6
125.00002	0.5
127.03944	1.0
135.11696	3.4
145.10159	0.9
152.94136	0.4
163.11232	2.8
181.12257	0.6
184.07346	3.2
185.04305	0.6
185.07652	0.8
203.05202	0.5
219.09904	0.6
227.12692	2.3
243.08542	1.8
249.10957	8.9
285.17175	0.5
305.13550	1.8
311.25833	0.7
314.27725	0.5
467.18903	10.8
468.19110	0.6
495.29297	6.0
506.39658	0.6
524.40314	0.7
545.20685	0.4
569.39392	0.4
651.73083	0.4
721.41296	100.0
722.41681	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	722.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30302	0.5
53.03921	1.7
55.01876	2.5
55.05508	6.6
57.03439	8.2
57.07052	0.5
65.03944	0.4
67.05504	11.9
68.05844	0.6
69.03432	2.4
69.07069	4.1
69.29372	1.6
69.29784	1.1
71.01335	0.4
71.04990	2.2
73.02879	0.7
79.05058	0.9
79.05494	14.4
81.03418	43.4
81.07056	13.1
82.03730	0.6
83.04985	3.6
83.08138	0.7
83.08621	11.8
85.02888	0.7
85.06535	0.6
91.04945	0.7
91.05476	11.1
93.07046	20.3
95.04965	13.9
95.08606	19.8
97.02885	2.8
97.06538	2.3
97.10120	1.5
98.22715	0.9
99.04424	2.1
99.08062	1.3
103.05461	0.7
105.04520	0.5
105.07038	9.1
107.04967	5.6
107.08596	17.1
107.09333	1.0
108.08876	0.7
109.02831	0.6
109.06535	2.8
109.10126	2.5
111.04423	2.2
111.08089	4.2
115.05427	0.9
117.07005	4.7
119.07749	0.9
119.08572	11.0
121.06526	4.0
121.10141	9.4
123.08051	1.3
123.11684	0.6
125.05934	1.8
125.09563	0.8
129.06999	4.3
130.07849	1.0
131.08580	4.4
133.06488	1.3
133.10136	4.5
135.08034	1.6
135.11688	26.9
136.11955	0.8
137.09584	1.1
139.07487	1.5
142.07753	1.4
143.08495	1.1
145.10127	16.9
146.10426	0.6
147.07993	1.9
147.11661	4.1
149.09612	2.8
157.10149	5.6
163.11180	39.7
164.11472	1.0
165.12712	1.4
173.09604	0.7
175.11194	5.4
181.12228	8.2
193.12238	11.8
209.11694	1.4
211.13321	1.6
223.13300	0.7
227.12773	43.4
228.13184	1.3
249.14722	1.2
267.15906	95.3
268.16135	2.9
281.17358	0.7
283.15396	58.5
284.15674	2.0
303.40793	0.5
374.08603	0.5
461.29315	0.7
475.26904	100.0
476.27240	7.1
489.28305	0.9
493.27893	1.6
507.29636	1.5
517.28021	1.2
523.30963	0.6
560.36292	0.5
596.09979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01876	0.8
55.05499	1.6
55.72733	0.7
57.07075	33.5
59.04986	1.3
60.08162	0.9
67.05497	2.4
69.03429	0.8
69.07065	3.4
71.08630	41.4
73.02921	1.2
73.06550	3.0
77.03918	0.8
79.05482	1.3
81.07059	1.6
83.08616	1.5
85.02914	0.6
85.10179	2.3
85.65174	0.6
86.09704	5.5
87.04467	24.7
89.06029	100.0
90.06393	1.1
91.05478	10.1
91.07631	0.7
93.07029	7.0
95.04966	4.2
95.08600	2.1
98.23469	2.0
103.03968	0.7
103.05467	2.3
104.10772	0.8
105.04498	1.1
105.06998	4.8
107.04975	1.2
107.07059	2.3
107.08606	3.1
109.10139	1.3
117.07019	2.0
117.09139	1.2
118.07796	1.7
119.04956	3.3
119.08590	9.4
121.06500	20.3
121.10165	2.3
121.84615	0.6
123.08084	1.1
124.99178	0.6
124.99973	3.6
129.06993	0.8
130.08629	2.8
131.07025	11.2
131.08546	1.1
133.08603	66.4
134.08954	1.2
135.08064	3.8
135.10191	0.7
135.11699	2.0
145.10153	0.9
147.06876	0.8
147.08043	13.3
147.11684	1.2
148.82889	0.6
149.09628	3.2
150.06744	1.8
159.11705	1.1
163.11211	1.9
165.09106	8.4
167.10699	2.2
173.13271	0.8
175.09673	8.3
175.11110	1.2
177.11212	29.9
177.12764	1.5
179.12773	0.7
184.07330	18.6
184.08884	1.2
191.10661	3.4
193.12283	2.1
209.11758	4.7
209.76720	0.7
211.13301	3.9
219.12247	2.2
219.15848	0.6
221.13803	6.5
221.15643	0.8
223.10893	0.7
235.13190	3.5
239.15009	1.0
247.20563	19.2
247.22945	1.2
253.14256	1.8
255.15956	2.3
265.16510	2.2
273.22089	3.5
279.15936	1.7
283.17548	3.0
289.25266	1.5
291.23163	25.5
292.23578	1.5
299.18619	1.0
309.19128	1.9
317.24762	2.5
323.18326	1.2
327.20264	1.3
335.25824	8.5
343.21210	0.7
353.21658	1.5
579.33521	2.7
585.50952	0.7
684.95831	0.8
705.47687	14.6
706.47339	1.0
722.51251	14.9
723.39502	2.3
723.51361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05512	2.4
57.03439	2.1
58.01012	0.5
61.02927	4.3
62.54121	0.5
67.05508	10.7
69.03434	2.7
69.07086	2.2
71.04999	1.4
73.02921	3.5
79.05493	3.7
81.03424	3.1
81.07056	6.6
83.05000	0.8
83.08632	1.7
85.02906	4.5
85.06525	0.5
87.04489	0.5
91.03967	1.9
91.05479	3.9
93.07046	4.0
95.04984	1.1
95.08602	3.1
97.02882	3.0
97.06531	1.0
97.10183	1.0
101.02396	1.6
105.07028	2.3
107.04963	0.6
107.08617	2.0
109.02902	0.6
109.10164	7.8
111.08067	0.6
117.07053	1.0
119.08569	1.8
121.10175	1.3
123.11725	0.8
127.03936	1.2
131.08600	0.8
133.10170	1.8
135.11728	0.9
139.73206	0.4
144.99031	0.5
145.10056	0.7
147.11771	1.0
149.13286	0.5
157.10071	0.7
159.11674	0.5
173.11777	2.0
183.35983	0.4
184.07416	0.5
193.12299	0.5
195.10005	0.7
205.10175	0.4
217.72966	0.6
229.14337	0.8
243.08394	2.8
269.17477	0.8
333.20416	1.9
339.04504	0.5
360.56906	0.5
389.23016	0.6
413.17795	9.7
439.19525	0.6
453.20914	0.8
462.29681	0.7
469.31750	0.6
476.31268	0.8
495.33206	0.8
497.40231	0.5
527.35620	0.9
551.28265	5.6
552.27734	0.6
625.31830	0.6
656.34851	0.5
660.73773	0.6
687.40344	0.6
723.39233	100.0
724.39648	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	723.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01888	0.4
55.05511	1.7
57.03440	1.2
59.05011	0.6
61.02928	4.9
66.06398	0.3
67.05504	8.7
69.03426	2.2
69.07081	1.1
71.01350	0.6
71.04996	1.3
73.02923	2.3
79.05505	2.6
81.03429	2.3
81.07055	5.7
83.04998	0.5
83.08627	1.2
85.02908	4.0
86.51243	0.4
87.04481	0.7
89.06046	0.4
91.03957	2.7
91.05476	2.8
93.07037	3.5
95.04985	0.8
95.08591	1.9
97.02897	3.6
97.06538	0.6
99.04465	0.6
101.02396	1.4
103.03970	0.4
105.07061	1.5
107.04993	0.5
107.08592	1.8
109.02889	0.5
109.06506	0.4
109.10164	6.6
111.08105	0.5
112.58595	0.3
112.64892	0.3
115.99332	0.4
117.07035	0.9
119.08580	1.8
121.10181	1.1
123.08147	0.4
124.14110	0.3
125.09689	0.5
127.03929	1.6
129.05441	0.4
131.08517	0.7
133.10103	1.7
135.08028	0.5
135.11748	0.7
137.98770	0.3
145.04843	0.5
147.11752	0.6
149.09666	0.4
149.13255	0.7
151.11168	0.4
155.10724	0.4
159.11739	0.5
163.53220	0.4
173.11748	2.1
185.04219	0.6
193.12332	0.4
195.10010	0.8
195.11778	0.3
218.27184	0.3
229.14442	1.4
243.08427	2.7
251.12674	0.6
267.15891	0.7
269.17603	0.6
322.69861	0.3
333.20605	1.7
411.20706	0.3
413.17816	10.1
414.18512	0.5
439.19708	0.9
453.20627	1.6
469.20590	0.5
476.30795	1.0
527.35376	0.5
543.36658	0.3
551.28345	4.3
625.32043	0.4
665.35492	0.9
723.39215	100.0
724.26904	0.6
724.39594	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	723.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.03435	2.4
57.07078	4.3
60.08180	0.8
61.02927	3.8
67.05507	4.1
67.50983	0.7
69.03429	2.1
69.07066	1.3
71.04987	0.9
71.08638	3.8
73.02921	3.4
79.05494	2.0
81.03422	1.5
81.07060	7.6
82.11873	0.6
83.08631	1.9
85.02908	5.2
85.10181	1.9
86.09701	6.6
91.03966	3.0
91.05475	1.4
93.07047	2.5
95.08615	4.7
97.02889	3.8
101.02383	1.6
107.08591	2.0
109.02869	1.1
109.10144	2.1
116.37397	0.7
117.07050	1.1
121.10151	0.8
123.11749	1.0
125.00007	3.6
135.11629	1.2
137.13217	0.8
138.71022	0.6
151.15302	0.7
163.11226	0.9
184.07347	20.5
185.07687	2.3
192.73436	0.7
216.46638	0.8
229.75648	0.7
231.09853	0.7
243.08501	1.6
243.15984	1.3
249.10988	9.0
269.17358	1.0
270.17853	1.7
287.18652	2.4
288.18933	1.6
313.27286	2.2
314.27731	1.6
467.18686	3.8
481.38739	3.9
482.39243	7.2
497.30637	8.0
500.27414	0.8
525.41412	0.9
526.42065	1.7
722.62152	0.8
723.42743	100.0
724.43237	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	723.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.4
55.01884	0.3
55.05522	0.4
57.03434	0.8
57.07079	2.7
58.91932	0.3
61.02930	3.1
61.59083	0.3
64.73160	0.3
67.05508	1.4
69.03401	1.6
69.07079	0.7
69.62245	1.3
71.08633	2.2
71.08987	0.3
73.02910	2.2
79.05498	1.0
80.25518	0.3
81.03441	0.9
81.07044	1.6
83.08630	1.0
84.48746	0.3
85.02904	2.4
85.10197	1.0
86.09693	1.1
87.04462	0.4
91.03967	1.1
93.07058	1.0
95.08604	2.4
97.02899	2.9
98.22717	0.4
99.04438	0.4
101.02386	1.1
102.11816	0.3
107.08612	1.0
109.02891	0.5
109.10176	0.8
111.04429	0.3
115.50317	0.4
117.07008	0.4
119.08611	0.5
121.06455	0.5
121.10153	0.7
125.00012	0.8
125.76760	0.3
127.03954	0.6
133.47655	0.3
135.11685	1.6
145.10181	1.2
163.11206	2.1
184.07320	4.1
185.07661	0.5
219.09906	0.7
224.38571	0.3
227.12709	2.0
239.23752	0.4
243.08461	1.2
249.10956	5.8
258.31952	0.3
305.13699	1.3
313.27466	0.8
392.07968	0.4
467.18875	7.9
467.25555	0.4
468.19244	0.4
497.30829	4.2
497.44629	0.3
529.04816	0.3
581.34369	0.3
723.42786	100.0
724.43280	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	724.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03946	0.6
55.01879	0.7
55.05505	4.5
57.03439	0.4
57.07066	0.4
61.02933	0.5
65.03943	0.4
67.05499	1.7
68.43679	0.3
68.99811	0.4
69.03427	3.4
69.07069	9.8
69.90017	0.7
71.04990	1.1
73.02917	0.6
79.05489	1.6
81.03417	3.0
81.07061	5.0
81.75436	0.3
83.04973	0.8
83.08631	3.1
85.02899	8.3
87.00831	3.9
91.05482	6.3
93.07042	3.9
95.04965	0.7
95.08602	6.1
96.82238	0.3
97.02878	3.0
98.40326	0.3
99.04445	1.1
103.05456	0.8
105.01865	7.6
105.07029	17.0
107.08597	9.5
109.02879	2.0
109.10159	2.0
110.63127	0.3
115.03884	0.4
117.06996	2.0
117.10693	0.3
119.08578	60.9
120.08900	1.0
121.10148	4.7
127.03910	5.6
131.08549	1.3
133.10121	27.6
134.10458	0.7
135.11670	4.3
137.05972	0.3
137.09656	0.4
143.08557	0.5
145.04922	2.4
145.10124	1.3
147.11653	4.3
157.10110	0.3
158.10872	0.3
159.02879	1.0
159.11713	0.4
160.12462	1.0
161.13246	0.9
171.11714	0.5
173.13301	1.7
175.14816	100.0
176.15137	2.9
177.16353	0.8
185.13261	0.4
193.15886	6.2
213.03928	0.5
217.15817	0.4
231.04971	2.5
249.06065	2.5
268.11981	0.4
301.08920	0.3
301.18048	0.3
319.04126	0.3
319.10236	0.6
335.14725	0.4
387.17792	0.4
405.19113	0.9
464.33255	0.3
541.68707	0.3
584.98639	0.3
724.33636	0.5
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
55.05506	14.3
57.03429	12.4
58.75245	3.6
59.48808	3.9
67.05503	21.0
69.03424	5.0
71.43738	3.7
74.50917	3.3
79.05496	18.9
80.39899	3.3
81.03416	72.0
81.07059	20.6
81.07503	4.2
83.04970	6.3
83.08628	17.7
85.02885	9.0
85.96317	3.9
91.05477	15.2
93.07043	9.7
95.04967	23.5
95.08617	8.7
97.10168	7.5
100.66232	2.9
105.07044	16.2
107.04946	6.4
107.08585	5.2
109.06488	5.0
109.10114	6.1
111.08073	7.6
112.86058	3.2
113.05997	5.0
119.08578	13.1
121.10117	7.3
125.09631	5.0
127.07597	3.6
127.78687	3.8
129.07024	8.1
131.08586	8.3
131.79193	3.5
133.10136	9.9
147.08037	4.0
147.11674	9.6
149.09546	5.2
151.11188	3.9
157.10153	13.1
165.12813	4.6
175.11134	4.7
193.12274	25.3
211.13286	17.6
252.94788	3.9
264.44757	3.5
267.15887	44.5
285.17004	25.0
367.22903	5.7
385.23730	8.0
403.24622	5.9
423.39243	4.2
459.27405	50.7
477.28442	100.0
478.28714	8.8
495.29590	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	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37608	0.8
53.03943	3.2
55.01871	3.4
55.05509	9.5
56.95950	0.8
57.03431	12.0
61.63881	0.7
62.91768	0.7
65.03947	1.3
67.05499	17.5
69.03426	2.8
69.07058	4.2
71.04991	2.3
79.05486	18.4
81.03411	76.4
81.07051	16.6
83.04979	8.5
83.08614	20.7
83.09100	1.4
84.35428	0.7
85.02903	12.9
85.06549	1.4
91.05479	22.7
93.07038	13.8
95.04963	27.5
95.08601	6.7
97.02887	2.4
97.06528	2.2
97.10178	4.7
98.22599	1.5
103.75723	0.7
105.04567	1.1
105.07023	17.0
107.04950	9.0
107.08582	5.4
109.06531	5.3
109.10151	3.5
111.04420	1.5
111.08065	6.7
113.06037	1.5
115.05457	1.4
117.07015	2.5
119.04926	1.6
119.08578	14.4
121.06530	4.5
121.10136	7.0
123.04426	1.4
123.08086	2.7
123.11734	1.2
125.09624	3.2
128.06262	0.9
129.06996	11.0
131.04947	1.2
131.08556	11.3
133.06505	2.8
133.10098	9.8
135.08087	1.4
137.09630	2.2
141.06958	1.0
142.07758	3.1
143.08537	1.0
145.06456	4.1
145.10121	3.8
147.08052	4.6
147.11673	11.4
149.09608	6.8
151.11188	1.0
155.08589	1.2
157.10110	13.0
159.08052	0.9
159.11722	1.0
161.06039	0.8
163.11201	1.9
165.12749	3.0
171.08057	1.6
171.11684	1.0
175.11177	11.4
189.11156	1.4
189.12737	1.0
193.12231	33.7
194.12683	1.0
195.11644	1.2
211.13284	13.5
227.12595	1.2
228.89839	0.8
233.15363	1.1
249.14882	1.5
255.13765	1.9
267.15891	100.0
268.16339	3.4
273.14819	4.8
280.98041	0.9
285.16989	14.8
325.17572	0.9
341.21024	2.1
349.21579	2.3
367.22577	8.3
368.22897	0.9
385.23642	10.1
403.24661	1.6
405.24500	0.9
433.25833	14.4
434.26184	1.7
441.26437	6.7
442.26144	0.9
459.27390	70.8
460.27786	5.6
477.28442	46.8
477.33685	0.7
478.28815	2.9
519.28876	1.8
585.30524	1.1
603.30792	1.0
629.50275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56173	2.7
53.03949	3.7
54.44873	3.1
55.05527	10.7
57.03436	4.2
61.02946	4.4
63.55599	3.0
67.05508	59.1
68.46455	2.9
69.07076	6.3
69.32935	13.1
71.04996	48.8
79.05497	19.8
81.07059	100.0
83.04998	6.7
83.08624	8.5
83.70087	3.1
85.06538	8.0
91.05483	35.1
93.07059	22.2
95.08636	9.2
96.97985	2.7
97.06538	5.8
98.22750	4.0
104.07468	2.6
105.07047	13.0
107.08593	17.5
109.10175	11.6
111.08096	3.6
116.57041	2.8
117.07005	6.4
119.08592	2.6
121.10203	6.5
123.11694	23.0
131.08577	6.7
133.10118	29.0
149.13266	7.1
151.11188	18.6
159.11729	8.8
172.86154	2.7
177.12723	4.7
183.13834	9.5
187.13374	4.3
223.13007	3.3
226.48792	3.0
252.10098	3.3
257.17496	4.1
269.17581	5.2
280.52698	3.2
281.66275	3.2
301.20184	18.5
437.29172	4.9
451.30527	12.0
463.30618	8.9
469.31638	70.1
483.33151	8.2
495.33176	54.2
517.76123	3.6
527.35864	61.5
639.36847	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	724.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01867	1.5
55.05510	9.9
57.03434	4.8
57.07071	1.6
59.04996	2.1
61.02922	3.0
65.03950	1.7
65.66391	0.6
67.05505	61.3
68.05843	0.8
69.03435	2.5
69.07066	7.6
69.48473	1.4
69.48859	1.6
71.04991	49.6
73.02908	1.1
73.06545	1.0
79.05494	18.0
81.03413	2.3
81.07056	100.0
83.04981	5.7
83.08627	8.7
85.02900	3.7
85.06538	10.0
87.04477	1.3
91.03976	1.4
91.05481	33.9
92.05841	0.8
93.07047	19.8
95.04964	2.4
95.08609	11.3
97.02876	2.0
97.06530	6.9
97.10162	2.0
98.22733	0.7
99.08076	2.2
105.07031	16.2
107.08590	18.1
109.06560	3.3
109.10152	8.9
111.08092	3.0
117.07009	4.2
119.08593	2.1
121.10136	6.4
123.11707	22.0
124.12043	0.8
125.09644	1.3
131.08577	5.9
133.10127	29.7
134.10471	1.1
135.08076	0.7
135.11710	4.9
149.09552	1.0
149.13249	8.7
151.11174	15.2
158.05783	0.7
159.11703	7.4
169.12260	1.5
177.12726	4.4
183.13803	10.1
187.13284	5.1
195.12288	0.6
195.13768	3.7
201.14838	1.0
213.14854	1.1
225.14828	2.2
227.16306	0.9
229.14490	0.8
246.46861	0.7
257.17569	3.6
269.17508	4.6
271.15387	1.3
283.18982	1.3
285.16968	1.4
301.16595	1.1
301.20071	23.7
393.26242	0.7
397.26025	0.8
419.27643	0.9
425.29065	5.8
437.28979	4.9
439.30280	1.0
445.29605	0.8
451.30618	8.7
463.30496	7.2
469.31616	72.9
470.32022	3.7
477.32248	1.2
483.33301	8.1
495.33188	55.9
496.33643	2.3
527.35797	66.9
528.36169	3.4
613.35724	1.2
639.37323	2.5
724.39771	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	724.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.05509	24.1
57.03446	23.7
61.02931	6.2
67.05501	61.8
69.07066	15.0
69.45961	10.9
69.46358	5.3
71.98218	3.4
73.02933	5.6
79.05496	41.4
81.03416	100.0
81.07052	55.7
83.05010	3.6
83.08634	18.1
85.02878	5.3
91.05471	33.5
93.07043	41.0
95.04964	34.0
95.08604	33.0
97.02905	7.2
97.06548	4.9
97.10161	5.0
105.07030	32.8
105.51908	3.4
106.58701	3.2
107.04984	6.3
107.08611	23.3
109.06537	6.1
109.10156	21.9
111.04514	3.1
111.08060	6.7
117.07032	7.0
119.08562	19.9
121.10136	19.1
123.11720	8.7
123.22272	3.4
125.09628	4.1
129.07019	8.9
131.08562	17.2
133.10139	15.7
135.11703	6.9
145.10114	8.9
147.08028	5.6
147.11707	10.9
149.09702	5.1
149.13315	8.3
157.10107	8.2
159.11711	3.4
172.95668	3.7
175.11220	8.5
176.20419	3.9
193.12273	14.7
227.12833	5.1
261.22070	13.2
267.15918	85.9
268.16266	4.8
301.25137	7.0
335.25812	77.4
370.44388	4.0
453.33780	4.6
527.37262	42.7
545.37982	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22237	0.9
55.05506	1.5
57.03433	1.8
67.05507	6.7
69.07066	1.1
70.50124	1.6
71.04982	2.9
73.02897	1.2
79.05511	2.2
81.03410	1.8
81.07055	6.9
82.07381	1.1
83.08634	1.2
85.02924	0.9
89.50947	0.9
91.05480	2.8
93.07043	2.4
93.50429	0.7
95.04126	1.0
95.08630	1.8
96.32040	0.9
105.07020	1.7
107.08571	1.6
108.03836	0.8
109.10179	2.3
121.10114	1.1
123.11747	1.7
133.10159	1.9
135.11734	1.2
151.11137	1.3
151.71843	0.8
167.27899	0.9
215.11403	1.6
243.08575	0.9
253.12730	1.8
267.14224	0.8
269.17456	1.2
271.13913	2.6
295.13974	1.2
414.18655	1.1
453.20535	1.1
495.33221	1.4
496.33289	2.2
527.36261	1.5
528.36255	1.5
665.34454	3.7
724.38977	1.3
725.34869	100.0
726.35632	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	725.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01875	1.2
55.05506	2.6
57.03429	2.8
59.05001	2.2
61.02928	4.3
65.03949	0.4
67.05499	9.4
68.05833	0.9
69.03429	2.0
69.07072	1.7
71.04983	3.0
72.05338	0.4
73.02911	2.2
79.05489	6.9
80.05803	0.4
81.03418	4.6
81.07047	9.3
82.07386	1.2
83.04980	1.9
83.08620	1.8
85.02893	3.5
85.06555	0.7
87.04471	2.3
91.03949	2.0
91.05476	5.6
93.07034	6.7
94.07410	0.6
95.04963	2.0
95.08607	2.6
96.08923	0.4
97.02884	2.7
97.06552	1.7
97.10199	0.9
98.22698	0.7
99.04469	1.5
99.08125	0.6
101.02398	1.1
103.03974	0.8
105.07026	3.4
106.07425	0.5
107.04959	1.1
107.08585	3.7
109.06521	0.5
109.10138	3.6
110.10496	0.5
111.08083	0.7
117.07004	0.9
119.08605	2.1
121.06557	0.5
121.10145	1.8
123.08126	0.6
123.11764	0.8
125.09655	0.9
127.03929	1.2
129.07045	1.2
131.08575	1.8
133.10109	1.8
135.11716	0.9
138.03815	0.4
145.10164	0.8
147.11670	2.3
149.09648	1.4
149.13300	1.3
150.13560	0.4
157.10066	0.6
159.11722	1.0
163.11217	0.6
171.11723	1.0
173.11763	0.8
174.12073	0.4
175.11217	1.0
177.12776	0.5
193.12318	1.2
195.13818	0.7
200.64388	0.4
200.96843	0.4
207.13914	0.7
225.14798	0.6
228.13144	0.5
229.14316	2.9
230.14807	1.1
243.08357	2.1
247.13168	1.0
267.16058	1.2
269.17432	3.0
270.17877	2.0
283.15140	3.1
284.15891	0.5
339.17767	0.9
412.27802	0.6
423.27310	2.9
424.27676	4.8
465.20969	8.6
466.21207	0.5
470.32071	0.6
501.23007	9.4
563.32043	0.4
725.37097	100.0
726.37506	6.7
731.02783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
57.03426	2.6
57.07066	2.5
61.02926	4.4
62.36532	0.7
67.05502	2.8
69.03422	2.8
69.07070	1.1
70.84089	0.8
70.84413	0.8
71.08633	2.2
73.02924	3.2
79.05470	0.8
81.03427	4.0
81.07045	2.6
83.08611	1.9
85.02902	4.9
85.10191	1.3
87.47649	0.7
91.03960	3.0
91.05491	1.3
95.08620	2.3
97.02895	4.6
97.06584	0.8
99.04462	0.7
100.29947	0.6
101.02373	1.8
105.07033	0.9
108.17477	0.6
109.10132	0.7
111.08066	0.7
111.81160	0.7
127.03934	1.5
131.08627	0.8
147.11720	1.5
157.10245	1.1
161.11488	0.9
175.11177	0.8
193.12311	2.3
211.13339	2.0
243.08493	2.2
251.12442	3.4
277.70078	0.7
285.17172	0.8
307.15228	0.9
313.27652	0.8
387.11826	0.8
469.20404	8.1
497.30713	4.7
725.44366	100.0
726.44879	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	726.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01867	0.9
55.05515	0.4
57.03441	1.4
57.07072	22.2
58.07408	0.2
61.02922	2.8
61.03209	0.3
65.00302	0.1
69.03428	5.3
71.04980	0.7
71.08645	0.2
71.18894	0.2
73.02894	0.9
79.05503	0.4
79.22041	0.1
80.24313	0.2
81.03410	2.1
83.01349	0.3
85.02900	28.7
86.03216	0.2
87.04479	0.5
91.03935	1.2
97.02888	8.3
99.04464	1.1
103.03931	0.6
107.04960	0.7
109.02865	2.6
109.99963	0.2
115.03925	0.4
121.06541	0.3
123.04443	0.7
125.05984	18.3
126.06313	0.5
127.03908	7.2
137.06012	0.2
139.03883	0.3
145.04947	12.7
149.05945	0.4
151.07559	0.3
163.06024	5.7
163.07433	0.4
175.07591	0.2
179.07068	0.2
191.07050	0.3
193.05017	0.2
219.53984	0.2
223.16911	100.0
224.17229	3.5
247.16867	2.9
247.19258	0.2
249.15036	0.4
259.16934	0.7
261.18436	0.2
263.16306	0.2
265.17960	1.8
281.17212	0.3
289.09366	0.3
289.17993	2.6
305.05865	0.2
305.17468	0.3
325.11301	1.2
331.19046	0.5
347.18677	0.2
349.20084	3.6
350.20438	0.2
367.21078	0.6
385.22073	1.5
564.77045	0.2
639.52533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89105	0.5
52.72471	0.5
53.03907	0.6
55.01834	1.1
55.05511	9.3
57.03438	8.7
57.07045	1.7
59.04973	0.5
61.02893	2.2
65.03923	1.2
67.05506	38.7
69.03402	0.8
69.07073	12.2
70.71449	0.6
71.05005	2.4
71.08590	1.0
73.02911	0.9
77.03898	0.8
79.05495	25.2
81.03386	0.6
81.07058	49.1
83.05000	3.4
83.08622	8.2
85.02920	2.5
85.06507	2.3
87.04409	0.5
91.03930	0.8
91.04957	0.8
91.05477	13.4
93.07046	37.1
94.07380	0.6
95.04974	3.9
95.08606	21.3
97.02849	0.8
97.06530	4.7
97.10142	1.3
99.08052	1.6
105.04520	1.1
105.07034	6.8
107.08592	21.6
109.06498	1.4
109.09559	0.7
109.10161	8.3
111.08098	3.6
111.11700	0.8
113.09645	0.8
117.07010	4.5
119.08591	5.4
121.06508	0.7
121.10140	15.7
123.11724	3.0
125.09620	0.7
131.08575	6.1
133.10123	5.3
135.08006	0.7
135.11697	8.6
137.13245	0.9
139.11153	0.8
145.10136	2.3
147.11691	2.8
149.13258	22.0
150.13533	0.6
151.11203	0.8
156.41206	0.6
159.11684	8.5
161.13214	1.5
161.93617	0.5
163.14790	1.6
165.12735	0.9
173.13210	1.5
177.12782	3.9
187.14880	0.5
189.54117	0.5
195.13815	8.6
213.14664	0.6
224.51227	0.5
225.83257	0.5
236.39632	0.5
243.21095	2.7
261.22134	8.9
267.15933	2.4
269.17471	100.0
270.17899	3.8
288.67505	0.5
299.23721	0.7
317.24750	2.0
333.23932	0.6
335.25803	57.4
336.26312	3.0
344.93231	0.5
437.34305	2.0
455.35159	0.9
511.37918	1.2
529.38898	95.8
530.39233	8.1
547.39972	2.0
664.67462	0.6
726.44702	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	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
54.84288	1.1
55.01860	2.2
55.05259	1.4
55.05511	20.5
57.03181	1.4
57.03440	16.1
57.07073	4.3
61.02925	7.0
65.03941	3.0
67.05505	84.6
69.03437	2.4
69.06716	1.4
69.07070	23.2
69.33910	4.6
71.04996	6.3
71.08614	1.7
73.02902	1.1
77.03912	2.3
79.05494	50.4
79.08350	1.3
81.03423	3.8
81.07057	100.0
83.04980	5.8
83.08620	18.1
85.02905	6.0
85.06544	4.0
91.03960	2.1
91.05476	32.7
93.07046	67.5
93.82331	1.1
95.04939	5.7
95.08607	49.8
95.09214	2.6
95.14255	1.0
96.08918	1.3
97.02879	2.7
97.06537	10.5
97.10201	2.3
99.08074	1.8
99.47025	1.4
105.04501	2.5
105.07026	18.2
107.08591	39.5
109.06544	2.0
109.10157	14.5
111.08105	5.9
117.07029	9.8
119.08595	9.3
121.06432	1.6
121.10144	23.9
123.11693	7.9
125.09734	1.1
131.08572	12.9
133.10120	19.9
135.08049	1.5
135.11688	17.0
137.13257	1.3
145.10123	4.9
147.11688	5.0
149.13257	18.4
151.11182	2.0
157.10146	1.1
159.11696	10.2
161.13222	3.2
163.14873	2.4
171.11629	1.3
173.13329	2.8
175.14922	1.1
177.12799	3.9
195.13795	10.8
213.14813	2.6
220.37300	1.1
243.21025	2.1
261.22134	8.8
267.15936	1.3
269.17471	70.2
270.17902	2.8
335.25797	68.5
336.26053	2.2
455.35120	1.5
511.37915	1.5
529.38885	81.6
530.39374	5.6
547.39868	1.7
726.43829	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	727.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01880	0.4
55.05515	1.8
56.29799	0.3
57.03434	2.1
59.05006	0.6
61.02932	3.3
63.17074	0.3
67.05501	7.2
67.70644	0.4
68.05841	0.9
69.03424	2.4
69.07074	1.7
71.05000	3.0
73.02910	1.9
77.03923	0.4
79.05494	5.4
80.05862	0.4
81.03419	7.1
81.07056	7.9
82.03766	0.5
82.07390	1.0
83.05000	1.4
83.08627	2.5
84.08980	0.4
85.02899	2.8
85.06557	1.1
86.09713	0.3
91.03951	1.5
91.05480	5.7
91.05994	0.5
92.05820	0.9
93.07047	4.8
93.07605	0.4
94.07388	0.4
95.04967	3.9
95.08614	3.0
97.02893	2.8
97.06545	1.2
97.10172	0.4
99.04449	0.6
101.02387	1.2
103.03973	0.7
105.07037	2.8
106.07376	0.5
107.04941	1.9
107.08592	3.4
109.06521	1.7
109.10150	1.6
111.08107	1.2
117.07001	1.6
119.08588	2.5
120.08926	0.5
121.06528	1.1
121.10162	2.5
123.08110	0.5
123.11710	0.7
125.09685	0.5
127.03935	0.6
129.05479	0.5
129.07060	1.0
131.08588	2.2
132.08884	0.5
133.06560	0.7
133.10161	1.7
134.10451	0.4
135.08038	0.7
135.11690	2.6
137.09615	0.5
143.08603	0.4
145.10144	1.4
147.08102	0.9
147.11714	1.8
149.08618	0.4
149.09610	1.8
149.13345	0.5
151.11179	0.4
157.10172	1.5
158.10643	0.4
159.11720	0.8
160.12238	0.4
163.11168	3.3
165.12727	0.4
175.11230	1.3
176.11496	0.3
177.12706	0.4
181.12334	1.0
184.07413	1.1
193.12195	2.1
194.12704	0.5
203.05286	0.3
211.10872	0.3
219.10059	0.7
219.13977	0.4
225.14819	0.6
227.12772	2.7
243.08415	2.6
249.10997	6.4
267.16043	2.2
268.16367	0.9
269.17596	1.0
283.15228	2.4
295.15839	0.3
305.13519	2.3
339.17874	1.1
340.78528	0.4
343.22577	0.5
369.24063	0.3
418.26624	0.6
422.26196	0.5
435.27634	1.2
436.27927	1.5
440.63614	0.4
441.20746	0.4
443.28046	0.4
444.28302	1.0
447.27698	1.6
448.27686	2.3
461.28912	6.7
462.29315	13.8
467.18878	13.0
468.19235	0.6
469.20798	0.5
480.29855	0.7
493.31552	0.4
494.31952	0.5
501.23068	16.2
502.23279	0.6
546.54102	0.3
555.54077	0.3
565.30212	0.8
727.35083	100.0
728.35382	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	728.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05510	11.1
57.03431	11.6
65.03944	0.8
67.05503	16.0
69.03422	2.7
69.07075	7.4
71.01331	0.9
71.04996	7.1
79.05047	1.3
79.05494	21.9
81.03416	40.7
81.07056	17.3
83.04980	6.1
83.08617	11.3
85.02885	2.7
91.05482	15.3
93.07041	19.7
94.07367	0.9
95.04965	17.7
95.08607	10.0
97.02891	2.6
97.06528	4.1
97.10160	10.0
98.22721	2.5
99.08112	1.3
103.05423	0.9
103.90771	0.8
105.04533	1.1
105.07030	10.5
107.04956	23.1
107.08599	15.2
109.06518	28.5
109.10148	3.8
111.04449	1.3
111.08075	4.1
115.05444	1.8
117.07043	4.1
119.08578	10.7
121.06502	16.3
121.10134	14.7
123.04438	1.1
123.08055	6.0
123.11666	1.0
125.06001	1.1
125.09632	10.6
127.03935	0.9
129.06990	5.9
131.04927	2.8
131.08571	13.0
133.06470	3.1
133.10147	4.8
135.04428	2.3
135.08046	11.9
135.11670	1.6
137.05962	2.3
137.09602	1.2
139.03882	1.2
139.11176	6.2
141.06931	1.2
143.08554	2.2
145.06483	4.6
145.10129	6.2
147.04427	1.6
147.08081	4.9
147.11687	5.0
149.09637	6.7
153.09100	2.5
155.08559	1.7
157.06470	1.2
157.10127	6.4
159.08031	1.5
159.11650	1.2
161.05962	1.8
161.09624	1.3
163.07484	1.1
163.11148	4.3
165.12805	1.5
167.10660	1.6
169.10167	1.2
171.11638	2.1
173.13235	4.3
175.09892	1.0
175.11165	5.2
177.12752	2.0
184.79266	0.8
185.11658	1.7
187.11189	1.0
189.09480	0.7
189.11200	5.3
191.14293	9.4
193.12221	12.7
195.11729	1.3
199.11220	1.1
201.12723	1.3
205.12210	1.5
211.13234	1.3
213.12695	1.6
215.14296	2.1
215.20085	1.0
217.12213	1.2
219.13812	23.8
220.14183	1.3
223.13127	1.2
227.12694	1.9
229.14249	1.2
231.13895	1.0
233.15327	3.6
235.13281	1.4
237.14874	1.3
241.14334	1.8
249.14890	2.1
255.13695	1.2
259.15442	21.2
260.15491	1.1
267.15921	33.5
273.14890	3.4
275.16458	1.0
282.70560	0.8
293.17490	13.5
295.18997	1.0
339.23062	1.8
349.21704	2.9
357.24216	1.6
367.22586	8.5
385.23779	15.4
403.24908	7.4
423.25049	1.5
433.25888	4.1
441.26529	5.1
451.26950	13.1
459.27408	77.5
460.27832	4.8
461.28928	1.2
477.28476	100.0
478.28619	5.2
495.29514	22.6
496.29663	1.2
501.28143	2.7
567.29694	2.1
728.35522	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01873	3.0
55.05511	9.2
57.03432	5.8
57.07067	2.9
59.12238	0.9
61.02901	1.4
64.99745	4.3
65.03938	1.8
67.05504	34.9
69.03433	1.8
69.07068	10.1
70.67271	1.4
71.05011	1.9
79.05490	17.3
81.03415	2.4
81.07056	33.3
83.04976	4.3
83.08606	4.5
85.02905	1.5
85.06537	4.1
86.09672	1.0
87.04468	1.0
91.03938	1.0
91.05475	25.5
93.07047	21.8
95.04972	4.1
95.08602	16.4
97.02899	1.5
97.06528	2.0
97.10181	1.8
99.04469	1.5
99.08067	1.2
105.06355	1.3
105.07031	19.6
107.04976	1.3
107.08593	22.4
109.02296	1.6
109.06532	3.3
109.10156	36.3
111.08103	1.3
113.05951	1.2
115.07620	0.9
117.07016	2.2
119.08553	5.7
121.06477	1.3
121.10139	6.4
123.08055	1.4
123.11700	7.5
127.07529	1.3
131.08548	4.7
133.10126	40.6
135.11678	5.2
145.10158	3.2
145.74443	0.8
147.11681	2.1
149.13315	2.7
151.11176	21.1
153.04938	1.4
159.11688	1.8
161.09645	1.3
161.13268	1.3
163.14812	1.1
169.12198	4.0
173.13200	2.0
178.25165	0.9
179.10722	1.1
184.07285	1.5
215.12781	2.6
227.12491	0.8
233.19165	1.2
243.21088	3.2
249.14453	0.9
253.14342	100.0
254.14755	4.1
261.22098	10.9
271.12482	1.7
271.15396	26.4
271.18277	1.8
277.21515	1.2
284.35867	1.0
317.24765	2.6
335.25778	40.0
336.26208	1.3
439.31799	1.1
446.52087	0.9
457.33084	2.0
513.35632	5.9
514.60846	1.0
531.36823	47.1
532.36914	3.3
549.37744	1.2
560.15387	0.9
717.98615	1.0
728.45337	4.0
729.43109	1.4
754.60803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01881	3.5
55.05287	0.8
55.05513	7.6
57.03436	5.3
57.07057	1.7
60.05639	1.0
61.02926	1.9
62.78206	0.6
65.03926	1.3
67.05503	37.5
69.03421	2.0
69.07070	9.5
69.48686	2.9
71.04984	4.0
71.08660	0.6
71.65504	0.7
71.67050	0.6
73.02897	0.8
79.05049	0.9
79.05490	15.4
81.03413	2.4
81.07056	36.8
83.04982	4.7
83.08624	3.5
85.02895	1.7
85.06533	3.0
91.05476	24.6
93.07047	19.1
95.04962	5.2
95.08032	1.1
95.08607	16.6
97.02885	1.1
97.06512	2.4
97.09296	0.6
97.10149	2.0
99.04470	1.9
99.08070	1.4
105.04483	1.3
105.06353	1.2
105.07030	21.3
107.04928	1.0
107.08595	25.1
108.08889	1.1
109.06536	3.7
109.10156	37.4
111.08079	1.1
113.06007	1.6
117.07057	3.4
117.36359	0.7
119.08584	4.9
121.10163	5.8
123.08063	1.2
123.11710	7.4
127.07545	2.2
128.06238	0.7
131.08553	4.6
133.10132	45.2
134.10471	1.0
135.08122	0.8
135.11699	4.3
143.08525	1.0
145.10109	3.0
147.11693	2.0
149.13251	2.3
151.11174	21.6
159.11681	2.8
161.09581	1.4
161.13266	2.0
163.11214	1.5
169.12230	3.9
173.13280	2.6
175.14786	1.2
184.07332	0.8
197.11685	1.0
215.12755	2.8
227.12730	1.1
243.21069	2.8
244.78215	0.7
253.14343	100.0
254.14798	3.4
261.22134	10.2
271.15408	33.3
272.15744	1.0
279.23242	1.4
283.15311	1.7
317.24802	0.8
323.25793	1.6
335.25797	29.7
336.26093	1.3
396.57153	0.8
421.30658	0.9
439.32205	0.9
446.56433	0.7
457.32901	2.3
513.35693	8.3
531.36816	38.1
532.36932	2.4
541.10260	0.7
545.38165	0.9
549.37787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
55.05518	10.7
57.03438	6.4
57.07072	3.7
59.94357	1.3
61.02913	1.7
62.01001	1.3
67.05158	2.3
67.05505	37.5
69.07069	13.9
69.19693	8.7
71.04984	3.1
71.08625	1.5
78.20036	1.4
79.00820	1.3
79.05502	12.6
81.03457	1.3
81.07058	39.1
83.08615	8.6
85.06559	2.2
91.05488	7.2
93.07047	20.9
95.04976	2.4
95.08606	21.5
96.76368	1.1
97.06509	4.6
97.10161	3.7
99.08090	1.8
105.07030	4.1
107.08598	14.1
109.10159	5.1
109.16985	1.4
111.08082	3.3
117.07017	1.9
119.08588	3.4
121.10165	9.0
123.11681	3.7
131.08563	2.5
133.10120	5.1
135.11681	3.8
147.11682	2.3
149.13264	12.4
159.11722	6.1
161.13289	1.8
172.98488	1.4
177.12762	2.2
184.07361	2.8
189.16606	1.3
195.13780	4.2
209.59430	1.4
263.23502	1.9
269.17477	43.6
337.27353	43.2
338.27618	2.1
351.46127	1.4
531.40442	100.0
532.40753	6.5
619.68402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45030	1.8
61.02928	3.8
67.05524	2.4
69.03445	1.8
70.93307	2.6
73.02915	2.9
77.76246	1.7
79.05494	1.6
81.07077	2.7
85.02916	5.5
87.81719	1.5
89.51979	1.9
91.03994	2.1
91.05479	3.8
93.07052	2.3
95.08627	1.8
97.02916	3.4
102.31819	1.7
102.77512	1.6
119.08615	2.0
124.78936	1.6
127.03917	2.7
155.08607	3.1
157.10178	7.6
159.19571	2.0
193.12343	3.4
197.13223	2.9
198.41728	2.0
199.14822	2.9
224.13107	2.2
234.75626	2.3
242.55675	1.6
243.08383	2.2
283.15378	3.3
469.20535	13.1
501.23016	10.5
729.36682	100.0
730.36743	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	729.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.05508	0.6
57.03437	1.3
59.05017	0.7
61.02929	3.7
67.05503	2.2
69.03426	2.2
69.07079	0.7
70.35064	0.3
70.70551	0.5
71.01346	0.4
71.04994	1.0
73.02917	3.2
76.06448	0.3
79.05507	2.0
83.04984	0.6
83.08634	1.5
85.02907	4.4
87.04477	0.4
89.39735	0.3
91.03958	1.8
91.05482	2.9
93.07035	1.8
95.04969	2.2
95.08607	1.7
97.02895	3.4
97.06544	0.6
99.04460	0.4
99.64736	0.3
101.02375	1.8
103.03972	0.4
105.07030	2.2
107.08617	1.4
109.02911	0.6
109.06527	0.5
109.10187	0.7
111.08102	0.8
119.08588	1.0
121.10181	1.5
127.03941	1.2
129.07001	0.8
131.08595	1.7
133.10060	0.7
147.11745	1.5
149.09666	1.1
151.11221	0.4
157.10168	1.3
165.12843	0.5
174.97981	0.4
175.11198	2.0
185.04199	0.5
193.12277	3.1
211.13248	1.7
225.14923	0.6
243.08452	2.5
251.12589	2.6
267.16046	1.1
277.60022	0.3
283.15097	2.5
285.17056	0.4
307.15201	0.8
339.17712	0.7
459.36621	0.4
460.89560	0.4
469.20477	11.9
470.20828	0.6
501.23074	11.0
502.23596	0.6
543.41626	0.4
560.77161	0.4
567.31592	0.5
624.60681	0.4
657.30798	0.4
697.34387	0.6
729.36652	100.0
730.37030	11.0
740.50568	0.3
757.46375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01871	0.3
55.05515	0.8
57.03447	2.0
61.02926	4.5
67.05504	4.5
69.03432	3.0
69.07082	1.0
70.70617	0.3
71.01375	0.3
71.04993	6.5
73.02920	4.0
73.80907	0.2
79.05497	1.9
81.07495	0.5
83.08631	1.0
85.02908	4.6
85.06564	0.7
87.04459	0.4
91.03965	2.7
91.05483	3.8
93.07042	2.5
95.05035	0.4
95.08624	1.1
97.02888	4.0
97.06564	0.8
99.04497	0.6
101.02361	1.7
103.03967	0.4
105.07043	1.7
107.08600	1.8
109.02911	0.9
109.10167	0.7
115.03969	0.4
117.05449	0.3
117.07058	0.6
121.10184	0.6
123.11662	1.4
127.03929	1.6
131.08607	0.8
133.10136	3.0
135.11742	0.6
149.13293	0.9
151.11168	2.1
159.11736	1.0
183.06598	0.3
183.13866	1.1
185.04224	0.3
187.13408	1.2
195.13776	0.3
200.87041	0.4
203.05310	0.4
243.08430	3.2
243.16010	0.7
256.17218	0.3
257.17371	1.5
267.15759	2.9
269.17554	0.7
277.93799	0.3
301.20316	0.3
323.18396	0.8
393.86130	0.4
441.21033	0.6
442.22049	0.3
453.21039	1.1
485.23578	17.3
486.24118	0.8
567.34912	0.6
625.31976	0.4
657.34674	0.9
729.40295	100.0
730.40723	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	729.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01851	0.4
55.05511	0.7
57.03435	1.7
57.44879	0.4
59.04982	0.4
61.02926	5.3
61.03215	0.6
66.34025	0.3
67.05499	4.4
69.03434	3.0
69.07061	0.6
71.04988	5.8
71.05355	0.5
73.02914	3.1
78.76106	0.3
79.05493	1.9
83.04973	0.3
83.08624	0.9
85.02894	5.0
85.06570	0.8
87.04459	0.6
91.03954	3.0
91.05484	3.9
93.07034	2.6
95.04949	0.4
95.08624	1.1
97.02881	3.8
97.06541	1.1
99.04440	0.9
99.08123	0.3
101.02388	1.5
103.03966	0.5
105.07034	1.5
107.08606	1.8
109.02901	0.9
109.06515	0.5
109.10192	0.7
111.08047	0.5
115.03959	0.4
117.07057	0.5
121.10166	0.7
123.11726	1.6
127.03080	0.4
127.03883	1.7
129.05478	0.3
131.08603	0.9
133.10120	3.2
135.11703	1.0
145.04987	0.3
149.13260	1.2
151.11163	1.9
159.11707	1.1
161.69717	0.3
177.12752	0.7
183.13855	1.3
185.04221	0.4
187.13364	0.8
187.36803	0.3
195.13882	0.5
203.05307	0.4
243.08406	2.4
243.15906	0.6
257.17627	1.4
267.15659	3.4
269.17441	0.5
272.27515	0.3
301.20236	0.5
323.18338	0.9
389.86032	0.3
441.21106	0.6
453.21033	1.3
485.23572	16.7
486.23807	1.0
567.34503	0.4
658.38788	0.3
729.40259	100.0
730.27667	0.5
730.40631	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	729.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39771	0.1
69.36874	0.5
91.46717	0.1
100.42615	0.1
131.91229	0.1
152.73402	0.1
163.34561	0.1
203.60312	0.1
311.84399	0.1
314.69754	0.1
393.64047	0.1
617.10413	0.2
729.41815	100.0
730.42188	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	729.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34922	0.4
143.71605	0.4
159.60176	0.4
190.44444	0.5
232.39276	0.4
245.49568	0.4
271.29733	0.4
340.51233	0.5
622.40973	0.5
669.41925	1.5
671.42456	0.5
717.13300	0.4
729.41809	100.0
730.42059	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	731.1609
Annotation	CHEBI:75662
Peak:m/z	Relative Intensity
53.32262	0.5
55.01874	1.1
62.67738	0.6
65.03943	1.5
67.05501	1.1
68.99780	8.0
69.18688	2.6
69.19103	1.1
77.67207	0.6
81.03415	3.5
82.51518	0.5
86.26778	0.5
89.03936	0.6
91.05446	0.7
93.03372	0.6
94.63163	0.5
95.04964	2.2
98.23460	1.0
99.04415	0.8
105.03349	0.6
107.04964	1.9
109.02876	5.3
109.57780	0.6
111.00803	7.3
111.04446	2.4
113.84678	0.6
115.05460	0.9
116.72606	0.5
119.04957	0.9
121.01976	0.8
121.02862	16.2
121.03825	0.9
123.04427	45.3
124.04782	1.0
125.02292	0.6
127.03908	100.0
128.04285	1.2
131.04936	2.0
133.02846	2.5
135.04408	13.8
137.02322	2.3
137.06061	0.6
139.03893	92.7
140.04210	1.1
141.06970	0.8
147.04404	6.4
149.02353	3.9
149.05994	1.6
150.03117	0.6
151.03896	33.6
152.04309	1.0
153.01804	5.8
153.05457	0.9
155.03404	5.2
157.06447	0.6
159.04399	1.8
161.05943	2.2
163.03894	20.8
163.07552	0.6
165.05463	3.5
167.03406	4.9
169.06439	0.8
171.04413	1.6
173.05963	1.5
175.03893	10.4
177.05473	4.8
179.03377	25.7
181.05037	0.7
183.04433	1.3
185.05928	2.0
187.03867	2.8
189.05453	3.5
191.03389	8.9
193.05011	4.1
197.05936	2.3
199.03891	2.2
200.04524	0.8
201.05429	6.7
203.03372	16.1
203.06900	1.3
205.04936	3.7
211.03870	0.7
213.05376	3.2
215.03297	1.5
215.07004	0.8
216.71211	0.6
217.04930	4.0
219.06525	0.9
223.02356	1.3
225.05356	1.0
227.03340	1.3
229.04977	5.1
231.06543	3.2
233.04518	4.9
241.04973	3.3
243.02251	0.6
243.06445	2.3
245.04448	10.9
247.02312	0.7
247.06000	9.7
253.04970	1.6
255.06349	1.3
257.04404	9.4
259.05981	5.6
263.05490	14.8
269.04337	6.0
270.05063	0.8
271.06018	11.0
273.07489	3.1
275.05487	14.3
276.05710	1.1
277.07065	2.9
283.05948	3.6
287.05490	44.1
288.05713	1.5
289.07043	12.4
291.08664	0.9
295.05838	0.6
299.05466	16.0
301.07022	7.5
305.03317	0.8
305.06525	10.6
317.06546	13.5
321.07718	0.7
323.05573	1.0
389.06360	0.7
389.92932	0.6
391.07651	1.3
393.09494	1.3
407.07593	5.5
409.03836	1.1
409.09100	13.2
410.09183	0.9
421.09024	1.6
425.08664	19.2
427.10025	2.3
437.08319	0.8
443.09848	4.4
467.09122	0.9
543.12433	0.8
563.11554	1.8
579.11493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.8
53.03972	0.6
55.01880	1.5
62.01712	0.5
65.03959	1.3
67.01871	0.9
67.05503	0.8
68.99427	0.8
68.99789	8.0
69.00156	0.6
77.03941	1.0
79.05442	0.4
81.03428	4.7
81.16540	0.4
81.50755	0.4
85.02888	0.7
91.05470	0.8
92.29190	0.4
95.04974	2.5
99.04475	1.6
105.03390	1.9
105.04597	0.4
107.04985	0.9
109.02876	5.6
111.00800	7.1
111.04439	2.6
115.05447	0.8
119.04943	1.5
121.02896	3.6
123.04430	67.7
124.04768	1.1
127.03915	100.0
128.04263	1.0
131.04907	1.1
131.84782	0.5
133.02838	2.9
135.04437	4.3
137.02348	15.9
137.03360	1.0
137.05956	0.6
139.03900	66.4
140.04234	1.1
143.04871	0.6
145.06459	0.6
147.04411	11.8
149.02319	3.3
149.03389	0.5
149.05972	0.8
151.03905	36.0
152.04230	0.8
153.01820	1.8
153.05499	1.2
155.03358	2.8
155.04617	0.5
157.06483	1.1
159.04434	1.9
161.05946	2.1
163.03911	8.3
165.05489	3.9
167.03423	6.2
169.06523	0.8
171.04384	2.0
173.05943	1.2
175.03908	16.0
175.05400	1.0
176.04388	0.6
177.05484	6.1
179.03394	33.7
181.04994	0.9
181.06473	0.5
183.04391	1.0
185.05948	2.6
187.03894	1.4
189.05452	5.1
191.03389	12.5
193.04956	5.0
197.06047	1.2
199.03883	2.5
201.05463	5.7
203.03389	23.5
203.07039	0.8
204.03712	0.8
205.04936	2.1
209.36682	0.6
211.04050	0.6
213.05453	5.6
215.03381	1.2
217.04987	5.3
219.06485	1.1
225.05431	0.8
227.03358	1.0
229.04956	5.4
231.06506	3.4
233.04439	6.9
241.04977	3.3
243.06618	0.5
245.04465	10.4
247.06030	2.8
251.05399	1.0
253.05055	0.6
255.06464	0.9
257.04446	13.0
258.05148	0.7
259.05963	4.9
263.05496	12.2
265.04861	0.7
269.04376	6.9
271.05997	4.1
273.04761	0.6
273.07593	6.1
275.05502	17.2
277.07092	1.6
283.06012	0.6
285.07690	0.8
287.05499	51.2
288.05832	1.5
289.07199	2.4
291.08630	1.4
299.05496	15.8
300.05746	0.8
301.06949	1.3
305.03296	0.8
305.06561	11.8
307.06155	0.5
311.05518	1.5
313.06952	0.6
315.08508	0.7
317.03058	0.8
317.06543	12.2
325.06860	0.5
329.06699	0.7
391.08124	2.9
407.07541	1.2
409.09204	8.3
415.34116	0.5
421.09171	1.0
425.08667	17.6
427.10461	2.6
433.08923	0.7
437.08624	0.6
443.09659	4.8
451.10095	1.3
455.09451	0.7
470.83133	0.5
545.10114	0.7
559.11932	0.7
563.11292	1.6
577.13080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03959	0.7
53.60965	0.4
55.01888	1.7
55.75517	0.4
62.45729	0.4
65.03963	1.2
67.01897	0.6
67.05510	1.0
68.99792	7.8
69.59126	1.6
77.03923	0.7
79.05480	0.7
81.03424	3.5
85.02888	0.5
95.04983	2.2
96.22876	0.4
99.04456	1.2
105.03408	1.4
107.01398	0.4
107.04957	0.9
109.02872	4.9
111.00803	8.4
111.01503	0.6
111.04468	2.4
115.05431	0.5
119.04937	1.6
121.02851	3.0
123.04431	68.8
124.04746	0.9
127.03915	100.0
128.04257	1.4
131.04904	0.9
133.02849	1.9
133.06512	0.5
135.04427	4.7
137.02354	16.5
137.03462	1.6
137.05962	0.7
139.03900	64.8
140.04256	1.1
145.06483	0.8
147.04416	10.5
149.01271	0.5
149.02296	3.0
149.05981	0.8
151.03905	35.1
152.04259	0.8
153.01830	2.0
153.05478	2.0
155.03424	2.6
155.04630	0.5
157.06511	1.1
159.04437	1.4
161.02350	0.8
161.05981	1.9
163.03917	8.2
165.05533	3.3
167.03412	4.8
169.06476	0.7
171.04401	1.7
173.05969	1.2
175.03900	16.9
177.01697	0.4
177.05479	5.7
179.03392	36.8
180.03755	0.7
180.20055	0.6
181.04955	1.5
181.06429	0.7
183.04359	0.8
185.05968	2.3
185.28879	0.4
187.03893	1.3
189.05469	4.4
191.03398	12.7
191.10500	0.5
193.04971	4.2
197.05951	1.1
199.03899	2.6
200.04602	0.7
201.05475	6.1
203.03387	24.3
204.03786	0.5
205.04932	2.5
209.11618	0.6
213.05438	5.2
215.03436	1.0
217.04964	4.1
219.06487	1.0
221.04422	0.6
225.05527	0.6
227.03262	1.2
227.12698	0.8
229.04965	5.0
231.06488	3.7
233.04396	6.3
241.04881	2.9
243.06538	1.2
245.04468	11.3
247.05983	3.5
251.05502	1.5
253.04820	1.1
255.06586	0.9
257.01917	0.8
257.04440	11.7
259.06030	4.3
263.05521	12.0
269.04443	7.9
271.06052	4.1
273.07593	6.4
275.05487	17.4
277.06976	1.2
283.05978	1.2
285.07419	0.7
287.05502	54.9
288.05789	1.8
289.06970	1.7
291.08594	1.9
299.05493	16.9
300.05875	0.6
301.06912	1.7
305.06549	12.1
311.05411	1.4
313.06824	0.6
315.08472	1.0
317.06543	14.1
329.06573	0.7
379.07999	0.7
391.07968	2.1
403.05399	0.4
407.07303	0.5
409.09161	8.2
421.08856	1.3
425.08661	18.0
426.08633	0.8
427.10068	1.6
433.09213	0.7
443.09702	4.8
444.09732	0.5
451.10168	1.3
455.09250	0.9
559.12384	1.0
563.11469	1.9
590.96198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01886	0.7
55.05507	1.2
57.03433	2.3
58.30227	0.5
59.05001	0.5
61.02929	6.0
62.52609	0.6
65.78867	0.6
67.05511	8.5
69.03431	3.0
69.07060	0.7
71.01354	0.7
71.04984	2.0
71.46079	0.5
72.43879	0.5
73.02927	5.1
76.16860	0.5
79.05499	2.9
81.03425	4.5
81.07059	4.8
83.04980	1.0
83.08615	2.4
85.02899	7.1
85.06533	0.9
91.03966	4.2
91.05479	4.5
93.07054	2.7
95.04961	2.2
95.08624	2.6
97.02891	6.4
97.06542	0.7
99.04435	1.7
101.02388	2.5
105.07034	1.6
105.28009	0.5
107.04976	0.9
107.08599	1.3
109.02871	1.0
109.06514	0.9
109.10153	6.8
111.08052	0.9
119.08564	2.2
121.10159	1.4
127.03918	2.5
129.06960	0.8
131.08574	1.6
133.10114	1.8
137.09619	1.2
145.10147	0.6
147.11693	1.9
149.09590	1.0
155.10710	0.5
157.10118	1.0
173.11749	2.3
174.12236	0.5
185.04211	0.9
193.12251	2.4
195.09880	1.2
211.13251	1.2
229.14281	1.7
243.08434	2.5
251.12543	3.1
259.07755	0.6
267.15964	0.8
283.14981	0.8
301.09000	0.6
307.15302	0.6
349.13123	0.6
413.12537	1.0
413.17853	12.3
414.18076	1.1
427.19342	1.5
443.18784	1.1
448.28091	1.1
457.20053	0.7
469.20486	12.5
470.20346	0.6
471.21628	1.9
479.25967	0.7
485.23682	1.2
501.23151	2.1
502.23825	0.6
503.23032	0.5
599.62408	0.5
627.29651	1.7
641.31409	100.0
642.31671	8.4
659.32452	4.3
667.32196	1.0
681.30701	2.4
685.33356	1.5
687.35712	2.4
713.33325	2.5
731.36169	62.5
732.35138	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	731.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
58.63077	1.1
61.02932	3.5
67.05511	4.3
69.03443	1.8
69.07068	3.1
71.01350	1.5
73.02932	3.5
79.05489	2.4
81.03439	2.0
81.07071	3.7
83.05019	1.3
85.02943	2.4
91.03970	3.2
91.05497	2.6
93.07066	3.5
95.08614	1.9
97.02894	2.8
97.10133	1.5
105.07019	2.8
107.08611	2.8
109.36427	1.2
119.08606	1.4
121.79814	1.0
128.88191	1.1
133.10175	1.4
135.08113	1.4
135.11720	4.5
145.10178	1.8
184.07430	2.7
185.14522	1.1
193.95999	1.1
231.32159	1.2
242.73688	1.3
243.08504	2.7
315.19467	4.6
371.22089	1.2
439.19348	12.1
533.27356	7.1
731.39813	100.0
732.40033	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	731.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01869	0.6
55.05515	1.8
57.03441	2.4
61.02929	8.0
65.03919	0.5
67.05505	8.2
69.03432	4.4
69.07071	2.6
70.62066	0.5
71.01348	0.4
71.04998	0.9
73.02917	5.2
79.05490	4.5
81.03425	2.2
81.07057	8.0
83.04986	0.7
83.08635	0.9
85.02909	6.9
85.04320	0.5
91.03957	3.4
91.05479	2.8
93.07048	6.9
95.05009	0.8
95.08600	4.7
97.02896	6.1
97.06545	1.0
99.04465	1.2
99.88169	0.4
101.02372	1.8
105.04513	0.4
105.07053	1.5
107.08597	2.9
109.02882	0.6
109.06596	0.4
109.10191	1.6
111.08093	0.7
115.03950	0.4
117.07044	1.1
119.08559	0.4
121.10179	1.5
127.03928	1.3
131.08594	1.0
133.10130	0.8
135.11714	1.3
145.04938	0.5
149.13298	1.7
151.32581	0.3
159.11717	1.0
185.04254	0.7
200.38333	0.3
207.92123	0.4
235.13177	0.9
243.08470	1.7
269.17529	0.6
287.24493	0.4
291.15527	0.4
367.47278	0.4
369.01282	0.5
453.20993	7.4
519.29340	4.2
548.21368	0.4
569.37714	0.5
731.43378	100.0
732.33875	0.3
732.43719	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	731.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.01887	0.4
55.05511	1.7
57.03432	2.2
61.02927	5.9
67.05502	5.0
69.03426	3.8
69.07066	1.2
71.04969	0.4
73.02916	3.7
79.05508	3.5
81.03436	1.7
81.07063	6.7
81.07529	0.8
83.08627	0.9
85.02898	5.9
87.04468	0.6
89.66795	0.5
91.03954	3.7
91.05466	2.2
93.07058	3.8
95.08598	3.0
97.02892	4.5
98.23431	1.1
99.04461	0.7
101.02393	2.0
105.07070	1.4
107.08622	2.6
109.02874	0.8
109.10176	1.7
117.07030	0.9
119.08598	0.8
121.10159	1.9
123.11755	0.7
127.03941	1.5
131.08606	1.0
133.10197	0.9
135.11703	1.0
143.96408	0.4
149.13269	1.4
159.11775	0.8
161.13376	0.4
185.04253	0.8
185.38448	0.4
195.13829	1.0
232.72473	0.4
235.13022	0.9
243.08397	2.4
272.74307	0.6
278.18442	0.5
291.16016	0.5
342.85938	0.5
357.31516	0.5
453.20978	4.9
519.29370	6.8
731.43341	100.0
732.43536	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	733.3618
Annotation	Manassantin A
Peak:m/z	Relative Intensity
55.01876	0.9
55.05523	0.7
57.03435	1.7
61.02932	4.1
67.05515	2.9
69.03439	2.7
69.07067	1.5
69.78332	1.4
71.04997	1.5
73.02920	2.9
79.05511	3.1
81.03423	5.7
81.07053	3.6
83.04994	2.0
83.08620	1.0
85.02895	3.6
91.03975	2.3
91.05515	3.4
93.07042	4.5
93.84465	0.7
95.04974	1.8
97.02907	3.8
97.06537	1.4
98.23331	1.0
99.04495	1.0
101.02402	1.7
105.07045	1.9
107.08576	1.1
109.02876	1.9
111.08102	0.8
115.84964	0.7
119.08565	0.9
121.10159	4.5
127.03909	1.3
131.08621	2.1
133.10168	1.7
137.06013	2.6
137.96349	0.7
139.03947	1.9
139.11221	1.3
147.11717	2.0
149.09686	3.5
157.10159	1.8
157.11403	0.7
157.16090	0.7
157.17453	0.7
175.11212	1.1
193.12303	2.7
243.08492	2.8
251.12595	1.3
267.15900	2.0
269.13724	3.1
327.12485	0.8
427.19263	0.7
431.31912	1.0
443.18839	13.3
469.20575	5.6
487.14575	1.4
487.21445	16.6
597.20551	0.9
645.31482	1.5
671.32068	2.2
689.33344	4.4
715.35846	4.3
733.36127	100.0
734.36798	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
55.05512	1.0
57.03439	2.2
61.02931	6.1
61.72470	0.6
67.05502	6.2
69.03426	4.2
69.07071	2.3
71.01366	0.9
73.02915	4.0
78.13020	0.6
79.05483	5.0
81.03430	2.5
81.07051	6.1
83.08620	1.0
85.02904	6.7
86.09724	2.9
91.03948	4.5
91.05502	3.2
93.07047	5.0
95.08620	4.4
97.02871	5.5
97.10212	0.7
99.04475	0.9
101.02386	2.6
105.07056	2.3
107.08607	3.1
109.02841	0.7
109.10145	3.9
119.08604	1.3
121.10164	2.1
123.11704	0.7
125.00021	1.8
127.03940	1.9
133.10110	3.6
135.11703	1.4
149.13231	0.8
151.11218	1.0
167.55290	0.9
184.07324	7.4
185.07683	1.0
237.11147	1.8
243.08533	1.8
335.26276	0.9
355.27185	0.8
455.18781	5.0
519.29272	7.4
658.89124	0.9
733.41266	100.0
734.41583	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	733.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19938	0.4
55.05517	1.8
57.03434	1.7
60.08179	0.5
61.02925	3.9
65.33212	0.4
65.58755	0.4
67.05506	5.5
69.03429	2.4
69.07080	1.7
69.49323	1.3
71.01363	0.5
73.02915	3.1
79.05490	2.7
81.03429	1.6
81.07053	3.8
83.05028	0.4
83.08620	1.0
85.02914	3.7
86.09715	2.9
91.03950	2.1
91.05489	2.0
93.07037	3.0
95.04990	0.7
95.08604	3.3
97.02887	3.3
97.06567	0.6
99.04455	1.0
101.02397	1.1
105.07043	1.8
107.08601	2.5
109.02937	0.5
109.10162	2.8
119.08575	1.2
121.10175	1.3
123.11708	0.8
125.00024	1.8
127.03933	1.2
131.08572	0.8
133.10156	2.8
135.11694	1.1
151.11214	1.5
184.07356	7.9
185.04248	1.0
185.07753	1.5
193.12437	0.6
221.68172	0.4
237.11110	1.0
243.08559	1.3
246.25337	0.5
253.14232	0.5
267.15872	0.7
292.10126	0.4
311.26080	1.0
338.28012	0.4
455.18747	5.8
467.18848	0.5
492.38068	0.6
504.37924	0.9
519.29480	3.9
733.41266	100.0
734.41669	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	734.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.2
57.03430	1.5
57.07077	33.8
58.90729	0.8
59.04999	3.3
61.02930	1.2
67.05506	2.9
69.03431	4.0
69.07068	2.3
69.39735	3.3
73.02911	5.5
73.06560	3.3
79.05489	1.8
81.07055	2.5
83.08653	1.0
85.02908	0.9
87.04469	100.0
88.70403	0.8
89.06032	36.6
91.05505	3.3
93.07063	2.3
95.04983	3.5
95.08574	1.8
97.02879	1.1
97.06558	1.8
105.07056	1.7
107.04996	1.5
107.07112	1.2
107.08624	1.3
109.10159	1.1
113.06000	9.5
117.07001	1.0
117.09144	3.1
119.04944	1.3
119.08593	2.6
121.06528	2.4
121.10180	2.7
123.11758	1.2
131.04932	1.5
131.07042	24.2
133.06528	2.4
133.08601	22.0
133.10103	1.1
135.11703	2.5
137.71082	0.8
139.07491	1.2
142.52071	0.8
145.06491	1.2
145.10185	1.4
147.07019	1.0
147.07999	4.5
149.09674	3.2
151.11209	0.8
157.08598	2.7
161.09659	1.0
163.11186	2.8
169.36356	0.8
173.09641	2.9
175.09680	22.4
175.11124	1.5
177.11197	9.6
177.12573	1.1
184.07353	1.9
191.10704	1.4
193.12250	1.8
201.11252	2.8
219.12276	10.9
221.13876	1.5
222.10805	1.0
233.19098	1.4
235.16751	1.0
245.13902	1.6
249.12909	1.2
259.20572	4.9
261.22147	1.8
263.14948	2.2
275.23605	1.1
283.15253	2.1
301.16580	1.2
303.23114	4.1
307.17441	1.1
311.25876	4.3
347.25723	1.5
428.77795	0.9
431.27057	1.1
519.36890	3.3
537.37671	1.1
717.46912	1.1
734.40363	4.5
734.52148	8.7
735.42828	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	736.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36005	0.8
56.56629	0.8
63.02348	0.9
65.03940	1.6
69.39936	3.7
79.05487	1.5
83.89548	0.8
85.02888	2.0
89.03923	3.4
91.05486	13.4
93.07040	2.7
95.04968	2.1
97.02877	0.7
103.05472	2.9
105.03394	1.8
105.07025	1.6
107.04951	1.7
115.05484	1.6
117.03378	8.3
117.07061	0.9
119.04948	16.4
121.02813	0.7
121.06511	4.6
122.03646	1.6
128.15257	1.0
130.04132	1.4
131.04958	1.9
133.02850	45.9
133.06503	3.5
135.04404	3.1
137.05980	17.5
143.04935	1.2
145.02846	18.1
145.06522	2.0
146.03596	1.0
147.04398	16.1
149.02396	0.9
149.05980	25.7
150.03134	2.4
150.06766	13.5
151.03915	5.1
151.07504	2.3
157.04005	2.4
158.03616	1.5
161.05972	10.8
162.03108	1.4
162.06723	2.7
163.03902	1.2
163.07465	1.0
165.05467	8.4
167.07066	1.1
173.05983	5.7
175.03906	38.4
175.07388	1.9
176.04324	1.3
177.01936	4.8
177.05475	52.0
177.06885	2.1
178.05826	1.4
178.07780	0.7
179.07036	2.2
181.04921	1.9
186.03134	2.0
187.07611	1.3
189.07072	1.1
189.09111	1.3
191.03406	2.3
191.06918	1.5
194.02156	4.9
194.07317	1.0
195.02832	1.1
201.05467	36.6
202.05856	1.3
203.07097	1.3
205.04916	1.3
205.06525	5.0
209.04456	35.1
210.04654	1.1
213.09100	1.1
217.06602	0.8
219.08168	1.6
219.10135	2.0
221.06070	1.0
222.06778	2.6
233.06061	13.9
234.06685	2.1
235.07513	0.9
237.09160	3.1
243.10039	0.9
247.07556	3.0
249.05498	3.5
250.06181	3.9
251.05365	1.4
261.05441	6.8
262.06207	1.7
264.07773	3.0
265.08603	11.4
266.09332	0.9
273.11234	1.2
275.05280	0.8
275.07260	1.4
277.04886	2.4
277.08395	1.9
278.05789	1.6
279.10172	1.1
282.08801	0.9
291.09952	1.2
292.07248	6.5
293.08063	12.6
294.08682	1.1
295.09830	0.8
297.11087	2.0
305.07956	1.6
307.09616	9.2
309.11197	1.6
310.08511	0.8
325.10687	100.0
326.11032	3.5
337.10681	8.9
343.11874	1.6
355.11639	5.8
367.15466	3.0
397.16425	6.8
427.17480	1.2
466.61377	0.9
653.18671	18.5
654.18756	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02379	0.9
66.55815	0.3
69.14980	0.6
69.15384	1.3
70.06592	2.6
72.04514	0.6
72.08141	1.1
78.04710	0.6
84.08141	1.1
85.02927	0.3
89.03914	10.2
91.05473	2.4
91.44773	0.3
93.07059	0.5
95.04944	0.3
103.05437	0.8
105.03357	0.5
106.04177	0.8
107.04867	0.3
109.06512	0.5
110.09692	0.5
112.07589	1.6
112.11232	0.7
113.07116	0.3
113.10744	1.0
114.09159	3.4
117.03374	33.1
118.03665	0.4
119.04945	3.9
121.06501	0.3
133.02840	2.5
133.06477	0.6
134.03627	2.1
135.04410	1.8
137.05980	3.6
143.11737	0.9
145.02840	75.9
146.03220	1.5
147.04414	3.1
149.05980	10.9
150.06671	0.7
151.03822	0.3
151.07536	1.3
155.11809	1.8
157.13344	0.7
161.05975	1.4
162.06754	1.3
163.03854	0.9
163.07549	0.9
165.05492	0.4
169.13350	3.7
170.16611	0.4
171.14929	1.4
175.03931	2.6
177.05461	100.0
178.05750	2.0
179.07034	3.7
180.07802	0.5
186.05482	1.3
188.17546	1.8
201.05440	3.0
214.15479	2.1
217.05009	0.5
218.10284	0.5
226.15468	0.8
231.06485	0.7
232.09666	1.3
233.12807	1.5
234.11229	11.9
235.11540	0.5
263.13992	0.5
268.16528	1.0
272.09247	0.3
291.06311	0.6
303.16962	0.5
305.07990	1.1
305.18600	0.9
307.16409	0.6
323.09119	0.4
325.10727	2.4
325.75903	0.3
331.18808	0.6
333.17862	0.4
337.10715	1.8
341.10138	0.7
346.21249	19.5
347.19730	0.7
355.11761	2.8
359.22113	0.7
362.20715	7.8
363.21353	1.4
364.22253	10.6
373.12762	1.4
377.23151	0.5
382.16412	1.5
388.18582	0.3
390.20099	0.4
402.20160	3.9
408.14352	0.6
414.20111	1.2
430.18359	1.0
494.26346	1.2
506.22635	1.4
510.25732	0.6
512.27502	3.1
524.27264	0.9
538.25464	10.0
539.26099	1.6
540.27075	0.8
542.28571	10.5
543.27930	0.4
560.29657	19.7
561.29437	1.3
688.32166	2.1
718.32690	0.5
736.34192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
57.03427	1.9
57.07074	32.6
59.04988	0.6
67.05494	4.6
68.21231	0.6
69.03423	1.2
69.07070	2.8
71.04978	0.6
73.02916	100.0
73.06552	1.0
74.87653	0.6
79.05499	2.0
81.03421	8.3
81.07058	4.1
83.04985	1.5
83.08620	3.9
86.09717	2.0
87.04469	12.7
88.04827	1.0
89.06032	18.0
89.76772	0.6
90.06310	0.6
91.05486	6.1
93.07041	4.4
95.04964	4.2
95.08596	3.1
97.02934	1.0
97.10181	0.8
103.05513	1.5
105.07058	2.6
107.04996	0.7
107.08628	2.6
109.10178	1.0
111.08125	1.0
117.05531	2.6
117.07036	1.5
117.09177	0.7
118.07847	2.1
119.04952	1.3
119.08576	3.9
121.06512	12.1
121.07309	0.8
121.10180	1.9
123.11734	1.1
125.00033	1.8
125.09648	0.7
129.07042	0.8
131.07051	4.2
131.08649	1.3
133.08607	12.1
133.10159	1.2
135.08083	2.2
135.11749	1.9
145.10172	1.2
147.08049	6.4
147.11674	0.8
149.09602	3.4
149.13316	0.8
150.06786	1.6
157.10185	0.7
159.11789	1.2
161.08159	2.8
163.11180	1.6
165.09091	3.9
175.09760	3.0
175.11308	1.8
177.11327	4.4
177.12708	0.9
181.49913	0.8
184.07347	11.3
184.08842	0.8
191.10797	1.5
193.12241	3.3
205.10709	8.3
209.11937	2.0
211.13489	1.8
211.40175	0.6
219.12364	0.8
221.13972	2.0
233.18973	8.6
235.13486	1.6
249.13277	3.0
249.19868	0.6
253.14532	0.8
259.20761	1.3
267.15894	15.1
277.21619	12.0
278.22220	0.9
303.23444	1.5
311.25787	11.5
321.24350	3.4
486.11472	0.7
503.37411	9.5
503.44421	0.9
521.39014	2.4
552.19476	0.7
579.34302	1.3
686.44861	1.3
691.47186	1.2
698.94373	0.7
736.49017	26.5
737.49561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05512	9.5
57.03437	5.2
57.07079	30.5
59.05006	1.2
61.02921	3.0
65.03929	0.9
67.05506	41.7
69.03438	0.8
69.07064	11.1
69.50356	2.4
71.04993	21.3
71.08636	26.5
73.02916	0.9
79.05492	8.6
81.03397	1.0
81.07059	79.4
82.07404	1.5
83.04993	2.4
83.08620	13.9
85.02911	2.3
85.06537	10.9
85.10189	19.3
87.04500	0.7
87.21072	0.7
91.03953	1.4
91.05482	13.5
93.07044	8.6
94.02694	0.7
95.04984	1.6
95.08607	26.3
96.08952	1.0
97.02902	1.1
97.06533	3.7
97.10172	6.0
99.08096	2.1
99.11726	1.1
105.07049	6.9
107.08604	7.8
109.10155	16.2
111.08073	0.9
111.11718	1.2
117.07020	2.0
121.10147	2.8
123.11710	17.6
125.13255	0.9
131.08591	2.6
133.10127	14.2
135.11703	2.0
137.13274	1.4
139.11320	0.8
149.13264	3.0
151.11198	8.5
159.11685	2.8
168.29839	0.8
169.12234	2.3
170.12451	0.7
177.12810	2.0
183.13858	3.4
187.13281	6.3
195.13843	2.0
218.36041	0.7
230.33276	0.8
239.23734	3.1
243.40466	0.7
257.17389	1.2
269.17426	5.8
285.16937	0.9
301.20111	19.5
313.27365	21.1
313.30942	1.6
314.27676	1.1
316.18317	1.0
393.13638	0.8
481.38870	85.3
482.39313	7.2
495.40469	1.2
507.40323	6.5
539.43060	100.0
540.43298	7.3
683.65295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01864	12.6
55.05511	10.9
57.03439	14.3
57.83245	1.1
61.02919	1.4
65.03953	1.3
67.05505	25.3
69.03431	8.8
69.06717	1.5
69.07069	18.5
71.04972	8.3
72.77272	1.1
72.79235	1.2
73.02902	1.8
79.05492	23.4
81.03415	32.7
81.07056	49.3
82.13480	1.1
83.04974	8.3
83.08623	9.3
85.02902	5.6
85.06537	6.0
91.04945	1.7
91.05476	24.7
93.07042	57.0
95.04967	18.6
95.08601	16.1
96.85217	1.1
97.02886	2.5
97.06528	15.0
97.10171	3.7
99.04453	11.6
102.30692	1.2
102.31557	1.1
103.03950	1.1
103.05493	1.5
105.06459	1.1
105.07027	38.4
107.04951	5.5
107.08592	62.7
108.08901	1.4
109.02843	1.9
109.06509	19.2
109.10147	20.0
111.04453	1.7
111.08080	12.9
111.11755	1.9
113.06001	5.1
117.05486	2.4
117.07015	5.5
119.08569	15.8
120.08104	2.1
121.06496	18.6
121.10141	52.7
123.08079	8.1
123.11703	4.1
125.05994	1.6
125.09580	1.4
127.07542	4.1
129.05438	2.0
129.06970	3.3
131.08568	5.8
133.06535	3.8
133.10133	24.6
135.08052	10.4
135.11697	17.9
136.37955	1.3
137.05937	2.0
137.09598	2.7
139.07539	2.2
139.11169	4.8
141.01778	1.3
143.08565	3.4
145.10123	29.5
147.08084	2.6
147.11685	9.6
149.09618	24.3
151.07535	8.0
151.11159	14.8
157.08633	3.7
157.10155	3.8
161.09608	3.9
163.11180	75.6
164.11578	1.5
165.12726	1.6
167.10683	30.7
168.10977	1.6
169.08595	76.4
169.12260	3.1
170.09018	1.5
173.08379	1.3
173.09627	7.4
175.11163	4.7
181.12234	15.9
185.11781	3.4
191.10657	37.0
193.12236	12.7
207.10077	1.6
209.11746	14.0
211.13268	3.2
224.00021	1.3
225.11198	1.5
227.12764	66.8
228.13115	1.7
239.16382	5.7
241.14212	1.5
243.12376	1.9
261.53177	1.5
265.14346	19.3
267.15903	51.1
268.16101	1.3
281.13824	1.6
283.15390	62.9
284.15677	2.2
285.16934	1.6
299.14883	39.5
300.15137	1.3
301.16455	100.0
302.16763	4.8
310.13721	1.1
325.16263	1.6
331.17184	1.4
331.39737	1.5
403.24619	1.6
421.25604	2.2
441.17529	1.3
447.27567	1.8
459.18808	1.6
459.27124	3.1
472.34070	1.8
473.25256	6.6
477.19550	3.0
477.28271	5.6
491.26352	45.6
492.26541	3.5
509.27466	46.4
510.27560	3.8
527.28510	83.6
528.28809	5.7
541.29694	1.5
576.34796	3.6
731.84241	1.5
738.40790	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	738.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.1
53.03937	3.8
55.01863	4.0
55.05509	13.5
57.03439	12.1
59.05000	2.2
59.14136	1.1
61.02905	1.1
63.21707	1.2
65.03938	1.4
67.05504	19.7
68.76411	1.1
69.03420	4.2
69.07072	5.4
69.87864	0.9
71.01335	1.4
71.04987	2.0
73.02902	1.9
75.00740	0.9
79.05489	17.7
81.03416	69.3
81.07056	20.5
83.04967	5.8
83.08617	21.0
85.02904	3.3
85.06535	1.2
91.05479	28.6
93.07038	17.2
95.04971	22.3
95.08610	7.4
97.02887	5.0
97.06517	2.7
97.10162	6.1
99.00819	12.5
99.04417	1.4
99.08077	2.0
103.05430	1.4
105.04572	1.2
105.07029	21.2
107.04950	11.9
107.08604	10.3
109.02867	11.2
109.06500	3.8
109.10164	5.7
111.04440	3.2
111.08069	9.7
115.03931	2.1
115.05486	1.1
117.07010	5.9
119.08572	16.9
121.06497	9.2
121.10146	7.6
123.04421	3.6
123.08057	3.2
123.11723	2.2
125.09637	4.7
127.03918	2.5
129.07013	8.8
131.08571	9.0
133.06482	3.3
133.10123	33.6
135.08041	3.0
135.11668	2.8
137.06017	1.8
137.09642	1.9
139.07556	2.2
142.07745	1.8
143.08543	5.3
145.06419	1.7
145.10127	3.5
147.08047	5.0
147.11682	6.8
149.09618	4.4
151.11171	8.8
157.10146	8.1
161.09587	19.4
163.11200	2.6
165.09201	1.2
165.12726	1.8
169.10114	1.4
171.08034	4.2
173.09601	1.4
173.13184	1.5
175.11176	7.2
179.10666	10.0
181.12202	1.3
189.09105	10.2
189.11200	3.2
193.12236	22.5
197.11711	2.4
207.10182	3.9
211.13292	3.2
219.13763	8.5
225.11189	11.9
227.12796	3.4
237.93573	1.2
249.14815	1.9
255.23192	1.2
267.15906	92.1
268.16220	3.0
281.13699	6.5
283.15433	1.4
285.16901	3.6
299.14880	70.9
300.15109	2.2
356.81339	1.1
381.20654	1.9
385.23639	1.5
389.23752	1.5
399.21606	2.4
407.70135	1.3
417.22861	1.4
445.25607	8.0
459.27365	6.3
463.26907	5.2
473.25235	31.4
474.25555	1.5
477.28693	6.8
491.26361	100.0
492.26630	4.3
505.27774	1.3
509.27362	4.5
523.29291	1.2
533.27130	1.5
576.35175	1.6
685.29858	1.2
694.36383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
54.87894	2.2
55.00679	2.2
55.01866	3.0
55.05512	14.7
57.03432	8.7
57.07075	3.3
65.86209	2.6
67.05502	60.4
67.39635	2.2
69.07063	16.6
69.08080	11.9
71.04998	2.7
77.03885	2.2
79.05488	64.3
81.03409	5.3
81.07055	54.0
83.04971	11.4
83.08614	6.9
83.69405	2.2
86.09710	2.1
91.05481	44.4
93.07042	67.5
95.04958	19.0
95.08606	41.5
97.10162	4.2
98.22622	4.1
105.04507	5.3
105.07039	31.1
107.04932	3.7
107.08596	21.1
109.06469	4.2
109.10159	13.8
111.08102	2.3
117.07026	9.0
119.08579	21.1
121.10133	13.7
123.08072	3.8
123.11687	2.7
129.07007	9.5
131.08548	7.0
133.10141	10.5
135.11691	6.2
143.08559	7.2
145.10126	12.0
147.07980	2.3
147.11696	25.3
155.93626	2.4
159.11646	2.9
161.09586	4.4
161.13290	10.4
169.10089	2.1
171.11693	15.0
173.13290	3.3
175.14906	2.8
184.07335	4.5
189.12730	4.5
193.51082	2.4
207.13734	17.1
212.28183	2.2
218.65720	2.7
261.22125	3.9
279.15921	3.2
281.17435	45.7
335.25812	41.3
397.70651	2.5
456.23608	2.8
463.58975	2.4
514.42053	2.4
518.52136	2.8
541.38879	100.0
542.39142	7.2
559.39563	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	738.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
56.05024	0.3
57.03436	1.2
57.07073	3.4
58.03795	0.1
58.06618	0.4
60.07869	0.3
60.08163	5.4
60.08467	0.3
62.43250	0.2
67.05499	1.7
69.03435	0.2
69.07064	0.8
69.47551	0.6
71.04967	0.1
71.07367	2.8
71.08260	0.3
71.08628	2.7
71.10262	0.2
71.11281	0.1
72.08952	0.2
76.98732	0.1
79.05496	1.0
81.03414	7.1
81.07049	2.1
83.04985	0.6
83.08614	2.5
85.10182	1.3
86.09701	25.7
87.10059	0.3
91.05491	1.0
93.07047	0.6
95.04961	1.9
95.08602	2.0
97.10165	0.4
98.98454	2.4
104.10740	1.3
105.07018	0.7
107.04962	0.4
107.08595	0.4
109.10167	1.0
111.08073	0.7
115.05476	0.2
117.06976	0.2
119.08578	1.1
121.06504	0.2
121.10142	0.3
123.04387	0.2
123.11723	0.4
124.99998	17.0
129.06995	0.6
131.08560	0.6
133.06506	0.2
133.10107	0.4
135.11681	0.2
147.08072	0.3
147.11629	0.7
149.09601	0.3
157.10098	0.7
157.11258	0.1
157.61336	0.2
175.11145	0.9
184.07332	100.0
185.07655	1.2
193.12241	2.8
235.13416	0.2
239.23712	0.2
249.14926	0.2
257.24701	0.2
267.15891	11.7
268.16196	0.6
313.27341	11.8
314.27707	0.5
473.25540	0.2
505.38837	9.4
506.39429	0.8
547.39575	0.4
580.97913	0.2
591.03040	0.2
601.40582	0.2
688.45367	10.3
689.45392	0.9
738.44409	0.2
739.40912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05305	0.5
55.05514	5.3
56.05022	0.6
57.03185	0.8
57.03436	8.7
57.07073	23.2
58.44872	0.5
59.04994	0.5
60.00326	0.6
60.06891	0.5
60.08166	5.7
61.02917	1.3
65.03882	0.5
67.05167	0.9
67.05504	12.7
69.03420	1.8
69.07059	5.5
71.04974	1.8
71.07365	3.5
71.08626	14.8
77.78889	0.7
79.05486	6.4
81.03413	42.3
81.07053	11.3
83.04980	2.0
83.08122	1.0
83.08612	16.4
85.02905	2.6
85.06555	0.7
85.10175	9.5
86.09701	31.9
88.03181	0.6
89.05994	0.7
91.05471	9.4
93.07036	5.4
95.04964	14.3
95.08604	10.7
97.02870	2.1
97.06527	1.4
97.10166	4.4
98.98470	3.0
102.21514	0.5
104.10743	1.9
105.06358	0.7
105.07029	7.1
107.04947	3.1
107.08570	2.9
109.06480	1.4
109.10157	6.2
111.04432	0.7
111.08078	3.4
113.93711	0.6
115.05478	0.8
117.07005	0.6
119.08577	7.0
121.06514	1.1
121.10144	4.3
123.04408	0.9
123.08044	1.0
123.11694	2.5
124.99997	19.9
129.06987	5.4
131.08578	3.9
133.06470	1.5
133.10127	2.6
137.09613	1.0
142.07732	1.9
147.07993	1.8
147.11673	4.3
149.09599	2.5
157.10101	4.4
158.73666	0.6
161.09663	0.8
165.12715	1.1
175.11177	5.5
184.07330	100.0
193.12234	16.8
195.13611	0.6
211.13307	1.5
238.99608	0.6
239.04909	0.5
239.23798	1.1
249.14874	0.7
257.24707	1.7
259.13126	0.7
267.15891	75.8
268.16245	2.6
301.14285	1.2
309.16922	1.7
313.27341	77.8
314.27634	3.9
384.55576	0.6
440.46304	0.6
505.38846	64.8
506.39240	4.9
522.38416	0.7
523.39502	1.0
547.39874	2.2
571.77142	0.6
688.45496	10.5
689.44989	1.1
703.23206	0.9
738.44763	6.0
739.41754	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	738.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	73.4
64.21608	1.1
67.05505	1.4
69.75118	4.4
73.02891	1.2
73.06555	3.0
87.04469	27.9
89.06034	100.0
91.05488	9.4
93.07060	5.0
95.05000	1.6
99.11753	3.5
103.05492	2.1
105.07072	1.7
107.04961	2.9
107.08624	1.5
117.07037	3.0
117.09108	1.9
118.07819	4.5
119.04947	1.8
119.08595	5.3
121.06506	16.1
121.10183	1.7
123.08088	1.5
130.08621	2.9
131.07033	12.8
133.08611	68.2
135.08034	8.7
135.11655	2.4
147.08055	9.6
147.11758	1.4
149.09616	3.9
150.06766	4.9
163.11169	5.0
165.09116	4.2
167.10725	2.3
175.09682	8.0
177.11232	27.1
177.12794	2.4
191.10721	3.7
193.12285	2.3
209.11771	2.7
211.13217	2.7
219.12303	1.5
219.17430	19.2
221.13840	4.4
235.13354	4.2
245.18936	3.3
255.15994	2.9
261.22064	1.8
263.20062	30.7
265.16528	1.5
279.16028	1.9
283.17480	2.3
286.99136	2.1
289.21628	4.5
307.22653	8.8
323.18719	1.6
326.19357	1.3
353.21805	1.9
354.05255	1.3
479.58411	1.5
623.35852	1.4
721.47302	9.9
738.50055	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	740.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.57180	0.6
55.01868	2.9
55.05503	3.7
57.03431	4.9
61.02921	7.4
61.75334	0.5
62.40802	0.6
65.03944	1.1
67.05501	11.3
69.03062	1.2
69.03425	18.7
69.03799	1.0
69.07070	3.2
70.43633	1.2
71.01364	0.7
71.04984	3.0
73.02909	4.1
73.19366	0.5
77.03932	1.0
79.05486	14.0
81.03419	8.5
81.07055	19.4
83.01329	0.8
83.04987	1.1
83.08621	1.8
85.02901	100.0
86.03234	1.2
87.04453	2.1
91.03967	4.7
91.05474	20.2
93.07040	19.5
93.07494	0.5
95.04960	3.0
95.08607	21.6
97.02891	29.9
97.06535	1.2
97.10167	1.4
99.04457	5.6
101.02390	1.0
103.03960	1.1
105.04517	0.9
105.07024	32.3
107.08585	23.6
109.02879	7.5
109.06533	1.5
109.10153	8.3
111.08073	1.1
115.03936	1.6
115.05470	0.8
116.06213	0.7
117.07013	12.6
117.48637	0.6
119.06050	0.8
119.08577	23.4
121.10143	12.4
123.04451	1.3
123.08047	1.1
123.11700	1.7
125.09627	0.9
127.03910	26.9
129.07001	2.3
130.07758	1.8
131.08560	22.1
133.04947	0.8
133.10130	15.1
133.11140	0.7
135.11693	6.8
137.05977	0.6
143.08562	2.7
144.09338	1.3
145.04951	48.7
145.10117	42.8
146.10818	0.7
147.11693	9.2
149.09619	1.1
149.13260	1.7
157.10149	3.8
158.10910	1.0
159.11688	24.1
160.12253	0.9
161.13254	9.6
163.06018	18.8
163.07320	0.7
163.11137	0.9
163.14819	0.7
169.10112	1.6
171.11664	1.3
173.11790	1.1
173.13234	11.0
174.13577	0.6
175.14786	5.0
177.16418	0.6
179.05493	1.7
183.11800	0.8
185.13237	1.6
187.14819	1.6
189.16360	2.6
191.17944	3.0
197.13112	0.7
199.14799	2.1
201.16374	88.8
202.16690	2.3
203.17941	7.7
211.14592	0.8
213.16405	1.3
217.15900	1.7
218.98750	0.6
219.17424	54.4
220.17737	2.1
224.59962	0.7
225.16339	0.9
229.15869	0.6
231.17410	1.3
237.18488	3.1
243.17403	1.1
259.16940	1.1
271.08154	1.2
285.18719	0.7
289.09082	1.5
295.15350	0.8
297.18628	1.0
300.37561	0.6
309.18445	1.0
325.11304	7.1
327.19540	1.9
345.20679	2.8
363.21591	4.5
376.37454	0.6
381.22626	5.1
399.24185	0.8
474.08514	0.7
496.00031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01866	15.8
55.05506	28.5
57.03432	22.9
57.07050	2.1
59.04993	2.9
59.21772	1.1
61.02920	3.4
65.03944	2.3
67.05502	47.4
69.03443	6.6
69.07064	11.0
70.70754	2.4
71.01349	1.8
71.04987	7.3
73.02914	3.4
77.47080	1.0
79.05486	37.0
81.03412	100.0
81.07049	35.0
82.03751	1.8
82.04202	2.7
83.04977	25.2
83.08615	28.7
85.02910	6.3
85.06538	3.3
87.04460	2.5
91.05476	33.2
92.05827	1.2
93.07040	31.7
95.04962	39.9
95.08601	13.8
97.02871	7.4
97.06551	10.0
97.10165	15.9
98.07322	3.2
99.04449	2.9
99.08079	1.4
104.04528	1.3
105.04539	1.8
105.07018	21.8
107.04949	18.9
107.08591	21.7
109.02896	2.1
109.06507	6.0
109.10144	17.5
111.04435	14.5
111.08083	13.2
115.05464	2.4
116.04706	8.1
117.05516	2.4
117.07018	6.8
119.04915	1.6
119.08578	22.9
121.02879	4.8
121.06471	7.2
121.10133	14.7
123.04452	1.6
123.08035	5.8
125.05969	2.5
125.09635	13.3
129.05470	19.1
129.06979	13.9
131.08565	15.5
133.06505	6.1
133.10118	10.4
135.04408	4.6
135.08052	4.5
135.11679	15.9
137.05939	1.4
137.09642	3.8
142.07776	1.4
143.07022	3.7
143.08618	2.1
145.06482	4.1
145.10106	9.4
147.04385	2.0
147.08031	6.2
147.11659	13.0
149.09616	8.8
151.11182	2.3
153.09119	2.9
153.12721	22.8
155.08554	3.1
155.10699	1.6
157.08624	8.2
157.10139	12.4
159.07982	1.5
163.11179	18.9
165.12735	3.1
171.06583	1.5
171.10132	2.9
171.11607	2.3
173.09668	3.7
173.11760	3.2
173.13269	1.3
175.11174	13.0
181.12231	17.1
183.11665	2.7
185.11665	1.3
189.11189	11.2
191.10683	9.5
193.12224	37.0
199.13329	4.6
200.14059	1.7
201.12897	2.0
201.14899	2.6
203.14354	1.8
205.12297	2.0
209.11697	9.9
209.13329	1.3
211.11481	2.2
211.13293	8.3
219.13777	4.6
223.13043	1.4
227.12750	43.8
228.13116	1.3
229.12241	2.5
229.14313	15.4
231.13832	2.8
235.13280	1.6
247.13281	23.8
249.14856	5.1
252.22571	1.2
255.16112	1.7
259.13043	1.4
263.17026	1.3
265.14478	3.6
267.15884	81.1
268.16284	3.6
277.14468	1.3
283.15359	25.2
285.17130	3.3
301.16458	28.8
302.16846	1.5
321.16989	7.3
337.21567	1.3
339.18130	2.0
354.80441	1.3
383.22089	4.5
401.23175	3.3
421.25809	2.7
447.27518	1.9
457.25854	2.3
459.27524	3.3
461.28955	7.1
475.26871	20.8
476.27585	4.2
493.27847	27.5
525.30450	2.1
688.92426	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01876	0.7
55.05510	5.0
57.03440	3.6
59.04999	0.6
60.10427	0.4
60.45486	0.3
65.03943	0.7
67.05503	18.2
69.03451	0.6
69.07065	3.1
71.04993	7.7
79.05489	9.6
81.03415	16.1
81.07053	26.5
82.07367	0.4
83.04955	1.9
83.08609	5.4
85.02903	0.4
85.06549	3.8
91.05476	11.9
91.06056	0.6
93.07048	7.9
95.04971	11.1
95.08611	4.6
97.02892	0.8
97.06519	2.5
97.10168	3.5
99.08096	0.5
105.07030	7.7
107.04945	7.2
107.08590	7.2
109.06517	6.1
109.10154	4.1
111.04432	0.8
111.08086	1.8
117.07024	3.0
119.04956	0.5
119.08563	5.2
121.06500	5.6
121.10151	4.0
123.04435	0.5
123.08068	2.1
123.11689	4.0
125.09647	2.8
129.05487	0.4
129.06989	3.2
131.04919	0.7
131.08566	6.7
133.06511	1.6
133.10118	8.1
135.08037	1.8
135.11673	2.1
137.05977	0.5
137.09621	0.9
141.06961	0.7
142.07823	0.4
143.08577	1.2
145.02162	0.5
145.06512	1.7
145.10120	2.2
147.08060	2.5
147.11665	2.7
149.09662	2.7
149.13278	2.2
151.11174	3.2
155.08560	0.6
157.10115	3.1
159.08052	1.3
159.11684	2.2
161.09630	1.1
163.11179	1.5
165.12746	0.5
169.10158	0.9
171.08049	0.5
171.11736	1.4
173.09607	0.9
173.11847	0.5
173.13277	1.7
175.11130	2.1
177.12750	1.3
179.14297	0.4
181.10123	0.4
183.11723	1.2
183.13602	0.5
185.13246	1.1
187.11237	0.6
187.13190	1.0
189.09076	0.9
189.11201	1.0
189.12828	0.8
191.14334	2.2
191.52197	0.4
193.12198	3.5
195.11827	0.5
197.13358	0.5
199.11143	0.8
201.12711	1.0
205.12209	0.6
213.12740	0.8
215.14206	0.4
217.12419	0.5
217.15862	1.1
219.13774	3.1
219.17311	0.7
221.15363	0.5
223.13187	0.5
227.12633	0.6
231.13884	0.7
231.17343	0.5
233.15309	0.8
243.15797	0.5
249.14885	1.0
257.17593	0.6
259.17029	0.6
267.15909	6.4
268.16086	0.6
269.17422	1.6
271.16986	0.5
273.18509	0.6
275.16522	0.9
275.20132	0.7
301.14258	0.7
301.20132	3.4
325.21814	0.9
343.22675	5.2
351.23193	1.2
361.23840	1.3
369.24292	1.6
387.25287	0.7
399.25406	0.4
407.25980	0.8
417.26556	2.5
421.34821	0.5
425.26871	1.9
435.27469	11.7
436.27710	1.2
443.27859	7.9
461.28949	100.0
462.29315	7.6
475.30521	1.0
493.31656	4.3
503.29910	0.7
527.22668	0.5
569.30505	0.5
582.45532	0.4
587.32062	0.8
601.33820	0.4
620.35016	0.5
637.36035	0.5
680.11151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01859	1.4
55.05504	6.2
57.03434	3.2
57.07085	0.7
57.99831	0.4
59.05001	0.7
65.03936	0.8
67.05502	15.9
69.03429	1.4
69.07066	2.6
69.15198	2.6
71.04996	7.1
75.53468	0.4
79.05489	8.6
80.36279	0.4
81.03416	15.9
81.07053	25.0
83.04979	2.3
83.08611	4.7
85.02912	0.6
85.06554	2.4
91.05477	10.3
93.07043	8.3
95.04963	9.7
95.05540	0.8
95.08598	4.8
97.02878	0.6
97.06538	2.0
97.10155	2.3
99.08110	0.8
105.07029	7.5
107.04962	7.1
107.08588	4.7
109.06522	4.5
109.10159	3.9
111.04443	0.5
111.08092	1.2
115.05434	0.7
117.07038	2.9
119.08587	4.4
121.06506	5.7
121.10149	3.5
123.08102	1.3
123.11693	3.6
125.09605	2.0
127.02064	0.4
129.07001	2.4
131.08577	5.0
133.06488	1.5
133.10127	6.7
135.08046	2.1
135.11713	1.5
137.09654	0.5
141.06955	0.5
142.07840	0.6
143.08542	1.9
145.06482	1.9
145.10129	2.5
147.08005	2.0
147.11696	2.4
149.09628	1.9
149.13243	1.3
151.11165	1.5
153.09094	0.7
155.08548	0.6
157.10091	2.7
159.08130	0.8
159.11693	2.3
161.09593	1.0
161.13181	0.5
163.11179	1.4
167.08606	0.6
169.10109	0.7
169.12288	0.8
171.11691	0.9
173.09581	0.5
173.13275	1.3
175.11215	2.9
177.12773	1.1
181.10185	0.5
183.13791	0.6
185.13261	0.8
187.11237	0.4
187.13246	0.8
189.09190	0.6
189.11208	0.9
191.14372	1.5
193.10614	0.7
193.12209	3.5
205.12297	0.7
217.15941	0.9
219.13820	2.4
219.17337	0.6
225.12843	0.5
239.14418	0.4
249.14867	1.1
257.17538	0.9
267.15878	7.7
269.17380	0.9
273.18588	0.6
275.16492	1.1
301.20197	3.5
315.23080	0.9
325.21603	0.8
343.22723	3.8
351.23141	0.7
361.23630	1.0
369.24155	2.4
389.26321	0.6
405.76346	0.4
417.26413	3.9
425.27002	1.0
435.27377	13.3
436.27829	1.0
443.27863	8.0
461.28949	100.0
462.29379	6.4
475.30527	1.3
493.31494	5.8
494.31729	0.7
503.30283	0.6
543.29431	0.4
569.30975	1.2
589.33929	0.6
593.21899	0.5
605.33386	0.6
619.34937	0.8
651.28699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01868	2.5
55.05513	14.3
55.05758	0.8
57.03438	8.8
57.07066	2.0
58.94578	0.4
61.02890	1.6
65.03912	1.4
67.05504	44.5
67.05856	1.6
68.05799	0.6
69.03394	1.7
69.07066	12.1
70.60732	0.6
71.04988	2.6
73.02881	1.1
77.03902	1.0
79.05492	35.3
80.05813	0.5
81.03381	1.8
81.07056	44.3
82.07353	0.5
83.04977	2.9
83.08617	9.5
85.02859	1.2
85.06541	0.9
86.09678	0.8
91.05474	15.5
93.07043	49.5
94.07346	0.7
95.04968	7.0
95.08604	50.6
96.08902	0.8
97.02884	3.9
97.06541	3.2
97.10156	2.1
99.04471	3.1
99.08033	0.6
103.05392	0.5
105.04490	1.8
105.06369	0.7
105.07024	11.2
107.04956	6.8
107.08591	32.3
108.08916	0.6
109.06516	2.6
109.09445	0.5
109.10155	10.0
111.04381	1.1
111.08051	1.0
113.09630	0.5
115.05421	0.6
117.07017	8.4
117.77566	0.4
119.08582	13.7
121.05747	0.4
121.06510	4.8
121.10140	17.7
123.08020	1.0
123.11705	2.5
125.05985	2.1
129.06984	0.7
130.07750	1.3
131.08571	4.5
133.10115	5.7
135.08025	1.6
135.11691	41.9
136.11990	0.9
137.09615	0.9
137.13223	1.2
139.07481	1.6
143.08508	0.7
144.09326	0.4
145.10124	24.6
147.11676	2.5
149.13246	2.7
151.11203	0.4
153.12720	0.9
159.11703	2.0
161.13242	2.4
161.14369	0.4
163.11177	47.7
163.14842	1.4
164.11473	0.8
173.09630	0.6
173.13197	1.9
175.14888	0.8
181.12225	7.8
184.07352	0.8
187.14828	1.1
190.46553	0.4
201.16324	0.5
208.09323	0.4
209.11700	1.3
227.12770	51.9
228.13106	1.2
243.21071	1.7
261.22162	7.5
279.22879	0.5
283.15393	51.9
284.15695	2.0
297.11868	0.5
317.24741	1.4
335.25787	100.0
336.26077	4.7
361.30505	0.4
543.36804	77.5
544.37115	6.1
611.22424	0.5
726.75281	0.5
740.42853	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
53.57233	0.6
55.01865	5.2
55.05510	19.9
57.03436	13.0
57.07069	3.8
61.02900	2.2
64.93064	0.7
65.03905	1.9
65.95215	0.6
67.05501	50.7
69.03401	2.3
69.06717	1.0
69.07062	14.1
71.05002	3.7
73.02892	1.7
77.03898	2.2
79.05489	49.8
81.03401	1.9
81.07053	53.0
83.04960	4.5
83.08619	13.0
85.02879	1.9
85.06522	1.3
91.05477	17.5
92.76429	0.7
93.07042	64.7
94.07367	0.9
95.04414	1.0
95.04971	11.9
95.08601	72.8
96.08918	1.5
97.02874	5.3
97.06528	6.9
97.10140	2.8
99.04459	5.2
103.05422	0.8
105.04476	2.3
105.06365	1.0
105.07027	16.6
107.04376	0.9
107.04963	10.4
107.08586	43.3
108.08901	0.8
109.06482	2.8
109.10153	14.8
111.04391	2.5
111.08042	2.4
113.05989	1.1
115.05418	0.8
117.07003	13.4
119.07746	1.1
119.08572	18.0
121.05756	0.6
121.06524	7.9
121.10137	27.5
123.08071	1.1
123.11678	3.2
125.05973	3.1
129.06999	1.1
130.07742	2.0
131.08571	6.8
133.10129	7.7
135.08080	3.3
135.11685	70.8
137.13301	1.2
139.07507	2.1
143.08557	1.5
145.06516	0.8
145.10115	37.7
147.11696	2.4
149.13249	3.8
153.12741	1.0
159.11688	2.0
161.13190	2.7
163.11174	83.2
163.14804	1.8
164.11447	1.0
173.09575	0.8
173.13232	2.2
173.91162	0.6
175.14764	1.0
177.16399	0.6
178.78569	0.7
181.12218	12.9
187.14838	1.3
201.16374	0.8
209.11786	1.8
227.12767	89.4
227.52121	0.7
228.13135	1.6
243.21100	2.7
261.22134	9.1
283.15387	100.0
284.15884	2.1
303.76572	0.8
317.24710	1.9
335.25781	97.1
336.26031	3.2
418.79694	0.7
543.36786	92.0
544.37170	4.0
561.37988	1.1
740.40802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01867	6.1
55.05513	7.8
57.03434	4.5
57.07063	0.9
61.02908	0.9
65.03927	1.5
67.05503	23.8
69.03439	0.9
69.07066	15.8
69.47939	2.0
71.04996	1.8
73.02922	0.5
73.26080	0.4
77.03912	0.6
79.05492	16.2
81.03423	2.8
81.07055	36.0
83.04977	3.7
83.08619	5.7
85.02932	0.7
85.06557	1.3
91.05476	20.2
92.05850	0.4
93.07041	23.8
95.01324	3.7
95.04955	4.9
95.08603	14.2
95.09216	0.7
97.02907	0.9
97.06530	13.7
97.10182	1.2
99.08086	1.0
103.05526	0.6
105.04545	1.0
105.07024	29.5
107.04949	5.9
107.08590	12.3
109.06521	1.9
109.10161	3.0
111.04408	0.4
111.08066	2.4
113.09641	0.9
115.05470	1.0
117.07020	6.3
119.08584	14.9
121.06530	1.6
121.10134	7.0
123.04419	1.1
123.08066	1.7
123.11694	0.7
125.09652	0.7
129.07007	1.7
131.08562	10.0
133.10127	18.5
134.10513	0.5
135.08081	1.0
135.11682	3.7
137.09598	1.1
137.78981	0.4
141.06981	0.8
143.08585	1.5
145.06474	0.9
145.10107	6.4
147.11693	6.4
149.09645	3.5
149.13246	8.5
151.11237	0.7
155.08517	1.1
157.10181	1.3
158.79305	0.5
159.11684	6.5
161.13214	2.2
162.50427	0.5
163.11221	1.7
165.09090	0.9
165.12732	0.7
169.10190	1.1
171.11749	1.4
173.13295	1.1
175.11160	0.4
177.12717	2.8
179.14311	5.0
183.11729	0.9
187.11203	1.4
195.13788	2.1
197.13319	0.7
205.12160	0.5
219.13638	0.4
219.17603	0.5
239.17918	0.8
247.20645	1.0
251.16451	1.2
257.18973	2.3
269.17468	27.1
270.17850	0.8
275.20059	29.3
276.20331	0.6
279.16003	1.5
289.19260	0.4
293.21127	1.3
349.23685	10.4
498.27856	0.4
525.36011	1.4
543.36798	100.0
544.37134	5.8
561.37744	2.0
740.42572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01882	1.0
55.05509	3.6
57.03435	3.3
57.07076	1.0
61.02925	5.6
67.05508	9.3
68.05804	0.8
69.03421	2.7
69.07065	4.5
70.41055	0.5
71.04995	0.7
71.08626	0.6
73.02924	3.2
79.05491	7.0
81.03406	3.1
81.07061	9.3
83.04975	1.2
83.08607	2.5
85.02915	4.8
87.04488	0.6
88.07590	0.7
91.03971	3.3
91.05484	4.8
93.07045	8.5
95.04965	1.9
95.08596	7.8
97.02902	4.8
97.06555	1.7
97.10179	1.3
99.04446	1.3
101.02377	1.3
103.03973	0.7
105.07008	3.3
107.04969	0.9
107.08585	4.8
109.02883	0.8
109.06512	0.7
109.10168	2.1
111.11681	0.5
115.03895	0.6
117.07063	1.5
119.08622	2.5
121.06499	0.9
121.10127	4.5
123.11759	0.8
127.03932	1.5
129.05533	0.6
129.07024	1.0
131.08592	2.0
133.10141	2.6
135.08092	0.7
135.11679	5.0
135.12558	0.6
139.11147	0.7
145.10123	3.0
147.11761	1.3
149.02437	0.8
149.09641	1.6
149.13274	1.1
154.92653	0.6
155.08588	0.6
157.10184	1.0
160.44379	0.5
163.11160	4.6
179.12727	0.6
181.12186	0.9
191.10822	0.6
193.05064	0.6
193.12277	1.3
211.13452	1.0
227.12759	5.4
243.08565	2.4
251.12543	0.9
256.01746	0.5
257.18695	0.5
261.22360	0.7
267.16013	1.5
269.13672	1.6
269.17603	1.0
275.20154	1.0
276.20551	1.0
283.15353	6.0
285.17123	0.6
285.96445	0.5
311.25931	1.2
335.25735	6.2
350.24219	0.7
443.18875	3.5
469.20599	2.1
487.21509	4.3
495.29141	7.1
527.37158	1.1
543.36707	5.4
544.37262	5.1
545.38458	2.3
567.31104	0.9
697.41730	2.2
723.42743	2.0
741.43927	100.0
742.44019	7.7
755.79132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	1.6
55.01781	2.5
55.05420	8.9
55.05711	1.9
57.03341	7.8
57.03652	1.8
65.03864	1.1
66.98443	0.7
67.05400	13.3
67.05787	1.7
68.59808	0.6
69.03320	3.6
69.06961	3.9
69.16792	2.2
69.17200	2.0
71.04890	3.4
71.14230	0.6
77.03854	0.8
79.05379	17.7
79.05882	1.9
81.03304	38.5
81.03825	4.2
81.06942	15.3
81.07455	1.3
83.04874	4.7
83.08506	11.4
83.09033	1.0
85.02803	1.3
85.06461	1.5
87.49342	0.7
91.05357	13.1
93.06924	14.6
93.07561	1.2
95.04841	17.7
95.08475	7.7
97.02815	1.1
97.06403	3.5
97.10040	11.5
98.22738	1.9
101.56763	0.7
103.05393	0.9
105.06906	10.4
107.04949	11.9
107.08457	10.8
109.06385	13.4
109.10137	4.6
111.00737	0.7
111.04300	2.1
111.08083	3.8
115.05345	0.8
117.07020	3.5
119.04867	1.3
119.08569	9.1
121.06507	10.7
121.10132	10.3
123.04292	1.5
123.07914	3.5
123.11588	1.0
125.05888	0.9
125.09624	13.1
129.06990	5.8
129.55312	0.6
131.04865	1.0
131.08572	9.8
133.06480	3.8
133.10126	4.5
135.08067	5.7
135.11552	1.9
137.05800	0.8
137.09529	1.4
139.11015	2.5
141.06914	1.5
142.07697	1.1
143.08411	2.4
145.06487	4.5
145.10129	4.4
147.04343	0.9
147.08066	4.4
147.11667	6.4
149.09592	6.0
153.01727	0.7
153.08932	3.0
153.12631	1.6
155.08417	1.6
157.06342	2.3
157.10146	6.3
159.07964	1.5
159.11516	2.4
161.05849	1.4
161.09454	2.1
163.11188	5.6
165.12697	1.6
167.10597	1.3
169.09993	1.1
171.07916	1.6
171.10091	1.2
171.11530	1.7
173.09525	1.6
173.13109	3.0
175.11159	6.9
183.11584	1.2
185.11592	1.6
185.13115	1.6
187.11099	1.5
187.14751	1.6
189.11089	6.3
189.12683	1.7
191.10530	1.1
191.14168	3.0
193.12233	14.9
195.11578	0.9
195.13507	0.9
197.13072	0.7
199.11209	1.3
199.13089	0.8
201.12643	1.3
203.14200	0.8
205.12111	1.6
211.13159	2.9
213.12688	0.8
213.81914	0.8
215.14207	1.8
217.12183	0.9
219.13780	10.9
223.13121	1.7
225.12660	0.9
227.12587	1.5
231.13651	1.4
233.15288	4.3
235.13159	1.5
237.14694	1.0
241.12036	1.1
241.14233	1.2
245.15273	0.8
249.14642	1.4
255.13631	2.2
259.13022	1.0
259.15384	6.2
267.15900	40.8
268.16202	1.8
273.14716	6.5
273.17227	0.9
275.16397	1.1
283.15302	1.0
287.16382	1.1
291.16174	0.9
293.17493	6.5
298.85947	0.9
317.16177	0.8
321.22107	0.9
339.23267	1.3
349.21631	4.4
357.24167	3.0
367.22626	13.1
385.18912	1.5
385.23685	20.8
386.23743	1.0
403.24713	8.4
432.57922	0.9
433.25861	1.6
441.26233	9.1
451.26993	4.9
459.27377	95.8
460.27554	5.1
477.28461	100.0
478.28778	5.6
491.30142	9.9
495.29572	10.2
501.28662	3.1
509.31699	4.6
555.29712	1.2
567.29462	2.3
585.30530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01866	9.4
55.05513	17.4
57.03429	11.5
59.90107	1.9
61.02949	1.8
65.03947	2.6
66.03503	1.7
67.05506	74.9
67.05872	3.8
69.03424	4.4
69.07071	18.7
69.14832	5.1
69.15240	8.0
71.01373	2.2
71.05006	5.8
79.05490	44.7
81.03418	10.9
81.07057	62.1
83.04978	17.1
83.08630	7.7
85.02911	2.6
85.06544	4.2
91.05479	52.1
93.07046	60.6
95.04973	13.4
95.08599	19.0
97.02851	2.2
97.06516	13.6
97.10186	7.4
99.08103	2.4
103.05477	2.5
105.04513	2.3
105.07025	42.6
107.04967	7.7
107.08602	47.1
109.06516	6.1
109.10160	49.4
111.08086	2.7
113.06065	2.1
117.07026	9.9
119.08579	14.2
121.06514	8.8
121.10169	11.3
123.08087	5.5
123.11713	8.1
125.00013	2.3
125.09599	2.3
129.07011	4.0
131.08582	8.4
133.06496	5.3
133.10133	67.4
134.10503	2.1
135.08069	7.4
135.11702	39.3
137.09605	3.4
141.06984	2.5
141.34688	1.8
143.08563	4.3
145.10136	12.4
146.42572	2.3
147.08058	4.8
147.11739	6.1
149.09628	9.0
149.13199	2.2
151.11182	26.6
153.12762	3.2
157.10155	4.6
159.11781	2.5
161.09631	6.4
163.11226	5.3
165.32034	1.8
169.12250	5.2
171.11714	3.4
177.09105	2.9
181.12273	8.5
181.18546	2.6
184.07417	5.1
185.13237	2.4
215.12791	2.6
245.19005	3.5
251.12854	2.7
253.14363	100.0
254.14571	2.5
255.15849	53.6
255.18248	3.2
263.20047	2.2
269.17566	2.2
273.18491	20.3
275.20172	3.5
283.15530	2.2
291.19510	27.4
309.20557	2.3
347.22235	9.2
365.23169	22.5
449.25455	3.3
451.26920	46.6
452.27280	3.3
510.70227	2.2
513.33514	2.2
527.33588	15.0
545.34686	90.2
546.34796	3.8
551.06549	2.1
626.61041	2.1
759.74951	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.0
57.03433	9.7
67.05504	39.8
69.03421	4.0
69.07061	14.5
70.94122	4.7
71.02750	2.8
71.05001	4.7
72.38164	2.7
73.98457	3.1
76.04745	3.5
78.81194	3.6
79.05498	34.8
81.03407	29.9
81.07053	42.3
83.04972	8.7
83.08612	11.6
85.02898	13.5
91.05470	22.0
93.07047	32.4
95.04965	13.0
95.08598	26.5
97.02888	6.2
105.07022	21.6
107.04931	8.0
107.08584	12.4
109.10149	9.3
117.07012	5.8
118.07729	3.6
119.08566	13.5
121.10119	16.8
123.11681	4.1
131.08575	10.7
132.63409	3.2
133.10146	9.7
135.11687	6.4
137.09576	4.4
145.10080	4.8
147.11699	10.6
149.09599	4.5
149.13319	5.9
153.72765	3.1
157.10158	4.1
165.12656	3.5
172.78380	3.4
173.13338	5.3
175.11209	5.7
179.14276	4.1
184.07315	3.2
193.12231	23.1
195.13831	3.1
211.13263	35.8
243.20914	3.6
247.42245	3.4
249.15115	3.4
261.22198	8.7
267.15842	11.4
269.17664	3.7
285.16913	40.7
335.25793	60.7
357.64685	3.3
527.37183	10.0
545.38354	100.0
546.38605	6.9
553.40204	3.6
627.64526	3.9
743.43744	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01869	1.8
55.05259	0.9
55.05511	11.8
57.03180	0.9
57.03434	8.7
59.04979	0.7
61.02925	1.6
65.03932	2.2
67.05503	28.2
69.03426	2.9
69.07069	7.7
70.93006	0.9
71.04991	2.2
72.46921	0.6
79.05492	23.5
81.03415	36.0
81.07055	30.0
82.07364	0.7
83.04977	8.2
83.08621	16.0
85.02908	13.0
85.06546	1.8
91.03960	0.6
91.05481	19.6
93.07047	21.0
95.04970	16.2
95.08604	20.0
96.08932	0.6
97.02891	3.2
97.06525	2.8
97.10183	3.5
99.08076	1.1
105.07032	13.1
107.04959	3.3
107.08585	12.9
108.08992	0.8
109.06514	2.5
109.10148	6.6
111.04462	1.2
111.08067	8.4
113.06010	1.0
115.05444	0.8
117.07037	2.6
119.08572	12.4
121.06499	1.5
121.10140	11.2
122.78265	0.6
123.08059	1.3
123.11684	3.5
125.09647	1.1
127.03931	0.7
129.07002	5.9
131.08568	9.5
133.06499	1.4
133.10133	7.7
133.11060	1.0
135.08081	0.6
135.11673	6.4
136.12022	1.0
137.09605	0.9
142.07831	1.2
145.10118	3.7
147.08040	1.3
147.11679	9.5
149.09608	3.8
149.13266	2.2
151.11095	0.7
157.10114	8.7
159.11742	1.5
161.13274	1.5
163.11177	1.6
163.14857	1.5
164.11475	0.8
165.12778	2.1
173.13300	1.4
175.11214	8.6
175.14857	0.8
193.12236	26.2
194.12613	0.7
211.13281	44.0
212.13651	1.4
218.91924	0.6
227.12831	2.0
228.13089	1.0
243.21169	1.4
261.22156	5.8
267.15909	8.3
269.17279	0.8
279.23239	0.9
283.15549	1.1
284.15839	1.0
285.16949	43.9
286.17203	1.5
317.24689	0.8
335.25803	44.3
336.26126	3.5
337.26642	1.0
411.61557	0.7
435.32687	1.0
453.33832	1.8
527.37451	7.7
545.38342	100.0
546.38550	6.9
550.37677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48304	3.7
55.01872	4.9
55.05513	27.3
57.03445	15.5
58.21084	3.0
65.03940	2.8
67.05505	59.2
69.03419	4.4
69.07057	14.5
69.33668	5.8
69.34073	9.3
71.04974	6.1
73.43071	2.8
79.05489	45.8
81.03413	54.6
81.07050	52.9
83.04969	12.4
83.08628	21.7
85.02905	23.1
85.06535	3.2
91.05471	39.6
93.07043	46.5
95.04954	25.3
95.08606	30.4
97.02923	3.5
97.06497	4.3
97.10143	5.9
98.22684	5.4
98.40420	3.1
105.07036	29.7
107.04924	4.9
107.08575	24.1
109.06497	6.0
109.10151	12.3
111.08081	11.5
117.07018	5.7
119.08566	24.9
121.10123	20.4
123.11691	6.6
129.06985	12.5
131.08542	16.6
133.10133	17.7
135.11667	8.4
137.09618	4.1
137.13214	3.8
140.78889	3.1
145.10088	5.0
147.11626	17.5
149.09602	6.2
149.13242	6.7
157.10114	12.2
161.13219	2.8
167.06946	3.3
175.11171	12.3
187.14833	4.2
193.12233	37.5
211.13281	66.5
261.22189	7.6
267.15945	11.3
285.16934	73.0
335.25781	68.0
336.25906	4.9
435.32834	3.6
453.33716	4.7
467.50983	3.2
527.36951	11.8
545.38318	100.0
546.38428	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	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01841	1.5
55.05510	12.1
57.03438	6.3
57.07077	2.6
61.02893	1.3
65.03902	1.3
66.93015	0.4
67.05502	31.7
68.05815	0.5
69.03380	1.3
69.07066	15.2
69.29853	2.2
71.04952	1.6
71.08608	1.0
73.02866	1.2
73.03249	0.4
79.05490	18.7
80.51386	0.4
81.03411	1.9
81.07054	34.3
82.07360	0.5
83.04973	2.8
83.08612	10.1
84.36157	0.4
84.49918	0.4
85.02861	1.4
85.06527	1.1
85.10137	0.7
91.03933	0.9
91.04967	0.6
91.05476	10.0
93.07044	24.5
95.04966	5.7
95.08602	35.8
96.08892	0.8
97.02880	2.7
97.06516	3.6
97.10168	3.0
98.22722	1.0
99.04453	2.0
99.08054	0.6
105.04510	0.6
105.07030	7.7
107.04973	4.1
107.08590	16.9
109.06546	2.1
109.10155	9.8
111.08039	1.5
113.05981	0.6
117.07008	4.2
119.08575	7.0
121.06538	2.8
121.10147	9.3
123.08054	0.8
123.11705	4.1
125.05936	1.3
125.09525	0.7
129.06938	0.6
130.07729	0.5
131.08543	1.8
133.10120	5.8
135.08011	1.4
135.11685	25.2
136.12039	0.7
137.13229	1.4
139.07481	1.0
145.10121	14.7
146.10352	0.5
147.11673	2.6
149.13208	1.5
153.12721	0.7
157.10092	1.1
159.11703	0.7
161.13263	1.1
163.11174	30.5
163.14764	1.0
173.13269	0.5
175.14793	1.4
181.12236	4.5
193.12189	1.1
211.13281	0.9
221.00420	0.4
227.12767	36.6
228.13081	1.0
245.22673	0.9
261.22049	1.3
263.23700	2.3
267.15851	0.9
283.15384	53.3
284.15762	1.4
285.16940	7.4
328.32843	0.4
335.25781	10.0
335.29584	0.7
336.26218	0.9
337.27347	100.0
338.27777	5.3
435.94357	0.5
503.37247	0.8
509.43375	0.5
527.37750	0.7
528.77216	0.4
545.38348	99.1
546.38733	7.4
563.38788	0.5
598.76398	0.5
620.89172	0.5
742.44147	3.1
743.45660	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01884	2.9
55.05515	22.1
57.03440	14.1
57.07074	3.8
61.02927	5.0
64.54089	1.1
65.03944	1.4
67.05505	63.9
69.03431	3.3
69.07069	23.0
69.64890	1.2
70.68891	2.1
71.01347	1.2
71.05000	4.4
73.02917	2.8
74.03577	1.1
79.05497	41.8
81.03413	6.7
81.07058	65.1
81.73701	1.3
82.07392	2.7
83.04989	5.5
83.08622	15.5
85.02902	6.1
85.06541	3.2
91.03960	2.0
91.05485	29.2
93.06447	2.4
93.07050	49.5
95.04974	13.6
95.08606	53.5
97.02882	4.2
97.06516	7.7
97.10166	4.3
99.04454	4.1
99.08061	2.5
103.57619	1.2
105.07037	21.1
107.04958	4.5
107.08590	27.2
109.06516	4.7
109.10166	15.5
111.04430	1.3
111.08058	3.3
113.06001	1.3
117.07010	8.7
119.08585	18.0
121.06497	5.1
121.10148	20.8
123.08063	1.5
123.11700	5.3
125.05996	1.8
129.06992	4.3
131.08600	7.0
133.10130	13.4
135.08104	1.4
135.11699	37.4
137.13240	1.9
145.10135	19.4
147.11713	7.4
149.09610	1.6
149.13268	4.5
150.66295	1.2
151.11212	1.4
157.10127	3.8
159.11693	3.5
161.13266	1.6
163.11180	36.4
163.14885	1.7
165.12747	1.8
173.13199	2.1
175.11169	4.1
181.12257	5.2
193.12265	4.0
211.13333	3.4
223.87880	1.3
227.12791	37.9
242.87254	1.2
243.20984	3.1
261.22092	6.8
263.23703	2.3
267.15894	5.1
283.15396	64.9
284.15872	2.2
285.16971	34.9
335.25809	42.3
336.26151	2.2
337.27383	66.5
338.27948	2.9
503.37241	4.7
527.37238	4.9
545.38367	100.0
546.38910	6.0
552.04138	1.3
563.39240	1.6
742.44312	14.6
743.44861	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.2
55.05509	10.9
57.03429	3.8
57.07076	2.5
59.05003	1.0
61.02921	2.7
63.85495	0.9
65.23197	0.9
67.05505	15.8
68.99778	2.3
69.03424	17.5
69.03795	0.9
69.07066	24.7
69.07446	1.4
71.04996	3.7
73.02917	2.7
73.45927	0.8
79.05492	8.0
80.04725	0.9
81.03414	18.5
81.07056	28.5
83.01354	3.0
83.04996	2.4
83.08627	6.6
85.02900	22.5
85.06557	3.3
87.00826	10.6
87.04456	1.6
91.05476	7.1
93.07034	11.4
95.04985	5.0
95.08605	23.1
97.02888	10.6
97.06560	2.8
97.10188	2.6
99.00811	8.1
99.04443	8.6
99.08113	1.4
103.03935	1.3
105.01882	3.9
105.04622	1.0
105.07057	3.5
107.04948	5.5
107.08590	9.8
109.02870	13.3
109.06535	2.3
109.10152	14.4
111.08146	1.3
111.11768	2.1
113.02390	2.1
117.01880	2.3
117.07044	2.6
119.04934	1.2
119.08591	3.2
121.02807	0.8
121.06540	1.9
121.10130	5.8
123.11724	4.4
125.05949	1.3
125.09640	2.1
127.03925	12.8
129.01910	2.1
131.08569	2.6
133.06496	1.1
133.10156	3.0
135.04449	1.7
135.08122	1.4
135.11697	5.0
137.06023	3.3
137.13266	1.7
139.07552	1.4
143.08690	1.0
145.04980	2.9
145.10147	3.0
147.02884	1.7
147.11700	2.5
149.05977	1.7
149.09666	1.6
149.13287	3.5
151.07585	3.6
153.05504	4.0
155.07042	2.4
159.02937	4.1
159.08170	1.3
161.06073	1.6
163.03967	2.9
163.07594	3.6
163.11186	1.4
163.14758	1.3
165.09163	2.5
169.04994	1.1
171.08148	1.2
175.07597	3.5
175.11284	1.2
177.05475	6.0
177.09161	2.5
179.07062	1.0
179.10683	1.8
181.04945	16.7
182.05348	1.0
183.06557	7.2
184.07375	1.9
189.09119	10.8
191.07077	1.9
191.10767	1.7
192.11143	0.9
193.12318	2.6
195.06523	42.7
203.10716	2.8
205.08618	1.5
205.12221	1.3
207.06590	3.2
209.08080	19.6
209.11789	1.5
215.10854	1.1
217.12257	1.6
221.08116	3.3
221.11560	1.2
223.09650	30.8
223.11749	1.5
224.09927	1.0
229.14418	2.1
231.14041	1.0
235.09756	3.0
237.11203	27.5
249.11200	12.2
249.13554	1.3
251.12881	6.3
261.11331	2.9
263.12848	2.2
265.14474	2.7
267.15884	1.5
269.97269	1.0
273.18384	1.0
275.12872	2.2
277.14508	1.0
279.16037	1.8
283.15311	1.7
289.14487	1.7
291.15833	4.8
293.17545	3.5
303.16028	2.5
305.17407	4.4
307.19067	9.7
317.17441	13.7
319.19073	4.0
321.20660	2.1
335.18549	10.2
361.23825	1.2
375.25369	1.3
383.16827	6.2
409.72971	1.1
409.79370	1.0
441.30057	1.7
459.31116	33.1
477.32114	94.8
478.32767	4.2
492.27063	1.0
493.27725	1.4
495.33157	100.0
496.33478	4.9
510.28210	1.3
657.38721	3.5
699.39673	1.3
707.36719	2.3
725.37195	8.6
743.38464	47.7
744.38751	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	743.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	1.7
55.02073	0.6
55.05422	4.3
55.05709	1.0
57.03343	1.8
57.06990	1.1
59.04926	0.5
61.02857	0.8
65.03865	0.5
67.05402	4.3
67.61620	0.4
68.51293	0.4
68.99696	1.0
69.03323	8.4
69.03738	1.1
69.06963	14.4
69.07385	2.2
69.20448	0.8
69.20843	1.5
71.04892	1.3
71.05254	0.4
73.02826	0.9
79.05375	3.1
81.03302	8.3
81.03825	1.0
81.06944	9.5
81.07474	1.2
82.07318	0.5
82.30365	0.4
83.01239	1.1
83.04881	0.9
83.08508	3.4
85.02789	9.8
85.03341	1.1
85.06431	1.4
85.33473	0.3
87.00713	4.3
87.04366	0.5
91.05364	2.9
93.06924	5.6
95.01228	0.6
95.04853	1.7
95.08489	8.4
95.09135	0.8
96.05199	0.4
97.02767	4.0
97.06413	2.3
97.10044	1.3
98.22754	0.6
99.00691	3.8
99.04337	4.3
99.08014	0.4
103.03844	0.5
105.01745	1.8
105.06908	2.1
107.04858	0.8
107.08577	5.1
109.02750	5.8
109.03538	0.6
109.06412	1.0
109.10023	4.2
111.04355	0.7
111.07948	1.4
111.11586	1.4
113.02254	0.9
114.42144	0.5
117.01712	1.2
117.06911	0.8
119.08432	1.5
121.10151	3.1
123.04333	0.5
123.07871	0.4
123.11697	2.2
125.05920	0.9
125.09528	1.0
127.03922	7.8
129.01700	0.7
129.06944	0.5
131.08475	0.8
132.81523	0.4
133.10043	1.1
135.07936	1.1
135.11668	2.6
137.05963	1.9
137.09476	0.4
137.13197	0.5
139.07394	1.2
139.11044	0.9
143.08449	0.6
145.04817	1.4
145.10004	1.1
147.02713	0.5
147.11586	1.1
149.05914	0.6
149.09460	1.2
149.13121	1.5
151.07538	1.9
153.05319	1.5
153.12654	0.6
155.06889	1.2
155.08357	0.4
157.09949	0.4
159.02736	1.8
161.05814	0.5
161.09451	0.5
163.03827	1.1
163.07382	1.3
163.11061	1.0
165.09055	1.0
167.14217	0.4
173.09348	0.6
175.07376	1.5
177.05347	1.3
177.09064	2.1
179.10536	0.9
181.04959	9.1
183.06491	2.8
184.07350	1.0
189.09116	2.8
189.10741	0.6
191.06924	1.3
191.10555	1.1
193.12231	2.0
195.06525	18.9
203.10608	1.2
205.08601	0.7
207.06441	0.8
207.13779	0.6
209.08095	8.9
209.11421	0.5
211.13348	0.5
217.12270	0.5
221.07932	0.8
223.09654	13.3
224.09937	0.6
229.14246	0.8
231.04887	0.8
235.09534	1.5
237.08939	0.7
237.11212	11.7
249.11205	4.3
251.12753	5.3
261.11252	0.5
263.12701	2.4
265.14352	2.2
267.15918	0.9
275.12689	0.5
277.14282	0.6
279.15848	0.5
283.15259	1.1
291.15829	1.1
293.17435	2.5
305.17389	1.8
307.18924	1.2
317.17551	2.2
319.19141	1.8
321.20514	2.6
329.17465	0.5
331.18875	0.9
333.20389	0.6
349.23605	0.6
359.22125	0.5
389.23187	0.5
415.32346	0.9
441.29990	1.4
459.31039	22.7
476.30994	0.5
477.32120	100.0
478.32776	5.4
492.26724	0.5
493.28128	0.7
495.33179	7.1
510.27658	0.7
639.37335	1.1
657.38647	1.2
677.88348	0.5
707.36475	3.9
725.37360	13.8
726.38184	1.1
743.38513	14.1
744.38147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
57.03444	1.7
58.22472	0.6
61.02919	3.1
64.61755	0.6
67.05505	3.7
69.03432	3.0
69.07066	1.2
69.32948	2.3
73.02927	2.2
77.54641	0.8
79.05467	3.3
81.03415	1.5
81.07057	3.1
83.04998	0.9
83.08630	0.8
85.02896	3.3
85.06547	0.7
87.04420	0.8
91.03967	2.1
91.05476	3.5
93.07041	3.8
95.04962	1.4
95.08604	2.7
96.05717	0.7
97.02895	2.4
101.02400	1.3
105.07045	1.7
107.08635	2.3
119.08625	1.4
121.10181	1.0
139.29958	0.7
171.11690	1.2
243.08557	1.5
247.13101	0.9
465.20959	5.3
507.62888	0.8
519.28918	3.7
552.68799	0.9
705.26288	0.8
743.43353	100.0
744.43835	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	743.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
53.91987	0.2
54.32120	0.2
55.01880	0.7
55.05513	2.1
57.03434	2.6
57.07072	3.0
61.02926	5.3
67.05500	6.1
68.05859	0.7
69.03431	3.2
69.07065	2.3
69.57429	1.0
71.01363	0.5
71.04993	1.3
71.08630	2.7
73.02917	4.1
79.05492	3.8
80.05830	0.3
81.03422	5.1
81.07059	6.4
82.03765	0.2
82.07390	0.4
83.04994	1.0
83.08614	1.9
85.02905	6.7
85.06536	0.4
85.10166	1.3
87.04501	0.4
89.56746	0.2
91.03960	3.6
91.05476	3.8
92.05849	0.4
93.07048	3.8
94.07406	0.5
95.04983	2.0
95.08603	4.2
96.08957	0.7
97.02892	4.5
97.06541	0.9
97.10181	1.2
99.04482	1.1
101.02372	1.8
103.03932	0.6
105.07027	1.9
107.04946	0.5
107.08576	2.1
107.09134	0.2
108.08915	0.4
109.02911	0.7
109.06526	0.6
109.10165	2.1
111.04493	0.3
111.08083	0.5
115.03942	0.5
117.07045	0.5
119.08560	2.1
121.10137	3.4
123.11678	0.5
125.09649	0.3
127.03928	1.7
128.06328	0.3
129.05498	0.4
129.07033	0.9
131.08565	1.5
132.08920	0.4
133.10149	1.9
135.11697	0.7
139.11223	1.0
145.05019	0.3
145.10185	0.5
146.10529	0.3
147.11723	1.1
148.12073	0.3
149.09654	1.5
149.13174	0.3
157.10133	1.2
159.11722	0.3
161.43291	0.2
165.12817	0.5
167.10661	0.3
175.11253	0.8
183.06706	0.3
185.04297	0.9
193.12254	1.9
194.12611	0.6
203.05287	0.3
211.13287	1.4
212.13683	0.5
223.65683	0.3
225.10966	0.5
239.23756	0.5
243.08388	2.4
259.15601	0.3
261.22372	0.3
262.22592	0.4
267.16040	1.5
267.18414	0.3
268.16339	0.5
269.13721	1.6
285.17026	2.0
286.17166	1.2
310.74744	0.3
313.27371	1.6
325.16360	0.3
335.25677	2.1
336.26074	1.7
337.27084	0.3
436.32339	0.3
443.18900	7.0
444.19669	0.5
448.60272	0.3
469.20483	2.4
487.21518	7.7
497.30814	7.2
498.31555	0.3
528.37653	0.6
545.38513	1.0
546.38690	4.6
547.40002	0.7
563.39355	0.4
569.32831	0.3
699.43005	3.1
725.44373	1.4
743.45496	100.0
744.45654	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	744.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
54.68365	0.0
55.01865	0.1
55.05497	0.0
57.03437	0.0
60.05695	0.0
63.02358	0.0
67.05490	0.1
69.03465	0.0
69.07034	0.0
70.03142	0.1
77.03925	0.5
79.05486	1.0
81.03417	0.2
81.07038	0.0
85.02892	0.2
85.06537	0.1
91.05481	0.1
93.07017	0.1
95.04962	1.7
97.02889	0.1
98.23383	0.0
105.04508	0.7
105.06978	0.0
106.04173	0.0
107.04945	100.0
108.05269	1.6
109.10143	0.0
119.04855	0.0
123.04382	0.1
131.56529	0.0
145.04971	0.1
145.08609	0.1
163.06075	0.0
191.09157	0.1
193.12289	0.0
213.09084	1.9
214.09424	0.1
229.14171	0.0
267.15869	0.1
269.10181	0.0
297.13293	0.2
325.11057	0.0
383.22357	0.0
401.23111	0.0
475.26855	0.1
493.27911	0.1
511.29611	0.0
625.44617	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.3
53.03720	0.1
53.03937	0.9
55.01868	1.6
55.05507	1.2
57.03437	2.5
57.07076	1.6
61.02925	4.8
63.26960	0.2
65.03934	0.9
67.01842	0.3
68.99776	0.4
69.03425	11.0
69.07059	0.5
71.01347	0.5
71.04992	1.2
71.45383	0.2
73.02908	1.9
79.05481	0.3
81.03416	4.1
81.07037	0.4
83.01334	0.4
83.04975	0.5
85.02901	52.1
86.03237	0.5
87.04485	1.2
91.03948	2.4
93.03405	1.0
93.07046	0.3
95.08598	0.4
97.02889	14.1
97.10133	0.3
99.04453	2.3
101.02395	0.2
103.03941	2.1
107.04958	0.5
107.08592	0.3
109.02872	4.8
111.04434	2.1
113.02335	0.1
115.03913	0.7
117.07101	0.2
121.02856	1.8
121.10135	0.3
123.04431	1.0
125.02329	0.6
127.03911	14.2
128.04337	0.2
133.10181	0.2
135.04417	0.7
135.08040	0.2
135.11697	0.2
139.03893	100.0
140.04228	1.6
145.04950	27.7
146.05334	0.4
147.04414	0.2
149.05937	1.0
151.03883	0.5
151.07526	0.3
153.05469	0.7
155.03375	0.5
159.11714	0.2
162.07550	0.3
163.03984	2.1
163.06013	12.5
163.07439	0.6
164.06358	0.2
165.05501	0.3
169.04936	0.3
171.04311	0.2
175.03935	0.3
177.05408	1.3
177.12778	0.3
179.03430	0.6
180.08681	1.0
181.04886	0.9
181.07097	0.2
189.05492	0.2
191.03378	0.3
193.04916	0.6
204.08768	0.2
205.04961	2.2
205.12239	1.5
219.06516	0.2
221.08055	0.2
223.13283	8.4
224.13522	0.2
229.04846	0.3
233.04388	0.2
241.14328	45.4
242.14713	1.2
247.06033	0.7
251.12778	0.4
253.14342	1.6
261.14737	0.4
265.14313	1.4
271.08102	0.5
277.14316	0.7
281.13745	0.6
287.05438	0.4
289.09250	0.9
289.14246	0.5
297.13235	0.8
303.04907	0.6
303.15793	0.5
305.06531	0.2
307.15372	5.5
307.18909	0.3
319.15295	0.2
325.11218	2.6
331.15442	1.5
349.16446	2.4
367.17508	4.7
385.18344	0.5
403.19647	1.8
545.40057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06965	0.9
53.03942	2.4
54.76667	0.8
55.01866	4.7
55.05260	1.4
55.05510	17.1
55.61396	1.1
57.03436	18.0
57.04599	0.9
57.07069	2.0
57.42752	0.8
61.02923	2.7
65.03947	2.8
67.05502	60.1
69.03423	4.4
69.07065	19.6
71.01350	3.8
71.04985	5.0
73.02916	1.7
77.03914	1.3
79.05489	44.7
81.03416	9.6
81.07054	52.2
82.07378	1.0
82.66904	1.0
83.04977	11.5
83.05432	1.0
83.08612	8.8
85.02907	3.5
85.06541	4.2
91.03962	1.2
91.05479	30.4
93.07041	62.3
95.04968	9.5
95.08603	18.6
97.02918	2.0
97.06529	17.0
97.10167	8.5
97.70382	1.0
99.04469	2.2
99.08107	2.7
105.04530	2.6
105.07025	19.7
107.04962	4.1
107.08590	37.6
109.02905	1.2
109.06528	4.2
109.10149	8.2
111.08083	4.2
113.06062	0.9
113.09671	1.1
115.05431	0.9
117.07018	10.0
119.08577	15.9
121.06511	2.3
121.10133	12.6
123.08060	1.7
123.11747	2.6
125.09633	4.1
127.03874	1.5
129.07024	2.0
131.08568	10.7
133.10115	14.2
135.08063	3.1
135.11687	49.3
137.09615	3.3
143.08543	2.2
145.10115	14.2
147.11668	5.2
149.09608	6.9
149.13240	7.2
151.11186	2.6
153.12717	2.1
155.08574	1.5
157.10149	2.4
159.11725	8.1
161.13235	2.2
163.11186	8.7
169.10092	1.1
171.11707	1.8
173.04372	1.3
173.13297	3.2
175.11223	1.1
177.12743	2.3
179.14262	1.9
181.12206	9.4
184.07332	6.1
187.14938	1.1
195.13779	4.4
199.13344	1.8
227.12704	1.7
247.20410	1.3
253.14342	2.3
255.15907	64.3
256.16156	1.7
257.18997	3.3
267.15884	1.7
269.17496	15.5
271.21661	1.0
275.20074	14.4
293.20898	2.0
331.22546	1.0
349.23718	8.8
350.48447	0.9
367.24713	1.8
425.24915	1.9
431.28320	1.0
435.27429	20.5
436.27588	1.5
449.28973	100.0
450.29343	5.7
511.33881	1.7
529.35345	20.1
530.35962	1.0
547.36176	7.8
589.07996	1.1
593.32819	2.5
744.38501	1.3
745.38348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01869	10.5
55.05259	1.9
55.05507	27.1
57.03183	2.1
57.03437	20.8
57.07055	2.5
58.51131	1.3
61.02935	2.8
65.03934	3.6
67.05502	83.0
69.03427	6.5
69.07066	31.2
71.01340	4.8
71.04987	10.1
73.02913	1.9
77.03910	2.5
79.05489	73.7
80.05842	1.4
81.03410	11.1
81.07053	69.7
82.07368	1.4
83.04986	16.4
83.08626	12.8
85.02919	7.0
85.06544	5.6
86.09689	3.4
90.53884	1.2
91.03972	1.8
91.05475	46.7
93.07040	83.0
94.07344	1.8
95.04971	15.0
95.08600	27.7
97.02879	4.3
97.06528	24.1
97.10168	12.6
99.04454	2.3
99.08071	3.3
105.04510	2.5
105.07024	28.9
107.04941	8.4
107.08586	53.9
109.02885	2.4
109.06515	5.0
109.10159	12.8
111.08072	7.2
113.09647	1.7
115.05452	2.2
117.07016	16.7
119.08572	26.0
121.06483	6.1
121.10149	19.9
123.08063	5.0
123.11716	3.7
123.84755	1.1
124.99998	1.5
125.09655	6.0
127.03912	3.3
128.06219	1.5
129.05458	2.2
129.06999	4.0
130.07819	1.8
131.08571	14.2
133.10126	18.8
134.90063	1.4
135.08043	2.4
135.11684	59.2
136.12016	2.3
137.09586	4.4
143.08565	3.6
145.10120	21.6
147.11702	8.8
149.09612	14.2
149.13223	7.0
151.11180	3.1
153.12721	3.1
155.08589	1.5
157.10127	3.4
159.11691	10.6
161.09589	2.4
161.13225	4.1
163.11171	14.3
169.10057	2.9
171.11713	1.7
173.04430	1.4
173.13257	6.0
177.12750	4.2
179.14307	1.9
181.10536	1.6
181.12224	14.8
183.11626	2.1
184.07310	5.9
185.13319	2.0
187.11174	1.5
189.11185	3.1
195.13838	5.8
197.13260	3.2
199.13254	2.6
219.13812	1.8
226.26669	1.3
227.12779	7.7
229.19540	1.8
239.17969	2.3
247.20456	1.2
253.14313	2.6
255.15901	100.0
256.16208	3.9
257.18973	11.8
267.15836	1.5
269.17456	13.5
275.20065	30.5
276.20468	1.5
280.74072	1.4
293.21008	2.1
331.22635	2.3
349.23663	20.5
350.24106	1.3
367.24734	2.0
409.25723	2.0
425.25262	3.9
435.27441	27.8
436.27863	2.2
449.28961	99.2
450.29135	6.3
489.32343	1.6
501.35489	1.5
511.33807	1.7
529.35229	43.7
530.35303	4.0
547.36212	10.1
593.24365	1.3
593.32690	2.7
745.38733	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01880	2.5
55.05257	1.7
55.05513	23.4
55.34529	1.0
55.43802	0.9
56.01911	0.9
57.03181	1.6
57.03440	15.5
57.07079	4.8
59.25448	1.0
61.02930	8.3
65.03946	3.1
67.05506	57.0
68.05843	1.5
69.03439	4.7
69.07063	18.4
69.08256	7.1
71.01351	1.3
71.04992	5.4
71.08618	2.2
73.02924	4.7
79.05497	25.4
80.05839	1.4
81.03420	31.5
81.07059	58.7
82.07391	1.3
83.04994	8.3
83.08624	21.0
84.09007	1.2
85.02900	21.6
85.06538	1.8
85.10177	1.5
87.04498	1.5
91.03972	3.5
91.05481	24.3
92.90103	0.9
93.07050	23.6
93.07613	1.9
94.07395	1.8
95.04970	17.5
95.08605	38.0
96.08955	1.4
97.02892	6.3
97.06522	4.7
97.10152	7.8
98.22683	1.6
99.04466	1.8
99.08105	2.2
100.04864	1.1
101.02399	1.9
105.04583	1.1
105.07031	19.0
107.04980	3.9
107.08600	13.8
108.08958	1.1
109.06528	3.1
109.10157	18.1
109.73203	0.9
111.08083	5.3
113.06013	1.2
117.06982	1.6
119.08593	16.9
121.06486	1.6
121.10142	15.1
123.08153	2.1
123.11699	7.4
125.09662	1.1
127.03933	2.0
129.06993	5.3
131.08568	8.3
133.06526	1.3
133.10135	11.2
135.11713	4.6
137.09633	1.9
137.13313	2.3
139.11197	1.5
143.27768	1.2
145.10158	1.9
147.08075	2.2
147.11679	12.1
148.12097	1.0
149.09676	4.9
149.13228	2.6
157.10117	9.4
159.11667	1.6
161.13300	3.1
163.11334	1.0
163.14842	1.7
165.12750	2.1
175.11237	7.3
175.14825	1.4
184.07256	1.3
193.12244	24.8
211.13289	30.3
243.08557	1.8
263.23709	2.1
267.15894	12.6
268.16309	2.5
269.17450	2.1
285.16946	47.4
286.17343	3.2
287.18008	1.8
298.04620	1.0
335.25711	5.7
336.26306	3.7
337.27347	68.9
338.27679	2.1
349.97314	1.0
410.78925	1.2
443.18896	2.4
455.62021	1.1
469.20169	1.3
470.20718	1.7
487.21063	1.7
488.22336	2.4
489.35880	6.4
497.30698	2.0
498.31287	3.2
529.38867	14.7
546.38702	2.3
547.39899	100.0
548.40356	4.6
595.82587	1.0
600.09949	1.0
655.56232	1.1
700.43536	1.8
726.44910	1.1
743.46014	1.8
744.45856	74.5
745.41028	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01875	1.7
55.05514	15.4
57.03433	9.1
57.07080	2.9
59.04995	2.0
61.02929	5.3
65.03944	2.7
66.61780	0.9
67.05505	99.8
69.03439	3.7
69.07071	13.3
69.23913	3.8
71.04997	22.0
71.05399	1.3
73.02907	2.4
77.43172	1.2
79.05495	36.8
81.03423	6.7
81.07056	42.9
83.04979	4.5
83.08622	9.3
85.02898	6.3
85.06557	2.4
91.03990	2.6
91.05482	27.9
93.07044	42.6
95.04967	6.7
95.08606	33.3
97.02911	3.2
97.06533	4.5
97.10187	2.9
98.22669	1.3
99.08115	1.6
105.04559	1.8
105.07042	14.6
107.04977	1.2
107.08595	23.0
109.06557	2.1
109.10156	63.7
110.10497	1.3
111.08102	3.8
113.49045	1.0
117.06992	5.5
119.08585	17.6
121.06530	1.4
121.10146	18.4
121.10973	1.4
123.08091	1.3
123.11739	2.9
127.03909	1.4
129.07036	1.2
131.08577	8.9
133.10138	6.5
135.11690	13.4
137.09636	8.0
137.13277	0.9
139.11111	1.3
145.10135	6.3
147.11705	5.4
149.09601	1.8
149.13312	3.8
151.11317	1.1
155.10719	3.1
157.10147	1.1
159.11693	2.7
161.13312	2.0
163.11230	3.6
169.12320	0.9
173.11777	6.5
173.13278	2.1
175.11288	1.2
175.14845	1.1
181.12302	1.6
187.13338	1.2
187.14903	1.0
193.12199	1.8
199.88567	1.0
211.13380	3.1
213.14835	1.0
239.10480	0.9
243.15901	1.3
255.15820	4.4
261.22253	3.2
267.15997	3.0
269.22491	1.0
285.17056	3.9
287.18509	19.0
335.25812	27.5
336.26169	2.0
337.27316	6.9
470.20850	1.1
471.34903	2.4
489.35739	100.0
490.36234	4.8
498.31314	1.4
503.37531	2.7
515.37329	16.0
529.38910	1.9
533.38794	1.4
546.39319	0.9
547.39929	87.3
548.40375	5.9
697.57861	1.1
726.45020	1.5
744.45874	33.8
745.40338	4.4
765.87622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15976	0.6
55.01863	0.9
65.03947	1.5
67.05492	1.0
68.99790	5.5
81.03413	1.6
85.02868	0.7
91.05477	0.8
92.87219	0.6
95.04977	2.5
105.03366	0.7
105.04519	0.9
107.04941	1.2
109.02881	2.5
111.00807	8.1
111.04423	1.8
112.38757	0.6
117.03371	0.6
121.02851	1.5
123.04430	15.1
127.03918	38.3
128.67406	0.6
129.06996	0.6
131.04936	1.0
133.02866	2.0
135.04422	27.8
137.02373	0.7
139.03905	100.0
140.04253	1.8
145.06482	1.0
147.04399	4.4
149.02344	1.9
149.06007	0.9
151.03908	27.3
153.01825	2.0
153.05464	1.1
155.03391	3.7
157.06393	0.7
159.04399	1.2
161.05971	1.8
163.03920	14.4
165.05519	1.0
167.03400	2.6
171.04330	0.8
173.05972	0.9
175.03915	6.2
177.01799	0.9
177.05478	3.8
179.03397	21.7
179.07059	1.6
180.03836	0.6
181.04967	1.1
183.04439	0.9
185.06003	2.2
187.03842	1.2
189.05470	2.2
191.03404	4.9
191.07077	0.8
193.04976	2.9
197.06111	0.8
199.03906	2.5
201.05510	3.7
203.03391	12.2
205.04945	6.1
211.04088	0.7
213.05440	4.7
215.03365	0.7
216.03946	0.7
217.04979	3.1
219.06462	0.9
223.02336	1.3
227.03471	1.4
229.04976	4.0
231.06520	2.2
233.04430	2.2
241.05006	1.9
245.04507	8.7
247.06126	1.2
253.04955	0.7
255.06650	0.9
257.04453	9.7
259.06021	2.0
263.05502	13.8
269.04523	4.6
271.05939	3.4
273.07693	1.6
275.05490	6.1
277.07150	1.1
287.05505	31.6
288.05939	1.2
289.07065	44.7
290.07376	1.0
295.05783	0.6
299.05515	16.6
301.07123	1.5
303.05072	1.7
305.06586	6.1
311.05582	1.3
317.06555	11.2
323.05420	1.2
331.07919	1.7
341.06494	0.9
389.06580	1.0
395.07608	1.6
407.07700	7.9
409.09436	1.2
425.08694	24.0
426.09027	0.8
437.08701	3.4
443.09689	2.6
449.08670	2.1
455.09818	0.9
467.09738	2.0
575.11810	1.7
577.13116	1.0
593.12671	3.8
745.32568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
55.39671	0.4
56.96553	0.5
57.03442	1.2
59.40038	0.3
61.02931	0.9
67.05510	3.4
69.03437	1.1
69.07070	0.9
71.04987	1.0
73.02928	1.1
77.63387	0.4
79.05511	1.7
81.03030	0.4
81.03410	2.3
81.07058	3.3
82.07420	0.5
83.04971	0.5
83.08609	0.8
85.02934	1.6
85.06483	0.4
87.04485	0.4
91.03960	0.7
91.05482	2.0
93.07034	2.0
95.04974	1.6
95.08636	1.2
97.02911	1.6
97.06557	0.4
98.23483	0.7
98.97612	0.4
99.04464	0.5
101.02410	0.6
102.41380	0.5
105.07053	1.8
107.05009	0.9
107.08611	1.0
109.06507	1.1
109.10195	1.0
111.04438	0.6
111.08062	0.5
117.07020	0.6
119.08597	1.0
121.10160	1.0
123.11616	0.6
126.56850	0.4
127.03948	0.7
131.00192	0.8
131.08649	0.6
133.10147	1.2
135.11736	0.7
137.09685	0.6
141.02701	0.4
145.10120	0.5
147.11717	0.8
149.09631	0.7
158.99646	0.4
163.11253	0.6
172.91347	0.4
191.10721	0.4
193.12238	0.8
243.08511	0.7
251.91975	0.5
265.16162	0.5
267.09073	4.8
267.11768	0.5
267.15942	0.8
268.16339	0.6
283.15222	1.4
285.10068	3.3
293.05405	0.5
294.56848	0.4
305.13840	0.6
309.10074	0.5
413.18088	1.2
448.70959	0.4
461.28784	0.9
462.29333	1.5
467.18604	1.2
469.20221	0.5
479.29282	0.5
480.29797	0.9
485.16571	3.6
486.17682	0.5
501.23322	2.3
641.31323	2.8
677.29199	0.9
699.35370	0.8
722.28070	0.6
727.34729	1.7
745.34460	100.0
746.34839	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	745.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34156	0.4
55.01878	0.9
55.05511	1.0
57.03446	1.1
59.04989	0.4
59.91380	0.3
61.02920	3.6
67.05498	2.6
69.03123	0.4
69.03432	2.4
69.07077	0.7
70.73420	0.8
71.05003	1.0
73.02922	2.6
79.05489	2.0
81.03414	3.2
81.07049	2.8
83.04990	0.7
83.08626	1.0
85.02892	3.9
88.95990	0.4
91.03960	2.6
91.05470	2.1
93.06548	0.5
93.07015	2.1
95.04996	1.3
95.08620	1.0
97.02891	2.8
97.06523	0.5
99.04427	0.8
101.02410	1.2
105.07040	1.4
107.08624	1.3
108.66006	0.4
109.02898	0.7
109.06535	0.5
109.10211	1.2
111.08093	0.6
115.03944	0.4
117.05492	0.5
119.08608	1.2
121.10170	1.7
123.04220	0.5
123.11718	0.4
125.09621	0.5
127.03933	1.3
129.05519	1.1
129.07005	0.7
131.08618	0.9
133.10123	1.0
147.11699	0.8
149.09665	1.0
157.10141	0.7
177.99229	0.4
181.04753	0.4
185.04210	3.3
193.12296	1.6
199.05910	0.6
201.03766	0.6
203.05328	0.7
207.13664	0.6
211.13515	0.5
241.07079	0.5
243.08362	2.1
251.12637	0.9
259.07880	0.4
265.14133	0.6
267.09070	0.6
267.15961	0.8
283.15231	5.5
284.15585	0.8
285.09970	0.4
301.08914	9.6
309.16873	1.4
315.10577	2.7
323.18414	1.7
327.10733	0.7
339.17871	0.8
341.12119	0.9
357.15146	0.6
373.11084	3.5
381.18781	4.9
383.16946	1.3
385.18329	4.7
387.12698	1.0
395.20435	0.5
398.26019	0.5
399.19888	1.8
413.17996	1.6
413.80338	0.4
417.08615	0.4
427.19400	4.5
429.17300	1.1
439.19357	0.7
441.21152	0.5
443.19226	0.8
448.27917	1.0
457.20404	0.8
462.29581	1.0
465.28217	2.1
469.20505	2.7
471.22098	0.4
473.19592	0.4
483.22540	0.7
485.19507	0.8
499.21353	2.1
501.23141	13.8
502.23816	0.9
511.28830	1.2
516.22064	0.9
517.22498	0.7
529.22485	7.9
530.23242	0.8
543.23981	0.5
545.22168	1.1
573.25134	7.1
585.29218	1.4
587.26910	1.7
601.28235	2.4
606.08130	0.4
613.31879	1.6
615.29926	1.5
629.31946	0.7
641.31360	9.4
643.33136	3.8
644.32635	0.6
657.33636	0.5
673.34241	0.7
683.35559	0.6
685.33972	0.7
687.35919	1.0
699.35596	1.2
727.35107	2.9
740.55530	0.4
745.35760	100.0
746.36078	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	745.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01856	0.7
55.05509	1.7
57.03432	2.0
59.04993	0.8
61.02928	6.2
64.13265	0.5
65.03918	0.6
67.05175	0.6
67.05506	9.3
69.03426	3.8
69.07053	1.6
70.50178	1.0
71.04995	2.2
73.02917	4.4
79.05493	3.1
79.17128	0.5
81.03011	0.7
81.03422	5.6
81.07067	5.3
83.04980	1.2
83.08622	2.3
85.02910	7.8
85.06521	0.8
86.09267	0.5
87.04473	0.8
90.96019	0.5
91.03950	4.9
91.05474	4.8
93.07038	3.3
95.04987	2.3
95.08612	1.8
97.02887	6.6
97.06496	1.5
98.44906	0.5
99.04455	1.1
101.02360	1.9
103.03938	1.0
104.48426	0.5
105.07031	1.7
107.04977	1.2
107.08600	1.3
109.02896	1.4
109.06512	0.9
109.10165	7.7
111.08096	0.9
119.08568	3.4
121.06487	0.8
121.10143	2.1
123.08050	0.7
123.11679	0.7
127.03918	2.1
131.00227	0.7
131.08554	1.3
133.10135	1.5
135.11697	0.9
137.09654	0.7
138.73639	0.4
143.24947	0.5
145.04942	0.6
147.11659	1.3
149.09644	1.2
155.10704	1.2
157.10085	1.2
160.04388	0.5
163.11165	0.5
165.12653	0.6
173.11787	3.3
175.11113	1.4
185.04231	0.7
193.12268	2.4
195.09921	1.0
203.05318	1.0
229.14407	1.4
243.08385	3.4
251.12503	1.9
267.09064	1.0
267.15802	1.1
283.15097	1.4
285.17050	0.6
301.08804	0.9
375.90082	0.6
385.18137	0.6
413.17810	12.5
414.18176	1.0
427.19592	0.6
448.27869	1.2
462.29211	1.7
467.19098	0.6
469.14218	1.0
469.20444	12.5
471.22150	0.8
485.24103	1.2
501.23077	4.0
529.22675	0.6
585.29297	1.2
641.31427	100.0
642.31848	8.6
667.32318	0.6
673.34521	0.8
699.35596	2.5
727.34814	2.1
745.35425	58.7
746.35175	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	745.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01862	1.0
55.05506	2.4
57.03439	3.2
59.04987	0.8
61.02924	3.6
67.05502	6.8
68.05838	1.0
69.03425	2.9
69.07073	1.6
69.23499	0.5
69.87119	1.1
71.04999	2.8
73.02923	3.4
79.05495	4.0
81.03424	5.1
81.07058	6.3
82.07393	0.7
83.04984	1.4
83.08633	1.4
84.91777	0.5
85.02905	4.9
85.06551	1.1
89.88987	0.5
91.03960	2.5
91.05467	3.5
93.07037	3.2
95.04971	2.1
95.08604	1.8
95.81213	0.5
96.01091	0.5
96.05280	0.6
97.02908	3.7
97.06512	0.8
97.10158	0.9
99.04434	0.9
101.02387	1.5
101.08810	0.6
105.07035	2.3
106.54611	0.6
107.04934	1.2
107.08611	2.1
109.02871	0.8
109.06528	1.4
109.10156	3.1
110.10500	0.6
111.08067	1.2
117.07017	0.9
119.08595	2.2
121.06458	0.6
121.10140	1.7
125.09621	0.6
127.03952	1.6
129.05486	1.3
129.07063	1.2
131.08560	1.6
133.10156	2.6
135.08072	0.7
135.11707	1.0
145.05016	0.9
147.11716	1.4
149.09615	1.6
157.10124	1.2
173.11844	0.8
175.11182	1.0
185.04245	2.3
193.12273	1.4
195.09979	0.8
201.03769	1.0
207.13612	0.6
223.13289	0.7
243.08461	2.5
251.12682	1.1
265.14139	1.0
267.15952	1.5
268.16412	0.7
283.15134	7.5
285.10135	1.1
301.08926	8.9
315.10471	1.7
322.16641	0.6
323.18344	2.0
327.10443	0.7
339.17783	0.8
341.11987	0.8
373.11084	2.6
381.18808	3.5
383.17029	1.1
385.18256	4.0
387.12857	0.8
397.18240	0.7
399.19925	0.9
413.17786	5.0
427.19354	4.4
429.17059	0.8
439.19327	1.1
441.21185	1.4
443.18323	0.6
447.28198	0.6
448.28073	0.7
457.20224	0.9
461.28796	1.3
462.29245	4.1
465.28519	1.9
469.20477	4.3
479.34097	0.9
480.30084	0.8
483.22086	0.8
485.18164	0.7
499.21436	2.4
501.23141	11.6
511.28796	1.2
517.22394	1.3
529.22595	5.6
545.21411	0.6
573.25275	4.6
585.28381	3.5
587.26892	2.0
601.28131	1.8
613.31964	1.3
615.29657	1.1
629.31189	0.7
641.31433	18.5
642.32214	1.0
643.32611	3.5
683.36255	1.2
687.34894	0.9
699.35504	2.1
713.31824	0.7
727.34839	2.4
745.35425	100.0
746.35406	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	745.377
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38519	0.4
75.62648	0.4
80.07993	0.4
81.07059	0.6
83.12333	0.4
94.81338	0.3
98.97608	0.4
184.07393	0.5
220.75177	0.3
497.51721	0.4
501.20837	0.8
745.37622	100.0
746.37939	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	745.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00949	0.4
53.03948	0.8
55.01871	0.6
55.05500	0.5
57.03444	1.2
59.04987	0.4
61.02925	4.2
67.05511	2.2
69.03429	2.6
69.07064	0.8
71.04991	3.1
73.02912	2.4
79.05505	1.7
81.03418	3.0
81.07056	3.6
83.04970	0.8
83.08624	1.0
85.02908	3.7
85.06539	0.7
85.65482	0.4
87.04480	0.5
91.03952	2.7
91.05475	2.7
93.07054	1.7
95.04963	1.0
95.08620	1.1
95.51776	0.5
97.02898	2.6
97.06526	0.5
98.22736	1.1
99.04461	0.5
101.02381	1.2
103.03979	0.5
105.07042	1.2
107.08618	1.6
109.02882	0.8
109.06531	0.9
111.08054	0.6
119.08593	0.6
121.10147	1.6
123.11761	0.8
127.03915	1.0
131.08609	1.3
133.10155	1.5
147.11729	1.0
149.09654	1.5
149.13226	0.8
151.11180	1.0
157.10202	0.9
175.11273	1.2
193.12325	1.4
195.13828	0.5
243.06296	0.5
243.08322	2.3
243.15939	0.6
257.17596	0.9
267.15833	1.1
283.15140	2.8
323.18323	0.9
339.17981	0.6
358.22351	0.5
485.23599	8.3
496.00916	0.5
501.23050	11.7
508.30072	0.5
565.33484	0.6
583.34845	0.7
644.92566	0.6
745.39740	100.0
746.40063	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01892	0.3
55.05517	2.0
57.03435	1.8
61.02930	4.4
65.03925	0.3
67.05507	4.6
69.03431	2.3
69.07061	1.3
71.01360	0.5
71.04998	0.5
73.02918	3.7
77.03941	0.3
79.05487	3.9
81.03412	1.5
81.07059	5.1
83.04988	0.5
83.08621	1.2
85.02899	4.2
89.66801	0.2
91.03955	3.0
91.05508	1.6
93.07044	4.7
95.04973	0.8
95.08608	3.5
97.02883	4.2
97.61782	0.2
99.04470	1.1
101.02378	2.1
105.04547	0.3
105.07037	1.1
107.04959	0.4
107.08598	2.6
109.02894	0.4
109.10167	1.2
111.04444	0.3
117.07014	0.7
119.08571	1.4
121.06569	0.3
121.10153	1.7
123.11717	0.5
125.00038	0.3
127.03957	1.4
131.08607	0.4
133.10121	0.6
135.11693	3.6
145.10138	2.2
147.11766	0.3
150.34061	0.3
161.13329	0.4
163.11172	4.5
177.88220	0.3
181.12262	0.9
184.07399	0.4
185.04256	1.0
203.05360	0.5
219.09944	0.7
227.12759	3.9
243.08403	2.7
249.10980	11.2
249.13492	0.6
305.13522	2.9
335.25848	0.6
336.26489	0.4
456.81436	0.3
467.18906	13.3
467.25613	0.7
468.19489	0.6
519.29352	6.4
548.40125	0.5
583.36310	0.8
745.41272	100.0
746.41602	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01862	0.5
55.05518	0.9
57.03436	2.0
61.02928	4.0
67.05506	5.2
69.03433	2.8
69.07067	4.0
71.05016	0.5
73.02919	3.3
73.75740	0.3
75.04503	0.3
79.05491	3.8
81.03432	1.9
81.07059	6.9
83.04983	0.7
83.08601	1.6
85.02904	4.0
85.06549	0.5
85.20940	0.3
85.56322	0.3
86.98861	0.3
87.04483	0.3
91.03973	2.2
91.05476	3.7
93.07047	4.8
95.01337	0.4
95.04979	1.0
95.08622	2.6
97.02888	3.3
97.06554	1.6
99.04480	0.7
99.75312	0.3
101.02360	1.8
105.07015	3.2
107.04998	0.9
107.08591	2.8
109.02914	0.8
109.06521	0.4
109.10181	0.7
117.07015	1.8
119.08556	2.1
121.10180	1.3
127.03922	1.2
131.08577	1.9
133.10144	2.6
135.08086	0.6
135.11732	1.2
135.57275	0.3
145.10121	1.0
147.11757	0.9
149.09677	0.8
149.13260	2.6
159.11650	1.5
163.11243	0.4
168.35831	0.3
177.12782	0.9
179.14351	0.9
184.07433	0.5
185.04236	0.8
228.37709	0.3
235.12959	1.6
243.08414	3.3
269.17453	0.5
275.20123	0.5
285.18430	0.4
291.15732	0.5
304.89023	0.3
315.19318	4.8
371.22083	1.3
383.56570	0.3
453.20975	11.1
454.21252	0.5
465.21307	0.7
533.27228	8.0
576.00555	0.4
583.36945	0.4
745.41296	100.0
746.41632	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	745.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27865	1.1
57.03435	2.0
58.49669	1.2
59.00591	1.3
60.30365	1.2
61.02937	5.7
67.05516	5.4
69.03429	2.7
69.07072	1.3
73.02907	6.0
79.05492	2.2
81.03434	1.7
81.07085	4.2
85.02911	4.3
87.03972	1.1
91.03958	2.0
91.05489	2.8
93.07069	5.4
95.08635	4.0
97.02917	4.6
107.08599	4.2
109.10175	1.7
118.37347	1.2
119.08595	1.2
121.10165	4.4
133.10054	1.3
135.11705	2.2
184.07353	2.5
241.37256	1.4
243.08542	2.0
249.11006	11.9
266.90729	1.2
285.63538	1.3
288.04453	1.4
335.25885	1.5
342.91379	1.4
467.18811	6.6
519.29669	6.6
550.07153	1.5
745.41296	100.0
746.41626	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	746.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.01871	2.9
57.03425	2.1
61.02917	2.4
65.03945	0.9
68.99782	1.3
69.03436	4.8
70.66857	1.2
73.02904	0.9
79.05489	0.9
81.03411	1.8
81.07066	0.9
83.04991	0.7
85.02903	22.2
85.45638	0.6
91.03947	0.8
91.05499	2.9
93.03398	3.3
97.02889	6.1
99.04456	1.4
103.03951	1.0
105.07011	2.1
107.04955	1.9
109.02879	2.6
109.06515	1.8
111.04438	0.8
115.05450	6.6
117.07034	1.0
119.04933	4.4
123.04403	2.7
125.05991	2.4
127.03911	9.2
129.07053	0.5
133.06487	13.1
135.08031	3.0
137.05986	2.2
139.03882	6.2
139.07527	1.1
143.04907	5.0
145.04974	8.1
145.06480	17.6
147.04404	23.1
151.03920	1.2
151.07515	2.9
153.05557	1.4
155.03389	5.8
161.05974	18.7
162.07614	0.8
163.03903	100.0
163.06082	3.4
163.07545	15.9
164.04268	1.5
165.05475	26.8
166.05838	0.6
170.18820	0.6
179.03444	2.2
179.07034	21.2
181.04961	12.1
187.03896	1.6
187.07521	1.7
189.05464	4.1
193.04976	0.8
203.06987	1.4
205.04889	1.5
207.06520	50.2
208.06795	1.0
211.57526	0.6
221.08109	0.9
225.07576	91.5
226.07907	1.8
227.07097	1.0
231.06503	1.6
239.09192	0.9
240.06567	0.6
243.08641	70.1
244.08965	1.3
245.08000	0.6
247.05977	1.4
249.07576	4.1
263.05460	1.0
267.08594	3.5
273.07596	0.7
287.05380	1.2
291.08624	3.2
299.05377	0.7
302.43207	0.6
309.09656	5.8
315.08322	0.8
321.09937	0.8
325.11182	1.6
333.09732	4.7
351.10745	6.3
369.11749	2.5
387.13052	0.7
405.13651	1.4
425.08316	0.9
534.30786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1556
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
52.92096	0.4
53.00309	1.2
53.03960	0.6
55.01871	1.3
58.66880	0.3
65.03947	1.2
67.01878	0.4
68.99787	6.2
69.45185	1.1
74.15434	0.4
77.03951	0.5
81.03416	4.4
82.11662	0.4
93.03403	1.2
95.04953	1.1
98.77106	0.4
99.04485	1.0
105.03403	1.2
107.04976	1.0
109.02875	5.6
111.00799	6.7
111.04432	3.0
117.07001	0.4
119.04931	0.7
121.02879	2.2
123.03522	0.7
123.04433	17.2
127.03915	78.0
128.04250	1.4
129.07040	0.4
131.04935	1.0
133.02867	2.6
134.80151	0.4
135.04424	9.5
137.02344	13.5
137.03331	0.5
139.03900	100.0
140.04240	1.6
141.06998	0.8
145.06577	0.5
147.04402	5.3
149.02367	3.4
149.05971	1.2
150.03117	0.8
151.03903	41.4
152.04263	0.7
153.01808	7.6
153.02870	0.3
153.05411	0.6
155.03380	8.4
157.06476	1.1
159.04396	1.6
161.05989	1.5
163.03906	12.6
165.05466	1.1
167.03406	2.8
167.04601	0.4
169.06462	1.0
171.04430	1.1
173.05972	1.7
175.03915	9.4
177.01854	0.5
177.05505	4.3
179.03394	31.4
180.03706	0.8
181.04904	1.6
183.04393	0.8
185.05956	1.4
187.03922	1.3
189.05482	3.4
191.03386	7.8
193.05005	2.7
197.05956	1.2
199.03960	2.9
201.05460	5.2
203.03395	15.4
205.04955	4.7
211.03908	0.4
213.05484	4.8
215.03384	1.1
215.07018	0.9
217.04973	3.6
219.06468	1.3
223.02390	1.0
225.05400	1.0
227.03381	0.8
229.04941	5.3
231.06514	3.3
233.04356	3.1
241.04956	2.9
243.06548	1.1
245.04465	11.9
246.04826	0.5
247.06010	8.4
251.05408	0.9
253.04845	1.1
255.06490	0.5
257.04443	9.5
258.04819	0.7
259.05988	6.3
260.06122	0.4
261.07547	0.7
263.05524	17.4
269.04422	4.1
271.06006	6.3
275.02713	0.7
275.05484	9.3
277.07190	3.8
281.04379	1.1
283.05847	1.3
287.05502	39.2
288.05927	2.2
289.03998	0.7
289.07047	11.9
295.06009	0.8
299.05508	17.1
300.05878	0.6
301.07080	2.8
305.06558	15.0
306.06854	0.7
311.05161	0.9
317.06531	16.4
321.07370	0.5
323.05399	1.5
341.06561	0.6
361.06857	0.6
365.06772	0.5
389.06512	1.0
394.87143	0.4
395.07373	0.5
407.07657	6.7
409.09229	3.1
425.08652	19.6
426.08887	1.0
427.09875	1.5
437.08408	1.1
443.09851	5.5
467.09512	0.9
561.10175	0.6
575.11230	0.5
579.11176	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	747.1553
Annotation	Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
Peak:m/z	Relative Intensity
53.00311	0.9
53.03954	0.6
55.01870	1.2
63.44767	0.4
65.03945	1.5
67.01864	0.7
67.05505	0.7
68.99786	7.4
69.70264	0.4
69.70605	1.7
74.69626	0.4
81.03413	3.5
83.04943	0.5
91.05487	0.9
93.03418	0.7
95.04974	1.3
99.04450	0.6
105.03397	1.0
109.02868	4.7
111.00788	7.2
111.04428	0.9
115.05432	0.5
119.04937	1.1
121.02869	1.8
122.83443	0.5
123.04424	12.0
127.03907	74.1
128.04259	1.3
133.02834	2.9
135.04416	2.0
137.02345	13.6
137.03368	0.8
139.03889	100.0
140.04202	1.6
145.06508	0.7
147.04404	4.8
149.02361	2.4
149.05962	0.8
151.03896	35.2
153.01831	1.9
153.05472	0.5
155.03392	3.7
155.04587	0.7
157.02928	0.5
157.06441	1.0
159.04379	1.8
161.02350	0.5
161.05946	0.9
163.03893	9.1
165.01857	0.5
165.05418	1.6
167.03476	3.0
167.04745	0.8
169.06476	0.8
171.04375	1.7
173.05954	0.8
175.03905	11.6
176.04202	0.4
177.05426	4.7
179.03383	29.9
180.03752	1.2
181.04832	1.3
181.06400	0.5
183.04327	0.7
185.05945	2.4
187.03772	1.1
189.05444	2.9
191.03371	6.9
193.04948	2.9
197.05991	0.9
199.03912	3.1
201.05467	3.9
203.03360	15.0
203.06956	0.8
205.04941	5.2
211.03947	0.8
213.05435	4.5
215.03374	1.2
217.04955	4.0
219.06416	0.8
221.04427	0.5
223.02341	0.8
225.05435	0.8
227.03333	0.7
229.04872	3.3
231.06561	2.9
233.04401	3.0
241.04865	1.8
243.06508	0.6
245.04417	11.3
247.05920	1.4
251.05400	0.5
253.04813	1.8
257.04401	7.5
259.06012	2.9
263.05502	18.5
264.05820	0.7
269.04456	4.4
271.05923	3.4
275.05460	7.8
277.06946	2.1
281.04382	1.0
283.05878	0.7
287.05478	38.2
288.05707	1.5
289.07016	6.9
295.05762	0.9
299.05475	19.9
300.05750	0.7
301.06921	1.1
305.06546	11.6
306.06497	0.8
307.08121	0.8
311.05414	0.8
313.06946	0.6
317.06549	16.7
318.06906	0.6
323.05331	1.6
365.06665	0.7
389.06326	1.1
407.03110	0.6
407.07593	6.7
425.08627	19.5
426.08621	1.2
437.08545	0.8
443.09671	5.4
454.90372	0.5
467.09286	1.2
536.04114	0.5
544.33844	0.5
575.10815	0.6
579.10602	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	747.1556
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.00298	0.7
53.03947	1.0
55.01877	1.5
56.42285	0.9
65.03915	1.6
68.99785	5.9
69.03426	0.7
79.01848	1.0
79.05492	1.3
81.03413	2.9
85.02903	0.9
89.03923	0.8
93.03392	1.4
95.04956	1.5
99.04449	1.0
107.04986	3.6
109.02858	3.6
111.00820	4.0
111.04432	4.3
115.05437	0.7
117.03436	0.8
121.02861	2.0
123.03529	0.9
123.04429	22.9
127.03911	84.1
128.04257	1.3
131.04901	2.0
135.04410	32.5
137.02341	3.6
137.03265	0.8
139.03896	100.0
140.04214	2.0
141.01862	0.7
141.06950	0.7
145.02831	0.8
145.06462	0.7
145.17915	0.6
147.03290	0.7
147.04361	3.1
149.02336	2.6
149.05981	3.1
151.02695	1.0
151.03902	19.4
153.01822	11.7
153.02959	0.6
155.03453	0.8
155.04890	1.0
157.06470	0.9
159.04410	2.9
161.02289	0.9
161.04697	0.6
161.06000	2.5
163.03896	37.3
164.04323	0.8
165.05527	1.2
167.03404	5.0
169.06477	1.6
173.05980	3.0
175.03902	4.2
177.05472	5.4
177.08830	0.8
179.03381	7.5
181.04912	2.7
183.04396	1.3
185.05948	1.8
187.03870	6.2
189.05431	2.0
191.03389	7.0
193.04984	2.4
197.05925	3.4
199.03922	0.7
201.05489	7.6
203.03358	8.1
203.07051	2.4
205.04945	6.5
207.02763	0.9
213.05525	2.6
215.03534	1.3
215.07033	2.8
217.05045	1.7
219.06535	0.7
223.02362	0.7
225.05487	0.9
229.04939	8.6
231.06537	1.6
231.52817	0.7
233.04478	3.8
237.05420	1.3
241.04936	1.8
243.06525	4.2
245.04453	6.4
246.04980	0.8
247.06009	46.6
248.06387	1.8
253.05006	1.8
255.06404	2.3
257.04443	7.4
259.06036	6.2
263.05420	1.1
265.04932	1.0
269.04581	3.1
271.06000	16.1
272.06287	0.7
273.07376	1.3
275.05493	7.7
283.06006	12.2
284.06500	1.2
287.05453	17.8
289.07074	19.3
295.06036	1.6
297.07620	0.9
299.05481	6.9
301.07053	19.8
302.07053	1.0
307.08105	1.6
313.07028	1.0
317.06503	2.1
319.08432	0.8
323.05457	1.7
347.05640	0.7
389.06567	1.3
407.07629	8.4
409.09116	18.4
410.09177	1.3
425.08682	10.2
427.10312	3.4
437.08679	1.0
443.09854	1.1
451.09906	1.5
459.09113	1.3
579.10712	1.0
595.10944	2.4
747.23242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.6
53.03936	0.5
55.01870	1.8
63.79704	0.4
65.03934	1.1
67.01862	0.5
67.05500	0.9
68.99783	7.9
69.58007	1.7
77.03944	0.9
77.87415	0.4
79.01841	0.6
80.88309	0.4
81.03413	3.3
85.02916	0.5
93.03414	0.7
95.04970	1.5
98.22598	0.4
99.04464	0.5
105.03391	1.8
109.02884	4.0
111.00099	0.7
111.00808	8.6
111.04427	1.3
115.05476	0.5
117.07013	0.6
119.04913	1.4
121.02860	1.7
123.04424	71.7
124.04763	1.3
125.02354	0.9
127.03910	100.0
128.04243	1.2
130.19855	0.4
131.04881	0.8
133.02858	2.3
135.04440	2.0
137.02321	2.2
137.05954	0.5
139.03896	63.3
140.04228	1.3
143.03354	0.5
145.06497	0.6
147.04393	12.6
149.02374	3.0
150.03113	0.5
151.03900	35.7
152.04253	0.7
153.01822	10.3
153.02962	0.6
155.03423	3.6
155.04755	0.6
156.52638	0.4
157.02837	0.5
157.06468	1.2
159.04413	1.3
161.02315	0.6
161.06009	1.9
163.03897	6.5
165.05478	4.2
167.03430	5.0
169.06528	0.6
171.04379	1.4
173.05954	1.1
175.03900	14.9
177.05476	4.8
179.03386	36.0
180.03711	0.8
181.04932	1.2
183.04433	0.5
185.05952	1.9
187.03899	0.6
189.05466	4.4
191.03386	11.6
193.04945	3.9
197.05986	0.7
199.03918	3.0
201.05455	5.6
203.03386	23.1
204.03705	0.4
205.04955	1.5
212.73734	0.4
213.05435	5.1
215.03378	1.4
215.07068	0.6
215.59579	0.4
217.04922	5.1
219.06528	1.2
221.04478	0.7
227.03343	1.2
229.04968	4.9
231.06516	2.5
233.04459	6.4
241.04932	3.1
243.06686	0.8
245.04451	12.4
247.06029	1.9
251.05515	1.3
253.04930	0.7
255.06528	0.5
257.04446	12.6
258.05035	0.7
259.06064	3.2
263.05508	11.8
269.04413	7.6
271.05975	2.9
273.07587	7.7
275.05484	20.7
276.05884	0.4
277.07089	1.7
283.05936	0.7
285.07541	0.9
287.05481	62.2
288.05768	2.5
289.07010	1.1
291.08624	3.3
299.05493	17.2
300.05701	0.6
303.08578	0.9
305.06537	15.5
311.05432	1.9
315.08554	1.2
317.06522	16.9
318.06689	0.5
325.06848	0.4
329.06845	0.5
379.08026	1.0
391.08191	2.4
407.07449	0.9
409.09171	8.8
410.09763	0.5
421.09167	1.7
425.08676	22.1
426.09509	0.8
427.10080	0.9
433.09073	1.0
437.08725	0.9
443.09720	7.3
451.10266	1.8
455.09662	1.2
480.66333	0.6
559.11646	0.8
561.09991	1.2
577.13654	1.2
579.11584	2.8
701.94458	0.5
747.29999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3767
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03940	0.4
55.05512	0.8
57.03429	1.7
59.04984	0.5
61.02925	3.7
61.87952	0.3
67.05505	2.6
69.03422	1.7
69.07079	0.8
71.04983	1.4
73.02910	2.5
79.05489	2.4
81.03411	4.0
81.07066	2.4
81.23186	0.3
83.08625	0.8
84.18865	0.4
85.02910	4.0
91.03953	1.8
91.05473	2.9
93.07065	2.0
95.04977	1.8
95.08630	1.1
97.02898	3.1
97.06548	0.7
97.79639	0.3
99.04447	0.8
101.02390	1.5
103.03959	0.5
105.07040	1.6
107.08619	1.2
107.22601	0.3
109.02899	1.1
109.06547	0.4
109.10199	0.4
111.08086	0.7
119.08601	1.7
121.10140	3.4
123.11691	0.3
127.03927	1.0
129.07014	1.0
131.08578	1.6
133.10152	1.4
139.11211	0.8
142.07814	0.4
145.04921	0.4
147.08066	0.3
147.11700	1.7
149.09608	2.4
157.10158	1.5
167.10861	0.3
175.11224	1.5
193.12247	2.4
203.05296	0.5
211.13255	0.5
225.11061	0.5
225.14827	0.8
229.41113	0.3
233.11609	0.4
243.08426	2.3
251.12735	0.4
255.54422	0.3
266.22824	0.3
267.16019	1.2
269.13562	2.1
281.13565	0.4
283.15155	3.6
315.10519	0.3
325.16113	0.5
339.17853	1.2
441.21118	0.5
443.18900	7.1
443.24448	0.5
444.19214	0.4
469.20532	3.1
487.21545	8.3
501.23071	15.7
502.23447	0.5
541.30090	0.4
573.25610	0.4
585.32281	0.4
587.27588	0.4
629.98267	0.3
657.30389	0.4
703.35199	4.0
729.36658	1.7
747.37689	100.0
748.38007	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	747.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78319	0.3
53.03942	0.5
55.01883	0.5
55.05510	0.7
57.03440	1.3
59.04999	1.0
61.02928	4.0
67.05494	2.3
69.03423	2.6
69.07070	1.4
71.01357	0.4
71.04998	1.2
73.02914	2.6
73.17625	0.3
79.05497	2.7
81.03413	4.4
81.07058	2.9
83.08623	1.2
85.02905	3.9
85.06528	0.4
87.04478	0.5
91.03950	2.0
91.05479	3.2
93.07046	2.7
95.04993	0.9
95.08611	1.0
97.02889	3.7
97.06538	1.0
98.22620	0.6
99.04474	0.8
101.02402	1.2
101.99734	0.4
103.03971	0.3
105.07028	1.8
107.08620	1.0
109.02896	0.7
109.06566	0.4
119.04974	0.3
119.08555	1.6
121.10165	3.2
123.08090	0.4
127.03934	1.0
129.07047	1.0
131.08548	1.6
133.10124	1.8
139.11218	1.3
142.07767	0.3
145.05026	0.4
147.11649	1.7
149.09605	2.2
157.10201	1.2
165.12787	0.4
167.10730	0.4
175.11163	0.6
193.12245	2.1
197.15320	0.4
206.33397	0.4
211.13513	0.4
225.10992	0.5
225.14955	0.8
243.08342	2.4
251.12692	0.5
267.15997	1.3
269.13638	1.7
281.13849	0.3
283.15140	3.4
284.15546	0.5
301.08969	0.3
311.09171	0.3
339.17813	1.3
371.11493	0.8
443.18848	6.1
469.20450	2.9
487.21490	6.4
501.23026	15.5
502.23248	1.2
517.15912	0.3
573.25531	0.5
585.32794	0.5
587.25201	0.3
703.35211	3.5
704.35645	0.6
729.36322	1.6
730.36481	0.4
747.37701	100.0
748.38043	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	747.3928
Annotation	Sarcohydroquinone sulfate B
Peak:m/z	Relative Intensity
53.03952	0.7
55.01873	1.0
55.05509	1.1
55.44492	0.4
57.03431	1.6
57.07092	0.4
60.08158	0.6
61.02927	3.3
67.05502	4.2
69.03421	2.5
69.07065	1.8
71.05020	0.5
73.02921	2.7
79.05486	3.4
81.03419	2.0
81.07059	3.5
83.08624	0.5
85.02901	3.3
86.09740	0.8
91.03964	2.3
91.05499	2.2
93.07052	3.7
95.04968	0.9
95.08617	1.6
97.02900	3.6
97.06562	1.4
97.10155	0.4
99.04478	0.5
101.02399	1.6
105.07022	1.7
107.08581	2.1
109.02878	0.7
109.06472	0.4
109.10163	1.0
111.08083	0.5
119.08607	1.1
119.54713	0.4
121.10184	0.6
125.00038	0.6
127.03944	0.8
131.08568	0.6
133.10165	1.3
135.08078	0.4
135.11687	3.4
143.08499	0.4
145.04974	0.4
145.10205	1.0
151.11253	0.5
161.09589	0.5
163.11142	0.5
175.11171	0.6
180.92802	0.4
181.12300	0.7
184.07367	4.8
185.04305	0.7
185.07591	0.5
193.12320	0.7
221.11568	1.2
233.21744	0.4
243.08455	2.5
273.18561	0.5
277.14120	0.5
302.18750	0.3
313.17902	1.1
315.10526	0.5
331.18567	1.9
369.15186	0.5
439.19391	10.0
451.19247	0.9
456.19748	0.5
484.96951	0.4
511.21597	1.6
531.25543	1.1
549.26349	1.9
553.26495	0.6
649.32349	2.3
678.31659	0.6
729.38312	8.2
730.37927	0.5
747.39233	100.0
748.39337	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	747.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01874	0.5
55.05510	2.3
57.03442	1.5
61.02928	4.0
67.05505	4.2
69.03418	2.3
69.07084	2.5
69.83791	0.8
69.84146	1.0
71.01340	0.5
71.04981	0.6
73.02919	2.1
79.05492	4.3
80.05843	0.4
81.03432	2.0
81.07043	3.0
83.08606	0.8
85.02914	3.7
86.09717	1.6
87.04498	0.4
91.03957	2.9
91.05505	1.8
93.07036	3.5
95.04984	0.9
95.08608	1.0
97.02899	4.2
97.06541	0.9
97.10144	1.0
99.04469	0.5
101.02375	2.2
104.10779	0.8
105.07034	1.1
107.08590	2.9
109.02879	0.7
109.10181	0.8
117.07030	0.7
119.08603	1.1
121.10125	0.7
125.00033	0.6
125.09673	1.2
127.03930	1.0
131.08656	0.7
133.10181	0.5
135.11703	4.1
137.09644	0.6
138.42744	0.4
145.10136	0.6
159.11743	0.5
181.12294	0.7
184.07368	5.8
185.07709	0.7
189.11237	0.7
214.15625	0.5
221.11621	1.2
223.13333	0.8
243.08374	3.5
271.54044	0.5
291.19781	1.5
331.18866	1.8
387.21268	0.6
439.19370	11.3
511.21341	0.5
516.98895	0.6
549.26825	5.2
747.39227	100.0
748.39612	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	747.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01874	0.5
55.05510	2.3
57.03442	1.5
61.02928	4.0
67.05505	4.2
69.03418	2.3
69.07084	2.5
69.83791	0.8
69.84146	1.0
71.01340	0.5
71.04981	0.6
73.02919	2.1
79.05492	4.3
80.05843	0.4
81.03432	2.0
81.07043	3.0
83.08606	0.8
85.02914	3.7
86.09717	1.6
87.04498	0.4
91.03957	2.9
91.05505	1.8
93.07036	3.5
95.04984	0.9
95.08608	1.0
97.02899	4.2
97.06541	0.9
97.10144	1.0
99.04469	0.5
101.02375	2.2
104.10779	0.8
105.07034	1.1
107.08590	2.9
109.02879	0.7
109.10181	0.8
117.07030	0.7
119.08603	1.1
121.10125	0.7
125.00033	0.6
125.09673	1.2
127.03930	1.0
131.08656	0.7
133.10181	0.5
135.11703	4.1
137.09644	0.6
138.42744	0.4
145.10136	0.6
159.11743	0.5
181.12294	0.7
184.07368	5.8
185.07709	0.7
189.11237	0.7
214.15625	0.5
221.11621	1.2
223.13333	0.8
243.08374	3.5
271.54044	0.5
291.19781	1.5
331.18866	1.8
387.21268	0.6
439.19370	11.3
511.21341	0.5
516.98895	0.6
549.26825	5.2
747.39227	100.0
748.39612	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	747.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94894	0.7
67.05505	0.9
69.08767	1.6
69.09156	4.8
86.09715	1.1
87.03960	0.8
95.08616	1.0
98.23518	1.5
119.23409	0.8
124.25491	0.8
125.22910	0.8
202.13710	0.9
220.05312	0.9
447.90167	0.8
551.23389	0.8
608.57904	1.0
747.40808	100.0
748.41046	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.03437	1.3
61.02916	4.7
66.36339	0.9
67.05508	4.1
69.03437	3.2
69.98610	3.1
72.56543	1.0
73.02917	3.8
79.05492	2.9
81.03386	1.1
81.07070	4.6
85.02905	4.5
91.03963	3.4
91.05479	3.1
93.07045	3.4
95.08601	2.7
97.02898	3.8
98.23309	1.8
101.02367	1.6
103.28246	1.1
107.08590	1.2
109.02872	1.6
109.10128	1.8
121.10209	1.1
127.03922	1.4
133.10188	1.1
135.11696	1.2
163.47781	1.2
184.07347	1.8
193.12335	1.1
206.68224	1.1
243.08400	2.1
251.12582	1.5
267.96564	1.1
469.20517	3.1
502.40894	1.1
519.29419	5.6
626.35199	1.2
665.75214	1.3
736.14435	1.1
747.42853	100.0
748.43292	8.8
771.32941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27865	1.0
57.03447	1.6
61.02925	4.7
61.57533	1.0
67.05508	3.4
69.03432	3.4
69.07093	1.1
69.33115	3.9
73.02933	3.9
79.05500	3.0
81.03423	2.8
81.07078	3.8
85.02899	6.0
91.03964	3.9
91.05505	2.5
93.07059	2.7
95.08623	3.0
97.02914	5.0
98.23476	1.9
99.04436	0.9
100.01240	1.0
101.02390	1.9
105.07034	2.3
107.73269	0.9
109.10190	2.2
119.08611	1.0
121.10185	1.4
133.10184	1.0
140.42293	1.0
147.11676	1.7
184.07419	2.7
190.45059	1.0
243.08406	1.9
330.04947	0.9
404.97607	1.1
427.90326	1.1
469.20395	8.3
519.29541	3.7
561.22034	1.0
747.42865	100.0
748.43018	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78333	0.3
53.03948	0.6
55.01876	0.5
55.05513	1.0
57.03432	1.6
61.02927	4.0
63.20747	0.3
67.05505	3.0
69.03429	2.4
69.07077	0.8
71.01369	0.4
73.02912	3.1
79.05486	2.5
80.97928	0.3
81.03413	3.6
81.07056	3.5
83.08631	1.3
85.02903	5.2
87.04488	0.4
91.03954	2.7
91.05479	1.8
93.07033	2.8
95.04970	1.5
95.08605	2.4
97.02890	3.9
99.04456	0.6
101.02396	1.7
103.03958	0.4
105.07045	1.5
107.04938	0.4
107.08598	1.3
109.02876	0.7
109.10146	1.0
111.08104	0.9
111.91679	0.3
113.06074	0.3
115.03958	0.5
119.08612	1.3
121.10152	1.1
127.03938	1.3
129.07001	0.6
131.08609	0.9
133.10101	0.6
135.11766	0.3
145.04912	0.4
147.11749	0.9
157.10147	0.6
164.48645	0.3
165.12811	0.3
175.11237	0.7
184.07411	0.9
185.04236	0.3
193.12251	2.1
211.13379	1.3
219.21045	0.3
243.08369	2.4
251.12524	3.2
261.22064	0.4
307.15189	0.6
335.25735	0.3
429.47913	0.3
469.20444	7.9
519.29224	4.8
519.36365	0.4
520.29968	0.4
585.37506	0.6
593.10596	0.3
725.85797	0.3
747.42780	100.0
748.43042	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	748.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67838	2.0
65.65591	2.1
68.99785	2.4
71.43673	2.2
77.03957	2.4
79.05438	2.7
82.44391	2.3
85.02903	5.5
89.03915	12.1
91.05485	24.1
103.05463	2.5
104.02631	2.1
105.03403	3.8
106.04144	3.2
109.06503	2.1
117.03364	15.6
119.04935	31.7
121.02850	2.4
121.06532	4.0
121.10126	2.2
122.03674	2.1
123.04424	4.1
133.02843	9.7
133.06447	2.6
134.03648	9.4
135.04434	5.3
137.05939	17.0
139.03925	2.3
140.04689	15.3
142.05870	2.1
145.02831	5.9
147.04422	26.7
149.02318	3.0
149.05981	16.3
150.03127	8.6
151.03883	7.7
151.07469	4.8
153.05478	2.1
155.07008	9.0
161.02303	2.4
161.06015	8.2
162.03088	4.7
162.06758	3.3
163.03825	2.9
165.05492	5.5
166.02588	3.2
167.03441	5.1
167.07051	7.0
175.03896	29.1
177.01834	12.2
177.05452	42.2
177.38374	2.1
179.07057	13.4
181.04913	13.2
190.02606	3.4
191.03403	6.6
191.07040	6.3
193.04951	3.1
194.02119	17.9
195.02946	3.8
205.04956	100.0
206.05423	2.8
207.06523	46.9
209.04445	82.1
223.05977	11.2
225.07610	3.6
237.03853	3.0
251.05716	3.0
307.09518	2.7
335.09085	5.6
353.10239	3.1
355.11731	6.5
364.22388	7.0
367.11856	3.9
371.07669	2.8
385.12991	2.6
406.17496	2.7
413.08633	12.6
455.09720	24.2
467.09787	4.9
497.10663	2.8
515.11926	20.2
533.12927	87.8
534.13507	6.0
577.49084	2.6
587.30603	2.6
597.45599	2.1
748.33331	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	748.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01873	1.3
55.05510	3.7
57.03432	3.7
59.04978	0.7
65.03953	0.8
67.05495	1.8
69.03430	12.5
71.04999	1.0
73.02919	0.9
75.04478	6.1
77.03931	1.2
79.05494	18.7
81.03410	9.1
81.07068	4.3
83.04990	1.6
85.02904	9.8
87.04462	1.0
91.05474	15.4
93.07041	95.9
94.07405	1.0
95.04967	7.1
95.08610	2.5
97.02893	9.0
97.06526	1.2
99.04460	2.3
101.06014	0.6
103.03943	1.2
105.04545	2.7
105.07023	9.7
107.04976	1.4
107.08588	14.6
109.02856	3.7
109.06528	1.0
109.10162	1.7
111.04443	2.7
111.08073	5.1
116.06227	0.8
117.07027	1.6
119.08577	15.9
121.02850	0.7
121.06522	2.0
121.10140	100.0
122.10515	1.4
123.04420	0.8
123.08071	2.1
123.11688	1.0
125.05946	1.2
127.03905	5.7
129.05482	1.1
129.07001	1.1
131.04936	1.3
131.08572	7.3
133.06503	1.3
133.07539	1.0
133.10172	1.1
135.08069	1.0
137.05994	3.5
139.03897	1.3
139.07509	0.6
139.11180	3.4
143.08580	0.7
145.02814	1.8
145.04984	1.9
145.10081	1.8
147.04413	1.1
147.08063	0.8
149.05975	1.4
149.09615	30.8
151.03902	0.7
151.07521	0.9
151.11154	1.0
153.05435	5.4
155.08563	0.8
159.08037	1.8
161.05974	18.0
161.09622	1.5
163.07509	3.7
165.05453	1.0
165.09068	0.8
166.15927	0.6
167.10674	28.6
173.09634	2.6
175.07512	2.5
177.05438	3.3
177.09073	5.7
179.07001	11.9
181.04996	0.9
185.05977	1.4
187.07600	1.3
189.09062	2.7
191.07053	3.4
191.10686	1.9
201.05418	1.8
201.09122	1.2
203.07086	2.9
203.10614	0.6
205.08607	5.7
207.10129	5.7
209.11739	3.5
211.11145	0.7
215.10652	1.0
217.08562	1.5
221.08099	0.6
223.09644	41.1
224.09918	0.9
229.12238	1.1
231.06540	1.0
233.11749	1.2
235.09709	1.8
241.10692	23.0
243.10208	0.7
245.07971	0.9
245.11824	1.0
247.09683	2.0
247.13098	0.8
251.09039	0.6
251.12740	2.8
253.10698	13.3
254.11125	0.8
257.11816	1.0
259.09604	1.1
265.10736	4.7
267.10150	0.8
273.11264	1.4
275.12729	6.6
281.07950	0.8
283.15317	1.7
285.11200	1.6
289.10651	2.4
291.12289	1.1
293.13818	8.3
307.11887	4.9
311.14862	21.1
313.10605	2.4
325.10684	1.1
329.15945	0.6
331.11795	12.8
331.15356	0.9
343.18817	0.9
344.22214	0.6
349.12900	1.6
355.11478	1.3
361.19955	1.5
369.16937	1.1
371.18704	2.8
387.17914	1.7
389.19476	1.8
479.21188	0.8
497.21744	3.3
515.22638	2.6
533.23645	2.3
551.24548	1.9
748.33490	0.9
769.45142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
53.22048	0.2
54.33560	0.2
55.01857	0.3
69.03433	0.5
69.26648	0.2
77.03924	0.5
79.05488	1.3
81.03403	0.5
85.02895	1.3
91.05486	0.2
95.04964	3.4
95.08607	0.3
97.02881	0.5
105.04504	1.5
107.04952	100.0
108.05285	3.8
109.05556	0.5
109.10085	0.3
110.23732	0.2
129.03134	2.2
137.06012	0.4
167.06763	1.5
185.04202	3.6
195.06285	3.5
203.05405	0.3
213.07329	33.2
214.07729	0.5
309.09521	0.6
313.11609	0.3
375.12683	1.7
419.16617	1.6
426.58990	0.2
435.16370	1.2
463.15778	1.1
466.42932	0.3
481.16791	28.7
482.17267	1.0
629.35229	0.3
643.22174	4.2
644.22821	0.3
659.31738	1.4
749.25952	30.6
750.26892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01871	0.9
55.05500	1.6
57.03439	2.0
61.02924	4.4
65.03928	0.3
67.05505	5.9
69.03431	2.7
69.07066	2.3
71.01344	0.6
71.05002	0.9
73.02910	3.1
79.05486	4.4
81.03432	2.2
81.07050	4.8
81.07494	0.4
83.04990	1.3
83.08614	0.6
85.02904	4.0
89.13115	0.3
91.03955	2.1
91.05473	3.0
93.07038	5.2
93.07599	0.4
95.04975	1.0
95.08584	1.7
97.02891	3.9
97.06509	1.6
97.10153	1.0
99.04478	0.9
101.02384	2.0
103.03936	0.4
105.04528	0.4
105.07046	2.0
107.04984	0.3
107.08589	3.1
108.16977	0.3
109.02901	0.8
109.06531	0.8
109.10156	1.1
110.59845	0.3
115.03965	0.5
117.07020	0.8
119.08610	1.5
121.10143	1.1
122.62920	0.3
125.09684	0.4
127.03934	0.8
131.08597	0.6
133.10143	1.3
135.11685	4.6
145.10123	1.4
147.11749	0.5
153.12741	0.4
163.11172	0.6
177.29430	0.3
181.12306	0.5
185.04195	0.5
203.05293	0.4
221.11562	1.1
237.14662	0.3
243.08403	3.2
255.15948	0.7
277.14224	0.9
333.20364	2.6
381.85507	0.3
389.23065	0.6
439.19379	12.4
439.25433	0.6
440.20135	0.7
453.21310	0.8
469.20493	0.5
495.79785	0.3
551.28296	5.5
749.40735	100.0
750.41089	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	749.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01865	0.8
55.05505	1.8
57.03439	2.0
61.02924	3.6
65.03918	0.3
67.05505	5.5
69.03431	3.0
69.07065	1.4
69.52326	1.0
71.01352	0.3
71.04979	0.5
73.02912	2.5
79.05493	3.9
81.03417	1.7
81.07048	3.7
81.07493	0.3
83.04994	0.9
83.08615	0.7
85.02898	4.0
87.04453	0.3
91.03959	2.2
91.05475	2.1
93.07043	3.8
95.04985	0.8
95.08612	2.1
97.02885	4.0
97.06549	1.1
97.10172	0.7
99.04475	0.8
99.08124	0.3
101.02378	1.4
103.03913	0.3
105.07047	1.2
107.08588	3.0
109.02876	0.6
109.06554	0.4
109.10168	1.3
111.08114	0.4
117.07022	0.7
119.08578	1.4
121.06530	0.4
121.10169	1.0
123.08133	0.3
127.03892	1.2
129.06990	0.4
131.08614	0.6
133.10153	0.9
135.11679	4.3
137.09570	0.3
140.04610	0.3
145.04887	0.3
145.10193	0.8
147.11717	0.5
163.11252	0.4
173.43117	0.3
181.12256	0.7
183.22066	0.2
184.07265	0.3
185.04263	0.8
203.05319	0.6
221.11523	0.9
229.14349	0.5
243.08400	2.7
255.16026	0.5
269.17444	0.3
277.14304	0.4
333.16937	0.3
333.20471	1.7
347.49603	0.3
409.05551	0.3
439.19388	11.9
440.19916	0.5
453.21143	1.4
469.20630	0.6
504.05280	0.3
520.96112	0.3
551.28113	3.9
651.33209	0.4
749.40741	100.0
750.27307	0.6
750.40991	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	749.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55848	0.8
55.05502	1.1
57.03443	1.7
61.02932	4.2
67.05511	4.1
69.03430	3.1
69.07060	2.2
69.36174	3.9
73.02921	3.8
79.05505	1.5
81.03419	4.3
81.07065	4.5
83.08640	1.6
85.02901	6.8
87.04504	1.3
91.03966	3.1
91.05505	2.4
93.07044	1.7
95.04974	1.6
95.08620	3.2
97.02874	4.2
99.04482	1.1
101.02389	1.7
105.07018	2.3
109.02840	1.1
109.10185	1.6
119.08598	1.1
121.10138	0.9
127.03919	2.1
133.10168	1.4
134.97467	0.8
147.11729	1.9
151.07506	1.0
175.11328	1.0
181.05269	0.8
185.04305	1.7
193.12231	1.4
193.48221	0.8
206.52699	0.8
211.13364	0.8
243.08414	3.5
244.28636	0.8
267.15808	1.0
403.95697	0.9
469.20483	9.3
521.30499	5.2
582.49951	0.9
722.48969	1.0
749.44305	100.0
750.44934	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	749.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01868	0.4
55.05510	2.0
57.03433	2.0
61.02923	6.4
61.03207	0.5
65.03931	0.3
67.05501	6.1
69.03426	4.4
69.07065	2.3
71.01361	0.3
71.04997	0.7
73.02915	4.1
78.63670	0.3
79.05484	2.3
81.03413	2.5
81.07050	7.3
81.07501	0.5
83.04974	0.6
83.08625	1.8
85.02896	6.9
85.06531	0.3
87.04480	0.7
90.71650	0.3
91.03948	4.4
91.05475	2.4
93.07040	2.6
95.04988	1.2
95.08594	3.6
97.02885	6.1
97.06529	0.5
97.10192	0.7
99.04455	1.4
99.08099	0.3
101.02382	2.1
103.03957	0.4
105.07013	1.6
107.08617	1.3
109.02905	0.8
109.06511	0.3
109.10152	2.3
111.11716	0.4
114.71304	0.3
119.08607	1.3
120.51173	0.3
121.10157	1.2
123.08096	0.4
123.11740	0.6
127.03926	1.5
129.05521	0.3
129.07019	0.5
131.08572	0.3
133.10164	1.3
135.11697	0.5
145.04913	0.4
147.11739	1.1
157.10109	0.4
175.11177	0.5
185.04187	0.8
193.12296	0.9
203.05203	0.6
225.43597	0.3
243.08319	2.3
245.22588	0.3
251.12573	1.3
307.15228	0.5
311.25998	0.5
337.27463	0.9
343.11008	0.3
377.54578	0.3
469.20490	4.2
503.37494	0.4
521.30762	7.2
522.31140	0.4
540.35071	0.4
575.54706	0.3
600.98969	0.3
696.08209	0.3
749.44373	100.0
750.44684	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	749.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05509	1.0
57.03438	1.5
61.02927	5.0
67.05501	4.8
69.03424	2.9
69.07078	0.9
69.72851	1.4
69.73199	0.4
71.01377	0.7
71.04988	2.0
73.02917	3.2
79.05479	2.3
81.03436	1.9
81.03843	0.3
81.07053	2.5
83.08654	0.4
85.02906	3.7
87.04436	0.3
91.03967	3.0
91.05499	1.3
93.07040	3.0
95.05016	0.4
95.08602	2.3
97.02892	4.3
97.06556	0.5
98.23345	0.4
99.04471	0.7
101.02407	1.4
103.03961	0.4
105.07034	0.8
107.08606	1.6
109.02925	0.8
109.10168	3.1
115.03901	0.3
117.07035	0.5
119.08611	1.2
121.10168	1.4
123.11786	0.4
124.99984	0.4
127.03928	1.4
128.17107	0.3
133.10144	0.4
135.11726	1.4
137.09601	0.9
145.10141	0.5
147.11665	0.5
153.12846	0.4
163.11026	0.4
173.11798	0.5
183.06445	0.4
184.07405	1.5
185.04195	0.6
243.08331	1.7
243.16061	0.5
253.14227	1.1
287.12448	0.4
335.25836	0.6
378.27563	0.4
469.20544	0.6
471.21954	5.0
519.29431	4.9
749.44379	100.0
750.44739	6.4
780.37469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.4
57.03439	1.7
61.02927	4.7
67.05501	5.9
69.03433	3.8
69.07063	1.3
73.02923	4.1
79.05481	2.1
81.03450	1.5
81.07059	7.4
85.02901	5.1
91.03965	2.2
91.05508	2.5
92.24974	1.0
93.07065	4.5
95.08640	4.4
96.31175	1.0
97.02901	2.4
97.06609	1.0
101.02467	1.0
105.07059	1.0
107.08614	1.5
107.40762	1.0
109.10137	1.6
114.92266	1.0
114.93063	0.9
117.01636	1.1
117.07017	1.4
121.10189	1.4
127.03938	1.1
135.11716	2.1
140.01125	0.9
149.13249	1.9
155.43434	0.9
184.07376	2.8
218.79939	1.0
243.08566	3.4
290.36301	1.0
350.50824	1.0
453.20959	8.8
537.30280	6.7
645.11078	1.2
749.44446	100.0
750.44635	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	749.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01876	0.5
55.05287	0.3
55.05495	1.7
57.03433	1.5
57.07078	0.4
61.02632	0.6
61.02925	6.8
67.05503	6.9
69.03429	3.8
69.07071	1.4
69.76343	0.3
71.01360	0.5
71.05004	1.2
73.02913	4.6
79.05494	2.7
81.03394	1.8
81.07056	7.9
81.07510	0.6
83.04982	0.7
83.08631	1.4
85.02901	6.2
85.06543	0.9
87.04476	0.6
91.03966	3.4
91.05480	2.7
93.07046	4.1
95.04978	0.8
95.08620	2.9
97.02895	4.9
97.06545	0.8
99.04469	1.1
101.02382	1.9
103.03934	0.5
105.07048	1.0
107.08586	2.1
109.02888	1.1
109.10154	1.7
111.08107	0.4
115.03973	0.6
117.07008	0.8
119.08582	0.6
121.10150	1.4
123.11713	1.0
124.99995	0.4
127.03901	2.3
131.08607	1.2
133.10139	1.7
135.11717	1.0
140.91098	0.3
149.13293	1.2
151.11220	0.7
159.11749	1.0
184.07428	1.5
185.04250	1.0
187.13297	1.1
203.05136	0.4
216.75223	0.4
243.08456	2.7
253.14156	0.7
261.21957	0.4
267.15866	0.3
335.25757	1.1
427.19382	10.2
427.24948	0.7
471.22012	4.2
519.29327	6.1
520.29803	0.4
705.41797	5.6
706.41260	0.5
749.44330	100.0
750.44714	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	750.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.9
55.01836	1.1
55.05462	11.7
55.05745	1.0
57.03386	10.6
57.07022	4.9
59.04934	0.5
61.02876	1.4
67.05505	15.6
67.05836	0.8
69.03380	1.8
69.07064	16.4
69.07414	0.6
70.26240	0.5
70.61543	0.7
71.04930	2.0
71.08630	2.7
73.02876	1.0
73.68719	0.5
73.90845	0.5
78.17273	0.6
79.05483	9.7
81.03414	46.5
81.03880	1.6
81.07054	18.9
83.04978	2.7
83.08617	22.9
85.02832	1.6
85.06492	1.5
85.10143	1.2
87.04400	1.6
91.03924	1.0
91.05478	8.0
93.07040	10.7
95.04961	14.1
95.08595	13.9
97.02835	2.3
97.06545	2.9
97.10165	8.2
99.08066	1.1
103.05445	0.6
105.07031	7.5
106.73877	0.5
107.04939	3.0
107.08591	6.4
109.06445	2.3
109.10150	6.3
111.04372	1.3
111.08068	6.5
111.11656	1.8
112.79453	0.4
117.06996	0.7
119.04902	0.7
119.08574	8.5
121.06431	1.3
121.10133	12.1
123.04385	0.8
123.07986	1.3
123.11693	3.6
125.09576	1.7
129.06995	4.2
131.08560	5.7
133.06467	1.5
133.10124	3.2
135.11685	6.7
137.09650	0.7
137.13199	1.6
139.11142	1.0
142.07739	1.8
143.08537	0.5
145.10080	1.2
147.07965	1.9
147.11688	5.3
149.09625	3.3
149.13252	3.2
153.12701	0.8
157.10127	7.3
163.11078	1.0
163.14728	1.4
165.12708	1.3
175.11177	6.1
177.16335	0.9
184.07376	0.8
193.12233	18.8
194.12427	0.8
205.12257	0.7
211.13274	1.2
219.21045	1.6
235.13153	1.0
237.22163	2.4
249.14790	1.7
267.15887	100.0
268.16232	2.8
271.04852	0.5
273.14847	0.8
301.14194	0.8
309.16833	1.4
311.25778	81.3
312.26184	1.7
368.16296	0.6
429.33557	2.1
503.37280	71.1
504.37546	3.8
521.38416	11.5
545.38269	3.1
553.40765	0.8
599.39172	0.7
611.39417	0.8
629.39746	0.7
666.41089	0.5
750.44843	22.5
751.44739	1.8
768.44458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	2.6
55.01829	2.2
55.05511	19.9
55.05747	1.3
57.03437	16.0
57.07077	6.1
61.02927	4.2
62.09637	0.7
65.03918	0.8
67.05503	29.5
68.05784	0.7
69.03433	3.9
69.07067	29.2
69.25257	2.8
69.25664	1.3
71.01319	0.8
71.04945	2.5
71.08584	2.5
73.02868	2.8
79.05484	16.0
79.06168	0.8
80.05786	0.9
80.56532	0.6
81.03415	69.1
81.07053	30.4
82.03690	0.7
82.07342	0.8
82.46194	0.7
83.04974	4.3
83.08617	31.4
85.02911	5.1
85.06502	1.9
85.10143	1.1
87.04405	2.1
91.03925	1.5
91.05475	14.3
93.07043	15.9
95.04967	20.9
95.08603	21.9
97.02890	5.5
97.06522	4.2
97.10166	12.7
99.08067	0.8
101.02315	1.4
105.07029	11.0
107.04954	5.3
107.08593	9.7
109.02796	0.6
109.06467	2.2
109.09539	0.7
109.10150	8.1
111.04420	0.9
111.08071	7.9
111.11663	2.4
115.05411	0.9
115.11137	0.7
117.06991	1.2
119.04936	0.9
119.08578	7.2
121.06465	2.7
121.10133	16.8
123.04403	1.0
123.08037	1.6
123.11705	4.1
125.09560	2.5
125.13170	0.8
127.03889	1.1
129.07005	8.0
131.07803	0.6
131.08569	6.4
132.52054	0.8
133.06441	2.5
133.10132	4.6
135.11688	9.3
137.09584	1.5
137.13170	2.1
139.11143	1.6
142.07767	1.3
145.06520	0.8
145.10071	2.4
146.79654	0.7
147.07983	2.6
147.10741	0.7
147.11679	6.7
149.09607	4.1
149.13216	3.7
153.12695	0.9
157.10143	8.1
159.11653	0.7
163.11162	1.3
163.14764	1.2
165.12708	1.6
175.11217	7.7
177.16295	0.8
189.95558	0.6
193.12239	22.4
199.73123	0.7
207.05957	0.9
211.13237	1.8
219.21101	2.3
222.98164	0.7
235.13361	0.9
237.22118	2.3
249.14888	1.7
267.15894	100.0
268.16324	3.1
301.14191	1.5
309.17010	1.2
311.25781	88.9
312.26147	3.0
429.33737	2.3
470.20923	1.3
503.37296	77.9
504.37891	4.7
517.38867	0.8
521.30835	0.8
521.38354	11.1
522.31396	2.4
545.38251	2.9
599.39252	1.1
629.40027	0.8
750.44769	52.5
751.44940	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	752.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.3
55.01871	7.1
55.05513	6.1
57.03422	3.8
57.07076	1.3
61.02929	6.0
65.03943	1.5
67.05506	21.2
68.74045	0.6
68.99792	2.5
69.03429	27.6
69.07068	8.3
71.01363	1.3
71.04992	4.8
73.02920	7.1
77.03925	0.8
79.05494	13.9
81.03419	28.4
81.07057	51.0
83.01345	1.1
83.04965	1.7
83.08620	3.0
85.02906	66.4
87.00828	28.4
87.04424	0.9
91.03960	2.2
91.04937	1.7
91.05479	20.1
93.07046	36.1
94.07381	1.2
95.04955	3.8
95.08610	58.5
96.95190	0.8
97.02898	25.0
97.06567	0.8
97.10164	2.1
99.04459	12.1
103.05491	1.2
105.01865	25.5
105.04489	1.6
105.07034	59.1
107.04948	1.0
107.08595	58.2
109.02884	33.2
109.06510	2.2
109.10159	40.6
110.10545	1.0
110.13675	0.8
115.03909	1.6
117.01858	3.1
117.07069	1.5
119.04996	0.8
119.06091	1.6
119.08582	40.5
120.08881	0.7
121.06522	1.0
121.10146	18.7
123.11720	10.5
127.03916	59.6
129.01834	3.5
129.07117	1.5
131.08563	2.6
133.10124	27.8
135.10664	0.9
135.11694	16.5
137.05980	2.2
137.13269	0.8
139.03912	0.9
143.08620	1.3
145.04959	20.1
145.10152	4.2
147.02919	2.0
147.11688	49.6
149.13245	3.1
151.11229	1.2
157.10094	1.3
159.02885	14.6
159.11711	2.1
161.09624	1.0
161.13257	16.2
163.14864	5.9
171.11700	1.0
173.13251	0.9
175.14803	7.7
177.03859	0.9
189.03963	3.4
201.16405	2.9
203.17953	100.0
204.18341	3.0
213.03957	6.9
213.16405	1.1
214.04353	0.8
219.10059	0.9
221.18954	5.3
231.05000	17.0
249.06076	4.1
273.06018	3.5
284.09903	0.9
290.69461	1.0
339.07028	1.5
357.08047	1.3
367.15381	1.0
397.16541	3.4
433.22443	1.9
451.23264	1.2
461.09064	1.3
486.26849	4.4
734.41388	1.0
752.35486	1.1
761.50031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
53.11536	0.5
55.01873	8.1
55.05508	8.0
57.03437	2.1
57.07077	14.5
62.20853	0.6
65.03947	0.9
67.05504	21.1
69.03432	1.4
69.07070	12.1
69.21191	3.2
71.04988	1.5
73.02905	0.6
73.06567	0.9
77.03927	1.2
79.05491	23.7
81.03432	3.4
81.07056	24.3
83.04968	4.9
83.08613	3.6
85.06522	0.9
86.92110	0.5
87.04466	5.7
89.06032	20.6
91.05479	28.2
93.07040	23.2
95.01348	3.0
95.04967	7.2
95.08607	15.4
97.06528	15.0
97.07117	1.0
97.10172	1.8
103.05467	1.1
105.04535	1.5
105.07027	33.3
107.04959	9.5
107.08595	8.9
109.06489	3.1
109.10117	4.4
111.08089	1.5
115.05479	0.8
117.07024	6.5
117.09137	0.8
118.07851	1.0
119.04916	1.1
119.08575	18.1
120.08961	0.6
121.06511	6.9
121.10149	3.5
123.04408	0.9
123.08084	2.6
123.11654	0.8
125.09592	0.6
125.13351	0.6
129.06990	4.0
131.07040	2.1
131.08557	7.0
133.08611	13.4
133.10147	17.3
135.08083	2.9
135.11661	2.8
137.09613	1.0
139.07552	0.7
143.08562	3.5
145.06526	0.8
145.10120	7.6
147.08049	3.2
147.11684	12.4
148.43268	0.6
149.09616	4.4
149.13266	1.6
151.11230	1.3
155.08527	0.8
157.10190	0.7
159.08023	0.6
159.11638	3.2
161.09592	1.0
161.13286	3.6
163.11166	2.6
165.09114	2.3
171.11674	5.6
173.13283	2.0
175.08345	0.6
175.09706	1.8
175.11127	0.9
177.11227	5.7
177.12781	2.2
179.14297	4.5
183.11713	1.0
187.11194	1.6
189.12775	1.7
191.10660	0.7
197.13434	0.7
207.13808	4.0
209.11839	0.8
221.13922	1.6
233.18979	4.2
239.17824	0.8
247.20752	0.6
257.19034	2.5
259.20639	1.9
263.16400	0.8
274.90656	0.6
275.20068	31.9
276.20428	1.4
277.21649	6.1
279.15857	3.2
281.17468	23.6
282.17868	0.8
293.21072	2.1
311.26379	0.7
321.24252	1.9
349.23746	14.7
349.27759	1.0
397.24847	0.7
537.35901	2.7
555.36780	100.0
556.37164	6.8
573.37927	1.3
623.36664	0.8
630.97321	0.7
652.93286	0.6
673.77710	0.6
731.11981	0.7
735.48584	2.3
752.51434	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	752.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	63.4
63.04895	2.5
69.79689	9.9
71.08645	3.7
72.98813	2.7
73.06554	3.2
82.62231	3.0
87.04474	32.8
89.06033	100.0
91.05483	8.2
93.07059	4.0
105.04549	3.3
105.07026	3.2
106.26113	2.8
107.04961	2.8
107.08595	4.3
118.07845	2.9
119.04957	4.5
119.08581	3.8
121.06519	24.8
123.51044	3.1
131.07059	13.9
133.08615	70.2
135.08014	5.4
136.78767	3.0
147.08069	10.6
149.09636	5.7
165.09044	7.1
175.09619	8.3
177.11224	33.3
191.10703	4.5
199.33986	3.0
207.26936	2.8
209.11775	4.8
211.13284	5.2
219.12251	3.7
221.13852	6.9
233.19000	24.1
235.13254	4.3
245.64153	2.6
248.16150	3.4
255.15787	4.6
259.20703	6.4
275.23596	3.5
277.21622	31.6
283.17480	4.5
287.42453	3.3
321.24158	12.3
479.75034	3.2
595.71698	3.7
735.49133	15.1
752.50934	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	752.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.3
55.05515	1.0
57.03433	0.5
57.07076	10.2
58.51189	0.3
59.05007	1.8
64.78148	0.3
67.05502	3.4
69.03442	0.8
69.07049	0.6
71.04997	0.5
73.02916	1.2
73.06564	1.9
73.06908	0.2
76.02682	0.3
77.09451	0.3
79.05491	1.0
81.03422	1.0
81.07047	1.4
87.04465	32.3
87.26764	0.3
88.04792	0.5
89.06028	100.0
90.06367	0.9
91.05492	2.1
91.07601	0.5
93.07047	1.0
95.04976	0.7
95.08558	0.6
97.06522	0.6
98.23473	0.6
103.05470	0.5
105.07034	1.0
107.04961	0.6
107.07066	2.0
107.08595	0.6
109.10146	1.8
109.49177	0.3
113.06009	0.7
113.13270	0.4
117.06978	0.7
117.09132	1.2
119.04933	0.5
119.08585	1.2
121.06513	3.4
123.08031	0.3
125.09579	0.3
130.08647	2.8
131.04955	0.5
131.07039	10.1
131.12610	0.3
133.08598	67.0
134.08942	0.8
135.08130	0.3
135.10112	0.5
147.08063	3.0
149.09581	1.8
149.37614	0.3
157.08611	0.6
161.11786	0.5
163.11211	0.7
164.92049	0.4
173.09639	1.1
175.09657	10.1
175.11006	0.4
177.11211	29.1
178.11534	0.7
191.10683	1.1
193.12265	0.7
209.11722	0.5
219.12254	2.9
221.13832	6.6
223.15349	0.4
229.14299	2.0
230.14636	0.6
233.18994	1.1
235.13249	0.8
237.13264	0.6
239.14751	0.8
246.42128	0.3
253.14342	0.9
255.15811	0.7
259.20523	2.2
261.22070	0.7
263.14792	0.7
265.16608	1.5
267.15881	0.6
275.20258	0.4
277.21555	0.6
283.17517	1.4
297.16882	1.3
299.18491	0.7
303.23117	1.4
305.24637	0.4
309.19025	1.2
315.17648	0.3
321.24133	0.6
323.18573	0.6
327.20139	0.6
341.19791	0.7
353.21643	1.2
365.26956	0.7
387.23950	0.6
397.24023	0.7
441.26785	0.5
517.29248	0.5
520.09369	0.3
541.35211	1.1
585.39679	0.5
735.47931	1.0
752.39240	1.3
752.51489	1.4
753.41534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
54.05870	0.5
55.01862	1.6
55.05510	8.0
57.02816	0.5
57.03436	16.7
57.07074	37.3
59.04982	0.5
61.02919	0.8
65.03941	0.6
66.93493	0.4
67.05501	18.0
68.05826	0.5
69.03413	1.6
69.07067	8.9
71.04989	1.3
71.08627	27.7
75.04492	0.5
79.05495	10.6
81.03413	82.5
81.07052	19.3
82.03756	1.1
82.07349	0.5
83.04982	4.8
83.08615	24.3
85.02890	1.2
85.06525	1.2
85.10178	14.7
89.06018	1.9
91.03949	0.6
91.05478	14.2
93.07037	7.5
95.04967	21.7
95.08601	20.3
96.05299	0.5
97.02880	1.9
97.06522	1.7
97.10168	6.4
99.08096	0.5
99.11726	0.8
101.05987	0.6
103.07579	1.6
105.07027	10.2
107.04939	4.9
107.08594	3.3
109.06496	3.1
109.10156	9.3
111.04427	1.7
111.08070	5.5
111.11699	0.8
115.05427	1.0
117.07024	1.5
117.09151	0.6
118.14619	0.5
119.08573	11.3
121.06531	1.8
121.10134	5.5
123.04425	1.0
123.08092	1.3
123.11708	4.4
125.09646	0.8
129.07004	7.5
131.08557	7.6
133.06508	2.7
133.10130	3.4
135.08038	0.6
135.11673	0.7
137.09657	0.9
137.13248	1.0
142.07791	2.7
145.10161	1.5
147.04407	0.6
147.08043	2.8
147.11679	7.5
149.09641	4.4
151.14810	0.6
157.10107	9.0
159.72009	0.4
163.11124	1.2
165.12762	1.3
171.29202	0.5
175.11179	9.0
193.12238	26.5
194.12595	0.7
203.86316	0.5
205.12241	0.6
210.83771	0.4
211.13339	1.7
219.13936	0.5
223.13489	0.5
235.13281	0.9
236.97527	0.5
239.23636	2.2
248.06903	0.5
249.14828	1.4
255.05545	0.5
257.24747	1.8
259.13272	0.5
267.15891	100.0
268.16263	3.9
273.14713	0.6
301.14279	1.0
309.17023	1.7
313.27347	96.5
314.27686	4.2
457.69040	0.5
469.80750	0.5
505.38828	71.4
506.39172	6.4
523.39539	1.3
547.39868	2.9
601.40717	0.9
613.40393	0.6
649.43005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.3
55.01856	1.1
55.05515	8.0
57.03439	13.9
57.07079	27.1
61.02918	0.9
67.05507	13.9
69.03410	1.7
69.07074	6.6
70.69946	1.1
71.04971	1.7
71.08635	19.0
76.69066	0.5
79.05500	7.4
81.03419	58.9
81.07061	15.5
82.03719	0.6
83.04990	2.8
83.08622	14.6
85.02864	1.6
85.09708	0.6
85.10184	10.7
86.55966	0.5
89.06009	1.3
91.04964	0.7
91.05484	11.0
93.07042	4.5
95.04971	16.3
95.08038	0.8
95.08610	13.7
95.79533	0.6
97.02859	1.8
97.06512	1.3
97.10165	4.4
99.08067	0.6
99.10320	0.5
99.11758	0.6
103.07575	0.9
105.06447	0.7
105.07032	7.5
107.04974	3.7
107.08618	2.6
109.06495	1.8
109.10168	5.0
111.04414	1.5
111.08080	3.8
111.11673	0.6
115.05444	0.9
117.07001	0.8
119.04844	0.7
119.08582	7.7
121.06498	1.2
121.10139	3.8
121.40556	0.6
123.04392	0.7
123.08054	0.8
123.11716	3.0
129.06995	6.5
131.08571	4.1
133.06516	2.5
133.10109	2.5
137.09601	1.5
142.07755	1.3
145.10178	0.7
147.08017	2.4
147.11697	4.1
149.09683	3.4
157.10130	5.6
175.11197	5.7
193.12238	19.7
205.12141	0.6
211.13353	1.1
228.11508	0.6
232.75876	0.5
235.13387	0.5
239.23647	1.5
241.31544	0.6
249.15027	0.9
257.24817	1.9
267.15912	100.0
268.16217	3.2
273.14948	0.9
299.26001	0.5
301.14493	1.3
309.16882	1.6
313.27377	94.9
314.27719	3.9
431.35037	1.0
460.65329	0.5
505.38876	81.7
506.39264	6.8
510.65741	0.6
523.39728	1.3
547.40082	2.8
631.42065	1.2
657.07550	0.6
752.46204	7.6
753.46875	0.8
761.10284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	3.6
55.05514	35.1
57.03442	18.7
57.07080	37.6
59.05025	2.4
61.02929	3.9
65.03925	1.3
67.05506	56.9
69.03442	3.1
69.07069	13.1
71.05005	3.1
71.08633	27.2
73.02927	1.6
79.05491	15.4
81.03428	4.9
81.07061	30.0
81.18798	1.0
83.04996	4.9
83.08625	20.2
85.02916	13.5
85.06571	1.8
85.10191	13.6
86.09715	3.3
87.04475	7.8
89.06017	1.8
91.03934	2.0
91.05482	7.3
93.07036	8.7
95.04977	3.3
95.08610	26.4
97.02890	4.4
97.06535	2.0
97.10172	23.0
97.10750	1.8
103.07621	1.1
105.07051	3.1
107.04974	2.1
107.08601	11.3
107.42989	1.1
109.02819	1.3
109.10159	43.6
109.10897	2.3
110.10505	1.5
111.08110	1.8
111.11741	1.3
119.08604	4.3
121.06548	1.2
121.10139	3.6
123.11716	3.4
125.09639	15.3
125.53352	1.1
130.20140	1.0
131.08588	2.6
132.64374	1.2
133.10165	1.9
135.11693	2.6
137.09613	2.4
143.10710	3.1
145.10109	2.8
147.11681	1.6
155.10713	3.1
163.11188	3.4
173.09538	1.2
173.11766	10.0
181.12199	1.1
184.07338	6.9
189.11244	1.4
189.57339	1.0
191.10701	1.5
199.13289	12.6
209.11740	4.1
223.13260	2.1
227.12836	8.2
229.14349	52.4
233.13628	1.1
239.23744	3.9
257.24792	2.0
259.81183	1.1
267.16055	2.4
283.15366	5.7
297.16913	5.2
301.16431	27.3
302.16785	1.4
313.27362	100.0
314.27655	3.9
335.25787	5.0
341.26813	1.7
424.56018	1.3
437.36121	2.8
455.37378	16.0
467.37286	28.7
468.37393	1.8
501.23047	2.6
521.38263	1.7
539.39398	12.3
557.39221	3.1
571.39746	1.4
576.84406	1.2
658.24005	2.0
754.45837	3.2
755.45825	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	755.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01859	0.9
55.05509	1.6
56.96575	0.8
57.03434	1.6
61.02922	4.0
67.05497	12.9
69.03430	3.7
69.07069	0.8
71.05000	1.7
73.02915	3.2
78.49666	0.6
79.05496	2.4
81.03427	2.3
81.07055	3.1
81.84199	0.6
83.05006	0.9
83.08626	1.4
85.02901	5.4
85.06583	1.0
91.03961	3.8
91.05491	2.6
93.07060	2.1
95.08619	2.0
97.02882	3.9
98.97609	1.7
99.04459	1.8
101.02391	1.8
105.07063	1.4
107.04991	0.9
107.08629	1.0
109.02914	0.8
109.10146	11.6
111.08117	1.3
112.99186	0.7
119.08589	1.6
127.03952	2.5
129.05453	0.8
131.00201	0.6
131.08597	0.9
133.10216	0.9
137.09662	1.3
145.04994	0.9
149.01222	0.9
151.11237	0.9
152.30171	0.7
155.10693	1.8
170.99638	0.8
173.11737	4.6
185.04253	2.3
193.12416	1.0
195.09973	2.4
199.05856	1.1
201.03680	1.1
215.09572	0.6
229.14270	3.9
243.08295	3.0
251.12531	1.1
265.14288	1.0
285.16989	0.7
293.05771	0.8
293.13510	0.9
295.99762	0.6
301.08841	3.9
313.31085	0.6
321.05115	1.4
333.36060	0.6
337.56693	0.6
339.14102	1.4
341.99817	0.6
349.23715	0.9
353.61716	0.7
360.10159	1.0
369.38266	0.6
373.11234	1.9
377.23080	0.9
385.18274	3.6
385.99820	0.6
413.17767	30.7
414.18292	0.8
423.23340	0.9
429.17624	1.2
441.20795	1.0
444.19843	1.4
455.10529	0.7
485.20197	1.9
541.34979	0.8
558.35150	1.1
559.36029	1.4
585.28772	100.0
586.29156	6.5
613.31989	2.6
641.31390	2.3
687.30811	0.9
697.42468	0.7
717.33612	1.2
755.38251	14.4
756.38336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01880	0.3
55.05511	1.4
57.03438	1.7
57.07072	0.9
59.04994	0.5
61.02627	0.5
61.02923	4.3
62.68175	0.3
64.77988	0.3
67.05502	2.7
69.03427	3.1
69.07077	2.4
71.04992	0.8
71.08614	0.5
73.02915	3.6
76.07265	0.3
79.05507	1.9
81.03416	3.3
81.07059	3.1
83.08617	2.1
85.02893	4.2
87.04462	0.5
91.03944	3.3
91.05486	1.7
93.07027	1.9
95.04960	0.4
95.08605	2.8
97.02892	3.8
97.06527	0.7
97.10182	1.0
99.04472	0.7
101.02357	1.4
103.03963	0.6
105.07034	0.9
107.08591	1.8
109.02874	0.7
109.10168	1.0
111.08074	0.4
115.03957	0.4
119.08554	0.6
121.10143	1.7
123.11752	0.4
127.03947	1.2
129.07010	0.3
131.08572	0.6
133.10129	0.4
135.11716	1.3
137.13312	0.3
139.11082	0.3
145.04916	0.5
147.11653	0.5
149.09642	0.9
149.13228	0.5
157.10155	0.5
167.60663	0.3
172.32114	0.3
175.11188	0.5
185.04265	0.8
193.12352	0.4
203.05347	0.5
225.14946	0.7
232.75462	0.3
233.11430	0.4
237.22067	0.5
243.08414	1.6
260.52798	0.3
283.15158	4.4
301.16696	0.4
311.25912	1.4
313.27509	0.4
314.27759	0.6
325.65283	0.3
339.17734	0.5
339.25589	0.3
410.24951	0.3
411.94910	0.3
416.92093	0.3
441.21225	0.3
446.51141	0.3
495.29260	7.9
496.29767	0.6
501.23019	7.3
527.32269	0.3
593.39899	0.5
612.61163	0.3
755.45447	100.0
756.45782	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	756.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01873	13.5
55.05509	50.0
55.17332	2.0
55.92569	1.5
57.03434	30.3
57.07066	3.2
58.00932	1.8
59.05001	29.2
61.02919	6.7
65.03920	2.4
67.05501	100.0
69.03418	11.2
69.07064	17.8
71.01340	3.0
71.04987	21.2
73.02912	4.9
74.95714	1.8
79.05489	53.0
80.04342	1.6
81.03412	58.8
81.07053	69.1
82.04169	2.4
83.04985	19.1
83.08617	23.6
85.02898	11.3
85.06536	7.2
87.04467	29.3
90.51534	1.5
91.03935	3.1
91.05476	47.7
93.07036	38.1
94.04146	2.0
95.04967	33.3
95.08012	2.6
95.08601	23.9
97.02894	13.9
97.06529	13.4
97.10162	31.9
98.07303	3.7
99.04452	19.1
99.08066	2.2
101.06046	2.3
105.04542	2.8
105.07028	31.6
107.04961	17.8
107.08591	31.4
109.02870	5.0
109.06518	11.5
109.10152	52.7
111.04440	10.9
111.08074	11.0
113.02401	1.5
113.05958	2.3
116.04715	7.3
117.07028	9.5
119.08587	25.8
121.06502	6.9
121.10135	18.8
123.04423	8.5
123.08041	6.2
123.11714	5.2
125.06020	1.8
125.09634	32.8
127.03924	5.5
127.11179	3.1
129.05486	18.1
129.06966	9.8
131.08578	18.1
133.06483	5.0
133.10126	17.8
135.08041	5.4
135.11673	11.3
137.09599	5.0
142.07776	2.3
143.07036	5.2
143.10680	2.5
145.06427	4.5
145.10095	13.5
147.08047	5.2
147.11702	12.7
149.09618	6.2
149.13196	2.2
151.11162	4.6
153.09097	3.0
153.12750	4.8
155.08574	1.9
155.10728	4.0
157.08589	7.7
157.10136	10.2
157.12236	2.9
158.05672	2.2
159.11581	2.0
161.09627	2.4
163.11180	14.9
165.12796	2.6
169.10039	2.4
171.06659	2.0
171.10188	3.7
171.11613	2.6
173.04439	2.4
173.09601	6.1
173.11772	15.8
173.13155	3.7
175.11182	11.8
179.10670	3.1
181.12204	7.5
184.85265	1.9
187.11380	2.3
187.13144	2.1
189.11197	8.2
191.10632	5.4
193.12231	15.2
194.12447	2.2
199.13245	18.2
201.14828	2.7
209.11688	15.8
211.13266	5.3
217.14366	3.9
223.13252	6.0
225.14951	2.9
227.12778	18.0
229.12206	3.2
229.14337	43.0
233.15381	18.4
235.13222	5.1
241.14247	4.5
243.15962	3.7
249.14865	3.4
255.15860	3.3
261.26440	2.0
267.15924	40.9
273.14667	3.6
275.20786	1.6
283.15424	13.6
285.16940	17.1
291.15781	1.9
301.16528	26.9
301.19885	3.0
309.16946	2.1
311.18665	1.8
315.18002	5.4
353.91071	1.7
367.22421	4.5
383.24207	4.4
385.23560	5.1
397.25961	3.3
403.24814	4.9
421.26138	2.7
435.26993	2.9
437.25275	3.3
441.25888	2.2
443.26514	4.3
451.26636	3.8
455.26349	20.0
459.27405	52.6
461.28845	2.3
469.27866	3.8
475.26831	2.2
477.28442	53.5
495.29288	5.7
509.30978	3.4
519.30011	2.2
527.31952	4.0
541.29675	13.0
559.30627	7.9
585.30249	4.0
603.31238	6.9
621.32635	4.2
624.96271	2.2
756.37085	2.5
757.35803	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	756.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01872	13.1
55.05510	45.9
57.03436	27.0
57.07073	2.8
59.05002	46.6
61.02919	5.3
65.03925	3.2
67.05503	100.0
69.03428	11.7
69.07066	14.7
71.01347	3.2
71.04990	18.6
73.02903	5.4
73.06519	1.1
79.05491	41.3
81.03419	24.3
81.07056	51.5
82.04191	4.8
83.04983	18.7
83.08620	23.1
84.05751	1.2
85.02907	10.7
85.06536	8.6
87.04468	54.4
89.67506	1.3
91.04947	2.1
91.05479	30.4
91.66097	1.2
93.07043	26.4
95.04969	20.4
95.08602	19.6
97.02900	10.9
97.06537	9.9
97.10167	24.6
98.07315	5.2
98.11472	1.1
99.04443	14.0
101.06026	1.5
103.03890	1.7
103.72688	1.4
105.04518	1.7
105.07037	15.4
107.04955	8.9
107.08592	18.9
109.02858	1.9
109.06541	5.8
109.10153	70.4
111.04453	7.5
111.08071	6.2
115.03989	1.5
115.05473	1.3
116.04726	7.3
117.05520	2.6
117.07018	7.1
119.08563	15.8
121.06490	4.4
121.10136	16.0
123.08069	4.6
123.11703	3.4
125.09633	31.6
127.07518	1.8
129.05478	24.1
129.06920	6.2
131.08598	8.8
133.06488	1.1
133.10118	12.9
135.08032	5.2
135.11688	9.5
137.09575	6.2
138.22197	1.3
143.07016	6.1
143.10655	3.3
145.10150	10.9
147.08040	2.9
147.11723	6.7
149.09650	5.9
149.10718	1.3
149.13301	1.9
151.11171	2.9
153.09103	2.6
153.12733	3.5
155.08571	1.9
155.10638	7.5
157.08612	11.6
157.10124	5.3
158.05746	3.2
159.11708	1.6
163.11198	13.2
165.09029	1.3
165.12816	1.7
171.06512	3.5
171.10095	3.6
173.04434	2.2
173.09557	2.6
173.10229	1.8
173.11736	23.9
175.11159	4.4
177.12769	1.4
181.12250	5.2
183.13660	1.4
185.11678	2.1
189.11226	5.2
191.10648	3.9
193.12276	6.9
199.09669	2.7
199.13297	14.6
200.14030	3.3
201.14844	1.4
207.17421	3.1
209.11728	17.1
211.13329	5.3
213.14708	1.2
216.43575	1.3
217.14285	2.4
223.13268	1.6
227.12749	18.1
229.14349	62.7
241.14297	2.8
242.15259	1.5
243.15884	1.9
255.15889	3.4
257.13776	2.5
262.96939	1.6
265.14484	2.6
267.15918	9.6
269.17407	4.2
283.15417	16.5
283.18533	1.7
284.16016	2.5
285.16922	1.9
287.18481	1.5
301.16476	38.1
301.19888	2.6
302.16592	1.7
315.18030	4.6
326.24524	2.6
353.23035	1.7
383.24066	4.3
397.25757	3.9
403.24670	1.5
421.25784	5.0
423.27234	2.2
437.25238	3.3
438.25986	4.2
443.26102	3.8
451.26260	2.2
455.26224	36.2
456.26688	1.7
459.27231	4.5
469.27753	4.6
477.28488	9.5
483.29471	1.8
495.29352	8.0
509.30731	4.1
527.32397	6.5
541.29913	22.8
542.30042	2.7
559.30963	15.7
676.41870	1.9
756.37732	2.8
757.36035	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	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86158	0.9
55.01871	3.1
55.05507	11.9
57.03438	8.4
67.05502	16.3
69.03428	2.1
69.07072	3.6
69.79583	3.5
71.04998	2.1
74.17890	1.0
79.05489	15.5
81.03414	42.9
81.07053	14.3
82.07367	1.1
83.04982	3.3
83.08620	12.4
85.02904	1.3
85.06562	1.0
91.05470	12.9
93.07040	12.4
94.99820	1.0
95.04966	18.8
95.08604	7.0
97.02874	1.2
97.06518	2.4
97.10175	11.5
98.22782	1.5
105.07037	10.9
107.04948	13.4
107.08572	9.3
109.06517	8.1
109.10147	4.0
111.08087	3.8
115.05463	1.6
117.07034	4.4
119.04954	1.6
119.08560	10.8
121.06494	8.7
121.10110	8.3
123.04403	1.0
123.08062	3.2
125.03902	1.0
125.09612	11.3
129.06984	7.7
131.04958	1.8
131.08554	10.1
133.06537	4.3
133.10118	4.2
135.08064	5.4
135.11726	2.0
143.08540	1.9
145.06464	5.7
145.10130	3.2
147.08055	4.7
147.11667	6.0
149.09564	5.4
153.09114	2.3
155.08575	2.6
157.06532	1.7
157.10120	5.4
159.08047	1.6
159.11778	1.2
161.05986	1.9
161.09598	1.5
163.11171	2.5
165.12627	1.1
167.08539	1.2
167.10654	1.2
171.08054	2.3
171.11598	1.5
173.09679	1.3
175.11197	5.9
177.12726	1.6
185.09621	1.3
187.11238	1.3
189.11205	5.0
189.12691	2.1
193.12250	15.7
197.13306	1.9
199.11206	1.8
205.12195	1.2
213.12859	1.2
215.14307	2.1
217.12210	1.3
219.13812	1.7
227.12730	3.1
231.13982	1.2
233.15468	2.4
235.13385	1.1
237.12656	1.7
255.13812	3.0
267.15887	32.9
268.15982	1.0
273.14825	5.8
293.17365	1.7
294.18033	1.1
339.23111	3.7
349.21664	4.7
357.24316	1.6
367.22696	12.6
385.19037	1.5
385.23712	20.7
403.24579	7.6
441.26337	10.2
459.27396	100.0
460.27734	3.7
477.28461	94.4
478.28610	4.6
491.30106	12.4
501.28305	2.3
509.31335	5.6
541.33453	1.8
567.29205	1.9
724.28021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
53.23708	1.1
55.01868	2.6
55.05261	1.9
55.05512	27.8
56.55479	1.3
57.03438	12.3
59.04998	28.1
61.02932	2.9
65.03947	1.7
67.05504	100.0
69.03431	5.0
69.07069	10.1
69.48042	4.2
71.04993	35.0
72.71504	1.4
79.05492	24.7
81.03423	6.4
81.07057	82.0
83.04991	6.4
83.08620	12.9
85.02900	6.0
85.06541	10.6
87.04465	28.5
91.05479	24.5
92.82188	1.4
93.07048	21.3
95.04952	6.2
95.08597	12.0
97.02876	3.2
97.06527	5.9
97.10168	11.5
99.04446	10.4
101.77208	1.4
103.05548	1.4
105.07033	11.2
107.04941	3.2
107.08603	18.3
109.06531	1.9
109.10156	57.1
111.08072	4.6
117.06991	4.2
119.08598	8.3
119.09383	1.5
121.06564	1.5
121.10121	5.8
123.11700	12.9
125.09636	8.8
127.03877	2.0
129.07002	2.0
131.08554	4.4
131.73767	1.3
133.10126	16.9
133.34386	1.3
134.09583	1.3
135.08041	1.6
135.11708	6.6
137.09552	2.4
149.09637	1.6
149.13322	6.4
151.11200	7.9
155.10645	3.5
159.11679	4.8
163.11269	2.1
173.04504	1.5
173.11789	12.8
177.12766	3.3
183.13814	5.3
187.13243	6.8
193.12318	1.3
195.13879	4.5
199.13303	4.6
209.11665	1.8
213.14899	2.2
225.14871	1.5
227.12732	2.6
229.14345	22.0
241.14333	2.9
243.15947	3.0
245.35822	1.3
257.17523	2.0
267.15973	4.2
269.17416	9.9
283.15448	2.4
301.16711	1.3
301.20078	21.3
315.18085	6.6
329.19479	3.3
367.24750	10.2
397.25845	80.5
398.26218	3.5
411.27466	9.1
423.27377	14.3
435.27396	2.5
443.29990	9.4
451.26929	5.9
455.30002	58.2
456.30154	2.8
463.30563	2.4
483.29507	7.1
527.31860	1.8
541.33856	1.6
559.34723	5.6
653.29016	3.0
745.88269	1.6
756.41669	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	756.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01861	4.5
55.05269	1.8
55.05512	30.2
57.03440	14.3
59.05000	26.5
61.02931	1.8
65.03931	3.4
67.05501	100.0
69.03415	4.2
69.07078	9.9
71.04990	40.7
71.43410	2.0
73.02918	2.5
79.05486	26.5
81.03420	8.1
81.07053	86.1
81.92966	1.7
83.04962	8.5
83.08625	12.7
85.02891	7.4
85.06547	13.1
87.04462	29.6
91.05482	30.8
93.07040	24.7
95.04949	6.0
95.08591	16.7
97.02882	4.9
97.06509	6.2
97.10166	19.8
99.04463	15.6
105.07012	10.6
107.04924	2.6
107.08582	22.2
109.02851	2.0
109.06493	3.9
109.10149	55.8
111.04398	3.1
111.08060	5.7
117.07024	5.2
119.08536	7.6
121.06509	2.5
121.10130	7.8
123.11691	13.9
125.09630	12.8
127.03882	3.3
131.08577	4.7
133.10123	19.3
135.11674	6.8
137.09612	3.6
139.11266	1.8
145.10100	2.8
147.11726	1.7
149.09573	2.4
149.13246	7.2
150.13371	1.7
151.11162	8.9
155.10637	3.9
157.10103	2.0
159.11673	8.2
163.11110	2.9
169.12256	2.4
170.06131	1.6
173.11711	11.5
177.12726	3.8
181.12144	2.1
183.13803	5.4
187.13263	8.1
195.13785	5.0
199.13202	8.1
201.14847	2.6
209.11713	3.9
213.14795	2.6
223.13240	2.7
225.14896	1.6
227.12766	5.8
229.14291	22.2
241.14276	5.3
243.15848	3.2
257.13739	2.0
257.17447	3.6
267.15875	5.4
269.17392	9.0
283.15625	1.6
301.20032	26.1
315.17889	11.6
329.19562	3.0
331.26111	2.1
367.24667	15.5
397.25836	86.0
398.26089	4.1
411.27386	13.3
423.27414	14.2
425.29031	2.1
435.27213	2.3
437.33743	1.9
443.29868	10.6
451.26685	9.0
455.29977	60.8
455.36234	3.4
456.30112	2.6
461.28967	3.1
473.36490	2.0
477.28845	1.7
483.29504	11.3
497.18277	2.2
497.32043	1.6
509.31027	2.0
527.32233	3.6
541.33826	3.1
559.34949	5.4
675.26227	6.4
756.37653	2.6
757.39392	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	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01873	7.7
55.05260	1.2
55.05509	16.7
57.03439	8.4
57.07065	1.5
61.02933	4.5
63.80334	0.9
65.03922	1.8
67.05504	62.4
67.32351	1.1
68.05808	1.1
69.03429	5.5
69.07068	16.9
69.37133	1.8
69.37540	2.8
71.01339	1.0
71.04998	5.6
73.02899	2.7
77.03915	1.1
79.05493	41.0
81.03415	9.8
81.07056	76.2
83.04983	10.7
83.08622	10.9
83.62465	1.0
85.02895	6.1
85.06538	5.2
87.04439	1.0
91.03960	2.0
91.05478	47.1
93.07045	49.3
95.04958	11.7
95.08603	21.6
97.02888	4.0
97.06532	8.1
97.10163	2.0
99.04453	1.9
99.08087	2.3
103.05453	1.4
105.03446	1.0
105.04487	2.7
105.07028	37.2
107.04984	4.9
107.08595	36.4
107.09120	0.6
109.06516	6.5
109.10152	35.2
111.08079	3.9
113.06011	2.1
115.07576	0.9
117.07021	8.3
117.63519	0.9
119.08585	9.7
121.06513	6.3
121.10139	11.1
123.08058	3.3
123.11706	9.4
125.09620	2.7
127.03917	1.4
127.07566	2.3
128.06207	1.7
129.06993	2.8
131.08566	12.4
133.06499	3.1
133.10127	58.9
135.08080	6.1
135.11684	8.2
137.09563	1.3
143.08559	3.4
145.10144	5.4
147.08035	2.9
147.11687	3.7
149.09612	5.1
149.13274	7.8
151.10048	1.4
151.11189	21.9
155.08519	1.3
157.10167	3.2
159.11708	6.0
161.08339	0.8
161.09625	5.0
161.13217	2.5
163.11198	2.2
167.14326	0.9
169.12254	4.1
171.11670	2.1
173.13251	1.1
175.11198	1.4
177.04636	1.0
177.09174	1.7
177.12735	3.2
179.10712	1.5
195.13728	8.2
211.13338	1.3
213.14845	1.3
215.12895	2.4
231.30391	1.0
245.18907	2.2
251.12665	1.5
253.14345	100.0
253.59659	1.0
254.14793	2.6
255.17555	1.9
258.38370	0.9
261.22025	1.3
263.19934	1.2
267.15857	1.4
269.17484	49.2
273.18515	15.8
275.19974	1.2
291.19507	15.4
299.14883	4.1
315.19345	2.0
335.25644	3.2
347.22147	6.3
365.23224	25.8
441.18927	1.2
447.27267	2.6
461.28650	1.2
463.26849	2.0
465.20984	5.3
465.28387	24.2
466.28244	1.3
467.17889	1.0
479.29919	2.8
507.76620	1.1
533.27124	2.4
541.35352	8.7
559.36285	70.0
560.36401	4.2
577.37073	2.2
715.96222	1.1
757.41223	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75242	1.5
53.03938	4.6
54.91335	1.3
55.01867	9.0
55.05510	20.9
57.03437	11.6
57.07090	2.3
61.02921	2.7
65.03934	4.5
67.05507	74.1
69.03423	5.2
69.07072	24.6
71.04995	7.1
71.08637	1.5
77.03921	1.8
79.05044	2.5
79.05490	44.1
80.05811	1.5
81.03418	7.1
81.07057	85.2
82.07406	2.0
83.04984	12.8
83.08614	11.9
85.02906	4.7
85.06539	7.7
87.04499	1.3
91.05482	60.0
92.05804	2.3
93.07044	59.6
94.07368	1.8
95.04958	15.9
95.08604	27.0
95.09210	1.6
96.08952	1.3
97.02855	3.2
97.06531	11.5
97.10159	3.5
99.04454	2.8
99.08089	2.7
105.04475	2.2
105.07022	42.6
106.07359	3.1
107.04946	6.1
107.08596	43.8
109.06522	7.8
109.10159	43.7
111.08095	7.0
113.06031	2.7
117.06989	13.0
119.08588	14.6
120.08965	1.8
121.06499	7.5
121.10146	14.9
123.08051	4.8
123.11699	7.2
125.09692	1.7
127.07574	2.3
129.06975	3.8
131.08553	14.1
133.06505	3.0
133.10129	64.5
134.10422	2.2
135.08051	6.2
135.11673	8.2
137.09628	3.3
138.66241	1.5
139.07567	1.9
143.08549	5.8
145.06448	1.4
145.10106	6.4
147.07956	2.5
147.11671	5.2
147.12730	1.4
149.09648	6.7
149.13261	15.6
151.11177	28.0
152.11543	1.8
157.10143	3.8
159.07973	1.8
159.11688	9.8
161.09605	7.7
161.13258	2.2
165.08849	1.3
169.12250	5.3
171.11665	4.0
173.13272	1.6
175.11186	1.9
177.12743	6.8
189.12685	1.8
195.11934	1.3
195.13818	5.8
212.26126	1.3
215.12761	3.1
245.18935	3.9
251.12677	3.9
253.14337	100.0
255.17467	2.0
259.20639	2.6
263.19901	3.7
267.15848	1.5
269.17465	51.4
271.20386	1.5
273.18469	28.2
281.17432	2.2
282.17548	1.6
291.19547	29.0
309.20566	2.1
347.22168	11.1
365.23184	23.4
366.23434	2.2
414.36313	1.7
463.26804	2.6
465.28531	37.3
466.28619	2.5
541.35083	14.4
559.36304	88.9
560.36523	5.1
577.37665	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01870	4.9
55.05509	18.8
57.03434	11.7
57.07068	1.3
59.04988	1.1
61.02911	1.7
65.03224	0.5
65.03941	2.0
67.05500	43.2
68.05794	0.9
68.93096	0.6
69.03422	6.7
69.07063	28.5
69.09378	0.5
71.04990	4.0
71.08614	0.5
73.02901	1.3
79.05487	28.5
81.02988	0.8
81.03396	4.2
81.07053	48.8
82.07391	0.7
83.04975	5.8
83.08615	12.5
85.02898	2.2
85.06548	3.1
91.03939	0.7
91.05473	19.5
91.28522	0.5
93.07039	37.2
95.04958	8.3
95.08601	15.2
97.02889	6.7
97.06527	7.3
97.10164	9.7
97.10753	1.0
98.97607	1.0
99.04467	0.8
99.08092	1.4
105.04523	1.8
105.07019	11.5
107.04942	5.3
107.08584	23.2
109.06511	3.0
109.10144	8.0
111.08076	5.3
112.70394	0.6
116.16947	0.5
117.07020	7.9
119.04930	1.0
119.08564	7.5
121.06488	3.2
121.10136	11.1
123.08054	2.5
123.11725	1.2
125.09613	6.5
127.03941	1.0
128.06282	0.8
129.06982	3.3
131.08566	9.7
133.06500	1.7
133.10097	6.9
134.07259	0.7
135.08051	3.6
135.11667	5.4
137.09608	2.5
143.08568	1.9
145.06493	1.2
145.10083	4.5
147.08040	3.9
147.11664	3.9
149.09650	1.4
149.13245	15.0
151.11150	0.9
155.08531	0.9
157.10123	2.5
159.11685	8.9
161.09639	2.3
162.10310	0.7
163.11180	2.2
165.09111	1.1
169.12276	0.8
171.11676	1.2
175.11177	2.1
177.12724	4.3
185.13196	0.7
187.11203	0.7
189.11235	2.4
193.12230	0.9
195.13753	6.6
205.12292	1.1
213.14864	1.1
223.13277	11.1
227.12805	4.7
229.14388	0.9
245.19115	0.9
249.14809	2.4
251.16469	0.7
253.14441	0.8
267.15964	2.5
269.17450	66.9
270.17853	2.2
273.18491	11.1
275.19925	0.8
283.15518	0.6
291.19516	72.5
292.19888	2.3
293.05426	0.7
309.20657	0.8
321.04770	0.7
347.22287	2.1
349.23605	0.9
365.23196	30.0
366.23584	1.4
413.17966	4.2
439.27045	2.0
461.28998	2.4
479.29944	1.9
501.32178	0.7
506.20816	0.6
541.35254	4.5
559.36261	100.0
560.36664	8.3
577.37347	1.4
585.28668	11.5
635.76227	0.7
693.33325	0.8
707.08826	0.7
757.39868	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01869	6.0
55.05259	1.5
55.05511	19.5
55.28512	1.0
56.49590	0.8
57.03438	9.3
57.07072	1.9
60.08161	0.8
61.02919	3.3
65.03938	2.3
67.05507	56.0
69.03428	5.2
69.07068	28.4
71.05000	5.1
73.02911	1.7
79.05494	37.9
79.83758	1.0
81.03424	8.2
81.07059	65.4
82.07410	1.0
83.04984	7.1
83.08188	1.2
83.08633	12.9
85.02908	3.4
85.06537	3.3
86.09716	0.8
91.05478	33.5
93.07046	45.4
95.04967	9.8
95.08611	19.3
97.02911	5.4
97.06528	8.4
97.10165	6.1
99.04446	1.7
99.08086	2.1
103.05507	1.1
105.04495	1.5
105.07030	27.2
107.04942	6.0
107.08592	33.8
108.23045	0.8
109.06528	4.4
109.10154	22.0
110.10455	0.9
111.04445	1.6
111.08080	6.7
113.06001	1.4
115.05463	0.9
117.07008	9.9
119.04964	1.1
119.08582	14.0
121.06521	6.6
121.10146	12.7
123.08044	3.5
123.11704	4.7
125.05947	1.0
125.09617	5.7
128.06306	1.1
129.06985	3.2
131.08577	14.9
133.06497	4.7
133.10126	32.1
134.10548	1.1
135.08107	5.7
135.11674	7.6
137.09630	2.4
139.11171	1.6
141.06987	0.9
143.08554	2.9
144.86798	0.9
145.06564	1.4
145.10133	6.7
147.08058	5.6
147.11670	4.1
149.09595	4.6
149.13260	12.8
151.11191	13.4
157.10107	2.6
159.08049	1.9
159.11671	10.0
161.09634	5.4
163.11192	2.6
169.10161	1.2
169.12234	2.9
171.11665	2.0
173.09648	0.9
173.13301	0.9
175.11208	3.4
177.09142	1.3
177.12758	4.4
177.99292	0.9
179.10634	1.3
184.07327	4.5
185.13290	1.4
187.11244	0.9
189.11218	1.4
193.12294	1.5
195.13744	6.5
210.70674	0.9
215.12721	1.7
223.13217	8.1
227.12691	3.7
227.17969	1.0
245.19014	3.9
249.14929	1.9
251.12796	2.0
253.14339	34.8
254.14859	1.1
255.17560	1.7
267.16037	2.5
269.17468	50.5
270.17816	1.1
273.18478	25.4
273.21396	1.7
275.20013	1.8
283.15305	1.6
291.19537	51.0
292.19888	1.7
309.20407	2.0
347.22113	6.1
351.24780	0.9
365.23245	31.7
383.37399	1.0
461.28726	1.6
463.26578	2.1
465.28427	13.4
479.29636	2.1
501.32248	0.9
520.79156	1.1
541.35229	9.5
557.19354	0.9
559.36285	100.0
560.36627	6.1
577.37170	1.4
586.28766	1.3
756.37408	1.6
757.42157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2188
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01866	0.3
55.05499	0.6
57.03436	1.8
61.02914	0.5
65.03944	0.2
66.98449	0.1
68.86697	0.2
68.99804	0.4
69.03441	1.6
71.01341	0.3
71.04993	11.8
73.02910	0.9
75.04465	0.4
81.03417	0.9
82.31824	0.2
83.04982	2.7
85.02905	17.0
87.04462	0.5
91.03977	0.3
91.05488	0.4
94.73747	0.2
95.04951	0.6
97.02895	1.4
99.04447	0.6
101.06081	0.2
103.03961	0.2
107.04959	0.2
109.02856	0.8
111.00782	0.7
111.04440	1.8
113.06004	0.3
117.05491	0.4
121.02841	0.9
123.04402	0.2
127.03925	1.1
129.04572	0.3
129.05486	4.5
129.06445	0.3
135.04388	0.2
137.02324	2.0
139.03889	0.4
145.04968	0.6
147.06519	1.8
149.02351	0.4
149.05879	0.2
151.03972	0.2
153.01817	2.3
153.05475	0.7
157.05035	0.3
161.05995	0.2
163.03891	0.5
163.06026	0.7
165.01848	1.7
166.02507	0.2
171.06520	0.3
173.06088	0.2
183.02914	0.6
201.05450	0.9
201.07425	0.3
205.05151	0.2
213.05441	0.2
219.10149	0.4
221.33325	0.2
229.04948	2.7
239.09106	0.9
247.06029	0.6
255.08775	0.2
257.04425	2.4
257.10220	0.3
274.04691	0.6
275.05505	0.3
275.11169	0.3
285.03931	1.0
287.05542	0.2
302.03809	0.2
303.04974	100.0
304.05338	3.0
315.04904	0.2
345.06107	0.6
369.06042	0.3
371.16769	0.3
413.08047	0.2
431.10263	0.2
449.10876	0.9
465.10257	2.3
485.10870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.05884	0.2
55.01863	0.5
55.05510	1.6
57.03436	1.1
61.02925	2.9
67.05502	4.9
69.03428	1.7
69.07062	2.2
70.61780	0.3
71.01384	0.2
71.04995	0.5
73.02917	2.6
74.28522	0.2
79.05489	4.4
81.03414	2.1
81.07054	5.5
83.05002	1.1
83.08633	0.6
83.36230	0.3
85.02904	2.8
85.06548	0.3
86.09747	0.3
87.04510	0.4
91.03947	1.7
91.05468	4.0
93.07043	4.2
95.01334	0.5
95.04962	1.6
95.08595	3.1
97.02889	2.9
97.06544	0.8
99.04464	0.5
101.02373	1.1
105.04512	0.3
105.07033	4.4
107.04967	1.2
107.08585	2.1
109.02868	0.5
109.06483	0.3
109.10192	0.5
116.08874	0.3
117.07028	1.1
119.08569	2.3
121.06524	0.4
121.10139	0.7
123.08080	0.5
125.09547	0.3
127.03912	0.7
129.07021	0.8
131.08580	0.9
133.10104	1.9
135.11716	1.0
143.08571	0.7
145.10097	1.5
147.08105	0.4
147.11694	2.2
149.09659	0.9
149.13304	0.5
159.11755	0.7
161.09596	0.4
161.13330	0.9
163.11172	1.0
164.75720	0.3
171.11745	1.0
179.14346	0.7
185.04247	0.4
203.05220	0.4
207.13855	0.3
227.13019	0.4
243.08374	2.7
247.13158	1.0
275.20230	0.7
283.15469	0.5
285.18372	0.3
301.16461	0.3
303.15964	0.4
315.19281	2.7
316.20047	0.3
335.26031	1.1
371.22134	1.0
399.40347	0.3
425.46359	0.3
465.20944	8.3
466.21335	0.4
472.97922	0.3
507.24643	0.3
533.27240	6.0
534.27643	0.4
543.36975	0.7
561.37726	0.6
595.36237	0.6
757.41278	100.0
758.41663	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	757.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01294	0.1
57.07074	0.9
58.07410	0.2
67.01630	0.4
68.02403	0.4
69.78165	0.3
69.78481	0.2
73.82872	0.2
78.45394	0.1
80.15162	0.1
83.01104	1.3
87.04465	0.2
88.04794	0.1
89.06033	1.0
89.30830	0.1
90.06358	0.2
91.06470	0.3
95.04729	0.3
96.05511	0.1
97.02654	0.3
98.03477	0.4
98.23447	0.3
110.03373	0.1
111.04207	3.3
112.05010	0.7
121.06526	0.3
122.35478	0.1
125.05789	0.3
126.06564	0.3
126.47811	0.1
127.03677	2.2
133.08623	0.6
134.08942	0.3
139.07312	0.6
140.08047	0.2
141.05168	0.6
142.06036	0.7
153.50980	0.1
155.06781	3.4
156.07619	0.7
169.08414	0.4
170.09184	0.3
171.06305	1.9
176.07889	0.2
183.09853	0.9
184.10742	0.3
185.07939	0.4
186.08681	0.3
199.09413	3.0
200.10260	0.4
213.11028	0.4
214.11824	0.3
215.08925	1.1
216.09673	0.2
227.12611	0.9
229.10579	0.3
230.11404	0.2
243.12077	2.6
257.13684	0.5
259.11545	0.8
271.15134	1.4
273.13184	0.4
274.13727	0.2
278.22073	0.2
279.22437	0.2
287.14603	1.6
303.14197	0.6
315.17670	0.7
318.36142	0.2
321.05099	0.3
331.17258	2.0
347.16739	0.8
359.20447	0.3
375.19916	0.7
391.19403	0.7
419.22495	1.6
429.52200	0.1
435.21918	1.0
447.26025	0.2
463.25293	0.4
479.24667	0.7
507.27893	1.2
523.27264	1.0
551.30328	0.3
645.33777	0.2
647.69409	0.2
685.37762	0.7
757.47040	100.0
758.47357	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	757.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01855	0.5
55.05511	1.0
57.03442	1.7
57.07074	2.5
59.05000	0.6
61.02928	4.8
65.22307	0.3
67.05502	2.0
69.03425	2.3
69.07072	1.1
71.01344	0.4
71.04991	1.2
71.08627	2.1
71.93192	0.2
73.02914	3.3
74.68527	0.3
79.05482	1.3
81.03421	3.5
81.07056	2.8
83.08612	1.4
85.02908	4.2
85.06564	0.5
85.10194	1.0
87.04454	0.5
91.03951	3.1
91.05465	1.8
93.07053	1.3
95.04986	0.8
95.08602	1.9
97.02890	3.2
97.10187	0.5
98.22600	0.5
99.04463	0.8
101.02383	1.7
103.03922	0.4
105.07042	1.1
107.04906	0.3
107.08624	0.8
109.02886	0.9
109.06535	0.4
109.10174	1.0
111.08077	0.4
111.69367	0.3
115.03978	0.6
119.08626	1.0
121.10188	0.8
123.08154	0.3
123.11784	0.4
127.03927	1.2
129.07007	0.4
131.08623	0.7
133.10161	0.6
145.04950	0.3
147.11713	0.8
149.09621	1.4
157.10135	0.6
175.11227	0.7
185.04271	0.5
193.12265	1.2
203.05275	0.5
225.14980	0.8
239.23637	0.3
243.08368	3.1
267.16095	0.8
283.15103	4.1
308.10522	0.3
313.27286	1.5
339.17728	0.9
469.20148	0.4
497.30930	6.8
501.23026	12.4
502.23483	0.5
561.42017	0.3
595.41412	0.5
683.38885	0.4
757.47028	100.0
758.47394	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	758.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
54.97866	0.2
55.01867	1.1
57.03434	1.5
57.71030	0.2
59.27417	0.2
61.02913	0.6
68.40617	0.2
68.99776	0.5
69.03428	3.4
69.91341	0.7
71.04975	0.5
71.74422	0.2
72.21023	0.2
73.02917	1.8
81.03416	2.7
85.02404	0.4
85.02905	7.3
87.00838	2.4
91.05436	0.4
92.24556	0.2
95.04995	0.2
97.02888	4.1
98.67909	0.2
99.04460	1.2
103.05428	0.3
105.01862	3.5
109.02879	2.3
111.04407	0.2
115.03942	1.8
115.05463	0.6
117.01872	0.3
117.07014	0.4
121.10097	0.3
125.02333	0.6
127.03024	0.4
127.03908	4.8
128.06213	0.9
129.01846	0.4
129.07001	3.8
131.04924	0.7
131.08562	4.8
132.06493	0.2
133.04967	0.4
137.05974	3.7
141.06998	2.7
143.04910	0.5
143.08588	1.2
144.05721	0.6
145.04976	1.7
145.06476	0.6
146.07285	0.3
147.02902	0.3
148.05087	0.3
151.03824	0.4
151.07547	1.5
153.01814	0.2
157.06480	3.7
158.07269	1.5
159.02959	1.1
159.04070	0.2
159.08057	5.2
160.05190	0.3
161.04446	1.9
161.05847	0.5
161.09636	0.8
162.06766	0.4
163.07538	0.6
169.05077	0.3
169.06451	2.1
169.07709	0.3
170.07254	0.9
171.08063	1.8
173.05833	0.2
174.06763	9.2
175.07541	3.6
176.08153	0.2
177.09055	0.3
177.76894	0.2
186.06773	1.9
187.07536	0.9
188.08296	0.8
189.09103	23.0
190.09492	0.8
191.07028	0.3
191.10695	2.3
201.03963	0.8
201.09102	8.2
202.09593	0.3
203.10663	12.9
204.10986	0.4
207.10216	0.6
213.04008	0.6
213.23807	0.2
217.08665	0.3
219.10153	100.0
220.10510	2.9
221.11757	1.9
231.04913	1.4
231.08073	0.3
237.11186	3.2
241.07027	0.2
243.10335	0.2
246.83911	0.2
247.04489	2.4
249.06032	0.6
263.10718	0.2
265.05508	2.0
273.06018	0.3
291.10196	0.4
293.11511	0.3
303.05051	1.4
304.05392	1.1
309.10995	0.2
325.14435	0.7
341.13773	0.7
343.14816	0.2
371.09622	0.5
379.87640	0.2
419.13095	0.3
433.16602	0.2
437.14722	0.3
449.14639	0.4
467.15552	3.1
468.15787	0.3
496.52625	0.2
537.17383	0.2
555.18433	0.5
604.14880	0.2
654.12500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01867	1.2
55.05507	0.8
56.18508	0.2
57.03435	1.7
57.07082	0.5
57.62948	0.3
60.04496	0.3
61.02925	3.0
67.01864	0.6
69.03428	8.4
69.07074	0.4
71.04998	1.1
73.02915	1.2
79.05493	1.6
81.03421	2.7
81.07058	0.6
82.25836	0.3
83.01341	0.6
85.02904	38.7
85.40263	0.2
85.60880	0.2
87.04465	0.9
91.03953	2.1
93.07063	0.3
95.04965	0.6
95.08609	0.5
97.02891	10.5
97.06529	0.8
98.49976	0.3
99.04457	1.5
103.03956	0.4
107.04951	1.2
109.02878	3.5
109.06452	0.2
109.10143	0.3
115.03896	0.4
119.08649	0.3
121.02906	0.3
121.06534	0.6
121.10130	0.3
123.04434	0.6
125.05985	2.7
127.03915	11.6
131.08621	0.4
135.04407	2.9
135.08087	0.3
137.05931	0.6
139.03911	2.2
141.05476	0.6
145.04959	22.8
149.09641	0.4
151.03822	0.3
153.05463	100.0
154.05801	1.7
160.93274	0.2
162.07712	0.2
163.04637	0.5
163.06023	10.9
163.07462	1.0
163.14780	0.3
165.09196	0.3
167.07076	0.3
177.09154	0.7
180.08655	0.9
183.67825	0.3
191.14343	0.5
201.16432	0.4
214.35316	0.3
219.13728	1.8
219.17383	0.5
237.14844	18.3
238.15131	0.6
255.15903	44.5
256.16339	1.4
287.05432	0.3
289.09119	0.6
321.09869	0.3
325.11230	1.9
417.21155	0.7
594.66882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01876	6.1
55.05510	18.4
57.03436	10.4
57.07073	2.2
61.02926	3.3
65.03931	2.6
67.05503	61.6
68.05853	0.9
69.03414	4.7
69.07066	25.7
70.71501	1.0
71.01347	1.1
71.04997	6.7
71.08630	2.4
73.02528	0.8
73.02916	2.4
73.98068	0.8
77.03902	1.2
77.81348	0.9
79.05491	42.4
80.05833	1.0
81.03417	10.4
81.07055	81.3
82.07378	2.2
83.04981	9.3
83.08616	16.3
85.02893	4.8
85.06540	3.6
86.32482	0.8
91.03960	1.6
91.05475	32.1
92.05785	1.0
93.07043	58.2
95.04972	11.4
95.08603	23.9
97.02892	3.8
97.06520	14.7
97.10188	4.4
99.08092	4.6
105.04517	2.3
105.07027	20.0
107.04942	4.9
107.08591	39.2
109.02927	1.1
109.06520	6.4
109.10156	11.0
111.08095	6.9
113.06051	1.3
113.09651	2.2
117.07017	13.3
119.08575	16.3
121.06504	2.7
121.09277	1.2
121.10152	21.0
123.08096	2.1
123.11689	3.7
125.09629	3.6
125.44041	0.8
127.03904	1.5
127.07576	1.1
129.06970	2.5
131.08556	16.1
133.06516	0.9
133.10139	22.7
135.08049	4.7
135.11685	14.2
137.09575	1.9
139.11208	1.3
141.06938	1.1
143.08562	2.7
145.04834	0.9
145.10132	8.0
146.44130	0.9
147.08112	1.1
147.11710	7.3
149.09619	7.8
149.13242	22.8
151.11234	5.1
155.08519	1.4
157.10138	3.2
159.11688	16.2
161.13266	2.5
163.11153	5.9
165.12827	1.2
167.10382	0.8
169.10310	0.9
171.11784	1.9
173.04427	2.1
173.13303	2.5
175.11140	2.3
177.12785	6.0
179.14349	5.0
183.11681	1.9
184.07309	2.0
193.12308	2.1
195.13791	10.8
197.13297	1.5
211.13159	2.0
213.14937	1.0
227.12709	4.8
233.40594	1.1
249.10942	1.1
249.80823	0.9
251.16484	2.9
253.14348	8.0
255.15800	5.9
257.19003	4.0
267.15903	2.4
269.17465	71.8
270.17859	3.3
271.15353	1.2
273.18286	1.4
275.20078	17.5
276.20288	1.1
277.21619	2.8
285.16962	3.0
291.19882	1.2
293.21240	1.6
299.06155	1.0
331.22675	1.7
349.23715	15.6
350.23904	1.2
351.25250	1.9
365.23178	1.6
367.24789	3.2
398.75708	1.0
413.21576	2.2
423.27216	1.5
439.26962	1.5
445.29501	2.2
447.31390	1.2
449.23843	1.2
449.29141	21.2
450.29404	1.7
463.30530	100.0
464.30878	8.4
479.29892	1.3
503.34161	1.2
525.35748	1.1
533.27100	1.9
543.36810	35.4
544.37030	3.2
561.37964	16.7
607.34363	2.7
759.39063	14.6
776.99744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01868	7.9
55.05247	2.3
55.05508	19.9
57.03435	13.4
57.07055	1.8
61.02928	3.3
65.03934	2.6
67.05505	70.5
67.44205	1.3
69.03435	6.2
69.07069	31.8
71.04992	6.5
73.02930	1.5
77.03950	1.6
79.05490	44.9
81.03425	10.1
81.07054	100.0
83.04988	9.6
83.08624	20.4
85.02909	5.1
85.06552	5.6
91.03964	2.0
91.05476	34.0
93.07046	73.5
94.07341	1.4
95.04958	13.5
95.08604	30.9
97.02900	4.6
97.06533	20.7
97.10183	4.5
99.08108	4.7
100.59638	1.1
105.04520	2.2
105.07029	27.8
107.04947	7.6
107.08592	40.2
109.02896	1.3
109.06517	8.1
109.10153	10.5
111.08061	8.0
113.09666	4.0
117.07020	17.7
119.08578	18.4
120.30778	1.3
121.06512	5.7
121.10139	22.6
121.10983	1.8
123.08118	2.8
123.11694	3.6
125.09644	5.1
127.03951	2.4
129.07018	3.9
131.08568	18.7
133.06461	1.4
133.10129	22.5
135.08047	4.8
135.11697	13.2
137.09601	2.3
139.11124	2.1
143.08597	3.7
145.10141	12.1
147.11670	9.9
149.09634	11.1
149.13263	30.9
151.11194	2.8
157.10141	3.0
159.11688	20.5
161.13313	3.4
163.11150	6.9
169.10088	1.5
171.11737	2.7
173.04460	2.0
173.13268	3.6
177.12743	6.8
179.14317	2.7
181.12198	1.2
183.11775	1.7
184.07422	2.0
187.11229	1.3
189.11099	1.3
195.13774	10.6
197.13306	1.7
227.12802	6.1
229.19431	1.3
239.17908	2.6
251.16338	1.5
255.16008	5.0
257.19009	6.2
259.20566	1.6
267.15997	2.0
269.17462	78.9
270.17776	1.9
275.20053	25.6
285.16833	2.0
287.18460	2.3
317.30920	1.4
331.22638	2.3
333.24359	1.5
349.23761	19.1
365.23361	1.8
367.25027	1.6
423.27319	1.7
439.26645	2.6
445.29523	1.7
449.28918	23.5
450.29095	2.4
463.30551	91.2
464.30933	4.9
503.33905	2.3
517.35553	6.5
525.35333	2.0
543.36780	45.1
544.36847	3.6
561.37933	15.5
607.34918	2.5
607.75159	1.4
759.38123	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	758.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.0
57.03434	7.2
61.02911	2.3
66.23135	1.9
67.05503	69.0
69.07062	7.5
69.48527	8.8
71.04989	24.8
76.77746	2.4
79.05492	38.1
81.07056	100.0
82.07380	2.5
83.04990	4.4
83.08614	8.0
85.06544	8.3
89.56823	2.1
91.05470	28.4
93.07046	43.7
93.32530	2.2
95.04971	4.8
95.08612	26.9
97.02914	3.0
97.06528	4.0
98.22581	2.6
100.64773	2.1
105.04600	2.3
105.07031	18.3
107.08581	26.7
109.10151	14.1
111.08099	3.7
117.07071	4.2
119.08591	8.2
121.10139	17.1
123.11704	18.0
131.08574	9.8
133.10139	21.7
135.11676	10.3
145.10147	5.7
147.11717	3.7
149.13313	5.8
151.11191	10.0
159.11688	5.3
173.13193	3.4
173.56047	2.2
183.13870	3.0
184.07417	3.8
187.13254	4.8
225.29155	2.3
257.17383	3.6
269.17545	7.3
301.20074	24.6
335.25757	23.6
411.33194	2.4
417.01263	2.4
485.36472	3.0
503.37302	84.6
504.37924	4.5
529.38995	18.5
561.41553	85.1
562.41852	7.2
613.44263	2.7
696.35840	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	759.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14139	0.9
57.03439	1.7
61.02912	2.8
67.05511	5.7
69.03434	2.3
69.07076	1.5
73.02925	3.2
79.05476	5.8
79.33556	1.0
81.03422	2.4
81.07058	4.5
85.02905	3.3
90.63706	0.9
90.90536	0.9
91.03966	2.4
91.05508	3.4
93.07042	4.4
95.04949	1.5
95.08607	3.1
95.26506	0.9
97.02906	3.8
99.20238	1.0
101.02424	1.2
102.85400	1.1
105.07039	2.8
107.08617	1.8
110.15938	0.9
110.34844	0.9
119.08597	2.5
121.10138	2.2
127.04044	1.3
128.06750	1.0
133.10197	1.2
134.91464	1.1
137.03667	1.1
145.10240	1.2
147.11682	1.8
171.11694	1.4
243.08418	3.1
293.21063	1.6
299.06299	1.3
301.09048	1.5
465.20840	7.9
535.28668	5.2
537.23291	1.3
545.39081	1.2
562.38153	2.6
625.89551	1.0
759.42847	100.0
760.43292	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	759.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
61.02936	3.0
61.54145	1.8
67.05509	4.7
69.03426	2.5
71.08636	1.5
73.02917	2.0
79.05508	4.7
81.07056	6.6
83.04979	1.5
85.02927	2.2
90.78526	1.3
91.03960	2.1
91.05484	2.8
93.07069	6.2
95.04960	2.6
95.08619	3.9
97.02893	3.7
98.01394	1.3
98.23526	1.9
99.08135	2.8
105.07050	3.5
107.08583	1.9
119.08614	2.2
120.21882	1.1
121.10127	1.1
121.90289	1.3
127.03851	1.4
129.07030	1.9
129.66353	1.2
131.13565	1.4
133.10132	1.3
135.11806	1.7
147.11723	1.8
151.11195	1.4
167.05513	1.2
171.11740	2.0
179.14362	2.2
188.54726	1.4
203.22380	1.3
225.98079	1.2
243.08565	1.9
253.44968	1.2
317.21027	3.9
335.56906	1.4
465.21014	11.1
466.21393	1.8
535.28973	7.0
649.46619	1.4
759.42896	100.0
760.43140	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	760.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01877	1.2
57.03427	0.7
61.02916	1.8
61.45024	0.5
69.03432	4.8
71.04972	0.6
71.43916	0.7
81.03423	1.7
83.01353	1.5
85.02404	1.2
85.02898	17.0
86.03248	0.7
91.03961	1.0
91.05459	4.7
93.03391	1.7
97.02896	5.0
109.02869	2.2
109.06508	1.5
110.25110	0.8
117.07046	0.8
119.08560	1.2
121.06459	1.5
123.04436	0.8
125.05984	1.2
127.03913	4.9
129.06999	9.2
131.08566	6.2
133.06450	2.9
134.77940	0.7
137.05931	2.9
139.03880	2.6
145.04951	8.4
147.08040	12.8
149.09610	2.2
151.03912	1.7
151.07526	1.5
153.01859	1.5
153.05487	3.7
157.06473	4.6
159.08046	56.9
160.08354	1.0
161.05966	27.9
162.06570	1.0
163.06035	2.6
165.05432	1.3
165.09111	5.9
173.50557	0.6
175.07539	19.0
177.05464	64.5
177.09062	24.7
178.05800	1.3
178.09595	0.7
179.07018	23.5
191.79311	0.8
193.08595	33.1
203.07037	2.3
221.08072	51.4
222.08382	1.1
239.09126	100.0
240.09457	2.3
257.10184	66.2
258.10587	1.3
287.05392	1.0
325.10818	0.9
418.86670	0.7
524.15356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01874	4.0
55.05511	21.5
57.03437	22.3
57.07071	3.0
61.02931	5.4
65.03946	4.1
67.05505	74.8
69.03439	5.7
69.07062	17.6
70.07401	1.9
70.07707	3.0
71.04998	6.0
73.02927	2.9
73.42342	1.7
75.71156	1.7
79.05492	53.0
79.05952	2.6
80.05782	2.2
81.03417	100.0
81.07056	81.1
82.07378	1.9
83.04986	8.0
83.08617	27.0
85.02915	5.6
85.06544	2.6
86.09719	6.0
91.03956	3.5
91.05479	44.2
91.23847	1.8
92.05765	1.6
93.07046	60.2
95.04963	32.4
95.05531	2.4
95.08607	56.1
97.02903	6.6
97.06539	5.1
97.10175	7.6
105.04550	3.1
105.07028	36.0
106.07448	1.9
107.04948	9.7
107.08591	33.3
109.06536	6.4
109.10159	26.0
111.04465	1.8
111.08105	6.9
115.05476	3.0
117.06987	8.3
119.04987	1.7
119.08578	34.6
121.06530	5.8
121.10137	27.8
123.08078	3.3
123.11683	8.0
125.00038	4.7
125.09663	5.0
129.07010	13.4
131.08566	26.6
131.09462	2.4
133.06480	3.7
133.10126	24.2
135.08075	2.7
135.11682	15.4
137.09683	2.3
137.13338	2.2
139.11206	3.2
142.07841	2.8
143.08586	3.8
145.10144	12.6
147.04424	2.0
147.08087	3.7
147.11688	18.8
149.09677	6.1
149.13242	9.6
151.11282	2.7
155.08583	2.2
157.10143	13.2
159.11737	6.2
161.13292	7.2
163.11238	3.7
163.14949	4.1
165.12735	2.1
171.11751	1.9
173.11845	1.9
173.13330	6.1
175.11143	9.6
175.14893	2.4
177.12880	1.8
183.11707	2.4
184.07353	30.7
184.08835	2.9
185.13261	2.0
185.50755	1.7
187.14871	4.9
189.11247	2.9
189.16522	1.8
193.12248	23.1
211.13220	2.7
213.12639	2.0
227.12747	9.0
229.14413	1.8
243.08472	3.1
243.15990	1.8
243.21182	6.1
261.22122	20.9
267.15906	98.5
268.16357	2.8
269.17551	1.8
273.22229	2.4
275.19910	1.5
279.23273	2.3
285.17035	2.6
289.21735	2.0
301.25369	5.2
309.17072	3.9
335.25790	86.7
336.26251	4.7
376.61642	1.8
390.56818	2.1
402.79312	1.5
435.27319	2.7
435.32813	5.0
453.33356	9.5
465.21289	2.8
466.21695	5.2
471.34866	5.8
505.35431	3.3
509.36707	1.9
518.27863	1.8
520.86163	1.8
527.37311	63.5
528.37915	4.8
531.36768	5.6
536.28931	2.0
545.38373	64.8
546.38739	4.0
563.39484	8.2
569.38483	5.3
635.40924	2.0
710.44037	2.3
760.43188	75.0
761.40942	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	760.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01879	3.3
55.05512	23.5
57.03439	13.1
57.07080	4.3
61.02930	9.0
65.37884	1.9
67.05507	100.0
69.03425	8.5
69.07069	31.9
71.01371	2.3
71.04993	26.5
71.08630	10.7
73.02914	3.5
79.05496	60.8
81.03430	17.4
81.07060	88.0
83.04990	12.6
83.08627	19.4
85.02896	5.0
85.06557	7.3
86.09703	5.5
91.03918	2.6
91.05476	51.2
93.07052	79.2
95.04969	16.2
95.08607	39.8
97.02915	7.0
97.06519	15.6
97.10194	8.7
99.04475	4.2
99.08101	9.6
104.10744	2.6
105.04536	3.4
105.07035	33.3
107.04977	5.8
107.08595	49.0
109.02855	2.6
109.06515	4.8
109.10165	33.7
111.04403	2.1
111.08083	6.8
115.05463	2.9
117.07035	16.9
119.08579	29.6
121.06519	3.5
121.10158	29.4
123.08102	3.8
123.11713	3.4
124.99941	2.2
125.09651	8.3
127.03935	2.5
129.07030	6.9
131.08589	21.9
133.10135	26.8
135.08005	2.8
135.11684	20.1
137.09651	8.2
139.11241	2.9
143.08591	5.8
145.10091	13.7
147.11679	17.8
149.09688	3.7
149.13263	27.7
151.11159	11.3
157.10143	9.0
159.11694	16.3
161.13239	12.2
163.11230	8.6
165.12811	3.1
169.10181	3.2
171.11694	7.2
172.81421	2.0
173.04655	2.3
173.11795	3.0
173.13206	4.6
175.14861	3.4
177.12778	3.9
179.14322	6.9
184.07324	19.5
185.13327	4.9
193.12184	2.3
195.13841	8.7
199.14944	2.5
211.13252	4.9
213.14781	2.9
227.12784	6.2
229.14346	3.7
236.44595	2.1
241.19414	5.5
243.08362	2.8
243.15985	5.3
249.81531	2.3
255.16069	2.4
259.20593	17.3
267.16049	2.6
269.17490	59.4
277.21579	13.4
283.15305	2.5
285.17032	5.0
287.18564	17.0
315.23224	4.5
333.24136	13.4
335.25781	6.2
351.25345	19.8
408.49838	2.2
446.47696	2.2
447.30969	4.9
453.20831	2.4
463.30548	87.7
464.30865	4.6
465.32346	3.1
487.34244	29.6
495.35114	2.3
513.35913	27.4
519.36938	10.7
527.37445	3.2
531.36670	6.3
543.14215	2.4
545.38379	48.0
546.38287	2.4
562.37769	2.7
563.39423	10.9
760.38983	19.1
761.40698	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	760.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
53.39778	0.6
55.01863	1.6
55.05511	18.3
57.03439	4.9
57.07077	3.5
58.93130	0.6
59.79511	0.6
61.02914	3.3
65.03936	2.0
67.05505	70.3
69.03431	2.2
69.07065	16.9
69.30946	3.1
71.04994	19.3
71.08646	0.8
73.02923	1.0
79.05493	18.8
81.07058	100.0
82.07378	1.3
83.04973	3.0
83.08625	8.8
85.02904	2.4
85.06541	8.2
91.05477	20.9
93.07043	20.1
95.04959	3.0
95.08608	31.0
96.08936	0.7
97.02868	1.8
97.06550	5.0
97.07085	1.1
97.10190	4.5
99.08077	1.8
105.04568	0.8
105.07034	10.6
107.08594	13.2
109.06541	1.6
109.10151	14.0
111.08092	2.8
117.06968	1.5
118.10851	0.8
119.08599	5.3
121.10146	6.5
123.08079	0.8
123.11706	14.4
131.08580	3.2
132.34241	0.7
133.10133	15.6
135.11732	5.8
137.13300	1.3
145.10040	0.8
147.11691	2.6
149.13254	4.1
151.11194	5.8
153.12863	1.0
159.11711	3.4
161.13235	1.7
163.14803	0.8
175.14838	0.8
177.12770	2.1
187.13304	2.7
195.13808	1.7
201.14833	0.9
227.16359	2.8
242.48856	0.7
257.17398	0.9
263.23621	1.5
269.17487	5.3
270.67224	0.7
301.20096	16.6
301.23395	0.5
302.20486	1.2
337.27396	19.7
338.27524	1.2
487.37466	1.5
505.38855	68.8
506.39417	5.1
519.40320	1.7
531.40424	13.0
563.43060	71.7
564.43555	6.1
580.66364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.2
55.01862	1.2
55.83418	0.5
63.94203	0.6
65.03931	2.1
66.21336	0.5
67.05508	1.3
68.37171	0.5
68.99787	5.7
69.03437	0.6
69.13457	3.4
73.54287	0.5
77.03923	0.9
79.05465	0.8
81.03399	4.3
85.02906	1.0
93.03390	0.8
95.04951	2.3
99.04501	0.7
105.03397	1.8
107.04954	0.6
108.02036	0.7
109.02871	13.5
111.00800	5.9
111.04409	1.6
119.04929	0.9
121.02882	2.3
121.06506	0.6
122.60229	0.6
123.04433	26.5
124.04768	0.6
127.03913	60.8
133.02846	5.5
135.04402	1.7
137.02357	0.7
139.03896	100.0
140.04248	1.1
141.05447	1.1
145.06479	0.9
147.04402	5.7
149.02335	6.8
149.05991	1.0
150.03123	2.0
151.03902	93.5
152.04289	1.7
153.01785	3.8
155.03384	34.9
156.03683	0.6
157.02913	0.6
157.06456	1.1
159.04445	1.7
161.05960	1.5
163.03905	7.7
165.05486	2.2
167.03401	7.5
167.04674	1.0
171.04431	2.3
173.05978	2.3
175.03900	9.3
177.05467	3.6
179.03386	30.6
181.05003	0.8
183.04370	0.7
185.05977	1.8
187.03900	0.9
189.05463	3.6
191.03386	7.5
193.04945	2.6
197.06100	0.8
199.03886	2.9
201.05466	4.9
203.03387	12.2
203.06911	0.6
205.04987	4.0
211.03908	0.8
213.05478	8.2
215.03441	0.9
217.04988	4.5
219.06572	1.8
225.05482	0.7
227.03418	1.3
229.05005	6.2
231.06563	2.6
233.04439	3.4
241.04909	5.2
243.06512	0.7
245.04478	12.0
247.06067	2.9
251.05507	1.3
253.04906	0.9
257.04410	11.2
258.04651	0.6
259.06058	6.6
261.03952	0.9
263.05487	12.0
263.08127	1.0
269.04401	6.0
271.06088	2.0
273.03937	0.7
273.07562	0.9
275.05493	16.1
277.07071	16.6
281.04492	0.9
287.05487	61.0
288.05972	1.4
289.07019	3.9
297.07480	0.6
299.05496	10.8
300.06171	0.5
301.06979	0.9
303.04953	6.7
305.06555	40.2
306.06915	1.0
311.05527	1.3
313.07104	0.7
315.04935	0.7
317.06537	13.8
317.10278	0.8
323.05661	1.0
331.08167	0.7
338.29178	0.6
348.06815	0.6
389.06558	0.9
407.07642	4.6
409.09207	0.7
425.08679	14.5
426.09042	0.6
437.08621	1.0
441.08331	2.4
443.09497	5.1
444.10315	0.6
575.11810	0.8
593.13086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	1.0
54.09745	0.5
55.01874	1.7
56.35608	0.5
57.65183	0.6
65.03944	2.2
66.30025	0.5
67.01865	0.6
67.05491	1.1
68.99786	7.1
69.63293	1.6
69.63677	1.0
81.03419	3.3
89.03915	0.5
91.05470	0.7
95.04969	1.6
97.02886	0.5
98.23392	0.7
103.05489	0.6
105.03375	1.2
108.02070	0.6
109.02891	4.5
111.00806	6.5
111.04436	1.6
121.02859	1.9
123.04432	9.9
125.02323	0.6
127.03908	73.0
128.04274	1.1
131.04855	0.8
133.02866	3.5
135.04434	1.0
139.03894	100.0
140.04219	1.1
141.05443	0.8
143.52774	0.4
145.06503	0.8
147.04399	5.5
149.02344	2.7
149.05948	1.4
151.03900	59.9
151.04951	2.8
152.04266	1.2
153.01816	6.5
153.05475	0.6
155.03372	6.3
157.06453	1.2
159.04424	1.4
159.08092	0.7
161.02399	0.7
161.06023	1.3
163.03896	9.9
165.05482	1.6
167.03383	3.4
167.04750	1.0
171.04352	1.4
173.05986	1.5
175.03893	9.7
177.05472	5.4
179.03387	33.9
180.03703	0.8
181.04933	1.4
183.04457	0.8
185.05969	1.2
187.03993	1.7
189.05463	3.1
191.03372	7.2
191.07036	0.6
193.04878	3.0
199.03854	3.4
201.05447	4.4
203.03372	14.5
205.04919	5.8
213.05421	4.2
215.03374	2.3
217.04961	4.3
219.02863	1.4
219.06499	1.0
223.02292	1.2
225.05489	0.8
227.03340	1.4
229.04956	4.5
231.06566	2.7
233.04419	3.5
241.04901	3.1
243.06566	1.4
245.04433	11.9
247.05994	1.5
249.11177	5.0
253.04959	1.6
257.04425	7.9
259.05908	3.2
261.03778	2.2
263.02652	1.2
263.05475	20.9
269.04486	4.4
271.05902	3.9
273.03854	1.4
275.05472	12.3
276.05957	0.7
277.06961	3.1
285.03806	1.4
287.05484	37.6
288.05817	1.4
289.07056	10.0
299.05496	23.2
300.05762	1.0
301.06937	1.0
303.04956	52.0
304.05255	1.6
305.06543	11.8
311.05301	1.2
315.04880	4.5
317.06528	21.4
318.06625	0.8
323.05389	1.5
327.04767	0.8
329.06445	0.8
331.07806	0.7
361.07236	0.7
389.06543	0.8
407.07562	8.0
423.07062	0.8
425.08649	24.1
426.08624	0.8
435.07062	0.9
437.08701	1.1
441.08173	15.6
442.08258	0.7
443.09631	4.1
449.08664	0.8
453.07773	0.9
457.10999	0.7
467.09531	0.9
591.11322	1.2
593.12457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
55.05391	1.1
55.05619	1.0
57.03296	1.1
57.03588	1.2
61.02763	2.0
61.03112	1.7
63.74057	0.4
64.57342	0.5
67.05335	3.8
67.05743	2.0
69.03253	1.6
69.03658	1.1
69.06956	0.5
69.70108	1.0
69.70438	0.6
71.04859	0.8
71.05190	0.7
79.05310	1.3
81.03237	1.2
81.03675	0.8
81.06857	2.0
83.04840	0.9
83.08463	0.5
85.02702	4.0
85.03265	1.2
85.06373	0.7
91.03755	2.3
91.04359	1.0
91.05339	0.8
93.06862	1.4
93.07407	0.8
95.08424	1.0
95.08966	0.6
97.02673	3.5
97.03349	0.7
99.04276	0.8
99.18414	0.6
101.02180	1.2
101.02744	0.6
103.03712	0.8
107.08411	1.0
109.02629	0.8
109.09916	4.5
111.07841	0.6
117.06878	0.7
121.09951	1.1
123.03962	1.4
126.12408	0.4
127.03648	1.9
127.04562	0.8
129.05223	2.0
133.09906	0.8
135.43529	0.5
138.93234	0.6
141.66273	0.4
145.04771	1.1
155.10501	0.8
165.08499	0.5
173.11465	1.5
181.04428	2.5
184.03180	1.2
185.04198	7.8
195.09892	2.9
199.05769	2.6
201.03688	3.6
221.11505	2.3
227.05066	1.3
229.14186	1.2
235.12820	1.4
237.10843	0.6
238.16899	0.6
241.06688	0.8
243.08447	3.4
249.10651	0.6
251.12428	0.8
259.07709	0.7
265.13821	1.5
281.13504	0.5
282.86777	0.5
283.14987	0.6
293.13535	3.6
301.08920	20.5
307.14954	1.2
311.14346	1.9
313.08670	1.1
315.10556	3.7
317.08389	0.6
327.10321	0.9
329.12170	0.7
339.14200	4.1
341.12085	0.9
343.13507	1.0
355.13400	0.7
357.15088	1.6
360.10077	0.9
369.15027	1.3
373.11008	9.2
377.22733	2.1
383.16592	1.6
385.18311	11.0
387.12296	1.7
391.19138	0.6
397.18103	0.7
413.12552	1.0
413.17801	16.1
415.15515	1.3
423.23730	0.8
429.17587	6.0
441.21130	0.6
443.18570	1.5
444.19528	2.0
457.20267	1.4
467.18793	0.7
471.22134	0.6
485.19608	11.7
492.02051	0.6
499.21478	3.5
501.22824	0.7
513.22107	2.9
517.22192	0.7
527.24579	1.9
541.26178	0.7
555.27551	4.7
569.29004	0.9
585.28729	5.6
597.28143	1.0
611.29987	1.1
639.29749	1.4
657.30811	100.0
658.31091	4.6
729.35620	1.2
761.37225	34.8
762.37616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38886	0.2
55.05508	0.8
57.03431	0.7
61.02906	0.4
61.10275	0.3
67.05493	1.9
69.07063	0.6
69.53117	1.2
73.02930	0.4
76.05586	0.3
79.05495	1.0
80.05821	0.4
81.03413	0.6
81.07047	1.9
82.07412	0.3
83.05003	0.3
85.02920	0.7
91.03947	0.4
91.05496	1.2
93.07056	1.1
95.04994	0.4
95.08617	1.2
97.02906	0.8
102.03390	0.3
105.07065	0.5
107.08595	0.6
109.10172	0.6
119.08585	0.5
121.10175	0.7
133.10077	0.6
136.60767	0.3
234.42235	0.3
262.45795	0.3
265.08469	0.4
267.16055	0.3
286.17447	0.4
297.04276	0.3
301.16425	0.6
302.16931	0.4
326.24542	0.3
335.25879	0.6
336.25989	0.4
337.27295	0.5
338.27930	0.5
519.29443	0.7
535.26886	1.0
545.38562	0.4
546.39166	1.3
563.39374	0.5
564.40063	1.0
761.38745	100.0
762.39111	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	761.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05512	2.4
57.03436	1.3
57.07055	0.3
59.05886	0.3
61.02925	0.8
67.05509	5.0
68.05840	0.8
69.03410	0.6
69.07078	1.9
70.03757	0.3
71.08678	0.3
77.85284	0.4
79.05497	2.2
80.05833	0.6
81.03419	1.2
81.07058	5.0
82.07382	0.8
82.64630	0.3
83.04989	0.7
83.08621	1.3
85.02917	0.7
86.98348	0.3
91.03980	0.5
91.05466	1.9
92.05805	0.6
93.07043	3.1
94.07399	0.4
95.04974	0.9
95.08608	3.4
96.08934	0.6
97.02895	0.9
97.06525	0.5
97.10170	0.5
105.07066	1.5
107.04963	0.7
107.08601	1.1
108.08952	0.5
109.06503	0.4
109.10143	1.5
117.06977	0.3
119.08602	1.4
121.06615	0.3
121.10149	1.2
125.09601	0.5
131.08580	0.5
133.10143	0.7
135.11714	1.0
145.10162	0.7
147.11714	0.5
163.11189	1.1
163.14902	0.4
173.11838	0.5
181.12222	0.4
191.10606	0.4
193.12254	0.4
209.11693	0.5
212.70541	0.3
229.14290	1.5
250.76605	0.3
265.08533	0.3
283.15460	1.1
284.15802	0.5
285.16992	0.8
301.16492	1.8
302.16928	0.9
335.25815	1.9
336.26053	2.0
337.27316	1.9
338.27792	1.8
478.36346	0.7
483.16663	0.6
490.36212	0.8
519.29102	0.5
528.38141	0.5
535.26538	0.3
545.38049	0.6
546.38556	2.7
563.39636	1.1
564.39856	3.4
761.38696	100.0
762.38995	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	761.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.05491	0.6
57.03439	1.8
59.05014	1.2
60.32048	0.5
61.02929	3.0
67.05503	3.0
69.03430	2.7
69.07076	0.9
69.78826	1.3
71.04993	1.6
71.42439	0.6
73.02911	2.8
79.05507	3.0
81.03426	4.5
81.07053	2.7
83.04955	0.7
83.08625	2.0
85.02900	4.0
87.04491	0.7
89.13725	0.5
91.03958	2.5
91.05481	3.2
93.07066	2.5
95.04975	2.1
95.08632	1.6
97.02872	3.1
97.06555	0.9
98.22715	0.6
99.04472	0.8
101.02399	1.3
105.07028	3.0
107.08601	1.2
108.31293	0.5
111.08111	0.7
119.08616	2.0
121.10171	1.8
127.03900	1.2
129.07037	0.9
131.08618	2.4
133.10155	1.8
147.08115	0.7
147.11748	1.8
149.09628	3.5
157.10144	1.2
167.07162	0.7
175.11276	1.3
192.82584	0.5
193.12308	2.0
225.15050	0.6
243.08458	3.1
267.16049	1.8
283.15210	6.3
339.17865	1.7
355.11841	1.2
441.21115	0.6
469.20792	1.0
501.23077	30.2
502.23651	1.1
520.09729	0.6
599.34552	0.7
729.36310	0.8
743.37415	0.6
761.39252	100.0
762.39563	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	761.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
61.02927	3.3
67.05508	6.9
69.03442	1.7
69.07064	0.9
71.01352	1.1
71.04999	3.4
72.28650	0.7
79.05518	1.4
81.03428	1.6
81.07050	4.3
83.08652	1.1
85.02903	4.8
91.03974	2.5
91.05498	2.5
93.07062	1.8
95.08601	1.6
96.05279	0.7
97.02901	3.1
101.02374	2.2
105.07054	1.6
105.91317	0.7
107.08603	1.4
109.10163	5.3
127.03899	1.3
131.08583	0.8
133.10144	2.6
135.11783	0.8
149.13144	1.1
151.11241	1.0
159.11725	1.2
166.31651	0.8
173.11797	2.2
183.14070	0.7
184.07391	2.5
185.04262	1.2
202.35110	0.7
217.17236	0.8
229.14435	1.5
243.08521	2.1
250.37141	0.7
257.17422	1.3
267.15805	1.9
290.35300	0.7
303.28128	0.8
413.17755	11.1
478.36298	1.9
485.23526	10.9
601.50623	0.7
624.76782	0.8
657.34564	100.0
658.35107	5.4
715.37903	0.9
761.39178	17.7
762.39197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01867	0.5
55.05499	2.1
55.95587	0.2
57.03436	1.5
57.07080	0.3
60.08170	0.3
61.02918	3.6
62.20691	0.2
67.05501	6.0
68.05833	0.2
69.03426	2.9
69.07061	2.4
71.01376	0.3
71.04998	0.9
73.02910	2.7
79.05487	3.8
81.03406	1.9
81.07048	7.3
82.07420	0.4
83.04995	0.9
83.08620	1.3
85.02895	3.5
85.06556	0.4
86.09705	0.9
87.04485	0.2
91.03947	2.4
91.05466	2.1
91.05898	0.2
93.07033	6.2
95.04987	1.1
95.08608	1.9
97.02887	3.7
97.03475	0.2
97.06533	0.9
97.10154	1.1
99.04466	0.7
99.08103	0.5
100.69677	0.2
101.02360	1.6
103.03957	0.3
105.04568	0.2
105.07045	1.0
107.08574	3.3
109.02876	0.6
109.06539	0.3
109.10173	1.0
111.00409	0.2
111.04401	0.2
111.08108	0.8
117.07036	0.8
119.07861	0.3
119.08630	1.0
121.10116	1.8
122.43665	0.2
124.99992	0.7
125.09667	0.6
127.03902	1.5
129.05531	0.3
129.07042	0.3
130.86581	0.2
131.08531	1.0
133.10138	1.0
135.08038	0.2
135.11725	0.9
145.04990	0.4
145.10191	0.3
147.11699	0.5
149.09644	0.2
149.13246	3.1
150.13614	0.3
151.11166	0.3
157.10181	0.3
159.11673	1.2
177.12770	0.4
184.07339	2.9
184.08882	0.2
185.04225	0.4
185.07768	0.3
195.13823	0.5
203.05412	0.2
223.13383	0.9
229.22958	0.3
235.13094	0.8
243.08395	3.5
261.14822	0.3
269.17371	1.1
270.17935	0.6
270.98859	0.2
291.15710	0.6
291.19553	0.8
301.09079	0.3
315.10641	0.2
331.18750	2.4
383.17142	0.3
387.21216	0.3
453.20932	12.1
454.21448	0.5
463.30698	1.1
464.30731	1.2
525.23474	0.5
546.38666	0.5
549.26709	3.2
761.40680	100.0
762.41046	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	761.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
53.41575	0.2
54.56810	0.2
55.01869	0.5
55.05515	1.3
57.03432	1.2
57.07087	0.3
61.02927	3.8
67.05500	4.4
69.03428	2.8
69.07078	1.8
69.26683	0.8
69.27092	0.7
71.01373	0.4
71.05003	1.0
72.02111	0.3
73.02920	2.8
79.05492	3.5
81.03411	2.2
81.07057	6.4
81.07503	0.4
83.04989	0.9
83.08630	0.8
85.02905	4.1
85.06554	0.4
87.04498	0.5
91.03960	2.4
91.05466	3.0
93.07042	4.3
95.04984	0.9
95.08613	1.8
97.02891	3.2
97.03407	0.3
97.06541	1.0
97.10175	0.3
98.23444	0.4
98.45538	0.2
99.04477	1.1
101.02402	1.2
105.04519	0.4
105.07034	2.1
107.04997	0.4
107.08597	3.0
109.02902	0.6
109.06590	0.3
109.10126	1.7
111.08118	0.5
115.03955	0.4
117.07037	0.8
119.08598	0.9
121.10150	1.4
123.11738	0.3
127.03930	1.2
131.08591	1.1
133.10104	2.0
135.08002	0.3
135.11725	0.8
138.66037	0.3
145.04970	0.3
147.11697	0.5
149.13231	2.0
151.11240	0.6
159.11746	1.1
177.12886	0.5
185.04201	0.5
195.13785	0.3
203.05232	0.5
212.34410	0.3
223.13255	0.4
235.13112	0.9
243.08330	2.8
269.17560	0.9
271.28763	0.4
291.15802	0.5
291.19690	0.6
331.18866	2.2
387.21494	0.7
427.64597	0.3
451.18985	0.3
453.20914	9.4
463.31128	0.3
464.30707	0.5
467.18958	0.5
525.23059	0.4
535.29248	0.4
546.38062	0.4
549.26685	5.1
599.36304	0.5
623.23047	0.3
649.87262	0.3
761.40753	100.0
762.41052	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	762.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19187	0.3
55.01860	1.3
55.05512	0.5
57.03439	0.6
61.02921	1.2
67.05489	0.5
69.03439	2.0
70.71535	0.6
71.01344	0.4
73.02896	0.4
79.05495	0.9
81.03398	1.1
83.04994	0.4
85.02403	0.7
85.02903	11.6
91.03977	0.5
93.03392	1.8
95.04959	0.9
97.02901	3.4
99.00783	0.5
99.04418	0.9
103.03831	0.4
103.05451	1.1
103.83254	0.3
105.03401	0.4
105.07002	0.5
105.52938	0.3
107.04939	1.9
109.02859	1.3
117.03379	0.4
121.06498	1.7
123.04417	1.0
125.05984	0.9
127.03917	5.3
131.04921	13.2
133.02820	0.4
133.06503	0.7
135.04390	1.2
137.05954	0.5
139.03882	4.0
145.04970	3.9
149.05965	6.0
151.03923	2.2
151.07530	0.4
153.01746	0.7
153.05473	0.5
155.03381	3.0
159.04408	42.9
160.04665	0.7
161.05980	1.3
163.03906	13.1
163.05911	1.7
167.07076	2.1
169.04933	0.6
171.02898	2.7
177.05466	49.5
178.05928	0.8
179.03386	39.4
179.06894	3.9
180.03601	0.5
180.08678	0.3
181.04945	12.7
195.02896	0.6
195.06529	8.6
197.04449	8.5
203.03517	0.6
205.04991	3.1
223.06007	22.6
241.07069	37.7
242.07416	0.7
245.04518	0.6
259.08121	100.0
260.08466	2.0
263.05597	0.5
287.05502	0.8
299.05545	0.7
317.06433	0.5
325.11374	0.4
386.37888	0.3
416.06747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
62.60738	0.1
62.65575	0.1
68.99792	0.6
69.03425	0.5
69.91817	0.3
69.92149	0.3
81.03394	0.4
85.02908	1.3
91.05479	0.7
97.02885	0.5
99.04491	0.2
105.07037	0.3
107.04986	0.8
109.02898	0.4
111.00798	0.7
114.45164	0.2
115.05459	0.6
116.06175	0.3
117.06992	0.6
119.04927	0.2
121.02766	0.2
123.04427	1.0
127.03028	0.3
127.03912	4.8
128.04254	0.4
128.06218	1.1
129.07004	3.5
130.07710	0.2
131.04910	0.2
131.08568	4.1
133.02815	0.2
133.06506	0.5
133.10114	0.3
133.17809	0.2
135.04437	0.2
137.02365	0.5
139.03894	8.1
140.04216	0.4
141.06964	1.3
142.07739	0.2
143.08562	1.0
144.05698	1.2
145.04968	0.2
145.06468	1.0
146.07301	0.4
147.04410	0.6
147.08043	0.2
149.02304	0.3
149.05936	0.2
151.03912	3.1
152.04204	0.2
153.01802	1.4
153.06982	0.5
155.03354	0.2
155.06049	0.3
156.05656	0.3
157.06479	2.1
158.07199	0.3
159.08046	8.9
160.05115	0.2
161.05991	0.4
161.09605	2.1
163.03896	1.3
167.06989	0.5
169.06334	0.3
169.07643	1.0
170.07274	1.3
171.08037	2.0
172.05197	0.6
173.05991	1.1
174.06717	0.5
175.03926	0.7
175.07535	0.6
177.05466	0.4
178.06219	0.2
179.03378	2.5
187.07545	6.9
188.08289	0.3
189.05455	0.7
189.09093	3.2
190.06250	0.4
191.03317	0.5
191.07027	0.5
192.07806	0.2
193.05006	0.2
193.08594	0.3
198.06767	0.6
199.03781	0.2
199.07567	0.8
201.05435	0.7
203.03395	1.2
203.07021	0.8
204.07803	3.7
205.04929	0.3
205.08496	0.6
206.09375	0.4
207.10107	0.3
213.05479	0.3
215.03349	0.2
216.07797	1.2
217.05046	0.4
217.08539	0.5
218.09442	0.3
219.10141	1.9
221.08154	0.4
221.11710	1.4
229.04890	0.3
231.06523	0.3
231.10184	2.3
233.04573	0.3
233.11739	0.2
234.08765	0.2
237.11185	0.7
241.04924	0.2
245.04472	1.1
249.11206	100.0
250.11552	3.0
257.04498	0.5
259.06012	0.2
263.05463	1.0
267.12283	9.4
268.12802	0.2
269.04416	0.4
271.05884	0.3
275.05527	0.7
287.05447	3.0
288.05768	0.4
289.07275	0.3
299.05420	1.0
300.06036	0.2
301.06873	0.2
305.06561	1.0
311.05478	0.2
317.06561	0.8
323.05551	0.2
357.43976	0.2
407.07343	0.3
411.16486	0.2
425.08673	1.4
443.09518	0.3
445.25266	0.2
467.09995	0.3
541.17224	0.2
752.03741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01868	1.2
55.05513	13.4
57.03439	11.7
57.07065	3.0
57.83946	1.1
60.08152	5.1
61.02920	3.3
65.03914	1.3
67.05504	36.4
69.03432	5.1
69.07063	15.6
70.06580	1.1
71.01344	1.7
71.04998	1.5
71.07365	3.7
71.08604	1.7
73.02898	2.3
79.05491	16.1
81.03414	46.3
81.07055	39.0
82.84157	1.0
83.04980	4.3
83.08624	17.3
85.02900	4.3
85.06522	1.1
86.09704	27.3
88.76740	1.0
91.03958	2.0
91.05486	14.7
93.07046	19.0
94.07377	1.1
95.04971	14.0
95.08605	26.5
96.01036	1.2
96.08908	1.3
97.02885	4.3
97.06530	3.5
97.10178	6.7
98.98442	1.4
99.08060	1.1
101.02387	1.5
101.06071	1.1
104.10728	2.1
105.07026	12.8
107.04943	3.5
107.08600	9.7
109.06498	2.9
109.10152	12.2
111.04379	1.0
111.08097	3.9
117.07037	2.0
119.08579	11.9
121.06512	2.2
121.10135	8.9
123.04432	1.1
123.08053	1.4
123.11713	7.0
125.00005	17.7
125.09644	2.2
129.06996	4.7
131.08594	7.5
133.10092	7.5
135.11697	4.8
137.09583	1.7
137.13229	2.1
142.07799	1.6
145.10156	2.8
146.98184	1.0
147.08018	1.0
147.11662	8.2
149.09628	1.6
149.13277	2.2
157.10112	3.7
161.09744	1.0
161.13235	2.3
163.11139	1.6
165.12750	1.2
166.60501	1.0
175.11192	5.6
175.14780	1.7
184.07339	100.0
193.12219	13.0
211.13100	1.3
211.72331	0.9
227.12807	1.7
241.52451	1.0
243.08417	1.6
245.22655	1.6
249.14966	1.5
261.22073	1.1
263.23724	3.8
267.15906	59.3
268.16248	2.4
285.01224	1.2
285.16904	2.2
335.25735	1.2
336.25772	1.3
337.27341	53.5
338.27585	2.4
437.34299	1.7
455.35236	4.0
473.36371	2.3
485.19662	1.7
489.34894	1.3
519.29370	2.2
529.38867	49.8
530.39154	2.3
547.39923	36.8
548.40253	2.2
565.40686	3.0
571.39490	2.2
613.34088	3.4
637.41455	1.2
672.41663	2.6
712.45117	7.7
745.40668	1.5
762.41101	21.1
763.41608	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	762.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
53.12307	0.4
55.01857	0.8
55.05507	7.3
56.05032	1.0
57.03442	5.5
57.07063	1.4
58.06589	0.7
59.04984	0.4
60.08162	6.6
61.02915	2.0
65.03933	1.0
67.05505	21.6
69.03413	2.4
69.07068	8.6
69.39980	1.0
69.40359	0.9
71.04993	1.1
71.07384	2.9
73.02900	1.5
79.05492	10.1
79.68984	0.5
81.03417	24.5
81.07057	22.9
83.04980	2.1
83.08617	9.6
85.02927	2.4
85.06521	0.8
85.10149	0.5
86.09705	27.9
91.03966	1.0
91.05474	8.5
93.07045	8.0
95.04961	8.7
95.08033	1.0
95.08604	14.8
97.02858	2.4
97.06538	2.2
97.10163	3.1
98.98481	2.9
99.04481	0.7
99.08109	0.8
104.10728	2.1
105.04487	0.5
105.07029	7.3
107.04971	2.7
107.08598	4.6
109.02853	0.5
109.06511	1.2
109.10141	7.1
111.04430	0.5
111.08073	1.3
111.11723	1.0
117.07018	1.2
119.08575	6.0
121.06474	0.5
121.10140	5.0
121.85264	0.4
123.04423	0.8
123.08052	1.0
123.11730	2.5
124.99996	20.4
125.09641	1.1
126.13985	0.4
129.07013	2.7
131.07594	0.7
131.08554	3.9
133.06458	0.8
133.10123	5.2
135.08058	0.7
135.11690	2.2
137.09569	0.8
137.13217	0.8
139.11131	0.5
142.07758	1.1
145.10152	1.2
147.04446	0.5
147.08032	0.9
147.11670	4.2
149.09569	1.4
149.13255	1.3
151.11139	0.5
151.14798	0.6
151.77676	0.5
157.10089	2.6
159.11642	0.8
161.09682	0.6
161.13208	1.3
163.11143	0.9
163.14774	0.7
175.11211	3.0
175.14865	0.6
184.07336	100.0
185.07593	0.6
193.12209	7.6
195.17493	0.4
200.93318	0.5
205.12198	0.5
211.13336	0.6
227.12779	1.1
227.16061	0.4
243.08241	0.7
245.22589	0.8
249.14868	0.6
263.23770	1.1
267.15903	27.1
268.16312	1.0
285.16937	1.0
303.26999	0.7
309.17163	0.8
335.25726	1.1
337.27350	26.4
338.27786	0.7
437.34311	0.5
455.35104	1.3
473.36670	0.7
501.23315	0.6
503.37534	0.7
511.37106	0.6
519.28821	1.5
529.38885	20.3
547.39917	15.7
548.40271	1.0
565.01361	0.6
565.40576	0.9
571.39655	1.4
637.41095	0.7
673.42059	0.6
712.45404	9.2
713.44818	0.5
762.40668	4.3
763.41864	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	763.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.0
55.01869	0.9
60.13949	0.3
65.03947	1.3
67.01868	0.4
68.99790	5.7
70.40909	1.0
73.07441	0.4
79.01854	0.5
81.03409	2.4
91.05470	0.6
91.52088	0.4
93.03397	0.6
95.04939	0.8
99.04436	0.9
105.03378	0.9
107.05006	0.6
107.61618	0.4
109.02865	4.0
111.00097	0.7
111.00803	6.7
111.04433	1.3
119.04949	0.7
119.48186	0.4
120.81382	0.4
121.02890	1.2
123.04435	8.9
124.03867	0.4
127.03918	70.8
128.04260	0.8
131.04912	0.7
133.02843	2.3
135.04404	1.5
137.02396	0.5
139.03903	100.0
140.04248	1.1
143.03410	0.7
145.06480	0.4
147.04424	4.9
147.05486	0.8
149.02362	1.5
149.06013	1.0
151.03905	33.3
152.04279	0.5
153.01834	8.0
153.02988	0.7
153.05435	0.5
155.03377	3.7
159.04398	0.9
161.02344	0.5
161.06012	1.0
163.03917	7.5
165.05481	1.3
167.03448	2.6
169.06453	0.8
171.04388	1.2
173.06003	0.7
175.03905	9.3
176.04279	0.5
177.05481	3.9
179.03392	31.3
180.03714	0.5
181.04974	1.9
183.04446	0.8
185.05948	1.1
187.03951	0.9
189.05495	2.9
191.03410	5.9
193.04958	2.8
197.05942	0.9
199.03914	2.6
201.05466	3.7
203.03395	15.0
203.05305	0.8
205.05029	3.9
211.03860	0.8
213.05498	4.3
215.03433	0.5
217.04944	3.2
219.06567	1.0
223.02336	1.1
225.05388	0.9
227.03395	1.0
229.04958	3.6
231.06561	2.7
233.04451	3.0
235.05972	0.5
241.04959	1.8
243.06598	0.9
245.04456	10.0
246.04785	0.4
247.05984	0.9
251.05545	0.6
253.04926	1.0
257.04431	8.3
259.06042	2.0
263.05511	17.7
269.04428	4.5
271.05978	2.8
275.05518	8.0
277.06973	1.6
281.04422	1.0
287.05499	36.0
288.05829	0.9
289.07025	8.1
295.06052	0.5
297.07404	0.5
299.05508	16.6
300.05942	0.8
301.07025	1.0
305.03290	0.7
305.06567	11.4
307.07956	1.5
311.05405	1.1
313.07169	0.5
317.06549	16.7
318.06665	0.7
323.05469	1.2
329.06360	0.6
341.06680	0.7
360.32239	0.4
361.07086	0.5
389.06409	0.8
407.07672	7.5
425.08658	22.0
426.08743	1.1
437.08463	0.8
443.09793	4.8
449.08505	0.6
459.08908	2.0
467.09729	1.0
577.08820	0.5
595.10822	2.3
684.09265	0.4
691.68140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	1.2
55.01871	1.0
57.45215	0.4
65.03936	1.0
67.01875	0.8
68.99783	5.7
69.62420	1.6
71.04971	0.5
74.15060	0.4
79.01853	1.0
81.03416	2.3
83.04961	0.4
93.03391	0.5
95.04977	0.8
99.04456	0.7
105.03378	0.6
107.04974	0.7
109.02869	3.1
111.00800	6.2
111.04430	1.3
111.35738	0.5
119.04920	0.7
121.02862	1.9
123.04428	9.7
127.03911	71.7
128.04248	0.9
133.02867	2.1
135.04420	1.1
139.03893	100.0
140.04282	1.2
141.07030	0.5
143.03459	0.7
143.04794	0.4
145.06467	0.6
147.04408	5.2
149.02319	1.3
149.06006	0.9
151.03897	31.9
153.01820	8.5
153.03029	0.6
153.05385	0.6
155.03378	2.0
157.06480	0.6
159.04401	1.7
161.02309	0.8
161.05948	1.1
163.02629	0.7
163.03902	8.0
165.05446	1.2
167.03366	2.9
169.06421	0.5
171.04413	1.0
173.05943	0.6
175.03905	10.7
177.01779	0.6
177.05444	3.8
179.03384	32.2
181.04932	2.7
185.05933	1.4
187.03928	0.8
189.05472	3.2
191.03381	4.9
193.04948	2.3
197.06026	1.0
199.03899	2.5
200.01550	0.4
201.05457	3.1
203.03372	14.2
205.04948	3.9
211.03801	0.7
213.05452	4.5
215.03580	0.9
215.06917	0.4
217.04982	2.7
218.06029	0.4
219.06448	1.0
223.02345	1.2
225.05415	0.7
227.03331	0.7
229.04904	3.3
230.05714	0.5
231.06413	1.6
233.04410	3.8
241.04929	2.3
245.04474	10.6
251.05388	0.7
253.04880	1.4
257.04431	8.2
258.04724	0.5
259.06058	2.0
263.05505	19.9
269.04367	4.0
271.06006	2.7
275.02792	0.5
275.05505	8.7
277.06912	1.2
281.04321	0.7
287.05475	36.6
288.05716	1.0
289.04056	0.6
289.07056	9.2
295.05652	0.8
299.05478	19.3
300.05826	0.7
305.06534	9.4
307.08023	1.7
311.05286	1.1
313.06671	0.4
317.06534	19.9
317.10284	0.9
318.06995	0.7
323.05243	1.5
361.07199	0.5
365.06161	0.8
389.06311	0.6
407.07553	7.2
408.07419	0.5
425.08643	23.2
426.08844	0.9
437.08417	0.9
443.09863	4.5
449.08771	0.6
459.09409	1.9
467.09207	1.6
575.11090	0.5
595.10614	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	763.1503
Annotation	3-O-Galloylepigallocatechin-(4beta->6)-gallocatechin
Peak:m/z	Relative Intensity
53.00309	1.3
55.01870	0.6
64.20865	0.3
65.03938	2.5
67.05504	0.4
68.99781	4.6
69.40464	1.5
75.67857	0.3
77.03936	0.4
79.01869	0.7
79.36781	0.3
80.81544	0.3
81.03417	1.7
89.03928	0.4
91.05481	0.6
95.04955	1.0
98.23516	0.3
99.04455	0.6
105.03404	0.6
107.04903	0.7
109.02863	2.8
111.00802	6.2
111.04452	0.6
117.03352	0.5
119.04920	0.6
121.02885	2.1
123.04429	8.8
125.02328	0.6
127.03913	52.0
128.04254	0.7
131.04904	0.7
133.02826	2.0
135.00789	0.7
135.04416	1.5
137.02284	0.5
139.03899	100.0
140.04234	1.1
143.03419	0.6
147.04414	3.7
149.02347	1.8
149.06015	0.7
151.03905	27.9
153.01823	10.5
153.02980	0.5
153.05473	0.4
155.03380	3.8
159.04395	0.8
161.05928	0.8
163.03911	9.6
165.05472	0.9
167.03406	1.2
169.04848	0.4
171.04395	1.2
173.02386	0.5
173.05994	1.1
175.03917	9.5
177.05481	3.8
179.03392	31.6
179.06717	0.6
180.03780	0.6
181.04947	2.0
185.05992	1.4
187.03853	0.7
189.05438	2.1
191.03333	2.0
193.04951	2.8
197.05910	0.5
199.03995	1.8
201.05403	3.1
203.03389	14.7
205.04971	3.5
209.06023	0.4
213.05466	3.6
215.03343	0.8
217.04965	2.6
219.02892	0.3
221.04420	0.7
223.02271	0.9
227.03371	1.3
229.04819	2.1
231.02934	0.4
231.06540	2.2
233.04428	1.1
237.05412	0.7
241.04933	2.6
243.06500	0.5
245.04457	7.6
247.06049	0.4
249.03851	0.3
249.11188	1.6
250.11461	0.4
253.04880	0.7
257.04474	6.1
258.05075	0.5
259.06036	2.5
263.05515	13.9
265.04971	0.6
269.04440	6.9
271.06046	1.7
275.05481	5.9
277.07080	1.5
281.04529	0.8
283.05908	1.0
287.05490	37.9
288.05698	0.9
289.03723	0.2
289.07034	6.4
299.05484	9.9
300.05853	0.5
301.07071	2.5
305.06564	13.3
306.06882	0.4
307.08078	0.8
311.05484	5.4
313.06979	1.8
317.06506	5.8
319.07971	0.5
323.05444	0.9
329.06567	3.9
330.06708	0.3
331.07941	1.2
341.06375	0.7
389.06534	0.5
407.07608	4.7
425.08685	10.7
426.08582	0.5
437.08560	3.7
443.09787	1.7
449.03049	0.4
449.08484	2.3
455.09732	1.9
459.09018	0.8
467.09698	2.5
523.97888	0.3
575.11499	1.3
577.09680	0.6
593.12469	0.9
595.10791	1.8
613.92963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1504
Annotation	3-O-Galloylepigallocatechin-(4beta->6)-gallocatechin
Peak:m/z	Relative Intensity
53.00309	0.7
53.03945	0.4
55.01885	1.1
59.49368	0.4
65.03957	1.3
67.01869	0.5
67.05499	0.8
68.99793	5.3
69.58100	1.0
79.01864	0.8
81.03417	1.7
91.05447	0.4
91.26952	0.4
93.37630	0.4
94.93022	0.4
95.04994	0.7
99.04465	0.4
105.03384	0.8
105.42587	0.4
107.04951	0.7
109.02891	4.8
111.00802	5.8
111.04432	1.2
115.05436	0.4
119.04977	0.6
121.02873	1.3
123.04430	9.5
127.03918	67.2
128.04276	0.9
129.48170	0.4
131.04924	0.6
133.02872	2.1
133.06465	0.5
135.04399	0.7
137.02348	0.7
139.03902	100.0
140.04262	1.1
143.03394	1.0
145.06461	0.5
147.04407	4.7
149.02350	2.2
149.05991	1.1
151.03905	36.5
152.04280	0.5
153.01834	11.4
153.03033	0.8
155.03392	6.7
157.06474	0.7
159.04419	1.1
160.81248	0.4
161.02386	0.7
161.05988	1.7
163.03905	8.1
165.05446	1.4
167.03424	3.0
169.06502	0.9
171.04388	1.2
173.05934	1.0
175.03908	8.7
177.05489	3.4
179.03392	30.9
180.03870	0.4
181.04979	2.1
183.04413	0.9
185.02339	0.4
185.06012	2.1
187.03923	0.9
189.05492	2.4
191.03392	6.5
193.04991	3.0
197.05936	0.7
199.03841	2.9
201.05431	3.9
203.03394	14.8
203.05309	0.7
205.04929	3.9
211.04008	0.6
213.05464	5.1
215.03397	0.8
215.06949	0.5
217.04971	4.2
219.06494	1.0
223.02287	1.0
225.05446	0.5
227.03262	0.9
229.04965	3.1
231.02765	0.5
231.06505	2.2
233.04446	4.1
235.05849	0.4
239.07031	0.4
241.04953	2.1
243.06534	0.4
245.01938	0.6
245.04453	10.5
247.05965	1.0
251.05598	0.7
253.04933	1.1
257.04443	9.2
258.05045	0.5
259.06033	2.7
263.05505	16.7
269.04425	4.2
270.05008	0.5
271.06046	3.0
275.05505	9.4
277.07111	3.1
281.04288	1.0
287.05496	38.9
288.05710	0.9
289.07065	7.1
295.05862	0.6
297.07422	0.5
299.02072	0.9
299.05502	18.0
301.06967	0.4
305.06558	14.6
307.08051	1.2
311.05511	1.0
317.06546	16.4
318.06967	0.6
323.05463	1.5
331.08224	0.7
338.70032	0.5
361.06934	0.6
365.06418	0.7
389.06424	0.8
407.07651	6.1
408.07449	0.5
420.86630	1.8
421.02872	1.1
425.08670	21.2
426.08643	0.5
437.08487	0.9
443.09760	5.9
449.08554	0.7
459.09015	1.5
467.09427	1.5
575.11798	0.6
577.09314	0.5
595.10559	2.2
649.49261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
55.05518	0.6
57.03434	1.3
59.04983	0.4
61.02929	1.4
67.05515	2.4
69.03429	1.2
69.07074	0.6
69.14270	2.8
71.04992	1.1
73.02928	1.1
79.05512	1.5
81.03429	2.0
81.07063	3.0
83.08594	0.8
85.02911	2.0
85.48083	0.4
91.03975	1.2
91.05502	1.5
91.58476	0.4
93.07062	2.1
95.04961	0.6
95.08606	2.3
97.02918	1.9
97.06535	0.8
99.04479	0.6
101.02405	0.5
105.07036	1.6
107.08602	1.5
108.99793	0.4
109.02887	0.5
109.10183	1.1
111.04460	0.5
111.08102	0.5
119.08581	0.6
121.10164	1.9
127.03937	0.9
129.06996	0.5
131.08557	0.8
133.10152	0.6
135.11691	0.8
135.76190	0.5
137.05984	0.6
139.03885	0.6
145.10313	0.5
147.11699	0.7
149.09625	0.8
155.70042	0.4
165.05595	0.5
167.07104	0.8
171.06589	1.2
175.11244	0.6
193.12216	0.7
243.08415	0.7
243.45596	0.5
267.08865	0.7
283.15228	1.7
307.01678	0.5
310.84854	0.5
443.31741	1.1
461.32556	1.6
463.14987	1.6
479.33429	1.0
485.20364	2.6
501.23157	4.4
503.21127	2.2
517.20941	0.5
571.42047	0.5
673.30585	0.6
685.33197	0.9
745.35614	2.7
763.35718	100.0
764.36066	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	763.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05508	0.9
57.03434	1.8
59.04997	0.5
60.40678	0.5
61.02922	4.5
67.05502	3.4
69.03445	2.3
69.07089	1.1
69.19524	3.0
71.01358	0.7
71.05015	1.6
73.02920	2.5
79.05489	2.8
81.03413	3.2
81.07059	4.2
83.04996	1.0
83.08643	0.7
85.02912	3.8
85.06580	0.6
87.04502	0.7
91.03960	1.8
91.05493	2.3
92.37511	0.5
93.07063	2.6
93.72332	0.5
95.04991	1.3
95.08617	3.0
97.02898	4.0
99.04456	0.8
99.47104	0.5
101.02404	1.5
105.07047	1.7
107.04945	0.7
107.08617	2.1
109.02911	0.9
109.06553	0.9
109.10183	1.1
111.04382	0.5
119.08604	1.7
121.10148	3.4
127.03927	1.4
129.07054	1.1
131.08620	1.9
133.10182	1.7
135.11699	0.9
137.06038	0.9
139.03960	0.9
145.05019	0.6
145.10191	0.7
147.11778	1.5
149.09688	1.7
157.10144	1.3
161.06067	0.6
175.11273	0.8
193.12297	1.5
202.74408	0.5
243.08449	1.6
267.12485	0.5
267.15839	1.2
283.15222	3.2
285.13196	1.4
301.16559	0.7
339.17950	1.0
427.19202	1.3
436.85809	0.5
441.21271	1.0
457.21158	0.6
461.32309	0.9
485.20193	3.6
501.23032	11.6
503.20834	4.5
581.11639	0.6
673.29535	0.7
745.36066	4.9
763.36877	100.0
764.37109	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	763.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05495	1.1
57.03412	1.5
59.04978	0.9
61.02930	5.1
67.05509	7.1
67.48797	0.5
69.03432	3.1
69.07050	0.8
71.04970	1.6
73.02917	3.5
79.05499	2.4
81.03411	4.4
81.07063	3.5
83.04980	0.7
83.08598	1.4
85.02461	0.6
85.02908	5.8
87.04411	0.6
91.03979	3.2
91.05468	2.0
93.07027	1.7
95.04922	0.7
95.08577	1.5
97.02892	4.5
97.06519	0.9
99.04457	1.3
101.02359	1.4
103.03915	0.6
105.07005	1.6
107.04955	0.8
107.08539	1.2
109.02850	1.1
109.06505	0.6
109.10152	5.7
111.08107	0.7
115.03922	0.6
119.08550	2.0
121.10114	1.4
127.03901	1.7
127.60897	0.5
129.06989	0.6
131.08499	1.2
133.10089	1.2
135.11662	0.5
137.09615	0.6
139.03885	0.6
145.05006	0.9
147.11720	1.2
149.09631	1.7
155.10649	0.9
155.54701	0.6
157.10114	0.9
173.11732	2.0
175.11185	1.4
185.04126	0.9
193.12209	1.7
195.09871	1.0
216.16768	0.5
225.14903	1.1
229.14384	2.0
243.08308	2.6
250.88766	0.5
267.15915	0.9
271.94009	0.5
283.15201	5.7
283.72769	0.6
302.74606	0.5
339.17838	1.0
400.29211	0.5
413.17810	17.1
414.18347	0.7
427.19257	0.5
439.19659	0.6
443.19922	0.6
469.20508	1.2
501.23099	18.7
502.23303	1.4
511.28806	1.1
645.84125	0.5
659.32471	7.7
660.33453	1.0
673.34082	100.0
674.34576	7.4
745.35272	0.8
763.36450	39.9
764.37250	3.4
772.07184	0.5
777.69574	0.6
779.64655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.03419	1.8
61.02916	2.1
67.05500	6.2
69.03419	1.7
69.07079	1.4
69.64298	2.9
71.04960	1.0
73.02912	2.1
79.05489	3.4
81.03413	3.3
81.07053	3.5
82.07334	0.9
85.02929	1.9
91.03912	1.1
91.05482	2.8
93.07044	3.5
95.04965	2.0
95.08601	2.9
97.02894	2.3
98.22622	0.9
105.07021	1.5
107.08617	1.6
109.10151	1.3
119.08572	1.0
121.10185	2.3
123.58640	1.1
127.03914	1.4
133.10077	1.2
166.78055	1.0
263.35278	1.0
285.17087	1.1
301.09085	1.1
324.26016	0.9
328.83832	1.1
519.29327	2.6
543.34827	1.4
548.40833	1.2
705.40674	5.7
745.41107	1.6
763.40179	100.0
764.40784	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	763.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.7
57.03435	1.9
57.07082	0.4
60.08159	1.3
61.02933	2.5
67.05506	5.2
68.05838	0.5
69.03434	1.1
69.07060	2.0
69.39625	1.1
71.04998	0.6
71.07366	0.7
73.02917	1.6
75.57304	0.3
79.05491	3.2
79.32975	0.3
81.03420	6.0
81.07059	5.7
82.03776	0.5
82.07401	0.7
83.04980	0.7
83.08620	2.0
85.02929	2.0
86.09708	6.6
87.10023	0.8
91.03967	1.0
91.05489	2.1
93.07051	2.8
95.04961	2.1
95.08614	3.2
97.02905	1.8
97.06532	0.7
97.10173	0.7
98.22758	0.7
98.98449	0.5
101.02377	0.6
104.10758	0.5
105.07047	1.6
107.05009	0.5
107.08566	1.5
108.40443	0.3
109.10145	1.8
110.10496	0.4
111.08086	0.7
113.15467	0.4
117.06989	0.5
119.08550	1.5
121.10174	1.4
123.11772	0.8
125.00023	3.6
127.03923	0.5
130.07416	0.4
131.08572	0.9
132.08867	0.4
133.06552	0.3
133.10162	1.3
135.11699	1.1
137.09583	0.4
145.10161	0.7
147.11736	0.7
151.61963	0.3
157.10190	0.8
163.11229	0.6
175.11223	0.4
184.07341	20.9
185.07704	2.7
193.12291	1.1
207.28685	0.3
222.39453	0.4
227.12686	0.4
243.08321	0.8
245.22617	0.3
264.24176	0.5
267.15881	5.4
268.16290	2.3
337.27411	4.1
338.27713	2.9
413.17776	0.7
467.18909	0.8
485.19125	1.0
519.29266	1.5
529.38953	2.0
530.39197	4.1
535.27625	0.4
547.39917	1.4
548.40417	3.2
571.09930	0.4
713.46094	1.8
745.41376	1.2
763.40778	100.0
764.41046	5.9
780.28168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01844	0.4
55.05509	2.1
57.03432	2.5
58.53291	0.4
60.08164	1.3
61.02926	3.9
67.05501	7.1
68.05829	0.5
69.03436	2.4
69.07072	1.6
69.26772	2.1
71.01344	0.5
71.04991	0.6
71.07375	0.5
73.02904	2.5
79.05505	3.6
81.03420	5.0
81.07053	6.0
82.07391	0.6
83.04996	0.9
83.08613	1.9
85.02898	3.5
86.09710	5.5
91.03957	2.9
91.05476	2.3
93.07042	3.8
95.04962	2.0
95.08613	4.2
96.08931	0.8
97.02888	3.3
97.06573	0.7
98.98508	0.5
99.04441	0.9
101.02384	1.7
105.07049	1.5
107.04977	0.7
107.08588	2.3
109.02895	0.6
109.06556	0.5
109.10155	2.0
111.08112	0.6
117.07028	0.9
119.08589	2.1
121.10133	1.8
123.11694	0.6
124.99992	3.5
125.09649	0.4
127.03948	1.5
129.07050	0.5
130.07347	0.4
131.08600	1.2
133.10152	0.9
135.11674	1.9
145.10135	1.3
145.14262	0.3
146.73558	0.3
147.11719	0.5
149.09665	0.4
149.13310	0.9
157.10153	0.5
163.11174	0.7
173.09642	0.5
175.11227	0.4
184.07336	18.1
185.04062	0.3
185.07671	2.4
191.10654	0.4
193.12224	0.9
194.12491	0.4
203.05374	0.7
243.08449	1.1
267.12183	1.0
267.15991	4.5
268.16202	1.8
283.15613	0.5
323.14511	0.4
335.25961	0.7
337.27328	3.2
338.27606	2.3
380.60559	0.3
411.19919	0.8
413.17636	0.9
467.18887	1.1
474.37082	0.4
485.19818	1.8
519.29358	4.3
529.39026	1.3
530.38934	3.5
547.39813	0.7
548.40045	2.3
689.42047	0.8
713.46063	1.8
745.41638	2.1
763.41327	100.0
764.41388	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	763.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.03431	0.9
60.79259	0.6
61.02924	1.3
67.05500	2.9
69.03424	1.1
69.07084	1.0
69.23267	2.8
70.37985	0.6
73.02906	1.2
79.05488	1.4
81.03413	1.1
81.07041	3.1
83.08615	0.9
85.02916	1.0
91.03960	0.8
91.05489	0.9
93.07055	2.0
95.08582	1.6
97.02882	1.4
105.07069	0.6
106.88608	0.5
107.08583	1.0
109.10155	1.3
116.04638	0.6
119.08577	1.0
121.10125	0.6
136.11964	0.6
147.95317	0.6
151.00563	0.6
184.07402	0.8
186.90762	0.7
193.73189	0.5
195.95815	0.6
267.15930	0.9
287.75696	0.6
323.25650	0.8
347.58896	0.6
372.92230	0.6
408.40540	0.7
519.29230	1.4
521.31110	0.7
546.80902	0.7
717.41302	1.3
745.39612	0.7
763.40179	100.0
764.40424	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	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01867	0.7
55.05517	1.6
57.03432	1.6
61.02925	3.5
67.05503	4.4
69.03426	3.0
69.07066	1.8
71.01334	0.3
71.04998	0.8
73.02919	3.4
79.05499	3.5
79.58488	0.3
81.03417	1.8
81.07053	5.5
81.07495	0.3
81.96944	0.3
83.04987	0.7
83.08635	1.0
85.02893	3.9
85.06603	0.3
91.03962	2.4
91.05475	2.5
91.48176	0.3
93.07041	4.5
95.05000	0.9
95.08605	1.9
97.02890	2.6
97.06551	0.6
97.10170	0.4
99.04478	0.7
99.08085	0.5
101.02412	1.3
105.04546	0.4
105.07052	1.6
107.08601	2.3
109.06547	0.4
109.10173	0.6
111.08085	0.7
111.57315	0.3
117.07049	1.0
119.08594	1.0
121.10169	1.3
123.11784	0.3
125.09636	0.4
127.03935	1.4
131.08582	0.9
133.10175	1.2
135.08090	0.5
135.11699	1.2
140.13376	0.3
145.10147	0.4
147.11703	0.5
149.13257	1.6
159.11725	0.5
171.74330	0.3
177.12772	0.4
184.07393	0.7
185.04298	0.5
185.76379	0.3
195.13884	0.5
235.13196	0.9
243.08408	2.5
269.17682	0.5
278.07889	0.3
291.15906	0.7
333.20499	1.0
389.23032	0.6
439.18896	0.6
445.33371	0.3
453.20911	9.8
469.20621	0.8
551.28442	4.7
601.37305	0.5
665.35309	1.6
745.37726	0.8
763.42261	100.0
764.42548	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	763.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01875	0.6
55.05507	1.4
57.03436	0.9
59.85302	0.3
61.02929	3.5
65.03960	0.3
67.05505	4.0
69.03432	2.3
69.07075	2.0
71.01386	0.2
71.05015	0.5
73.02924	2.9
79.05499	3.1
81.03028	0.3
81.03416	1.5
81.07055	5.0
81.07495	0.3
83.05003	0.5
83.08630	1.0
85.02908	3.8
87.04472	0.4
91.03941	2.3
91.05463	2.4
93.07041	3.9
95.04977	0.9
95.08624	1.9
97.02897	3.5
97.03493	0.3
97.06538	1.1
99.04473	0.4
99.08118	0.3
101.02390	1.0
103.03965	0.4
105.07021	1.5
107.04942	0.3
107.08597	2.7
109.10149	0.5
111.08112	0.3
117.07020	0.7
119.08602	0.8
121.10126	1.3
127.03924	1.1
131.08595	1.0
133.10153	1.2
135.11723	0.9
145.10146	0.3
149.13239	1.7
159.11757	0.7
177.12854	0.5
185.04242	0.3
195.13808	0.3
203.05376	0.5
235.13145	0.9
243.08379	2.5
269.17685	0.6
291.15759	0.3
313.16791	0.2
333.20285	1.8
389.22903	0.5
427.19388	0.5
439.19662	0.7
453.20969	9.3
469.20468	0.6
535.28174	0.4
551.28174	5.3
601.37762	0.4
606.37769	0.3
754.01489	0.3
763.42340	100.0
764.42676	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	763.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01875	1.1
55.05519	2.3
56.05829	0.4
57.03443	2.6
58.96802	0.4
60.08172	0.9
61.02930	4.6
67.05505	7.8
68.05840	0.5
69.03432	3.6
69.07057	2.9
70.68315	0.5
71.01365	0.7
71.04994	0.6
71.07372	0.4
73.02921	4.7
79.05487	4.7
80.05820	0.4
81.03419	7.2
81.07057	7.4
82.03767	0.4
82.07359	0.4
83.04996	1.4
83.08620	2.3
84.07087	0.4
85.02900	5.7
85.06554	0.4
86.09702	5.4
87.10025	0.4
91.03963	3.0
91.05473	3.0
93.07050	5.3
95.04956	2.2
95.08601	4.8
97.02892	4.5
97.06548	1.0
97.10197	0.5
98.98489	0.7
99.04470	0.8
101.02367	1.9
105.07034	1.9
107.04984	0.9
107.08589	2.2
109.02878	0.7
109.06517	0.7
109.10168	2.7
109.64164	0.3
111.04448	0.4
111.08119	0.7
117.07040	1.2
119.08612	2.1
121.10126	2.2
123.08116	0.5
123.11752	0.7
125.00000	4.2
127.03909	1.0
129.07030	0.4
131.08624	1.2
133.10114	1.0
135.11693	1.7
139.11192	0.4
142.54787	0.3
145.10144	1.4
147.08118	0.5
147.11696	0.5
151.11282	0.5
157.10117	0.7
159.11789	0.4
163.11192	2.0
165.12756	0.4
173.09636	0.5
184.07341	18.4
185.04210	0.5
185.07704	2.7
193.12331	1.3
203.05325	0.5
204.39735	0.4
214.82930	0.4
227.12993	0.5
243.08366	1.8
267.12091	1.4
267.15851	4.1
268.16284	2.5
330.81802	0.4
335.25552	0.4
337.27429	3.7
338.27704	2.7
395.37173	0.4
413.18173	0.5
441.17447	2.8
467.19308	0.7
485.19971	4.0
519.29205	5.0
529.39056	1.7
530.39142	3.6
547.39880	0.7
548.40442	2.7
713.45813	1.5
719.40198	1.3
745.40631	2.2
763.42255	100.0
764.42737	7.6
773.22583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.05518	2.1
57.03439	2.6
60.08162	0.9
61.02928	3.9
67.05506	8.0
69.03444	1.7
69.07067	2.0
69.10046	0.8
69.10452	2.2
71.01360	0.8
71.04986	0.7
71.07395	1.0
73.02913	3.7
79.05493	3.8
81.03420	5.8
81.07059	7.9
82.07399	0.8
83.05002	0.7
83.08616	1.8
85.02906	4.3
86.09709	6.2
87.04470	0.6
87.10042	0.7
91.03951	3.5
91.05480	2.9
93.07047	4.3
94.07442	0.5
95.04967	2.6
95.08601	4.3
96.05344	0.4
96.08953	0.4
97.02906	4.9
97.06550	1.0
97.10196	0.5
98.98473	0.7
99.04498	1.0
101.02393	1.1
104.10746	0.8
105.07013	2.0
107.04960	0.7
107.08604	2.8
109.02887	0.7
109.10162	2.1
111.04488	0.7
115.03972	0.8
117.05434	0.3
117.07012	0.6
119.08566	1.9
121.10161	1.6
123.11732	0.8
125.00002	4.2
127.03953	1.7
129.07007	0.5
131.08653	1.3
133.10190	1.0
135.11731	1.9
145.10197	1.1
147.11745	1.1
149.09648	0.5
149.13266	0.7
161.13313	0.4
163.11292	0.9
167.46793	0.4
173.09697	0.5
175.11270	0.5
184.07344	21.7
185.04280	1.0
185.07698	2.3
193.12277	0.8
194.12720	0.5
203.05278	0.5
214.59698	0.5
243.08513	1.6
267.12088	0.7
267.16031	4.4
268.16254	2.0
292.07550	0.5
335.26038	0.7
337.27368	3.5
338.27646	2.9
411.20078	1.1
413.18109	1.1
467.18851	1.7
485.19730	2.9
519.29333	5.1
529.38965	1.3
530.39441	3.2
547.40015	1.2
548.40173	3.1
689.42554	0.8
713.45844	1.8
745.41541	2.7
763.41968	100.0
764.42499	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	763.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01880	0.5
55.05513	1.7
55.14180	0.4
57.03433	3.1
57.07072	0.9
61.02925	9.5
65.03952	0.6
67.05502	9.1
69.03431	5.5
69.07066	1.7
69.33705	1.7
71.01365	1.3
71.04991	4.9
73.02921	7.0
78.76768	0.4
79.05495	5.6
81.03424	3.2
81.07054	10.7
81.07504	0.8
83.05000	0.6
83.08632	1.8
83.68780	0.4
85.02900	8.2
87.04487	1.0
91.03947	6.9
91.04489	0.5
91.05485	4.5
93.07045	5.7
95.04967	1.1
95.08603	4.9
97.02889	8.1
97.03485	0.6
97.06548	1.2
99.04468	1.8
101.02386	3.3
103.03957	0.5
105.07026	2.6
107.08577	2.8
108.01849	0.5
109.02902	1.6
109.10131	2.4
111.08102	0.6
115.03975	0.7
117.07037	0.9
119.08607	1.0
121.10172	1.8
123.11732	1.7
127.03889	2.2
131.08591	2.1
133.10136	3.6
135.11720	1.1
145.05017	0.6
145.10072	0.5
147.11781	0.7
149.13319	1.5
151.11224	1.6
159.11746	1.3
177.12932	0.7
183.13734	0.8
185.04305	1.6
187.13344	1.0
203.05318	1.1
243.08418	4.2
244.75455	0.4
257.17590	1.0
267.15723	3.3
269.27963	0.4
280.83414	0.6
335.25848	1.5
393.31268	0.4
428.18124	0.5
441.20865	0.9
485.12711	0.6
485.23584	11.3
519.29309	9.0
519.36432	0.9
644.06152	0.5
750.94745	0.5
763.45972	100.0
764.46362	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	764.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
65.03932	1.5
67.05508	1.6
69.03426	1.5
72.91776	0.6
73.74894	0.6
79.05500	1.7
81.03432	2.3
81.04007	0.6
81.07058	0.9
85.02888	3.2
85.78136	0.6
91.05485	4.5
93.03439	0.5
93.07049	1.5
94.04198	0.9
95.04964	2.7
95.08581	1.3
103.05467	15.8
103.06110	1.2
105.07036	2.6
107.04947	3.0
107.08617	0.9
108.49901	0.6
109.06532	1.4
111.04472	1.2
115.05473	3.4
117.07039	3.0
117.07694	0.6
118.04163	3.4
119.04955	5.1
121.06490	1.0
122.03649	2.8
123.04427	2.2
125.06010	1.8
127.07494	0.7
127.88583	0.7
129.07004	1.0
130.04152	1.1
131.04926	34.8
132.05626	0.7
133.02849	1.7
133.06468	4.3
135.08072	2.5
136.05238	0.7
137.05972	71.3
138.06293	1.1
139.03859	0.8
141.05487	1.4
143.04941	2.3
144.05730	0.8
145.06479	4.6
147.04395	5.4
147.08052	1.5
148.05190	8.3
149.05980	2.5
151.03903	83.5
151.04974	5.4
151.07542	2.2
152.04301	1.3
153.05472	2.8
157.06456	1.7
159.07986	1.1
160.05179	1.3
161.05963	5.1
162.06743	0.8
163.03914	0.9
163.07535	24.3
165.05508	3.4
165.09045	0.6
167.07037	12.0
171.04424	0.8
173.05992	3.8
174.06795	0.8
175.07570	7.1
176.04710	1.6
177.05470	3.5
177.09116	1.8
179.07057	9.6
181.04951	19.2
181.08498	0.7
182.05313	0.7
183.06546	0.7
187.07587	3.5
189.05438	1.6
189.09067	1.8
190.06161	1.0
191.07024	100.0
192.07484	3.1
193.04907	1.2
193.08600	2.0
195.06537	1.2
201.05420	0.8
201.09148	0.8
203.07054	4.4
205.06631	1.1
205.08597	3.6
207.06464	1.2
207.10150	1.1
209.08029	3.3
217.08588	1.4
219.10179	2.2
222.06679	0.7
223.09619	1.7
227.06895	0.9
231.06458	1.2
233.08092	3.7
235.07565	1.2
235.09650	4.4
237.09059	1.7
249.09140	1.3
251.07053	0.7
255.10316	0.8
259.09619	1.1
263.09152	25.6
265.08606	2.1
266.09302	0.7
267.10107	1.5
277.08517	2.4
292.20950	0.6
293.07959	0.8
294.09052	0.7
295.09387	1.6
299.09103	1.0
309.11124	1.7
325.10638	1.8
327.12003	3.5
329.13782	1.7
337.10580	1.8
339.12347	1.4
341.13562	0.9
351.12054	1.1
355.11780	8.6
357.13358	1.5
359.14856	2.1
369.13220	4.7
387.14355	57.8
388.14600	3.3
405.22784	0.9
431.29044	0.6
460.57648	0.7
517.18048	2.0
549.21136	2.2
779.77185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
60.39785	0.9
65.03949	1.9
67.05486	2.5
69.03426	1.3
75.04460	1.2
79.05500	1.9
81.03416	2.6
81.07053	1.6
85.02888	4.2
91.05489	6.1
93.07034	1.3
94.04195	2.1
95.04957	4.0
95.08665	1.2
97.02885	1.4
97.06511	1.3
103.05466	16.4
105.01842	0.8
105.03391	0.9
105.07019	4.0
107.04941	3.1
108.02094	1.1
109.02918	1.1
109.06489	1.7
110.63953	0.8
115.05457	3.1
116.26452	0.8
117.07036	4.8
118.04143	2.6
119.04952	4.9
119.08559	2.0
121.06525	1.4
121.10127	0.8
122.03660	3.7
123.04446	2.0
125.05956	2.2
127.03938	1.9
129.06963	1.4
131.04929	32.3
133.02873	1.2
133.06528	4.5
135.08086	1.2
137.05972	73.6
143.04944	1.6
145.06520	4.9
147.04410	6.1
148.05203	7.9
149.05927	1.4
151.03908	86.6
151.04999	4.9
151.07559	2.5
153.05481	3.5
157.06477	2.5
159.04430	1.1
160.05161	1.7
161.05919	4.8
161.09666	1.1
162.06732	1.4
163.07541	22.2
165.05438	4.0
167.07042	14.2
171.04332	1.0
171.06544	1.8
173.05952	2.7
175.07558	7.3
176.04657	1.9
177.05440	3.5
177.09111	2.3
179.07024	11.7
181.04948	25.0
181.08487	1.0
181.16289	1.0
187.07542	2.2
189.05484	1.3
189.09099	3.9
191.07030	100.0
192.07352	2.8
193.08597	2.6
195.06461	1.1
201.05356	1.3
203.07037	3.6
205.08556	4.3
209.07939	4.2
215.07190	0.9
217.08568	1.7
219.10121	1.5
221.07974	1.2
223.09607	1.1
231.06479	1.3
233.08054	4.1
235.09599	4.1
237.09067	2.0
249.09064	1.6
259.09763	1.1
263.09164	26.6
267.10205	1.6
277.08600	1.4
279.10156	1.3
293.08252	1.4
294.09067	1.0
295.09433	1.5
297.11215	1.2
309.11249	1.4
325.10748	1.3
327.12201	2.8
329.13712	2.2
337.10614	2.0
339.12036	1.2
341.13773	1.9
351.12350	1.4
355.11798	8.9
357.13544	1.5
359.14807	2.4
369.13501	4.9
387.14359	67.5
388.14771	2.8
517.18640	2.0
549.20679	1.3
635.11310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	0.3
55.05510	2.7
56.05026	0.8
57.03436	1.5
57.07067	0.8
58.06613	0.4
60.08162	5.7
61.02905	0.4
67.05189	0.4
67.05507	2.9
69.03405	0.4
69.07063	2.8
71.04992	0.6
71.07386	2.9
71.08628	0.5
79.05482	1.2
81.03416	5.9
81.07052	2.9
83.04983	0.4
83.08607	2.4
85.02898	0.7
85.63216	0.3
86.09700	27.5
87.04459	0.5
91.03972	0.4
91.05469	1.3
93.07032	1.4
95.04953	1.4
95.08595	2.2
97.02894	0.4
97.06516	0.4
97.10158	1.0
98.98458	3.0
104.10731	1.9
105.07011	0.8
107.04942	0.5
107.08598	0.7
109.06486	0.3
109.10148	0.8
111.11719	0.4
119.08544	0.7
121.10120	1.1
123.11694	0.6
124.99995	18.7
129.10690	0.3
131.08592	0.6
131.09447	0.4
135.11682	0.9
147.11690	0.7
149.13213	0.4
157.10179	0.5
175.11194	0.5
184.07332	100.0
185.07646	0.8
193.12202	1.7
267.15915	9.6
268.16220	0.5
302.48184	0.3
311.25906	2.0
311.73334	0.4
339.28915	6.4
340.28882	0.4
457.36996	0.3
473.96762	0.4
503.37241	1.8
531.40479	6.2
549.41211	1.3
601.29761	0.4
714.47009	10.9
715.46680	0.4
718.42596	0.4
764.44904	4.3
765.43066	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	765.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.03432	1.5
57.07067	1.8
57.69128	0.6
60.08167	1.5
61.02927	2.1
67.05512	4.4
69.03439	1.2
69.07068	3.4
69.28625	0.6
70.09529	0.6
71.07378	0.9
71.08630	0.8
73.02914	1.4
78.37317	0.6
79.05486	2.7
81.03423	7.8
81.07062	4.2
83.08624	3.1
84.05276	0.8
84.08965	0.6
86.09709	7.0
87.04431	0.8
91.03923	1.1
91.05476	2.1
93.07036	2.2
95.04958	2.3
95.08626	3.1
97.02879	1.5
97.10157	1.1
98.98457	1.2
101.02420	0.8
102.48717	0.6
105.07031	1.6
107.08579	1.5
109.10152	1.5
119.08582	1.5
121.10146	1.5
125.00035	4.6
129.07013	0.7
131.08536	0.9
133.10100	0.9
135.11656	0.9
147.11633	1.7
169.06865	0.8
184.07352	21.1
185.07635	3.0
187.07921	0.7
193.12204	1.8
229.14255	0.8
230.77747	0.7
267.15872	7.1
268.16315	2.1
311.25946	0.8
313.27365	1.5
330.08044	0.8
339.28836	3.8
340.29306	3.7
505.38770	2.5
521.30682	1.6
531.40002	0.9
532.40710	4.9
535.26587	0.8
585.76495	0.7
707.43201	1.1
715.46814	2.4
747.42859	1.3
764.46259	1.0
765.41718	100.0
766.42273	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	765.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48545	0.3
55.05503	1.5
57.03431	1.6
58.53110	0.4
61.02922	6.9
65.21890	0.3
67.05503	4.9
69.03424	3.7
69.07066	1.5
71.01358	0.6
71.04993	1.1
73.02907	4.6
79.05481	3.9
81.03415	2.5
81.06623	0.5
81.07064	5.1
83.04968	0.8
83.08614	0.9
86.09695	0.6
87.04480	0.6
91.03952	3.8
91.05493	2.2
93.07052	4.1
95.04964	0.7
95.08604	3.8
97.02892	5.9
97.06578	0.8
97.10149	0.4
99.04450	0.9
101.02392	1.9
105.04543	0.4
105.07023	1.7
107.08603	2.5
109.02914	0.9
109.10165	1.6
115.03889	0.4
119.08585	1.4
121.10133	2.9
123.11730	0.8
125.00040	0.6
127.03931	1.6
129.07030	0.5
131.08607	1.2
133.10143	1.2
135.11703	1.0
135.84929	0.3
139.11230	0.6
145.04930	0.5
145.10147	0.6
147.11694	1.2
149.05957	0.8
149.09624	0.4
149.13339	0.5
157.10095	0.6
161.13370	0.5
175.11217	0.6
184.07355	3.0
185.04179	0.6
193.12387	0.5
203.05437	0.6
205.99400	0.4
225.11089	0.8
243.08389	2.8
251.12611	0.7
267.15891	0.5
269.13571	2.2
335.25861	1.0
339.44498	0.4
443.18945	3.2
469.20514	0.9
487.21396	3.1
519.29315	9.6
520.29950	1.0
591.31671	0.5
721.41345	2.1
747.42902	1.3
765.43872	100.0
766.44305	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	765.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05511	1.3
57.03429	1.7
61.02926	3.9
67.05505	5.4
69.03435	2.1
69.07079	1.3
69.37037	1.4
71.04993	1.7
71.08654	0.4
73.02917	2.9
79.05487	2.8
81.03425	1.2
81.07055	4.6
83.05000	0.5
83.08625	0.8
86.09680	0.4
86.45875	0.3
91.03965	2.5
91.05482	2.4
93.04527	0.3
93.07046	4.1
94.11009	0.3
95.04991	1.2
95.08588	2.1
97.02901	3.2
97.06557	0.5
99.04479	0.9
101.02386	1.9
105.07037	1.3
107.08594	2.6
109.02913	0.6
109.10167	1.7
111.08064	0.4
115.03970	0.3
117.07026	0.7
119.08613	1.3
121.06476	0.3
121.10114	1.4
126.11705	0.3
127.03942	1.3
129.07025	0.4
131.08589	0.9
133.10089	1.4
135.11737	0.9
137.09695	0.8
141.92041	0.3
147.11693	0.6
149.13316	0.9
159.11717	0.4
161.13242	0.3
179.14389	0.3
185.04344	0.6
195.13913	0.3
203.05368	0.6
235.13086	0.7
243.08337	3.1
253.14250	0.9
269.17465	0.3
301.09055	0.4
315.10406	0.4
317.21027	0.4
335.21988	0.9
427.19308	0.5
439.19577	0.7
453.20926	4.6
454.21576	0.5
469.20383	0.7
471.22116	3.8
512.47778	0.3
535.28680	2.2
537.30408	0.5
543.24084	0.5
553.29791	3.2
665.35480	1.1
765.43866	100.0
766.44141	8.6
789.61017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05510	1.3
57.03434	2.0
61.02932	5.1
62.49053	0.3
67.05502	3.8
69.03431	2.7
69.07072	1.2
71.01357	0.4
71.05003	0.9
71.43495	0.4
73.02917	3.5
73.35789	0.3
74.44283	0.3
79.05499	2.9
81.03411	2.7
81.07066	4.1
83.04953	0.3
83.08633	1.0
87.04484	0.5
90.90943	0.3
91.03961	3.6
91.05479	2.1
93.07034	3.9
93.07528	0.4
95.04982	1.1
95.08611	2.9
97.02892	4.3
97.06541	0.6
97.10175	0.5
99.04462	0.8
101.02400	1.7
101.54607	0.3
103.03965	0.7
105.07059	1.3
107.08603	1.3
109.02914	0.7
109.10168	0.8
111.70643	0.3
115.03938	0.5
117.07066	0.3
119.08610	1.0
121.10132	2.8
127.03918	1.7
131.08542	1.4
133.10132	0.5
135.11699	0.8
139.11227	0.6
145.04976	0.4
147.11737	0.8
149.09644	0.7
157.10117	0.4
167.10817	0.3
175.11220	0.6
184.07365	0.4
185.04222	0.8
193.12332	1.0
203.05305	0.5
225.10980	0.3
243.08368	2.9
251.12604	0.7
267.16110	0.5
269.13574	2.2
305.32919	0.3
315.10413	0.5
330.43677	0.3
335.26089	0.6
425.18036	0.7
443.18924	4.9
445.94177	0.4
469.20346	2.9
487.21524	5.4
519.29315	6.7
591.31964	0.6
721.41058	1.0
747.42401	2.0
765.43884	100.0
766.44232	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.03437	2.0
61.02931	7.4
64.05958	0.9
67.05508	7.0
69.03432	3.1
69.07076	2.7
71.05001	2.0
72.92369	0.7
73.02911	5.5
79.05505	1.2
79.86794	0.6
81.03428	2.1
81.07060	8.0
83.04981	0.9
83.08627	1.3
91.03960	4.0
91.05495	2.6
93.07077	2.2
95.04979	0.9
95.08609	5.1
97.02888	5.1
99.04456	1.2
101.02401	2.5
105.07027	1.2
107.08581	1.0
109.02885	1.0
109.10195	2.0
115.03971	0.9
121.10179	1.7
123.11769	1.1
125.47348	0.7
127.03962	2.0
133.10181	1.7
137.34926	0.7
145.05006	0.9
147.11739	0.7
149.13309	1.0
151.11217	0.8
185.04308	1.5
243.06297	0.7
243.08519	3.2
263.23724	0.7
267.15744	2.5
337.27487	1.6
378.13901	0.7
433.68854	0.7
485.23630	7.0
521.30890	9.0
640.23517	0.8
688.97986	0.9
765.47546	100.0
766.47809	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	766.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
58.62030	0.8
65.03936	5.3
67.05489	1.8
69.03419	1.3
71.44335	0.9
75.04460	1.1
75.49068	0.8
77.03904	0.9
79.05488	3.1
79.80475	0.7
82.04180	1.3
85.02905	3.3
91.04987	0.9
91.05473	4.4
91.05978	0.8
93.03402	3.0
95.04978	3.0
98.46466	0.7
99.14794	0.9
103.05450	2.6
105.07051	2.7
107.01316	2.4
107.04961	4.0
107.08614	0.9
109.06525	1.0
110.03654	3.9
111.04446	7.4
115.05454	1.4
117.07030	2.0
119.04955	3.9
121.02846	3.5
121.06487	2.7
122.03661	1.6
123.04403	5.4
124.05208	1.0
125.05997	8.0
128.06250	1.4
129.06999	9.6
131.04915	5.0
131.08527	1.5
133.02873	3.8
133.06503	3.6
135.04431	3.3
135.08028	2.0
137.05974	24.5
137.07018	1.7
139.03900	6.8
139.07619	1.3
141.07005	1.4
143.04869	1.1
144.05728	0.9
145.06450	4.6
147.04446	5.1
147.07979	0.9
149.02310	1.3
149.06020	4.5
151.03922	3.8
151.07552	8.2
153.05473	19.0
157.06485	8.6
158.07199	1.2
159.04408	1.6
159.08086	3.0
160.05214	1.2
161.05949	6.4
162.06674	1.1
163.07526	7.5
165.05464	2.2
165.06946	1.8
165.09201	0.9
166.07677	0.8
167.07080	11.3
167.08463	1.5
169.06462	1.9
173.05952	0.9
174.06731	6.6
175.07549	8.9
177.05466	6.6
177.09113	1.1
178.07814	1.3
179.07022	4.8
179.08417	1.2
181.04959	13.7
181.06416	1.3
181.08621	1.9
187.07506	4.4
188.08321	1.8
189.05487	2.0
189.09100	24.7
191.06989	2.0
191.10760	0.9
193.06645	1.0
193.08606	2.2
195.08087	2.0
199.07442	2.0
201.09129	2.0
203.07018	2.2
205.06549	1.6
205.08504	1.9
206.07301	1.0
207.08098	1.9
209.06117	1.9
209.08078	6.3
210.06717	1.9
211.07515	1.9
213.09042	2.2
213.72382	0.8
215.06995	1.3
217.06444	2.2
217.08588	4.8
218.07266	1.5
219.08052	5.0
219.10097	24.7
221.05940	2.8
221.08075	5.6
221.09503	1.1
221.09888	1.6
223.07562	2.8
225.09096	2.6
227.06934	1.3
227.10759	1.6
230.27699	0.8
231.07971	1.3
233.05879	1.0
233.09711	1.2
234.06735	3.2
235.07480	2.7
235.09651	2.1
236.08296	2.1
237.09038	4.3
238.06306	0.9
238.09891	3.2
239.07072	1.5
239.10680	2.2
240.07759	4.2
241.08607	2.5
243.57388	0.9
247.07588	2.6
248.08287	1.8
249.05360	1.6
249.06717	0.9
249.09073	6.9
250.09912	1.3
251.07040	2.3
251.10652	2.7
252.07742	1.5
253.08572	9.9
253.12129	4.2
254.09286	1.4
255.10141	2.9
257.08249	1.8
260.08240	0.9
261.09100	4.7
262.06311	1.4
263.06949	2.4
263.10748	1.4
264.07852	1.2
265.08420	3.8
266.09344	2.3
267.06592	1.0
267.10098	3.5
268.07196	1.1
269.08090	3.5
269.11429	1.4
270.08832	2.2
277.08475	6.8
278.09366	2.7
279.06937	0.9
279.10001	4.2
281.08115	3.1
281.11700	6.8
282.08743	1.2
283.09656	6.1
284.10107	1.3
285.07599	1.1
285.11124	3.0
289.08484	1.2
291.10089	1.6
293.08179	1.7
293.11597	2.2
294.08737	1.8
295.09546	5.9
296.10535	2.5
297.11102	4.3
298.11996	1.6
299.09616	1.4
299.12610	4.9
300.09766	1.5
301.10788	1.3
307.09595	2.3
308.10312	1.4
309.11197	6.8
310.11862	3.2
311.12735	6.3
313.10657	7.3
313.14258	4.3
313.17291	0.9
314.11334	1.0
321.11145	2.8
323.12814	1.1
325.10635	0.9
326.11377	1.3
327.12253	18.5
328.13004	2.7
329.13821	35.5
330.14282	1.7
331.15329	3.2
335.06265	0.9
339.12283	16.4
339.15839	0.7
340.12784	1.0
341.13879	6.8
343.15445	5.2
353.13867	2.3
355.15692	1.0
357.13306	19.5
357.17645	1.2
358.13544	1.6
359.14871	100.0
360.15268	4.1
361.16400	3.4
371.14871	62.9
372.15271	2.3
375.14258	4.1
389.15927	41.5
390.16229	1.7
409.47226	0.9
437.47162	0.8
491.20682	1.2
509.21652	2.5
521.21484	1.1
526.65778	1.0
771.64044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.4
57.67309	1.1
65.03947	5.8
67.05490	1.4
69.03443	1.4
69.15308	2.0
69.15722	5.1
79.05512	1.5
82.04217	1.2
85.02908	3.7
90.64557	1.1
91.05473	4.0
93.03409	1.7
93.07042	1.0
95.04967	4.8
96.83255	1.1
98.22686	2.5
100.11246	2.0
103.05477	4.5
105.04519	1.2
105.07031	2.7
107.01321	2.3
107.04959	3.6
109.02942	1.1
109.06510	1.3
110.03690	3.8
111.04436	9.8
115.05463	2.9
117.07036	1.9
119.04968	3.8
121.02871	3.1
121.06528	3.6
122.03678	1.7
123.04433	6.4
125.05978	7.5
128.06241	1.8
129.07002	11.6
129.17206	0.9
131.04968	7.6
131.08543	1.8
133.02866	3.9
133.06509	3.3
135.04431	1.3
135.08072	2.4
135.67026	1.0
137.05980	30.4
139.03912	8.4
139.07521	1.2
141.07062	2.0
142.25766	1.1
145.06473	4.5
147.04466	6.1
147.07988	1.4
148.05183	1.2
149.02364	1.5
149.06006	4.6
151.03900	4.4
151.07556	9.7
153.05455	19.7
157.06476	14.2
159.04387	1.8
159.08064	2.5
160.05225	2.9
161.05997	5.3
162.06734	1.6
163.07564	7.5
165.05453	2.6
167.07036	11.6
167.08380	1.6
168.07538	1.1
169.06555	1.3
171.06519	1.1
173.06058	2.1
174.06775	7.1
175.07533	12.5
177.05457	7.8
179.07069	5.1
179.08511	1.8
181.04979	17.4
181.06471	1.8
181.08562	2.5
183.06593	1.1
187.07573	5.4
188.08281	2.1
189.05495	1.7
189.07214	2.4
189.09100	32.2
190.09680	1.1
191.06993	2.2
191.08589	1.5
193.08609	2.7
195.06425	1.2
195.08064	1.5
199.07651	1.8
201.09158	5.0
203.07036	1.9
205.08543	2.5
206.07336	1.9
207.08124	2.2
207.09972	1.5
209.08096	7.1
209.09787	1.8
211.07642	1.3
217.06502	3.9
217.08629	6.8
218.07249	1.7
219.08089	4.4
219.10147	29.0
220.10606	1.2
221.06070	2.0
221.07930	8.5
222.08817	1.1
223.07666	2.0
224.08382	1.7
225.09077	2.8
226.06157	1.5
227.06911	1.5
229.08499	1.6
233.09807	1.5
234.06824	3.5
235.07562	2.2
236.08353	2.0
237.09142	4.2
238.06155	1.9
238.09972	2.6
239.06990	2.6
239.10641	1.9
240.07857	4.3
241.08598	1.6
246.06837	1.7
247.07465	2.7
248.08321	1.4
249.09085	8.4
250.09859	1.5
251.07047	2.9
251.10652	4.5
252.07755	2.2
253.08591	10.3
253.12239	4.3
254.09352	1.9
255.06606	2.0
255.10181	3.7
257.08133	1.9
261.09094	5.5
262.09882	2.2
263.07056	2.6
263.10672	2.8
264.07816	2.0
265.08636	4.3
266.09357	4.2
267.06589	1.3
267.10205	2.1
269.08136	4.3
269.11679	2.1
270.08871	1.6
277.08551	9.4
278.09372	3.9
279.10223	4.7
281.08170	3.5
281.11749	7.8
282.08926	2.5
283.09756	6.6
283.12561	1.2
284.10367	2.1
285.07800	1.5
285.11172	2.7
289.08505	1.2
291.10223	2.6
293.11624	2.5
294.08884	1.7
294.17480	1.2
295.09576	6.5
296.10352	2.2
297.11258	3.5
298.11819	1.6
299.12738	5.1
300.09943	2.0
301.10904	1.0
306.08923	1.2
307.09534	2.3
308.10330	1.6
309.11069	7.5
310.11798	1.9
311.12836	7.6
313.10675	7.7
313.14465	4.6
321.11264	3.9
324.10007	1.3
325.10730	1.2
326.11246	1.6
327.12231	23.4
328.12814	3.9
329.13824	39.7
330.14145	1.4
331.15372	2.8
339.12311	16.8
340.13098	1.9
341.13849	5.7
343.15414	4.2
345.16980	1.3
353.13785	2.8
355.15341	1.2
357.13309	18.9
357.17355	1.0
359.14886	100.0
360.15402	5.1
361.16425	3.6
371.14902	80.1
372.15079	4.3
375.14301	6.4
389.15945	44.7
390.16504	1.3
509.21561	2.6
536.95160	1.2
748.55426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.5
57.03410	1.5
57.07078	30.9
57.24471	0.8
59.04965	1.7
61.02902	2.5
67.05476	3.5
67.51205	1.0
69.03403	1.9
69.07075	4.8
69.46954	2.1
69.47366	2.1
71.08634	41.5
73.02898	2.1
73.06519	3.1
79.05472	3.2
81.03372	1.2
81.07018	3.2
82.13270	0.8
83.23337	0.9
85.02889	2.2
85.10155	2.5
85.55060	0.8
86.09689	0.9
87.04467	30.1
89.06032	100.0
91.03923	1.4
91.05471	11.0
91.07578	1.2
93.07050	7.3
94.89053	0.9
95.04976	4.3
95.08573	3.2
97.02867	2.3
98.23447	1.6
98.72627	0.9
103.05438	1.9
105.04520	1.2
105.06987	4.1
107.04964	1.2
107.07033	2.5
107.08601	4.2
109.02838	0.9
109.06503	1.1
109.10130	1.5
117.06975	1.7
117.09087	1.9
118.07734	2.7
118.84322	0.9
119.04906	3.4
119.08579	8.2
121.05747	1.2
121.06509	18.8
121.10085	3.2
127.03925	1.7
130.08627	2.2
131.07028	11.6
133.08607	65.8
133.10092	1.7
135.08018	4.2
135.11671	2.5
143.30287	0.9
145.10059	1.1
147.08057	12.1
149.09641	4.6
150.06715	1.7
163.07487	1.4
163.11070	3.1
165.09135	5.9
167.10695	1.3
175.09679	7.9
175.11095	1.5
177.11224	27.8
191.10593	3.8
193.12172	1.8
193.24236	0.8
209.11642	3.0
211.13200	2.9
213.88159	0.9
219.12219	3.0
221.13712	5.9
235.13112	3.4
239.14891	1.5
247.18352	1.3
247.20572	17.5
255.15813	2.9
265.16370	2.5
273.21930	3.6
279.15839	1.4
283.17596	1.9
289.21777	1.4
289.24786	1.6
291.20071	1.6
291.23154	23.5
299.18451	1.7
309.18976	1.6
317.24658	3.6
335.25836	7.6
353.21344	1.3
397.24274	1.0
470.20840	1.3
492.03033	1.0
520.29523	1.5
623.35999	2.2
748.43097	1.4
749.50586	9.5
766.42792	39.0
767.43402	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	768.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
55.05509	14.9
57.03436	6.2
57.07084	1.4
59.05033	0.9
61.02910	0.9
65.03957	1.0
67.05503	28.4
69.03419	5.1
69.07072	16.9
71.04985	1.5
77.03912	1.7
79.02172	0.9
79.05492	35.5
81.03413	6.5
81.07053	26.6
83.04990	7.6
83.08616	6.7
85.02917	1.3
85.06550	1.0
87.04442	0.9
91.05481	32.1
93.06448	2.1
93.07041	34.0
95.04968	12.5
95.08607	15.4
97.02908	6.1
97.06539	4.9
97.10168	7.1
103.05480	1.1
105.04527	2.8
105.07026	22.8
107.04967	6.7
107.08583	12.5
109.06518	3.5
109.10165	5.2
111.08108	1.5
116.79750	1.0
117.07031	7.8
119.04910	1.1
119.08575	16.9
121.06500	2.1
121.10123	4.6
123.08073	4.0
125.09631	4.9
128.06233	1.8
129.07005	9.7
130.07759	1.2
131.08537	5.5
133.06529	2.5
133.10103	7.0
135.08076	3.2
135.11668	1.4
137.09619	1.5
137.17993	0.9
143.08580	6.4
145.10109	6.8
147.08066	4.0
147.11682	14.7
149.09621	1.2
149.13277	1.2
152.41086	1.1
157.10172	1.5
159.11702	1.7
161.09641	3.7
161.13249	4.4
163.11180	2.3
165.09085	1.1
169.10045	1.0
171.11691	9.6
175.11324	2.0
177.12732	1.4
185.13208	1.2
189.11227	1.9
189.12769	4.7
193.12265	1.1
193.45888	0.9
205.12201	1.5
207.13759	11.5
223.13286	10.2
227.12770	3.8
245.19061	1.2
249.14767	2.1
273.18497	12.2
279.15839	1.4
281.17474	43.1
282.17810	2.1
291.19540	61.7
292.19852	1.6
316.65610	1.1
347.22202	2.1
365.23224	25.1
396.30319	1.0
405.71487	1.0
451.26709	1.1
473.28973	2.7
491.30081	1.2
553.35065	3.7
571.36292	100.0
572.36670	4.4
651.00275	1.2
768.44739	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50998	2.1
55.01873	5.6
55.05509	16.3
57.03437	7.2
60.44940	2.3
67.05501	47.5
67.05866	3.2
69.03423	6.0
69.07063	16.6
69.36475	6.2
69.36893	5.4
71.04975	2.6
77.03924	3.4
79.05048	4.0
79.05492	50.7
81.03404	8.3
81.07053	45.1
82.07410	2.6
82.74396	2.3
83.04995	12.3
83.08611	8.9
85.02904	2.4
85.06541	2.9
91.05479	48.2
93.07042	53.2
95.04961	19.7
95.08613	23.9
97.02889	4.4
97.06527	7.0
97.10179	4.6
105.07034	43.8
107.04942	10.0
107.08575	23.3
109.06523	8.0
109.10146	22.2
111.08104	3.6
117.07029	11.9
119.08572	20.7
121.06500	8.5
121.10153	7.0
123.08044	6.4
123.11711	5.0
128.06178	2.7
129.07005	11.2
131.08528	14.0
133.06474	6.0
133.10130	34.5
135.08047	8.8
135.11603	5.6
143.08551	10.1
145.10120	13.0
147.08061	5.4
147.11679	21.6
149.09598	7.6
151.11189	12.9
157.10013	3.1
161.09598	6.6
161.13240	7.7
169.12241	3.5
171.11696	16.9
177.09113	3.2
189.12761	4.6
207.13803	13.4
223.13301	4.9
245.18904	4.2
251.12837	5.0
253.14301	30.0
253.16592	3.1
255.17543	3.1
273.18454	29.1
281.17450	43.9
291.19547	46.5
309.20642	2.9
347.22174	8.9
365.23270	26.3
475.26358	2.8
477.28351	20.3
553.35602	14.5
554.35449	2.4
571.36255	100.0
572.35962	6.5
622.93103	2.8
768.44550	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	769.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73135	0.2
81.46476	0.2
83.01115	0.4
84.01862	0.2
88.29427	0.2
91.05513	0.2
95.01085	1.2
96.01862	0.5
98.22704	0.5
103.05458	0.2
105.77338	0.2
112.01347	0.5
113.02125	1.8
119.04981	0.3
123.04445	0.3
131.04944	0.6
137.06000	1.6
147.04433	0.2
151.03967	0.8
157.04659	0.2
167.03162	0.4
177.05345	0.5
181.04988	0.5
185.04208	2.3
191.07140	0.6
201.03767	0.9
202.06058	0.3
203.05258	6.9
228.86447	0.2
381.11713	0.4
395.11008	1.4
410.13336	3.4
411.14182	0.6
559.19623	1.2
589.20178	0.5
769.26727	100.0
770.27051	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	769.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81319	0.6
55.05516	1.6
57.03438	2.6
57.07077	1.8
61.02921	4.1
67.05510	3.4
69.03442	2.0
69.07070	2.9
71.04993	0.9
71.08624	0.8
71.84677	0.6
72.92492	0.5
73.02933	2.3
79.05497	2.2
81.03419	3.0
81.07069	4.4
81.07497	0.7
83.04993	0.6
83.08636	1.9
85.02909	4.6
85.10181	0.6
86.09720	1.3
91.03951	3.5
91.05501	2.3
93.07053	2.7
95.04987	1.4
95.08614	2.4
97.02888	4.5
97.06522	0.6
97.10168	0.8
101.02384	1.4
105.07055	1.4
107.08624	1.5
109.10184	0.8
111.08100	0.5
119.08585	1.1
121.10165	2.0
125.73097	0.6
127.03961	1.8
133.10216	0.7
135.11656	0.9
139.11235	0.9
146.98245	0.8
149.09624	1.2
166.56522	0.6
175.11176	0.6
185.04234	0.8
193.12268	1.0
209.11842	0.7
235.27789	0.6
243.08513	2.2
251.12563	0.8
267.16055	0.8
269.13742	1.1
313.27487	0.9
339.29059	0.6
425.17944	0.7
443.18823	3.0
469.15112	0.7
469.20529	3.4
487.21439	4.8
523.32416	5.7
586.42181	1.7
595.34497	0.9
625.37256	0.7
710.41119	1.0
714.15411	0.8
725.44855	1.5
751.46625	2.0
769.47076	100.0
770.47290	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	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.7
55.05263	1.2
55.05512	21.1
57.03442	8.2
57.07071	2.1
59.04996	1.8
65.03938	2.8
67.05505	62.2
69.03429	3.6
69.07068	21.4
69.86623	2.0
71.04980	3.6
71.43503	0.8
73.06548	1.8
77.03904	2.1
79.05492	65.3
81.03416	13.5
81.07057	61.8
83.04977	15.1
83.08614	11.2
85.02897	2.3
85.06544	2.5
91.05482	56.7
93.07046	70.2
95.04967	19.9
95.08604	32.5
97.02865	3.4
97.05912	1.0
97.06528	12.8
97.10152	4.5
98.23419	1.2
99.08075	2.1
101.35356	0.9
103.05444	1.3
105.04512	2.8
105.07030	42.1
107.04950	8.5
107.08592	28.8
109.02810	1.3
109.06510	8.5
109.10148	9.8
109.47981	1.1
111.08088	3.7
115.05489	2.4
117.07022	14.5
119.08574	30.9
120.74457	1.0
121.06508	5.3
121.10146	11.3
123.08073	7.5
123.11703	1.4
125.09593	3.2
127.03854	1.3
128.06189	3.1
129.06996	13.1
131.08566	11.1
133.06529	1.5
133.10136	18.6
135.08044	3.2
135.11693	9.9
137.09599	2.2
139.11127	1.1
141.06978	1.4
143.08569	8.1
145.06563	1.1
145.10124	16.8
147.08101	1.5
147.10564	2.0
147.11684	26.7
149.09613	9.2
149.13242	5.7
151.11201	1.9
155.08539	1.8
157.10120	3.3
159.11728	8.9
161.09586	3.5
161.12027	1.2
161.13245	8.6
163.11194	8.2
168.56847	1.0
169.10141	2.3
171.11690	18.5
173.09592	1.4
173.13306	2.5
177.12732	3.4
179.14334	3.1
181.12091	1.2
183.11726	1.3
185.13252	1.3
189.11256	1.5
189.12706	7.2
195.13776	2.2
203.12880	1.0
205.49068	1.1
207.13797	20.3
225.14722	2.3
227.12708	6.4
229.14394	1.3
233.31517	1.0
239.17867	2.3
242.96207	1.2
253.14423	2.2
255.15897	4.3
257.18991	7.2
269.17465	14.9
275.20047	24.1
279.15887	1.4
281.17465	57.3
282.17661	1.9
283.15292	1.8
291.19705	1.2
293.21097	2.6
308.46027	1.1
331.22809	1.8
349.23730	16.9
367.24905	2.1
435.27209	2.8
451.27029	3.0
457.29669	2.1
459.31488	1.3
461.28955	25.4
462.29181	1.3
475.30554	100.0
476.31018	4.7
491.30011	1.3
510.45383	1.1
515.33423	1.7
537.35858	2.9
555.36804	41.4
556.36627	3.0
573.38263	5.8
619.34485	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.7
55.05514	14.4
57.03444	8.1
57.07061	0.9
59.70026	1.0
65.03947	3.8
67.05505	46.1
69.03432	3.5
69.07071	15.4
69.09729	6.6
70.06563	0.9
71.05002	2.6
73.02915	1.2
73.41105	1.0
77.03929	2.1
79.05494	51.1
81.03424	8.6
81.06570	2.4
81.07056	47.6
83.04983	10.8
83.08619	9.0
85.02921	2.8
85.06536	2.5
85.66719	1.3
91.05481	42.9
93.07046	54.1
95.04972	16.7
95.08607	21.4
97.02883	3.0
97.06519	9.2
97.10163	3.1
98.23533	1.7
99.04510	1.1
105.04525	2.7
105.07031	31.7
107.04946	5.8
107.08598	19.9
109.02893	1.8
109.06535	5.5
109.10162	6.2
111.04463	1.2
111.08091	4.1
115.05468	1.6
117.07021	9.5
119.08580	20.3
121.06540	4.1
121.10152	9.6
123.08058	3.8
123.11750	2.1
125.09646	2.3
128.06261	2.1
129.07007	10.0
131.08553	8.8
133.06522	1.4
133.10130	15.3
135.08081	1.5
135.11668	6.6
137.09657	1.5
143.08560	5.3
145.10129	11.2
147.08051	2.3
147.11676	21.7
149.09627	5.5
149.13232	5.3
151.11111	1.3
155.08420	1.3
157.10106	1.2
159.11644	6.8
161.09648	3.5
161.13249	7.2
163.11206	4.2
169.10152	1.4
171.11681	13.4
173.04430	1.8
173.13254	2.8
177.12746	2.0
179.14336	1.1
183.11786	1.5
189.11351	1.0
189.12741	5.4
195.13803	3.7
205.12195	1.1
207.13797	12.7
215.18102	1.2
225.14787	1.0
227.12749	2.0
239.18007	1.1
253.14290	5.0
255.15785	4.7
257.19009	2.8
269.17508	15.4
275.20044	12.9
281.17465	37.1
282.17712	1.6
283.15366	2.8
291.19543	1.5
293.21021	1.7
349.23767	10.9
365.22977	1.2
367.24936	2.2
435.49661	1.2
461.28946	20.9
462.29373	1.7
475.30563	100.0
476.31079	5.5
527.37451	1.1
555.36798	23.2
556.37634	1.9
573.37543	5.9
579.78778	1.0
592.81659	0.9
605.33057	1.5
619.34613	2.7
661.10529	1.0
771.39093	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	770.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.3
55.05260	1.4
55.05513	27.2
56.54867	1.1
57.03443	13.2
57.07077	1.7
59.04996	1.2
61.02925	1.2
62.18630	0.9
65.03934	3.8
67.05507	85.1
68.55595	1.0
69.03435	7.3
69.06711	2.3
69.07066	30.3
71.05000	8.0
73.02912	1.5
73.06538	1.1
77.03934	3.1
79.05492	99.3
80.05831	1.7
81.03418	17.6
81.07058	90.2
83.04980	21.5
83.08624	18.4
84.13416	1.1
85.02901	5.0
85.06541	5.6
86.09699	4.0
91.05479	84.4
93.07044	99.9
94.07386	1.8
95.04971	27.1
95.08607	47.0
95.09223	2.5
97.02885	3.8
97.06528	17.9
97.10156	9.6
99.04466	4.1
99.08110	2.8
103.05486	3.1
105.04536	6.1
105.07030	62.0
107.04958	15.2
107.08590	46.7
109.02889	2.4
109.06528	10.6
109.10151	22.8
111.08065	5.4
115.05466	1.7
117.07016	21.0
119.08585	38.6
120.08133	1.9
120.15007	1.0
121.06519	9.9
121.10140	19.2
121.54999	1.1
123.08089	6.3
123.11675	5.2
125.05992	2.4
125.09602	5.2
127.03901	3.1
127.07560	1.9
128.06229	3.6
129.07005	15.5
130.07797	1.8
131.08574	17.6
133.06480	4.4
133.08589	1.3
133.09177	2.1
133.10127	33.8
135.08084	6.5
135.11691	26.8
137.09604	4.1
139.07579	2.6
139.11176	1.3
141.07013	2.3
142.07788	2.1
143.08562	10.3
145.10123	28.8
147.08057	3.4
147.11681	38.5
149.09605	12.1
149.13243	6.9
151.11174	11.1
155.08577	3.3
157.10107	3.1
159.08054	1.7
159.11679	11.6
161.09666	5.3
161.13252	13.3
163.11174	23.1
166.80675	1.1
169.10132	2.6
169.12213	1.7
171.10338	1.8
171.11697	19.8
172.18204	1.1
173.04387	2.2
173.13232	4.5
175.11244	2.1
177.12732	3.4
179.14273	2.7
181.10199	1.6
181.12233	4.1
183.11621	1.5
185.13222	1.6
187.11224	2.5
187.14810	1.5
189.11198	2.3
189.12740	11.0
195.13770	3.0
197.13258	1.8
201.21451	1.0
205.12186	1.1
207.13829	19.6
208.14351	1.3
225.14819	2.3
227.12793	22.4
229.14294	2.4
229.19633	2.3
239.17867	3.5
245.19020	2.1
251.12741	2.3
253.14340	45.6
255.15936	4.9
257.19040	7.5
263.20004	1.1
267.15842	1.9
269.17441	13.1
273.18530	9.1
275.20044	31.3
279.15964	2.2
281.17480	100.0
282.17899	2.9
283.15372	16.8
291.19568	10.7
293.21048	1.9
331.22559	1.5
334.16599	1.4
335.16757	2.6
347.22104	4.4
349.23746	17.5
365.23245	16.3
377.23288	1.7
400.18149	1.2
409.20438	1.3
435.27533	7.1
451.26917	4.5
457.29706	2.0
459.31052	2.8
461.28964	26.1
475.30563	85.4
476.30780	5.0
479.26279	4.2
498.59274	1.2
515.33875	2.1
537.35773	2.7
555.37061	36.6
556.36786	3.3
571.25696	1.8
572.25879	1.9
573.33923	25.3
574.35071	1.7
601.26221	6.0
619.34369	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	771.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	3.4
63.93983	0.8
65.41130	0.8
69.19356	4.7
74.99633	0.8
76.70688	0.8
78.83942	0.8
79.66031	0.8
81.11656	0.8
88.46523	0.8
98.65140	0.7
100.99838	0.8
139.00673	1.1
153.60324	0.8
165.02251	0.9
167.03691	1.1
169.01738	0.9
171.03275	0.9
183.03328	7.1
185.04880	1.4
193.01671	1.6
193.05354	1.3
201.04373	5.7
211.02756	8.7
211.06479	1.5
219.03267	3.1
221.04912	1.4
229.03835	46.2
237.04305	13.9
239.05894	5.3
247.02583	1.4
247.04918	12.2
255.05403	34.8
257.06979	2.0
265.03894	4.8
273.06418	6.7
283.04855	14.4
301.05939	43.0
319.06998	7.4
324.07489	1.0
325.62540	0.8
455.12244	6.4
481.13843	2.4
509.13287	2.9
523.52063	0.8
527.14380	100.0
528.14734	3.6
535.17181	0.8
713.36237	0.9
772.12555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05510	11.8
57.03438	5.1
57.07069	2.0
61.02927	15.0
65.03931	1.6
67.05504	24.6
69.03426	7.0
69.07063	9.4
69.09967	4.5
71.01350	1.1
71.04990	2.5
73.02924	8.9
79.05492	18.1
81.03420	4.4
81.07054	21.9
83.04993	1.7
83.08614	5.9
85.02897	12.2
85.06562	1.2
91.03963	6.1
91.05475	15.3
91.05992	1.3
93.07038	15.8
95.04969	3.2
95.08600	18.3
97.02887	13.6
97.06529	2.1
97.10165	2.1
99.04439	1.3
101.02378	2.2
101.08375	0.9
105.04535	1.3
105.07024	15.6
107.08596	10.4
109.02885	1.1
109.06509	1.6
109.10164	7.3
117.07014	8.6
119.08582	10.4
121.10145	6.4
123.08073	1.5
123.11715	2.2
125.09578	0.9
125.77846	0.8
127.03903	2.0
128.06232	2.3
129.05508	0.8
129.07010	10.3
131.08559	10.6
133.10121	8.3
135.11684	2.9
141.06982	3.7
142.07800	3.3
143.08549	11.7
143.64679	0.8
145.10121	12.1
147.11664	4.8
149.13306	1.1
151.50922	0.8
153.06999	2.3
155.08539	10.7
156.09361	2.0
157.10133	11.3
159.11707	9.0
161.13231	2.5
163.11156	1.1
165.06995	1.0
167.08589	4.4
167.19209	0.8
168.09276	1.4
169.10129	13.8
170.10965	1.2
171.11702	9.8
173.13240	4.6
175.14886	0.7
179.08531	1.5
181.10043	5.5
182.10921	1.1
183.11674	11.6
184.64734	0.8
185.13272	7.9
187.14815	3.7
189.16321	0.8
192.09419	0.8
193.10158	2.6
195.11707	5.8
197.13260	9.2
199.14845	4.2
201.16385	1.7
203.18018	0.8
207.11652	3.1
209.13240	5.2
211.14857	5.0
213.16444	3.3
213.87163	0.9
215.17845	0.9
219.11842	1.1
221.13242	1.8
221.95740	0.9
223.14754	4.4
225.16405	3.7
227.18053	1.9
233.13304	1.2
235.14825	2.4
237.16469	2.6
239.17921	1.3
249.16447	1.2
251.17975	2.0
263.17999	0.9
265.19611	1.2
299.20126	0.9
323.23621	1.5
335.25717	1.2
337.25220	1.5
339.26688	1.2
365.28574	1.5
391.25809	1.0
429.31647	1.0
447.32147	1.2
449.34464	0.9
501.35208	1.2
517.40509	6.8
527.37415	1.2
535.41327	2.4
539.37231	1.6
541.39227	1.6
545.37836	2.2
591.44012	6.9
607.43274	1.5
609.45111	100.0
610.45245	6.4
667.40094	2.5
717.46973	1.0
735.47430	1.4
753.48944	2.0
771.42773	50.8
772.41357	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.05502	0.7
56.60056	0.2
57.03435	2.6
57.07084	0.6
57.89570	0.2
61.02924	4.0
65.03939	0.6
67.05519	0.3
68.99797	0.3
69.03426	11.3
69.07066	1.5
69.15429	0.4
69.15844	0.7
71.01357	0.3
71.04994	1.3
71.08634	0.7
73.02916	1.9
79.05476	0.2
81.03409	3.6
81.07056	0.3
83.01357	0.5
83.04980	0.7
83.08615	1.1
85.02901	52.4
85.10184	0.3
86.03257	0.3
87.04501	1.0
91.03951	3.2
93.03410	0.7
93.07068	0.2
97.02890	14.6
97.10162	0.3
99.04448	2.2
101.02402	0.3
103.03933	1.9
106.31096	0.2
107.04953	0.5
107.08488	0.2
109.02875	4.9
111.04443	2.3
115.03929	0.5
116.96938	0.2
121.02865	2.1
123.04433	0.8
125.02364	0.3
127.03911	13.3
128.04218	0.2
135.04402	0.5
137.05972	0.2
139.03893	100.0
140.04219	1.1
145.04950	27.0
146.05316	0.2
147.04359	0.3
147.07971	0.2
149.05931	0.9
151.07513	0.3
153.05452	0.9
155.03352	0.2
161.06009	0.2
162.07631	0.5
163.04010	2.0
163.06018	13.4
163.07471	1.0
163.14893	0.2
169.04959	1.4
175.03708	0.2
177.05499	1.5
179.03400	0.4
180.08707	1.0
181.04964	0.8
187.14903	0.2
191.03317	0.2
193.05009	0.7
205.04961	2.3
205.15886	0.4
218.05458	0.2
219.06653	0.2
233.15358	1.6
235.05949	0.3
241.07115	0.2
247.06085	0.4
251.16412	8.7
253.06993	0.3
265.07062	0.3
269.17459	44.0
270.17865	0.9
271.08090	0.3
281.17380	0.4
289.09052	0.8
289.18039	0.3
293.17477	1.6
305.17355	0.4
309.16895	0.5
311.18430	0.3
317.17465	0.7
325.11252	2.6
331.19073	0.6
335.18500	6.4
347.18268	0.2
359.18567	1.4
377.19586	2.3
395.20621	4.3
413.21500	0.5
431.22693	1.3
721.97168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27006	1.4
55.01869	10.1
55.05261	2.2
55.05507	33.3
57.03436	25.2
57.07071	1.9
59.05003	26.8
61.02924	2.6
61.35062	1.5
65.03918	4.4
65.36466	1.6
67.05503	86.1
69.03419	5.9
69.07071	12.4
70.73038	2.7
71.01357	2.3
71.04988	19.3
79.05043	3.0
79.05489	45.3
81.03416	100.0
81.07052	47.5
82.01783	1.5
83.04978	19.9
83.08618	28.6
85.02889	6.0
85.06523	4.4
87.04463	30.4
91.05479	45.7
93.07040	31.6
95.04968	39.3
95.08600	17.8
97.02876	8.2
97.06525	11.1
97.10163	14.5
99.04450	11.4
99.08094	2.7
103.05441	1.6
105.07030	26.7
107.04958	17.8
107.08593	25.5
109.02850	2.0
109.06532	9.2
109.10149	50.5
111.04446	11.8
111.08073	13.5
113.05993	1.8
115.05473	3.0
117.07023	9.5
119.08572	26.6
121.02867	4.2
121.06490	12.5
121.10139	22.5
123.04425	7.1
123.08047	5.1
125.09627	13.7
129.06996	16.7
131.04897	3.0
131.08562	22.2
133.06500	7.4
133.10133	15.9
135.04395	6.6
135.08075	5.3
135.11662	10.4
137.05974	5.3
137.09604	5.0
139.07474	2.1
139.11150	2.2
141.07013	3.6
142.07771	5.1
143.08565	5.7
145.06445	3.5
145.10127	11.6
147.04349	3.9
147.08040	6.5
147.11665	14.6
149.05954	3.0
149.09622	24.8
153.09102	6.8
153.12735	9.2
155.08557	4.4
155.10683	3.9
157.10114	20.8
159.11662	2.8
161.05951	4.8
161.09573	1.8
163.11174	17.6
165.12759	3.8
173.09639	2.8
173.11732	7.2
173.13110	1.9
175.07623	1.9
175.11153	19.0
181.12222	5.0
183.11607	2.6
185.13281	2.0
187.07593	1.9
189.11192	11.9
189.12654	2.3
191.10655	8.8
193.12238	51.9
197.15343	4.5
199.13245	6.8
203.14330	4.0
205.12245	2.3
209.11732	13.6
211.11354	2.5
211.13268	49.4
213.12694	2.9
215.02827	1.5
217.12222	2.7
217.14221	2.9
219.13812	3.6
223.13190	3.9
225.14801	10.6
227.12753	18.7
229.12216	2.8
229.14339	38.5
231.13817	4.8
235.13266	4.0
241.14140	2.1
243.13837	2.6
247.13235	7.4
249.14879	14.9
253.14406	2.6
259.13254	1.8
265.14651	2.3
267.13116	3.4
267.15915	60.4
271.13284	1.7
273.14603	3.9
277.14380	3.0
283.15363	13.1
295.15570	1.7
301.14313	2.2
309.16943	3.1
310.10898	1.9
315.18057	4.6
321.16940	1.6
333.18994	2.0
337.21475	5.5
347.20242	1.8
355.22632	5.7
365.21228	10.0
373.23706	5.9
383.17572	2.0
383.22232	24.7
384.22247	1.7
391.24814	2.3
397.23245	2.3
401.23224	22.6
403.24683	1.6
404.00815	1.7
415.24927	3.9
419.24310	2.3
421.25818	25.5
422.26096	1.6
433.25858	9.0
447.27298	4.9
457.25705	7.0
475.26895	22.5
489.28479	4.1
493.27499	10.0
507.29459	24.8
525.30804	11.6
546.84161	1.7
561.65192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.3
55.05514	29.5
55.05781	1.6
57.03439	14.8
59.05008	1.4
61.02926	3.5
62.80901	0.8
63.24024	0.8
65.03946	3.5
67.05507	71.8
68.05827	1.0
69.03435	10.2
69.07072	25.8
71.04990	10.2
72.22536	0.7
73.02912	1.8
74.18153	0.7
76.37883	0.7
77.03954	1.3
79.05495	50.9
80.05836	0.9
81.03046	0.6
81.03419	53.4
81.07059	78.2
82.07410	1.9
83.04981	23.5
83.08621	23.4
85.02909	18.2
85.06550	8.7
87.71409	0.7
91.05482	72.1
92.38696	0.8
93.07047	49.7
95.01343	1.3
95.04973	34.0
95.08613	26.2
96.05263	0.7
96.14506	0.8
97.02897	8.0
97.06538	10.1
97.10178	8.6
99.04464	2.5
99.08106	2.7
103.05476	1.6
105.04545	2.8
105.07032	61.9
107.04955	17.5
107.08596	41.9
109.02885	1.9
109.06518	13.2
109.10161	44.1
111.04468	4.7
111.08088	11.7
113.06003	4.1
115.05430	4.0
117.07022	12.2
119.05003	1.7
119.08586	30.1
119.42056	0.8
121.06510	8.8
121.10149	12.6
123.04469	1.5
123.08082	6.1
123.11700	9.3
125.09620	5.6
127.03959	1.4
127.07597	2.9
128.06242	3.3
129.07021	13.9
130.07771	0.9
131.08572	22.5
133.06506	7.6
133.10132	72.7
134.10492	1.0
135.08054	10.8
135.11684	8.0
137.05974	1.5
137.09647	3.7
139.07516	0.9
141.07005	1.2
142.07803	3.5
143.08569	6.4
145.06511	2.6
145.10114	11.1
147.08063	7.7
147.11678	16.8
149.09622	12.1
149.13258	2.6
151.07631	1.1
151.11186	27.4
153.09102	1.0
153.12714	1.4
155.08566	1.6
157.10121	15.6
159.08083	2.7
159.11742	4.4
161.09631	7.5
161.13309	2.9
163.07498	1.1
163.11217	4.6
165.12700	1.9
169.10144	2.2
169.12216	3.9
171.11613	3.9
173.09637	1.9
173.13234	1.3
175.11188	13.6
177.09183	1.9
177.12735	1.5
179.10739	1.7
179.14291	1.0
181.12282	1.8
183.11714	1.0
184.91132	0.9
185.13298	1.3
187.11211	0.8
189.11205	2.4
189.12738	1.2
191.10632	1.1
193.12247	33.2
194.12485	1.0
195.13852	1.1
197.11736	0.9
199.11308	1.0
205.12329	1.2
209.11714	1.2
211.13298	53.8
212.13737	1.0
215.12816	3.1
215.14767	0.9
216.43735	0.9
223.13269	7.3
227.12790	3.2
227.18094	1.5
245.18990	4.1
249.15050	2.0
251.12750	2.1
253.14342	100.0
254.14748	3.8
255.17601	1.8
263.20081	3.8
267.15915	17.9
267.39084	0.8
269.14606	0.8
269.17419	2.0
271.15353	1.8
273.18509	23.3
274.18835	1.5
275.20078	4.2
283.15353	4.6
285.16971	38.1
291.19543	50.9
292.19925	1.5
301.16403	1.0
309.20566	2.3
329.21106	1.1
347.22104	9.1
349.23709	1.3
363.21426	1.1
365.23248	46.9
366.23807	1.8
445.25824	3.6
447.29349	1.0
459.27164	1.2
463.26923	12.9
464.27213	1.0
465.20752	1.3
477.28439	2.9
481.28036	8.8
482.28125	1.0
483.31116	0.9
517.30664	0.8
525.36078	1.5
539.33868	5.0
540.34711	1.0
543.36786	3.0
557.34741	32.6
558.34918	2.6
575.35797	78.6
576.36127	7.4
593.36066	1.2
699.34833	2.2
772.38849	4.1
773.40704	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.7
55.05510	39.5
57.03429	29.4
59.04983	3.6
61.02923	5.1
62.94990	2.2
65.03918	3.7
67.05499	84.9
67.05867	4.0
69.03444	11.0
69.07063	37.9
69.19353	8.7
71.04989	12.6
72.04514	2.9
75.67924	2.1
76.78889	2.1
77.03899	2.6
79.05488	77.8
81.03411	81.3
81.07052	100.0
83.01321	3.3
83.04980	30.8
83.08605	32.0
85.02892	22.7
85.06532	7.9
90.05492	2.0
91.05470	80.3
93.07036	69.6
95.04964	48.0
95.08602	34.6
97.02907	11.9
97.06516	16.3
97.10165	12.6
98.23540	4.6
99.04451	3.1
99.08068	5.3
105.07024	67.6
105.37542	2.3
106.07325	2.5
107.04946	21.8
107.08579	50.7
109.06522	20.8
109.10143	50.7
111.04447	6.3
111.08051	12.6
113.06004	4.3
115.05434	3.5
117.07016	17.7
119.08573	37.8
121.06527	12.9
121.10135	26.7
123.04429	2.8
123.08056	12.9
123.11719	8.5
125.09617	7.4
127.07554	3.0
128.06235	3.2
129.06992	17.3
131.08572	30.0
133.06493	10.6
133.10118	72.2
134.10440	2.9
135.08051	12.6
135.11693	12.0
137.09608	7.2
142.07759	4.8
143.08551	6.5
145.06470	2.9
145.10077	21.5
147.08041	12.2
147.11653	18.0
149.09607	15.9
149.13240	6.2
151.11165	25.1
153.09113	2.8
153.12628	3.1
155.08507	2.3
157.10110	20.7
159.08058	2.9
159.11711	9.6
161.09596	7.9
163.07562	3.7
163.11180	17.6
165.12787	3.5
168.69884	2.2
169.10127	2.7
169.12265	2.6
171.11661	6.5
173.09663	4.3
173.13339	2.1
175.11197	18.5
177.09132	3.7
181.12212	3.1
185.13176	2.7
187.11218	2.5
189.11237	3.0
189.12833	3.1
191.10658	3.4
193.12230	46.7
195.13750	3.4
199.11240	3.1
205.12218	3.1
209.11731	3.5
211.13264	55.7
223.13272	7.6
227.12746	10.2
227.17795	2.5
245.19038	5.6
249.14767	5.3
253.14320	60.1
257.18976	2.4
263.20053	3.7
267.15869	48.3
269.17365	18.9
271.15240	3.5
273.18463	37.9
275.20068	7.0
283.15332	26.1
285.16949	55.8
289.17838	4.7
291.19528	59.5
309.20432	4.3
347.22034	13.2
349.23425	5.4
365.23193	60.1
366.23447	3.3
428.67194	2.8
445.25757	5.9
459.27200	2.7
463.26709	22.9
465.98700	2.5
477.28412	27.0
481.27844	17.7
529.34906	3.6
539.33124	11.2
557.34680	79.0
558.34698	5.3
575.35706	93.6
576.35809	8.3
598.77618	2.6
773.40137	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	773.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.05508	2.0
57.03429	1.6
61.02924	2.6
64.57880	0.4
67.05502	5.7
69.03438	3.0
69.07066	2.3
71.01351	0.6
71.05003	0.6
71.77979	0.4
73.02916	2.0
79.05494	5.3
80.05849	0.6
81.03407	2.3
81.07050	6.2
83.04996	1.3
83.08615	1.3
85.02900	3.1
85.06541	0.5
91.03954	1.7
91.05481	5.8
92.05801	0.5
93.07056	5.3
95.04961	2.4
95.08604	2.3
97.02894	3.0
97.06551	1.2
97.10197	0.7
99.04485	0.8
101.02398	0.9
105.07037	4.4
107.04982	0.9
107.08592	2.7
109.02881	0.8
109.10122	2.3
111.04448	0.5
117.07030	1.3
119.08579	2.4
121.10183	0.9
123.08099	0.8
123.11742	0.6
125.09586	0.6
127.03938	1.0
129.07024	1.2
131.08627	1.2
133.10117	3.0
134.10475	0.5
135.08098	0.5
143.08580	0.8
145.10144	1.0
147.11725	2.0
149.09599	0.5
151.11224	1.1
159.11717	1.0
161.09692	0.5
161.13219	0.4
171.11694	1.2
185.04297	0.8
203.05388	0.4
223.13370	0.8
243.08472	2.5
247.13283	0.8
253.24153	0.5
265.39166	0.4
267.15909	0.6
276.20337	0.6
291.19540	0.8
331.18915	1.8
465.20944	8.0
544.37164	0.7
549.26666	5.0
576.39044	0.6
773.40735	100.0
774.41162	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	773.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
55.05509	2.5
57.03440	2.3
58.37841	0.3
60.76595	0.4
61.02927	4.0
65.03931	0.4
66.23796	0.3
67.05505	6.4
69.03428	3.4
69.07064	1.7
69.32645	1.5
71.01343	0.7
71.04993	1.1
73.02919	3.4
79.05494	7.5
81.03419	2.4
81.07058	7.8
82.07402	0.4
83.04992	1.3
83.08630	1.4
85.02901	4.2
85.06546	0.4
87.04455	0.5
91.03947	2.7
91.05479	6.9
92.05842	0.3
93.07043	6.4
95.04960	2.7
95.08600	3.6
97.02888	4.3
97.06535	1.0
97.10210	0.4
98.22703	0.6
98.45313	0.3
99.04444	0.8
99.08134	0.4
101.02396	1.4
103.03965	0.5
105.04556	0.7
105.07034	5.5
107.04979	1.0
107.08598	2.5
109.02898	1.1
109.06515	1.3
109.10181	1.4
111.08067	0.4
117.07058	1.5
119.08566	3.5
120.08919	0.4
121.06518	0.8
121.10164	1.0
123.08087	0.7
127.03948	0.7
129.05499	0.5
129.07036	1.5
131.08591	1.3
133.10133	3.3
135.11719	0.8
143.08618	1.1
145.10132	1.2
147.11679	2.6
149.09679	0.7
151.11189	0.5
159.11742	0.8
161.09605	0.5
161.13278	0.9
163.11220	0.4
171.11655	1.6
175.11243	0.6
185.04236	0.8
187.25150	0.3
189.12810	0.5
193.12332	1.0
203.05264	0.6
243.08418	2.9
247.13048	1.8
273.18573	0.4
275.20135	0.4
281.17548	0.7
288.34232	0.4
313.17828	1.2
315.10461	0.5
331.18759	3.5
335.25876	1.2
371.16492	0.4
387.21777	0.4
451.19550	0.9
461.00839	0.4
465.20929	11.8
517.35822	0.5
518.35693	0.9
531.25891	1.4
537.22681	1.7
543.36835	0.7
544.37317	2.9
549.26398	2.6
575.39435	0.7
576.39575	1.2
605.02014	0.4
675.33099	2.0
704.34070	0.8
755.39825	6.8
756.39984	0.5
773.40796	100.0
774.41113	6.0
781.71710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05510	3.0
55.53429	0.3
57.03438	2.2
61.02929	3.6
65.03948	0.4
67.05504	5.7
68.05837	0.4
69.03429	3.2
69.07076	3.6
70.73092	0.4
71.01366	0.4
71.04986	1.0
71.32247	0.3
73.02924	2.4
79.05493	5.9
81.03415	2.3
81.07053	5.0
83.04996	1.3
83.08623	1.2
85.02905	4.0
85.06541	0.5
91.03953	1.7
91.05491	4.2
93.07044	4.5
95.04974	1.9
95.08609	1.8
97.02901	4.4
97.06552	0.6
97.10174	1.8
99.04478	0.9
101.02402	1.3
105.07037	3.4
107.04971	0.9
107.08598	2.4
109.02862	0.6
109.06508	0.6
109.10156	1.5
111.08121	0.5
117.07046	0.7
119.08566	2.4
121.10177	0.5
123.08102	0.7
125.09639	1.2
127.03904	0.7
129.07022	1.2
131.08604	1.0
133.10152	1.7
135.08034	0.6
135.11711	0.5
137.09637	0.5
138.00664	0.3
143.08575	0.6
145.10095	0.9
147.11685	2.0
154.99223	0.3
159.11703	0.5
161.09680	0.4
161.13303	0.7
171.11684	0.6
177.12724	0.4
185.04210	0.6
189.12827	0.4
223.13263	1.8
243.08380	4.2
247.13141	1.4
250.32565	0.4
273.18436	0.4
275.20139	0.5
281.17786	0.5
288.97458	0.3
291.19409	1.6
301.08890	0.4
303.15857	0.4
331.18924	1.4
333.24606	0.3
357.32892	0.4
438.17056	0.4
465.20938	7.7
488.30423	0.4
501.36224	0.4
543.36383	0.4
544.37109	0.8
549.26746	5.5
576.39465	0.6
773.40765	100.0
774.41101	7.6
803.81293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05519	5.8
56.05834	0.8
57.03447	4.9
59.49030	0.6
61.02934	3.6
67.05508	13.1
68.05834	1.2
69.03419	3.4
69.07068	4.4
69.70113	2.0
70.07398	0.6
71.05014	1.2
73.02924	2.4
75.36353	0.6
79.05496	11.9
79.83105	0.6
80.05814	1.0
80.07814	0.6
81.03412	6.6
81.07057	12.3
81.07500	0.9
82.03750	0.8
82.07407	1.0
83.04987	3.9
83.08616	3.2
84.08959	0.7
85.02915	4.6
85.06561	2.2
91.03973	1.9
91.05482	13.4
92.05829	1.6
93.07045	12.1
94.07352	0.7
95.04974	8.2
95.08610	4.7
97.02883	3.7
97.06547	2.3
97.10184	1.8
98.23489	0.8
99.04479	1.0
101.02405	1.2
105.04527	0.8
105.07034	8.9
106.07393	1.1
107.04984	2.0
107.08588	6.8
109.02883	0.9
109.06549	2.7
109.10170	4.4
111.08099	1.6
113.06011	4.6
115.05442	0.8
117.07047	3.3
119.08562	5.3
120.08960	0.8
121.10175	2.3
123.08082	1.3
123.11731	1.1
125.09686	1.4
127.02605	0.7
127.03941	1.5
129.07027	2.4
131.08592	2.5
133.06546	0.8
133.10117	6.8
134.10536	1.3
135.08090	2.3
135.11726	2.5
138.96884	0.7
143.08585	1.8
145.10124	3.3
147.08066	1.9
147.11713	4.2
148.12076	0.9
149.09663	1.9
149.13300	1.0
151.11246	2.0
153.12883	0.8
157.10167	1.9
159.11722	1.9
161.09657	1.4
161.13266	0.8
163.11255	1.7
165.09248	0.6
171.11781	2.1
175.11224	1.4
193.12320	2.1
194.12579	1.0
211.13315	3.1
212.13705	1.1
217.16022	0.7
227.12901	1.5
229.14357	0.8
243.08499	2.4
247.13185	1.7
253.14328	3.9
254.14832	1.1
267.15906	1.5
268.16376	0.8
269.17542	1.9
273.18555	1.9
274.18732	0.8
275.20084	1.4
276.20377	1.2
283.15561	1.0
285.16940	3.4
286.17410	1.8
291.19513	5.1
292.19946	1.9
315.03558	1.7
331.18848	4.4
335.39761	0.7
348.22711	1.1
349.23981	1.3
365.23163	3.5
366.23615	2.6
465.20984	7.8
469.22812	0.9
540.34137	0.9
549.26746	7.3
557.34863	1.2
558.35443	4.0
559.35992	1.0
575.35803	2.9
576.36121	9.9
577.37726	1.2
585.28741	2.5
689.33801	0.7
699.35785	2.1
773.40747	100.0
774.41034	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	773.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27070	6.2
69.27477	4.2
71.40997	1.8
84.19083	1.8
95.08620	1.9
98.22750	3.3
136.18703	2.5
281.25983	2.2
448.56552	1.8
453.35358	2.2
460.65259	2.2
490.15158	2.2
685.64160	2.0
713.17865	2.1
773.44421	100.0
774.45306	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	773.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15799	0.2
118.31467	0.2
146.60626	0.2
220.26712	0.2
307.76770	0.2
337.18399	0.3
442.61963	0.2
573.27197	0.3
728.49823	0.2
773.44458	100.0
774.44733	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.4
55.05513	29.6
57.03176	2.6
57.03436	22.1
59.04999	2.1
61.02920	4.4
65.03938	4.7
67.05501	77.5
69.03420	11.8
69.06715	1.9
69.07068	29.9
71.01360	2.1
71.04996	9.0
73.02898	3.4
77.03925	2.0
79.05488	66.1
81.03416	81.7
81.07055	89.6
82.69474	1.3
83.04979	23.3
83.08615	30.9
85.02901	31.0
85.06543	5.0
87.04478	1.6
91.05476	66.6
93.06446	3.1
93.07041	64.0
95.04967	37.2
95.08604	34.0
97.02356	1.6
97.02868	8.1
97.06528	15.8
97.10176	8.4
99.04438	1.8
99.08082	5.5
105.04514	2.5
105.07027	49.3
105.07741	2.6
105.48087	1.6
107.04948	13.5
107.08591	39.2
109.02882	2.5
109.06519	10.3
109.10143	12.9
111.04446	4.2
111.08080	12.8
113.06008	3.1
115.05437	1.9
117.07013	18.7
118.06479	1.3
119.08574	36.0
121.06528	7.3
121.10123	21.2
123.08048	7.6
123.11701	5.8
125.09577	6.5
127.03911	2.0
128.06241	2.3
129.05510	2.1
129.07002	18.5
129.96651	1.4
130.88396	1.4
131.08568	27.7
133.06467	5.1
133.10118	31.7
135.08044	4.6
135.11703	13.1
137.09598	4.6
139.11156	1.8
142.07767	4.1
143.08533	5.4
145.06543	1.9
145.10109	13.4
147.08070	5.1
147.11671	19.7
149.09619	14.3
149.13283	12.7
151.11180	2.6
155.08568	2.2
157.10109	17.7
159.08012	2.3
159.11676	13.0
161.09642	2.6
161.13194	3.5
163.11143	8.4
165.12737	4.3
169.10089	1.9
171.11656	3.9
173.04485	2.2
173.13281	6.7
175.11188	16.3
177.12766	4.1
183.11668	2.3
185.13277	1.9
189.11200	3.3
193.12245	43.2
194.12605	2.5
195.11884	1.6
195.13849	7.8
197.13353	1.8
203.14178	1.4
211.13271	65.4
215.18092	1.6
227.12730	6.3
229.19435	1.6
239.17932	3.1
247.20634	1.8
249.14870	1.9
253.14265	2.0
255.15836	13.8
257.18991	6.3
267.15897	42.6
269.17474	42.4
270.17804	1.6
273.18466	1.6
275.20016	22.4
277.87735	1.5
285.16956	67.8
293.21045	1.9
303.15622	1.5
309.20401	1.7
331.22641	3.0
349.23734	20.5
364.02463	1.7
367.24686	5.6
373.74841	1.6
413.21729	3.4
416.62714	1.7
431.29309	1.8
439.26685	2.3
443.27856	4.2
447.27335	11.2
461.28946	43.5
465.28387	17.6
479.30029	100.0
480.30310	4.4
541.35156	17.0
559.36310	30.5
577.36859	9.2
623.34125	4.9
660.09540	1.7
685.40210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	12.2
55.05510	47.0
57.03445	24.9
57.07063	2.5
58.42985	2.3
61.02923	6.2
61.32563	2.0
65.03938	3.8
66.07424	1.9
67.05505	87.5
69.03423	13.8
69.07069	40.8
71.04987	11.9
73.02956	2.3
78.50732	2.0
79.05490	83.5
79.05949	4.2
81.03416	90.8
81.07057	100.0
82.95932	2.1
83.04977	26.2
83.08622	44.6
85.02908	36.7
85.06559	5.5
91.05482	85.8
91.35442	2.5
93.07047	73.5
95.04969	47.1
95.08604	35.9
97.02909	10.6
97.06529	23.1
97.10166	14.5
98.23423	6.0
99.04470	5.9
99.08073	6.6
103.05457	2.7
105.04527	4.6
105.07023	66.2
107.04948	10.9
107.08598	40.9
109.06501	13.9
109.10136	14.2
111.04465	4.7
111.08090	16.9
113.06007	2.8
115.05417	5.1
117.07042	19.9
119.08584	49.6
121.06503	7.9
121.10137	30.9
123.08108	8.9
123.11719	8.3
125.09645	12.5
127.03935	2.3
128.06233	3.2
129.05493	2.7
129.06993	22.0
131.08571	37.7
133.06511	6.6
133.10129	40.2
135.08072	6.0
135.11668	16.4
137.09630	7.5
142.07816	6.4
143.08589	8.2
145.10135	20.1
147.08049	5.9
147.11702	29.5
149.09621	23.8
149.13235	10.5
151.11218	3.4
153.09082	2.3
155.08559	4.5
157.10120	21.3
159.11697	13.3
161.09607	3.5
161.13266	5.0
163.11171	14.4
165.12779	6.9
169.10083	4.0
171.11674	4.1
173.04474	3.5
173.13211	4.9
175.11238	21.2
177.12698	4.9
183.11650	3.5
184.07408	3.0
185.13298	3.2
189.11246	4.8
193.12257	66.7
195.13771	2.9
197.13312	2.8
211.13284	83.4
212.13609	2.7
227.12721	15.8
239.18040	2.9
255.15939	8.9
257.19003	10.4
261.14859	2.9
267.15906	39.6
269.17435	34.2
273.18546	4.7
275.20059	39.2
285.16962	92.2
291.19492	2.7
293.20959	3.6
331.22403	5.4
349.23752	44.5
367.24634	3.2
443.27890	3.2
445.29599	2.7
447.27380	14.1
455.26141	3.4
461.29037	31.9
463.31061	2.5
465.28470	23.1
467.30954	2.5
479.30035	87.4
480.30380	3.5
501.32050	4.1
541.35327	26.8
559.36285	62.9
560.36505	6.6
577.37103	12.5
599.30640	2.9
605.33057	2.6
623.34082	5.9
775.38135	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	774.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.2
55.05510	15.6
56.55288	1.6
57.03431	6.1
61.77671	1.6
65.03929	2.5
67.05508	56.4
69.03436	2.3
69.07069	14.1
71.04999	25.3
71.08633	26.5
79.05496	43.7
80.05848	1.8
81.03445	9.1
81.07060	74.8
83.04981	8.5
83.08614	11.7
85.02895	2.0
85.06535	5.2
85.44108	1.6
91.05490	38.5
93.07048	52.7
95.04968	8.7
95.08611	27.9
97.06547	9.4
97.10171	3.5
99.08099	15.9
105.07031	25.8
107.04977	5.6
107.08593	34.2
109.06525	4.8
109.10158	14.3
111.08096	3.4
113.09669	2.9
117.07017	6.4
119.08590	13.2
121.10143	21.4
123.08035	1.8
123.11728	8.7
125.09625	1.9
129.07074	2.9
131.08563	6.3
133.10124	26.6
135.11697	25.0
137.09586	2.8
139.11163	2.4
141.09120	3.4
143.08572	3.3
145.10097	2.1
147.11687	5.9
147.45465	1.7
149.09537	1.9
149.13257	10.6
151.11195	16.9
159.11699	7.6
161.13274	7.8
163.11162	5.9
163.14728	2.1
171.11606	2.1
173.13284	2.9
177.12642	4.2
179.14311	65.8
183.13777	5.6
185.13293	2.3
187.13322	2.3
193.12286	2.1
195.13811	3.4
225.14813	8.2
227.12798	2.2
235.16899	3.1
243.21114	2.6
251.16484	4.0
257.17447	2.2
261.22162	2.2
267.15945	3.8
269.17505	9.8
277.21643	31.0
290.75366	2.1
295.22684	2.0
299.14886	10.0
301.20087	29.5
335.25787	12.5
351.25275	19.0
356.31134	1.8
361.48111	1.8
379.47449	1.7
519.36914	34.3
520.36829	2.2
533.38684	10.6
545.38367	100.0
546.38580	6.9
559.36328	3.6
577.40997	70.3
578.41229	4.7
684.37958	6.4
689.42322	1.9
721.44879	4.9
775.40125	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	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
55.05514	20.8
57.03442	10.0
57.07071	1.9
59.05007	2.8
61.02931	6.7
65.03927	3.9
67.05503	66.9
68.05832	2.9
69.03436	5.7
69.07065	20.4
71.04992	33.7
73.02901	3.1
79.05495	43.7
81.03427	7.8
81.07053	85.8
82.07391	1.7
83.04984	7.2
83.08623	9.8
84.76732	1.4
85.02918	5.0
85.06528	8.7
87.04498	1.6
91.03974	1.6
91.05476	63.2
92.05823	3.0
93.07043	51.5
95.04968	9.0
95.08607	28.5
97.02907	3.3
97.06503	9.6
97.10168	3.5
98.23441	4.0
99.08093	2.1
101.02414	2.3
105.04526	2.7
105.07025	51.1
107.04989	1.8
107.08585	27.4
109.02885	2.6
109.06509	4.5
109.10147	16.5
111.08101	2.9
113.06109	1.5
115.05494	2.1
117.07009	17.3
119.08578	34.7
121.06537	3.8
121.10136	16.8
121.10902	2.1
123.08035	3.6
123.11729	9.6
123.12546	1.2
125.09661	6.8
127.03909	1.7
127.07554	1.9
129.06984	9.2
131.08565	22.4
132.17192	1.8
133.10123	37.2
135.08093	2.1
135.11678	11.9
139.11192	2.0
141.07040	1.5
142.07780	1.9
143.08563	9.6
145.10136	20.4
147.11697	21.4
149.09714	2.9
149.13261	9.7
151.11142	8.7
155.08583	3.5
157.10150	10.3
159.11691	18.1
161.13237	10.4
162.70854	1.3
163.14986	1.9
165.12671	1.8
169.10179	4.2
171.11685	10.1
173.04492	1.6
173.13234	8.3
175.11327	2.3
175.14859	3.2
177.12764	2.5
180.69829	1.5
181.10100	1.7
182.10646	1.5
183.11736	5.2
183.13789	2.7
184.07411	1.8
185.13300	8.1
187.13303	3.2
187.14850	3.8
192.98006	1.6
195.11676	2.1
195.13861	2.4
197.13414	2.3
199.14813	4.2
201.14874	3.5
213.16595	2.9
215.17989	1.4
227.16321	2.1
231.21237	2.3
241.19574	6.9
243.08546	2.3
243.15993	4.1
257.17548	6.0
259.20609	24.6
261.22113	2.1
267.15988	4.2
269.17636	4.5
275.20151	1.8
297.22412	2.6
301.20041	20.8
304.42493	1.5
315.23273	7.1
333.24249	23.2
335.25919	4.1
345.24179	1.4
346.36465	1.5
363.25882	1.5
409.31091	3.4
427.32306	1.9
435.32751	4.3
465.21304	5.3
466.21411	3.3
477.09222	3.2
483.34744	5.6
501.35730	62.5
502.36108	4.2
503.37494	3.8
509.36475	4.7
527.37305	49.7
528.37823	3.8
533.38464	8.0
545.38397	10.6
549.26971	1.8
550.27100	3.1
559.40033	23.2
560.40668	1.9
577.40430	2.5
715.31439	2.5
774.41125	100.0
775.41736	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	774.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.9
57.03428	15.2
57.25160	5.6
67.05215	4.9
67.05511	57.0
69.03445	5.9
69.07070	11.5
70.42343	4.4
79.05486	35.1
81.03413	88.2
81.07049	52.9
83.08621	23.9
91.05485	38.6
93.07049	43.3
95.04952	20.0
95.08616	41.5
97.10146	9.1
98.91957	5.7
100.77554	5.1
105.07033	20.6
107.08606	27.6
109.10143	22.6
111.08072	10.3
119.08588	25.0
121.10131	19.5
129.06955	6.3
131.08572	16.7
133.10110	12.0
135.11668	11.6
145.10080	8.8
147.11703	11.4
149.09625	7.0
149.13277	9.5
157.10123	8.2
159.11736	9.0
173.13257	5.6
174.32553	4.7
175.11183	11.7
193.12263	16.9
243.21227	6.9
261.22034	17.6
267.15909	100.0
301.25327	7.7
309.16971	5.7
335.25790	83.6
440.93430	5.7
471.34412	5.8
475.29852	5.6
527.37262	61.4
528.36945	5.4
545.38354	52.0
599.29431	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
55.05511	16.7
57.03434	16.4
57.07078	2.1
59.05004	1.1
65.03935	2.7
67.05505	66.3
69.03427	3.2
69.07066	13.9
70.72906	1.4
71.04985	4.7
77.03935	1.1
79.05489	39.8
80.27235	1.1
81.03416	75.9
81.07055	62.0
83.04986	5.4
83.08621	22.5
85.02920	2.1
85.06551	2.4
91.05476	33.7
93.07043	43.9
95.04965	25.1
95.08604	40.8
97.02882	3.0
97.06525	3.3
97.10163	7.6
99.08093	2.6
105.04527	1.8
105.07034	24.8
107.04958	7.4
107.08587	24.7
109.06524	4.1
109.10150	20.7
111.08069	8.1
115.05452	1.3
116.98201	1.3
117.07005	7.3
119.08578	23.8
121.06506	3.2
121.10139	20.6
123.04411	1.3
123.08052	3.6
123.11698	6.5
125.09631	4.6
129.07013	8.4
131.08568	18.0
133.06479	3.3
133.10135	12.8
135.08051	2.2
135.11684	11.9
137.09595	2.9
137.13260	1.8
142.07751	3.4
143.08563	3.2
145.10110	10.0
147.08066	4.3
147.11668	15.3
149.09610	4.5
149.13248	6.8
157.10106	11.6
159.11694	5.9
161.13200	5.4
163.11223	2.5
163.14835	2.6
165.12756	2.0
169.10147	1.8
171.11656	1.8
173.13278	6.6
175.11192	7.7
175.14828	2.8
177.16374	1.2
180.39023	1.1
185.13275	1.8
187.14832	2.3
189.11227	2.8
193.12221	23.4
199.14795	1.3
205.12251	1.5
205.15813	1.2
211.13274	2.4
227.12752	7.7
235.13263	1.8
243.21114	5.1
249.14888	1.9
261.22131	22.3
267.15897	92.9
268.16275	2.8
279.23160	3.1
291.23245	1.3
291.51083	1.0
301.14362	2.2
301.25220	5.5
309.16998	3.7
317.24747	3.8
319.15613	1.4
333.24069	2.0
335.25787	100.0
336.26089	3.8
417.26086	1.3
421.25922	1.5
435.27353	2.7
435.32602	5.8
453.33582	8.2
461.28979	1.2
471.34836	5.0
475.30270	1.2
509.36063	2.4
527.37299	69.3
528.37579	4.9
545.38330	56.5
546.38782	4.1
559.39819	1.8
569.38080	4.5
623.39716	2.0
635.38666	2.9
653.40588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05262	1.7
55.05510	21.8
57.03179	1.5
57.03437	19.0
57.07068	2.6
61.02917	1.2
62.73823	1.0
65.03918	1.8
67.05502	58.8
68.60074	1.0
69.03419	4.6
69.07066	14.5
69.42671	2.4
69.43063	2.0
71.04984	4.8
73.50692	1.0
76.67651	1.0
77.03934	1.6
79.05131	1.2
79.05491	39.3
81.03415	95.4
81.07053	60.4
83.04972	6.2
83.08614	24.4
85.02914	1.2
85.06530	4.1
91.04945	1.8
91.05482	33.0
91.06064	1.6
93.06451	2.2
93.07043	46.0
94.07349	1.1
95.04967	30.1
95.08601	42.8
97.02889	2.7
97.06519	4.6
97.10175	8.7
97.87923	1.3
99.08112	1.1
105.04518	2.9
105.07020	30.2
107.04946	6.8
107.08592	27.1
109.06522	4.7
109.10164	19.6
109.93282	1.0
110.04978	1.1
111.04470	1.2
111.08070	9.9
115.05491	1.5
117.07025	5.4
119.04897	1.2
119.08578	23.7
121.06505	3.3
121.10139	24.5
123.04408	2.2
123.08073	3.8
123.11709	5.2
125.09622	4.8
129.06999	12.2
131.08566	19.6
133.06476	3.9
133.10129	16.0
135.08055	2.4
135.11682	14.6
137.09628	1.5
142.07742	3.2
143.08594	3.7
145.10097	10.3
147.04337	1.3
147.08066	1.6
147.11674	12.4
149.09657	5.9
149.13243	7.4
155.08540	2.0
157.10110	12.4
159.08022	1.1
159.11699	7.7
161.06042	1.1
161.13300	5.7
163.11206	2.8
163.14845	4.2
165.12773	2.2
171.11674	1.5
173.13275	5.9
175.11159	9.0
175.14824	3.0
177.16405	1.5
185.13246	1.9
187.14790	2.3
189.11211	4.8
193.12247	22.2
194.07794	1.2
197.13330	1.2
211.13245	1.9
227.12762	8.5
231.13780	1.2
235.13272	1.7
243.21155	5.4
247.16965	1.4
249.14793	2.8
259.20450	1.4
261.22116	15.2
267.15897	100.0
268.16312	2.0
279.23035	1.4
301.25259	4.9
309.16980	1.8
317.24612	3.2
335.25800	80.3
336.26001	2.6
349.73172	1.1
421.26343	1.6
432.32281	1.2
435.32361	4.2
449.28726	1.3
453.33759	7.4
471.34616	4.4
509.36163	2.7
527.37335	60.9
528.37341	2.9
545.38367	56.2
546.38995	5.0
559.39471	2.7
569.38239	3.6
577.41309	1.6
635.38928	1.2
635.61426	1.2
653.39966	1.5
657.75177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05508	3.0
56.33661	0.4
57.03440	2.6
61.02928	4.0
62.90151	0.4
64.29570	0.4
65.23976	0.4
67.05501	11.2
68.05849	0.8
68.52694	0.4
69.03426	3.3
69.07064	3.4
69.65524	0.8
69.65907	0.8
71.05006	1.8
72.35201	0.4
73.02917	3.9
79.05493	8.4
80.05859	0.7
81.03399	3.9
81.07051	11.4
82.07416	1.2
83.04963	2.8
83.08601	2.0
85.02901	4.2
85.06542	0.9
91.03965	2.6
91.05478	9.5
92.05870	0.6
93.07042	8.9
93.07600	0.7
94.07376	0.6
95.04977	3.2
95.08605	4.8
96.08971	0.7
97.02888	4.5
97.06557	1.7
97.10186	0.9
99.04478	1.0
101.02396	1.5
101.24696	0.5
103.03933	0.5
105.07040	6.0
106.07400	0.6
107.04993	1.3
107.08584	4.9
107.09129	0.4
108.08952	0.6
109.02857	0.7
109.06541	1.5
109.10155	3.1
110.10522	0.7
111.04488	0.5
111.08138	0.6
115.05573	0.5
117.06995	2.2
119.08578	4.1
120.08917	0.4
121.06553	0.5
121.10188	1.9
123.08119	1.4
123.11756	1.2
125.09660	0.7
127.03928	1.0
129.07056	1.5
131.08627	1.7
132.08954	0.5
133.06522	0.6
133.10112	4.9
134.10503	0.8
135.08051	0.6
135.11678	2.3
136.12051	0.6
142.07840	0.5
143.08585	0.8
145.10178	1.8
147.08084	0.8
147.11655	2.5
149.09642	0.9
149.13260	1.0
151.11247	1.2
152.11594	0.6
157.10103	0.7
159.11768	1.5
161.09657	0.6
161.13348	1.0
163.11234	0.7
164.92218	0.4
169.12337	0.5
171.11682	0.8
184.07304	0.5
189.12825	0.6
193.12286	0.4
199.72578	0.4
207.13872	0.5
233.74542	0.4
243.08383	2.5
245.19035	0.4
247.13277	1.6
253.14384	2.5
254.14726	1.0
267.16089	1.2
269.17529	1.0
270.18085	0.7
271.15234	0.5
274.18875	0.5
275.20248	0.8
276.20340	0.5
285.17111	1.2
287.18643	1.1
288.18787	1.1
291.19739	1.0
293.21182	0.9
303.15735	0.7
333.20520	1.6
366.23795	0.9
382.83047	0.5
439.19675	0.7
453.21289	0.6
458.92520	0.4
465.20953	9.1
465.27179	0.6
466.28821	0.9
469.20300	0.7
479.30420	0.5
480.30554	1.4
481.11945	0.5
534.35162	2.4
542.35620	0.7
551.28345	4.9
560.36597	2.2
577.37738	0.6
578.37927	2.5
618.46167	0.5
630.21545	0.6
670.93445	0.5
747.22815	0.5
775.42316	100.0
776.42633	9.5
793.81696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43567	0.7
55.05507	1.3
57.03440	1.6
60.46859	0.6
60.56638	0.6
61.02925	3.1
64.22719	0.7
67.05514	4.7
69.03433	1.5
69.07069	1.6
69.57809	2.0
69.58175	1.1
73.02936	2.8
79.05496	5.0
81.03429	2.4
81.07063	3.8
83.04986	0.9
83.08604	0.9
85.02901	3.5
91.03980	2.1
91.05489	3.6
93.07064	4.7
95.04998	1.7
95.08639	2.6
97.02902	3.2
97.06526	0.8
99.04461	0.9
101.02386	1.5
105.07061	2.6
107.08639	1.5
109.10188	0.9
117.07036	1.2
119.08624	2.2
121.10155	0.9
129.07089	0.9
131.08601	1.1
133.10144	1.1
135.11725	0.8
145.35507	0.6
147.11743	1.4
161.13248	0.7
171.11769	1.1
205.08928	0.8
243.08496	2.1
320.10944	0.8
333.20511	1.4
465.21060	9.9
534.43213	0.8
544.81354	0.7
551.28516	5.1
775.42365	100.0
776.42682	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	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05502	1.4
56.70845	0.3
57.03434	2.9
57.07084	0.5
61.02926	3.6
65.03931	0.6
67.05504	7.0
67.27503	0.4
68.05847	0.7
69.03429	2.1
69.07055	2.5
71.01345	0.7
71.05003	0.8
73.02910	2.8
79.05498	6.4
81.03413	2.3
81.07058	7.9
82.07385	0.5
83.04992	1.6
83.08622	1.3
85.02899	3.1
85.06567	0.5
87.04466	0.6
91.03957	1.8
91.05482	5.5
93.07040	5.5
94.07371	0.5
95.04958	2.4
95.08604	3.7
97.02884	3.4
97.06533	1.1
98.23450	1.6
101.02374	1.3
105.07030	3.5
107.04927	0.7
107.08602	2.8
109.02901	0.6
109.06554	0.8
109.10175	1.6
111.08066	0.4
115.05454	0.3
117.07053	1.0
119.08578	1.9
121.06516	0.4
121.10173	1.1
123.08077	0.8
125.09641	0.4
127.03935	1.4
129.07018	1.2
131.08595	1.2
133.10143	2.4
134.10439	0.4
135.11731	1.1
137.09587	0.5
143.08525	0.7
145.10161	0.8
145.44797	0.3
147.11626	2.0
149.13277	0.9
150.13574	0.6
159.11739	0.7
161.09624	0.6
161.13283	0.7
171.11734	0.9
185.04332	0.7
187.32851	0.4
189.12738	0.5
190.53497	0.4
195.13898	0.5
243.08307	2.4
247.13147	1.1
255.16052	0.4
261.69910	0.4
269.17523	1.2
270.17926	0.4
275.20282	0.5
303.15802	0.8
333.20480	1.2
439.19388	0.8
453.21066	1.0
465.21002	7.5
469.20413	0.6
541.85468	0.4
544.37128	0.6
551.28345	4.9
677.35632	0.9
775.42352	100.0
776.42676	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	776.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
56.43003	0.4
57.03431	0.6
61.02917	0.5
65.03938	0.7
68.99779	0.9
69.03427	1.5
70.69877	0.9
71.04955	0.5
76.42101	0.5
77.03911	0.6
79.05488	1.2
81.03442	0.8
83.04965	0.6
85.02901	7.1
91.05481	0.9
93.03413	1.0
93.07027	0.8
95.04990	1.0
97.02898	2.4
103.05466	0.9
107.04959	4.9
109.02880	0.7
109.06506	0.5
111.00852	0.8
111.04414	0.6
117.03339	0.5
121.06515	2.3
123.04409	0.9
127.03911	5.1
131.04926	7.3
135.04419	1.4
139.03893	11.8
140.04236	0.6
141.01813	0.7
145.04977	3.2
147.04395	1.8
149.02356	0.6
149.05963	4.4
151.03915	3.6
152.86961	0.5
153.01898	0.5
155.03395	1.8
157.04971	0.9
159.04414	15.7
163.03903	14.5
163.05937	1.1
165.05524	0.5
167.03407	7.0
167.07048	1.8
167.14072	0.4
175.03906	1.5
177.05461	26.9
179.03387	15.5
179.06915	0.5
181.04948	6.9
185.04396	1.5
187.03931	0.5
191.03270	0.5
193.04973	8.3
195.02875	0.8
195.06519	21.9
201.05476	0.6
203.03410	1.3
203.57532	0.5
205.04945	11.1
209.08174	0.5
211.05995	6.5
213.05537	0.7
217.04858	0.9
223.06001	100.0
224.06403	2.4
237.07468	1.0
241.07060	4.8
245.04427	1.2
255.08620	41.6
256.08929	0.9
257.04440	0.9
263.05600	1.1
273.09683	39.4
274.10022	1.2
275.05530	1.3
287.05438	5.3
299.05368	1.5
305.06631	0.7
325.11163	0.6
425.08710	1.4
443.09979	0.7
517.59875	0.5
706.30719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34774	0.4
55.01873	1.2
57.03425	0.9
61.02918	0.8
61.98539	0.4
65.03944	0.4
67.05475	0.5
68.99789	0.8
69.03416	1.3
71.43903	0.3
79.05480	1.5
81.03432	1.1
83.04961	0.4
85.02904	7.6
87.00821	0.5
91.03940	0.6
93.03399	1.4
93.07030	0.6
95.04973	0.6
97.02883	2.2
99.04456	0.5
101.06023	0.5
103.05452	0.9
107.04955	4.9
109.02858	1.3
111.48465	0.4
118.81399	0.4
119.04922	0.6
121.06525	1.3
123.04408	1.8
127.03917	9.1
131.04933	6.2
133.02820	0.6
133.06458	0.6
135.04442	1.8
137.06003	0.7
139.03900	14.4
140.98602	0.4
141.01901	0.4
144.73119	0.4
145.04970	3.5
147.04414	1.6
149.02438	0.6
149.05972	4.2
151.03896	4.5
153.01813	0.5
153.05429	0.6
155.03406	2.6
155.04471	0.4
159.04416	17.0
159.05724	0.8
161.06041	0.7
163.03908	15.7
163.06050	1.6
165.05440	0.6
167.03377	2.7
167.07060	1.8
169.04897	0.6
175.03929	1.4
177.05469	26.3
178.05794	1.2
179.03394	19.6
180.03651	0.6
181.04945	8.0
185.04457	2.2
185.05875	0.4
187.03873	0.5
191.07062	0.5
193.04953	8.6
194.05243	0.4
195.02838	1.2
195.06528	23.5
196.06906	0.8
201.05573	0.5
203.03403	1.5
205.04977	11.1
206.05325	0.5
209.08008	0.9
211.06032	5.1
213.05396	0.5
223.06009	100.0
224.06357	2.7
229.05045	0.6
237.07518	1.6
241.07066	4.7
245.04388	1.1
255.08633	41.0
256.09012	1.5
257.04449	1.1
263.05475	2.8
273.09683	47.4
274.09930	0.9
275.05365	1.1
287.05435	4.2
289.07001	0.9
299.05606	2.4
305.06552	1.5
317.06494	1.8
325.11243	0.8
407.07608	0.8
425.08820	2.5
443.09772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06344	1.1
55.01871	6.4
55.05514	19.3
57.03216	1.1
57.03447	11.9
57.07063	2.2
57.46897	1.2
59.04992	1.8
60.08149	2.7
61.02921	4.7
61.17435	1.0
65.03930	3.4
67.05507	100.0
69.03436	7.0
69.07067	29.9
70.51192	1.3
70.51539	1.6
71.04993	31.5
71.07369	2.0
71.08615	2.3
73.02896	2.3
77.03909	2.1
79.05500	46.7
81.03420	16.0
81.07061	63.3
82.07403	1.7
83.04993	10.4
83.08624	14.7
85.02896	6.3
85.06540	4.9
86.09712	15.6
91.03965	1.9
91.05481	39.9
91.29208	1.0
92.05767	1.5
93.07047	53.2
95.04968	12.6
95.08604	32.0
97.02916	6.1
97.06539	13.8
97.10170	6.2
98.97558	1.3
99.04469	1.6
99.08085	4.6
104.10738	2.2
105.04537	2.6
105.07034	28.7
107.04314	1.3
107.04945	6.5
107.08600	33.7
108.08938	1.3
109.02888	2.5
109.06502	6.6
109.10159	53.2
111.04446	2.2
111.08071	5.4
111.11691	1.4
113.09650	2.2
114.14975	1.3
115.05486	1.4
117.07023	14.1
119.08591	32.8
121.06531	3.5
121.10145	19.5
123.08061	5.6
123.11720	3.6
125.00000	10.0
125.09629	5.6
129.05505	1.1
129.07016	6.3
131.08566	14.2
133.10135	20.1
134.10460	1.3
135.08060	4.5
135.11700	23.7
137.09607	13.2
141.06915	1.7
143.08553	4.0
145.04868	1.4
145.10114	14.0
147.11676	9.8
149.09648	8.3
149.13252	7.5
151.11160	4.3
155.08588	1.5
155.10655	2.6
157.10124	5.3
159.11705	12.9
161.13266	4.3
163.11176	8.4
169.10077	2.0
169.12250	1.9
171.11674	4.8
173.04436	1.5
173.11731	7.8
173.13254	4.6
175.11217	2.5
175.14809	1.3
177.12708	3.5
179.14281	7.2
181.12218	3.0
183.11720	2.4
184.07346	41.1
185.13254	1.6
185.70284	1.3
187.13313	2.2
187.14825	1.8
193.12173	2.7
195.13835	3.2
197.13197	2.3
211.13232	5.7
227.12823	7.6
229.14273	4.1
239.18010	1.4
243.15904	4.2
247.20596	1.6
253.14191	2.3
255.15903	9.5
257.19049	4.1
267.15872	9.4
269.17477	13.9
275.20093	15.2
277.21545	3.2
285.16959	3.5
287.18552	22.5
291.19373	1.5
293.20975	2.8
313.21707	1.5
331.22699	3.0
349.23761	16.1
351.25308	4.8
367.24649	3.8
389.27127	1.1
409.25873	5.9
413.25430	1.5
423.27438	24.9
431.28003	1.6
435.27390	16.8
437.29147	6.0
449.28934	16.6
461.29092	1.2
463.30261	5.1
467.30023	5.7
469.20285	1.8
471.00507	1.1
475.33777	1.3
479.29819	4.5
481.31662	37.0
482.31473	1.3
485.32489	3.2
503.26489	2.1
503.33691	33.1
504.33621	1.8
517.35022	4.9
521.35046	2.1
529.35327	14.8
530.35529	1.4
535.35571	3.3
543.36755	17.8
544.37671	1.6
547.36066	3.2
561.37927	28.7
562.38062	2.5
567.31793	4.1
579.39264	6.1
593.32874	3.3
625.35571	1.8
714.79614	1.5
726.42841	7.4
776.38440	6.5
777.40210	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	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
55.05511	8.2
56.96563	1.5
57.03438	6.7
58.03679	0.6
58.90372	0.5
59.05008	1.1
59.57010	0.5
61.02929	5.5
65.03946	1.5
67.05503	39.5
68.05824	0.7
69.03425	4.9
69.07065	9.7
69.19224	1.7
69.19619	1.5
71.01376	0.8
71.04991	12.0
71.08632	1.2
73.02911	4.4
77.03902	0.7
79.05491	21.0
81.03411	9.0
81.07056	26.8
82.07381	0.6
83.04985	4.9
83.08614	8.2
85.02906	6.3
85.06544	2.1
86.09711	2.4
87.04501	0.7
91.03945	3.1
91.05479	18.1
93.07045	22.3
94.07378	0.8
95.04970	7.0
95.08603	13.5
95.09198	0.7
97.02898	6.0
97.06521	4.6
97.10171	1.9
98.97573	4.4
99.04503	0.9
99.08118	1.7
101.02383	1.5
105.04536	1.0
105.07028	10.5
107.04931	3.7
107.08591	12.7
109.02893	1.6
109.06536	3.0
109.10159	23.1
109.10892	1.2
110.10512	0.7
110.97574	1.5
111.04449	1.3
111.08083	3.1
112.99171	1.3
113.05997	1.0
115.05454	0.7
116.98640	1.4
117.07030	4.9
119.08582	12.6
119.09430	1.0
120.08976	1.0
121.06534	1.8
121.10149	6.5
123.08076	1.7
123.11734	1.8
125.00014	1.9
125.09645	2.0
127.03941	1.9
128.98689	0.8
129.05545	0.6
129.07005	2.8
131.00198	1.9
131.08565	6.8
133.06502	1.7
133.10123	9.4
134.10428	0.7
135.08046	2.8
135.11690	9.3
135.12650	0.9
137.09589	4.3
143.00185	0.9
143.08563	1.6
145.05002	0.6
145.10123	6.4
146.10443	0.6
147.08124	1.3
147.11658	5.1
149.01221	1.7
149.09625	3.2
149.13248	5.0
151.11203	2.0
155.08582	0.6
155.10670	1.0
157.10153	2.8
158.99701	1.6
159.11726	4.3
161.01201	0.9
161.09624	0.7
161.13219	1.4
163.11176	4.2
165.12770	1.4
169.10205	0.9
169.12251	1.1
170.99699	1.8
171.11725	1.7
173.04517	0.9
173.11774	2.6
173.13263	1.6
175.11247	2.6
177.00781	2.0
177.12796	2.0
179.14331	2.4
181.12245	1.3
183.11644	0.8
184.07352	9.0
185.13243	1.0
187.14851	0.9
189.00749	2.1
189.11243	0.8
193.12212	3.4
195.13800	2.0
199.02826	0.8
211.13345	2.0
219.01759	1.8
220.55470	0.7
223.13261	0.7
227.12762	1.1
229.14433	2.5
243.08395	3.0
243.16039	0.8
251.12657	1.8
253.14264	1.1
254.14754	0.8
255.15793	4.1
257.19070	1.3
261.02878	1.0
267.15897	6.0
269.17355	6.1
273.18347	0.7
275.04495	0.7
275.20020	5.5
277.21774	2.0
279.03876	1.3
285.17108	2.3
287.18530	8.7
291.19608	0.9
293.05566	1.7
293.21094	1.3
297.04791	0.7
301.09003	0.6
307.15259	0.8
311.06467	0.7
312.07101	0.7
317.17804	0.9
318.18365	1.1
321.04904	6.6
322.05505	2.4
324.75714	0.6
331.18890	2.2
331.22433	0.6
333.24557	0.6
349.23709	4.6
351.25424	2.2
363.11349	0.7
367.24924	1.8
371.75757	0.6
409.25717	2.9
409.41556	0.6
423.27417	11.8
435.27286	7.1
437.09720	1.8
437.29092	2.4
438.10095	1.3
449.28979	9.7
451.19418	0.6
455.10852	1.7
456.11273	1.2
463.30487	2.2
466.21677	0.8
467.30139	1.3
469.20328	5.7
479.30194	2.2
481.31580	15.8
482.31918	0.9
485.32449	1.1
503.33685	7.2
511.34399	0.9
517.35272	1.9
521.34912	0.9
529.35260	4.1
531.25897	0.7
533.26636	0.7
535.36316	0.8
543.36737	8.9
544.37372	0.9
547.36353	1.4
549.26611	3.9
561.37866	9.6
593.33215	1.0
625.35394	1.1
679.32697	1.2
708.82758	0.7
716.32446	5.4
726.43665	0.9
759.39423	4.5
776.41681	12.8
777.40204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05509	41.6
57.03436	17.9
57.07063	3.4
59.04993	3.3
60.78659	0.8
61.02923	4.0
65.03932	3.5
67.05502	100.0
68.05839	1.4
69.03427	4.1
69.06709	1.1
69.07069	16.1
69.38187	3.8
71.01348	1.4
71.04984	4.4
73.02908	1.5
75.07764	0.8
75.27427	0.7
77.03922	1.4
77.35764	0.8
79.05491	48.4
81.03406	5.4
81.07053	56.0
83.04990	5.8
83.08620	15.3
85.02903	16.5
85.06565	3.7
85.06981	0.8
85.55984	0.9
87.04459	5.8
89.70188	0.7
91.03945	1.6
91.05475	23.7
93.07043	44.3
95.04958	6.9
95.08603	39.7
95.09221	1.8
97.02890	4.4
97.06554	4.5
97.10162	21.2
103.03898	1.4
105.04514	2.3
105.06348	1.3
105.07029	16.7
107.04937	1.4
107.08588	25.6
108.08911	1.0
109.06501	2.4
109.10152	52.4
110.10492	1.2
111.08070	3.2
115.05424	1.3
117.07033	6.2
119.08582	13.2
121.06463	1.3
121.10135	18.4
122.10538	0.9
123.08072	2.3
123.11691	4.6
125.09631	17.7
129.06993	1.5
131.08560	11.1
133.10124	10.4
135.08046	1.0
135.11697	11.2
137.09608	3.4
137.13268	1.0
139.11200	2.2
143.08539	1.4
143.10670	3.9
145.10130	9.7
147.08115	0.9
147.11697	5.6
149.09593	1.3
149.13237	5.9
151.11125	0.8
153.12724	1.9
155.10689	3.9
157.10123	1.3
159.11699	5.8
161.13243	3.4
163.11177	4.5
163.14816	2.4
165.12846	1.1
171.11670	1.3
173.11731	11.8
173.13249	4.8
175.11093	1.2
175.14835	2.3
177.12720	1.2
177.16333	1.5
179.14252	1.1
181.12134	1.7
183.11691	0.8
185.13211	1.6
187.14828	1.9
189.11208	1.3
191.10666	1.3
193.12183	1.6
199.13309	11.1
199.14970	0.7
209.11693	3.2
211.13203	1.0
212.01485	0.7
217.14276	2.6
227.12730	6.8
229.14340	47.5
241.14424	1.0
243.21027	4.3
245.13800	2.5
253.19453	0.9
257.13831	1.4
259.20358	1.7
261.22125	13.9
267.15881	3.6
274.11148	0.8
277.21786	1.4
283.15408	1.9
285.17010	1.1
289.21683	1.8
297.22095	1.1
299.23639	0.9
301.16470	16.5
301.21936	0.8
315.23083	1.6
317.24808	2.5
321.95807	0.8
327.23160	1.1
333.24203	1.7
335.25787	73.2
336.26123	3.0
363.25089	1.5
436.43982	0.8
451.31985	0.9
459.34769	1.3
463.29550	1.0
469.33182	0.9
477.35745	10.0
489.35794	16.6
517.35120	1.1
543.37103	4.1
561.30072	0.9
561.37952	8.0
579.38629	2.2
596.74933	0.9
776.42151	7.8
777.42004	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.4
55.05510	51.5
57.03437	18.0
57.07069	1.8
59.04996	3.5
61.02920	2.9
65.03941	3.4
66.09288	0.8
67.05502	100.0
69.03433	3.0
69.07066	21.3
71.01350	2.4
71.04984	5.2
71.08620	0.9
73.02925	1.5
79.05491	52.2
80.10720	0.9
80.95682	0.8
81.03416	6.6
81.07054	68.9
83.04987	6.9
83.08616	21.2
85.02902	19.1
85.06546	3.7
87.04469	8.0
91.03947	1.2
91.05480	29.8
93.07041	44.7
95.04970	9.4
95.08603	45.0
97.02900	4.1
97.05901	0.9
97.06527	5.1
97.10162	28.4
99.08092	2.1
101.02353	0.9
103.03918	2.3
105.04514	2.5
105.07023	18.4
107.04950	2.4
107.08589	34.0
107.25592	0.9
109.02828	0.9
109.06537	4.4
109.10150	56.0
110.10494	1.4
111.04447	1.3
111.08072	3.8
111.11690	1.0
113.09614	1.2
115.05409	1.0
117.07021	7.2
117.07767	1.2
119.08574	18.5
121.06536	1.7
121.10138	23.5
121.10983	1.6
123.08092	2.4
123.11676	4.5
125.09625	27.4
129.05482	1.6
129.07025	2.9
131.08568	11.8
133.06537	1.0
133.10120	13.2
134.10469	1.0
135.08066	2.2
135.11693	14.1
137.09612	3.2
137.13263	1.3
139.11151	4.7
143.08557	2.5
143.10632	4.6
145.10106	10.9
147.08041	1.3
147.11679	8.4
149.09631	1.6
149.13226	6.3
151.11145	1.7
152.03984	0.8
153.12752	1.9
155.08566	1.1
155.10678	3.7
157.10144	2.5
159.11703	7.8
161.13248	5.4
163.11205	6.8
163.14819	2.5
167.10687	1.0
169.10197	0.9
171.11719	2.5
173.09560	1.6
173.10187	0.9
173.11746	12.0
173.13258	5.5
175.11192	2.4
175.14896	2.3
181.12271	1.6
184.07428	2.1
185.11794	1.9
185.13298	2.6
187.14828	2.7
189.11218	2.4
193.12230	3.2
199.13264	12.8
199.14839	1.7
201.16327	1.1
203.12697	2.3
209.11725	3.6
211.13295	2.4
217.14394	2.5
227.12766	11.6
229.14330	44.6
230.14613	1.8
241.14362	1.2
241.19543	1.0
243.21069	3.5
245.13873	3.5
259.15283	1.0
259.20563	2.3
261.22104	13.8
267.15900	6.7
271.20612	1.8
277.21622	1.6
281.78348	0.8
283.15225	1.4
289.21539	1.6
299.14804	5.3
299.23541	1.0
301.16449	20.5
303.23233	1.4
315.23291	2.1
317.24695	2.4
318.16290	1.7
319.17465	2.6
327.23111	1.6
333.24176	2.0
335.25778	64.1
336.26160	4.6
337.27283	5.5
345.24252	1.5
351.25201	2.1
363.25458	2.4
435.27136	1.1
451.32181	1.6
459.34497	2.7
469.32462	1.0
477.35690	12.1
487.34390	1.4
489.35852	11.5
525.35510	1.5
530.72876	1.1
543.36578	5.7
561.37909	14.4
562.38062	1.0
566.71625	1.2
579.38776	6.1
776.42023	10.3
777.41827	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	776.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
55.05511	47.0
56.52618	0.7
57.03439	17.3
57.07077	3.6
59.05009	3.9
61.02929	3.8
65.03947	3.8
67.05505	100.0
68.05840	1.1
69.03431	5.0
69.07071	19.5
69.41084	3.6
71.01357	1.2
71.05004	5.9
71.08611	0.7
73.02921	2.4
75.77737	0.7
79.05492	50.4
80.05844	1.1
81.03413	7.5
81.07057	70.3
83.04978	5.7
83.08618	18.3
85.02909	17.7
85.06539	4.2
86.09697	1.8
87.04459	6.6
91.03957	2.2
91.05480	29.1
93.07046	50.7
94.07351	0.8
95.04968	7.8
95.08606	48.0
97.02874	4.9
97.06537	6.5
97.10169	26.6
99.04469	1.0
99.08102	1.8
103.03967	1.6
103.05524	0.7
105.04530	2.7
105.07026	19.6
107.04984	3.0
107.08597	32.6
109.06545	3.6
109.10157	51.2
111.04501	0.9
111.08080	5.0
117.07026	8.0
119.06097	0.8
119.08585	18.8
121.06529	2.3
121.10139	25.7
123.08100	3.0
123.11730	5.4
125.09634	23.0
127.24957	0.9
128.06230	0.9
129.07033	3.4
130.07742	0.8
131.08575	12.6
133.10133	11.0
135.08105	1.2
135.11693	14.7
137.09630	3.4
137.13264	1.5
139.11201	2.6
143.08527	3.5
143.10701	3.1
145.10129	12.0
147.08060	1.1
147.11694	6.5
149.09663	2.1
149.13281	5.7
151.11154	1.4
153.12782	1.8
155.10703	2.6
157.10194	2.8
159.11719	5.9
161.13226	5.2
163.11182	6.8
163.14867	2.6
171.11703	2.2
173.09550	1.1
173.11780	12.7
173.13321	6.3
175.11240	0.9
175.14879	2.4
177.12784	1.6
179.14352	0.7
181.12262	2.7
183.11693	1.0
184.07397	3.3
185.11858	0.8
185.13283	1.8
187.14935	2.6
189.11285	1.7
191.10692	1.4
193.12340	2.7
195.11832	1.0
199.13257	11.7
199.14824	1.4
201.16463	1.4
203.12814	1.7
209.11679	4.0
211.13269	1.7
217.14389	2.2
227.12749	8.1
229.14342	36.9
241.14371	1.6
241.19568	1.0
243.21135	2.8
245.13937	2.2
257.14084	1.0
259.20721	2.6
261.16330	0.8
261.22098	15.1
261.24533	0.9
267.15872	6.5
277.21716	2.1
283.15479	3.2
285.16913	1.3
289.21640	1.4
295.52090	0.8
299.23822	1.1
301.16464	20.7
315.23380	2.0
317.24847	2.3
319.17413	1.3
327.23340	1.3
331.22769	0.9
333.24274	2.0
335.25800	72.1
336.26334	3.1
337.27460	0.8
345.24319	1.2
351.25348	1.0
363.25436	1.9
380.90991	0.8
433.30984	0.9
451.32159	0.9
459.34570	2.1
469.33231	1.0
477.35757	11.6
489.35748	14.9
525.35657	1.5
543.36725	6.2
547.39063	1.0
561.37994	11.3
562.38153	1.0
579.39124	6.9
653.50024	0.8
776.43201	5.5
777.42902	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.7
55.05510	26.6
57.03442	18.8
57.07067	5.4
61.02921	6.1
65.03931	5.3
65.26478	1.8
67.05505	100.0
69.03419	6.3
69.07068	28.3
71.05001	6.1
71.43130	2.3
71.43545	2.4
73.02914	4.5
77.03928	2.2
79.05495	71.1
81.03415	11.9
81.07060	94.4
83.04971	16.2
83.08624	13.2
84.38297	1.7
85.02908	8.0
85.06541	6.4
91.03925	3.2
91.04948	3.6
91.05482	53.5
93.07044	78.2
95.04984	19.1
95.08022	4.2
95.08604	55.2
97.02875	8.1
97.06539	10.9
97.10168	9.8
99.04437	2.4
99.08070	5.4
105.04536	3.7
105.07033	27.9
107.04960	5.4
107.08602	41.1
109.06530	5.7
109.10152	29.7
111.04425	11.3
111.08101	4.5
114.90118	2.6
117.07023	14.4
119.08569	29.3
120.08884	2.2
121.06493	4.9
121.10151	36.0
123.08083	5.1
123.11731	7.3
125.09628	7.0
129.07021	5.9
131.08575	25.9
133.10138	20.4
135.08093	4.4
135.11690	21.2
137.09590	5.9
139.11205	9.4
143.08546	6.3
145.10115	19.4
147.07996	3.0
147.11717	11.1
149.09631	8.2
149.13242	9.4
151.11200	5.9
153.12778	2.7
157.10088	3.5
159.11684	13.0
161.09633	2.6
161.13258	6.7
163.11151	12.4
163.14822	3.0
167.10696	2.8
169.10088	3.5
171.11783	4.8
173.09612	5.2
173.11867	4.3
173.13301	7.4
175.11127	2.8
175.14709	2.3
181.12244	5.7
183.11668	2.4
184.07317	2.8
185.11690	2.4
185.13252	3.9
187.14812	3.1
189.11194	3.7
191.10669	7.8
195.13884	2.3
203.12804	2.4
209.11720	32.8
209.13472	2.5
211.14862	1.9
215.67523	2.1
227.12759	13.0
229.14330	6.2
241.14311	5.1
243.21198	2.6
252.78487	2.3
255.15997	3.2
259.20541	4.3
261.22122	12.9
265.14203	2.0
269.17444	8.1
270.31891	2.5
277.21631	2.4
283.15451	21.4
297.21881	3.0
299.23672	2.5
301.16476	46.3
301.21625	4.0
303.23065	3.4
315.23193	3.6
317.24661	2.8
333.24231	3.0
335.25806	63.4
336.26193	2.9
351.25360	3.1
367.24817	3.0
433.30634	3.1
451.32376	3.6
461.29260	2.1
469.33023	5.7
487.34726	3.7
501.35596	6.2
502.36392	2.9
525.35638	8.0
543.36755	42.7
544.37061	3.6
561.37866	52.2
562.37964	4.3
579.38525	4.3
760.77991	2.3
776.41876	18.8
777.38416	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	776.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.9
55.05512	17.7
57.03440	14.1
57.07078	4.7
64.04327	0.6
65.03903	2.1
67.00394	0.7
67.05505	51.8
69.01593	0.6
69.03390	2.5
69.07069	23.9
71.04957	2.4
71.08596	1.6
74.63754	0.6
77.03918	0.7
79.05495	23.0
81.03416	73.3
81.07056	55.2
82.03722	1.2
82.07368	0.9
83.04990	4.7
83.08619	27.1
85.02869	1.6
85.06511	2.2
85.10189	1.4
85.26746	0.6
85.88236	0.7
91.05477	20.9
93.07042	21.1
95.04967	22.8
95.08607	43.3
97.02857	2.9
97.06529	4.3
97.09610	0.7
97.10171	10.3
99.08039	2.0
105.04485	0.7
105.06379	1.2
105.07030	18.0
106.07377	0.7
107.04961	5.4
107.07948	0.8
107.08595	13.8
109.02866	0.8
109.06526	3.7
109.09444	1.1
109.10158	19.3
111.04436	1.2
111.08070	7.9
111.11755	0.7
115.05415	1.0
117.06963	2.3
119.04935	1.2
119.07760	0.8
119.08581	16.0
121.06445	2.8
121.10153	13.2
123.04412	1.5
123.08040	1.9
123.11712	6.6
125.09605	2.9
125.13175	0.7
129.07007	8.9
131.08563	9.0
133.06447	2.5
133.10144	11.0
135.08012	1.1
135.10907	0.6
135.11703	6.1
137.09549	2.1
137.13229	2.8
142.07780	2.1
143.08562	1.0
145.10088	3.2
147.08014	3.0
147.11699	9.7
149.09616	4.9
149.13226	2.8
151.14836	0.8
153.12683	0.9
157.10136	7.9
159.11697	1.3
161.09650	0.7
161.13229	3.0
163.11115	1.6
163.14828	2.3
165.12718	2.3
165.16466	1.5
171.11629	1.0
173.13206	0.7
175.11174	8.1
175.14801	2.5
179.14339	0.6
185.13260	0.7
189.11128	0.9
189.16414	0.9
193.12222	19.7
197.13235	0.8
203.17973	0.9
205.12236	1.6
211.13229	2.1
227.12753	3.6
235.13213	1.4
245.22716	3.1
249.14825	2.8
259.13174	1.4
263.23746	6.1
267.15906	100.0
268.16235	2.7
273.15060	0.7
299.18869	0.9
301.14285	1.0
303.26776	1.5
309.16913	2.9
319.15591	0.7
333.16815	0.9
337.27362	92.8
338.27652	3.2
361.27542	1.0
417.26224	1.0
421.25607	1.4
435.27438	1.6
437.33951	2.3
455.35086	4.6
469.13272	0.6
473.36337	2.6
483.85172	0.7
529.38873	79.7
530.39038	4.2
543.41412	0.7
547.39905	51.3
548.40387	3.7
561.41278	2.5
571.40057	5.0
579.42834	0.7
613.41821	0.7
625.41138	1.8
637.40295	2.0
655.42133	1.1
673.42957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.12671	0.5
62.13915	0.5
65.03938	2.7
67.05505	0.9
68.99788	7.5
69.49632	1.5
81.03422	4.0
83.04987	1.0
93.03393	0.8
95.04976	0.8
99.04440	0.9
105.03393	1.3
107.04907	0.5
109.02874	8.0
111.00804	5.6
111.04439	1.7
115.05436	0.9
119.04963	0.5
121.02863	1.8
123.04430	14.4
127.03915	55.7
128.04218	0.4
131.04910	0.9
133.02850	3.7
133.06502	0.5
135.04431	1.1
137.02362	0.7
139.03899	100.0
140.04213	0.9
147.04401	5.0
149.02354	4.3
149.05962	0.5
150.03119	1.0
151.03905	53.5
152.01028	0.6
152.04366	0.9
153.01811	1.9
153.05487	0.7
155.03383	19.6
157.04947	1.4
157.06380	0.7
159.04379	0.9
161.02408	0.6
161.05984	1.3
163.03915	7.5
165.05455	2.6
167.03400	20.1
167.04607	0.9
167.41069	0.5
168.03978	0.5
169.06476	0.5
171.04428	1.8
173.05983	1.3
175.03899	9.3
176.04491	0.5
177.05449	3.3
179.03383	26.7
180.03595	0.5
181.04945	0.7
183.04391	0.9
185.06013	1.9
187.03891	0.6
189.05440	2.6
191.03363	6.3
193.04977	2.9
199.03949	3.2
201.05473	4.7
203.03387	12.4
205.04980	4.8
211.03876	0.7
213.05461	6.5
215.03368	0.9
217.04906	5.5
219.06554	1.8
223.02319	1.0
225.05504	0.4
227.03464	1.4
229.04956	5.3
231.06548	3.1
233.04495	3.0
235.06067	0.7
241.04971	4.5
243.06570	0.6
245.04443	13.0
247.05927	2.3
251.05577	0.8
253.04926	1.0
257.04440	10.5
258.05063	0.5
259.06000	4.8
263.05524	14.1
269.04388	4.8
271.06018	2.5
275.05487	11.6
276.21854	0.5
277.07062	10.2
281.04483	0.5
287.05496	43.2
288.05737	1.1
289.07074	5.7
299.05484	11.2
299.08771	0.9
301.07010	0.8
305.06540	26.5
306.06857	0.8
311.05688	0.8
313.07025	0.6
317.06534	12.7
323.05441	1.5
326.13132	0.5
331.08139	0.5
354.17242	0.5
361.07043	0.5
380.44232	0.4
389.06589	1.0
407.07544	5.7
425.08688	13.3
426.09158	0.6
437.08395	0.8
443.09814	5.2
449.08301	0.9
467.09723	1.0
473.10739	0.7
591.11237	0.6
593.12531	0.9
609.11975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.11682	0.4
65.03941	1.8
67.05505	0.9
68.99794	5.8
69.73319	1.6
70.12082	0.4
70.60434	0.4
77.03957	0.5
81.03411	2.7
95.05009	0.6
98.23411	0.7
99.04428	0.6
107.04996	0.5
109.02896	3.5
111.00808	7.3
111.04436	1.6
115.05411	0.6
119.04991	0.7
121.02882	1.8
123.03639	0.2
123.04420	8.7
127.03915	61.0
133.02838	2.0
135.04440	0.6
139.03900	100.0
140.04233	1.1
147.04407	4.3
149.02353	1.8
149.05940	0.6
151.03908	31.5
152.01070	1.5
153.01848	0.9
153.05428	0.7
155.03374	3.7
157.02789	0.5
157.04961	1.4
157.06467	1.0
159.04405	0.9
161.02345	0.8
161.05966	1.2
163.03905	6.8
165.05490	1.6
167.03397	24.7
167.04591	0.9
169.06508	0.6
171.04443	1.6
173.06038	0.6
175.03912	9.8
177.05505	3.1
179.03395	30.1
179.06964	0.9
181.04973	1.2
183.04401	0.9
185.06003	1.0
187.03906	1.1
189.05495	2.3
191.03369	6.0
193.04980	2.8
197.05930	1.0
199.03957	2.6
201.05429	3.7
203.01563	0.9
203.03394	13.0
205.04948	4.3
213.05476	4.1
215.03349	1.1
217.04996	4.3
219.06494	1.0
223.02406	0.8
225.05400	0.9
227.03407	0.6
229.04924	3.0
231.06506	2.5
233.04417	2.6
241.04893	1.6
243.06474	0.6
245.04466	9.7
247.05905	0.7
253.04919	1.2
257.04449	7.5
259.06006	2.3
263.05511	18.8
269.04446	4.3
271.06100	3.4
275.05481	8.3
276.06046	0.5
277.07013	1.2
281.04266	0.9
287.05502	29.7
288.05780	0.5
289.07056	7.7
295.05933	0.9
297.07498	0.8
299.05518	19.6
300.05862	0.5
301.06985	0.6
305.06592	8.5
306.29639	0.6
311.05396	0.9
317.06528	17.4
318.06827	0.6
323.05426	1.3
341.06281	0.4
361.06909	0.6
365.06558	0.7
379.08084	0.6
389.06531	0.5
407.07602	6.3
425.08661	23.0
426.09119	0.7
437.08643	1.1
443.09708	4.0
449.08676	0.7
455.09659	0.6
467.09506	1.4
473.10495	0.7
575.11450	0.5
609.11786	2.0
742.22382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75528	0.3
56.96570	0.6
59.76151	0.3
61.02937	0.4
73.02928	0.4
74.41850	0.4
81.03423	0.6
81.07042	0.5
81.92426	0.3
85.02927	0.4
93.07091	0.5
95.08624	0.5
98.22689	0.7
99.29917	0.3
105.07066	0.4
112.99188	0.5
131.00194	0.8
155.26138	0.3
249.08150	1.1
267.09027	5.4
285.10086	3.8
293.05566	0.9
294.82700	0.3
309.10159	0.5
309.45789	0.4
342.89920	0.4
388.86917	0.4
398.88348	0.4
436.72031	0.4
439.19647	0.8
467.16025	0.5
485.17126	3.3
501.23297	0.5
517.20135	0.7
677.28650	1.6
699.35254	3.0
714.40448	0.4
717.36829	0.6
759.38818	0.7
777.36707	100.0
778.36871	6.7
779.52362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
57.03431	1.0
59.04998	0.7
61.02928	3.1
63.13068	0.3
67.05505	5.0
69.03427	1.8
69.07057	0.5
71.04990	1.1
73.02920	2.2
79.05495	1.3
81.03419	2.3
81.07061	1.5
83.04986	0.4
83.08614	0.9
85.02911	2.9
87.04466	0.4
91.03951	1.7
91.05491	1.2
93.07054	1.5
95.04981	0.8
95.08604	0.5
97.02883	2.7
97.06573	0.4
98.92107	0.3
99.04449	0.3
101.02379	0.9
103.03933	0.3
105.07037	0.9
107.08598	0.4
107.18195	0.3
109.02885	0.7
109.10165	3.6
110.60822	0.2
111.08076	0.4
119.08598	1.0
121.10171	1.0
127.03929	1.1
129.07069	0.4
131.08612	0.8
133.10126	0.6
140.19690	0.3
145.05029	0.3
147.11682	0.7
149.09668	1.2
155.10687	0.7
157.10136	0.7
163.11150	0.3
173.11716	1.4
175.11221	0.4
185.04274	0.4
193.12271	1.1
195.09975	0.8
225.14799	0.5
229.14395	1.1
235.13509	0.3
243.08412	1.7
267.16074	0.6
283.15140	3.5
339.17938	0.9
346.79083	0.3
413.17813	11.2
414.18317	0.4
441.21313	0.7
469.20874	0.3
493.27594	0.3
501.23029	12.3
511.28998	0.5
517.22827	0.5
518.85706	0.4
613.76514	0.3
673.34027	100.0
674.34357	4.9
759.37262	0.7
777.38593	8.6
778.38916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
58.18355	0.4
59.04961	1.0
61.02929	4.1
67.05505	5.0
69.03419	1.8
69.07054	0.5
70.70176	0.5
71.04939	1.1
73.02925	3.1
79.05463	1.4
81.03415	2.8
81.07076	1.7
83.04946	0.7
83.08616	0.8
85.02908	3.7
85.06493	0.7
85.17520	0.4
91.03952	2.5
91.05466	2.1
93.07014	1.2
95.04932	1.2
95.08586	0.9
97.02880	3.6
97.06522	0.5
99.04430	0.8
101.02382	1.8
103.03933	0.4
103.42846	0.3
105.06978	1.1
107.08556	1.1
109.02853	0.8
109.06506	0.5
109.10157	4.9
111.08052	1.0
119.08572	1.2
121.10144	1.7
127.03889	0.8
129.06978	0.6
131.08551	1.1
133.10092	0.7
137.09560	0.5
147.11685	0.8
149.09633	1.8
154.13368	0.4
155.10571	0.4
157.10150	0.6
173.11720	2.4
175.11176	0.5
185.04240	0.4
193.12209	1.3
195.09860	1.0
197.15318	0.5
225.14893	0.4
229.14354	1.7
233.11310	0.4
243.08403	2.4
267.15936	1.1
283.15082	4.0
284.15427	0.5
301.09076	0.4
339.17813	1.0
370.62997	0.4
402.03714	0.4
413.17831	13.9
414.18317	0.4
441.20660	0.4
481.46085	0.4
501.23044	15.9
502.23218	0.5
511.28751	1.0
517.22931	0.5
673.34033	100.0
674.34241	6.2
727.35632	0.5
759.38062	0.6
777.38678	21.6
778.38873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.03435	1.9
61.02927	4.5
67.05497	3.8
69.03417	3.4
69.07059	1.4
71.04980	1.6
73.02907	2.5
79.05497	3.4
81.03410	3.6
81.07069	4.1
83.04964	1.5
83.08618	1.2
85.02894	4.3
85.06551	1.3
87.04489	0.7
91.03948	2.6
91.05486	3.7
93.07031	2.8
95.04971	1.1
95.08599	1.5
97.02880	3.9
98.06052	1.1
99.04479	0.7
101.02374	1.9
105.07032	2.3
107.04936	0.8
107.08582	2.1
109.10152	1.7
118.07351	0.7
119.08585	2.8
121.10130	4.0
127.03884	1.8
131.08521	2.1
133.10135	1.2
135.11710	1.3
137.09692	0.7
139.11154	0.9
145.10135	1.2
147.11705	2.0
147.72070	0.7
149.09616	2.1
157.46736	0.7
163.11157	0.8
168.87354	0.6
175.11163	0.8
185.04218	0.8
193.12312	1.0
209.11763	0.8
225.14923	0.7
236.16666	0.7
243.08391	2.6
267.12030	1.9
267.15799	1.3
283.15042	3.5
292.49347	0.7
299.14551	1.3
339.17776	1.2
342.27875	0.8
446.17966	0.8
457.20346	1.0
485.19904	7.4
499.21585	0.9
501.23071	15.5
506.74326	0.8
517.22540	3.1
565.37549	0.8
601.27924	0.9
673.27417	0.9
687.33478	1.2
717.35950	0.8
745.36090	7.6
746.35864	0.8
777.38947	100.0
778.38989	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	777.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05507	2.7
56.96311	0.9
56.96564	6.0
57.03431	2.4
61.02928	5.1
65.03951	0.6
67.05505	6.6
68.05830	0.6
69.03437	3.4
69.07077	2.2
69.77532	1.1
69.77867	0.9
70.34181	0.5
71.01339	0.5
71.05002	1.4
73.02915	3.8
78.59042	0.5
79.05499	4.4
81.03412	4.9
81.07059	6.3
83.04976	1.6
83.08625	1.8
84.96046	0.6
85.02901	5.8
86.09727	1.1
91.03962	2.8
91.05476	5.9
93.07043	4.2
95.04972	4.1
95.08619	3.6
97.02886	3.8
97.06562	1.5
97.10188	0.6
98.97585	16.1
99.04462	0.6
101.02409	1.4
103.03953	0.5
105.07021	4.1
107.04987	1.4
107.08575	3.1
109.02913	0.7
109.06525	1.4
109.10179	2.3
110.97563	3.9
111.08098	0.6
112.99135	4.3
116.98627	5.0
117.07016	0.9
119.08588	2.2
120.19885	0.4
121.06503	0.6
121.10170	1.3
123.08102	0.6
124.99193	0.6
127.03947	1.6
128.98619	4.5
129.05548	0.5
129.06995	0.8
131.00168	6.0
131.08612	1.6
133.10153	4.0
134.10504	0.5
134.99680	1.0
135.08112	0.8
135.11734	1.0
140.00224	0.7
140.98636	1.1
143.00186	2.4
143.08566	0.6
145.10162	0.9
146.99664	1.2
147.11717	2.2
149.01213	6.6
149.09663	0.7
152.98601	0.5
157.01788	0.6
157.10172	1.7
157.59904	0.5
158.99634	8.3
159.00763	0.7
159.11674	0.6
161.01265	2.0
167.02322	1.0
170.99643	9.1
172.02866	1.0
173.01256	2.0
175.11275	1.1
177.00700	6.4
184.07314	3.8
185.01231	1.3
185.04332	0.8
189.00700	7.6
191.02295	2.1
193.12260	3.1
199.02805	1.6
200.02373	0.7
201.00818	2.1
203.02350	2.0
207.93802	0.5
209.01257	0.5
211.13356	1.0
212.02338	1.2
213.00703	1.3
215.02380	1.3
217.03955	1.8
219.01746	4.9
227.02347	0.8
231.01740	0.9
233.03380	1.0
237.02898	2.0
242.03514	0.5
243.08368	3.6
249.10995	0.5
251.12547	3.5
253.14427	0.5
261.02859	4.7
267.15997	0.8
275.04459	1.9
279.03857	5.6
285.17227	0.7
291.03979	0.8
293.05405	9.0
297.05048	1.8
301.08899	0.9
302.05566	1.6
309.04974	1.4
311.06454	2.8
315.10590	1.0
315.19547	0.5
316.06992	0.9
319.19354	2.6
321.04929	21.5
331.18848	1.5
337.20581	3.4
339.06030	1.1
355.13962	0.6
360.22311	0.6
362.07666	1.1
381.07144	1.7
395.34802	0.6
399.08575	0.6
437.09677	6.1
451.19470	0.9
455.10767	9.8
465.21143	0.6
467.20059	0.7
469.20416	6.2
477.08957	0.7
531.25800	2.3
533.27124	1.2
541.27856	0.7
549.26459	1.7
551.28271	0.5
553.29089	0.6
555.28369	2.2
561.37592	0.6
679.32629	1.4
701.37628	0.7
717.33624	14.9
718.33917	1.3
731.38092	0.7
759.39325	6.2
777.40356	100.0
778.40692	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	777.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05505	2.1
57.03445	1.9
61.02926	3.5
65.03949	0.6
66.37643	0.3
67.05503	7.0
68.05827	0.7
68.22311	0.3
69.03426	2.9
69.07069	2.3
69.67786	0.6
69.68176	0.6
70.07392	0.3
71.04996	1.7
71.08622	0.3
73.02908	2.6
73.61927	0.3
79.05499	4.6
81.03419	3.7
81.07049	5.5
82.07406	0.6
83.04975	1.5
83.08636	1.8
85.02902	4.2
87.04417	0.3
91.03976	1.9
91.05479	4.5
91.63209	0.3
93.07044	4.3
94.07389	0.3
95.04967	1.7
95.08589	3.2
97.02890	4.1
97.06544	1.2
97.10177	0.9
98.22714	0.4
98.97608	0.6
99.04483	0.9
101.02398	1.3
101.67464	0.3
105.04525	0.4
105.07027	3.1
107.04967	1.1
107.08603	2.5
109.02896	1.0
109.06548	1.0
109.10153	3.2
110.10513	0.4
111.04414	0.3
111.08121	0.8
115.03940	0.4
115.05421	0.4
117.07037	1.1
119.08563	2.1
120.08929	0.3
121.06500	0.5
121.10154	1.1
123.08083	0.4
123.11699	0.5
127.03956	1.3
129.07037	0.7
131.08565	1.6
133.06473	0.4
133.10112	2.3
134.10469	0.4
135.08052	0.5
135.11725	0.9
137.09662	0.9
145.10127	1.0
147.11714	0.9
149.09651	0.9
149.13263	0.4
151.11201	0.7
157.10170	1.1
159.11708	0.6
161.09630	0.7
163.11206	0.6
165.12831	0.4
174.65689	0.3
175.11241	0.7
184.07446	1.0
185.04204	0.5
189.00716	0.3
193.12218	1.7
195.13890	0.3
203.05309	0.4
211.13310	0.8
213.84341	0.3
236.20367	0.3
241.06827	0.3
243.08493	2.5
251.12556	1.7
267.16125	0.4
269.17450	0.4
275.20084	0.5
287.18567	0.4
313.17700	0.7
321.05148	0.5
331.19003	1.5
423.27618	0.7
424.27875	0.6
436.28003	0.5
450.29431	0.6
451.19363	0.9
469.20526	5.8
470.28030	0.4
481.31671	0.7
482.32004	1.8
504.34052	0.5
531.25995	1.6
533.27350	0.7
541.23010	0.8
544.37134	1.1
549.26709	3.2
562.38531	0.7
679.32440	1.4
759.39270	5.1
760.39502	0.6
777.40216	100.0
778.40662	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	777.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
55.05506	2.4
57.03444	1.8
57.07081	0.4
59.05003	0.4
61.02929	3.4
65.03945	0.4
67.05502	6.6
69.03432	2.2
69.07066	1.9
69.30946	1.6
71.01366	0.4
71.04984	0.9
71.08624	0.6
73.02915	4.0
79.05486	5.0
81.03407	2.4
81.07054	6.2
82.07376	0.5
83.04967	1.5
83.08612	1.8
85.02901	3.5
85.06522	0.4
86.09654	0.3
87.04469	0.5
91.03944	2.4
91.05466	5.0
92.05797	0.4
93.07041	5.2
95.04979	1.9
95.08601	3.7
95.31258	0.3
97.02883	3.8
97.06532	0.9
97.10169	0.6
99.04448	0.7
99.08079	0.7
101.02380	1.4
105.04527	0.4
105.07011	3.3
107.04947	0.7
107.08575	2.5
109.02880	1.0
109.06512	0.7
109.10163	1.8
110.10445	0.4
111.08117	0.5
117.07029	0.8
119.08578	2.5
119.40029	0.3
121.06491	0.5
121.10150	1.2
122.10479	0.3
123.08073	0.4
123.11662	0.4
127.03914	1.1
129.07025	0.8
131.08557	0.9
133.10141	1.9
133.11005	0.3
135.11702	1.4
139.11185	0.4
143.08592	0.6
145.04865	0.4
145.10075	0.7
147.11693	1.5
149.13280	0.6
151.11226	0.6
161.13266	1.0
163.11203	0.7
171.11691	0.9
174.79922	0.3
184.07362	0.4
185.04250	0.8
193.12283	0.4
195.93405	0.3
203.05232	0.4
227.12740	0.4
243.08397	3.0
247.13043	1.1
293.21152	1.1
294.21603	0.6
296.15616	0.3
299.56982	0.3
301.16672	0.4
315.19330	0.5
315.57867	0.3
335.21976	2.1
335.25363	0.5
391.24548	0.4
439.19205	1.1
453.20816	0.8
454.67587	0.3
465.20947	7.8
467.18686	0.6
469.19952	0.7
494.45825	0.4
521.34265	0.4
522.35046	1.0
533.26886	0.4
548.36346	0.4
553.29767	5.6
562.38251	0.4
579.37732	0.4
580.38470	0.4
745.16364	0.4
777.43738	100.0
778.44006	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	778.531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.05512	11.5
55.34882	0.9
57.03440	8.9
57.07075	5.3
67.05502	14.4
69.07069	19.5
71.05003	1.8
71.08641	2.3
71.10273	1.2
71.93941	0.9
75.59200	0.9
79.05486	8.6
80.64642	0.9
81.03419	45.0
81.07057	14.9
83.04980	2.9
83.08622	21.2
85.06544	1.2
85.10217	1.7
91.05484	9.0
93.07045	8.0
95.04971	11.5
95.08612	14.7
97.02892	2.3
97.06520	2.3
97.10172	8.9
105.07026	6.3
107.04964	3.2
107.08607	5.1
109.06505	1.7
109.10140	5.9
111.08089	3.5
111.11733	1.9
119.08572	4.7
121.06492	2.2
121.10163	9.2
123.04420	1.6
123.08116	1.1
123.11732	2.1
125.09624	1.7
127.49987	0.9
129.07001	4.1
131.08562	3.6
133.06468	1.7
133.10104	2.1
135.11674	4.8
142.07741	1.1
145.10164	1.1
147.08047	1.6
147.11693	3.7
147.30316	0.9
149.13237	1.9
157.10168	5.9
159.78079	0.9
169.92685	0.9
170.00711	0.9
175.11211	4.2
184.07414	2.3
193.12230	13.8
247.24217	1.4
249.14920	1.9
265.25226	1.3
267.15912	100.0
268.16217	2.7
339.28934	85.4
340.29123	3.3
457.36960	2.3
463.25473	1.1
531.40472	76.0
532.40845	3.9
549.41370	13.7
550.42163	1.2
573.41577	2.7
657.44543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05508	0.9
57.03436	2.0
59.56665	0.5
61.02928	5.1
67.05505	4.8
69.03434	2.8
69.07066	2.0
71.01348	0.5
71.04993	3.1
73.02910	4.1
76.27011	0.5
79.05509	3.7
81.03423	2.7
81.07051	3.4
83.04983	0.9
83.08630	1.0
85.02907	5.9
91.03954	4.0
91.05481	3.6
92.49199	0.5
93.07037	3.2
95.04983	1.5
95.08591	2.3
97.02878	3.7
97.06541	0.8
99.04490	0.6
101.02380	1.7
105.07043	2.3
107.04914	0.8
107.08577	2.7
109.02888	1.2
109.06504	0.5
109.10146	2.8
119.08593	1.4
121.10176	1.1
127.03915	1.9
129.05455	1.0
129.07016	0.5
131.08543	0.6
133.10141	1.4
134.26915	0.5
135.11691	2.5
137.09628	1.3
145.04990	0.6
145.10216	0.5
151.11256	0.8
160.28392	0.4
163.11211	0.7
185.04301	1.6
193.12225	0.8
195.13901	0.6
199.11671	0.5
203.05272	0.6
216.11768	0.5
221.11618	0.6
229.29123	0.6
236.87686	0.6
243.08376	4.5
247.13347	0.5
253.14131	1.0
301.08942	2.1
313.17828	0.5
315.10471	1.8
319.15561	0.5
331.18979	1.6
357.15460	0.6
369.15070	1.2
371.16684	2.4
373.11130	2.0
411.20084	0.8
425.21613	1.9
429.17477	1.9
439.19351	4.4
451.18900	0.6
469.20505	1.8
471.22012	6.9
485.23651	0.8
489.28546	0.8
497.23874	2.0
511.21448	4.6
525.23273	1.5
531.25568	0.9
535.29236	0.7
543.24194	1.0
549.26636	1.6
551.28162	0.6
553.29865	1.8
567.27838	2.2
570.98053	0.6
579.30927	1.3
593.33185	0.9
594.33466	2.8
622.33203	9.2
635.34259	0.8
651.33295	1.0
654.32532	0.6
681.34283	1.8
725.28497	0.6
733.41296	19.6
734.41907	0.5
761.40900	6.4
777.40326	1.5
778.44385	0.9
779.41980	100.0
780.41931	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	779.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81632	0.8
70.60308	0.8
100.39559	0.7
101.58841	0.9
130.97955	0.8
259.85788	0.8
268.16702	0.8
498.81396	0.9
705.02338	0.8
718.89166	0.8
742.96991	0.8
751.49902	0.9
779.43427	100.0
780.43286	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	779.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05514	0.9
57.03439	1.9
59.05003	0.7
59.91251	0.2
61.02924	5.2
64.81802	0.2
67.05501	4.6
67.05824	0.5
68.00340	0.3
69.03432	3.2
69.07072	0.6
69.87714	0.4
69.88048	0.6
71.01359	0.5
71.04994	1.3
73.02910	3.5
79.05492	3.2
81.03423	3.4
81.07057	4.7
83.05007	0.3
83.08627	0.7
85.02902	4.5
87.04478	0.8
91.03951	3.7
91.05473	2.7
93.07036	2.9
95.04971	1.0
95.08599	3.2
97.02881	4.8
97.06533	0.4
97.10165	0.7
99.04454	0.9
101.02377	2.0
103.03905	0.3
105.04389	0.3
105.07034	1.4
107.08574	2.3
109.02882	1.0
109.06506	0.4
109.10176	0.9
111.08072	0.5
115.03983	0.5
117.07041	0.4
119.08572	1.4
121.10146	2.2
123.11739	0.3
127.03931	1.4
129.07053	0.4
131.08588	1.4
133.10149	0.7
135.11726	0.7
145.04994	0.5
145.10088	0.4
147.11716	1.1
149.09665	1.0
153.77365	0.3
157.10081	0.5
158.09734	0.3
162.42567	0.2
185.04256	0.6
193.12332	1.0
197.15393	0.4
203.05299	0.6
225.14836	0.4
227.18614	0.3
243.08388	2.5
267.15976	0.3
283.15170	5.2
335.25790	1.0
339.17831	0.8
426.85580	0.3
469.20471	0.6
501.23022	7.8
502.23956	0.4
519.29248	8.3
779.45441	100.0
780.45801	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	779.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05499	1.6
57.03427	1.9
57.07051	0.4
57.11475	0.4
59.05039	0.5
61.02927	4.8
63.10934	0.5
65.03919	0.5
67.05508	6.6
69.03426	3.2
69.07064	1.7
71.04990	4.2
71.08633	2.3
73.02920	4.4
79.05492	4.1
81.03408	2.4
81.07053	7.4
83.04979	1.2
83.08620	1.5
85.02901	4.5
85.06539	0.8
91.03960	2.9
91.05483	3.6
93.07045	5.6
95.04985	0.9
95.08592	2.7
97.02883	4.1
97.06520	1.3
97.10146	0.9
99.04502	0.8
99.08111	1.4
101.02377	1.9
103.03992	0.7
105.07026	2.2
107.08607	2.5
109.02901	0.9
109.06497	0.5
109.10165	1.5
111.20089	0.5
117.07047	1.2
119.08575	1.1
121.10141	2.1
123.11708	1.3
125.00003	0.6
127.03930	1.4
129.05528	0.5
129.07018	0.5
131.08571	1.0
131.73505	0.4
131.76192	0.5
133.10124	3.1
135.11707	1.7
143.43288	0.5
149.13252	0.9
151.11162	1.8
159.11729	1.2
161.13268	1.0
163.11214	0.6
179.14297	2.1
203.05135	0.7
210.41808	0.6
218.56558	0.5
243.08397	3.7
257.17517	0.7
267.15567	1.3
277.21414	0.5
301.16446	1.1
317.20831	4.3
318.75385	0.5
323.18448	0.9
337.27292	1.0
373.23572	1.6
453.21121	0.7
480.55759	0.6
485.23596	10.6
535.21167	0.7
535.28784	9.3
546.38531	1.0
563.39496	0.7
564.39594	1.3
630.85040	0.6
779.45868	100.0
780.45404	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05518	1.4
57.03432	1.6
59.05005	0.5
61.02929	4.7
61.08567	0.3
65.03961	0.3
67.05502	4.1
69.03431	3.0
69.07072	1.2
69.29185	1.2
71.01328	0.4
71.04997	0.7
73.02920	3.6
79.05486	2.7
79.71305	0.2
81.03416	1.9
81.07056	4.0
83.08638	0.8
85.02901	4.8
87.04459	0.6
91.03964	3.3
91.05479	2.2
93.07037	3.2
95.05003	0.7
95.08599	3.1
97.02896	3.7
97.06519	0.3
98.23438	0.4
99.04473	0.8
101.02383	1.5
103.03945	0.5
105.07042	0.9
107.08611	1.6
109.02910	0.8
109.10134	1.3
111.08050	0.3
115.03925	0.3
117.07014	0.4
119.08573	1.2
121.10156	2.0
123.11745	0.6
127.03914	1.1
129.06958	0.3
131.08524	1.2
133.10144	0.5
135.11702	0.7
145.10179	0.3
147.11635	1.1
149.09674	0.7
157.10155	0.5
159.11787	0.4
161.13361	0.2
175.11180	0.3
183.41174	0.2
185.04326	0.6
193.12347	0.6
197.15477	0.2
203.05319	0.4
233.11539	0.4
243.08401	2.1
259.07751	0.4
261.22128	0.3
267.16049	0.4
283.15143	4.7
335.26041	0.8
335.80984	0.2
339.17914	0.7
342.12952	0.2
402.09250	0.3
433.00455	0.2
469.20819	0.3
501.23126	5.5
508.04083	0.2
519.29358	7.7
520.29779	0.5
576.33838	0.3
617.41046	0.4
765.05286	0.3
779.45471	100.0
780.45807	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	779.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.03438	2.1
61.02930	4.5
67.05507	2.8
69.03426	2.5
71.46053	1.3
73.02919	3.0
79.05502	2.0
80.63943	1.0
81.03427	3.7
81.07072	4.1
83.08614	1.2
85.02917	4.6
91.03974	2.2
91.05518	3.9
93.07067	3.3
95.08614	2.6
97.02903	4.7
105.07053	1.5
107.08642	2.8
109.10173	2.2
121.10167	2.8
129.79379	1.0
131.08571	1.7
133.10136	1.6
149.09671	1.1
160.54404	1.5
179.26891	1.1
243.08389	1.9
283.15305	3.4
424.59305	1.4
428.90506	1.3
496.12338	1.3
501.23099	9.5
519.29529	5.1
558.53741	1.3
720.02625	1.4
779.45490	100.0
780.45734	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	779.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
55.05521	1.2
57.03445	1.3
57.07083	1.4
61.02930	4.1
63.24696	0.3
63.64052	0.3
67.05503	4.1
69.03427	2.2
69.07074	1.5
71.01371	0.3
71.04990	3.1
73.02913	3.6
79.05491	3.4
80.45100	0.2
81.03403	1.6
81.07058	5.2
81.07496	0.4
83.05002	0.5
83.08633	0.7
85.02909	3.7
85.06567	0.4
87.04491	0.8
89.06042	1.6
91.03964	2.7
91.05488	3.5
93.07034	3.8
93.07500	0.3
95.01066	0.3
95.05006	1.1
95.08605	2.1
97.02236	0.4
97.02882	4.2
97.06543	0.7
99.04464	0.8
101.02364	1.5
103.03948	0.4
103.05437	0.4
105.07024	2.4
107.08583	2.3
109.02885	0.7
109.10194	1.0
111.08118	0.4
117.07079	0.9
119.08593	1.5
121.06547	0.5
121.10140	1.3
123.08134	0.3
123.11739	0.9
124.88516	0.3
127.03935	1.3
131.08617	0.9
133.08627	1.1
133.10117	2.2
133.99158	0.3
135.11737	1.1
143.08574	0.5
145.10175	0.5
147.11755	1.0
149.09674	0.3
149.13287	1.2
149.22626	0.3
151.11235	1.2
159.11716	0.8
161.13301	0.4
173.13303	0.4
177.11307	0.5
183.13730	0.4
185.04236	1.3
187.13327	0.5
201.03789	0.5
203.05345	0.6
221.02170	0.3
233.19128	0.3
241.06972	0.3
243.08392	3.0
257.17542	0.7
259.20700	0.7
267.15710	1.5
301.08835	1.3
315.10590	0.6
317.21033	0.4
323.18344	0.4
365.19302	0.5
429.17404	0.4
441.21194	0.5
453.20996	0.5
465.20712	0.3
485.23593	9.1
486.24283	0.5
508.91162	0.3
535.28693	6.0
557.25433	1.4
641.35205	0.3
652.34686	0.3
779.45502	100.0
780.45819	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	780.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
65.03922	1.5
67.01885	0.6
67.05475	0.6
68.99780	5.8
71.00694	0.6
75.77578	0.5
79.01852	0.8
79.50114	0.4
81.03403	3.4
83.04990	0.6
93.03424	0.7
95.04941	1.1
97.02900	0.8
97.66726	0.4
105.03391	1.1
107.04951	0.6
109.02163	0.8
109.02873	8.3
111.00792	5.4
111.04439	1.2
119.04921	0.6
121.02837	1.6
123.04422	12.5
125.02333	0.8
127.03908	46.4
128.04283	1.0
131.04958	0.6
133.02850	3.8
133.06546	0.5
135.04387	1.2
139.03891	100.0
140.04240	2.6
143.03453	1.0
145.02882	0.7
145.06569	0.7
147.04376	3.6
149.02322	3.8
149.05954	1.3
150.03113	1.0
151.03897	53.2
152.04280	1.4
153.01819	12.1
153.02962	1.3
153.05443	0.5
154.61761	0.4
155.03381	20.1
155.65068	0.5
156.03763	0.6
157.06464	0.6
159.04422	1.4
161.02287	0.6
161.05980	1.2
163.03896	10.1
165.05495	1.7
167.03358	2.6
171.04359	1.3
173.05975	1.3
175.03876	7.3
177.05446	4.3
178.20399	0.4
179.03384	26.1
180.03731	0.7
181.05000	2.3
183.04449	0.6
185.05965	1.5
187.03894	0.7
189.05472	2.8
191.03412	5.3
191.87634	0.4
193.04939	2.7
197.05952	0.9
199.03867	3.3
201.05437	3.3
203.03374	10.5
203.06844	0.6
204.03763	0.5
205.04974	5.2
213.05435	6.7
215.03403	1.1
215.06929	0.5
217.04974	5.2
219.06592	0.9
221.04427	0.7
223.02303	1.1
225.05431	0.7
227.03384	1.1
227.37926	0.5
229.04935	4.1
231.02921	0.8
231.06432	3.1
233.04527	2.8
241.04843	4.0
245.04453	13.0
247.06039	2.0
251.05466	0.6
253.05009	1.0
257.04440	12.8
258.04962	1.5
259.05969	4.0
261.03897	0.6
263.05481	13.3
263.08160	0.9
269.04401	5.2
271.05975	2.4
275.05450	9.5
277.07059	8.8
281.04636	0.7
287.05475	44.9
288.05753	1.7
289.06992	6.4
295.05988	0.7
299.05533	8.5
301.07025	0.9
305.06531	48.8
306.06937	0.7
311.05545	1.2
313.06912	1.3
317.06503	9.9
323.05475	1.3
331.08173	1.3
360.17905	0.5
361.07196	1.0
389.06345	1.0
407.07535	8.2
425.08603	17.5
426.08783	1.3
431.07809	0.5
437.08563	1.7
443.03552	0.8
443.09714	12.0
449.08694	1.2
455.09927	2.1
455.99731	0.5
459.09247	2.0
467.09622	1.7
501.10361	0.8
568.10742	0.5
575.11615	0.7
577.09680	3.6
593.12738	1.6
595.10760	2.8
724.19189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
55.05520	1.0
57.03445	1.8
57.07099	0.3
61.02929	3.9
65.03941	0.3
67.05508	4.4
69.03434	2.7
69.07063	1.8
71.01334	0.3
71.04998	2.6
71.08634	0.6
73.02921	3.6
74.91221	0.3
79.05492	3.1
81.03420	2.5
81.07060	4.1
83.05000	0.9
83.08652	0.9
85.02909	3.9
85.06578	0.5
87.04465	0.4
88.44807	0.3
91.03951	2.4
91.05482	2.9
92.05811	0.4
93.07050	3.1
95.04998	1.2
95.08610	2.1
97.02896	3.4
97.06535	0.5
98.22634	0.8
99.04487	0.7
99.08099	0.4
100.14732	0.3
101.02415	1.3
103.03968	0.6
105.07060	1.4
107.05002	0.3
107.08611	2.0
109.02958	0.4
109.10143	2.3
110.83364	0.3
111.08118	0.7
115.03971	0.4
117.07038	0.5
119.08608	1.7
119.76257	0.3
121.10178	1.2
123.11697	0.5
127.03921	1.0
129.07034	0.5
131.08621	0.6
133.10199	1.4
135.11717	1.9
137.09656	1.3
145.10172	0.4
149.09673	0.4
149.13307	0.5
159.11754	0.4
163.11258	0.4
173.12128	0.4
179.14484	0.4
184.07332	0.6
193.12390	0.4
203.05327	0.4
207.70926	0.3
229.94992	0.3
231.07005	0.4
243.08366	3.2
251.12646	0.6
253.14180	0.8
255.03029	0.3
317.20966	0.4
333.20523	1.2
384.50955	0.3
439.19473	1.1
443.19098	0.6
453.20966	2.5
469.20432	1.4
471.22031	4.5
472.22867	0.3
487.21725	0.8
525.26746	0.6
535.29108	1.1
551.28430	3.4
552.29419	0.4
553.29858	0.5
619.38141	0.3
699.34698	0.7
737.40717	0.9
763.42261	0.7
781.43390	100.0
782.43774	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	781.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.2
57.03442	1.2
61.02925	3.8
63.56228	0.3
65.03928	0.5
67.05506	5.7
69.03436	3.1
69.07076	1.9
70.13670	0.4
70.14001	0.6
71.01375	0.4
71.04996	3.0
71.08626	0.4
73.02914	2.8
76.88504	0.3
79.05487	3.4
81.03416	2.5
81.07056	3.3
83.04999	0.9
83.08624	0.7
84.41478	0.4
85.02908	3.4
85.06568	0.3
87.04488	0.4
91.03941	2.6
91.05476	2.6
93.07045	3.2
94.34772	0.3
95.04979	1.3
95.08599	1.8
95.75797	0.3
97.02899	2.9
97.06508	0.8
97.10201	0.5
99.04473	0.6
101.02411	1.4
103.03945	0.4
105.07063	1.3
107.05003	0.4
107.08588	1.7
109.02905	1.0
109.10164	2.4
115.03996	0.4
119.08593	1.7
121.10178	1.3
127.03927	1.4
131.08557	0.8
133.10123	0.6
135.08038	0.3
135.11700	2.1
137.09644	1.1
145.10144	0.8
147.11694	0.6
149.13231	0.4
159.11761	0.4
163.11223	0.4
173.11839	0.8
185.04189	0.5
219.23558	0.3
243.08401	3.6
243.16058	0.6
253.14240	1.0
309.16940	0.4
333.20490	1.1
421.12784	0.6
427.19574	0.7
439.19275	1.5
443.19116	0.4
453.21002	1.2
461.11826	0.5
469.20694	1.0
471.22031	7.7
487.21249	0.5
497.63934	0.4
535.29065	0.6
537.30652	0.6
551.28284	3.9
683.36145	0.7
699.35773	1.4
721.33081	1.0
763.42493	0.5
781.43365	100.0
782.43622	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05522	1.1
57.03443	2.1
57.07072	2.2
58.07396	0.4
59.04991	0.5
61.02633	0.4
61.02927	6.4
65.03938	0.2
67.05161	0.4
67.05505	7.0
69.03072	0.3
69.03428	3.9
69.07063	0.9
71.01363	0.6
71.04999	0.5
73.02917	13.2
73.06566	0.2
74.03254	0.6
79.05492	2.6
79.39366	0.2
81.03413	2.1
81.07059	4.9
81.19754	0.3
83.04987	0.4
83.08620	0.8
85.02905	7.1
85.06529	0.4
87.04460	1.1
88.53698	0.2
89.06031	0.8
91.03958	4.9
91.05484	2.0
93.07045	3.9
95.04961	0.5
95.08605	4.0
97.02895	5.9
97.06521	0.3
97.10208	0.2
98.23563	0.3
99.04446	1.2
101.02368	2.2
103.03935	0.7
105.07019	1.0
107.08601	2.2
109.02898	0.8
109.10164	5.1
111.08072	0.3
115.03917	0.5
117.07019	0.4
119.08587	1.3
121.06509	0.9
121.10143	1.9
123.08097	0.3
123.11738	0.5
127.03915	1.9
129.05493	0.3
131.07088	0.3
131.08548	0.8
133.08597	0.5
133.10121	0.7
135.11707	1.1
137.09581	0.3
145.04944	0.6
145.10098	0.5
147.08014	0.4
147.11707	0.4
149.13220	0.5
155.10684	0.3
159.11673	0.4
161.08101	0.2
161.13263	0.4
163.11240	0.3
165.09032	0.3
165.59407	0.2
167.10776	0.2
173.11731	1.1
185.04193	1.2
187.14813	0.2
195.08295	0.3
195.09891	1.5
203.05296	0.7
205.10719	0.7
229.14372	0.7
233.18985	0.3
243.08430	2.5
251.12572	0.3
257.13895	0.3
261.22092	0.3
277.21573	0.3
278.22125	0.4
322.24435	0.3
335.25870	1.3
413.17776	6.8
441.17245	0.3
503.21191	0.2
519.29333	11.1
520.29449	0.5
529.35175	0.4
543.46527	0.2
611.30328	0.4
679.80249	0.3
691.40253	100.0
692.40619	6.0
735.42590	0.7
763.42432	1.5
781.42609	18.7
782.43042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05411	0.8
55.05683	0.6
57.03319	1.1
57.03623	0.6
57.06980	0.3
61.02805	3.7
61.03154	1.1
67.05377	6.6
67.05782	1.6
69.03299	2.2
69.03706	0.4
69.06965	0.6
69.07290	0.3
71.01260	0.4
71.04890	0.5
73.02783	3.0
73.03226	0.7
79.05354	1.7
79.05842	0.7
81.03276	1.7
81.06914	2.8
83.04885	0.4
83.08535	0.5
85.02759	5.0
85.06410	0.3
86.09621	0.3
91.03803	3.4
91.04414	0.4
91.05334	1.1
93.06901	2.3
93.96557	0.3
95.04843	0.7
95.08452	2.1
97.02740	5.1
97.03410	0.5
98.23513	0.6
98.72752	0.3
99.00678	0.3
99.04352	0.8
101.02219	1.9
103.03833	0.4
105.06858	1.0
107.08427	1.2
109.02781	0.6
109.09988	6.0
109.10781	0.5
111.07988	0.3
115.03831	0.4
119.08401	0.8
121.09959	1.4
123.11540	0.3
127.03896	1.8
131.08385	0.4
133.09961	0.4
134.04716	0.3
135.11520	0.9
137.09521	0.4
145.04762	0.7
145.09947	0.3
155.10526	0.6
163.11028	0.3
173.11723	2.9
184.07253	0.7
185.04004	0.9
195.09700	1.0
196.24931	0.3
203.05119	0.6
229.14163	0.9
243.08342	2.6
243.87019	0.3
251.12459	0.4
267.15979	0.3
335.25659	0.9
383.78497	0.3
413.17789	14.1
414.18137	0.5
422.92145	0.3
441.17172	0.6
485.20294	0.5
519.29327	6.7
520.29559	0.7
529.34857	0.4
578.30585	0.3
604.13452	0.3
611.30231	0.7
691.40240	100.0
692.40497	7.1
693.32666	0.5
735.42694	0.7
763.42444	1.1
781.42938	23.7
782.43695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05341	0.4
55.05586	1.0
57.03509	2.1
59.05055	0.5
59.66183	0.3
61.02670	0.4
61.03007	4.5
61.21573	0.3
64.27174	0.3
67.05202	0.8
67.05592	7.5
69.03522	2.9
69.07141	0.6
69.79795	0.3
71.01420	0.5
71.05082	1.0
71.19994	0.4
72.16497	0.3
73.03013	2.9
79.05605	1.6
81.03522	1.5
81.07162	3.9
83.08702	0.7
85.02468	0.6
85.03017	6.0
87.04559	0.6
89.11981	0.3
91.04076	3.7
91.05605	1.4
93.07172	2.6
95.08734	2.5
97.03020	4.8
97.06616	0.4
99.04559	0.9
101.02511	1.9
103.04061	0.4
105.07154	0.7
107.08725	1.5
109.02961	0.7
109.10294	5.9
115.04037	0.6
119.08686	0.9
121.10299	1.1
123.11774	0.4
127.03928	1.8
131.08719	0.5
133.10323	0.5
135.11792	0.8
137.09776	0.5
145.05016	0.6
145.10182	0.3
147.11848	0.4
149.13338	0.5
155.10788	0.6
170.72372	0.3
173.11748	2.0
185.04407	0.9
195.10086	0.7
203.05434	0.5
229.14275	1.5
243.08414	3.0
261.22607	0.4
267.15863	0.4
335.26315	0.6
413.17789	11.7
414.18314	0.4
485.24182	0.7
519.29272	6.0
537.30566	0.6
560.05249	0.3
560.14923	0.3
600.90375	0.4
613.06427	0.4
691.40234	100.0
692.40588	6.5
763.42255	0.8
781.43756	20.4
782.44373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01925	0.4
55.05573	0.8
57.03503	1.6
61.02661	0.4
61.02999	4.0
67.05188	0.5
67.05582	5.6
69.03510	2.4
69.07148	0.4
71.01411	0.4
71.05055	0.5
73.03003	3.0
79.05583	1.7
81.03518	1.3
81.07153	3.2
82.37061	0.3
83.08685	0.4
84.44049	0.3
85.03004	3.9
91.03957	3.1
91.05582	1.0
93.07152	1.7
95.08616	2.0
97.03006	3.6
98.23527	0.4
99.04577	0.8
101.02512	1.3
105.07147	0.7
107.08707	0.7
109.03002	0.8
109.09503	0.3
109.10284	4.1
111.08202	0.5
115.03998	0.4
119.08720	0.8
121.10165	1.2
127.03215	0.4
127.03942	1.6
131.08672	0.4
132.83714	0.3
133.10251	0.7
135.11818	0.5
135.43491	0.3
137.09714	0.4
145.05142	0.5
147.11758	0.5
149.13379	0.3
155.10745	0.3
173.11925	1.2
185.04260	0.7
195.10091	0.7
203.05586	0.5
216.39517	0.3
228.75420	0.3
229.14607	1.1
243.08450	1.7
335.25983	0.5
384.32187	0.3
413.17789	6.9
503.21103	0.4
519.29279	6.9
520.30121	0.4
691.40228	100.0
692.40485	6.9
717.41412	0.3
735.43152	0.6
763.41376	0.9
781.41998	21.7
782.41882	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	781.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05511	1.8
57.03434	1.7
59.04982	0.4
61.02925	4.3
67.05505	4.5
69.03426	2.3
69.07069	2.0
71.01352	0.3
71.04992	0.9
71.08621	0.2
73.02920	3.4
74.65620	0.2
76.88967	0.2
77.04010	0.2
79.05489	1.8
81.03407	2.1
81.06580	0.2
81.07059	4.8
83.04993	0.4
83.08617	1.4
85.02909	4.8
85.06534	0.5
87.04463	0.5
91.03958	2.9
91.05476	1.8
93.07047	2.0
95.04979	0.5
95.08614	2.8
96.08939	0.2
97.02886	4.0
97.06530	0.5
97.10188	0.7
99.04469	0.6
101.02374	1.4
103.03963	0.4
105.07035	1.3
107.08614	1.2
109.02888	0.5
109.10155	1.5
115.03958	0.4
119.08616	0.9
121.10143	1.4
123.11735	0.6
125.09755	0.2
127.03910	1.0
129.07030	0.3
131.08574	0.8
133.09145	0.2
133.10156	0.9
135.11719	0.3
145.04967	0.5
147.11702	0.6
149.09669	0.6
157.10226	0.6
161.13240	0.3
177.77893	0.2
184.07437	0.4
185.04210	0.5
193.12308	0.7
197.15533	0.3
203.05377	0.2
220.56909	0.2
225.15007	0.3
243.08337	1.8
263.23837	0.3
267.15988	0.3
283.15152	4.3
337.27502	0.8
339.17905	0.4
339.29080	0.2
393.91989	0.3
501.23035	6.0
521.30878	6.3
522.31091	0.4
601.39581	0.2
619.42096	0.5
703.06061	0.2
740.50751	0.2
781.47015	100.0
782.47302	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	782.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01197	0.3
55.05255	0.6
55.05510	7.9
57.03436	3.1
57.07074	4.3
59.05006	0.4
59.21189	0.2
61.02932	0.7
65.03938	0.6
67.05158	0.7
67.05504	9.5
69.03434	2.6
69.07066	12.1
70.17593	0.5
70.17912	0.3
71.01366	0.6
71.08630	1.1
73.02914	7.2
77.03935	0.7
79.05491	5.5
81.07057	29.2
83.08624	7.6
85.02901	3.5
85.10208	0.4
91.05474	5.2
93.07045	18.4
95.01334	1.3
95.04974	0.7
95.08607	52.1
96.08923	0.4
97.02891	7.1
97.10168	5.0
105.04503	0.4
105.07029	10.0
107.08594	28.6
109.10155	32.5
110.10465	0.5
111.04458	0.3
111.11703	2.1
113.02378	0.5
113.11324	0.3
115.03935	5.8
117.07030	0.8
119.08582	20.6
121.10145	28.0
122.10463	0.4
123.08152	0.5
123.11706	18.5
124.12048	0.4
125.06081	0.5
125.09612	0.5
131.08571	4.4
132.06584	0.4
133.04974	2.6
133.10127	19.4
135.11694	23.5
137.13264	11.5
139.07536	0.6
141.01825	7.2
143.08549	0.7
145.10138	8.4
146.10896	0.3
147.11684	14.7
149.13254	25.7
150.07661	0.7
150.13615	0.3
151.07603	0.4
151.14786	0.8
153.09076	2.5
157.10146	1.0
159.02879	2.4
159.11707	5.2
160.12297	0.4
161.13255	9.4
162.13771	0.4
163.07590	0.4
163.14818	7.7
165.09117	0.5
167.10695	0.6
167.16927	0.3
171.11678	1.3
173.13257	5.6
174.14017	0.3
175.14821	7.1
177.03949	0.3
177.16377	6.6
179.10696	2.3
179.14468	0.3
179.17918	2.4
185.13231	0.9
186.14143	0.4
187.14810	4.0
189.16383	28.5
190.16727	0.6
191.10674	0.8
191.17940	45.2
192.18288	0.8
193.12221	0.8
193.15872	0.5
193.19577	0.6
199.14761	1.5
201.16382	36.2
202.16776	1.1
203.17950	35.0
204.18344	1.0
205.19514	33.4
206.19902	0.7
207.13718	0.4
207.17444	1.0
213.16367	2.1
215.17950	16.1
216.18286	0.4
217.16118	0.5
217.19502	8.8
219.17375	1.3
219.21114	1.0
221.15410	1.4
221.18999	0.7
223.16882	0.6
227.17870	1.5
229.19458	2.3
231.17415	0.8
231.21048	2.7
233.15321	0.9
235.14781	0.6
235.16931	6.5
241.19528	2.9
243.21101	5.0
245.22676	4.1
247.16928	25.0
248.17270	0.7
249.18498	4.8
255.04990	0.9
255.21036	2.8
257.22647	2.9
259.16946	0.6
261.18481	9.7
269.22662	2.0
273.06055	1.9
273.18521	0.6
275.20044	1.1
283.24234	0.7
287.20038	1.3
289.21518	3.2
291.07138	1.2
295.24359	0.5
297.25821	0.7
299.20532	0.3
301.21619	1.4
303.23276	0.5
309.08157	1.2
311.27432	0.3
315.23218	1.1
326.10938	0.6
329.24625	0.7
343.26346	0.6
351.30298	0.6
355.26382	0.6
369.94766	0.3
383.29605	0.4
393.35168	12.5
394.35669	0.7
421.34625	1.1
439.35709	100.0
440.36053	4.2
571.54944	0.3
782.43298	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	68.6
59.22495	1.9
87.04468	32.8
89.06033	100.0
91.05472	7.2
93.07047	5.8
94.10828	1.8
95.04939	2.1
103.05468	2.6
107.04948	1.9
107.07059	2.5
107.08582	5.5
110.33200	1.6
115.44279	2.0
117.07026	3.7
117.32292	2.0
118.07813	4.7
119.04907	2.9
119.08574	6.2
121.06517	12.3
131.07001	14.2
133.08609	68.3
133.10100	2.8
135.08052	8.1
135.11673	3.8
147.08047	10.8
149.09607	3.5
150.06755	5.4
163.11172	5.4
165.09109	4.5
175.09656	5.9
177.11227	22.0
191.10670	3.1
209.11673	2.6
219.17444	16.2
221.13817	3.6
221.45279	1.7
235.13332	2.4
245.19000	6.4
252.59164	1.9
255.15860	2.4
263.20059	24.6
279.15976	2.3
289.21359	3.3
307.22675	8.5
765.50134	9.1
782.39850	2.7
782.52240	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	783.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.3
57.07078	1.2
59.05023	0.8
61.02921	4.6
67.05506	2.1
69.03448	2.1
69.07066	1.9
69.22797	2.2
69.23184	1.6
71.05006	1.1
73.02923	2.5
79.05502	1.4
80.77905	0.7
81.03433	2.7
81.07073	2.9
83.08642	1.4
85.02929	3.7
91.03980	2.1
91.05492	1.3
93.07047	1.3
95.08628	2.8
97.02927	3.2
97.10185	1.3
98.22706	1.9
101.02403	1.6
103.03970	1.0
107.08579	1.0
109.02914	0.7
109.10151	1.1
115.03932	0.9
121.10191	1.1
127.03915	1.2
131.08647	1.4
147.11737	0.9
157.10191	0.9
193.12485	1.1
203.05338	0.8
243.08531	1.8
283.15063	5.2
339.28857	1.0
388.46335	0.7
501.23029	10.5
523.32806	4.5
572.19873	0.9
783.48608	100.0
784.48920	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	783.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.7
57.03436	1.4
57.07073	1.2
61.02928	3.8
67.05511	2.8
69.03439	2.2
69.07069	1.5
69.36674	1.4
69.37063	1.5
71.05009	0.7
71.08641	1.0
73.02919	3.3
74.35939	0.6
79.05514	1.4
81.03439	2.4
81.07045	3.4
83.08634	1.9
85.02918	4.0
85.10195	0.9
89.68882	0.6
91.03975	2.3
91.05517	0.9
93.07031	1.5
95.08588	2.9
97.02897	3.1
97.10174	1.0
98.23509	0.6
99.04483	0.8
101.02430	1.0
107.08588	0.9
109.10185	1.8
121.10168	1.7
127.03954	1.4
133.10187	0.7
134.41016	0.7
135.11716	1.4
153.12479	0.6
184.07425	1.0
193.12227	0.7
203.74678	0.6
243.08553	1.9
265.25421	0.9
267.16037	0.8
276.49930	0.6
283.15207	4.8
313.03183	0.7
313.27466	1.3
391.01602	0.6
501.23157	6.2
505.39511	1.0
513.46649	0.6
522.38037	0.8
523.32684	7.4
523.40320	1.7
549.15710	0.6
610.66315	0.8
670.65833	0.7
783.48602	100.0
784.48767	7.5
790.70856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.5
61.87991	0.5
63.61129	0.5
69.07069	1.0
71.08636	1.1
71.45248	0.5
76.18486	0.5
81.06419	0.5
86.09708	100.0
87.10054	0.7
98.09713	1.2
105.07025	1.2
112.11244	6.9
120.08108	39.8
132.21474	0.5
146.09671	2.1
154.15912	18.7
157.13359	10.3
185.12863	13.9
188.14359	6.1
191.11803	0.7
199.18074	15.2
205.07924	0.5
209.16675	0.5
219.11372	1.0
225.19615	6.7
227.17545	13.9
233.16499	14.7
253.19125	7.3
259.18048	2.0
261.15991	13.0
261.18597	0.8
267.24316	6.6
270.74826	0.5
287.17538	3.0
295.23813	5.7
298.21265	7.2
301.22809	7.6
308.19736	0.6
329.22345	4.2
332.19635	6.7
340.26080	2.1
350.20761	0.5
366.27560	2.4
374.24347	3.5
383.30182	1.4
400.25937	3.5
411.29660	3.3
417.28671	1.2
425.35028	0.6
442.30722	1.6
445.28091	2.9
453.34470	0.9
459.33240	1.5
479.36008	1.7
487.32690	2.2
496.38535	1.0
513.34271	3.1
515.32678	0.6
524.38275	4.1
530.37189	1.9
546.42059	0.6
555.38983	1.5
558.36414	9.4
592.44098	1.1
600.41217	1.5
626.42682	4.8
637.46417	2.2
643.45490	4.4
653.43903	0.7
668.47528	1.0
671.44928	17.8
672.44849	0.9
739.51331	3.7
756.53851	9.0
757.54938	0.7
766.52185	2.8
784.53314	13.2
785.52887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81506	0.2
55.01864	0.9
55.05508	0.4
57.03436	1.5
57.07077	0.2
61.02924	3.2
65.03944	1.7
67.05487	0.3
69.03424	6.4
69.07080	1.2
71.04982	0.9
73.02901	1.1
79.05477	0.2
81.03415	2.5
81.07046	0.2
83.01327	0.2
83.04988	0.5
83.08611	0.6
85.02899	37.6
86.03226	0.3
87.04494	0.8
87.92072	0.2
91.03941	1.7
91.05482	0.3
93.03407	1.0
97.02886	9.4
97.06524	0.6
98.90797	0.2
99.04431	1.5
103.03938	0.4
107.04969	0.5
109.02866	3.4
109.03560	0.3
109.06574	0.2
111.04439	1.6
111.89464	0.2
115.03949	0.4
119.04929	0.6
121.02858	3.8
121.06535	0.3
123.04434	0.8
125.05984	1.8
127.03907	10.6
128.04237	0.2
131.08539	0.2
137.05968	0.4
138.03110	0.4
139.03889	100.0
140.04237	1.3
144.06548	0.2
145.04947	18.6
146.05296	0.2
147.04428	0.6
149.06006	0.7
153.05457	22.6
154.05725	0.2
162.07552	0.4
163.06033	8.1
163.07509	1.3
169.04823	0.3
175.03807	0.9
177.05486	0.3
177.09091	0.4
180.08707	0.6
181.07100	0.2
204.08701	0.2
205.04996	0.2
207.06479	2.1
219.17302	0.2
233.15289	0.8
237.09360	0.2
242.27380	0.2
247.16919	0.5
251.16412	18.7
252.16730	0.4
253.02554	0.2
263.72754	0.2
265.18011	3.7
266.18503	0.2
268.16687	0.3
271.08237	0.3
283.19019	24.7
284.19312	0.6
289.09082	0.5
295.18991	0.3
305.07248	0.2
325.11343	1.3
327.98975	0.2
349.20007	0.3
369.11551	0.3
441.18970	0.2
468.66882	0.2
786.24445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.4
66.49240	0.4
67.05476	1.3
69.07030	1.0
69.55006	1.5
73.02885	0.4
79.05515	0.5
81.07053	2.3
83.08583	0.5
91.05468	0.6
93.07019	1.1
95.08606	3.5
96.50336	0.3
105.07024	0.4
106.51339	0.4
107.08558	1.6
109.10130	1.7
119.08551	1.4
121.10130	1.9
123.11682	1.1
133.10048	0.7
135.11658	0.5
137.13226	1.0
145.10078	0.5
147.11639	0.4
149.13254	1.3
155.03163	2.1
163.00006	2.2
173.04214	52.7
174.04541	0.5
175.14838	0.5
181.01042	1.2
189.16353	0.6
199.02165	6.9
201.16396	1.4
202.93387	0.4
203.18001	0.7
205.19528	0.5
214.06860	0.4
215.17894	1.8
217.03188	4.6
273.99774	0.4
331.06345	53.7
332.06741	0.8
349.07349	2.6
372.09119	0.5
445.29602	0.7
479.34897	0.6
655.38098	0.4
787.42322	100.0
788.42816	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.2
55.05513	7.0
57.03437	3.5
65.03943	0.8
67.05505	14.0
67.05865	0.8
69.03441	1.5
69.07067	10.9
71.01353	0.5
71.04991	1.0
77.03912	0.4
77.69711	0.3
78.73389	0.4
79.05494	13.1
81.03419	26.3
81.07057	21.3
83.04981	2.9
83.08618	6.8
85.02888	0.4
85.06528	1.1
91.05479	19.1
93.07042	10.9
95.01339	2.5
95.04967	9.9
95.08606	9.5
97.02892	1.4
97.06530	8.5
97.10172	2.2
99.08105	0.5
103.05499	0.6
105.04521	0.5
105.07031	28.0
106.07350	0.5
107.04961	6.8
107.08601	7.4
109.06495	2.0
109.10169	4.4
111.04469	0.7
111.08080	2.7
113.05990	0.6
115.05455	0.6
117.07017	5.0
119.08583	16.0
121.06505	1.6
121.10143	4.2
123.04437	1.2
123.08097	2.0
123.11728	1.0
125.09613	1.3
129.07002	4.3
131.07558	0.4
131.08563	10.6
133.06525	1.1
133.10133	16.0
135.08047	1.7
135.11700	2.6
137.09624	1.4
139.07538	0.6
141.07060	0.7
142.07819	1.0
143.08562	0.8
145.06537	0.8
145.10123	6.1
147.08076	1.3
147.11696	7.1
149.09613	3.8
149.13280	1.3
151.11221	1.6
155.08563	0.9
157.10114	3.9
159.08160	0.7
159.11699	4.0
161.09666	0.6
161.13286	2.3
163.11237	1.7
165.12849	0.4
169.10155	1.5
171.11765	1.1
173.13297	1.0
175.11218	2.8
177.12776	1.5
179.14313	4.3
183.11757	0.9
187.11188	0.9
187.14864	0.6
193.12207	5.2
197.13278	0.6
205.12245	0.6
211.13324	0.9
219.17400	0.7
230.15480	0.9
239.17955	0.5
247.20529	0.7
249.14955	0.6
253.14340	2.0
257.19119	1.4
267.15915	33.2
268.16409	0.7
273.18533	0.9
275.17056	1.0
275.20062	20.6
276.20334	0.6
280.93875	0.4
291.19675	1.2
292.19070	2.7
293.21201	1.0
301.16513	0.8
301.19940	0.4
349.23724	15.3
350.24088	0.9
365.23184	0.8
533.34821	0.7
541.35229	100.0
542.35553	5.5
557.33154	0.5
559.36664	2.8
583.36407	1.1
591.36658	0.9
597.84686	0.5
788.49414	3.5
789.39569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.05513	18.8
55.33329	1.0
55.55445	1.0
57.03434	16.2
57.07080	1.4
61.02922	2.0
63.55273	1.0
65.03930	3.7
67.05502	60.3
68.05830	1.1
69.03423	4.2
69.07066	14.5
69.77693	1.1
70.68711	1.1
70.73460	1.1
71.05001	4.2
71.94166	0.9
79.05490	39.5
79.05955	2.1
81.03415	85.8
81.07052	56.9
83.04977	6.3
83.08612	22.9
85.02900	1.9
85.06537	2.1
86.09711	3.6
91.05479	32.1
93.07041	44.7
95.04966	29.3
95.08601	40.7
95.09213	1.5
97.02894	5.1
97.06530	3.9
97.10159	7.0
99.08060	1.7
105.04520	2.5
105.07023	25.0
107.04943	7.1
107.08588	22.4
107.09260	1.6
109.06513	4.6
109.10157	20.7
111.04440	1.4
111.08073	6.8
115.05447	0.9
117.07017	7.6
119.04929	2.1
119.08570	23.4
121.06509	3.1
121.10150	23.3
123.08080	4.0
123.11687	7.3
125.00005	1.4
125.09631	4.7
128.06171	1.3
129.06996	10.0
131.08548	17.3
133.06485	2.6
133.10124	13.7
135.08098	1.4
135.11687	13.8
137.09601	2.1
137.13266	1.9
142.07787	3.1
143.08580	2.1
145.06470	1.0
145.10127	11.4
147.08038	4.6
147.11674	9.2
149.09627	4.2
149.13243	6.9
151.11163	1.6
155.08640	1.6
157.10118	12.7
159.11653	5.9
161.09572	1.2
161.13284	4.6
163.11201	2.4
163.14828	4.3
165.12772	2.4
168.27219	1.3
169.10120	2.1
171.11725	1.9
173.13254	6.3
175.11205	9.1
175.14880	2.5
183.11719	1.1
184.07310	5.5
185.13194	1.2
187.14824	2.4
189.11203	3.2
189.12787	1.4
193.12245	24.6
199.14903	1.1
201.16408	2.2
211.13324	2.9
227.12740	8.3
233.15265	1.3
235.13153	1.3
243.21085	6.4
249.14835	1.9
261.22107	15.4
267.15894	100.0
268.16245	2.0
273.14807	1.3
279.23251	1.4
290.05206	1.0
301.22150	1.6
301.25290	4.8
309.16888	1.7
317.24738	3.9
331.17535	3.5
335.25784	78.3
336.26089	3.4
353.26834	1.0
359.25751	1.5
403.24576	2.4
411.18759	1.2
417.31458	1.8
421.25653	3.0
435.27585	2.2
435.32587	3.9
453.33704	7.5
471.34952	5.2
489.35678	1.9
527.37280	61.2
528.37433	3.1
545.38330	51.3
546.38159	2.8
559.35706	1.3
569.38330	2.9
591.38446	3.8
758.21814	1.1
789.39838	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	788.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.1
55.05508	24.9
56.72089	0.6
57.03434	7.5
57.07067	1.8
59.05000	2.0
61.02918	2.6
65.03945	2.6
66.04734	0.8
67.05502	63.6
69.03423	10.2
69.07066	33.2
69.70724	2.4
71.04993	25.9
73.02920	1.5
73.06546	0.8
77.03952	0.7
79.05491	32.3
81.03431	5.1
81.07053	87.7
82.07393	1.3
83.04989	5.7
83.08615	12.2
85.02922	2.2
85.06544	8.6
86.09734	1.3
87.04466	1.1
89.06029	0.7
91.05475	35.4
93.07042	29.1
95.04955	9.7
95.08601	16.7
97.02891	11.6
97.06526	7.6
97.10167	11.9
99.08088	1.0
101.05980	0.7
105.04510	1.3
105.07029	21.2
107.04949	7.4
107.08589	22.7
109.06514	4.7
109.10153	16.0
111.04498	1.0
111.08083	4.1
117.07018	9.3
117.91413	0.8
119.04974	0.9
119.06015	0.8
119.08578	10.6
120.08102	1.1
121.06519	3.0
121.10133	9.2
123.08057	3.7
123.11700	12.0
125.09630	9.8
128.06198	1.2
129.07013	2.5
130.07780	1.2
131.08575	9.6
133.06490	2.5
133.10130	21.6
134.07246	0.8
135.08061	3.2
135.11664	5.1
137.09650	2.0
143.08569	4.2
145.10089	5.5
147.08058	6.1
147.11673	3.5
149.09634	2.9
149.13252	7.8
150.79552	0.7
151.11185	7.4
153.09119	0.8
157.10120	3.7
159.11723	5.6
161.09639	3.3
161.13243	1.3
163.11153	2.5
165.09125	1.5
169.10080	1.1
169.12251	1.9
171.10248	0.8
171.11626	1.6
175.11253	2.6
177.12779	4.3
179.10692	0.9
183.13850	3.3
185.13243	1.2
187.11275	0.8
187.13292	3.8
187.14752	0.9
189.11218	3.0
189.12738	1.2
193.12245	1.4
195.11816	1.0
195.13857	3.0
201.14944	1.2
205.12291	1.9
207.14001	0.8
213.14810	0.8
223.13277	22.4
225.14845	5.2
227.12813	3.3
236.05724	0.7
243.16008	0.8
245.19095	1.9
249.14996	2.4
253.14368	3.4
257.17560	2.5
267.16034	2.1
269.17471	8.1
273.18488	13.0
291.19525	84.3
292.19525	1.9
301.20084	28.3
302.20581	1.0
309.20886	1.1
347.22256	2.8
365.23215	21.5
421.25897	1.1
427.26944	2.1
453.28241	1.8
461.29123	1.6
511.32465	1.1
515.33673	4.7
533.34723	100.0
534.35150	4.8
541.34991	4.4
547.36243	17.8
559.36273	69.7
560.36414	3.9
573.37775	1.5
577.36676	1.0
591.38867	30.2
592.39197	2.6
788.48505	3.1
789.38873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00771	0.7
55.01848	1.7
57.03436	1.0
61.02919	1.5
61.73716	0.7
69.03419	2.1
70.58064	1.1
71.04962	0.7
75.54073	0.6
75.94016	0.7
81.03413	1.9
83.04983	0.9
85.02410	1.1
85.02905	14.4
91.05471	1.2
93.03427	1.3
93.60480	0.6
96.36325	0.7
97.02888	3.5
99.04459	0.6
101.05957	0.9
103.05465	2.0
105.03422	1.1
106.66756	0.6
107.04939	1.7
109.02856	1.2
109.06526	1.1
113.06047	0.9
115.03922	0.8
117.03318	0.8
119.04948	1.6
121.06493	1.4
123.04382	1.6
127.03932	5.3
131.04916	4.5
133.02844	1.1
133.06511	1.9
135.04404	1.4
137.05934	1.5
139.03883	7.2
145.04947	6.5
145.06015	0.9
145.06482	0.7
147.04369	6.7
149.05959	3.0
151.03903	1.8
153.01785	1.0
153.05438	4.5
155.03362	1.4
156.04056	0.8
159.04405	6.6
161.05969	2.0
163.03899	18.0
163.06021	3.6
163.07532	2.4
164.04530	0.9
165.05431	1.8
167.03378	2.9
167.06973	0.8
169.04944	5.1
173.05940	2.0
175.03900	2.5
177.05458	26.3
178.02544	0.8
179.03365	2.3
179.07010	2.4
181.04932	2.6
181.08560	1.6
183.06516	2.0
184.03700	2.1
185.04416	5.5
187.05997	1.2
191.07086	3.2
192.04161	1.1
193.04958	46.9
194.05673	0.7
195.06519	16.8
199.06010	9.4
201.05502	0.7
201.09082	1.0
203.03485	0.8
205.04916	1.1
207.06517	16.1
207.10112	1.1
209.08064	17.3
213.07599	2.5
219.06485	1.9
219.10144	2.5
223.06029	1.1
223.09618	4.0
225.07556	33.8
226.07939	1.1
237.07608	6.1
237.11192	7.8
251.09116	5.3
255.08667	7.9
263.05682	1.0
269.10181	100.0
270.10541	1.2
287.05630	1.9
287.11246	48.1
287.14529	2.5
299.05490	1.1
317.06531	0.9
325.11438	1.2
425.08923	1.6
761.20288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.7
55.05513	27.5
56.96581	1.2
57.03435	17.9
57.07069	4.1
59.05003	2.0
61.02920	3.3
65.03953	2.6
67.05504	100.0
69.03435	3.8
69.07066	23.5
71.01350	2.6
71.04993	7.8
71.08618	1.4
73.02920	3.2
79.05494	38.2
79.05956	2.1
81.03416	12.0
81.07055	78.5
82.07411	1.6
83.04976	10.2
83.08617	21.5
85.02900	10.1
85.06532	5.3
87.04459	1.4
91.03963	1.4
91.05481	24.6
93.07043	52.4
95.04983	8.5
95.08609	23.1
95.09216	1.4
97.02895	5.2
97.06525	11.3
97.10172	11.5
99.04498	1.3
99.08087	4.3
105.04523	1.9
105.07034	9.9
107.04943	4.7
107.08592	29.4
109.06533	3.8
109.10155	44.4
109.10896	2.2
111.04427	2.3
111.08080	7.5
111.11719	1.2
115.05404	1.0
117.07040	8.8
119.08575	7.7
121.06515	2.8
121.10146	18.0
121.10986	1.3
123.04527	0.9
123.08089	2.7
123.11742	1.9
125.05986	1.1
125.09634	10.3
129.05507	2.3
129.07010	1.2
131.08563	8.2
133.10143	9.3
135.08095	3.1
135.11676	11.4
136.06168	1.8
137.09621	3.3
139.11183	1.2
143.10617	1.6
145.10106	4.4
147.08067	1.3
147.11688	3.0
149.09679	2.3
149.13257	28.3
151.11183	2.0
153.12721	3.0
155.10683	2.5
159.11678	13.4
163.11162	8.8
165.09071	1.0
168.84888	1.0
173.09639	1.3
173.10225	1.3
173.11726	13.9
177.12730	8.1
181.12273	2.9
184.07349	2.6
191.10715	4.2
193.12302	2.9
195.13832	11.6
199.13326	4.0
209.11720	6.4
213.14857	1.4
223.61633	1.0
225.15102	1.1
227.12788	8.6
229.14349	31.4
253.14474	1.1
265.14374	2.6
267.15918	6.4
269.17468	77.4
270.17789	3.4
283.15399	6.4
293.21060	3.8
301.16452	7.6
301.19916	1.8
344.91064	1.1
393.26627	1.5
399.23782	13.5
411.27414	3.2
423.27390	63.3
424.27795	3.3
459.27454	2.0
461.29056	4.2
463.21976	1.2
477.28442	4.2
478.29269	1.9
479.30075	1.8
495.29395	10.9
513.30487	3.5
517.34692	1.6
535.35718	5.2
543.36853	4.6
549.37579	1.7
561.37610	4.1
575.39197	1.3
593.36865	31.4
594.37213	2.3
790.38873	8.8
791.28259	1.3
791.42273	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	19.1
55.05510	41.4
56.74572	1.6
57.03438	27.0
57.07080	2.2
58.34079	1.4
59.04988	3.4
61.02919	7.8
61.59477	1.7
65.03944	3.9
66.40616	1.9
67.05503	97.9
69.03436	15.1
69.07066	56.9
69.07449	2.6
71.01359	2.7
71.04990	13.5
73.02920	4.5
77.03923	2.5
79.05492	82.1
80.06242	1.7
81.03416	79.9
81.07055	100.0
83.04979	23.3
83.08620	30.8
85.02898	23.1
85.06541	6.6
91.03944	2.1
91.05478	89.6
93.07043	74.8
95.04965	45.5
95.05533	3.3
95.08604	49.2
97.02887	10.4
97.06530	24.6
97.10153	13.6
99.04474	2.8
99.08124	4.3
100.65672	1.9
105.04517	5.8
105.07028	67.0
107.04948	25.1
107.08589	40.0
107.09262	3.2
109.02892	2.4
109.06537	13.2
109.10157	36.2
111.04413	4.3
111.08080	19.1
113.06006	2.4
115.05466	4.8
116.04704	3.8
117.07018	19.6
119.08577	38.1
121.06493	8.9
121.10123	23.1
123.04461	2.1
123.08074	9.9
123.11710	6.6
125.09633	14.7
127.03915	4.7
127.07533	3.4
128.06209	3.5
129.05515	8.4
129.06976	19.6
131.08568	28.9
133.06514	7.8
133.10120	49.3
135.08032	8.7
135.11703	14.6
137.09647	13.8
139.07553	3.8
141.07010	2.8
142.07802	6.1
143.08559	6.7
145.06577	2.2
145.10126	23.5
147.08038	5.6
147.11661	23.2
149.09604	20.3
149.13242	8.4
151.11180	11.8
153.12770	2.4
155.08586	4.5
157.08815	3.4
157.10101	22.5
159.08015	1.7
159.11729	11.8
161.09641	6.8
161.13258	6.5
163.11171	12.8
165.12816	4.2
169.10146	4.7
169.12389	2.6
171.08163	1.8
171.11676	3.7
173.11728	7.4
173.13173	3.9
175.11195	15.5
177.09064	2.0
177.12733	3.6
179.14250	2.8
181.12277	3.7
184.07414	2.5
185.13211	2.5
187.11174	2.1
189.11194	3.8
193.12230	44.3
195.13792	3.6
197.13341	1.7
209.11696	4.4
211.13292	43.0
227.12714	8.1
229.14368	5.3
239.18019	2.8
245.19019	2.2
247.20448	1.7
249.14978	1.9
253.14337	26.8
255.15735	4.2
257.19086	4.7
267.15887	35.6
269.17462	11.8
273.18362	9.3
275.20047	24.4
283.15381	6.5
285.16962	31.7
289.17712	1.9
291.19543	12.8
293.20987	3.2
299.14929	2.4
301.16467	17.5
347.22241	2.8
349.23724	27.3
365.23141	13.2
367.25137	1.9
381.22644	3.0
411.27258	2.2
421.25699	3.3
423.27716	2.7
439.26849	10.7
445.25751	5.3
453.28973	2.6
459.35895	2.0
463.26700	6.3
465.28906	3.3
477.28162	4.1
481.27908	3.0
493.27814	3.2
495.29605	8.1
496.30161	1.6
539.33044	4.1
541.35315	10.9
557.34607	29.4
559.36298	22.8
575.35541	15.5
593.36542	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	790.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.7
55.05259	2.5
55.05512	38.3
57.03434	17.3
57.07075	3.1
59.05001	2.0
61.02917	5.0
62.29656	1.8
65.03943	3.8
67.05502	85.0
69.03421	9.8
69.07063	26.7
69.68807	4.4
69.69189	3.3
71.04996	23.2
71.08633	1.8
73.02901	2.2
77.03925	1.7
79.05492	64.4
81.03416	46.8
81.07053	100.0
83.04975	9.3
83.08618	23.6
85.02899	7.2
85.06528	9.5
91.03985	2.1
91.05479	72.7
93.07045	69.4
95.04969	25.6
95.08604	42.4
95.09212	2.3
97.02892	5.3
97.06532	12.8
97.10165	16.6
98.23439	2.6
99.08115	2.7
105.04507	6.6
105.07029	61.6
106.07365	1.8
107.04961	12.6
107.08594	39.5
108.08980	1.7
109.02883	2.0
109.06530	8.3
109.10153	28.9
111.04440	3.3
111.08087	5.9
115.05414	3.4
117.07012	24.5
119.08575	43.8
121.06504	7.8
121.10147	30.0
123.08065	6.8
123.11682	9.4
125.09624	8.5
128.06250	4.4
129.07007	18.1
130.07808	2.7
131.08559	34.6
133.06502	3.5
133.10124	49.0
134.05824	1.7
135.08052	6.9
135.11665	14.5
137.09584	4.5
139.11227	1.7
141.07008	4.1
142.07762	2.2
143.08562	12.5
145.10124	23.2
147.08086	3.4
147.11688	23.5
149.08591	1.7
149.09616	8.1
149.13280	9.8
151.11169	6.0
155.08563	6.4
157.10117	15.8
159.08087	2.1
159.11682	21.5
161.09576	3.2
161.13249	11.9
163.11188	9.8
167.08614	2.6
169.10121	7.1
169.12282	1.9
171.08061	1.9
171.11679	11.2
173.09682	3.3
173.11858	3.1
173.13274	9.3
174.00934	1.4
175.11179	6.2
175.14825	2.7
177.12811	4.2
181.10138	4.9
183.11690	7.2
183.13777	2.3
185.13280	7.2
187.13252	2.7
187.14807	2.8
189.11259	4.7
189.12759	2.1
191.10674	1.9
193.10498	1.5
193.12175	8.9
195.11700	3.7
195.13802	4.1
197.13185	5.5
199.14822	4.4
201.12740	1.7
203.14368	2.6
209.13327	4.3
211.14915	1.8
213.16475	1.9
223.14934	2.0
227.12756	10.8
229.14282	10.1
231.21034	1.7
241.19505	4.4
243.15889	3.5
253.14308	2.6
257.19257	2.7
259.20572	10.6
267.15872	14.3
269.17453	9.3
270.63818	1.6
275.20032	15.1
283.15326	4.6
283.20642	2.6
285.16776	1.9
291.19479	5.5
293.21121	4.2
299.23642	5.9
301.16660	2.1
301.19803	10.8
313.21613	1.8
331.22632	2.4
333.24377	9.0
349.23779	10.0
365.23264	2.0
367.24820	2.9
421.25742	4.9
423.27426	3.6
433.31262	8.4
435.27319	2.9
437.29010	8.8
445.29425	3.2
449.28827	8.2
451.32153	8.5
458.87503	1.8
461.29037	2.0
463.30664	8.0
469.33041	5.7
477.27856	2.5
495.33710	13.7
499.33734	4.6
503.33795	8.0
507.34537	3.0
515.37225	2.5
517.35089	17.7
525.35791	43.3
526.36212	2.7
543.36841	88.3
544.37091	3.8
557.38379	11.4
561.37335	2.6
575.39801	22.1
593.37286	3.1
790.38879	3.7
791.41376	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	790.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.9
55.05514	18.6
57.03445	9.1
57.07065	2.1
57.93059	1.1
61.02926	2.8
65.03925	2.2
67.05506	68.2
68.39471	1.2
69.03436	4.7
69.07070	23.1
71.04636	1.9
71.04995	28.1
71.08617	1.4
73.02915	1.9
77.03870	2.0
79.05044	2.7
79.05495	44.3
79.57477	1.1
80.05836	1.4
81.03413	18.0
81.07057	100.0
82.03768	2.0
82.07397	1.7
83.04981	10.8
83.08624	14.0
85.02896	4.6
85.06551	9.4
91.05482	45.3
92.05799	2.5
93.07047	39.8
94.07333	1.4
95.04979	10.5
95.08609	26.4
97.02891	4.5
97.06525	13.8
97.10165	6.4
98.23532	2.5
99.08105	2.8
105.04514	1.7
105.07032	27.5
106.07367	2.3
107.04951	7.1
107.08588	27.1
109.02876	1.4
109.06544	8.1
109.10157	14.1
111.08079	6.6
113.09653	2.1
117.07033	12.9
119.08583	20.1
121.06500	4.1
121.10164	14.1
123.08034	3.1
123.11699	13.0
125.09612	3.9
127.03938	1.8
128.06181	1.6
129.05457	2.3
129.07033	4.7
131.08562	17.8
133.06433	1.2
133.10130	27.7
135.08025	2.5
135.11667	11.6
137.09642	1.8
143.08556	3.0
145.10126	9.4
147.08066	2.8
147.11688	9.0
149.09641	7.8
149.13272	11.7
151.11177	9.8
157.10147	3.9
159.11708	12.9
161.13260	3.3
163.11142	4.3
166.75826	1.3
171.11720	2.9
173.04431	1.8
173.13272	2.4
175.11133	3.6
177.12784	3.9
183.13795	2.5
185.13310	1.8
187.11182	1.4
187.13290	4.0
193.12202	2.5
195.13802	4.4
199.48790	1.2
227.12776	5.4
229.14134	1.2
229.35423	1.3
243.15939	3.9
253.14331	2.4
255.15875	1.6
257.19275	2.5
267.15921	11.4
268.16208	4.8
269.17447	13.5
275.20053	17.4
276.20367	3.3
293.21036	5.2
301.16687	1.9
301.19998	19.0
319.45413	1.3
347.23132	1.4
349.23801	14.6
367.24750	3.5
391.29062	1.5
423.27344	7.4
437.28937	19.6
445.29419	2.7
449.28922	18.2
451.30637	5.8
463.30496	18.4
481.31699	5.1
495.33258	37.8
496.33121	2.3
499.34439	3.0
517.35303	27.7
525.35425	1.9
531.36615	3.3
535.36395	2.0
541.28119	1.5
541.35046	6.0
542.35797	6.7
543.36292	35.0
561.37793	4.1
575.39569	14.8
581.33386	2.1
593.38214	4.0
607.35345	3.0
639.36493	1.4
661.54962	1.4
669.17712	1.4
690.43817	1.3
706.62720	1.3
790.39435	2.8
791.39661	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05261	2.3
55.05511	32.0
56.81453	1.5
57.03440	18.1
57.07069	3.6
59.05002	31.7
61.02920	1.6
63.32601	1.3
65.03937	3.3
67.05504	100.0
69.03419	5.6
69.06700	1.8
69.07067	16.1
69.31573	6.3
69.31989	2.4
71.05003	10.2
79.05491	43.3
81.03429	11.7
81.07055	56.8
82.07359	1.5
83.04973	5.9
83.08618	18.5
85.02896	7.1
85.06553	3.4
86.09710	2.5
87.04466	48.3
89.06033	6.3
91.05476	24.7
93.07043	38.9
95.04959	8.2
95.08599	39.4
97.02889	5.1
97.06533	3.9
97.10164	17.9
99.04445	16.9
99.08058	2.4
103.05416	1.5
105.04522	2.2
105.07026	16.0
107.04964	2.8
107.08595	25.1
109.06506	1.7
109.10158	50.6
111.04429	2.9
111.08096	3.5
115.03982	1.7
117.07025	2.9
119.08588	13.3
121.10157	17.0
123.11679	3.0
124.99984	2.1
125.09620	12.7
129.07025	2.5
131.08565	10.4
133.08614	2.1
133.10120	7.1
135.11681	10.9
137.09679	2.8
143.08472	2.0
143.10661	1.9
145.10123	7.6
147.11670	5.9
149.09605	3.1
149.13274	5.5
155.10686	3.1
157.10141	1.5
159.11691	6.4
161.13258	4.2
163.11241	3.5
165.12782	1.7
173.09412	1.5
173.11749	14.8
173.13263	4.4
175.14621	1.5
183.11766	1.6
184.07304	8.5
187.14751	1.7
188.34062	1.9
189.11192	1.6
191.10674	1.9
193.12334	3.0
199.13255	9.7
209.12022	1.8
217.02156	1.7
227.12767	5.1
229.14323	34.6
241.14383	5.1
243.21164	3.9
259.20361	1.6
261.22110	14.2
267.15866	10.4
315.17984	6.1
317.24802	2.3
335.25790	56.2
336.26007	3.2
363.25269	2.7
462.99445	1.7
477.29623	1.8
477.35703	12.8
489.35727	39.2
490.36050	1.9
493.08957	1.7
529.38751	2.1
543.36896	1.9
575.38940	3.3
593.39136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.2
55.05255	2.5
55.05512	33.8
57.03442	19.6
57.07073	2.5
59.05005	36.8
59.79263	1.1
61.02925	2.1
65.03946	2.8
67.05505	100.0
69.03439	3.2
69.07072	15.1
71.04993	12.6
71.42977	1.3
73.02916	1.9
79.05494	39.0
79.05952	2.3
81.03425	16.1
81.07059	56.2
83.04984	5.3
83.08620	18.3
85.02892	6.9
85.06551	4.1
86.09702	2.4
87.04468	53.9
89.06020	1.7
91.05479	20.1
93.07048	38.3
95.04970	9.1
95.08609	38.4
97.02899	3.7
97.06544	3.8
97.10173	17.2
99.04468	13.9
99.08090	1.2
103.03940	1.2
103.05495	1.5
105.04546	2.3
105.07041	16.5
107.04962	2.8
107.08584	22.7
109.06522	4.1
109.10157	54.1
111.04463	1.6
111.08110	6.8
113.06010	1.7
117.06989	5.8
119.08598	16.3
121.06496	1.3
121.10132	19.0
123.08075	2.6
123.11723	5.5
125.00069	1.2
125.09631	12.2
129.07018	3.0
131.08572	11.7
133.10158	10.7
135.08047	1.3
135.11676	11.5
137.09630	3.0
137.13234	1.9
143.08585	1.8
143.10675	1.9
144.89270	1.2
145.10135	9.0
147.11679	7.0
149.09605	2.6
149.13277	4.8
153.12790	2.1
154.34831	1.3
155.10724	2.9
157.10170	3.4
159.11743	4.7
161.13269	4.9
163.11246	4.7
163.14871	1.7
173.09589	1.7
173.10204	1.2
173.11757	15.4
173.13275	3.5
175.11211	2.3
175.14821	3.2
184.07373	6.1
185.13208	1.9
187.14879	2.2
189.11295	1.4
193.12320	5.4
199.13326	8.2
203.40248	1.1
217.14369	1.4
227.12831	4.6
229.14359	39.3
241.14441	4.1
243.21039	2.0
249.14879	1.5
257.13968	1.5
261.22098	11.8
267.15891	18.8
277.21759	1.7
289.21637	2.1
291.74786	1.4
315.17944	7.4
315.23410	1.4
317.24664	2.2
333.19070	2.3
333.24020	1.1
335.25793	51.9
337.27454	13.2
341.90820	1.3
363.25266	5.3
477.35675	18.0
489.35764	43.3
490.36078	2.2
517.35107	2.8
529.38989	10.9
543.36200	3.0
547.39996	6.0
561.37677	2.5
575.38873	3.4
593.40082	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	790.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.9
55.05511	45.7
55.35556	1.4
57.03437	22.4
57.07067	3.8
59.05001	24.9
61.02921	4.2
65.03925	4.7
65.09165	1.2
67.05505	100.0
69.03425	4.5
69.07069	24.0
71.04684	1.6
71.04997	16.7
71.08624	1.9
71.44367	2.1
73.02937	1.5
79.05495	50.6
81.03418	28.3
81.07056	74.6
83.04990	8.7
83.08125	2.2
83.08616	29.8
85.02905	8.8
85.06553	3.5
86.09695	2.2
87.04468	41.2
91.05479	30.5
93.07044	45.9
95.04966	15.6
95.08604	50.1
97.02892	6.2
97.06532	7.2
97.10165	26.2
98.27058	1.5
99.04449	23.7
99.08079	2.5
101.76199	1.4
105.04512	1.7
105.07028	19.3
107.04961	4.7
107.08594	30.4
109.06535	2.5
109.10152	46.3
111.04457	4.4
111.08070	6.9
113.09690	1.6
115.03941	2.6
117.07008	7.4
119.08576	16.9
121.06535	3.6
121.10141	20.1
123.08038	2.8
123.11691	5.4
124.99990	2.1
125.09631	19.6
129.06961	5.8
131.08553	11.3
133.10129	10.8
133.45695	1.7
135.11694	12.1
137.09581	3.0
143.08553	1.6
145.10115	10.4
147.08060	2.6
147.11679	10.1
149.09610	3.8
149.13252	6.3
155.08429	1.6
155.10631	1.7
157.10159	4.2
159.11681	6.0
161.13243	6.5
163.11229	7.6
163.14809	2.3
165.04648	1.5
165.12732	1.8
169.10155	2.0
171.11729	1.9
173.09586	2.6
173.10428	1.5
173.11746	13.2
173.13248	4.0
175.11153	1.9
175.14772	2.3
184.07297	6.8
187.14717	3.2
189.11215	2.9
191.10632	4.1
193.12263	10.6
199.13251	14.9
199.14850	2.0
209.11697	3.7
223.13329	2.5
225.14894	1.6
227.12769	12.0
229.14343	33.7
241.14319	7.8
243.20963	3.8
259.20642	1.9
261.22186	9.4
263.23798	3.7
267.15897	41.6
283.15268	1.9
289.21432	2.1
315.18030	11.9
317.24304	1.6
327.23001	1.8
331.17407	2.9
333.19040	2.0
335.21634	3.1
335.25778	56.9
336.26151	2.3
337.27377	36.4
363.25226	4.7
455.35352	2.8
459.34549	1.8
477.35721	25.8
489.35797	32.7
489.42477	1.3
529.38806	31.3
543.36676	5.6
547.39954	19.7
561.37592	4.3
571.39954	2.3
575.39075	6.1
587.98883	1.6
593.40192	6.2
611.45557	1.9
791.43805	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	791.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
65.03940	1.9
67.05500	0.9
68.99787	5.8
69.68452	0.6
69.68832	0.6
78.68955	0.3
79.05506	0.3
81.03415	2.2
82.04211	0.5
83.05016	0.5
85.02915	0.4
91.05473	0.5
93.03385	0.6
95.04973	1.2
99.04455	0.6
105.03390	0.9
109.02883	3.3
110.03660	0.5
111.00800	6.6
111.01512	0.5
111.04462	1.6
119.04948	0.4
121.02864	1.6
123.04429	9.2
125.05974	0.9
127.03911	57.4
131.04944	0.5
133.02827	2.1
133.06436	0.4
135.04390	1.2
137.02293	0.6
138.03101	1.4
139.03896	100.0
140.04230	1.2
141.06961	0.4
145.02831	0.3
145.06488	0.8
147.04390	4.6
149.02362	1.3
149.06032	1.0
151.03900	30.0
152.04341	0.4
153.01872	0.8
153.05502	0.5
155.03395	2.6
155.04675	0.5
157.06477	0.6
159.04373	1.0
161.06004	1.6
163.03897	7.4
165.05478	1.3
167.03400	3.0
169.06500	0.6
171.04404	1.5
171.06557	2.3
173.05998	0.6
175.03908	9.2
177.01875	0.3
177.05472	3.8
179.03384	27.1
180.03683	0.6
181.04948	23.4
182.05257	0.4
183.04350	1.0
185.05975	1.2
187.03893	1.0
189.05460	2.6
191.03389	6.4
193.04956	2.4
193.21101	0.3
197.05954	0.9
199.03889	2.4
201.05400	3.3
202.05592	0.3
203.03386	13.0
204.03589	0.3
205.04996	3.7
211.03854	0.4
213.05432	4.1
215.03383	0.9
215.07042	0.6
217.04918	3.8
219.06552	0.9
221.04237	0.5
223.02347	1.4
225.05403	1.0
227.03372	1.0
229.04953	3.4
231.06569	2.2
233.04466	2.8
241.05005	1.9
243.06528	0.8
245.04436	10.0
246.04851	0.5
247.05939	0.6
251.05455	0.5
253.04910	1.2
257.04428	7.0
258.04871	0.3
259.05966	2.5
263.05499	20.3
264.05948	0.5
269.04440	3.9
271.05969	3.3
275.05450	8.2
277.07190	1.5
281.04422	0.6
287.05490	31.3
288.05762	1.0
289.07056	11.0
295.06079	0.8
297.07581	0.5
299.05484	19.2
300.05850	0.5
301.07028	0.9
305.03342	0.5
305.06555	8.6
311.05341	0.7
313.06964	0.5
317.06540	19.2
323.05499	1.0
329.06238	0.3
331.07822	0.4
333.07315	0.4
389.06009	0.7
403.08591	0.3
407.02325	0.4
407.07599	6.6
425.08646	23.1
426.08868	0.9
437.08838	1.5
443.09668	4.4
449.08398	0.9
467.09338	1.2
487.12537	0.7
575.11658	0.5
575.73499	0.3
593.11786	0.5
623.13861	1.9
712.84271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
65.03934	2.4
67.01859	0.6
67.05506	1.0
68.99784	7.5
69.00159	0.5
69.21026	1.4
70.89307	0.3
75.58192	0.3
77.03926	0.3
79.05486	0.7
81.03413	2.1
81.07053	0.3
82.04189	0.6
83.04982	0.5
85.02894	1.1
89.03932	0.2
91.05493	0.5
93.03416	0.7
95.04982	1.4
97.02899	0.4
97.06528	0.6
99.04439	0.6
105.03397	0.8
105.07046	0.2
107.04971	0.5
109.02882	3.7
110.03669	0.5
111.00800	6.5
111.04456	1.8
113.04350	0.3
115.05459	0.5
119.04944	0.6
121.02876	2.2
123.04427	9.3
124.81171	0.3
124.94636	0.3
125.02387	0.3
125.05987	0.4
127.03912	57.7
128.04221	0.5
131.04875	0.6
133.02832	2.0
135.04417	1.0
137.02348	0.6
137.05974	0.5
138.03114	0.5
139.03896	100.0
140.04202	1.4
141.06963	0.4
143.04967	0.4
145.02841	0.4
145.06520	0.5
147.03308	0.3
147.04413	4.1
149.02335	2.0
149.05977	1.0
150.03174	0.4
151.03900	30.7
152.04330	0.4
153.01813	1.0
153.05438	1.5
155.03400	3.8
155.04726	0.5
157.06514	0.7
159.04419	0.8
161.02324	0.7
161.05952	1.6
163.03909	7.1
165.05498	1.7
167.03415	2.9
169.06480	0.4
171.04395	1.4
171.06555	1.1
173.05969	0.9
175.03909	8.8
177.01839	0.3
177.05481	3.4
179.03386	29.7
180.03748	0.6
181.04951	26.1
182.05296	0.6
183.04361	0.9
185.05968	1.0
187.03903	1.0
187.07600	0.4
189.05423	2.9
191.03374	5.3
193.04968	2.9
197.05989	1.3
199.03926	2.4
201.05447	3.9
203.03389	14.3
204.03754	0.5
205.04967	4.3
211.03978	0.5
213.05463	3.9
215.03397	1.0
215.06865	0.3
217.04951	3.6
219.06506	1.0
221.04420	0.5
223.02281	1.5
225.05431	1.1
227.03421	1.3
229.04938	3.4
230.05473	0.4
231.02838	0.4
231.06537	2.5
233.04472	2.9
235.06004	0.4
241.04919	2.3
243.06526	0.7
245.01920	0.6
245.04446	11.5
246.04779	0.3
247.06032	0.9
251.05441	0.6
253.04910	1.2
257.01917	0.6
257.04449	7.8
258.05042	0.4
259.06015	1.9
263.05505	18.9
264.05875	0.5
269.04431	4.2
271.06018	3.4
273.03906	0.5
275.05499	8.6
277.07126	1.6
281.04391	1.1
287.05487	33.7
288.05795	1.1
289.03955	0.6
289.07053	9.5
295.05954	0.5
297.07678	0.5
299.05499	19.5
300.05878	0.4
301.06702	0.5
305.03345	0.5
305.06567	9.1
311.05426	1.1
317.06537	18.5
318.06860	0.4
323.05542	1.8
333.07556	0.5
361.07153	0.5
365.06625	0.4
389.06631	0.6
407.07458	6.8
407.13019	4.1
425.08655	24.0
426.08865	1.0
429.14383	0.3
437.08530	0.9
443.09827	4.4
449.08429	1.0
467.09567	0.9
487.12225	0.7
593.12708	0.6
605.12750	0.4
623.13708	2.0
823.82361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
55.05514	2.1
57.03437	1.2
58.54377	0.5
62.16145	0.5
66.58339	0.4
67.05502	6.0
68.05863	0.5
69.03432	0.4
69.07066	1.9
71.05005	1.6
71.44211	0.4
79.05490	3.5
80.05820	0.5
81.03436	1.5
81.07056	7.0
82.07380	1.0
83.04991	1.0
83.08626	1.4
85.02931	0.6
85.06529	0.6
91.05490	3.4
93.07043	3.3
95.04950	1.0
95.08610	1.8
97.02895	0.5
97.06554	0.9
97.10165	0.5
105.07021	2.3
107.05008	0.6
107.08614	2.0
109.06548	1.4
109.10183	1.6
110.10492	0.6
111.08102	0.6
117.07008	0.7
119.08602	1.8
121.10170	1.2
123.08028	0.5
123.11698	0.7
125.09634	0.5
131.08600	1.2
133.10138	2.9
134.10486	0.8
135.08044	0.5
143.08673	0.5
145.10150	0.8
147.11696	1.0
149.13243	0.9
151.11186	0.6
157.10075	0.6
159.11714	1.0
163.11174	0.8
184.07375	0.6
209.01514	0.4
267.15912	0.8
268.16434	0.6
269.17581	1.5
270.17813	0.6
275.20114	1.4
276.20453	0.9
285.17230	0.5
301.20175	1.0
368.25232	0.6
461.00079	0.5
481.18494	0.8
495.33621	0.7
517.35437	0.8
518.35706	1.4
543.36938	1.3
544.37372	1.7
545.38123	0.6
561.37903	0.6
562.38348	1.6
567.25879	0.6
576.39606	0.9
594.39148	0.6
791.39752	100.0
792.40265	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	792.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
55.05507	31.4
57.03434	21.6
61.02903	4.4
67.05508	100.0
69.07069	26.1
71.04990	11.1
79.05491	51.6
81.03421	81.2
81.07057	80.0
83.04980	27.3
83.08628	42.0
85.02896	28.7
85.06527	7.7
91.03915	4.4
91.05481	62.0
93.07048	46.4
95.04966	40.2
95.08614	36.0
97.02879	6.8
97.06536	11.4
97.10184	13.0
99.08067	3.9
105.04493	5.6
105.07034	41.8
107.04960	11.2
107.08601	33.5
109.06524	16.1
109.10158	45.5
111.04449	4.4
111.08063	16.8
115.05418	4.2
117.06987	8.8
119.08578	35.6
121.10108	21.5
123.08058	5.6
123.11658	5.0
125.09637	8.0
129.07016	11.7
131.08565	28.4
133.06483	5.1
133.10152	35.5
135.08066	3.3
135.11688	8.4
137.09598	3.9
145.10126	15.1
147.08003	6.3
147.11662	23.8
149.09621	12.6
149.13246	7.7
157.10144	15.9
159.11673	8.4
163.11235	6.1
165.12729	3.9
173.11726	9.3
173.13170	4.8
175.11206	20.6
184.07375	5.4
193.12216	49.9
197.32025	3.3
202.00920	3.9
211.13321	47.5
227.12819	8.5
229.14363	28.4
267.15927	45.3
269.17535	20.4
275.20004	34.1
285.16986	67.1
293.20868	5.9
349.23788	27.0
367.24667	10.0
386.29251	4.4
421.25748	15.2
423.65826	4.2
439.26895	79.5
440.26868	4.8
461.28583	23.0
479.23648	6.2
479.30051	74.0
491.87875	3.7
541.35126	30.1
559.36298	57.0
577.37097	21.7
583.30573	4.6
585.29126	4.2
689.31494	16.5
792.38000	7.9
793.37714	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	792.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.1
55.05510	23.1
57.03438	14.5
57.07044	1.8
65.03944	2.8
67.05502	54.6
69.03427	6.5
69.07068	23.6
70.86073	1.3
71.01344	1.7
71.04975	4.7
79.05042	2.6
79.05489	44.2
80.29311	1.1
81.03413	73.6
81.07056	57.4
82.03734	1.6
83.04977	13.6
83.08616	26.9
84.30770	1.4
85.02894	7.1
85.06541	3.4
89.35000	1.1
90.18705	1.2
90.89212	1.3
91.05482	43.7
93.07043	46.8
95.04969	34.0
95.08601	24.3
97.02892	3.9
97.06542	11.3
97.10157	12.2
99.04427	2.7
99.08083	2.5
103.31745	1.4
105.04520	2.0
105.07028	35.4
107.04954	11.6
107.08600	26.4
109.02876	3.2
109.06501	8.4
109.10139	13.1
111.04414	2.2
111.08071	9.6
115.05447	3.2
117.07027	15.3
119.08577	28.7
121.06496	7.8
121.10136	19.5
123.08051	5.5
123.11678	2.8
125.09643	10.5
127.03906	2.1
129.07022	12.9
131.04959	2.0
131.07658	2.1
131.08560	22.6
133.06509	5.2
133.10132	22.3
135.08052	6.8
135.11659	12.1
137.09601	4.7
139.11139	2.9
141.07007	3.2
142.07809	3.7
143.08548	6.2
145.06511	2.5
145.10121	11.3
147.08076	6.6
147.09019	1.3
147.11678	15.3
149.09607	11.7
149.13248	7.6
153.09154	1.7
155.08502	2.2
157.10124	12.8
159.08081	2.4
159.11685	11.9
161.09541	3.2
161.13295	1.8
163.11154	6.1
169.10124	5.2
171.11687	4.6
173.09669	2.3
173.13229	3.2
175.11192	11.4
177.12744	3.4
181.12283	2.5
183.11696	3.7
184.07352	2.7
185.13145	1.6
187.11128	1.7
189.11198	4.4
189.12755	2.5
193.12228	18.4
195.13831	3.0
195.44887	1.3
197.13132	2.0
199.14790	1.9
201.12445	1.4
211.13176	3.1
215.14299	1.5
217.15860	5.4
227.12720	11.2
229.14304	1.7
231.13737	1.6
249.14882	2.1
255.15869	9.4
257.19009	2.5
267.15909	70.8
269.17474	24.1
271.84714	1.5
273.14752	1.8
273.18536	2.6
275.20084	16.7
285.16998	5.1
293.20981	2.7
349.23703	13.5
367.24631	5.3
369.24078	3.8
375.17957	2.3
387.25241	3.1
421.25723	2.9
435.27362	2.9
443.28040	8.7
447.27402	21.3
449.30530	2.5
461.28958	100.0
462.29300	5.5
465.28064	1.7
467.31442	2.2
479.29810	15.4
489.28906	1.4
501.32217	2.9
508.10254	1.5
541.35248	34.8
542.35278	1.8
559.36316	22.1
567.32251	1.4
577.36938	5.5
587.32050	2.3
605.33209	1.6
793.39410	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	792.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05509	22.5
56.96554	1.0
57.03440	12.6
57.07076	2.9
60.09945	1.2
61.02927	4.4
65.03938	3.4
67.05501	76.4
68.05816	1.6
69.03428	15.5
69.07066	15.4
71.04988	32.8
71.08629	14.9
73.02918	3.9
73.06567	1.2
79.05490	39.1
79.05955	2.2
80.05804	1.1
81.03417	13.3
81.07051	100.0
82.07386	1.6
83.04974	12.1
83.08620	15.5
85.02898	7.2
85.06539	8.7
91.03964	1.2
91.05476	38.3
91.06050	1.9
92.05799	1.1
93.07040	47.4
94.07372	1.4
95.04967	12.4
95.08595	28.3
97.02874	5.8
97.06528	8.1
97.10175	4.7
98.23460	2.3
99.04448	2.7
99.08085	11.4
105.04520	2.5
105.07024	23.2
105.64759	1.0
107.04963	3.6
107.08584	28.3
108.08920	1.2
109.02900	1.8
109.06538	3.7
109.10159	14.3
111.04426	2.1
111.08058	5.1
111.69598	1.0
113.09641	1.4
117.07008	9.4
119.08550	9.3
121.06513	3.7
121.10133	16.9
122.10447	1.2
123.08049	2.0
123.11688	14.3
125.00082	1.0
125.09638	4.8
127.03922	4.0
129.05502	2.5
129.07010	2.9
130.44637	1.2
131.00157	2.1
131.08559	12.3
133.06461	2.2
133.10115	28.6
135.08089	2.5
135.11691	11.6
136.07004	1.1
136.18402	1.4
137.09599	2.3
139.11165	1.6
143.08554	2.1
145.04904	1.4
145.10144	4.4
145.97725	1.2
147.03073	2.3
147.11697	6.7
149.01239	4.5
149.09592	2.4
149.13249	13.4
151.11179	18.8
153.09163	1.2
153.72830	1.0
155.07098	1.6
156.03577	6.4
157.10115	4.0
158.99646	1.2
159.11685	7.9
161.13281	3.7
163.11186	6.6
165.12697	1.8
167.54364	1.6
171.11708	1.7
173.04456	2.6
173.13231	1.4
175.14842	2.1
177.12785	4.6
179.14314	5.6
180.14651	2.0
183.13815	3.8
185.13272	1.5
187.13292	4.5
193.12228	1.6
195.13762	6.3
201.14775	1.6
213.14784	2.0
225.14789	1.6
227.12772	5.5
229.14359	2.6
233.15327	1.1
241.19482	1.1
243.15935	3.1
251.16577	1.6
253.17964	1.6
257.17535	2.8
259.20810	2.4
267.15955	4.4
268.16235	1.8
269.17523	14.4
277.13876	3.0
277.21613	8.4
277.63861	2.4
278.22031	1.7
301.20038	20.2
334.17068	1.7
351.25317	12.3
352.25742	1.7
353.25845	2.0
403.28348	1.5
423.27487	1.3
427.27023	1.8
435.31543	1.4
437.28928	23.6
445.29276	2.6
451.30331	8.9
463.24432	1.6
463.30450	21.9
466.21118	1.5
493.04483	1.3
495.33188	53.1
496.33588	1.5
501.35596	2.2
519.36798	29.8
520.37396	1.8
527.37622	1.7
533.38153	3.8
534.29535	9.3
534.79633	20.4
535.29633	6.4
539.28290	1.2
543.36890	3.9
544.37061	5.5
545.38031	24.4
552.24359	1.2
577.41052	14.2
581.32684	2.9
607.34851	5.0
639.37103	2.2
692.19092	1.3
706.35321	2.0
792.40674	23.9
793.43176	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	792.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.5
57.03429	13.9
57.07067	2.6
57.94219	1.8
61.02919	2.4
67.05503	80.4
69.07076	20.6
71.04995	3.4
79.05493	47.7
79.05946	3.2
81.07056	79.4
83.04946	1.7
83.08632	10.0
85.02905	4.3
85.06530	3.1
91.03955	2.6
91.05481	30.4
91.06000	3.3
93.06450	3.0
93.07042	64.0
95.04971	7.1
95.08603	64.2
97.02891	3.4
97.06516	3.4
97.10172	4.7
105.04513	2.3
105.07034	24.2
107.08589	32.0
109.10150	29.1
111.08057	3.0
117.07028	11.7
119.08580	21.3
121.10157	29.0
123.08096	2.3
123.11732	11.5
126.48911	2.1
127.98515	2.2
129.07025	3.2
131.08588	17.1
133.10135	17.5
135.11674	17.2
143.08505	3.5
145.10153	12.5
147.11690	12.8
149.09592	2.3
149.13271	13.6
157.10149	2.6
159.11688	9.8
161.13260	9.4
163.14828	3.2
171.11720	2.9
173.13298	11.1
175.14830	4.4
185.13216	4.4
187.14824	5.4
219.11107	2.1
241.19485	3.7
242.52847	2.0
243.21068	4.0
252.03932	2.0
259.20587	6.9
261.22137	22.1
317.24704	5.9
333.24200	6.9
335.25772	100.0
336.26157	3.2
337.27353	8.4
449.23526	2.3
521.43201	2.9
595.47229	15.1
613.48260	11.5
792.52106	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.2
55.35580	0.7
56.89735	0.8
57.03409	1.7
61.02902	2.0
64.61259	0.7
65.33782	0.7
67.05504	6.7
69.03416	0.9
69.07061	0.9
71.04989	1.0
73.02906	0.8
79.05462	2.1
81.03390	3.0
81.07031	2.7
83.04957	1.0
83.08593	1.4
85.02895	1.8
86.80144	0.7
91.03929	1.7
91.05460	1.7
93.07030	1.4
95.08585	1.6
97.02871	1.5
105.07006	1.2
107.04961	0.9
107.08591	0.9
107.88624	0.7
109.10155	5.1
119.08569	1.5
127.04002	0.7
133.26534	0.7
133.71692	0.6
142.44092	0.7
149.01187	0.6
173.11729	1.9
193.12218	0.7
205.15755	0.7
206.28745	0.7
229.14232	1.4
239.09619	1.3
243.08493	1.0
267.08966	3.9
267.15945	1.0
275.19788	0.9
283.08450	1.7
285.10162	3.2
301.09341	0.8
309.09875	0.7
413.17715	7.9
440.27429	1.2
462.29593	0.9
485.17136	1.2
560.36713	0.7
585.28784	23.4
586.29205	0.8
611.30493	4.7
689.31427	100.0
690.31757	5.2
693.27716	2.3
793.36450	25.5
794.36298	1.9
799.30377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04185	0.8
63.94452	0.8
65.04787	0.8
67.05512	1.1
72.07504	0.9
81.07071	1.0
93.07033	1.3
100.18769	0.9
120.05656	0.8
131.00093	0.8
239.09622	1.7
267.09070	3.9
280.32584	0.8
283.08542	1.7
284.07944	0.9
285.10034	3.9
293.05133	1.2
301.09579	1.3
325.09641	1.0
439.94846	0.9
485.16672	1.6
501.16217	2.4
611.30054	2.3
689.31403	100.0
690.31897	6.1
693.27563	2.5
793.36365	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	793.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
57.95552	0.5
59.05000	0.6
61.02925	5.1
67.05504	11.7
68.05809	0.5
69.03419	2.5
69.07069	0.8
69.72279	1.6
71.05004	0.6
73.02911	3.6
75.16433	0.5
76.46487	0.5
79.05496	1.7
79.66910	0.5
81.03395	3.4
81.07057	5.1
83.05001	1.1
83.08631	1.2
85.02909	4.2
87.58057	0.6
91.03947	3.9
91.05495	2.1
93.07048	2.4
95.04959	1.0
95.08624	1.9
97.02890	5.2
99.04475	0.8
101.02399	2.1
105.07040	1.4
107.08556	1.2
109.02880	0.8
109.10148	13.1
111.04474	0.6
111.08071	1.1
119.08620	1.1
121.10223	0.7
127.03917	1.9
137.09622	1.4
145.04955	0.8
147.11684	1.0
155.10704	1.2
163.11203	0.7
173.11726	5.4
184.07309	0.6
185.04303	0.6
193.12355	0.7
195.10001	2.1
211.13402	0.9
229.14365	3.4
243.08345	2.9
251.12570	1.0
267.15939	0.7
269.17468	0.6
285.17221	0.8
301.08893	1.1
370.59119	0.5
413.17786	30.7
423.23462	0.9
469.20425	0.6
479.30099	1.7
480.30334	1.8
499.21954	0.8
560.36487	1.1
578.37366	0.7
585.28784	100.0
586.29022	5.3
643.32892	1.2
671.32806	1.2
689.33447	29.0
690.34027	1.1
743.43292	0.5
793.38910	13.3
794.39026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.04998	0.3
61.02925	3.6
62.63175	0.3
67.05505	3.5
69.03430	2.5
69.07063	2.7
71.05004	1.4
73.02916	2.7
79.05496	2.7
81.03418	3.2
81.03771	0.3
81.07066	3.7
83.04979	0.5
83.08632	1.0
85.02898	3.6
85.06548	0.5
87.04485	0.6
91.03956	1.8
91.05476	3.7
93.07045	2.6
95.04987	1.2
95.08608	2.1
97.02892	3.3
97.06538	1.2
99.04474	0.9
101.02405	1.4
105.07019	3.6
107.04952	1.0
107.08613	1.4
109.02907	0.5
109.06529	0.7
109.10203	0.8
111.08103	0.5
117.07050	0.5
119.08575	2.5
121.06628	0.4
121.10158	1.8
123.04430	0.3
123.08074	0.4
123.11729	0.5
127.03932	1.0
129.07034	1.1
131.08565	1.6
133.10156	1.9
135.11717	0.5
145.10129	0.5
147.11726	1.4
149.09592	1.6
157.10144	0.6
159.11732	0.5
163.11229	0.6
171.16057	0.3
175.11235	0.8
175.14853	0.3
179.14334	0.8
185.04352	0.6
193.12270	1.3
203.05382	0.4
213.19748	0.3
219.45448	0.4
225.14957	0.6
243.08405	2.8
253.14128	0.5
254.37524	0.4
267.15985	0.8
275.20248	0.6
283.15164	2.5
301.08948	0.5
315.19275	3.1
339.17648	0.4
355.02905	0.4
371.21927	1.4
438.29825	0.3
469.20706	0.6
501.23062	10.7
533.27240	10.0
534.27930	0.6
539.21527	0.4
593.98181	0.3
629.17395	0.3
631.38232	0.4
793.43359	100.0
794.43677	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	793.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.04997	0.3
61.02922	3.6
62.58632	0.3
67.05501	4.3
69.03423	2.9
69.07072	0.9
69.18544	0.9
69.18948	0.7
71.04993	3.3
73.02921	2.4
79.05481	2.4
81.03421	1.4
81.07057	5.1
81.07507	0.4
82.56731	0.3
83.04980	0.5
83.08626	0.9
85.02898	3.4
85.06554	0.7
87.04478	0.5
91.03957	2.4
91.05481	4.0
93.07045	3.1
95.04990	0.7
95.08635	1.0
97.02892	3.1
97.06538	0.8
98.22715	0.6
99.04446	0.7
101.02371	1.8
103.03967	0.5
105.07030	2.5
107.04967	0.5
107.08588	2.1
107.41948	0.3
109.02892	0.7
109.06594	0.3
109.10158	1.5
111.04443	0.3
111.08096	0.4
117.07049	0.9
119.08612	0.4
121.06474	0.4
121.10174	0.8
123.08056	0.5
123.11732	1.2
125.09613	0.3
127.03924	1.2
131.08571	0.4
133.10139	3.8
135.08069	0.3
135.11719	0.4
145.10185	0.4
149.13322	0.5
151.11194	1.6
159.11751	0.7
161.09665	0.3
183.13811	0.6
185.04251	0.5
203.05367	0.4
223.10797	0.3
241.06825	0.4
243.08444	3.0
257.17575	0.5
267.15634	1.4
267.42932	0.3
269.17603	0.3
303.97314	0.3
331.18930	2.2
387.21494	0.6
441.20853	0.3
453.20889	0.9
485.23615	7.6
549.26715	4.6
631.38898	0.3
648.38629	0.3
683.48584	0.3
775.43091	0.3
793.43372	100.0
794.43701	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	793.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
61.02922	6.3
65.03928	0.4
67.05504	5.7
69.03427	3.0
69.07060	0.9
69.13995	3.2
71.01350	0.8
71.04984	0.8
73.02915	4.5
73.24714	0.5
79.05477	4.4
81.03419	4.2
81.07046	5.0
83.04967	0.8
83.08601	1.6
85.02905	5.8
87.04475	2.3
87.58730	0.4
91.03972	3.8
91.05475	3.6
93.07043	4.6
95.04972	2.0
95.08581	2.9
96.70941	0.4
97.02895	4.9
97.10186	0.6
98.22719	0.9
99.04466	1.0
101.02351	2.2
105.07033	1.6
107.04994	0.7
107.08614	2.2
109.02907	1.1
109.10176	1.2
111.09307	0.4
119.08598	1.6
121.10165	1.7
127.03918	1.6
131.08577	1.3
133.10120	1.2
135.11740	0.7
140.23372	0.5
145.04938	0.6
147.11720	1.0
149.09618	0.8
149.13257	0.6
157.10185	0.8
175.11253	0.9
193.12273	1.8
203.05188	0.6
211.13419	0.5
243.08368	2.8
251.12666	1.1
267.15900	0.7
297.13144	1.4
307.15012	0.5
335.25854	1.1
425.17664	0.7
451.19516	1.0
469.20505	6.1
515.14105	0.6
515.21100	3.0
519.29315	6.8
747.43201	1.1
749.39240	0.6
793.43341	100.0
794.43652	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	794.323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72626	1.5
65.03942	2.5
65.22667	1.5
67.05487	2.5
69.03418	3.2
69.17944	3.9
69.18366	5.6
78.93311	1.4
79.05497	3.9
85.02927	4.0
91.05488	5.4
92.62756	1.6
95.04964	2.9
100.68056	1.5
103.05472	17.5
105.07024	8.0
107.04932	9.0
113.63507	1.6
115.05488	4.5
117.07001	3.6
118.04163	4.5
119.04963	5.9
121.06532	1.9
122.04350	2.0
123.04433	2.7
125.05991	1.9
130.04071	1.4
131.04939	17.0
133.02858	5.1
133.06490	6.3
135.08098	2.7
137.05992	5.7
142.02663	2.1
144.05679	2.0
145.06496	5.7
147.04420	6.8
147.08110	3.5
148.05142	9.7
149.05942	2.8
151.03926	3.9
151.07527	1.9
153.05458	4.8
159.08015	4.1
160.05188	2.1
161.06058	10.4
163.07541	23.5
167.07039	58.8
171.06514	3.8
173.06004	5.4
175.07596	4.4
176.04706	4.2
177.05432	1.8
177.09000	2.0
179.07037	6.6
181.04948	74.3
187.07559	3.9
190.06300	2.3
191.07025	100.0
192.07448	2.5
193.04947	2.1
193.08598	4.4
195.06479	3.2
201.05458	1.7
203.07072	3.8
205.08658	6.5
207.06525	2.1
207.10190	1.9
209.08055	3.6
217.08545	2.4
219.10153	5.4
221.07991	2.1
225.07501	1.9
233.08095	7.7
235.07535	1.8
235.09697	5.4
245.07935	2.4
263.09152	33.6
267.10172	4.1
279.10223	1.6
297.11295	2.5
307.09555	2.0
325.10669	3.0
337.10526	2.3
339.12384	2.3
357.13379	10.0
371.14905	2.2
385.12714	16.4
389.15982	2.0
399.14459	5.1
417.15344	38.8
420.62979	1.5
563.55060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72626	1.5
65.03942	2.5
65.22667	1.5
67.05487	2.5
69.03418	3.2
69.17944	3.9
69.18366	5.6
78.93311	1.4
79.05497	3.9
85.02927	4.0
91.05488	5.4
92.62756	1.6
95.04964	2.9
100.68056	1.5
103.05472	17.5
105.07024	8.0
107.04932	9.0
113.63507	1.6
115.05488	4.5
117.07001	3.6
118.04163	4.5
119.04963	5.9
121.06532	1.9
122.04350	2.0
123.04433	2.7
125.05991	1.9
130.04071	1.4
131.04939	17.0
133.02858	5.1
133.06490	6.3
135.08098	2.7
137.05992	5.7
142.02663	2.1
144.05679	2.0
145.06496	5.7
147.04420	6.8
147.08110	3.5
148.05142	9.7
149.05942	2.8
151.03926	3.9
151.07527	1.9
153.05458	4.8
159.08015	4.1
160.05188	2.1
161.06058	10.4
163.07541	23.5
167.07039	58.8
171.06514	3.8
173.06004	5.4
175.07596	4.4
176.04706	4.2
177.05432	1.8
177.09000	2.0
179.07037	6.6
181.04948	74.3
187.07559	3.9
190.06300	2.3
191.07025	100.0
192.07448	2.5
193.04947	2.1
193.08598	4.4
195.06479	3.2
201.05458	1.7
203.07072	3.8
205.08658	6.5
207.06525	2.1
207.10190	1.9
209.08055	3.6
217.08545	2.4
219.10153	5.4
221.07991	2.1
225.07501	1.9
233.08095	7.7
235.07535	1.8
235.09697	5.4
245.07935	2.4
263.09152	33.6
267.10172	4.1
279.10223	1.6
297.11295	2.5
307.09555	2.0
325.10669	3.0
337.10526	2.3
339.12384	2.3
357.13379	10.0
371.14905	2.2
385.12714	16.4
389.15982	2.0
399.14459	5.1
417.15344	38.8
420.62979	1.5
563.55060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	18.3
57.07080	6.8
61.02930	4.3
64.37935	3.3
65.03908	4.0
67.05506	80.6
69.07070	32.6
79.05494	32.7
81.07057	78.9
83.08631	16.5
91.05471	21.7
93.07045	40.7
95.08610	57.6
97.06551	5.5
97.10168	7.4
105.07027	17.9
107.08598	21.9
109.10162	28.5
117.07034	6.1
119.08573	14.2
121.10152	24.4
123.11701	11.2
125.13226	3.4
131.08571	5.1
133.10126	12.7
135.11693	9.5
137.13286	5.3
145.10114	7.9
147.11658	9.6
149.13257	8.2
159.11705	5.8
161.13260	4.7
163.14838	6.5
175.14813	6.9
187.14836	4.8
243.20973	5.8
245.22661	3.5
261.22144	20.0
263.23697	7.3
317.24661	7.3
335.25763	86.9
337.27390	100.0
339.29095	8.3
597.48529	34.9
615.49878	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	795.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.36911	0.7
61.02918	3.9
67.05503	4.0
68.05847	1.0
69.03436	2.3
69.07066	2.1
69.66840	1.7
69.67210	1.1
71.04995	0.9
73.02931	3.6
73.49157	0.8
79.05489	4.6
81.03421	5.0
81.07063	4.3
83.08584	0.9
85.02899	5.2
91.03977	2.5
91.05498	3.9
91.68613	0.8
93.07051	5.4
95.04995	2.9
95.08634	1.9
97.02910	3.5
97.06561	3.1
101.02439	1.2
105.07050	3.1
107.08622	2.2
109.02911	0.9
109.10157	1.5
119.08607	2.6
121.10152	1.8
123.08023	1.1
127.04003	1.1
131.08607	1.5
133.10110	1.4
135.11699	1.0
175.11136	1.2
178.64877	0.8
184.07324	1.6
193.12347	1.1
243.08528	2.2
255.16225	1.0
349.19757	5.6
435.27661	2.5
436.27969	3.5
467.52890	1.0
469.20486	7.8
550.60809	0.8
567.27344	4.0
697.33850	1.2
795.41302	100.0
796.41351	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	795.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
57.07088	0.5
61.02924	5.6
67.05506	4.7
69.03425	2.8
69.07068	2.1
71.04998	0.8
73.02917	3.9
75.08640	0.5
79.05492	4.1
81.03424	4.3
81.07045	3.8
83.05006	1.4
83.08636	1.7
85.02908	5.2
87.04462	0.5
88.14606	0.5
91.03960	3.3
91.05479	4.0
93.07030	3.9
95.04988	1.9
95.08601	2.4
97.02891	3.8
97.06561	0.8
98.23518	0.9
99.04475	1.0
99.08118	0.7
101.02396	1.8
103.03975	0.7
105.07032	2.2
107.04964	0.8
107.08588	2.3
109.02893	0.8
109.06567	0.8
109.10181	1.2
117.07042	1.2
119.08604	1.7
121.06509	0.6
121.10126	2.4
123.11646	0.5
127.03952	1.5
129.05504	1.0
129.06995	1.0
131.08606	1.4
133.10144	2.1
135.11714	0.9
135.95181	0.5
139.11232	0.8
145.10146	0.9
145.75456	0.4
147.11707	1.1
149.02341	0.7
149.09645	1.4
151.11198	0.7
157.10175	1.0
165.12807	0.6
175.11279	0.9
184.07533	0.6
185.04265	0.8
193.12332	1.4
194.05473	0.5
203.05396	0.6
241.07161	0.5
243.08395	3.9
251.12604	0.9
255.15977	0.6
263.45410	0.5
269.13785	0.9
301.09009	2.4
313.17764	1.0
315.10406	0.7
322.13272	0.4
331.18961	1.9
333.20618	0.5
355.13846	0.6
369.15500	0.7
373.11142	0.8
381.21811	0.4
385.18326	0.6
413.18106	0.8
424.32602	0.6
439.19592	1.6
443.18872	3.7
451.19092	1.1
453.20810	0.7
469.20410	6.2
487.21527	5.0
499.21558	0.6
525.23761	0.5
531.25543	1.0
541.22900	1.0
549.26721	1.7
551.28070	1.0
559.23773	0.6
641.31549	0.9
644.22119	0.5
667.32892	4.2
697.33759	1.0
709.34174	3.6
723.39166	0.5
726.33368	0.5
749.41553	2.2
751.38550	0.6
777.40186	5.3
795.41156	100.0
796.41321	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	795.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50064	0.3
73.47663	0.3
81.07060	0.5
87.04495	0.4
98.22655	1.1
120.49561	0.3
127.02934	0.4
241.04504	0.4
406.41327	0.4
409.30478	0.4
517.20471	0.5
526.20020	0.4
691.40173	5.2
795.42865	100.0
796.42950	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	795.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.05009	0.6
61.02927	4.3
65.03924	0.3
67.05505	4.3
69.03435	2.6
69.07075	1.7
71.01380	0.6
71.05006	1.8
73.02923	3.4
79.05492	3.7
81.03419	2.9
81.07063	4.7
83.04998	0.7
83.08638	1.2
85.02909	5.5
87.04507	0.6
91.03955	3.1
91.05485	4.3
93.07041	4.4
93.07510	0.4
93.43569	0.3
94.37446	0.3
95.04994	1.4
95.08642	1.8
97.02905	3.8
97.06558	0.9
97.10226	0.6
99.04451	0.7
101.02386	2.0
103.03973	0.8
105.07016	2.8
107.08568	2.2
109.02892	0.8
109.06580	0.3
109.10199	1.4
117.07036	0.7
119.08580	2.1
121.10116	1.8
123.11828	0.5
127.03954	1.4
129.05576	0.4
129.07072	0.6
131.08617	1.6
133.10124	2.4
135.11743	0.7
143.08551	0.4
145.10269	0.5
147.11745	1.5
149.09677	1.3
149.13298	0.7
151.11212	0.9
157.10187	0.7
159.11798	0.4
161.13226	0.4
173.11855	0.4
175.11224	0.5
185.04327	0.9
193.12309	0.6
201.03616	0.4
225.14862	0.4
228.85548	0.3
232.50955	0.4
243.08389	3.9
267.15848	0.8
269.17587	0.4
283.15164	3.7
301.09119	1.2
315.10651	0.5
323.18613	0.6
333.20523	1.2
339.17941	0.6
367.47141	0.3
373.11218	0.4
383.16849	0.4
385.17896	0.4
403.76263	0.4
410.45016	0.4
413.17755	0.6
453.21130	1.4
465.21091	1.1
469.20612	0.8
485.23639	3.0
501.23074	8.1
513.40021	0.4
529.22760	0.5
535.28723	5.9
551.28198	1.6
573.25122	0.7
601.28802	0.4
625.32404	0.8
643.32593	0.4
705.38226	3.2
721.38440	0.4
729.20026	0.5
748.37524	0.4
749.40417	0.5
777.41766	0.6
778.96472	0.4
795.44940	100.0
796.45380	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	795.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02338	0.4
57.03434	2.1
57.07082	1.0
61.02922	5.0
67.05502	4.9
69.03435	3.9
69.07079	1.7
71.01385	0.6
71.04989	3.3
73.02921	3.1
79.05493	3.5
81.03426	1.5
81.07053	5.8
83.04987	0.6
83.08636	0.9
85.02892	4.1
85.06541	0.6
87.04461	3.2
89.06025	7.5
91.03944	2.2
91.05472	3.8
93.07043	3.7
95.04987	1.1
95.08605	2.3
97.02895	3.8
97.06549	1.2
99.04515	0.7
100.82150	0.4
101.02393	1.5
105.07062	1.6
106.27036	0.4
107.04991	0.5
107.08575	2.1
109.06552	0.5
109.10204	0.9
111.08109	0.8
117.07027	0.5
119.08614	0.8
121.06557	0.5
121.10156	1.1
123.11722	0.7
127.03949	1.5
131.07056	0.8
131.08614	1.1
133.08588	5.5
133.10138	2.3
135.08028	0.4
135.11749	1.5
145.05008	0.4
147.11786	0.7
149.13347	0.4
151.11157	0.7
159.11736	1.0
177.11192	2.8
185.04335	0.7
203.05180	0.5
209.56935	0.4
243.08379	3.1
244.08736	0.4
257.17630	0.9
267.15747	0.6
273.93539	0.4
275.20154	0.5
333.20432	1.4
385.48392	0.5
439.19754	1.1
453.21405	1.9
453.41464	0.4
469.20728	0.7
485.23648	7.5
485.29947	0.6
486.23886	0.7
501.23254	0.5
502.23700	0.7
503.23862	0.7
533.27563	0.4
535.28052	0.7
541.91876	0.4
551.28333	5.0
613.40741	0.4
625.31958	0.5
675.35815	0.5
697.37372	1.5
723.38654	0.6
795.44806	100.0
796.45239	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	795.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	2.6
57.07019	0.5
59.04951	0.9
61.02855	6.9
62.30830	0.4
62.46989	0.5
65.03899	0.5
67.05428	10.8
67.05819	1.0
69.03355	4.4
69.06995	1.2
69.87363	1.5
71.01302	0.6
71.04955	0.9
73.02840	5.4
79.05415	3.4
81.03410	3.3
81.06971	6.2
83.08550	1.0
85.02905	8.4
87.04417	1.1
91.03957	4.7
91.05490	2.5
93.07050	3.5
95.04872	1.3
95.08609	4.0
97.02896	7.1
99.04375	1.5
101.02386	3.0
103.03835	0.6
105.06951	1.4
107.08510	1.7
109.02819	1.2
109.10157	8.6
111.08031	0.8
115.03822	0.6
117.06930	0.7
119.08593	2.4
121.10035	2.0
126.86839	0.4
127.03916	2.9
131.08501	0.9
133.10022	1.4
135.11578	0.5
145.04948	1.1
145.10056	0.6
147.11644	0.7
149.13123	0.5
159.11601	0.5
170.12759	0.5
172.97012	0.5
173.11760	2.2
173.12933	0.5
185.04129	1.4
193.12152	1.0
195.09885	0.9
203.05199	1.0
229.14211	1.7
243.08406	4.4
251.12517	0.8
323.33401	0.5
335.25919	0.7
357.60660	0.5
413.17810	12.9
414.17792	0.5
469.20200	2.2
499.21497	0.8
515.21094	1.2
517.22552	0.6
519.29260	8.0
521.30872	2.8
644.62677	0.5
691.40247	100.0
692.40485	6.3
749.44263	1.9
777.43805	1.2
795.44812	61.5
796.45776	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	796.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	61.1
69.03423	1.4
73.02924	1.8
73.06538	3.8
87.03970	2.0
87.04469	30.4
89.06032	100.0
91.05480	8.4
93.07037	4.2
95.04964	2.9
98.62337	1.0
103.05472	2.7
105.07007	1.7
107.08614	2.0
109.06509	1.4
117.06988	2.2
117.09106	1.2
118.07785	4.6
119.04929	3.7
119.08597	4.5
121.06500	21.3
131.07063	11.7
133.08603	61.3
135.08052	3.3
145.06461	1.4
147.08049	10.7
149.09576	3.7
150.06776	2.6
150.52402	1.0
163.11165	2.5
165.09081	5.3
167.10661	1.2
175.09700	10.7
177.09747	1.8
177.11241	25.7
177.12735	2.6
191.10658	2.9
193.12202	2.2
197.03615	1.1
209.11679	2.1
211.13292	2.9
219.12296	1.9
221.13855	4.7
233.18988	17.4
235.13350	2.0
251.24803	1.1
253.14343	1.8
255.15941	2.6
259.20523	3.0
265.16388	2.7
275.23776	1.7
277.21613	25.6
279.15784	1.4
279.83719	1.2
280.83505	1.1
303.23239	1.9
309.19220	1.4
319.22559	1.4
321.24280	7.2
667.38800	1.9
779.51703	6.3
796.53925	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	796.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
57.07074	10.7
59.04985	2.2
59.67307	0.5
61.02919	2.0
66.70719	0.5
67.05496	2.1
69.03425	1.9
69.07056	1.3
70.06581	0.7
71.04984	2.0
73.02898	2.3
73.06556	2.2
79.05479	1.7
81.03448	0.7
81.07060	2.8
81.07449	0.5
82.07367	0.5
83.08607	0.6
85.02907	1.8
86.04838	0.5
87.04463	36.1
89.06024	100.0
90.06391	0.7
91.03965	1.5
91.05476	3.4
91.30859	0.5
93.07036	1.8
94.22697	0.5
95.04971	1.2
95.08627	0.8
97.02869	2.5
101.02382	0.9
103.03938	0.6
105.07017	1.4
107.04957	0.7
107.07055	1.9
107.08587	1.1
109.10123	0.6
113.05961	0.7
117.06967	0.9
117.09135	1.6
119.08581	1.0
121.06513	2.6
124.57093	0.5
130.08647	1.2
131.07030	12.2
133.08594	67.7
134.08934	0.8
135.08055	0.7
135.10136	0.5
135.11699	0.6
138.15428	0.5
145.06555	0.6
145.10141	0.6
147.08028	2.6
149.09616	2.1
149.13199	0.8
157.08640	0.9
161.11688	0.6
173.09627	1.5
175.09651	10.2
175.11110	1.1
177.11206	30.0
178.11563	0.6
191.10660	0.7
193.12219	1.0
195.13945	0.6
195.83562	0.5
209.11736	1.2
219.12274	3.8
221.13850	7.2
233.19022	2.0
235.13120	0.8
239.15013	0.9
240.70056	0.5
243.08476	1.5
253.14293	1.0
254.41315	0.5
255.15959	0.8
259.20621	2.3
262.21381	0.7
265.16565	2.1
277.21503	0.6
279.15976	0.6
283.17603	1.4
297.16837	0.8
299.18588	1.1
303.23273	1.7
305.25021	0.8
309.19174	1.7
327.20313	0.7
331.25333	0.6
333.20538	0.7
343.21069	0.8
353.21808	0.9
453.21002	0.9
454.21313	0.6
485.23798	1.9
486.24026	1.5
505.14166	0.6
552.28735	1.9
698.37482	0.9
779.51355	0.8
796.45056	46.2
797.45502	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	797.465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
57.07092	0.4
60.52047	0.3
60.89417	0.4
61.02926	4.9
64.34163	0.4
64.58657	0.4
64.59931	0.4
67.05503	4.9
69.03429	3.1
69.07041	0.9
69.84826	1.2
71.04992	3.0
73.02905	3.9
78.98699	0.4
79.05490	3.2
81.03413	2.0
81.07053	6.1
83.05006	0.7
83.08636	1.1
85.02906	4.7
85.06556	0.9
87.04469	1.0
91.03964	2.9
91.05465	3.2
93.07028	3.5
95.04987	0.9
95.08629	1.9
97.02886	4.4
97.06551	1.3
99.04475	0.9
101.02375	2.0
105.07056	1.7
107.08591	2.4
109.02904	0.9
109.10188	1.4
111.08161	0.5
117.07011	0.8
117.90395	0.4
119.08606	0.9
121.10168	1.4
123.11720	0.7
127.03933	1.0
131.08594	1.0
133.10123	3.1
134.09148	0.4
135.11716	1.1
137.24153	0.5
149.13345	0.6
151.11246	0.9
159.11740	0.7
183.13812	0.5
185.04256	0.8
243.08347	2.7
243.15976	0.5
257.17661	0.7
267.15851	1.7
283.15204	0.6
317.21283	0.5
335.21890	2.7
391.24545	0.5
439.19229	2.0
453.20993	2.2
485.23560	7.7
531.30750	0.5
537.29492	1.0
553.29633	6.1
625.32440	0.8
627.29016	0.6
693.37836	1.1
697.37823	1.4
707.39819	0.7
797.46454	100.0
798.46765	9.0
799.69769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
57.07069	1.1
59.05003	0.2
61.02632	0.3
61.02926	4.1
65.03941	1.3
67.05505	0.3
68.99780	0.3
69.03426	11.1
69.07067	1.1
69.19328	1.4
69.50340	0.2
71.01356	0.4
71.04989	0.8
71.08625	1.0
73.02922	1.5
79.05502	0.2
81.03407	3.8
81.07047	0.4
83.01354	0.5
83.04977	0.7
83.08612	0.8
85.02901	51.7
85.10171	0.5
85.34530	0.2
86.03242	0.4
87.04469	1.2
91.03953	2.4
93.03401	1.0
93.07054	0.4
95.04945	0.3
95.08595	0.5
97.02890	12.7
97.10144	0.5
99.04436	2.0
101.02352	0.3
103.03949	1.8
107.04938	0.5
107.08545	0.4
109.02175	0.4
109.02876	4.7
109.06514	0.2
111.04437	2.6
115.03923	0.7
117.07014	0.3
119.08483	0.2
121.02869	2.4
121.06522	0.3
123.04414	0.9
123.06577	0.2
125.02336	0.6
127.03912	13.9
135.04370	0.5
135.08058	0.3
139.03894	100.0
140.04195	1.0
143.70451	0.2
145.04953	28.0
146.05293	0.3
149.05972	1.1
151.03877	0.3
153.05467	1.0
162.07649	0.3
163.03955	2.3
163.06020	11.1
163.07478	1.1
165.05548	0.4
167.07019	0.3
169.04941	1.3
175.03719	0.7
177.05444	1.3
179.03372	0.3
180.08644	0.8
181.04962	0.9
181.06998	0.2
189.05424	0.4
193.05020	0.7
205.04947	2.0
219.06561	0.4
247.05832	0.4
261.18500	1.4
271.08032	0.4
279.19522	8.0
289.09286	0.6
297.20590	41.4
298.20947	0.9
309.20569	0.2
321.20670	1.8
325.11188	2.4
333.20767	0.3
337.20096	0.3
345.20370	0.4
359.21808	0.4
363.16904	0.3
363.21613	5.9
387.21597	1.5
405.22723	2.1
423.23743	3.7
441.24881	0.4
459.25558	0.6
800.25494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01463	0.9
58.12286	1.0
70.06624	0.9
81.07053	1.1
83.04665	0.9
84.08138	14.7
89.03912	11.4
91.05445	1.6
117.03370	31.1
127.12329	1.6
134.03627	1.8
135.04402	2.0
145.02838	70.9
149.05963	7.5
161.26576	0.8
163.03867	1.5
177.05461	100.0
178.05914	1.2
186.05531	4.8
199.71257	1.0
234.11240	35.0
251.36284	1.2
272.60211	1.2
294.05051	1.1
303.17072	8.6
374.26874	4.4
393.85977	1.1
448.34946	1.3
502.92224	1.1
606.38757	4.8
624.40002	54.0
625.40167	3.6
800.42841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41510	11.4
69.48586	2.5
72.42307	2.3
72.56940	2.3
94.93010	32.0
114.89308	15.7
116.89132	21.1
120.33089	2.6
139.03941	3.0
190.89110	2.8
206.88710	11.3
212.08511	2.9
248.89673	52.9
354.81717	4.6
368.85489	2.8
404.30096	2.5
458.76691	5.6
458.82999	100.0
801.10455	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	0.3
70.50655	0.3
71.22162	0.3
78.44331	0.3
127.00030	1.6
158.53355	0.3
162.98672	0.3
205.11993	1.0
225.09805	1.6
230.68185	0.3
241.12852	0.5
243.10803	2.1
249.10991	10.4
267.12106	2.0
271.47083	0.4
285.11829	2.5
309.13144	3.7
327.13016	0.4
335.09344	0.5
353.12048	100.0
354.12344	1.9
457.94101	0.4
471.22058	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.0
58.07412	0.3
68.02399	0.3
83.01109	1.4
87.04470	0.3
90.06378	0.5
91.06446	0.3
95.04728	0.3
97.02705	0.2
98.03470	0.4
104.67654	0.2
111.04210	3.3
112.05011	0.8
113.05802	0.3
120.15450	0.3
122.06842	0.2
125.05766	0.3
127.03686	2.0
128.77715	0.2
133.08627	0.7
134.08986	0.3
139.07307	0.5
140.08109	0.3
141.05266	0.9
142.06078	0.5
154.14140	0.2
155.06766	2.8
155.07753	0.2
156.07622	0.6
169.08400	0.5
170.09178	0.5
171.06245	1.8
177.11313	0.3
183.09970	0.7
184.10788	0.4
185.07846	0.6
188.06647	0.3
190.57417	0.2
199.09399	3.7
199.11081	0.3
200.10248	0.5
211.49217	0.2
213.11035	0.4
214.11812	0.9
215.08984	1.6
227.12643	0.6
230.11111	0.3
243.12018	2.0
256.99963	0.2
257.13641	0.6
259.11682	0.7
271.15128	2.2
287.14648	3.0
301.16287	0.4
303.14307	0.7
306.50345	0.2
315.03574	0.4
315.17972	0.7
331.13562	0.3
331.17184	1.5
347.16858	0.7
375.19818	2.1
391.19550	1.0
403.21860	0.3
419.22766	0.7
435.22177	0.9
463.25116	1.8
477.08936	0.4
479.24414	1.1
507.27475	0.4
523.27374	0.9
551.30267	1.7
567.29578	1.6
595.33160	0.5
689.37482	0.4
729.39832	1.0
741.32471	0.4
763.67828	0.3
801.49658	100.0
802.49902	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	801.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26912	0.3
67.05499	0.6
68.02407	0.7
69.23112	0.8
69.23522	0.9
79.05478	0.3
83.01101	2.0
89.81315	0.3
91.05486	0.5
93.07060	0.4
98.03453	0.6
111.04198	3.2
112.05004	0.8
119.08572	0.4
127.03676	2.8
133.08606	0.6
139.07344	0.4
141.05219	0.6
142.06033	0.7
155.06758	2.4
156.07623	0.6
171.06329	1.7
199.09404	2.0
215.08891	1.4
229.10458	0.3
243.12090	1.3
257.13858	0.5
259.11621	0.7
262.05731	0.3
271.15262	0.6
287.14786	0.9
289.14227	0.7
303.14200	0.6
331.17404	0.9
333.16589	2.5
356.09991	0.3
375.20029	0.5
377.19391	4.5
419.22815	0.4
421.21954	5.1
447.06561	0.3
465.24551	4.3
482.06161	0.3
507.26529	0.5
509.27243	2.3
521.31177	0.4
553.30005	1.1
555.12762	0.4
583.21533	0.3
597.32495	0.6
621.02240	0.3
689.37317	0.5
729.40814	0.4
782.21826	0.4
801.49670	100.0
802.50018	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	802.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.3
57.07078	0.8
58.59470	0.4
61.02914	1.1
62.05730	0.3
67.05502	3.9
68.99793	0.6
69.03434	3.8
69.07066	1.3
70.59666	0.7
71.04985	1.3
73.02917	0.9
79.05497	1.9
80.46738	0.4
81.03418	1.7
81.07059	1.8
83.04974	0.7
83.08613	1.0
85.02906	17.8
85.06503	0.4
91.03946	0.8
91.05483	2.3
93.03370	0.5
93.07031	1.2
95.04966	1.3
95.08594	3.5
97.02892	5.1
97.10168	0.9
99.04459	0.7
103.03917	0.5
105.07030	1.8
107.04952	1.1
107.08577	1.4
109.02911	2.0
109.06493	0.4
109.10146	2.5
111.04439	7.2
111.08054	0.4
115.05467	0.8
117.07024	0.7
119.04929	1.9
119.08570	1.6
121.02909	0.5
121.10150	0.4
123.04437	8.6
125.02386	0.4
126.93611	0.4
127.03905	4.6
129.06993	1.0
131.08519	0.7
133.02898	0.5
133.06494	4.6
133.10141	1.2
135.04381	0.6
135.07980	0.4
137.06003	1.6
137.09566	0.5
139.03899	53.6
140.04248	0.5
141.05461	1.4
143.04924	0.5
145.04953	6.2
145.06332	0.6
145.10133	0.9
147.04404	7.8
147.08049	2.0
147.11655	1.2
149.05980	3.7
151.03883	2.6
151.07541	0.8
153.05460	4.4
155.03384	8.4
155.04654	0.5
157.06511	1.0
157.10071	0.6
159.04436	0.3
159.08029	1.2
161.05981	9.9
161.13240	1.0
163.03915	8.9
163.06020	3.3
163.07542	2.9
165.01830	0.8
165.05478	13.1
167.03406	1.0
167.07040	1.0
169.04953	5.8
171.04333	0.4
171.08022	0.6
171.11652	2.1
173.05965	0.4
173.09674	1.1
175.03937	1.0
175.07539	4.2
175.11157	0.7
177.05467	2.4
177.09132	0.5
179.03468	3.7
179.07027	12.9
181.04939	1.1
181.10085	0.6
185.05934	0.5
189.05467	1.8
189.09134	2.7
189.12767	3.8
191.07025	0.4
193.04974	1.0
193.08614	6.2
199.11237	2.9
201.05519	0.4
203.03412	0.4
203.07069	0.7
203.10695	0.9
205.04935	2.7
207.13817	2.7
213.05258	0.4
213.12735	0.6
217.05151	0.4
217.12221	18.9
219.13812	0.5
221.04454	1.6
227.10713	1.4
229.04993	1.1
231.06552	0.6
231.13829	3.0
235.13286	6.1
241.12263	0.4
245.04468	0.7
245.07996	0.5
245.11752	5.8
247.05786	0.4
249.14816	1.6
259.13235	0.7
263.05432	0.4
263.12781	16.0
263.16400	9.7
264.13104	0.5
272.08917	0.4
273.14828	0.5
281.13840	100.0
282.14178	2.5
283.13385	0.3
299.14902	21.1
301.14349	1.3
305.13858	3.9
318.20432	0.4
323.14899	2.5
325.11310	0.7
329.13882	2.6
329.17264	0.5
343.15289	0.5
347.14902	5.6
353.13739	1.2
365.15933	8.8
371.14969	3.3
389.15948	5.4
407.17047	4.0
425.18015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
57.07065	0.9
61.02931	2.1
67.05487	0.5
68.99780	1.0
69.03110	0.5
69.03432	4.6
69.07059	5.2
71.04980	0.7
71.08636	0.6
71.43273	0.3
73.02917	0.6
81.03410	2.4
81.07052	0.4
83.08598	2.2
83.75195	0.4
85.02901	26.6
87.04452	0.5
91.03955	1.7
94.16187	0.3
95.04966	0.4
97.02256	0.4
97.02892	7.3
99.04445	1.9
103.03907	0.5
105.06985	0.4
109.02881	3.1
113.02343	0.8
116.93414	0.3
123.04441	3.2
127.03915	12.3
137.02341	0.4
139.03873	2.5
141.01811	5.5
141.05473	1.0
143.03346	0.4
145.04953	12.1
147.04375	0.8
147.07971	0.5
151.03963	0.4
154.02599	0.6
155.03381	100.0
156.03729	1.3
158.02110	1.4
162.07639	0.6
163.05998	5.7
165.05508	1.9
167.07024	0.6
167.48953	0.4
169.04955	31.3
170.07036	0.3
171.02866	1.8
175.07507	0.4
179.07004	0.7
180.08685	0.5
198.45270	0.3
203.14362	0.4
231.13618	0.6
249.14793	1.5
267.15897	28.3
268.16257	0.6
281.17480	4.3
284.16208	0.8
289.09232	0.4
299.18515	73.1
300.18829	1.4
325.11267	1.1
403.52124	0.4
461.23889	0.9
702.26416	0.3
802.27374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.8
57.07087	2.2
62.92236	1.8
67.05503	33.8
68.13712	2.0
69.03422	4.2
69.07065	9.5
69.66362	8.0
71.05009	3.1
75.03091	1.9
79.05499	25.9
81.03417	51.4
81.07057	33.6
83.04992	4.1
83.08610	12.3
85.02913	3.5
91.05489	21.9
93.07047	31.1
95.04969	18.1
95.08612	28.3
97.02931	3.5
97.06530	3.7
97.10152	5.1
105.07024	15.7
107.05006	3.6
107.08599	19.9
109.06501	2.5
109.10142	13.5
111.08087	4.2
117.07021	3.9
119.08572	11.5
121.06488	2.6
121.10142	14.4
123.08047	2.5
123.11712	5.6
125.09648	2.0
129.07005	6.6
131.08560	11.5
133.10138	6.6
135.11694	9.3
145.10104	6.4
147.07957	2.7
147.11699	13.2
149.13246	4.5
157.10136	8.6
159.11685	5.8
173.13263	7.1
175.11205	6.7
189.11079	2.3
193.12268	15.7
227.12750	5.5
228.77095	2.2
235.13512	3.0
243.21039	5.7
261.22202	21.6
267.15900	100.0
285.16983	2.7
301.25162	4.0
335.25806	89.6
359.25659	2.4
421.25473	2.4
435.32700	4.3
449.28778	2.6
453.33636	6.9
461.70508	2.4
527.37329	69.2
528.37170	2.7
545.30762	3.9
545.38391	47.7
546.38446	3.6
802.43542	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	804.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29473	0.5
57.03436	2.3
61.02914	4.2
67.05503	16.3
69.03419	1.6
69.07072	5.0
71.04990	1.5
73.02904	1.7
79.05492	11.6
81.03418	2.5
81.07057	14.2
83.04973	1.6
83.08602	3.3
85.02898	5.2
85.06541	1.1
91.03964	2.8
91.05478	14.0
93.07044	13.3
93.07606	0.9
95.04971	3.1
95.08606	8.4
97.02879	2.6
97.06528	2.2
97.10161	2.2
103.05475	0.6
105.04591	0.5
105.07028	14.3
107.04957	2.2
107.08594	7.2
109.06520	2.1
109.10162	5.6
111.08047	1.2
115.05478	0.9
117.07027	7.0
119.04874	0.6
119.08580	10.9
121.06497	2.0
121.10158	4.4
123.08065	1.6
123.11703	1.5
125.09646	1.2
127.03922	1.2
128.06226	0.7
129.05487	0.6
129.07013	5.9
131.00255	0.5
131.08563	13.9
133.06488	1.3
133.10120	7.4
135.08047	2.1
135.11655	1.7
137.09602	1.0
141.07007	2.0
142.07819	0.5
143.08566	5.3
145.04974	1.1
145.06488	0.9
145.10123	7.7
147.08047	2.1
147.11691	2.1
149.09615	1.5
149.13293	0.7
151.11209	0.9
155.08540	3.4
156.09221	0.6
157.06516	0.6
157.10123	3.8
159.08057	1.0
159.11708	3.1
161.09647	1.2
161.13272	1.2
163.06039	1.3
163.11194	1.0
167.08585	1.3
169.10085	2.8
171.08093	0.7
171.11668	3.5
173.09621	0.6
173.11841	0.6
173.13286	1.4
175.11108	0.5
181.10158	1.6
183.11703	1.9
185.13298	1.5
187.14848	1.5
189.12799	0.6
193.12296	0.6
195.11771	2.0
197.13322	2.0
199.11238	0.7
199.14853	0.9
201.12732	0.5
203.14363	0.6
209.13318	1.1
211.14900	1.5
225.16359	0.9
227.12709	0.8
233.15509	0.8
241.15860	0.5
243.17534	0.6
245.15172	0.7
247.16928	1.4
253.14415	1.1
261.18457	1.2
267.15909	2.2
269.10529	1.3
273.18475	1.1
289.18021	0.7
291.19589	1.2
325.25293	1.3
335.23669	1.5
343.26190	1.8
353.24792	3.7
365.23254	1.3
371.25735	4.1
389.26950	3.6
414.28076	0.5
427.28635	0.7
445.29489	100.0
446.29837	5.1
461.28806	0.6
463.30533	21.4
464.30688	0.8
487.18710	0.7
557.34576	3.3
575.35388	1.0
607.36224	0.8
681.30957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.5
57.07060	0.7
59.04994	1.1
65.03930	1.5
67.05502	30.6
69.03433	8.7
69.07064	20.0
69.69171	2.2
71.04984	3.7
73.25237	0.7
79.05490	26.8
81.03414	60.5
81.07051	24.4
83.04973	7.4
83.08611	18.5
85.02888	1.2
85.06552	2.5
91.05476	26.7
92.05836	0.6
93.07037	20.3
93.07608	1.4
94.07397	0.8
95.01311	1.0
95.04333	1.1
95.04962	23.5
95.08600	12.2
97.02883	8.3
97.06514	4.0
97.10158	12.1
99.08094	1.4
100.38953	0.7
105.03430	0.9
105.04521	1.0
105.07021	20.8
106.07308	0.6
107.04948	10.4
107.08579	14.7
107.09257	1.1
109.02876	0.9
109.06519	4.9
109.10148	10.8
111.04423	0.9
111.08079	6.8
113.06016	0.8
114.83669	0.7
115.05447	2.3
117.07008	5.9
119.04961	1.6
119.06021	0.6
119.08579	19.3
121.06522	6.2
121.10143	8.7
123.04421	0.8
123.08086	4.1
123.11691	1.6
125.09638	8.1
128.06232	1.3
129.07010	8.5
130.07761	0.9
131.04918	0.6
131.08566	11.6
133.06508	5.9
133.10115	12.8
134.07297	0.9
135.08044	4.4
135.11667	3.1
137.09641	3.1
141.07054	1.4
142.07768	2.1
143.08540	4.3
145.06497	1.0
145.10103	7.6
147.08038	7.2
147.11688	7.5
149.09608	3.9
149.13243	1.9
151.11162	3.6
153.09105	1.8
155.08485	1.0
157.10139	7.9
159.08025	1.5
159.11711	2.8
161.09618	3.8
161.13333	0.7
162.10344	0.9
163.11115	3.3
165.09140	0.8
165.12741	1.3
169.10202	0.8
169.12224	1.1
171.10187	1.4
171.11685	1.7
173.09616	1.3
173.13229	1.2
175.11205	8.1
177.12738	1.3
179.10649	1.0
183.11661	0.8
188.77626	0.6
189.11295	4.4
193.12236	14.3
194.12584	0.7
195.11758	0.9
195.13754	1.3
205.12283	2.1
211.13354	1.7
217.00060	1.0
219.13768	4.4
223.13266	15.4
223.15271	1.1
227.12816	8.2
231.13780	0.8
242.73245	0.8
245.19063	1.5
249.14851	4.3
251.12714	0.7
253.14281	9.0
255.17343	0.8
263.20239	0.9
267.15891	66.9
268.16342	1.0
273.18439	11.1
287.20132	1.2
291.19531	66.5
292.19861	1.9
313.21637	2.2
347.22256	1.7
365.23212	50.1
366.23505	1.7
385.23657	1.8
389.23227	0.9
421.26276	1.1
437.25116	1.1
445.25726	6.1
447.28464	0.8
459.27466	5.5
463.26953	2.1
465.30020	1.3
477.28204	4.6
483.31381	1.8
539.33636	10.3
557.34680	100.0
558.35120	5.5
575.35901	3.3
589.37036	0.7
599.35681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.0
57.07071	3.2
65.03939	2.0
67.05504	50.7
68.60560	0.7
69.03418	5.7
69.07064	13.5
71.01346	0.9
71.04985	5.5
73.02911	2.6
73.06564	1.3
77.15488	0.7
79.05493	34.2
79.24654	0.8
81.03417	68.8
81.07057	49.5
83.04980	12.0
83.08619	17.8
85.02885	1.4
85.06541	5.5
87.04465	3.6
89.06044	9.1
91.05479	48.8
93.07047	35.3
93.07513	0.7
95.04970	27.4
95.08607	19.4
97.02901	3.9
97.06529	6.9
97.10172	3.8
99.04453	2.3
99.08080	1.6
101.06031	0.9
101.46104	0.9
103.05484	1.9
105.04532	2.2
105.07030	37.5
106.73992	0.9
107.04944	9.6
107.07851	0.9
107.08593	31.6
109.06502	10.0
109.10156	45.1
111.04440	3.4
111.08073	6.5
113.06001	3.0
115.05378	1.5
117.07018	8.6
119.04987	1.0
119.08582	17.7
121.06504	8.4
121.10146	9.6
123.04446	2.4
123.08047	4.7
123.11696	7.7
125.06001	0.8
125.09630	2.7
127.07566	2.3
128.06239	2.0
129.06999	8.6
131.07056	0.8
131.08563	14.0
131.09471	1.5
133.06512	6.9
133.08672	5.2
133.10129	58.3
134.10472	1.3
135.08044	7.1
135.11708	5.5
137.05940	1.1
137.09615	3.7
139.07596	1.3
142.07759	2.1
143.08554	4.4
145.06425	1.4
145.10117	7.2
147.08047	5.8
147.11679	8.9
149.09618	8.2
149.13254	1.0
151.11183	29.0
153.09145	1.0
154.07700	1.0
155.08633	0.9
157.10110	10.0
159.08049	2.8
159.11707	3.4
161.09628	6.2
161.13235	1.6
163.07549	1.0
163.11133	4.2
165.12686	1.5
167.08464	0.9
169.12238	2.8
171.11673	2.7
173.09653	3.1
173.13208	1.0
175.11182	8.9
175.14937	0.8
177.09114	1.3
177.11212	3.1
177.12680	1.5
179.10703	3.3
185.13162	1.4
187.11285	0.9
189.12715	1.3
191.10715	1.0
193.12244	19.7
195.11638	1.3
199.11145	1.1
205.12326	2.2
211.11186	1.0
211.13234	0.9
213.16493	1.0
215.12781	2.5
223.13239	1.0
225.14839	1.1
227.12793	2.9
229.14435	1.2
245.15408	1.4
245.18987	2.8
249.14799	1.4
251.12756	1.5
253.14343	100.0
254.14702	3.2
255.17441	1.4
263.20129	2.8
267.15906	66.5
268.16144	1.4
271.15094	1.1
273.18475	15.3
276.66571	0.9
283.15350	2.3
287.19998	9.6
291.19513	21.8
292.19891	1.1
309.20642	1.4
329.21082	1.3
343.22711	1.8
347.22147	7.9
353.21313	0.9
365.23245	33.2
366.23557	1.6
371.21854	1.6
389.23285	2.1
403.24667	1.2
421.25888	2.6
437.25250	1.1
439.25687	0.8
445.20209	1.1
445.25873	19.1
446.25977	1.0
447.28772	2.2
457.26321	1.1
461.25113	1.2
463.26889	25.3
465.30035	2.8
475.26822	1.4
477.28268	0.8
483.30798	3.1
539.33698	17.7
540.33508	1.2
557.34698	92.5
558.34845	5.7
575.35895	5.3
599.35822	1.0
607.33759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	17.9
57.07078	1.8
59.04996	1.6
61.02937	1.5
65.03944	3.1
67.05502	66.2
69.03426	9.2
69.07068	28.4
69.48597	4.9
71.01377	1.7
71.04990	12.0
77.03936	2.2
79.05489	54.9
81.03416	88.4
81.07054	76.1
83.04981	14.2
83.08617	32.4
85.02907	5.8
85.06538	5.4
91.05479	53.3
93.07045	57.2
95.04967	36.9
95.08599	25.3
97.02880	4.8
97.06532	19.2
97.10178	12.3
99.04476	2.4
99.08103	4.7
103.05450	2.2
105.04536	3.3
105.07028	40.4
107.04939	13.9
107.08593	40.4
109.06524	9.8
109.10157	15.2
111.04430	3.6
111.08102	10.6
113.06013	1.9
115.05444	3.0
117.07007	13.7
119.05020	2.6
119.08569	33.1
121.06514	8.5
121.10151	23.4
121.40119	1.4
123.08093	7.1
123.11739	6.2
125.09631	12.1
128.06281	2.3
129.05484	2.9
129.06999	16.9
129.07851	1.8
131.04971	2.4
131.08569	24.9
133.06488	4.8
133.10133	28.4
135.08015	7.5
135.11691	12.3
137.09616	4.1
141.06949	3.1
142.07745	3.6
143.08588	8.5
145.06493	4.6
145.10110	19.1
147.08044	8.3
147.11674	16.7
149.09616	13.4
149.13255	11.0
151.11201	5.9
155.08585	3.9
156.47923	1.5
157.10100	10.6
159.08119	2.6
159.11719	11.7
161.09604	3.5
161.13275	3.7
163.11165	6.9
165.12772	3.5
167.08528	1.6
169.10117	4.5
171.11720	5.7
173.04442	2.9
173.09628	3.4
173.11769	2.0
173.13222	3.4
175.11195	11.2
177.12784	3.8
179.14262	1.8
181.12254	1.6
183.11710	4.3
184.07248	1.4
185.13293	2.7
189.11218	5.1
189.12747	2.1
193.12250	22.2
195.11958	1.6
195.13861	3.5
197.13361	1.5
203.14362	1.5
209.11653	2.9
211.13283	4.0
217.15858	2.0
223.13239	2.3
227.12692	10.0
229.14404	4.5
249.14980	2.0
253.14368	6.8
255.15857	12.3
257.15213	2.6
257.19189	3.5
263.20001	1.8
267.15894	77.2
268.16263	2.7
269.17453	28.7
273.18515	4.9
275.20062	17.6
291.19611	6.7
293.21100	2.2
301.20697	2.1
349.23770	20.6
351.22992	2.6
365.23318	3.0
367.24582	3.1
369.24191	3.7
387.25412	1.5
421.25848	5.2
431.29282	2.8
437.29477	3.6
443.28229	9.4
447.27435	28.0
449.30408	4.1
459.27310	2.2
461.28973	100.0
462.28848	3.1
467.31488	1.9
477.28296	1.6
479.29971	1.5
493.31635	14.4
501.32263	1.9
511.28836	3.6
515.33691	2.0
523.34357	1.8
541.27271	2.9
541.35248	47.8
542.35541	2.2
559.36340	19.7
569.30865	2.2
583.35535	2.0
591.38007	2.7
605.33862	2.3
667.37195	2.3
716.78088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
57.07078	0.9
58.31002	0.3
61.02918	0.5
65.03928	0.4
67.05504	4.4
69.03416	0.4
69.07076	0.9
70.06600	0.6
71.04996	1.0
71.08669	0.3
79.05092	0.3
79.05483	1.8
81.03441	1.1
81.07062	2.3
81.98600	0.3
83.04985	0.5
83.08627	1.1
85.02888	0.5
86.06047	0.5
86.21225	0.4
87.04494	0.3
88.07636	0.4
91.05474	1.7
93.07045	2.1
93.25715	0.3
95.04960	0.6
95.08595	1.4
97.06535	0.5
99.08085	0.4
102.09174	0.7
104.10478	0.3
105.07058	1.4
107.04946	0.5
107.08617	1.1
109.10141	2.2
117.07012	0.5
119.08608	0.8
121.06545	0.4
121.10162	0.6
126.34966	0.3
131.08588	0.5
133.10170	1.2
135.11699	0.8
142.06120	0.3
145.10158	0.7
147.11752	0.4
149.02312	2.8
149.09583	0.4
151.11241	0.4
153.12872	0.4
159.11722	0.4
159.60324	0.3
163.11269	1.2
164.06833	0.5
173.11861	0.4
179.14461	0.5
181.12341	0.5
188.82317	0.3
193.05052	1.3
193.12306	0.5
211.13420	0.3
227.12828	1.2
229.14296	1.9
253.14465	0.5
256.26398	1.4
267.16089	1.1
275.17337	0.4
277.21844	0.3
283.15353	1.8
283.87128	0.3
291.19604	0.8
292.20041	1.5
301.16537	0.5
306.09979	0.3
334.24786	1.2
346.21051	0.6
347.20801	0.4
363.23880	0.3
365.23007	0.3
368.23242	0.8
401.25696	0.4
405.28220	2.5
415.26379	0.4
421.25974	0.3
437.25458	1.0
439.26685	1.9
447.33273	0.7
460.28986	0.4
476.32733	0.4
481.31577	2.0
490.04950	0.3
491.30228	0.6
505.35190	0.8
518.36871	1.8
533.34332	0.8
552.35492	2.2
559.36499	1.1
591.39038	0.7
594.39801	2.3
609.36700	0.5
631.45630	0.5
644.41797	0.6
665.43622	5.7
672.40271	0.8
675.41803	0.5
692.44208	0.4
707.48285	1.3
762.53229	0.4
778.51807	7.3
788.51135	1.2
806.39697	3.9
806.51477	100.0
807.39417	0.5
807.52136	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	808.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	19.2
57.07080	2.5
59.04994	5.3
61.02926	4.5
65.03925	3.6
67.05505	100.0
69.03418	9.8
69.07070	34.1
70.85738	2.4
71.01350	2.9
71.04993	14.2
73.02898	2.6
79.05491	53.8
81.03424	34.4
81.07057	83.8
83.04985	14.6
83.08620	23.9
85.02883	11.2
85.06541	7.2
87.04475	4.7
90.77813	1.8
91.05480	52.8
91.06057	2.6
93.07045	51.1
95.04407	2.5
95.04967	19.9
95.08611	33.7
97.02885	8.3
97.06531	14.0
97.10177	17.0
99.04446	2.8
99.08098	2.5
99.34064	1.8
103.05456	1.9
105.04523	3.3
105.07023	33.4
107.04956	10.8
107.08598	32.7
107.09267	3.9
109.02911	1.9
109.06522	8.3
109.10158	50.3
111.04456	2.5
111.08074	9.2
113.09623	2.4
117.07024	15.4
119.08584	31.1
121.06506	4.8
121.10157	21.2
123.08054	4.9
123.11703	7.1
125.09633	15.2
127.03882	3.5
128.06235	3.4
129.05489	2.7
129.07010	7.5
131.08574	17.6
133.06511	2.9
133.10123	24.2
135.08040	6.3
135.11688	17.8
137.09610	4.5
139.11188	2.9
143.08522	3.8
145.06514	2.2
145.10124	15.6
147.08087	5.8
147.11688	10.7
149.09613	11.9
149.13245	9.1
151.11203	5.0
153.09052	1.9
155.08545	2.4
155.10666	3.3
157.10136	8.2
159.11679	11.5
161.09601	2.7
161.13293	4.4
163.11148	12.0
171.11732	4.9
173.09608	1.8
173.11751	15.2
173.13231	5.1
174.12093	1.9
175.11189	5.2
177.12759	3.9
181.12343	2.5
184.07330	2.8
189.11148	3.4
191.10643	2.6
193.12225	11.7
195.13847	5.3
199.13309	4.8
209.11594	4.0
211.13333	5.0
217.14360	3.2
227.12740	11.5
229.14326	39.0
229.16386	2.9
239.02144	1.7
241.14389	2.3
243.15904	4.4
245.13838	2.7
247.20592	2.5
253.14256	2.9
255.15921	11.1
257.19122	3.5
267.15887	27.5
269.17493	23.9
273.18387	3.3
275.20041	19.8
283.15457	5.7
285.16989	5.7
291.19482	2.2
293.21246	1.7
301.16489	15.4
349.23709	18.7
365.23285	2.5
397.25668	1.8
403.48395	1.8
409.25928	10.5
411.21359	1.7
411.27298	3.0
421.25836	8.8
423.27420	20.2
435.27448	2.7
437.28952	2.1
447.27341	6.7
455.30237	10.5
462.28967	2.1
473.90488	2.1
477.28485	5.6
479.29745	4.1
495.29245	11.3
499.17084	2.2
503.33316	6.0
513.31012	2.2
517.34631	3.0
521.34521	2.4
541.35065	10.0
542.35706	2.4
543.36456	5.0
557.34558	3.5
559.36261	3.6
575.35291	8.5
593.36401	3.9
757.82404	2.1
808.40796	12.0
809.43048	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	809.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
59.05003	0.8
59.99218	0.3
61.02925	3.2
65.03922	0.5
67.05502	6.2
68.05807	0.6
69.03417	3.1
69.03704	0.3
69.07061	3.5
71.01349	0.4
71.04996	1.8
73.02900	2.9
79.05489	4.9
81.03413	4.6
81.07047	5.3
83.04984	1.1
83.08601	2.0
85.02898	4.4
87.04478	0.6
91.03966	1.9
91.05482	4.3
93.07040	3.1
95.04977	2.2
95.08600	1.7
95.09803	0.4
97.02884	3.5
97.06548	0.8
97.10199	1.6
99.04469	0.7
99.08107	0.5
101.02406	1.0
103.03983	0.6
105.07037	2.5
107.04950	0.6
107.08591	3.0
108.84020	0.4
109.02877	0.7
109.06493	0.6
109.10133	1.7
111.08112	0.8
117.07029	0.9
119.08577	2.1
121.06496	0.5
121.10159	1.4
123.08082	0.6
123.11726	0.6
125.09644	1.0
127.03900	1.0
129.07011	1.1
131.08592	1.6
133.10146	1.5
135.11749	0.5
147.11714	1.5
149.09601	1.7
151.11235	0.5
157.10106	0.7
159.11685	0.6
163.11276	0.5
175.11217	0.7
184.07385	0.5
193.12297	1.5
203.05383	0.4
223.13281	0.9
225.14967	0.5
229.14507	0.4
243.08363	3.7
267.15991	0.7
269.17545	1.5
270.17911	0.7
283.15161	3.3
291.19720	0.9
331.18808	2.2
339.17941	0.9
387.21439	0.8
413.66534	0.4
423.27536	0.8
424.27765	0.5
462.29343	0.5
501.23007	12.1
502.23837	0.4
549.26721	5.9
809.42828	100.0
810.43048	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	809.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.3
59.05004	1.3
61.02927	5.4
61.49323	0.4
67.05508	5.0
69.03432	2.6
69.07078	1.2
71.05002	2.1
73.02904	2.7
79.05495	3.5
81.03419	5.0
81.07049	4.7
83.05005	1.3
83.08630	1.4
85.02912	4.8
85.06538	0.6
87.04483	0.6
91.03948	3.0
91.05479	3.9
93.07048	3.0
95.04995	2.7
95.08588	1.9
95.26604	0.4
97.02885	4.3
97.06552	1.0
99.04475	0.7
101.02411	1.7
103.03968	1.0
105.07014	3.4
107.04980	0.9
107.08591	2.0
109.02918	0.5
109.06553	0.9
109.10201	1.3
111.08114	0.9
111.74183	0.4
115.03988	0.6
119.08618	1.6
121.10180	2.2
123.08134	0.4
127.03935	1.2
129.05531	0.4
129.07063	1.3
131.08589	2.0
133.10132	3.0
137.09604	0.5
141.31665	0.4
145.10197	0.5
147.08075	0.7
147.11691	2.1
149.09622	2.2
157.10167	1.6
160.09952	0.4
163.11255	0.4
165.12703	0.4
175.11293	1.1
185.04135	0.5
191.38753	0.5
193.12231	2.3
197.15428	0.6
198.13705	0.5
211.13512	0.5
213.16766	0.4
225.14893	0.6
228.83911	0.5
230.14758	0.5
233.11357	0.4
243.08450	3.4
267.16080	1.1
283.15134	2.9
301.09113	0.7
313.17880	1.5
331.18881	2.6
339.17923	1.0
451.19556	1.8
501.23090	16.1
502.23288	0.6
531.25745	2.9
549.26599	2.1
573.25183	1.9
639.29938	1.0
711.36041	1.7
740.36401	0.7
791.41785	6.0
809.42798	100.0
810.43298	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	811.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
59.04997	0.5
61.02925	4.3
67.05508	3.8
69.03426	3.0
69.07072	1.7
71.01347	0.4
71.05003	1.6
71.35040	0.4
73.02915	3.2
79.05489	3.6
81.03406	3.3
81.03752	0.3
81.07058	4.2
81.07448	0.4
83.04991	0.9
83.08634	0.9
84.77299	0.4
85.02911	4.1
85.06560	0.4
87.04484	0.5
91.03960	2.4
91.05486	3.5
93.07046	3.4
95.04998	1.7
95.08630	1.7
97.02892	3.4
97.06563	1.3
99.04437	0.6
101.02386	1.9
103.03984	0.4
105.07024	2.3
107.04967	0.7
107.08594	1.9
108.81994	0.3
109.02904	0.9
109.10180	0.8
111.08117	0.4
117.07053	0.6
119.08609	1.1
121.06545	0.5
121.10157	2.0
127.03964	1.4
129.07021	1.0
131.08582	1.7
133.10187	1.4
135.11754	0.7
142.07794	0.4
143.67976	0.4
145.10066	0.4
147.11769	1.3
149.09682	1.3
157.10178	1.0
159.11717	0.5
169.22321	0.4
175.11302	0.5
184.07422	0.9
185.04370	0.5
193.12373	0.9
235.13113	0.6
243.08382	3.8
267.15994	1.0
283.15216	3.0
333.20319	2.6
335.52386	0.4
339.18027	0.9
389.22943	0.7
439.19531	1.1
453.21066	1.6
469.20517	1.1
485.23804	0.7
501.22989	12.1
509.68884	0.4
551.28235	7.0
649.39801	0.5
678.37769	0.5
713.35822	0.6
721.37830	2.4
811.44421	100.0
812.44928	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	811.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
57.07055	0.5
59.05018	0.6
61.02924	4.4
67.05507	7.6
69.03431	4.4
69.07082	1.5
71.05008	2.2
71.08643	0.9
71.43362	0.6
73.02917	3.7
79.05504	3.9
81.03433	3.8
81.07055	6.3
83.04998	1.1
83.08638	1.7
85.02906	4.9
85.06540	0.6
91.03976	3.6
91.05482	4.6
93.07056	3.4
94.70561	0.6
95.04982	1.4
95.08595	3.0
95.42342	0.6
97.02895	4.4
97.06544	1.5
99.04489	0.7
101.02400	2.4
105.07038	3.2
107.04997	1.2
107.08590	2.7
109.02882	1.3
109.10171	3.0
110.10519	0.7
111.08146	0.8
119.08611	1.7
121.10168	1.5
123.08028	0.5
127.03947	2.3
129.05508	0.6
129.07025	1.0
131.08623	1.6
133.10133	3.2
135.11681	0.9
147.11726	1.6
149.09671	1.4
151.11232	0.7
157.10168	0.9
163.11180	1.2
177.12645	0.5
185.04274	0.6
193.12318	2.4
223.13338	0.8
227.12805	0.5
229.14502	0.7
233.11755	0.7
243.08450	3.7
243.16164	0.6
259.07947	0.7
267.15906	0.8
270.18164	0.8
275.20139	1.0
283.15292	2.5
310.68497	0.6
315.10440	0.6
315.19626	1.0
333.20386	2.6
398.26385	0.6
411.19620	0.6
413.18060	1.9
439.19516	2.6
441.20709	1.1
451.19528	2.3
467.18933	1.3
469.20944	1.0
485.23730	1.6
501.23184	9.3
533.27435	2.4
551.28351	2.6
553.77277	0.6
623.31305	2.4
639.29773	6.6
641.30963	2.1
667.31659	1.0
683.35919	6.4
707.39368	2.1
711.35681	1.8
725.36835	1.3
765.43854	2.8
793.43219	6.8
811.44202	100.0
812.44336	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	815.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72116	0.8
68.99784	2.4
71.44822	0.9
78.19087	0.8
81.03413	1.2
91.05489	1.8
96.78204	0.8
97.79823	0.7
108.90612	0.8
109.02888	2.1
111.00803	3.0
115.05446	1.4
117.07023	1.3
118.06546	20.7
123.04438	4.2
127.03918	42.9
130.06523	1.1
132.08098	5.3
133.02921	1.0
135.04341	0.9
139.03896	46.5
142.06552	1.6
143.07327	3.1
144.08084	15.4
146.06004	69.9
147.04471	2.0
149.02356	1.2
151.03893	16.6
153.01894	1.0
155.03409	3.6
159.04459	1.0
159.09125	6.4
160.07617	0.8
163.03879	4.8
167.03394	1.5
170.06032	4.6
171.04425	1.2
175.03943	2.8
177.05498	2.6
179.03386	19.1
181.04927	2.4
181.12956	0.9
188.07062	100.0
189.07385	1.2
191.03413	3.7
193.04930	1.5
199.03847	1.5
200.62007	0.8
201.05612	1.0
203.03343	8.0
205.09720	34.8
213.05511	1.5
214.54092	0.8
217.04990	2.1
229.05020	2.7
231.06422	0.9
233.04422	3.2
241.04883	1.1
245.04425	5.3
251.05516	1.6
257.04483	6.7
258.05026	0.9
259.06049	2.1
263.05521	10.2
269.04361	2.1
271.06229	1.2
275.05450	9.7
277.07004	2.0
287.05508	22.7
289.07043	1.5
299.05588	6.0
305.03268	1.7
305.06534	22.6
305.09561	0.8
307.08081	19.1
307.11298	1.6
317.06531	10.2
407.07486	1.0
425.08713	11.1
439.59491	0.9
443.09766	28.3
445.65222	0.9
467.09613	1.4
485.10657	1.6
510.61072	0.9
537.32520	0.9
611.13763	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	816.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.7
57.07069	3.8
61.02920	2.5
65.03942	1.2
67.01857	1.2
67.05506	3.0
68.99791	2.0
69.03432	5.8
69.07066	3.7
69.40996	2.7
71.01329	0.6
71.04983	0.6
71.08640	1.3
73.02901	1.3
79.05489	1.9
81.03415	3.5
81.07049	3.8
83.01347	0.6
83.08603	2.2
85.02901	23.4
85.03413	1.3
85.10188	3.5
87.04463	0.7
90.19267	0.5
91.03924	1.1
91.05473	2.6
93.07042	0.6
95.04956	2.0
95.08605	4.7
96.59868	0.5
97.02891	8.0
97.10174	1.6
99.04425	1.1
103.03960	1.3
105.03382	1.0
105.07024	2.6
107.04928	1.4
109.02875	2.6
109.06514	1.9
109.10164	1.4
111.04427	5.7
113.09628	2.0
115.05456	2.0
117.07038	1.0
119.04928	3.7
119.08534	1.4
121.02858	1.2
121.06421	0.9
123.04427	11.6
127.03909	25.8
129.07010	1.3
131.04912	0.6
133.02872	0.8
133.06480	13.9
133.10115	0.6
135.08086	0.8
137.05981	1.7
139.03893	53.4
140.04233	0.8
143.04961	1.0
145.04950	8.2
145.06500	1.4
147.04387	8.7
147.08054	11.6
149.05995	3.1
151.03899	3.3
151.07501	1.3
153.05429	2.9
155.03383	79.5
156.03603	0.8
157.06483	1.5
159.08014	0.8
161.02322	1.1
161.05980	20.9
161.09634	2.2
163.03908	11.6
163.06020	5.1
163.07550	5.2
165.05476	34.8
166.05870	0.7
167.03336	1.4
167.06985	0.9
169.04939	1.5
171.07961	0.9
173.05916	0.7
173.09599	1.4
175.03954	1.6
175.07509	7.3
177.05443	2.7
177.09074	1.0
179.03441	18.1
179.07019	85.1
179.35489	0.6
180.07347	0.9
181.08508	0.8
185.05940	1.5
185.09587	1.1
189.05560	3.2
189.09123	4.8
191.03392	0.8
193.04898	3.0
193.08612	3.9
203.03499	0.9
203.07028	4.3
203.10620	1.8
203.17928	0.6
205.04971	5.6
207.25993	0.6
217.05019	1.0
219.06589	0.6
221.04451	16.5
221.08035	1.9
221.11699	0.8
229.04947	1.1
231.06435	0.7
231.17421	6.6
238.54796	0.6
241.15833	1.8
245.04498	3.0
245.08134	2.0
247.05925	0.8
249.18454	6.2
259.16916	21.0
260.17285	0.6
263.05499	2.6
273.18414	0.7
277.17969	100.0
278.18338	2.7
281.06573	2.9
283.16953	1.1
289.18329	0.6
295.19034	71.6
296.19376	3.1
301.17978	5.5
313.20093	26.1
319.19022	8.6
325.11295	2.5
337.20102	7.7
343.19049	5.9
344.18832	0.7
357.20474	0.9
361.20074	13.6
367.18875	1.0
373.20319	0.9
379.21121	14.4
385.19983	4.5
403.21054	11.3
421.22134	11.5
439.23303	3.1
457.24454	1.3
464.95438	0.6
502.04257	0.6
565.25446	0.7
746.59814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.1
71.21674	0.2
98.97604	0.4
116.98718	0.2
131.00191	0.3
158.99727	0.3
228.97061	0.2
311.06488	0.2
339.22415	0.4
426.44257	0.2
448.26334	0.2
536.77539	0.2
817.47058	100.0
818.47375	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	818.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.8
57.07059	2.1
60.70255	0.5
61.02918	1.2
65.03934	0.6
67.05495	1.5
68.99789	0.9
69.03419	1.9
69.07066	4.5
70.50278	1.1
73.02885	0.7
75.36040	0.5
79.05502	0.6
81.03407	0.8
81.07037	2.0
83.04986	3.3
85.02897	11.8
85.06532	1.4
89.52084	0.5
90.09504	0.5
91.03943	0.8
91.05471	1.2
93.03397	1.6
93.07021	0.6
93.57283	0.5
95.04929	0.6
97.02906	3.5
99.04409	0.6
101.34555	0.6
107.04958	3.0
107.08588	0.7
109.02861	1.3
109.55884	0.5
111.04432	5.8
117.07012	1.8
119.08607	0.5
121.06498	1.4
121.10159	0.7
123.04410	1.4
123.11716	0.8
127.03904	4.6
131.04904	2.2
131.08522	0.8
135.04424	0.7
135.08031	1.3
139.03896	32.0
140.04250	0.5
141.01866	0.6
142.02573	0.8
145.02856	0.5
145.04971	4.4
145.06441	6.1
147.04405	0.8
149.02179	0.6
149.05968	4.6
155.03386	18.8
156.03766	0.9
159.04430	4.6
159.08092	1.2
161.05980	1.0
163.03877	3.4
163.06026	2.2
163.07535	6.2
165.05461	1.3
167.03354	5.8
167.07008	0.8
169.04962	5.9
170.02104	3.0
171.02837	1.0
173.05966	4.2
173.13225	1.0
177.05453	9.8
177.09052	0.9
179.07008	3.1
181.04953	9.0
183.06531	0.9
185.04443	75.5
186.04773	1.2
187.07521	2.1
191.07019	29.4
192.07385	0.8
193.08746	0.5
194.41959	0.5
195.06520	31.0
201.09024	0.7
201.12735	2.3
205.08603	2.4
209.08133	2.5
211.11304	0.6
219.13783	7.5
221.07808	0.5
229.12228	6.4
237.14786	3.2
247.13286	17.3
249.11269	2.1
265.14337	100.0
266.14667	2.8
279.15778	1.8
283.15601	2.5
290.80615	0.6
297.16940	32.3
298.17255	1.0
314.16769	0.9
315.18011	26.3
316.34470	0.5
325.11285	1.0
372.97855	0.5
380.15540	0.5
457.30429	0.5
481.32388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
57.07077	1.7
61.02905	0.9
65.03926	0.9
67.05492	1.1
68.99775	0.7
69.03417	2.0
69.06771	0.4
69.07070	4.2
69.79829	1.0
71.04965	0.6
79.05476	0.8
81.03410	0.9
81.07053	1.5
83.04615	0.3
83.04987	2.9
83.08595	0.4
85.02406	0.6
85.02902	10.6
85.06525	1.3
87.04491	0.3
91.05472	1.2
93.03385	1.4
93.07030	0.6
95.08624	0.3
97.02892	3.2
98.23416	0.5
99.00823	0.4
99.04449	0.6
103.05470	0.5
105.06996	0.4
107.04958	2.8
107.08581	0.5
109.02874	1.4
111.04436	5.8
112.71585	0.3
113.02303	0.3
115.05430	0.5
117.07006	1.9
118.37543	0.3
119.04899	0.7
121.06491	1.2
123.04421	1.4
123.11751	0.3
127.03910	5.9
128.04211	0.7
129.06993	0.5
131.04938	3.3
131.08553	1.2
133.06537	0.3
135.04388	0.5
135.08041	0.6
137.06006	0.4
139.03893	35.0
140.04202	1.2
141.06931	0.3
142.02560	0.8
145.04955	4.0
145.06467	6.9
145.10182	0.5
147.04416	0.9
149.02274	0.5
149.05965	4.4
151.03903	2.1
152.04163	0.4
153.05418	0.7
155.03383	15.1
155.08646	0.4
156.03754	0.6
157.04982	0.4
159.04410	5.1
159.08044	1.2
161.05957	1.2
163.03918	3.7
163.06027	1.9
163.07535	6.0
165.05417	1.6
167.03386	4.3
167.07022	1.0
169.04953	3.0
170.02084	2.9
171.02856	0.8
173.05986	4.6
173.13260	0.7
175.03871	1.2
177.05460	10.8
177.09087	1.2
178.06201	0.4
179.03441	1.1
179.07018	3.3
181.03484	0.6
181.04964	7.6
181.08542	0.5
183.11673	0.5
185.04440	59.1
186.04816	1.1
187.07561	1.9
187.11122	0.4
191.07016	31.4
192.07428	0.5
195.06519	31.8
196.06827	0.5
201.09027	0.7
201.12704	2.3
203.03407	0.3
205.08583	1.9
207.06612	1.6
208.06842	0.6
209.08070	2.7
219.10199	0.6
219.13817	6.3
229.12224	7.5
237.14835	4.2
247.13297	19.0
257.04456	0.4
263.05444	0.8
264.05856	0.3
265.14334	100.0
266.14615	2.0
279.15927	1.1
283.15399	0.6
287.05511	1.3
288.05862	0.7
289.06903	0.6
290.07318	0.5
297.16940	41.2
298.17255	1.2
299.05475	0.4
300.05850	0.4
315.18008	9.6
316.48880	0.3
317.06558	0.8
318.06854	0.5
325.11218	0.7
423.21530	0.4
425.09067	0.5
426.09128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.55745	0.7
61.02923	3.6
65.03930	1.0
67.05501	12.1
69.03432	3.1
69.07071	3.9
71.05009	1.0
73.02908	1.3
79.05497	13.1
81.03426	1.2
81.07056	9.6
83.04990	2.1
83.08620	8.6
85.02895	4.2
85.06553	0.7
91.03957	2.0
91.05475	10.4
93.07050	6.9
93.90524	0.7
95.04951	1.9
95.08606	3.6
97.02914	1.8
97.06505	1.1
97.10165	15.2
97.10748	1.1
103.05467	4.9
105.04498	0.7
105.07014	8.5
107.04947	1.6
107.08582	9.3
109.01688	0.8
109.06519	1.7
109.10155	2.7
111.08057	1.3
115.05471	2.6
116.72012	0.8
117.07009	21.3
119.08591	5.8
121.06520	1.7
121.10135	1.9
123.11619	0.8
125.09634	15.2
127.03923	0.8
128.06215	1.5
129.07004	8.2
129.07874	1.0
131.08568	14.5
133.06480	2.3
133.10161	2.4
135.08046	3.3
141.06982	5.0
143.08560	4.0
145.05000	1.0
145.06491	3.7
145.10109	3.7
149.09669	3.0
153.09091	1.7
155.08578	5.2
157.06532	1.6
157.10088	2.2
159.08029	1.9
159.10330	0.7
159.11714	2.0
166.66542	0.9
167.08575	1.4
169.10167	4.8
171.08070	1.5
171.10370	1.2
171.11766	2.4
173.13239	1.0
177.74951	0.8
179.08545	0.9
181.10120	0.9
183.08102	0.9
183.11757	0.8
187.14830	4.2
189.11226	8.5
195.11694	1.0
197.13304	7.2
199.11246	1.2
201.31331	0.9
209.13364	1.1
213.12724	2.8
215.14307	19.6
221.13283	1.0
223.11180	1.2
227.12720	12.7
227.14653	0.9
233.15320	0.8
237.12852	0.9
241.12152	1.2
245.13809	1.1
251.14272	1.1
253.15862	1.1
255.13818	0.8
259.13593	0.8
281.83966	1.0
339.23370	1.7
349.21683	3.2
367.22638	6.5
385.23837	4.2
403.24796	1.5
441.26343	40.0
459.27399	100.0
460.27286	3.7
477.28394	10.0
568.83813	0.8
621.31952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	15.3
65.03928	2.1
67.05508	23.7
69.03450	2.5
69.07065	11.3
69.07548	10.4
70.38877	1.6
71.04984	5.7
73.02927	1.8
79.05500	27.4
81.03421	79.9
81.07064	29.7
83.01350	7.0
83.04996	16.1
83.08627	23.1
85.02906	3.9
85.06549	2.3
91.05481	24.2
93.07050	25.7
95.04976	26.3
95.08614	12.5
97.02892	6.7
97.06525	6.9
97.10162	13.0
99.04461	3.4
101.16294	2.0
105.07050	16.7
107.04960	14.3
107.08604	14.9
109.06542	10.2
109.10169	9.8
111.04440	7.5
111.08073	6.6
117.07026	9.9
119.08598	21.3
120.08926	1.6
121.06501	7.4
121.10151	13.9
123.04413	1.9
123.08083	9.5
125.06025	2.2
125.09625	8.9
125.36531	2.0
129.07024	11.4
131.08554	11.2
133.06459	3.2
133.10130	7.8
135.08038	5.9
135.11667	10.8
137.09583	5.9
142.07797	2.6
143.08569	3.7
145.06540	2.1
145.10110	13.9
147.08057	7.3
147.11707	6.2
149.06030	1.8
149.09578	4.9
149.13338	2.1
153.09195	2.0
153.12746	4.2
155.08623	2.5
157.10156	9.4
159.08015	6.0
159.11723	2.1
161.09636	2.9
163.11179	20.8
165.12790	2.2
173.09624	6.8
175.11189	6.7
181.12234	5.4
183.11639	2.3
189.11191	2.2
191.10616	4.1
193.12277	20.1
195.94205	1.6
209.11641	6.7
211.13229	2.3
227.12685	12.5
267.15912	96.2
269.17459	1.9
271.17053	4.4
283.15414	18.0
289.14926	2.0
289.17892	9.9
307.19067	5.1
335.79172	1.7
345.20520	3.8
363.21579	3.8
381.22723	37.1
383.22336	4.8
401.23135	5.0
457.26089	11.9
461.28790	8.8
475.26938	100.0
476.27292	4.1
493.27921	4.1
529.32190	2.4
537.31995	4.7
555.33136	24.1
573.34253	81.1
574.34235	3.1
589.27814	2.0
668.96606	2.0
820.39459	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	822.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	14.5
57.07074	2.2
59.04996	5.6
61.02934	4.1
65.03937	2.5
67.05505	100.0
69.03423	5.9
69.07065	11.9
71.01344	4.3
71.04995	14.6
71.43392	1.1
73.02917	3.0
79.05493	25.2
79.05950	1.5
81.03419	12.2
81.07057	58.6
83.01379	1.1
83.04977	9.8
83.08620	15.0
85.02903	19.4
85.06553	7.3
87.04467	7.2
91.03941	2.4
91.05479	23.3
93.07047	17.0
95.04971	6.9
95.08614	15.9
97.02877	5.8
97.06525	6.5
97.10170	16.7
99.08121	1.4
103.03957	2.0
105.07046	9.9
107.04958	4.6
107.08591	16.3
109.02912	0.8
109.06506	3.5
109.10159	71.3
109.78223	0.7
110.10456	1.1
110.86595	0.8
111.04431	2.7
111.08105	5.0
111.08752	0.8
113.06009	1.4
117.07029	3.5
119.08569	11.7
121.06525	1.4
121.10120	5.8
123.08070	3.1
123.11711	5.4
125.09630	17.9
127.03917	1.1
129.05482	2.6
129.06975	1.7
131.08563	5.2
133.10123	9.3
135.08064	1.6
135.11678	5.0
137.09602	3.9
143.06897	0.8
143.10625	2.8
145.10107	6.4
147.11694	2.2
149.02444	0.9
149.13274	2.2
151.11171	3.6
153.12756	3.7
155.10658	6.4
157.08652	1.0
157.10101	1.2
159.11678	1.6
163.11172	10.0
165.12787	0.9
169.12248	2.0
173.09633	2.8
173.11717	23.8
175.11177	1.3
177.12805	1.2
181.12250	3.0
181.24272	0.8
187.13290	4.1
189.11314	1.4
191.10696	3.5
193.12242	2.8
195.13809	1.0
199.13266	7.4
201.15015	1.2
209.11719	8.4
211.13188	1.3
227.12753	7.0
229.14351	55.2
230.14667	1.4
243.15958	0.9
255.15845	1.1
257.13855	2.1
257.17346	1.5
267.15991	1.9
269.17523	4.6
283.15329	2.8
297.16931	1.3
301.16440	11.7
301.20074	10.2
367.24750	1.6
371.24197	1.5
373.18466	13.2
383.24228	6.4
397.20709	0.9
397.25839	16.3
399.23657	6.1
423.27271	1.9
435.27078	1.6
451.26675	2.6
455.30835	4.7
469.28024	6.5
479.15585	0.9
527.28308	12.4
541.33533	1.1
567.35278	21.6
593.36475	3.5
625.39551	27.2
626.40588	1.1
643.36615	2.4
822.41156	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	15.0
57.07072	2.6
59.05002	5.4
61.02912	4.7
65.03949	3.2
67.05502	100.0
68.05827	0.8
69.03450	4.1
69.07066	12.6
69.23906	1.4
69.24316	2.9
71.01350	3.7
71.04984	7.7
73.02918	4.7
79.05490	24.3
81.03419	15.2
81.07056	38.8
83.01317	1.4
83.04983	10.4
83.08615	17.3
85.02902	22.8
85.03417	1.3
85.06543	5.0
87.04467	9.0
91.03968	1.0
91.05481	17.4
93.06454	1.4
93.07042	16.7
95.04971	5.8
95.08601	14.8
95.89133	0.8
97.02870	5.8
97.06521	4.5
97.10168	22.4
98.22710	1.8
99.04456	1.0
99.08111	1.3
101.06029	1.1
103.03915	1.2
104.63975	0.8
105.04478	0.9
105.07034	8.5
107.04957	4.9
107.08593	15.4
109.06516	3.8
109.10155	79.0
110.98743	0.8
111.04446	1.8
111.08101	3.5
117.07019	3.6
119.08572	10.7
119.55079	0.9
121.06465	1.5
121.10134	5.4
123.04408	1.2
123.08080	2.3
123.11700	1.5
125.09626	22.5
129.05518	2.4
129.06996	1.9
131.08598	3.6
132.45578	1.0
133.10155	3.3
135.08008	1.2
135.11682	5.1
137.09590	5.5
143.10674	3.8
145.10088	4.8
147.08006	1.5
147.11754	1.4
149.09610	1.5
149.13345	1.1
151.11214	1.7
153.12700	4.2
155.10666	6.1
157.08621	0.9
163.11163	12.5
173.09601	1.9
173.11723	24.9
181.12302	3.0
189.11201	1.7
191.10728	3.6
193.12256	2.4
195.13852	1.2
199.13272	9.6
209.11732	8.6
211.13399	1.0
213.30954	0.8
227.12830	7.8
229.14334	77.2
230.14767	1.1
257.13821	2.4
267.15961	2.9
269.17487	2.4
283.15430	2.7
299.98752	1.1
301.16568	14.1
301.20163	2.6
344.41705	0.8
367.24673	0.9
371.24289	1.5
373.14182	1.4
373.18591	15.3
383.24335	8.9
397.25970	2.5
399.23795	3.7
403.19476	1.0
423.27258	1.5
455.25940	2.0
455.46848	1.0
469.28049	1.8
527.28485	18.4
534.27875	0.9
545.29565	2.2
567.34839	4.3
578.22894	0.9
625.36597	7.6
643.36853	4.3
822.43939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	5.8
67.05505	21.6
69.07063	8.9
73.02915	2.6
79.05499	14.5
81.03426	2.3
81.07062	29.9
83.08625	7.6
85.02898	4.6
91.03956	3.7
91.05488	7.6
93.07045	21.3
95.08588	8.0
97.06541	3.4
97.10181	2.5
105.07056	5.0
105.69045	2.5
107.08603	13.8
119.08555	3.9
121.10172	5.6
122.48693	2.2
131.08578	3.9
133.10098	6.1
135.11653	3.8
149.13206	12.3
159.11691	4.6
195.13820	4.4
215.31216	2.2
269.17493	22.3
383.79379	2.0
407.50195	2.6
419.22583	2.3
445.29541	11.1
450.03250	3.1
463.30524	100.0
464.30841	4.6
489.94934	2.9
607.34668	5.7
620.04254	2.5
719.19202	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.5
57.07050	0.7
59.03441	0.3
59.04961	0.6
61.02925	3.3
65.03889	0.8
67.05502	29.6
67.21682	0.3
69.03401	0.9
69.07065	10.1
71.04990	3.0
71.08592	0.3
71.53702	0.3
73.02908	1.7
74.89779	0.3
77.03951	0.3
79.05492	15.9
80.05788	0.5
81.03419	2.9
81.07054	37.9
83.04982	3.8
83.08617	7.5
85.02907	3.6
85.06539	3.0
87.04399	0.5
91.03964	2.4
91.05476	8.9
93.07040	29.4
95.04970	3.8
95.08042	0.6
95.08599	9.4
97.02892	1.6
97.06529	6.7
97.10118	1.4
99.08096	2.0
104.88081	0.3
105.04475	0.6
105.06464	0.3
105.07026	4.4
107.04936	0.7
107.08592	16.4
109.05849	0.3
109.06543	1.8
109.10146	3.2
111.07446	0.4
111.08077	4.5
111.11667	0.4
113.05965	0.5
113.09604	0.5
117.07014	4.0
119.08580	2.2
121.06467	0.6
121.09279	0.6
121.10139	10.5
123.08054	0.9
123.11674	1.2
125.09574	1.2
127.03904	0.7
127.07491	0.5
129.06953	0.4
131.08577	4.6
133.09354	0.3
133.10126	4.0
135.08002	0.9
135.11681	4.9
137.09569	0.6
139.11157	1.1
143.08539	0.6
145.04944	0.9
145.10088	0.9
147.08041	0.3
147.11696	1.6
149.09641	0.7
149.13252	18.7
150.13474	0.3
151.11134	0.6
153.09166	0.4
157.10083	0.7
159.08102	0.5
159.11685	9.0
163.06001	1.0
163.11142	0.6
167.14236	0.4
173.04689	0.3
173.09576	0.6
175.11270	0.4
177.12733	3.4
184.07126	0.4
195.13803	5.6
213.14752	0.7
227.12762	0.8
229.14313	1.0
267.15851	1.4
269.17456	45.7
270.17871	0.9
276.16788	0.4
278.50656	0.3
283.15402	0.4
289.18015	0.4
301.16583	0.4
301.19867	0.5
316.54218	0.3
383.24002	0.4
445.29630	0.6
463.30524	100.0
464.30948	3.4
477.28418	0.7
549.34418	0.5
557.35040	0.9
575.35730	1.1
589.37347	0.6
607.36230	1.8
625.36102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	19.8
57.07079	2.2
59.05008	6.9
61.02919	3.5
65.03934	4.8
67.05505	100.0
69.03438	9.5
69.07068	40.6
69.60261	4.5
71.01340	2.4
71.04640	1.4
71.04996	16.3
73.02920	2.0
77.03934	1.4
79.05494	55.6
81.03417	86.4
81.07058	65.1
83.04985	14.5
83.08618	27.9
85.02901	7.5
85.06539	5.7
87.04459	3.2
87.64110	1.4
89.93893	1.2
91.05477	58.5
93.07047	51.3
95.04353	1.3
95.04967	38.8
95.08611	40.8
97.02897	7.4
97.06535	18.0
97.10172	17.9
99.04464	2.1
99.08095	2.4
103.03989	2.4
105.04500	4.4
105.07024	39.8
107.04951	17.0
107.08593	27.8
109.02878	2.9
109.06511	9.3
109.10155	44.4
111.04452	3.5
111.08086	11.1
113.09607	1.7
115.18674	1.2
117.06264	2.2
117.07030	14.5
118.70740	1.3
119.08585	33.9
121.06494	6.9
121.10132	21.3
123.08075	8.6
123.11704	5.4
125.06009	1.4
125.09638	13.0
127.03893	1.9
128.06204	2.6
129.07016	16.0
131.04944	1.7
131.08571	23.1
133.06506	5.8
133.10127	23.3
135.08067	6.8
135.11681	11.6
137.09616	13.1
139.11176	1.8
141.06963	2.3
142.07785	3.1
143.08575	4.8
145.06528	3.0
145.10110	15.5
147.08041	7.3
147.11694	15.4
149.09619	21.2
149.13261	5.2
151.11172	4.5
153.09122	2.4
155.08514	3.5
155.10692	3.1
157.10143	14.4
159.08008	2.8
159.11696	8.1
161.09608	3.6
161.13229	3.0
163.11176	12.7
165.12779	2.7
167.10698	1.9
169.10146	4.1
171.11703	4.5
173.09654	3.6
173.11758	13.4
173.13260	3.0
175.11169	11.3
177.12805	3.1
179.14279	2.9
181.12267	4.2
183.11694	2.5
184.07341	1.6
185.13289	4.0
187.11327	1.5
187.13283	2.2
189.11263	5.1
189.12755	2.0
191.10695	3.6
193.12251	31.7
195.11797	1.8
195.13824	4.3
199.13280	2.9
203.14360	1.5
205.12297	3.1
207.13739	1.9
207.76355	1.3
209.11723	2.4
211.13251	6.2
213.12837	1.7
219.13863	2.0
223.13208	3.1
225.12904	1.5
225.14822	6.0
227.12761	10.3
227.18176	1.7
229.14343	42.3
231.13794	1.4
231.17325	1.4
235.13298	2.2
241.14452	2.0
243.15979	4.4
247.20705	1.7
249.14809	4.5
253.14365	2.6
255.15979	4.5
257.19046	2.7
259.15652	1.6
263.20126	1.8
267.15903	80.3
269.17593	5.2
273.14987	1.2
273.18533	3.5
273.73615	1.5
275.20081	14.2
283.15421	2.2
285.16898	3.6
291.19571	5.5
293.21222	1.8
301.16760	2.2
305.31516	1.3
315.18271	1.5
329.21030	6.2
331.22781	1.5
349.23724	16.9
365.23438	3.5
383.24255	2.4
391.24683	1.6
397.25784	2.1
403.24741	4.4
409.25580	1.8
421.25806	26.4
423.27496	6.3
435.27637	6.6
445.29791	2.5
447.27463	24.5
455.30283	3.4
459.27795	2.3
461.28818	4.8
467.31134	2.0
477.28107	1.8
541.35236	32.5
542.35425	1.8
557.34613	3.9
559.36365	9.8
607.34375	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	14.3
57.07071	2.8
59.05008	4.5
61.02934	4.0
62.71077	0.6
65.03940	2.4
67.05505	100.0
68.05838	1.0
69.03436	4.4
69.07070	9.5
69.52306	2.4
71.01363	3.0
71.04991	16.0
73.02905	3.7
78.75387	0.6
79.05493	23.6
79.05953	1.3
81.03423	10.6
81.07057	63.2
82.07417	0.6
83.01382	1.0
83.04986	8.8
83.08622	15.5
85.02907	17.8
85.06544	8.2
87.04483	5.4
91.03950	2.1
91.05479	20.7
93.07047	19.1
95.04972	6.7
95.08608	16.1
97.02888	5.2
97.06523	6.1
97.10175	15.7
98.07336	0.7
99.04490	0.9
99.08105	1.9
103.03967	1.3
103.05500	0.7
105.07030	9.9
107.04977	2.9
107.08600	18.0
108.08967	0.6
109.02910	0.8
109.06521	2.9
109.10155	69.4
110.10457	1.0
111.04501	1.3
111.08083	4.9
116.04706	1.0
117.07030	4.0
119.08587	8.8
121.06505	1.2
121.10147	6.8
123.08112	2.2
123.11703	7.2
125.09631	14.7
127.03941	1.1
129.05496	2.0
129.07022	1.5
130.07800	0.8
131.04892	0.6
131.08569	3.5
133.10117	10.0
135.08078	1.9
135.11696	6.8
137.09636	4.4
139.11270	1.0
142.07768	0.6
143.10690	2.3
145.10146	4.6
147.08015	0.9
147.11691	1.6
149.02332	1.2
149.09608	1.8
149.13263	2.7
151.11201	5.3
153.12762	2.6
155.10683	5.4
157.08679	1.0
157.10173	1.0
159.11684	2.3
163.11174	8.7
165.12828	0.7
169.12241	1.1
173.09595	1.3
173.11732	22.9
175.11209	1.0
177.12712	1.2
181.12259	2.3
183.13835	1.9
187.13348	4.0
189.11337	0.8
191.10716	2.9
193.12292	2.6
195.13809	0.8
199.13254	4.9
201.14917	1.2
209.11757	5.7
211.13271	1.3
217.14368	0.9
227.12758	6.3
227.14326	0.5
229.14348	42.4
230.14752	0.6
243.16016	1.4
257.13953	1.3
257.17535	1.9
267.16064	2.1
269.17422	5.1
283.15515	2.9
297.17001	1.0
301.16553	9.1
301.20197	11.3
329.47574	0.6
367.24902	2.0
371.24496	1.4
373.18579	8.2
383.24152	5.7
397.25839	22.0
398.26276	1.2
399.23804	6.2
411.27664	1.4
423.27646	3.4
435.27502	1.6
442.58514	0.8
443.30240	0.8
451.27011	3.0
455.30762	5.8
469.27841	7.9
495.29730	1.7
527.28082	8.9
545.31329	0.8
562.06964	0.8
567.35278	24.4
568.35883	0.9
581.36969	0.9
593.36816	3.1
625.39532	31.5
626.39716	2.1
643.36835	1.6
673.72797	0.7
822.41241	1.4
823.45178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42608	0.5
69.29895	2.0
92.04848	0.5
103.68094	0.5
105.03381	0.6
177.05417	0.5
219.65399	0.4
367.11505	0.8
420.76035	0.5
423.23514	100.0
424.24213	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39901	0.4
59.43642	0.3
65.03941	2.7
66.59676	0.3
67.05499	1.5
69.03419	1.3
69.36142	0.9
69.36533	0.7
69.91821	0.4
71.04975	0.5
75.04485	2.1
77.03904	0.8
78.04708	1.8
79.05485	3.9
81.03413	1.3
82.04179	1.0
84.81668	0.4
85.02910	4.3
89.03921	0.8
91.00163	0.4
91.05474	6.9
93.03411	6.6
93.07039	3.6
95.04958	3.6
95.75351	0.4
97.02901	0.8
97.06556	2.4
102.04698	0.5
103.05473	12.3
105.03401	0.9
105.04517	0.9
105.07027	4.6
106.04169	12.6
107.04957	6.1
108.02103	0.9
109.06490	1.1
110.03665	1.4
111.04430	0.8
115.05465	3.8
117.03340	0.7
117.07028	2.2
118.04171	2.5
119.04945	1.2
120.05699	0.6
121.06506	14.7
123.04434	2.2
124.05202	1.5
125.05984	5.2
127.03941	0.8
129.06989	0.6
130.04167	0.7
131.03957	0.7
131.04932	11.9
131.08588	0.8
132.05702	1.2
133.02870	0.9
133.06494	4.9
134.03624	2.5
135.04428	1.1
135.08054	0.9
137.06000	3.7
138.03140	0.9
138.06758	0.7
139.07530	1.5
140.04651	0.5
141.07057	0.5
142.02473	0.5
144.06589	0.5
145.02884	1.2
145.04994	0.4
145.05376	0.4
145.06461	3.3
146.03613	0.5
147.04385	0.4
147.08070	1.3
148.05199	7.3
149.05986	24.5
151.03920	2.2
151.07529	1.3
152.04651	0.8
153.05476	4.0
153.09102	7.1
155.05978	0.4
155.07059	0.5
156.05710	0.6
157.06532	1.2
159.04477	0.8
159.08057	1.3
160.05197	0.7
161.05971	5.0
162.07637	0.9
163.03911	1.4
163.07541	13.3
164.04810	0.5
165.05447	1.4
166.06302	0.9
167.07036	33.5
168.07381	0.7
169.37210	0.4
171.06529	2.1
173.06023	4.0
174.06776	0.5
175.03903	0.4
175.07518	2.2
176.04675	1.3
177.03932	0.8
177.05481	14.2
177.09045	0.7
179.07089	0.9
180.08694	0.9
181.04959	40.4
181.08559	13.2
182.05296	0.9
182.08990	0.4
187.07552	1.8
189.05446	0.5
189.08958	0.4
190.06290	0.5
191.07027	47.6
192.07478	1.1
193.04893	1.0
193.08633	3.3
195.06563	2.6
195.08061	0.5
201.05446	0.9
202.06210	0.5
203.06978	2.1
205.08583	3.0
207.06493	1.4
207.08287	0.7
207.10211	1.2
208.08739	0.4
209.08084	100.0
210.08427	1.4
217.08617	1.4
218.07277	0.4
219.08168	0.8
219.10162	2.1
221.08063	0.9
225.07533	0.7
231.06500	0.5
233.08057	2.6
235.07458	0.9
235.09547	3.8
236.08203	0.5
237.09044	0.4
245.08125	0.9
247.07550	0.6
252.07878	0.6
263.09161	13.9
264.07547	0.7
265.08420	0.6
265.10883	0.5
266.71597	0.4
267.10022	2.8
279.06644	0.5
279.09985	0.7
297.11154	1.1
299.09152	0.5
299.12607	0.4
307.09622	0.7
325.10690	1.5
327.12167	0.5
329.10172	0.4
337.10669	0.5
339.12384	0.7
357.13254	4.2
359.14807	0.6
367.11716	1.0
369.13034	0.7
381.13464	0.5
385.12820	6.5
387.14221	0.6
399.14581	2.5
417.15430	16.6
609.23236	0.9
760.14355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	3.3
67.05486	2.8
69.03410	1.5
69.60799	2.8
75.04440	1.2
78.04691	1.0
79.05482	3.0
81.03414	2.6
81.07047	1.3
85.02894	5.9
91.05480	5.7
93.03410	6.5
93.07042	3.4
94.67861	0.7
95.04971	4.3
95.17585	0.6
96.05774	0.7
96.56527	0.7
97.02874	0.9
97.06523	1.6
98.22722	0.9
100.16714	0.6
103.05463	10.4
105.03395	1.0
105.04506	0.9
105.07018	3.7
106.04166	10.6
107.04963	6.0
108.85277	0.7
109.06507	2.1
111.04445	0.7
115.05434	3.9
117.03317	0.8
117.07001	2.4
118.04150	1.9
119.04919	1.3
119.08580	0.9
121.05634	0.8
121.06497	13.6
123.04427	2.0
123.08037	0.6
124.05227	1.5
125.05984	5.6
127.03932	0.8
130.04097	1.1
131.04935	11.6
131.08554	1.3
133.06496	4.4
134.03641	2.2
135.04417	1.1
135.08026	1.4
137.05951	3.5
139.03891	0.8
139.07515	1.4
141.06956	1.2
144.05626	1.3
145.06482	3.0
146.03603	0.9
147.08046	1.8
148.05183	6.4
149.05983	23.4
151.03879	1.9
151.07498	2.4
152.04680	1.0
153.05440	2.9
153.09088	5.3
159.08113	1.2
160.05183	0.9
161.05959	5.7
163.03886	1.3
163.07538	13.4
165.05412	0.8
167.07043	29.7
171.06500	2.8
173.06009	3.9
175.07518	2.4
176.04698	1.3
177.05481	14.7
178.06061	0.8
179.07085	1.2
181.04955	42.8
181.08556	12.7
185.49982	0.7
187.07539	1.7
190.06300	1.0
191.07027	46.7
192.07443	1.0
193.08646	2.1
195.06541	2.4
201.05472	1.5
203.07057	1.2
205.08607	2.7
207.06450	1.6
207.10144	0.9
209.08083	100.0
210.08427	1.3
217.08638	2.0
219.10184	2.8
225.07663	1.1
231.06383	1.0
231.17374	0.7
232.07175	1.0
233.08084	2.4
234.91908	0.6
235.07562	0.8
235.09694	3.2
263.09152	16.6
263.11838	1.5
265.08490	1.0
267.10120	1.7
271.09866	0.7
295.09402	0.8
297.11215	0.9
307.09525	1.0
313.10580	1.0
321.24207	0.8
325.10632	1.3
328.75223	0.9
357.13187	3.6
367.11856	1.1
369.13214	1.0
371.14713	0.7
371.95929	0.9
385.12820	6.5
387.14584	1.0
399.14377	3.1
417.15448	23.0
418.15912	0.8
461.64124	0.8
609.23291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.8
65.03926	1.6
67.05214	0.6
67.05508	5.9
69.03426	3.1
69.06775	0.5
69.07067	4.1
69.35368	2.8
79.05506	2.9
81.03413	2.0
81.07056	5.1
83.01353	1.1
83.08624	2.3
85.02907	15.1
91.05470	3.6
93.03404	2.2
93.07037	2.8
95.04949	1.3
95.08623	3.6
97.02909	5.4
97.06545	0.7
97.10175	2.3
98.23475	1.2
103.03951	0.8
103.05476	4.0
105.07034	1.8
106.04166	3.6
107.04951	2.7
109.02868	1.1
109.06509	2.2
109.10175	1.5
110.03630	0.9
115.05472	0.8
117.07044	1.4
119.04928	1.2
121.06503	5.3
123.04436	1.6
125.06007	3.0
127.03932	3.3
128.06125	0.6
131.04955	3.4
131.08577	0.7
133.06497	2.2
134.03676	0.6
135.08051	1.3
137.05978	100.0
138.06345	0.6
139.07605	0.7
145.02986	0.8
145.04974	5.4
145.06474	1.2
147.08070	1.2
148.05205	2.0
149.05966	6.7
149.09619	1.4
151.03905	0.9
151.07552	4.4
153.05489	2.8
153.09102	2.3
161.05980	11.7
163.06023	2.7
163.07520	19.5
165.09117	1.1
167.07034	9.6
171.06528	0.7
173.06006	0.8
173.09598	0.7
174.06718	0.8
175.07556	3.5
177.05515	5.5
177.09103	24.4
179.10703	1.1
180.08746	0.8
181.04955	17.5
181.08562	4.4
187.07573	1.7
189.09061	1.0
191.07036	14.1
191.10646	7.1
192.07388	0.8
193.08609	1.6
193.12143	0.9
195.06566	1.0
201.05484	1.2
201.09065	2.2
203.07007	4.7
203.10654	0.8
205.08600	0.9
205.12238	1.9
207.10101	0.8
207.13815	0.9
209.08083	36.3
210.08461	0.7
215.10559	0.8
217.08588	1.1
217.12421	0.6
219.10117	0.8
221.15266	0.7
227.07033	1.4
233.08151	1.4
233.15390	1.4
235.09705	1.6
239.28940	0.7
243.10167	1.4
245.08151	0.8
263.09131	6.8
303.23175	37.4
304.23663	1.1
321.24231	37.0
325.10944	1.4
325.21552	1.1
327.23209	5.6
345.24319	5.4
357.13223	2.1
369.24207	5.8
385.12784	2.0
387.14539	0.6
387.25388	5.0
393.24231	1.9
399.14410	1.0
411.25406	3.1
417.15518	8.2
429.26764	3.3
447.23843	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68811	1.8
59.04999	1.9
61.10670	1.7
65.03938	3.1
67.05505	76.1
69.03418	4.8
69.07072	19.5
69.28678	7.1
71.01368	2.1
71.04997	8.7
79.05494	42.6
81.03419	78.5
81.07057	54.8
83.04990	10.3
83.08624	27.0
85.02898	3.1
85.06544	5.5
86.97509	2.1
91.05482	44.3
93.07043	36.5
93.30315	1.6
94.86504	1.7
95.04973	30.9
95.08613	28.3
97.02911	8.0
97.06539	14.6
97.10162	15.7
98.23476	2.5
99.08109	3.6
105.04520	2.2
105.07038	31.1
107.04964	10.9
107.08600	29.7
109.06544	11.1
109.10159	42.3
111.04459	2.2
111.08089	11.2
113.60168	1.9
115.05412	2.1
117.07024	14.7
119.04935	1.9
119.08582	25.4
121.06491	7.8
121.10150	17.7
123.04450	2.0
123.08071	5.9
123.11714	4.6
125.09634	13.4
127.03932	1.9
129.07004	12.6
131.08578	18.2
133.06483	4.6
133.10146	23.9
135.08040	6.8
135.11714	10.3
137.09607	6.7
141.07010	3.2
142.07744	4.2
143.08571	4.7
145.06441	3.1
145.10124	15.5
147.08046	5.7
147.11702	16.7
149.09633	11.7
149.13240	8.4
151.11208	5.6
153.09178	2.4
155.08495	2.4
155.10699	1.9
157.10129	15.7
159.08081	2.2
159.11668	8.0
161.09639	5.2
161.13315	2.5
163.11234	7.9
165.12787	5.3
169.10127	3.2
171.11684	3.9
173.11717	10.1
173.13237	4.5
175.11217	12.5
177.12787	2.4
183.11798	1.8
185.13310	2.2
187.11154	2.1
189.11214	4.2
193.12239	29.0
195.13884	2.7
196.24179	1.6
197.13261	2.9
199.14847	2.0
205.15787	1.9
211.13232	3.5
215.14397	1.9
217.15942	3.1
227.12773	7.5
229.14339	47.6
249.14972	2.5
253.14302	1.8
255.15791	3.2
257.19193	2.1
267.15903	100.0
269.17502	9.1
275.20084	16.5
285.16937	3.0
293.21194	3.8
317.15982	3.6
317.20984	2.1
319.15463	2.0
329.20947	2.0
340.90704	1.8
349.23764	11.4
351.23233	2.1
352.89658	1.5
367.24799	16.7
369.24124	4.4
387.25159	2.4
403.24844	4.1
405.26666	1.6
421.25858	57.1
433.46344	1.9
443.27917	8.2
447.27106	5.7
459.27377	2.5
461.28949	53.6
465.28342	12.2
467.31610	4.6
471.26031	3.2
475.30710	2.1
479.29880	3.9
485.32434	2.5
493.31604	28.6
501.32373	2.3
511.28519	3.2
523.34210	3.3
541.22357	2.0
541.35315	50.5
547.28656	2.7
559.36273	52.7
560.36475	1.9
591.36902	5.0
605.33569	2.0
643.46667	1.7
662.32245	5.6
766.54614	2.0
789.73486	2.5
824.37219	27.0
825.38605	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	5.2
61.02924	3.5
65.03936	3.4
67.05505	100.0
69.03424	2.8
69.07073	9.5
71.01370	1.8
71.04992	23.3
73.02924	2.1
73.99715	0.8
79.05495	22.9
81.03426	7.0
81.07056	78.7
83.01361	0.8
83.04994	6.7
83.08620	12.8
85.02895	10.8
85.06550	9.2
86.09692	1.6
87.04476	4.0
90.47123	0.9
91.03970	1.6
91.05476	24.5
93.07048	18.0
95.04975	4.9
95.08608	11.5
97.02905	4.4
97.06526	5.7
97.10161	12.2
99.08075	1.7
103.03963	1.3
105.04526	1.0
105.07027	8.6
107.04959	2.2
107.08588	12.9
109.06526	2.7
109.10155	53.3
111.08089	3.7
117.07016	3.5
119.08602	4.9
121.06516	1.4
121.10155	5.8
123.08091	1.4
123.11713	10.9
125.09625	9.5
131.08571	5.1
133.10120	13.8
135.08055	0.9
135.11667	4.0
137.09613	4.4
140.21727	0.9
143.10701	1.9
145.10100	3.2
149.09691	1.0
149.13289	3.0
149.84866	1.0
151.11180	5.0
153.12752	2.6
155.10641	5.5
159.11740	3.2
163.11188	5.4
169.12314	2.1
172.50600	0.9
173.10237	1.6
173.11725	13.3
177.12799	1.7
181.12300	1.3
183.13751	2.4
184.07333	6.3
187.13292	5.6
191.10631	1.9
193.12302	1.9
195.13826	2.3
199.13254	3.0
209.11737	4.2
211.13470	0.9
217.16254	0.9
227.12726	4.9
227.16982	0.9
229.14339	21.5
243.15958	2.2
257.14063	1.1
257.17435	2.8
267.15918	2.0
269.17474	6.5
283.15457	2.3
301.16495	6.4
301.20132	15.2
327.21964	0.9
367.24808	3.2
373.18649	2.5
383.24380	1.3
397.25845	40.4
398.26175	1.5
401.25354	10.9
411.27310	3.2
423.27271	3.6
443.30319	1.6
445.24316	1.0
451.27084	5.0
455.30075	10.5
469.27982	15.2
477.28424	1.1
495.29840	2.0
525.20660	0.9
527.32312	2.0
545.33282	1.1
569.36841	34.6
583.38165	1.7
595.38696	4.9
627.41022	48.7
628.41394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.5
65.03930	4.4
66.72692	1.3
67.05507	93.7
69.03426	8.3
69.06716	1.9
69.07070	32.8
69.09719	6.7
71.04987	6.2
71.08622	2.0
77.03919	1.6
79.05493	68.1
81.03414	10.3
81.07057	100.0
83.04990	11.9
83.08629	15.1
85.02895	5.1
85.06560	5.6
91.05478	46.7
93.07046	75.2
95.04970	14.7
95.08607	54.4
97.02886	5.1
97.06528	13.6
97.10170	5.4
99.04466	1.4
99.08100	4.1
105.04485	4.9
105.07034	37.4
107.04942	7.4
107.08588	42.8
109.02879	2.0
109.06554	7.3
109.10158	25.1
111.08084	5.3
115.05457	1.8
117.07015	14.6
119.08582	26.9
121.06501	4.2
121.10149	30.2
123.08060	5.4
123.11710	6.7
125.09615	3.0
127.03917	2.4
129.06982	5.8
129.59442	1.2
130.07764	1.9
131.08563	24.5
133.10139	23.9
135.08069	3.8
135.11688	25.2
137.09596	4.3
137.13301	1.2
141.06998	1.4
143.08554	5.2
145.05017	1.8
145.06490	1.2
145.10117	18.9
147.11664	13.4
149.09613	9.1
149.13255	18.8
151.11134	2.5
155.08504	1.7
157.10136	5.2
159.11690	16.6
161.09512	1.4
161.13248	4.6
163.11186	3.7
163.14825	2.9
165.12794	1.8
169.10146	2.3
171.11681	5.2
173.04456	3.0
173.11932	1.7
173.13252	8.3
175.14839	2.4
177.12740	2.9
179.14246	1.3
183.11665	2.7
185.13301	2.3
187.14891	2.3
191.14186	1.5
195.13878	4.0
197.13164	1.4
199.14926	1.6
201.16403	1.5
217.16046	1.2
219.17482	1.5
227.12732	2.2
229.14375	2.8
239.17931	2.1
243.21027	2.9
253.14368	1.3
255.15880	8.4
257.19055	4.7
259.20627	1.7
261.22122	8.7
267.15863	1.9
269.17487	22.3
270.11957	1.3
275.20041	17.8
293.21100	2.7
303.15945	1.5
309.20514	3.0
317.24625	2.3
331.22647	2.6
333.24133	1.6
335.25812	66.0
336.26053	2.1
337.27307	1.3
349.23672	14.4
367.24844	2.3
409.45303	1.2
413.22058	1.3
489.35565	1.6
515.37457	13.3
529.38898	48.7
569.41907	5.1
609.45099	16.3
627.46045	5.5
649.38367	1.5
816.67426	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.3
65.03947	3.2
67.05159	4.2
67.05508	64.8
69.03430	5.3
69.07069	23.6
69.09577	13.0
71.04987	2.5
78.85330	2.0
79.05492	50.7
81.07059	62.4
83.04994	2.9
83.08597	11.2
85.02908	6.1
85.06584	2.6
91.03948	3.5
91.05479	53.0
93.07043	53.0
93.93365	2.0
95.04962	11.2
95.08606	44.7
97.02926	4.1
97.06544	2.8
97.10185	8.1
105.04533	4.8
105.07034	52.7
107.08595	29.0
109.06494	3.1
109.10149	17.2
110.95187	2.1
111.08061	2.8
115.05425	3.1
117.07012	27.2
119.08592	44.6
121.06509	3.1
121.10133	23.7
123.08113	2.6
123.11684	3.9
125.09576	3.8
128.06232	2.5
129.07008	20.4
130.07782	3.3
131.08565	33.7
131.09462	3.7
133.10132	29.2
135.11670	15.0
141.07004	7.0
142.07805	2.9
143.08572	24.3
145.10138	31.5
147.11679	18.8
149.13243	6.1
153.07005	2.7
155.07497	2.4
155.08559	15.0
156.09410	3.9
157.10139	24.2
159.11674	21.5
161.13286	12.0
162.10326	2.5
163.14876	3.4
167.08591	5.0
169.10135	18.0
171.11696	13.0
173.13281	12.5
175.14850	5.4
181.10181	7.7
183.11691	12.2
185.13185	12.0
187.14873	6.5
189.16422	3.1
193.10068	2.7
195.11707	8.1
197.13261	10.9
199.14871	7.6
201.16356	3.4
207.11710	4.3
209.13281	7.9
211.14871	8.8
213.16481	5.4
221.13287	4.0
223.14822	6.3
225.16382	8.2
227.18076	3.2
229.19693	2.1
233.13297	2.5
235.14792	3.0
241.19646	3.2
249.16373	3.8
251.18059	2.3
257.18948	5.1
259.20593	8.2
269.13272	2.8
333.24353	9.1
339.23367	3.6
351.26321	2.5
447.32324	2.9
461.33795	2.2
485.32117	2.4
501.35397	3.2
515.36926	2.7
517.40546	10.7
527.37616	3.1
535.41370	3.3
591.43890	10.0
609.45135	100.0
610.45734	5.5
753.49060	2.3
764.99994	2.2
771.50079	4.4
824.52625	28.0
843.87256	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	825.4021
Annotation	Vincristine
Peak:m/z	Relative Intensity
59.05008	0.7
61.02924	0.6
63.90457	0.3
67.05505	6.6
68.05843	0.8
69.03434	1.5
69.07085	1.1
69.26969	1.9
71.01381	0.3
71.05000	1.1
71.08636	1.2
71.42383	0.4
73.02932	0.8
79.05495	2.7
81.03418	3.3
81.07056	4.2
82.03796	0.7
82.07406	0.5
83.04994	1.2
83.08626	1.5
85.02917	1.6
85.06541	0.5
91.05482	2.8
92.61880	0.3
93.07039	2.8
95.04967	2.6
95.08628	1.6
97.02922	1.4
97.06570	0.6
97.10204	0.9
98.22685	0.8
99.08120	0.9
105.07023	1.7
107.08630	1.6
108.08995	0.4
109.06559	1.0
109.10172	2.9
110.10493	0.4
111.08091	0.5
111.14540	0.3
117.07037	0.7
117.45537	0.4
119.08612	0.9
121.06559	0.6
121.10201	1.1
122.10498	0.4
123.11732	0.5
125.09679	0.6
127.03991	0.4
129.07089	0.5
131.08583	0.9
133.10170	1.3
134.10501	0.4
135.11725	0.7
137.09659	0.4
143.08563	0.4
145.10150	0.7
147.11627	0.7
149.02499	0.4
149.09627	0.8
151.11226	0.8
155.10783	0.4
157.10165	0.8
163.11255	0.7
173.11734	0.7
175.11151	0.6
179.22166	0.4
184.07407	0.4
191.10718	0.4
192.11374	0.3
193.12187	1.7
195.13770	0.4
211.13406	0.4
229.14299	3.0
230.14630	0.5
254.91536	0.4
267.15900	2.3
268.16342	1.0
291.16278	0.4
365.23483	0.4
373.11594	0.4
413.18155	0.4
421.26059	0.4
424.27966	0.4
436.53195	0.6
449.00116	0.4
465.21481	0.6
472.04575	0.3
517.20404	0.5
544.37323	0.7
565.23871	0.7
610.36768	0.6
637.31934	2.9
655.28210	0.6
681.29089	0.9
721.37848	1.3
730.96338	0.4
747.38751	0.9
825.40283	100.0
826.40588	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	825.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89026	0.9
61.02941	4.5
67.05511	5.0
69.03449	1.6
69.07079	1.7
71.04984	1.6
73.02921	2.7
79.05500	3.9
81.03437	4.9
81.07050	6.7
83.04967	1.2
83.08630	1.4
85.02928	3.6
91.03968	3.6
91.05492	3.0
93.07067	3.3
95.04965	2.1
95.08615	2.4
97.02901	4.4
97.06544	1.7
98.22714	2.2
99.04470	1.1
101.02380	1.4
101.43497	0.9
105.07051	3.2
105.29967	0.9
105.57079	0.9
107.08616	2.5
109.06590	1.3
109.10178	2.4
113.06061	1.3
114.23228	0.9
119.08607	1.7
121.10168	2.5
125.09650	1.0
127.03973	1.4
129.05527	1.9
129.06996	1.0
131.08592	1.5
133.10196	2.2
145.10052	1.2
147.11713	1.4
149.09615	2.7
156.70575	1.1
175.11125	1.1
176.11797	0.8
184.07321	1.1
185.04251	1.6
193.12331	3.4
238.33954	1.0
243.08444	5.2
251.12758	0.9
267.16071	3.1
283.15186	5.3
289.14227	1.0
301.09048	6.9
315.10739	2.5
369.15244	1.8
371.16772	1.2
373.11295	1.4
381.18909	1.6
385.18369	1.3
407.97238	0.9
427.19370	1.9
429.17441	1.0
439.19574	3.8
443.18701	1.2
467.18781	1.3
501.23102	19.6
509.58719	1.1
529.22614	3.0
573.25208	8.7
587.26788	1.3
601.28418	1.1
615.30017	2.0
629.31390	3.8
643.33118	1.7
699.35431	10.2
700.36267	1.1
711.35614	3.1
727.34930	3.1
728.35718	23.3
728.47363	1.4
729.36005	1.4
825.42371	100.0
826.42633	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	826.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	2.0
61.02924	8.4
67.05505	45.9
69.03410	1.1
69.07071	3.5
70.94318	1.3
71.04984	2.2
71.08635	13.1
73.02907	2.5
79.05474	1.0
81.07056	12.4
83.08627	7.2
85.02908	11.0
85.06541	1.9
85.10195	7.6
91.03951	6.9
91.05473	2.9
93.07042	1.9
95.08608	12.5
97.02888	6.0
97.06503	0.7
97.10178	3.0
97.17086	0.8
99.04459	0.7
99.75489	0.7
107.08589	1.3
109.10157	53.4
111.08091	1.8
111.11765	1.1
115.04023	0.8
119.08573	4.2
123.11687	2.1
123.83340	0.7
127.03924	2.2
137.09615	3.4
145.04953	2.2
155.10655	4.0
163.05998	4.7
173.11717	14.2
184.07268	1.2
223.99644	0.7
229.14354	100.0
230.14606	1.2
239.23618	1.8
257.24698	2.1
313.27362	70.9
314.27618	1.4
335.25815	0.8
350.86890	0.8
358.26105	0.8
373.18604	1.1
467.37341	61.2
468.37769	1.5
769.03394	0.9
826.47693	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	826.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.9
61.02921	1.3
67.05494	2.1
69.03427	1.5
69.56562	0.8
69.56890	3.0
71.04989	1.5
73.02908	2.5
73.06553	4.0
79.05494	2.0
81.03416	1.4
81.07037	2.0
83.08635	1.0
85.02896	1.3
87.04471	32.0
89.06033	100.0
91.05473	11.2
93.07047	5.9
95.04958	2.8
95.08607	0.8
99.11744	3.7
103.05463	2.1
105.04532	1.9
105.07029	2.9
107.04946	2.4
107.07063	2.0
107.08588	4.3
109.06564	0.9
109.10176	1.6
112.07577	1.0
113.05962	1.2
115.64503	0.8
117.07043	3.7
117.09135	2.7
118.07819	4.5
119.04935	2.7
119.08551	4.8
120.40314	0.8
121.06516	15.0
121.10128	2.2
122.13652	0.8
129.05370	0.8
130.08661	1.8
131.07036	15.0
131.08528	1.6
132.09435	0.8
133.08607	68.7
135.08061	9.2
135.11696	2.5
137.09695	0.9
145.10123	1.4
147.08044	11.3
149.09608	2.8
150.06737	4.2
159.11638	0.9
163.11148	5.9
164.08296	1.4
165.09113	4.4
167.10684	2.0
173.11784	1.0
175.09692	10.6
177.11230	27.3
177.12766	2.0
179.10672	0.8
184.27896	0.9
191.10620	4.2
193.12268	3.2
209.11693	2.2
211.13341	4.0
216.76761	0.8
219.12274	4.0
219.17433	20.6
221.13814	6.5
233.19046	1.1
235.13290	2.9
237.13263	0.8
243.08453	1.1
245.18971	4.0
246.88708	0.9
254.84012	0.7
255.16032	4.0
261.22202	1.8
263.20050	29.2
265.16397	2.0
279.16055	1.9
283.17502	2.4
289.21689	4.2
299.18463	1.6
305.20972	1.4
307.22736	8.5
309.19040	1.0
327.20175	1.7
334.46451	0.9
353.21579	1.4
397.24576	1.1
413.17813	1.8
467.49557	0.9
485.23224	0.9
585.28735	3.3
655.27448	1.4
657.34418	3.4
723.38458	1.8
809.52277	6.5
826.56519	9.2
827.41119	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.5
65.03948	0.7
67.05502	5.2
69.03428	3.5
69.07077	1.4
71.01384	0.8
71.05003	1.1
73.02928	4.1
79.05494	2.1
81.03424	3.2
81.07053	4.9
83.04994	1.2
83.08634	1.7
85.02903	5.6
85.06573	0.6
85.18265	0.5
87.04472	0.7
89.37665	0.5
90.80090	0.5
91.03951	3.5
91.05469	3.0
93.07046	3.5
95.04997	1.0
95.08624	1.2
97.02895	4.9
97.06542	0.7
99.04475	0.7
101.02394	2.0
105.07040	1.8
107.08593	2.5
109.06558	0.6
109.10147	0.9
111.08083	0.6
115.50295	0.6
117.07062	0.9
119.08614	1.0
121.10153	1.4
123.08162	0.6
125.09638	0.5
127.03930	1.9
129.07031	0.5
131.08551	1.4
133.10138	1.6
137.09660	0.6
145.10101	0.9
147.08000	0.4
147.11688	0.5
149.13272	1.7
184.07346	0.9
193.12389	0.6
195.13835	0.9
203.05295	0.8
229.14455	0.6
235.13019	0.7
243.08490	1.6
269.17563	1.0
283.15274	0.9
291.15836	0.7
301.08920	1.1
347.09567	2.3
349.19904	1.2
365.10757	0.9
399.83002	0.5
405.13657	3.7
413.18024	0.6
453.20929	10.4
467.18585	0.7
501.23376	4.0
567.27887	2.7
615.26227	13.8
665.34534	3.5
737.37225	1.3
755.38055	0.8
781.39532	1.1
827.40973	100.0
828.41089	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	827.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61986	0.5
61.02933	7.3
65.03944	0.5
65.30241	0.6
65.97536	0.5
67.05510	6.9
69.03432	4.2
69.07081	1.0
70.52762	1.2
71.01365	0.7
71.05004	1.5
73.02924	3.9
79.05482	3.1
81.03417	2.5
81.07060	7.3
83.04983	0.8
83.08627	1.8
85.02907	6.3
87.02743	0.5
87.04474	0.6
91.03966	4.7
91.05501	2.2
93.07041	3.6
95.04984	1.4
95.08628	1.7
97.02901	5.5
97.06535	0.9
99.04480	1.1
101.02386	2.0
105.07029	0.7
107.08611	3.4
109.02899	0.8
109.10155	1.9
111.08116	1.1
119.08652	0.8
121.10174	2.6
124.99940	0.6
127.03946	1.9
131.08591	1.3
133.10197	1.3
135.08087	0.5
135.11703	1.1
145.04977	0.6
145.10155	0.6
147.11720	0.6
149.09708	0.8
149.13255	3.0
159.11671	1.0
177.12794	0.8
184.07367	0.9
185.04256	1.0
195.13841	0.7
203.05296	0.6
229.14287	0.7
235.13103	1.8
243.08406	2.7
267.15979	0.8
269.17535	1.6
289.68777	0.5
291.15839	0.8
296.20538	0.5
301.08945	1.0
347.09525	1.8
365.10608	0.6
405.13760	5.2
413.17865	1.4
425.30823	0.6
449.60257	0.7
453.20959	14.8
485.23886	1.2
501.23325	0.6
539.25049	0.7
615.26251	11.2
639.30280	1.7
657.30811	0.9
665.35138	3.5
755.37860	2.4
827.40649	100.0
828.41119	5.7
856.39825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	0.8
61.02924	7.6
62.24459	0.7
67.05502	14.8
69.03425	5.3
69.07066	0.8
69.08318	4.3
71.04992	2.8
71.93917	0.6
77.84442	0.6
79.05492	1.3
81.03384	3.6
81.07052	4.3
83.08614	2.3
85.02904	8.0
85.06548	1.1
86.09694	0.9
87.04442	0.8
91.03952	6.0
91.05490	2.5
93.07050	2.0
95.08620	2.6
97.02891	7.5
99.04465	1.4
101.02377	2.3
103.03938	1.2
105.07029	1.2
107.08584	1.9
109.02887	0.7
109.10157	14.7
111.08135	1.0
115.03928	0.8
119.08566	1.6
123.11706	0.8
127.03935	2.8
129.05505	1.5
133.10211	1.4
137.09647	0.9
141.74422	0.6
151.11206	0.8
155.10678	0.9
173.11716	5.6
181.04732	0.7
184.07312	0.9
185.04247	3.4
187.13412	0.7
189.05943	0.6
195.09973	3.8
199.05841	1.3
201.03726	1.4
203.05188	0.8
229.14378	4.5
243.08351	4.2
251.12518	1.5
267.15674	1.4
301.08908	5.8
315.10333	1.3
339.14267	1.2
360.10376	1.0
373.11066	1.9
385.18350	4.4
387.12805	0.7
413.17804	36.8
414.18396	1.0
423.23322	0.8
429.17404	2.5
444.19452	0.8
453.21042	1.1
457.20322	0.7
469.20413	2.6
473.19449	0.8
485.24197	8.7
501.23209	1.3
513.23004	1.3
527.24750	0.9
567.31366	0.8
573.21417	1.3
583.27740	0.9
585.28772	100.0
586.29181	3.6
611.30682	1.8
613.32043	4.3
625.31812	1.4
641.31610	5.5
657.34540	64.9
658.34540	2.5
685.38202	1.4
713.36597	2.3
723.35858	0.7
729.32800	7.1
755.37891	5.7
827.43195	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	827.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.2
67.05489	3.6
69.03424	1.1
69.07049	0.5
71.05000	1.1
73.02927	1.2
79.05487	1.2
81.03412	1.2
81.07063	1.6
83.08645	0.8
85.02903	2.1
91.03949	1.1
91.05494	1.4
93.07071	1.4
95.04996	0.8
95.08640	1.5
97.02891	1.0
97.06582	0.7
105.07035	0.8
107.08586	0.9
109.10172	2.3
119.08607	1.0
127.03906	0.8
127.17128	0.5
131.00174	0.6
133.08701	0.5
133.10147	0.9
143.00200	0.5
149.01234	0.6
162.17116	0.5
173.11761	0.9
184.07355	0.6
211.91562	0.6
229.14256	1.4
243.08414	1.2
267.09091	1.8
267.11954	0.5
267.15518	0.6
269.10712	1.2
285.10193	1.5
287.11526	0.5
293.05563	0.7
331.16205	0.6
348.98889	0.5
349.16830	0.5
406.08829	0.5
413.17868	1.7
469.20789	0.8
485.17337	1.4
501.23209	0.8
551.27832	0.6
639.30115	1.1
641.31354	6.0
657.31073	2.0
723.39264	3.4
725.37762	0.7
737.34900	2.9
749.40576	0.7
755.38239	2.8
781.42902	1.1
827.41833	100.0
828.41901	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	827.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.8
61.03176	0.5
65.89569	0.5
67.05503	4.3
69.03439	2.4
69.07088	1.8
69.09827	2.7
71.05011	1.7
71.76657	0.4
73.02922	3.2
74.24259	0.5
79.05474	3.7
79.38454	0.5
81.03423	4.4
81.07059	4.6
83.05002	1.1
83.08617	1.3
85.02904	4.0
91.03960	2.6
91.05475	3.8
93.07037	4.3
95.04979	1.2
95.08631	1.6
97.02894	3.7
97.06565	2.7
97.10182	0.6
98.22724	1.3
99.04460	0.6
101.02418	1.5
103.03892	0.6
103.70618	0.5
105.07069	2.1
107.08622	2.0
109.02903	0.7
109.10184	1.3
117.07061	0.8
119.08628	1.8
121.10175	2.2
127.03941	1.1
129.07079	0.8
131.08537	1.0
133.06445	0.6
133.10187	1.6
147.11720	1.0
149.09642	1.5
159.11775	0.8
170.27216	0.5
185.04292	0.7
193.12344	1.3
229.14369	0.7
243.08415	3.1
267.15988	1.1
283.15222	3.0
286.62561	0.5
319.18716	0.7
349.19882	5.5
399.71710	0.6
405.22375	0.7
413.18042	0.8
439.19382	1.0
453.21393	1.6
462.30655	0.5
469.20517	1.3
501.22937	10.6
567.27795	6.0
737.37427	1.6
755.38007	0.7
827.43787	100.0
828.43921	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	827.44
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.3
67.05506	11.7
69.03448	3.7
69.07087	1.1
71.05000	3.8
74.11306	0.6
79.05501	2.3
81.03441	2.8
81.07058	5.5
83.04995	0.9
83.08598	1.6
85.02913	8.0
87.04493	0.8
91.03967	4.1
91.05468	2.8
93.07060	2.1
95.08639	1.5
97.02893	5.8
99.04481	1.7
101.02383	2.2
103.03955	1.1
105.07044	0.5
107.08607	1.5
109.02900	1.8
109.10160	10.9
111.08123	1.1
119.08598	1.3
123.11739	1.3
127.03936	2.5
129.05521	0.9
131.08582	1.0
133.10155	1.5
145.04980	0.7
147.11763	0.6
149.13248	0.6
151.11238	1.0
155.10690	1.5
159.11827	0.9
173.11748	4.1
174.77737	0.6
177.42816	0.5
185.04230	2.3
195.10022	2.3
197.79179	0.6
201.03703	1.2
224.35954	0.6
229.14326	3.0
243.08450	4.8
251.12576	1.0
257.17557	0.9
265.14114	0.6
267.15683	3.4
301.08841	4.9
315.10678	1.0
365.19009	0.7
373.11279	2.3
385.18286	3.6
408.91867	0.6
411.19556	1.5
413.17798	27.4
413.23349	1.4
414.18134	0.8
429.17575	1.2
439.19818	0.9
441.21088	2.0
443.19141	0.8
444.19415	0.6
449.28708	0.7
453.21088	1.2
457.20654	1.1
469.20499	1.3
485.23843	13.8
501.23441	3.0
513.22815	0.7
529.22900	1.5
555.27881	0.7
557.25983	2.5
561.55261	0.7
569.32831	0.8
583.26807	0.9
585.28778	48.9
586.29431	3.1
611.30219	1.0
613.32178	3.4
625.31854	2.2
641.31500	2.8
657.34570	100.0
658.35010	4.3
683.35754	1.0
685.38727	2.9
713.36871	3.2
723.37659	0.7
726.41028	0.7
729.32605	3.4
755.38336	2.3
827.43787	18.2
828.43372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.9
67.05497	6.9
69.03431	2.8
69.07067	1.7
71.01337	0.7
71.04986	2.4
71.30381	0.6
73.02910	2.8
79.05482	4.3
81.03423	5.3
81.07053	6.1
83.08624	1.3
85.02898	6.3
87.04507	0.8
91.03941	4.1
91.05466	3.6
93.07049	3.4
95.04974	1.7
95.08612	2.0
97.02895	6.4
97.06547	0.9
98.23495	1.5
99.04445	1.7
100.08449	0.6
101.02390	2.0
105.07016	1.2
107.08605	2.1
109.02837	0.9
109.06515	1.2
109.10133	4.1
117.07008	0.9
119.08594	2.0
121.10124	1.0
123.11691	0.8
127.03954	2.2
129.06973	1.0
130.14365	0.7
131.08560	1.4
133.10141	1.7
135.11711	1.4
143.92784	0.6
145.04951	0.8
145.10144	1.0
147.11690	1.1
149.09648	1.8
157.10089	0.9
159.11671	0.9
173.11775	0.7
175.11244	0.8
184.07274	1.0
185.04141	3.1
193.12305	2.2
194.44492	0.7
201.07599	0.7
207.13554	0.8
209.93259	0.7
225.14955	0.7
229.14355	1.1
241.07051	0.7
243.08405	4.4
251.12651	0.9
267.15970	1.6
283.15176	8.5
301.08917	8.5
309.16840	1.8
315.03711	1.2
315.10504	1.7
323.18585	2.0
339.17798	1.2
357.15298	0.9
360.65994	0.7
373.11191	2.6
381.18784	4.2
385.18350	4.8
399.19882	1.2
413.17831	6.8
427.19397	4.5
429.16971	1.2
439.19327	4.7
441.20978	0.8
443.18848	0.9
453.20657	1.0
457.20441	1.3
457.34399	0.8
465.28500	2.0
469.20337	3.6
481.20450	5.2
483.22162	1.2
485.24072	1.5
499.21573	2.5
501.23129	22.4
509.16736	0.8
511.28665	1.0
517.22217	1.2
529.22601	9.6
545.22272	0.8
549.26398	0.7
551.28748	1.7
573.25159	7.0
583.31036	1.5
587.26703	1.6
601.28479	1.7
611.30841	0.8
613.32117	2.2
615.29669	1.2
629.31891	0.9
641.31482	1.1
643.32892	1.4
657.31116	2.9
673.33661	3.4
683.34381	1.1
697.33447	0.8
699.35681	9.7
703.30170	0.9
709.33704	0.9
719.23077	0.7
723.39063	18.0
724.40149	1.1
737.35162	1.4
741.36682	25.2
742.36987	1.3
755.37769	1.8
756.53033	0.9
763.31628	0.7
781.42096	0.9
809.42700	3.7
827.43890	100.0
828.44312	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	827.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.2
67.05506	10.2
68.05853	0.9
69.03438	2.8
69.07067	1.7
69.15442	2.7
69.15851	1.6
71.08630	0.9
73.02921	3.6
79.05490	4.0
81.03449	1.9
81.07055	6.1
83.08642	1.8
85.02908	5.0
85.06557	0.7
87.13327	0.8
91.03966	3.0
91.05495	3.2
93.07037	3.6
95.08595	4.4
97.02887	5.2
99.04451	0.8
101.02403	1.9
105.06998	1.9
107.08623	2.4
109.10156	5.5
110.10513	0.9
117.07019	0.9
119.08619	0.8
121.10160	1.6
127.03957	1.0
129.07092	0.8
131.08594	1.3
135.11752	1.2
137.09596	0.7
143.08594	1.0
145.10123	1.0
147.11697	0.8
171.79686	0.8
173.11746	1.1
185.04330	0.8
203.05386	0.8
229.14348	5.0
230.14793	1.8
243.08449	2.2
313.27353	3.2
314.27759	1.9
331.18805	7.1
335.25656	0.8
467.37512	1.7
468.37814	2.5
519.29266	4.2
549.26691	3.4
827.49139	100.0
828.50226	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	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.7
67.05495	4.8
69.03442	2.3
69.07074	2.1
71.08655	1.2
71.09644	0.9
73.02931	3.6
75.07407	0.6
79.05492	4.1
81.03422	2.0
81.07065	4.2
85.02907	3.7
91.03983	2.0
91.05481	4.2
93.07046	3.8
95.04978	1.2
95.08586	3.8
97.02898	2.6
101.02415	0.9
105.07037	4.2
107.04940	0.8
107.08607	1.9
109.02842	0.7
109.10148	3.3
117.07035	0.9
119.08621	2.9
121.10145	1.4
122.21069	0.6
125.09628	0.7
125.68773	0.6
127.03935	1.5
129.07057	0.6
131.08568	1.6
133.10159	2.6
135.11703	1.5
145.10153	1.0
147.11699	1.5
149.09502	0.7
159.11746	1.6
173.11757	0.8
173.38684	0.7
177.58794	0.7
179.14322	1.2
184.07367	1.5
185.04349	0.8
229.14450	2.5
230.14716	1.0
243.08395	4.4
266.30338	0.7
301.08893	1.0
313.27567	2.1
314.27859	1.7
315.10730	0.9
315.19287	5.8
317.20966	0.8
371.21936	1.0
465.21069	1.1
468.38135	2.7
514.16174	0.7
514.96063	0.7
525.21887	0.8
533.27271	9.4
535.28601	6.7
605.29602	1.3
691.21375	0.9
749.52246	0.8
827.49109	100.0
828.49573	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	828.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.8
68.99796	0.5
69.03438	0.4
69.07075	1.1
70.35180	0.4
70.35490	0.8
74.70647	0.4
79.05498	4.4
81.03404	1.0
81.07046	2.8
83.04985	1.0
83.08617	1.2
85.02928	3.1
91.05469	2.6
93.07041	4.8
95.04956	1.6
95.08601	2.4
97.02880	0.8
97.06522	4.1
101.34767	0.4
101.62400	0.4
105.07021	1.9
107.04972	1.2
107.08598	1.9
109.02856	0.6
109.06517	1.4
109.10154	1.4
111.04471	2.9
111.08056	0.9
115.05444	0.7
117.07030	1.5
119.04945	1.0
119.08543	2.5
121.02890	1.4
121.06525	0.9
121.10143	5.2
123.04417	4.3
123.08065	1.2
125.09628	0.6
126.62242	0.4
127.03928	5.2
131.04933	0.7
131.08551	1.4
133.02936	0.5
133.06454	1.3
133.10123	5.3
135.04466	0.6
135.08026	1.0
135.11668	1.6
137.05988	1.0
137.09598	0.5
139.03896	46.7
140.04263	0.6
145.04958	1.3
145.06482	0.6
145.10103	5.8
147.04385	2.9
147.08028	0.7
149.06004	2.3
149.07025	0.5
149.09599	1.2
151.03871	1.4
151.11172	5.0
153.05464	2.1
155.03383	15.1
155.04666	0.9
159.04443	1.5
159.08070	0.8
161.05983	4.7
161.09589	0.9
163.03905	12.8
163.06113	0.9
163.07565	2.8
163.11166	4.0
165.05472	7.0
167.03436	0.5
169.06467	0.4
171.02875	0.5
171.04364	0.6
173.05989	2.1
175.07530	1.4
177.05463	4.3
177.09138	1.6
179.03453	1.0
179.07028	12.8
179.08592	0.7
181.04906	0.5
187.07489	2.4
189.05466	4.7
189.09099	0.6
191.07040	5.0
193.04834	0.5
193.08580	4.5
197.13255	0.6
201.09125	0.8
203.07043	1.7
205.04944	2.3
205.08594	5.0
207.11694	0.4
211.07579	0.6
215.14349	0.7
217.08630	0.5
219.10219	0.5
221.04533	0.7
225.09024	0.6
225.12740	1.7
229.08638	0.6
233.15485	0.7
235.11195	0.8
243.13762	2.8
253.12321	3.4
261.14877	2.6
271.13260	10.4
289.11035	0.5
289.14331	21.5
307.15378	100.0
308.15805	2.3
325.16443	28.7
325.94714	0.5
331.15488	3.2
349.16461	2.4
355.15308	0.5
373.16492	4.8
379.15314	0.5
391.17575	4.4
397.16425	1.0
415.17355	1.9
433.18466	1.7
446.62805	0.5
451.19427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	0.5
61.02924	4.0
67.05502	4.1
69.03422	2.6
69.07094	1.9
69.70210	1.0
69.70567	1.1
71.05008	1.5
73.02902	2.4
79.05485	3.4
81.03429	4.0
81.07054	4.5
83.08648	1.6
85.02907	4.1
87.04486	0.6
91.03976	1.9
91.05484	3.1
93.07011	2.6
95.05001	1.8
95.08635	2.1
95.80305	0.5
97.02869	3.5
97.06543	0.6
97.10192	0.9
98.23515	0.6
101.02405	1.2
103.03968	0.6
105.07044	2.0
107.04922	0.6
107.08640	2.0
109.02881	0.7
109.10181	1.9
111.08111	0.7
119.08631	1.4
121.10205	1.5
125.09672	1.1
127.03985	1.6
129.07014	0.6
131.08604	1.3
133.10172	1.5
136.06223	1.4
147.11777	1.0
149.09685	1.7
157.10178	1.2
159.11755	0.6
173.11809	0.4
175.11227	0.9
184.07338	0.7
193.12325	1.3
225.14963	1.2
233.67696	0.5
243.08389	2.3
267.15912	0.5
271.70538	0.5
283.15179	2.9
287.27267	0.5
339.17792	0.6
351.21680	1.7
407.23709	0.7
413.17804	0.8
469.20999	0.9
501.23053	12.6
569.29242	10.4
641.31873	0.5
649.40216	0.7
667.40186	0.9
739.38458	3.6
829.45508	100.0
830.45844	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	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.2
67.05510	4.1
69.03426	2.2
69.07085	1.8
71.05000	0.7
71.22139	0.5
73.02911	3.6
78.77522	0.4
79.05495	5.3
81.03419	1.1
81.07053	4.2
83.08634	0.9
85.02908	4.4
91.03957	3.9
91.05476	4.0
93.07046	6.3
95.04991	0.6
95.08613	3.3
97.02896	3.5
99.04472	1.0
100.87439	0.4
101.02394	1.8
103.03957	0.4
105.07030	3.9
107.08614	3.6
109.02866	0.9
109.10159	1.0
117.07069	1.6
119.08590	3.6
121.10174	2.2
127.03948	1.5
129.05560	0.6
129.07053	0.9
131.08607	1.9
133.10143	2.9
135.11726	1.5
145.10193	0.9
147.11739	1.9
149.13347	1.0
159.11734	1.0
161.13287	1.0
167.07927	0.4
171.11678	1.0
185.04274	1.2
185.13269	0.6
198.55028	0.4
201.03931	0.5
203.05313	0.7
243.08443	4.9
259.20511	0.6
300.90176	0.4
301.09045	1.9
313.08902	0.6
315.10635	1.6
317.20795	2.0
331.96414	0.5
333.24487	0.5
341.11868	0.5
355.13593	0.7
357.15710	0.6
369.15280	0.5
373.11386	0.7
373.23605	0.6
385.18582	0.9
397.18658	0.7
429.25845	0.5
437.21829	0.7
465.21011	1.8
495.22241	0.7
517.27655	0.6
525.23151	2.0
535.28741	15.9
607.30951	2.0
621.32416	0.7
649.34979	0.7
677.39185	0.5
691.40314	0.5
829.50690	100.0
830.50848	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	5.4
69.03450	3.6
73.02946	4.2
81.07063	5.8
81.98683	3.0
85.02896	4.7
89.89484	3.0
97.02879	4.9
161.26207	2.7
177.11246	3.3
344.78079	3.1
421.60144	3.6
446.86899	3.6
455.78177	3.6
519.29486	4.7
551.28632	4.5
635.08459	3.3
829.50745	100.0
830.50452	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	830.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.5
65.03945	0.8
67.05209	0.4
67.05508	4.8
68.99796	0.8
69.03426	4.3
69.07067	5.3
69.13661	1.6
71.01347	0.6
71.04975	0.5
71.08637	1.6
73.02911	0.8
79.05496	2.4
80.19035	0.3
81.03427	2.2
81.06570	0.4
81.07054	7.2
82.06720	0.3
83.08607	2.0
85.02904	18.5
85.06532	0.3
91.03956	0.8
91.05459	2.6
93.07037	2.2
95.04962	2.1
95.08601	5.5
97.02894	5.6
97.06539	0.5
97.10185	0.4
99.04451	0.6
99.08079	0.6
103.03945	0.4
105.03323	0.4
105.07030	1.2
107.04945	1.5
107.08585	1.7
109.02882	2.3
109.06504	0.5
109.10140	1.2
111.04443	7.6
111.11723	0.8
115.05440	0.4
117.07011	0.7
119.04935	1.3
119.08567	1.9
121.02857	1.1
121.06509	0.9
121.10153	1.6
123.04426	17.0
123.08069	0.4
123.11722	0.8
127.03915	5.2
129.07014	1.0
131.04904	0.6
131.08548	1.0
133.02832	0.7
133.06468	2.7
133.10115	1.3
135.04390	0.6
135.08018	0.9
135.11690	3.2
137.02351	0.6
137.05966	3.6
137.13223	0.7
138.29750	0.3
139.03896	76.1
140.04205	0.7
143.04901	0.4
143.08533	0.6
145.04964	6.5
145.06316	0.7
145.10118	0.5
147.04395	7.2
147.08046	2.4
147.11685	1.2
148.16612	0.4
149.02263	0.3
149.05984	4.2
149.09586	0.5
151.03885	3.5
151.07549	1.0
153.05450	3.2
155.03377	4.8
157.06512	0.7
157.10197	0.4
159.04488	0.4
159.08047	0.6
161.05986	7.9
161.09538	1.7
162.07568	0.4
163.03905	11.2
163.06041	2.7
163.07544	4.5
165.01814	0.6
165.04070	0.8
165.05475	17.6
165.09114	0.7
167.03294	0.7
167.07025	2.2
167.08351	0.4
171.08076	0.4
171.11760	0.6
173.05963	0.8
173.09592	0.5
173.13295	0.5
175.03960	0.9
175.07535	3.4
175.14842	0.5
177.05495	3.1
177.09085	1.8
179.03450	3.6
179.07018	14.5
180.00854	0.3
180.08742	0.5
181.04951	0.6
181.08559	0.7
185.05951	0.5
185.09587	0.9
185.13248	0.7
187.07552	0.6
189.05447	2.1
189.09125	2.0
189.16330	0.6
191.03477	0.6
191.07001	2.8
193.04967	1.0
193.08548	1.8
199.07516	0.7
199.14841	1.5
201.12685	0.5
203.07039	1.4
203.10617	1.1
203.14236	0.7
205.04959	4.8
205.08575	0.8
207.10141	0.8
207.17453	0.6
209.13286	1.1
215.07042	0.5
217.04950	0.7
217.08685	0.6
217.15895	4.0
221.04393	1.8
227.06905	0.4
227.10858	0.6
227.14253	3.1
229.04933	2.3
229.08516	0.5
235.16959	4.2
245.04382	1.3
245.15373	11.1
247.06105	1.1
255.13866	1.8
263.05576	0.6
263.13602	0.5
263.16397	9.1
265.14380	0.6
273.14841	3.5
275.16296	0.5
287.16449	0.4
291.15894	45.5
292.16214	1.4
301.17987	0.8
309.16943	100.0
310.17337	2.2
311.16403	0.4
315.15756	0.6
325.11145	1.0
327.18030	19.1
329.17529	1.3
333.16940	6.2
349.76202	0.3
351.18085	3.2
353.17258	0.4
355.18893	0.4
357.16974	2.8
371.18448	0.9
375.18033	7.4
376.18073	0.3
381.16980	2.0
387.17627	0.4
389.19839	0.7
393.19058	9.2
399.18100	5.5
411.20007	0.8
417.19034	7.6
435.20145	5.0
440.18262	0.3
453.21353	1.9
471.22592	0.4
530.41119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	8.8
67.05506	7.2
69.03429	4.2
69.66796	1.7
71.08652	1.5
73.02917	5.9
77.05868	0.6
81.03439	2.1
81.07066	2.3
83.08607	0.8
85.02913	7.5
85.10189	0.8
85.97311	0.6
87.04507	0.8
91.03954	5.6
91.05479	1.0
95.08623	2.7
97.02898	9.1
97.10119	0.6
98.22735	0.9
99.04427	1.2
101.02391	2.7
103.03956	1.0
109.02890	1.7
109.10156	5.1
127.03962	2.7
133.51463	0.6
145.05020	0.9
155.10652	0.7
173.11821	2.1
185.04225	1.6
190.30269	0.7
195.09938	0.7
203.05278	1.1
229.14441	1.1
243.08434	2.3
251.12625	0.9
313.27478	1.8
347.09668	2.8
363.08786	0.9
365.10583	1.4
380.74625	0.6
405.13611	6.1
406.13776	0.8
413.17783	14.7
497.30801	7.7
562.87976	0.9
575.23108	13.5
576.23224	0.7
659.36151	6.5
660.35950	0.9
669.41449	4.4
797.33997	0.8
831.47034	100.0
832.47437	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	831.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38094	0.7
61.02928	3.6
64.64418	0.7
66.92316	0.9
67.05489	5.8
69.03432	2.8
69.36468	1.6
69.36873	2.6
71.08649	2.6
73.02928	3.5
79.05495	4.7
81.03442	0.8
81.07056	8.1
83.08636	1.4
85.02907	4.5
87.50567	0.7
91.03978	3.0
91.05493	3.1
93.07048	6.1
95.05035	0.9
95.08605	4.8
95.54328	0.7
97.02917	3.1
99.08110	1.6
101.02388	1.6
105.07034	1.8
107.04981	0.8
107.08591	2.2
109.02885	1.0
109.10176	1.3
119.08557	1.3
121.10155	2.0
127.03927	1.3
131.08539	1.7
133.10139	1.3
135.11725	2.4
141.43130	0.8
147.11676	1.0
151.11176	1.1
161.13338	1.5
173.13341	1.0
179.14386	2.9
242.11314	0.8
243.08496	4.4
261.22382	1.0
317.20837	5.7
373.23428	1.2
373.94925	0.8
519.29669	0.9
535.28796	12.7
537.30475	12.1
636.13513	0.9
813.18921	0.9
813.34393	0.9
831.52197	100.0
832.52875	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	832.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.0
65.03930	1.2
67.01868	1.0
67.05503	6.9
67.38795	0.8
68.99779	0.8
69.03421	3.1
69.07056	6.8
69.67591	1.4
69.67925	1.2
71.04984	1.6
79.05502	3.2
81.03429	1.6
81.07053	9.1
83.08611	2.5
85.02913	11.0
91.05480	2.4
93.03423	1.1
93.07042	3.7
95.05000	1.1
95.08614	7.6
97.02898	2.7
97.10178	4.9
98.23451	1.7
102.34389	0.9
103.05453	1.0
105.03346	1.0
105.07030	2.2
107.04969	4.4
107.08602	1.8
107.54057	0.8
109.02882	1.7
109.06528	1.2
109.10168	3.9
111.04429	3.6
113.90320	0.7
115.05463	1.9
117.07029	1.5
119.04938	2.7
121.02859	1.5
121.06513	2.7
123.04418	6.9
123.08074	1.6
123.11725	3.0
127.03908	22.1
129.06963	0.9
131.04935	2.1
131.08575	2.7
133.06493	6.1
135.11668	1.9
137.05937	2.1
139.03897	65.0
140.04306	1.0
145.04950	3.7
145.06529	1.8
145.10106	1.4
147.04428	6.0
147.08038	2.9
149.06012	3.5
149.13269	2.4
151.03889	4.2
151.07578	1.7
152.98474	0.8
153.05424	9.5
155.03384	90.0
156.03752	1.7
159.04414	1.4
159.08057	1.1
161.02376	1.7
161.05980	18.5
163.03906	13.9
163.06078	1.4
163.07542	4.7
165.05472	22.2
167.03415	1.7
167.07030	1.8
169.04951	1.7
173.05995	3.4
175.03865	1.2
175.07584	3.6
177.05490	9.6
177.09100	1.5
179.03456	14.3
179.07025	77.9
180.07289	1.5
181.04988	1.9
181.08644	1.2
187.07526	4.3
189.05508	2.3
189.09111	2.7
191.07033	8.8
193.04973	2.2
193.08603	5.1
199.07753	1.0
201.05461	0.8
201.09160	3.6
203.07024	3.4
203.10628	0.9
205.04973	5.3
205.08633	5.0
211.14828	1.3
215.07422	1.1
215.10727	2.3
217.05023	1.6
219.06407	0.9
219.10193	2.0
221.04422	12.7
229.15816	5.9
233.11720	1.2
239.14287	1.7
243.42722	0.9
245.04431	2.4
245.08026	1.7
247.16936	7.2
257.15375	7.3
261.11444	1.0
263.05496	1.9
263.16589	1.5
265.17960	2.5
275.16394	47.5
276.16873	1.7
279.12155	1.3
293.17462	100.0
294.17819	2.3
299.16437	2.5
311.18518	39.2
312.18991	1.4
317.17419	7.2
326.25784	1.1
329.16226	2.7
329.19562	64.7
330.19873	1.7
335.18515	7.7
341.17444	3.0
342.06958	0.8
353.19586	6.5
359.18558	9.4
377.19507	10.0
383.18454	3.1
395.08755	0.8
395.20657	5.0
401.19708	4.7
419.20645	4.6
437.21796	4.0
450.46570	0.8
455.22580	2.1
473.23639	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44006	1.7
71.12083	0.5
85.59615	0.4
97.78349	0.4
109.31559	0.4
167.98274	0.5
175.03651	41.0
176.04254	1.1
177.67293	0.4
182.15375	0.5
192.78633	0.5
203.03091	0.6
204.03923	0.9
205.04686	2.6
218.05566	0.6
407.15112	0.5
409.12524	0.7
410.13474	0.7
421.12784	0.9
425.12173	0.9
438.13010	1.5
439.13336	2.2
439.47116	0.5
440.14517	1.5
453.15277	3.8
529.61163	0.5
621.19269	0.7
635.20844	1.0
636.22003	0.9
744.70032	0.6
833.29767	100.0
834.30096	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	836.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	0.8
60.63968	0.6
61.02921	4.6
62.05759	0.6
67.05501	14.8
67.05856	0.9
69.03429	1.9
69.07064	4.2
71.04977	1.8
73.02928	1.9
74.11196	0.5
79.05492	11.0
81.03407	4.2
81.07054	18.0
83.01341	1.9
83.04992	4.7
83.08609	7.0
85.02905	6.1
85.06550	1.5
89.79513	0.6
91.03953	2.0
91.05480	9.0
93.07041	14.8
93.07602	0.9
95.04973	3.2
95.08602	5.8
97.02879	3.0
97.06522	3.6
97.10178	3.6
99.04467	1.7
99.08075	0.6
105.04542	0.9
105.07021	6.8
107.04960	2.7
107.08587	11.3
109.06525	2.8
109.10146	2.8
111.04442	4.3
111.08090	2.9
117.07021	4.1
119.08591	5.3
121.06511	2.4
121.10133	6.8
123.08069	2.2
123.11725	1.6
125.05965	0.8
125.09630	3.2
127.03897	1.1
129.07005	1.6
131.04922	0.8
131.08566	4.7
133.10114	3.3
135.08063	1.7
135.11690	6.6
137.09608	0.6
143.08551	1.8
145.04973	0.8
145.06505	1.7
145.10107	5.6
147.08037	1.2
147.11673	1.7
149.09621	1.2
149.13239	6.6
151.11191	0.7
153.09099	1.4
153.12756	3.3
159.08003	0.9
159.11697	3.7
161.13245	0.7
163.11185	9.4
163.12466	1.0
173.09676	1.0
177.12746	2.1
181.12262	3.5
187.14890	0.9
189.11176	1.2
191.10695	2.2
195.13812	2.4
208.79173	0.6
209.11745	2.9
227.12776	4.0
233.15466	1.0
253.08611	0.6
269.17505	10.7
269.22577	0.6
283.15369	12.3
302.65482	0.8
357.24081	0.7
367.22452	1.4
371.11285	1.8
372.11597	1.3
373.11945	1.7
385.23633	2.1
403.24796	2.3
421.25705	0.8
459.27435	11.2
465.42133	0.7
477.28467	100.0
478.28778	2.4
495.29544	17.5
621.32764	1.3
709.29431	0.8
798.22083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81270	0.8
64.72032	0.8
67.05165	1.1
67.05507	19.9
69.03420	3.8
69.07069	23.6
69.67690	0.8
69.87772	1.4
69.88101	1.6
74.44083	0.9
79.05488	17.2
81.03413	4.5
81.07059	23.5
83.04962	3.1
83.08633	5.1
91.05476	26.0
93.07049	14.9
95.01339	4.2
95.04958	6.3
95.08601	11.2
97.02882	3.9
97.05966	1.5
97.06531	17.8
97.10181	6.8
98.22713	1.0
99.08065	1.0
105.04507	1.3
105.07030	31.0
105.07742	1.6
107.04968	7.3
107.08586	8.5
109.06539	2.1
109.10134	4.9
111.08069	2.5
117.07018	8.5
119.08572	20.5
121.06499	2.6
121.10125	5.0
123.08089	2.0
125.09617	6.0
129.07004	2.5
131.08565	9.7
133.06450	1.7
133.10136	19.5
135.08049	3.3
135.11710	3.8
137.09590	1.5
139.07538	1.2
141.06978	1.7
143.08575	2.4
145.06436	1.4
145.10136	8.2
147.08035	2.9
147.11700	8.8
148.13779	0.9
149.09593	3.2
149.13229	2.1
157.10139	2.8
159.08174	0.9
159.11679	4.7
159.90555	0.8
161.09578	1.0
161.13260	1.9
163.11166	2.5
165.09093	1.2
169.10191	1.2
171.11633	1.5
173.13242	1.9
175.11108	0.9
177.12741	2.6
179.14307	6.3
183.02823	0.8
187.11107	1.1
189.11221	1.4
195.13680	1.1
197.13194	0.9
205.12169	1.5
223.13257	7.1
227.12724	1.5
247.20634	1.8
249.14928	1.9
257.19006	3.7
267.15936	1.5
273.18518	7.8
275.20056	42.8
276.20447	1.2
291.19543	34.9
293.21069	3.4
296.11090	0.9
347.22073	2.6
349.23743	25.1
350.24045	0.8
365.23215	28.4
541.35040	3.4
543.36371	1.1
559.36334	1.4
621.40948	3.3
639.42523	100.0
640.43170	5.0
657.43115	1.8
865.62659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41510	2.1
65.03931	3.3
67.05506	42.3
69.03442	3.3
69.07069	26.1
69.67831	7.4
79.05492	28.2
81.03423	10.5
81.07058	55.4
83.04990	6.3
83.08633	7.0
85.06573	2.3
91.05479	59.1
93.07047	40.3
95.01341	7.7
95.04976	12.7
95.08611	24.6
97.06540	25.8
97.10199	2.8
103.05491	3.9
105.07035	76.8
107.04940	14.4
107.08595	23.2
109.06488	4.0
109.10151	22.0
111.08095	4.9
117.07024	12.6
119.08580	31.6
121.06516	6.2
121.10158	9.8
123.08102	5.8
123.11720	5.6
129.06992	4.2
131.08571	20.5
133.06480	4.8
133.10135	56.6
135.08075	8.3
135.11705	6.8
137.09668	2.4
143.08588	4.5
145.06445	2.5
145.10121	15.4
147.11720	9.4
149.09619	9.1
149.13254	3.3
151.11143	14.0
157.10127	4.4
159.08099	2.4
159.11726	9.4
161.09618	6.8
161.13304	3.0
161.19034	2.1
163.11194	3.7
165.12773	2.6
169.10103	3.5
171.11624	2.8
175.11191	3.4
177.12732	3.4
179.14311	8.3
187.11162	4.8
251.12663	3.7
253.14339	55.2
257.19009	6.5
273.18524	20.7
275.20065	80.9
291.19559	20.6
293.21317	4.9
347.22171	11.0
349.23721	38.5
365.23212	36.4
527.33081	2.8
541.34705	2.7
545.34705	11.1
621.41290	16.6
639.42566	100.0
640.42603	6.8
657.43298	2.5
847.93127	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	4.2
64.31547	1.1
65.03958	1.9
66.44026	1.1
67.05508	80.9
69.03434	5.5
69.07072	19.1
71.01368	3.2
71.04991	6.6
73.02927	3.3
75.04502	1.0
75.14565	1.0
79.05497	37.9
79.05955	2.2
81.03422	100.0
81.07059	41.3
83.04978	13.2
83.08622	32.6
85.02920	10.5
85.06541	3.1
87.04478	4.4
91.05479	28.9
93.07046	22.4
95.04971	36.2
95.08607	16.4
97.02890	7.8
97.06548	6.4
97.10166	20.1
98.23421	3.7
99.04482	1.7
99.08105	2.4
103.03961	1.2
105.07037	18.4
107.04956	12.6
107.08599	16.3
109.02934	1.2
109.06531	10.1
109.10162	59.8
111.04453	4.2
111.08087	11.3
115.05428	2.2
117.07018	8.8
119.04955	1.5
119.08587	23.8
121.06528	8.5
121.10155	10.7
123.04446	3.8
123.08067	4.7
123.11739	1.7
125.09646	15.5
127.67859	1.1
128.55499	1.1
129.05475	2.9
129.06995	12.3
131.04904	2.1
131.08577	13.0
133.06511	6.6
133.10139	8.7
135.04472	1.1
135.08064	4.3
135.11702	6.7
137.09645	5.4
142.07832	2.7
143.08588	2.9
143.10709	2.5
145.06529	3.4
145.10103	9.1
147.04436	4.5
147.08040	8.2
147.11687	10.3
149.09610	10.3
153.09111	2.9
153.12721	6.8
155.08607	1.9
155.10614	6.0
157.10143	11.2
159.08093	3.1
159.11714	1.9
161.06056	1.3
161.09604	3.1
163.11154	11.2
165.12762	2.0
171.10242	2.0
171.11827	1.3
173.05997	1.2
173.09666	3.4
173.11758	12.4
173.13181	1.5
175.11188	13.8
175.12634	1.5
181.12262	4.1
183.11789	1.3
185.13306	1.7
187.11256	2.0
189.11218	4.7
191.10635	6.1
193.12245	37.3
199.13301	3.1
201.12852	1.4
201.14970	1.2
203.14320	2.3
205.12260	4.0
207.13838	1.4
209.11757	8.7
211.13263	9.0
217.14360	2.8
219.13753	6.1
221.15410	1.3
223.13341	2.4
227.12762	16.2
229.14348	50.9
231.13792	4.1
232.14464	1.5
235.13132	2.4
247.13358	4.6
248.05867	1.1
249.14908	5.4
252.70917	1.1
257.13828	1.3
259.13211	6.1
265.14594	1.5
267.15915	91.2
268.16449	1.7
273.14502	1.1
273.18466	4.7
283.15399	15.9
289.18167	1.7
293.17538	1.4
295.14917	1.1
301.16660	8.5
309.16986	2.0
321.16885	1.8
333.17108	2.1
349.21634	1.6
351.18161	1.3
355.22672	3.1
363.21481	2.2
365.21143	3.4
367.22681	3.8
373.23889	2.2
383.22073	7.8
385.23883	6.2
391.24374	1.7
399.23785	14.6
401.23245	9.9
403.24872	3.5
419.24350	2.7
421.25858	25.6
422.26398	1.2
457.25836	3.5
458.26669	13.6
459.27402	6.8
475.27002	16.5
476.27621	20.1
477.28397	4.0
493.27966	14.7
511.28851	4.9
518.32458	4.0
555.33453	1.6
573.34387	1.8
591.35181	10.5
699.37988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08167	1.0
62.76424	0.9
65.03926	2.4
67.05503	42.7
69.03430	2.4
69.07067	32.6
69.45794	3.8
71.04989	3.6
72.26170	1.0
73.58158	1.0
77.03947	1.1
79.05489	37.5
81.03422	10.4
81.07056	60.5
83.04984	7.8
83.08607	8.4
85.02901	2.5
85.06543	2.2
87.04478	4.8
91.05476	52.8
93.06448	2.3
93.07041	44.9
95.01320	7.2
95.04956	12.4
95.08604	35.1
95.09214	1.4
97.02896	1.3
97.06528	29.4
97.10152	5.3
98.23388	1.9
99.04469	1.1
99.08083	2.3
101.44933	0.9
103.05461	2.3
105.04522	2.3
105.07027	69.8
107.04961	16.8
107.07921	1.9
107.08593	21.4
109.02925	1.7
109.06509	6.9
109.10144	9.3
111.04408	1.2
111.08095	3.0
112.46574	0.9
113.09637	1.4
115.05440	1.7
117.07008	15.6
118.05637	0.9
119.08578	39.3
121.06519	5.1
121.10149	11.3
123.04443	2.0
123.08057	3.2
123.11712	2.7
125.09633	5.0
127.03866	1.1
127.07483	0.9
128.06265	1.0
129.07022	4.3
130.07771	1.0
131.04863	1.4
131.08560	22.3
133.06575	1.0
133.10127	40.2
135.08064	3.9
135.11688	9.0
137.09576	2.2
139.07524	1.9
141.06969	1.2
142.07782	0.9
143.08513	4.9
145.06502	1.9
145.10115	17.4
147.08052	1.8
147.11668	16.4
149.09598	10.9
149.13271	6.6
151.11110	1.5
155.08540	1.8
157.10126	4.1
159.11700	13.2
161.09618	1.5
161.13239	6.3
163.11191	7.1
163.14822	1.1
165.09137	1.8
165.12781	1.4
169.10129	2.4
171.11736	2.8
173.04494	1.6
173.09525	1.1
173.13301	3.2
175.11133	0.9
177.12733	3.3
179.14304	12.6
183.11720	1.9
187.11200	3.1
189.11243	2.0
189.12766	1.2
189.16313	0.9
195.13802	1.2
197.13222	1.5
219.17450	1.5
221.56892	0.9
227.12766	4.9
229.14343	1.5
229.19545	2.2
239.17957	4.1
247.20593	2.8
255.15952	3.2
257.18942	9.8
269.17471	10.1
275.20053	100.0
276.20477	2.6
277.21634	1.3
279.15829	1.5
286.17355	1.1
291.19400	1.2
293.21027	6.4
331.22589	2.7
349.23706	60.9
350.24252	1.4
367.24612	2.5
503.33774	2.3
519.33063	1.3
529.35272	23.8
530.35437	1.2
543.36798	86.8
544.36957	4.4
583.39557	1.2
595.43439	1.9
605.41650	1.0
623.43011	55.9
641.43945	9.0
645.36188	1.2
661.25647	1.1
663.37524	1.2
679.31146	1.1
687.40668	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	1.7
65.03926	2.9
67.05505	56.4
69.03416	2.4
69.07066	38.3
69.21780	8.6
71.04992	3.5
79.05495	42.5
79.50761	1.6
81.03415	9.4
81.07058	70.2
83.04968	7.9
83.08616	12.8
87.04456	4.4
91.05482	62.6
93.07040	48.3
95.01335	6.9
95.04969	14.9
95.08607	31.0
97.02880	1.9
97.06528	27.0
97.07116	2.7
97.10157	5.4
99.08063	1.9
105.04543	2.8
105.07028	65.5
107.04950	14.7
107.08594	30.3
108.39762	1.8
109.02881	2.5
109.06518	6.4
109.10147	12.6
110.29469	1.6
111.08073	4.0
113.09580	2.7
115.05450	2.3
117.07007	16.6
119.08580	37.2
121.06503	5.0
121.10129	12.7
123.08083	5.6
123.11703	2.8
125.09650	2.4
125.45490	1.6
125.51528	1.6
129.07018	2.9
130.13503	1.8
131.08575	23.3
133.10126	41.5
135.08089	5.0
135.11713	11.6
136.06213	2.0
139.07532	2.8
143.08574	4.8
145.10136	19.2
147.08046	1.8
147.11655	14.2
149.09613	11.4
149.13293	8.6
151.11179	2.7
155.08569	3.3
157.10147	6.1
159.11678	13.9
161.09636	2.3
161.13286	5.1
163.11169	5.9
169.10184	2.4
171.11728	3.5
173.13248	4.1
177.12787	4.9
179.14333	10.3
183.11684	2.5
185.13263	2.2
187.11096	2.5
188.57730	1.7
189.12793	2.1
195.13785	2.1
227.12881	3.1
229.19458	3.2
239.17926	2.4
247.20531	2.9
251.16341	2.9
255.15974	6.6
257.18976	7.5
259.20547	2.1
269.17499	24.4
275.20068	70.9
291.19656	4.6
293.21133	6.5
305.90436	1.8
349.23740	46.5
350.24277	2.4
365.23129	2.9
367.24796	5.6
413.22021	1.9
529.35272	18.7
543.36798	100.0
544.36829	4.7
548.36371	2.0
605.41492	1.9
623.42987	29.0
626.27039	1.9
641.44391	8.8
687.40680	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	838.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	5.9
67.05505	92.5
67.05864	5.3
69.03452	3.2
69.07070	31.3
71.04992	9.3
79.05491	71.3
81.03429	9.1
81.07051	95.3
83.04981	13.3
83.08614	11.3
85.02913	3.0
85.06555	6.7
91.05476	100.0
93.07041	78.0
95.04964	18.5
95.08606	46.3
97.02900	3.3
97.06521	9.8
97.10149	4.9
98.22711	10.1
99.08101	4.7
103.05491	5.1
105.04500	5.0
105.07024	97.0
107.04968	10.3
107.08591	52.3
109.06518	12.0
109.10149	52.0
111.08106	5.7
117.07019	20.6
117.54607	2.6
119.08573	53.8
121.06508	9.1
121.10121	22.0
123.08102	6.1
123.11702	6.5
125.09637	3.7
128.06189	4.9
129.07008	11.5
131.08559	30.4
133.06476	5.1
133.10126	81.9
135.08084	7.2
135.11697	19.9
137.05960	3.0
137.09584	3.6
137.91547	2.7
139.11073	3.6
143.08609	15.9
143.09579	3.6
145.10109	29.7
147.11685	30.9
149.09607	7.6
149.13237	7.1
151.11180	35.0
153.09081	3.4
155.08522	6.1
157.10175	14.0
159.11678	16.9
161.09604	8.5
161.13251	23.1
163.11183	5.2
169.10139	4.7
169.12216	6.1
171.11696	14.5
173.13281	12.3
175.11206	7.9
175.14830	10.2
177.12595	2.5
179.08469	2.5
181.10034	4.5
183.11714	6.5
185.13278	9.6
187.14784	4.1
189.12828	6.2
197.13301	3.2
199.14784	4.4
211.14915	3.7
212.62314	2.6
215.12788	7.7
229.14395	4.5
231.21085	4.9
239.17982	5.1
241.19562	24.0
245.19101	4.8
253.14336	91.8
257.19031	5.4
259.20557	69.7
263.20038	7.7
271.15253	3.5
273.18524	19.9
275.20047	8.5
277.21692	4.3
289.17969	6.2
291.19449	28.8
315.23151	10.6
333.24188	68.7
335.25790	9.0
339.28726	3.8
347.22421	4.3
349.23865	4.8
363.21732	4.6
365.23199	42.9
394.27332	3.6
437.30627	6.2
455.31500	5.7
465.67282	2.6
469.33298	2.8
479.37265	6.8
501.35709	7.2
511.34036	21.9
513.36774	4.5
525.35150	3.2
529.35071	34.3
543.36884	4.1
549.38977	8.4
595.43054	3.2
605.42145	14.4
623.43036	72.3
641.43866	20.2
838.49506	4.0
855.82532	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	840.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.0
65.03915	0.9
67.05161	0.7
67.05502	11.5
69.03423	2.3
69.07062	2.0
69.29849	1.4
69.30258	1.3
71.04971	0.9
79.05482	4.0
81.03428	0.8
81.07053	15.2
82.68962	0.5
83.01347	1.2
83.08622	1.5
85.02906	9.7
85.06527	2.4
91.05474	2.3
93.07045	3.4
94.73194	0.5
95.01414	0.5
95.04969	0.8
95.08603	23.7
95.09216	1.1
97.02890	2.9
99.04487	0.6
100.94650	0.5
103.03901	0.7
105.07008	1.3
107.04981	0.5
107.08585	1.8
109.02888	0.9
109.06507	1.7
109.10154	7.1
111.08080	0.7
117.06968	0.6
121.06500	1.3
121.10136	2.2
123.11684	1.2
125.05972	1.1
127.03878	1.9
131.08574	1.2
135.08080	1.4
135.11658	1.6
137.05969	100.0
138.06314	1.3
139.03879	0.6
145.04987	2.8
145.06479	1.0
147.08061	0.6
149.05969	0.7
149.09579	2.3
151.07550	4.7
159.08047	1.3
159.11656	0.5
161.05963	12.2
161.09549	0.6
162.06744	0.9
163.06120	0.8
163.07533	22.1
163.14767	0.9
165.09111	2.3
173.09601	1.1
174.06830	0.8
175.07536	4.6
176.08339	0.7
177.09100	47.9
177.16385	0.7
178.09453	1.1
179.10713	0.7
181.04895	0.9
187.07542	1.5
189.09093	2.0
191.10660	18.9
201.09102	4.5
203.07036	5.8
203.10611	2.5
205.12248	7.8
206.12837	0.5
215.10640	2.2
217.08572	0.9
217.12212	4.1
219.13800	1.8
227.07022	2.3
227.10721	0.7
229.08665	0.7
229.12242	1.1
231.13737	2.9
241.12361	0.6
243.10146	2.2
243.13907	0.6
257.11801	0.8
263.09134	0.8
275.20013	4.7
301.21603	18.9
319.22659	94.4
320.22931	2.9
323.19894	1.2
325.11340	0.5
325.21561	4.6
337.23767	4.8
343.22668	12.7
367.22736	5.1
385.23740	6.0
391.22775	2.1
401.23349	0.7
409.23792	6.1
427.24881	4.3
445.25891	5.9
463.27161	1.2
481.28021	1.2
491.17123	0.7
516.31781	0.8
677.25745	0.6
803.98688	0.6
840.30896	0.8
863.58905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	4.4
61.02940	1.9
65.03947	1.4
65.91140	1.1
66.37421	1.3
67.05502	85.3
69.03423	4.1
69.07066	9.4
69.26015	5.9
71.01340	2.9
71.04988	6.8
72.05733	1.2
73.02914	2.5
79.05492	30.4
81.03414	100.0
81.07053	34.7
83.01326	1.5
83.04984	12.2
83.08127	1.6
83.08619	32.7
85.02907	11.1
85.06548	4.8
87.04454	5.8
89.06028	2.9
91.05477	30.2
93.07041	22.7
95.04965	28.7
95.08604	15.7
97.02894	4.2
97.06525	4.5
97.10165	17.1
99.08074	2.1
105.04500	1.4
105.07026	19.4
107.04945	16.1
107.08590	16.0
109.06499	8.2
109.10151	64.0
111.04441	4.7
111.08083	8.7
113.06032	1.5
115.05435	2.5
116.06288	1.3
116.07066	1.2
117.07011	7.6
119.04946	2.0
119.08569	21.2
121.06499	7.8
121.10141	14.4
123.04417	5.1
123.08058	5.3
123.11763	1.5
125.06022	1.3
125.09631	15.1
126.08211	1.0
128.06233	1.7
129.06993	13.4
131.04962	1.8
131.08542	12.5
133.06479	2.7
133.08589	1.7
133.10159	6.1
133.36946	1.3
135.08066	3.8
135.11674	7.1
137.06004	1.3
137.09625	6.1
139.11186	1.3
142.07733	1.8
143.08533	1.6
145.06468	2.2
145.10127	7.7
147.04422	6.3
147.08057	4.0
147.11688	9.6
149.05983	1.4
149.09589	6.6
153.09131	1.7
153.12752	4.5
155.08557	2.0
155.10712	3.2
157.06497	1.4
157.10101	10.0
158.08167	2.7
159.08067	1.2
159.11682	1.3
161.09579	1.2
163.11180	15.1
165.12802	2.2
170.18634	1.2
171.11717	1.3
173.09558	2.0
173.11736	17.4
173.13162	1.1
175.11168	9.3
177.11253	1.3
181.12250	5.4
185.05867	1.4
185.11716	1.4
189.05511	1.2
189.11205	5.3
189.12743	1.9
191.10661	5.0
191.14384	2.0
193.12244	35.6
199.13251	3.8
205.12259	3.4
209.11711	9.8
211.13249	8.5
217.12247	1.5
217.14314	2.8
219.13823	5.0
223.13353	1.8
227.12737	16.6
229.14339	54.1
231.13821	3.2
232.14606	2.0
235.13242	1.9
241.12126	1.3
247.13376	3.3
249.14888	5.7
259.13248	6.0
259.15677	1.3
267.15903	80.7
268.16248	2.3
273.14752	1.8
275.20044	2.3
283.15405	11.1
291.19437	3.4
293.13712	1.8
293.17413	2.8
301.16623	10.5
309.17148	3.0
309.20483	1.4
329.20911	1.6
333.16956	1.4
351.18118	1.6
355.22430	2.4
365.23605	1.7
367.22647	2.8
373.23660	2.0
383.22116	7.7
385.23703	4.3
401.24661	10.5
403.24847	4.0
409.26016	1.8
419.24442	2.0
421.25790	23.3
447.27426	1.7
457.25647	4.6
458.26743	9.2
459.27411	3.1
475.27051	16.5
476.27606	18.6
487.17941	1.4
493.27994	15.1
511.28943	4.6
520.33765	3.4
527.28656	1.6
575.35895	2.1
593.36871	8.3
655.91852	1.3
671.64001	1.5
737.35681	1.2
858.25848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.4
65.03939	5.5
67.05505	91.8
69.03426	9.3
69.06710	2.7
69.07069	37.0
71.04989	7.7
71.08649	3.3
73.06544	2.3
77.03932	2.0
79.05492	80.5
81.03413	11.4
81.07054	100.0
82.07413	3.1
83.04975	12.1
83.08617	21.4
85.02905	7.6
85.06551	4.1
86.09698	3.2
86.61391	1.8
87.04456	7.3
89.06035	20.2
91.05479	89.9
93.07043	85.3
95.04977	19.1
95.08608	53.8
97.02899	5.9
97.06534	17.0
97.10177	8.7
99.04486	2.3
99.08121	4.1
99.48057	1.7
103.05447	2.1
105.04530	3.3
105.07030	78.6
105.07746	4.0
106.07355	2.3
107.04976	9.6
107.08595	50.6
107.95426	1.7
109.06503	11.0
109.09473	2.8
109.10157	21.6
111.04467	2.1
111.08065	6.3
113.09685	2.8
115.05441	4.0
116.06362	1.7
117.07014	31.2
119.08581	59.0
121.06517	9.5
121.10158	27.6
123.08075	7.2
123.11702	5.6
125.09606	3.2
128.06250	5.4
129.06989	17.8
131.07098	2.4
131.08565	41.5
131.09473	3.5
133.06531	2.3
133.08617	14.9
133.10124	47.1
135.08095	9.9
135.11679	23.1
137.09644	7.1
141.07013	4.0
142.07779	5.2
143.08585	22.6
145.10124	36.8
147.08054	2.6
147.11694	31.2
149.09628	11.0
149.13240	12.6
151.11200	3.4
155.08575	10.7
157.10150	20.1
159.11676	23.9
161.09694	3.6
161.13229	16.5
163.11188	8.2
163.14787	2.8
167.08603	4.8
169.10132	10.0
171.08160	2.0
171.10303	3.5
171.11676	20.5
173.04419	2.5
173.09563	2.4
173.13272	15.4
175.09712	2.8
175.11203	3.9
175.14845	7.0
177.11205	3.7
177.12727	3.1
179.08685	2.7
181.10159	5.7
181.12262	2.1
183.11711	15.6
184.07408	3.5
185.13275	13.7
187.14781	6.2
189.11133	2.2
189.12701	2.8
189.16296	2.6
193.10228	1.8
193.12306	2.4
195.11736	6.0
195.13715	2.1
197.13261	10.1
199.11281	2.2
199.14853	7.8
207.11583	3.3
209.13254	4.8
210.68790	1.9
211.14873	4.5
211.43915	2.1
213.12761	2.9
213.16446	4.5
221.13263	2.4
223.14854	3.9
225.16339	3.4
231.21078	3.2
233.19086	4.7
239.17987	3.6
241.19539	16.0
255.15741	9.9
257.19016	7.5
259.20593	41.7
261.22079	2.8
267.15775	4.8
269.17392	15.0
273.18616	3.8
275.20114	19.5
276.20584	2.5
277.21466	6.8
283.20621	2.2
285.22321	2.0
291.19363	2.1
299.47360	2.5
315.23093	5.1
333.24268	44.6
335.26047	4.2
349.23834	12.3
350.23862	2.1
351.24985	2.3
367.24954	4.3
379.30081	2.0
423.32220	3.4
435.32434	6.9
453.33664	2.8
469.53574	1.9
471.34528	2.0
509.36273	3.4
513.35736	23.6
515.38324	5.0
517.38849	3.1
525.35797	2.6
527.37354	48.7
531.36450	6.2
533.39783	5.2
544.36963	2.2
545.38208	11.1
551.41052	2.9
567.40161	3.5
597.44324	1.9
607.43573	31.4
625.44720	32.9
653.41223	2.3
671.41821	2.4
840.45544	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.7
65.03944	6.2
67.05508	80.4
69.03423	20.3
69.07072	45.2
69.36078	8.3
71.04995	18.0
73.02917	6.3
73.32338	1.5
73.45943	1.6
77.03986	1.7
79.05496	74.5
81.03426	21.1
81.07059	76.2
83.05006	11.5
83.08638	11.9
85.02911	10.5
85.06559	3.3
85.98517	1.7
89.06037	2.5
91.05482	46.2
93.06505	1.1
93.07046	70.2
95.04975	19.9
95.08611	48.5
97.02896	14.6
97.06535	73.1
97.10203	2.4
98.23463	3.5
99.04464	2.5
99.08100	4.6
103.03947	1.6
103.05482	2.0
105.04539	5.9
105.07048	30.6
107.04972	7.3
107.08601	32.4
109.02880	4.9
109.06528	17.1
109.10160	18.6
111.04436	3.3
111.08096	4.0
113.05989	3.2
115.05502	1.7
115.07576	26.1
117.07020	20.3
119.08575	17.9
121.06535	7.2
121.10156	20.0
123.08092	4.8
123.11725	5.9
125.09699	3.2
127.03936	7.7
128.06197	3.5
129.05498	2.5
129.07024	6.8
131.08571	21.8
133.06467	5.0
133.10135	21.2
135.08093	8.1
135.11734	10.5
135.67812	1.4
137.09605	3.0
137.13223	2.2
141.06923	1.7
143.08580	5.8
144.09322	1.7
145.06520	2.2
145.10115	16.0
147.08076	5.0
147.11681	10.9
149.09644	4.6
149.13231	9.7
151.11250	3.5
157.10112	5.3
159.08092	2.1
159.11671	11.2
161.09644	5.5
161.13297	4.6
163.11247	3.5
163.14868	2.0
169.10155	2.9
169.12326	2.0
171.11729	4.8
173.04497	8.6
173.09644	1.7
173.13297	6.1
175.11208	3.2
177.12791	3.6
179.10789	2.2
179.14352	1.9
181.10141	2.4
183.11786	2.0
185.13271	5.0
187.14806	2.4
189.12848	1.7
195.13922	2.5
199.14825	3.0
217.15903	6.3
227.18106	4.3
233.15404	2.4
237.16507	2.4
243.21233	2.8
245.19043	3.1
253.14421	4.4
255.17548	3.2
259.20834	3.9
261.22134	8.9
267.15741	2.6
269.17426	11.9
273.18475	25.7
275.20212	4.8
291.19519	16.6
307.19141	3.0
308.15329	1.7
333.24203	2.4
335.25815	100.0
336.26157	3.3
347.22241	11.8
349.23694	2.2
365.23218	9.3
391.28333	2.4
511.38022	1.6
515.37225	4.3
529.38910	30.9
531.36914	2.7
545.38055	2.4
557.38080	3.3
567.40369	2.9
607.43701	10.0
625.44617	24.6
642.42810	1.6
643.45703	11.8
840.48132	3.0
841.47119	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	840.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45650	1.0
65.84507	0.9
67.05527	1.0
67.16001	1.1
68.02684	1.0
68.82778	1.1
71.05007	0.9
71.08624	1.0
73.02911	2.3
73.06560	4.2
76.26496	1.0
77.03934	1.4
87.04465	32.7
89.06030	100.0
91.05480	8.7
93.07063	5.3
95.04953	2.8
103.05465	2.8
105.07006	2.4
107.05006	1.5
107.07055	1.7
107.08595	2.4
107.29893	1.0
113.13265	1.5
117.07004	2.1
117.09150	2.5
118.07807	5.8
119.04926	4.3
119.08599	4.1
121.06497	18.0
129.07098	1.2
131.07042	16.9
133.08600	73.7
134.08899	1.0
135.08044	4.3
135.11754	1.1
147.08047	11.8
149.09630	3.9
150.06763	3.6
157.08673	1.1
159.11598	1.7
163.11246	2.1
165.09116	6.1
167.10677	1.9
169.00662	1.0
175.09659	13.1
177.11224	32.3
177.12767	2.4
191.10634	3.8
193.12270	2.4
209.11768	2.8
211.13324	2.8
219.12283	4.3
221.13846	6.8
233.18973	19.5
234.19395	1.3
235.13255	3.9
255.15990	3.1
259.20575	3.7
265.16495	3.6
277.18579	1.6
277.21622	33.0
278.22003	1.2
279.15970	1.4
280.10971	1.1
283.17331	1.4
299.18393	1.1
303.23221	3.4
309.19073	2.7
321.24194	9.6
353.94180	1.3
397.24225	1.8
437.37729	1.1
530.65698	1.1
722.49243	1.1
823.54083	6.4
840.56799	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	1.2
63.42492	0.3
64.67770	0.3
66.47486	0.3
67.05496	1.3
69.03429	0.9
71.04998	0.5
73.02899	1.3
73.06551	2.7
79.05511	0.5
81.03407	0.5
81.07082	0.5
87.03915	0.7
87.04466	39.9
89.06027	100.0
91.05475	1.3
91.07613	0.7
93.07069	0.6
95.04993	0.8
95.08563	0.4
105.07043	1.1
107.04966	0.6
107.07066	1.2
109.10165	0.8
111.18884	0.3
113.06025	1.4
117.07024	0.6
117.09100	1.8
119.08575	0.8
120.80748	0.3
121.06490	2.9
121.10125	0.4
125.09618	0.3
129.07162	0.4
130.08623	1.3
131.04956	0.4
131.06219	0.3
131.07030	13.7
133.08600	70.9
135.08098	0.6
147.08031	3.0
149.09657	1.6
156.19438	0.3
157.08586	0.8
161.09717	0.5
161.11732	0.5
163.11194	0.4
173.09637	1.5
175.09676	12.7
175.11171	1.1
177.11212	30.0
191.10686	1.1
193.12277	1.3
206.21489	0.4
209.11752	1.1
212.44254	0.4
219.12247	4.6
219.14166	0.3
221.13817	7.1
223.15378	0.5
229.14508	0.4
233.18935	1.6
235.13254	0.8
237.13135	0.6
239.14844	0.7
253.14314	0.8
255.15804	0.5
259.20657	3.0
261.22086	0.7
263.14856	0.9
265.16461	3.9
279.15933	0.6
283.17511	1.2
297.16998	1.3
299.18591	1.1
303.23123	1.7
307.17490	0.4
309.19156	1.7
321.24307	0.8
327.20120	0.6
341.19974	0.6
343.20996	0.7
347.25888	0.5
353.21655	1.4
397.24292	0.9
497.34235	0.5
553.04474	0.4
610.42877	0.4
629.42749	0.5
753.72986	0.4
823.53436	0.7
840.56818	1.8
856.49323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.4
62.87704	0.5
64.95201	0.5
66.41412	0.5
69.03421	1.5
69.07077	1.3
69.24805	2.9
71.08631	25.3
73.02915	2.2
73.05537	0.5
73.06554	3.9
79.05496	1.5
81.07072	0.8
83.04996	0.6
87.04468	31.2
89.06030	100.0
91.05479	11.4
93.07043	5.1
95.04974	2.9
95.08585	0.8
102.88696	0.8
103.05487	2.2
105.04519	1.3
105.07022	3.5
107.04945	3.4
107.07057	2.0
107.07964	0.6
107.08578	3.4
109.06525	0.7
113.06013	1.1
113.13301	1.8
117.06995	2.2
117.09152	2.4
118.07793	3.1
119.04940	4.2
119.08580	5.5
121.06507	20.5
121.10125	1.9
123.08093	0.7
130.08633	3.0
131.07037	13.6
131.08604	1.5
133.08603	63.8
135.08075	6.9
135.10181	0.9
135.11664	1.5
145.10092	1.0
147.08049	12.9
147.11720	0.5
149.09633	5.4
149.13275	0.7
150.06743	2.5
157.08684	0.9
159.10310	1.0
159.11754	1.5
161.09653	0.7
163.07539	0.8
163.11182	3.6
165.09094	5.2
167.10712	1.4
173.09558	1.3
175.09676	12.4
175.11121	0.9
177.11226	28.0
177.12610	1.2
180.12338	0.5
191.10725	4.1
193.12265	2.4
209.11725	2.5
211.13258	2.9
219.12242	3.5
221.13838	5.7
223.15358	0.7
231.17557	1.0
233.19012	16.2
235.13315	3.7
237.13248	0.8
239.14879	0.7
247.20670	0.7
252.72839	0.5
253.14578	0.8
255.15976	2.0
259.20575	5.0
265.16522	1.9
275.20044	1.0
275.23785	1.5
277.21622	26.2
278.22037	0.6
279.15964	1.7
283.17526	2.0
297.16840	0.6
299.18530	1.7
303.23132	4.0
309.19049	1.8
321.24161	7.4
323.18109	0.6
327.20093	1.4
343.21240	0.7
353.21756	1.8
355.23413	0.6
397.24780	1.0
425.11386	0.6
441.26895	0.6
711.42041	0.8
823.54120	7.2
840.42047	0.9
840.56891	12.0
873.18738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4706
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02923	3.5
67.05507	9.0
68.05847	0.8
69.03429	4.0
69.07063	7.7
71.04997	1.4
71.08639	2.3
73.02924	2.4
73.15948	0.7
77.03999	0.5
79.05495	9.9
79.19251	0.6
80.05881	0.7
81.03419	3.5
81.07052	11.7
81.07502	0.9
83.04995	2.3
83.08642	2.1
85.02905	3.1
85.64803	0.6
91.03985	1.8
91.05475	7.9
92.05815	0.9
92.60035	0.6
93.07032	9.6
94.07409	1.1
95.01358	0.9
95.04990	2.8
95.08604	6.3
97.02892	4.3
97.06550	2.4
97.10190	2.6
99.08107	1.3
101.02405	1.7
105.07026	7.5
107.04964	2.8
107.08603	6.2
108.08947	0.8
109.06567	2.0
109.10113	3.0
111.08109	0.9
117.07048	2.2
119.08567	4.6
120.48454	0.8
121.10151	3.0
123.08074	0.9
123.11802	0.6
125.09677	1.5
127.03941	0.8
131.08606	2.9
133.10146	4.4
135.08049	0.9
135.11690	3.4
137.09657	0.8
145.10114	1.5
147.11719	1.3
149.09633	1.3
149.13341	1.0
151.11188	1.6
159.11737	1.4
161.09729	0.8
161.13272	1.6
163.11186	1.2
173.13202	1.1
179.14290	6.1
180.14676	1.7
185.04272	0.8
189.11316	0.7
202.91028	0.7
216.37877	0.7
223.13364	1.8
243.08374	4.0
269.17456	1.6
270.17957	0.7
275.20190	1.8
277.21686	3.2
278.22040	2.0
291.19598	2.8
301.08951	0.8
315.19308	3.2
331.18848	1.1
335.25732	0.7
343.06198	0.6
349.23828	1.9
350.24332	1.4
351.25464	1.7
352.25787	1.3
371.21887	1.4
531.36694	0.6
532.37048	1.7
533.27222	9.1
544.36841	0.8
545.38623	2.7
546.38538	4.8
549.26782	6.7
625.45544	1.3
626.45062	3.2
627.72845	0.7
841.47009	100.0
842.47260	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	841.471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.0
65.03942	0.7
67.05503	7.5
69.03432	2.2
69.07071	4.1
69.26720	2.7
71.05010	0.6
71.08633	0.7
73.02918	2.4
79.05493	5.8
81.03402	2.5
81.07061	8.0
83.04992	1.3
83.08624	1.6
85.02922	2.9
89.20897	0.5
91.03969	1.4
91.05489	6.5
93.07036	6.7
94.07391	0.7
95.01339	0.9
95.04995	2.2
95.08599	4.6
97.02902	3.5
97.06518	1.5
99.08108	0.8
101.02392	1.2
105.04536	0.8
105.07030	6.5
107.04984	2.0
107.08595	3.5
109.06544	1.2
109.10143	3.6
109.10770	0.4
117.07065	2.1
119.04938	0.5
119.08578	3.9
121.10166	2.0
123.08092	0.8
123.11749	0.7
124.45633	0.5
125.09724	0.6
127.03931	0.9
129.07039	0.6
131.08594	2.0
132.32462	0.5
133.10135	4.2
135.08009	0.6
135.11719	1.7
145.10144	1.5
147.11679	1.2
149.09724	0.8
149.13319	0.6
151.11197	0.5
159.11697	1.0
161.13315	0.7
163.11153	0.6
171.91438	0.5
177.12737	0.6
179.14325	1.1
180.75957	0.6
188.87541	0.6
243.08408	3.9
255.07628	0.5
269.17520	0.8
273.18362	0.5
275.20172	1.4
277.21765	0.7
278.22012	0.7
291.19510	0.8
315.19290	3.2
331.18820	1.4
335.25717	0.7
349.23590	0.8
351.25110	0.6
371.22079	0.9
447.50729	0.5
533.27258	8.1
545.38239	1.4
546.38538	2.6
549.26813	6.5
626.45160	1.9
653.53345	0.5
733.21033	0.7
841.47028	100.0
842.47192	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	841.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.6
63.93303	0.5
67.05507	5.2
69.03439	2.0
69.07074	2.8
71.04980	0.6
73.02923	2.1
79.05487	4.2
81.03421	2.0
81.07063	5.6
83.04990	1.2
83.08638	1.4
85.02906	2.7
91.03971	1.5
91.05484	4.8
93.07032	3.8
95.04975	1.1
95.08603	2.9
97.02921	2.0
97.06535	0.9
99.63108	0.5
101.02401	1.0
105.07042	3.7
107.04960	1.7
107.08588	2.9
109.06541	1.1
109.10159	1.2
117.07034	1.5
119.08608	2.4
121.06503	0.6
121.10162	1.3
129.07027	0.7
131.08566	1.2
133.10117	2.8
135.11696	0.9
143.08641	1.0
145.10130	1.1
147.11719	0.8
149.09599	1.2
157.10182	0.7
159.11768	0.9
179.14375	1.4
193.12265	0.7
203.05267	0.7
226.71320	0.5
243.08437	2.5
264.73340	0.5
269.17477	0.7
273.18658	0.7
275.20151	1.0
313.17947	0.7
315.19272	3.1
331.19006	1.6
335.25821	0.9
336.26135	1.2
371.22079	1.2
531.25653	1.4
533.27167	8.1
545.38538	0.7
549.26678	3.2
585.28827	0.6
643.45795	0.6
644.45032	0.7
743.40106	1.5
823.45886	6.3
841.47021	100.0
842.47302	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	843.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.7
60.82440	1.0
61.02919	4.2
67.05505	12.0
69.03422	3.3
69.22026	4.2
71.04998	1.5
73.02910	3.7
79.05502	4.7
81.03427	4.9
81.07056	4.7
83.08620	3.3
85.02914	6.1
87.04417	1.1
91.03967	2.7
91.05464	4.0
93.07055	4.0
95.04940	1.3
95.08623	1.8
96.02431	1.0
97.02893	3.3
97.10147	1.6
98.23452	2.5
99.04436	1.3
101.02361	2.3
105.07020	2.4
107.04895	1.2
107.08605	1.6
109.02946	1.6
109.10149	10.1
111.08077	1.4
119.08607	2.3
121.10108	1.2
125.09615	2.1
127.03912	1.8
131.08577	1.6
133.10196	1.3
147.11696	1.2
155.10713	1.4
167.74933	1.1
173.11749	2.6
184.07312	1.3
185.04248	1.5
193.12195	1.8
229.14357	4.9
230.14667	1.8
230.33311	1.2
243.08437	3.5
267.16019	1.9
283.15186	8.4
301.08942	3.0
301.16348	1.2
305.86261	1.1
317.14160	1.0
354.86310	1.2
373.10971	1.7
381.18582	2.0
385.18533	1.5
399.19849	1.3
413.17810	15.7
427.19522	2.9
469.20749	2.5
501.23013	18.9
511.28867	1.7
529.22577	4.9
573.24579	3.0
585.28473	1.6
601.27545	1.3
611.29865	3.0
673.34021	100.0
674.33789	3.3
699.34845	1.4
701.36603	4.3
729.35797	3.5
739.38696	5.9
745.31165	1.4
843.43542	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	843.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04934	0.7
59.05191	0.4
61.02840	4.1
61.03178	0.6
67.05414	5.0
69.03336	2.2
69.07003	0.6
69.68717	0.7
69.69101	0.7
71.04903	1.5
73.02818	3.3
79.05396	2.3
81.03320	3.2
81.06956	2.5
83.08511	1.4
85.02800	4.0
85.03352	0.8
85.06464	0.6
87.04367	0.6
89.92561	0.4
91.03843	2.6
91.05467	2.2
93.06929	1.8
95.04959	1.7
95.08498	1.3
97.02787	3.8
97.06438	0.7
99.04364	0.8
101.02271	1.4
103.03867	0.4
105.06924	1.2
107.08485	1.3
107.15707	0.3
109.02753	0.5
109.10158	5.4
111.07998	0.6
115.03828	0.5
119.08572	1.7
121.10113	1.8
127.03792	1.3
127.04654	0.4
129.05396	0.5
129.06960	0.4
131.08470	1.0
133.09991	1.0
137.09573	0.4
142.07629	0.3
143.07007	0.4
145.04932	0.3
147.11565	1.0
149.09602	1.8
155.10555	0.6
157.10025	1.0
164.10594	0.4
170.43217	0.3
173.11743	2.1
175.11119	0.8
183.06331	0.4
185.04082	1.2
189.79843	0.3
193.12256	2.1
195.09874	0.7
203.05150	0.6
211.13274	0.4
225.14751	0.6
229.14404	1.7
233.11360	0.4
236.69807	0.3
241.14432	0.4
243.08389	2.4
251.12534	0.6
267.15775	1.0
283.15161	6.1
301.08893	2.4
309.16620	0.7
315.10468	0.9
323.17987	0.5
339.17648	1.2
355.13831	0.4
373.11023	0.9
381.18835	1.1
385.18405	1.7
399.19833	0.6
413.17838	14.6
414.18253	0.4
427.19461	2.2
429.17572	0.4
439.19550	0.4
441.20950	1.1
465.28452	1.1
469.20166	1.9
483.21933	0.4
499.14783	0.4
499.21515	0.9
501.23083	19.9
502.23807	0.9
503.33740	0.3
511.28809	2.0
529.22522	4.6
545.22546	0.5
573.25061	3.1
583.30188	0.6
585.28986	1.2
587.26825	0.6
601.27997	1.1
603.10284	0.4
613.31909	1.4
615.30078	0.5
629.31531	0.9
643.32990	1.0
655.33075	0.4
657.34155	0.6
673.34064	100.0
674.34509	4.4
687.35962	0.4
699.35657	1.4
701.37054	3.8
720.86194	0.4
729.36902	3.8
745.35559	0.6
775.36951	0.4
843.43512	25.1
844.44348	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.1
65.03934	0.7
67.05506	11.8
68.05845	1.1
69.03442	3.7
69.07067	4.5
71.01321	0.7
73.02923	3.1
73.06516	0.7
79.05498	9.9
79.33833	0.6
80.05819	1.0
81.03427	2.1
81.06619	1.4
81.07058	12.2
82.07391	0.8
83.08620	2.1
85.02909	3.7
86.77678	0.6
86.90931	0.8
87.19978	0.7
91.03955	2.1
91.05487	6.8
92.05841	0.8
92.59892	0.7
93.07042	9.0
93.07520	0.7
94.07386	0.8
95.04973	2.3
95.08617	7.2
96.08948	0.8
97.02921	2.8
97.06513	1.4
97.10175	1.9
99.46303	0.7
101.02399	1.3
101.77156	0.6
105.07018	5.5
107.04964	0.8
107.08580	6.2
109.10137	3.1
111.08059	1.3
117.07030	2.1
119.08563	4.8
121.10165	3.1
123.11747	0.9
125.09606	1.0
127.03909	1.0
129.06967	1.0
131.08604	2.9
132.08949	0.7
133.10121	4.2
135.08043	0.8
135.11728	2.0
143.08614	1.4
145.10164	1.6
147.11719	2.8
149.09662	0.8
149.13306	1.8
159.11781	1.5
163.11285	1.1
171.11752	1.0
173.13301	1.3
184.07457	1.4
185.04251	1.5
211.81915	0.7
223.13242	1.1
227.12939	0.8
237.54274	0.8
243.08536	3.8
269.17529	1.8
270.17776	0.7
275.20267	1.7
276.20587	1.0
291.19559	0.8
293.91803	0.7
301.09109	1.0
330.73227	0.7
331.19025	2.1
335.25754	5.2
336.26071	4.0
349.23892	1.3
368.25052	0.8
433.23181	0.8
484.37161	0.7
489.36023	1.1
490.35776	1.0
529.39105	1.7
530.39349	3.8
533.27521	1.7
535.29047	4.6
538.87714	0.7
549.26666	3.7
551.28851	1.2
576.92700	0.7
597.90100	0.7
610.45630	2.8
621.29187	1.2
628.46967	1.4
843.48560	100.0
844.49274	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85674	0.4
61.02929	2.9
65.77932	0.3
67.05510	3.2
69.03444	1.5
69.07074	1.9
69.23634	0.6
69.24033	1.4
72.17065	0.4
73.02926	2.1
79.05485	3.3
79.05806	0.3
81.03432	1.5
81.07056	3.4
83.05006	0.5
83.08622	0.6
85.02897	2.5
91.03980	1.7
91.05476	3.8
93.07053	3.6
95.04970	1.0
95.08608	2.2
97.02900	2.7
101.02399	1.4
105.04575	0.5
105.07021	3.1
107.04949	0.5
107.08595	2.2
109.02955	0.5
109.06552	0.6
109.10178	0.8
117.07046	1.0
119.08621	1.5
121.10166	1.2
127.03917	0.9
129.05531	0.4
131.08566	0.8
133.10135	2.2
135.08029	0.4
135.11739	0.5
143.08727	0.5
145.10196	0.5
147.11757	0.8
151.11270	0.5
159.11690	0.5
161.03320	0.4
161.09718	0.5
185.04341	0.9
193.12318	0.6
203.05406	0.4
234.98447	0.4
243.08282	2.2
250.72128	0.4
294.11960	0.3
297.32492	0.3
301.09152	1.2
313.17661	0.6
313.27444	0.5
315.10651	1.0
317.21164	0.5
327.55673	0.4
331.18674	1.8
385.18524	0.6
387.21432	0.5
433.23245	2.3
451.19431	0.9
465.21313	0.5
482.51306	0.4
519.30048	0.6
531.25873	1.0
535.28802	4.8
549.27216	1.9
565.23273	0.4
586.81244	0.4
607.31250	0.6
745.41705	1.6
774.42230	0.7
825.47583	6.4
826.48352	0.5
843.48572	100.0
844.49023	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.5
65.03951	0.3
65.89170	0.2
67.05506	4.0
69.03422	2.3
69.07066	3.9
71.01330	0.4
71.05015	0.5
73.02914	3.0
75.21451	0.3
79.05499	3.1
81.03419	2.0
81.07061	5.6
81.07507	0.4
83.04997	0.8
83.08640	0.7
85.02907	2.9
85.06560	0.3
87.04497	0.2
91.03962	1.5
91.05475	4.1
93.07043	3.4
95.01334	0.3
95.04983	1.2
95.08607	2.8
95.09132	0.3
95.62035	0.3
97.02867	2.6
97.06568	0.8
97.10191	0.7
98.98434	0.4
99.04483	0.5
99.08079	0.3
101.02379	1.3
105.07033	3.5
107.04938	1.5
107.08591	2.4
109.02892	0.5
109.06548	0.3
109.10171	0.8
111.08131	0.3
113.09608	0.4
117.07030	1.2
119.08558	2.2
121.06554	0.3
121.10168	1.0
123.08085	0.4
125.09656	0.6
127.03925	0.8
131.08554	1.4
133.10126	2.2
135.11725	1.1
145.10115	1.4
147.11723	0.9
149.09674	0.9
149.13248	0.6
151.11284	0.3
159.11723	1.1
161.13339	0.5
163.11238	0.6
175.11282	0.3
175.73778	0.3
179.14340	0.8
184.07335	0.3
185.04286	0.6
203.05299	0.6
209.90889	0.3
243.08377	3.6
262.00754	0.3
275.20050	0.4
285.18576	0.4
301.08878	0.3
311.25845	0.3
315.19318	3.4
333.20334	1.8
371.21979	1.5
389.23074	0.4
439.19656	1.0
453.20956	0.5
533.27203	11.0
534.27448	0.4
551.28320	5.1
843.48560	100.0
844.48877	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	845.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	1.3
61.02941	3.2
67.05505	6.4
69.03445	2.0
69.85413	0.6
71.05008	1.0
73.02949	2.4
79.05515	2.5
81.03417	4.3
81.07057	3.0
83.04996	0.7
83.08608	0.9
85.02894	3.2
85.06570	0.7
85.51488	0.9
87.04482	1.3
91.03991	2.7
91.05504	2.3
93.07066	1.7
95.05002	1.8
95.08644	1.0
97.02890	3.7
99.04482	0.7
99.53308	0.7
101.02425	2.1
105.07051	1.7
107.04985	0.7
107.08617	1.6
108.84662	0.7
109.10158	6.3
111.08067	0.9
112.07617	1.2
119.08639	1.8
121.10175	1.7
127.03941	1.7
131.08575	0.8
133.10146	1.8
147.11800	1.3
149.09662	2.0
173.11845	2.5
175.11150	0.7
184.07370	1.3
185.04236	0.8
193.12321	1.5
195.10037	1.2
203.05316	0.7
211.13278	0.7
225.14940	0.9
229.14430	1.9
243.08496	2.4
267.16107	1.1
283.15170	6.9
301.08902	0.9
305.67511	0.7
339.17816	1.1
367.17450	0.8
409.61734	0.6
413.17828	16.0
427.19186	0.9
469.20398	1.6
501.23090	17.3
511.28592	1.4
529.22424	1.9
577.05328	0.7
585.29218	1.4
657.34351	2.2
673.34058	100.0
674.34247	4.0
675.36176	0.8
701.36871	1.8
729.36584	4.5
814.76880	0.9
845.44806	35.7
846.44812	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.1
65.03963	0.5
67.05500	3.9
69.03438	2.2
69.07059	2.0
69.47076	0.8
69.47437	1.4
71.04976	0.4
73.02914	3.2
79.05495	3.4
81.03432	1.6
81.07053	4.4
83.04979	0.6
83.08598	0.6
85.02903	4.1
85.03356	0.4
86.09726	1.8
91.03952	2.0
91.05472	2.7
93.07040	4.3
95.04976	0.7
95.08618	1.9
97.02886	2.9
97.10172	0.5
98.22684	0.8
98.98470	0.4
99.04499	0.8
101.02362	2.0
105.07036	2.8
107.08582	1.9
109.02905	0.5
109.10155	1.0
109.97360	0.4
117.07026	0.7
119.08625	1.7
121.10184	1.3
125.00055	1.2
127.03970	1.3
129.07063	0.8
131.08572	1.1
133.10158	1.6
135.11717	1.4
143.08638	0.4
145.10141	0.6
147.11710	1.0
159.11798	0.6
161.13332	0.5
184.07336	4.2
185.04204	0.9
203.05392	0.5
243.08394	3.0
301.08929	0.9
313.09143	0.5
317.21017	0.5
333.20251	2.5
368.58496	0.5
373.23404	0.5
397.18713	0.6
418.76089	0.4
439.19666	1.1
453.21109	1.3
465.21289	0.8
535.28687	6.6
535.35992	0.6
551.28265	4.5
552.28424	0.6
623.30560	0.9
679.34393	0.4
747.43451	0.6
845.50146	100.0
846.50446	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06654	1.4
67.05518	4.3
69.03426	2.9
70.57191	2.3
73.02924	3.6
79.05500	2.9
81.07068	2.8
85.02917	3.7
91.03976	3.4
91.05488	3.7
91.64192	1.5
93.07068	4.0
95.08635	1.9
105.07066	3.6
107.08606	1.7
119.08611	2.4
123.31264	1.5
145.97887	1.5
184.07336	1.7
185.04292	1.6
243.08571	4.1
301.09195	2.4
333.20346	3.4
385.50150	1.8
492.07074	1.9
513.47192	1.8
535.28937	6.6
551.28119	7.6
653.59985	1.5
845.50220	100.0
846.50354	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.8
67.05509	5.4
69.03432	3.3
69.07065	1.6
71.05015	1.1
73.02919	3.7
74.63329	0.3
79.05495	3.8
81.03420	1.8
81.07062	5.6
82.39616	0.3
83.04991	0.7
83.08628	0.6
85.02908	5.0
86.09724	0.4
87.04500	0.4
91.03951	3.1
91.05488	3.2
93.07047	4.1
95.04987	0.9
95.08609	4.1
97.02892	4.6
97.03491	0.4
97.06555	1.3
97.10185	0.4
99.04475	0.6
101.02396	1.7
103.03925	0.6
105.07024	1.4
107.08604	2.0
109.02891	0.6
109.10180	1.4
115.04007	0.4
117.07035	0.6
119.08626	0.9
121.10170	1.2
123.11740	0.5
124.99993	0.4
127.03953	1.3
131.08571	0.7
133.10161	0.6
134.67975	0.3
135.08203	0.3
135.11748	1.0
136.59238	0.3
137.05782	0.5
145.10155	0.6
147.11754	0.5
149.13301	0.4
159.11673	0.5
184.07454	0.4
185.04259	0.4
229.14360	0.3
243.08351	1.9
252.62514	0.3
269.85831	0.3
335.25919	0.7
349.19827	7.8
405.22372	0.5
439.19559	0.9
453.21432	0.4
498.09909	0.3
519.29236	4.9
567.27826	2.3
649.73584	0.3
710.60114	0.4
747.43604	0.4
761.67120	0.4
845.50146	100.0
846.50458	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	845.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68759	0.2
67.05492	0.3
83.00672	0.2
83.01094	1.1
87.04477	0.5
89.04890	0.1
89.06036	1.6
90.06371	0.2
91.05484	0.3
95.04758	0.3
95.08598	0.2
95.54984	0.2
97.02711	0.2
98.03455	0.3
111.04187	2.9
111.04834	0.2
112.05005	0.5
118.46371	0.2
121.06551	0.5
122.06876	0.2
125.05811	0.3
126.06522	0.4
127.03693	1.6
133.07672	0.3
133.08531	0.9
134.08925	0.3
135.09064	0.2
136.06212	0.4
139.07281	0.9
140.08107	0.3
141.05247	0.7
142.06073	0.4
155.06772	2.6
156.07634	0.6
169.08366	0.4
170.03868	0.2
170.09163	0.5
171.06299	1.7
177.11278	0.2
178.11661	0.3
183.09880	1.0
184.07349	0.5
184.10666	0.4
185.07837	0.9
186.08659	0.4
197.90256	0.2
199.09421	2.7
199.11075	0.2
200.10123	0.4
213.11012	0.2
214.11746	0.6
215.08992	1.2
216.09744	0.3
227.12456	0.8
228.13191	0.2
230.11414	0.4
243.12009	2.7
243.14061	0.2
246.10931	0.3
257.13675	0.7
259.11697	0.6
271.15182	1.8
273.13095	0.3
274.13699	0.2
278.22150	0.2
287.14648	2.5
287.17496	0.3
301.16272	0.3
303.14224	0.5
315.17865	0.8
331.17178	2.1
347.16946	0.5
359.20438	0.3
375.19724	1.3
391.19504	0.7
403.23404	0.3
419.22452	2.2
435.22052	1.0
463.24966	0.9
479.24646	0.9
507.27646	1.7
523.27069	0.9
551.30316	0.4
567.29932	0.7
585.28619	0.4
595.32843	1.3
603.26672	0.4
611.32349	1.0
639.35730	0.5
673.32428	0.3
733.39233	0.3
773.43115	0.7
774.43127	0.2
798.01868	0.2
845.52222	100.0
846.52606	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	845.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.7
67.05515	1.1
68.02425	0.6
69.03424	0.3
69.74423	0.6
71.04985	0.4
73.02923	0.5
75.38100	0.2
76.00719	0.3
81.03437	0.7
81.07081	0.4
83.01101	2.5
85.02914	0.6
89.06055	0.6
90.06382	0.3
91.03954	0.3
93.37399	0.3
97.02875	0.5
98.03481	0.6
98.23439	0.3
101.45124	0.2
109.10189	0.9
111.04206	3.8
112.05037	0.9
125.05797	0.3
127.03674	2.6
133.08672	0.5
139.07375	0.4
141.05301	0.6
142.06088	0.7
149.09636	0.3
155.06769	2.6
156.07652	0.5
171.06270	2.7
173.11751	0.4
183.10022	0.4
184.07330	0.6
185.07901	0.6
186.08699	0.5
188.06570	0.3
199.09402	1.9
200.10225	0.4
215.08861	1.5
227.12627	0.3
243.12088	1.7
259.11554	0.5
271.15250	1.0
283.15051	0.4
285.10013	0.3
287.11914	0.3
287.14624	1.3
289.14206	0.9
303.14169	0.6
315.17892	0.3
331.17517	1.2
333.16779	3.3
347.16986	0.6
358.92715	0.3
375.20105	0.4
377.19385	4.2
391.19571	0.5
413.17841	2.5
419.22614	0.3
421.21982	4.1
435.21988	0.6
465.24545	4.8
469.20236	0.3
477.28592	0.3
484.95517	0.3
501.23163	1.5
507.27850	0.4
509.27182	2.7
553.29932	2.2
585.29315	0.8
597.32587	0.9
641.33386	0.4
657.34503	0.6
673.34125	10.8
674.34296	0.8
729.36499	0.7
733.39154	0.5
773.42682	0.7
845.52399	100.0
846.52869	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	846.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	1.0
65.03947	0.9
67.05505	6.6
68.99807	0.9
69.03421	2.7
69.07072	2.4
69.62044	1.4
69.62408	1.3
71.05009	0.7
79.05487	6.3
81.03416	2.5
81.07053	8.5
83.04986	1.5
83.08596	2.8
85.02906	10.0
85.06532	0.7
91.05486	4.3
93.03405	1.4
93.07045	6.0
95.04961	2.5
95.08617	6.0
97.02880	2.2
97.06515	4.7
98.23328	0.9
99.04425	1.1
105.07024	2.9
107.04939	2.4
107.05584	0.6
107.08587	3.4
109.02892	1.6
109.06487	1.4
109.10110	2.9
111.04411	4.1
111.08077	1.8
115.05478	0.9
117.07005	2.0
119.04977	1.7
119.08587	2.5
121.02857	1.6
121.06516	1.9
121.10143	6.7
123.04432	7.4
123.08091	0.9
125.09584	0.8
127.03905	11.6
129.07054	0.6
130.21004	0.6
131.04898	1.1
131.08554	1.6
133.02832	0.9
133.06503	3.8
133.10109	4.6
135.04405	1.3
135.11688	3.6
137.05954	1.6
139.03899	68.0
145.04958	4.0
145.06477	2.1
145.10117	4.9
147.04401	5.8
147.08109	1.1
149.02293	0.9
149.06004	3.2
149.09659	1.2
151.03906	2.6
151.07530	1.1
151.11169	5.2
153.05502	4.2
155.03389	31.8
157.06528	1.1
159.04390	3.4
159.08031	1.5
161.05971	8.4
163.03899	22.4
163.06058	2.8
163.07550	4.6
163.11176	4.2
165.05475	15.0
165.09122	1.0
166.03345	0.5
167.03404	1.1
167.07045	1.2
169.05009	0.8
169.10155	0.9
171.04361	1.1
173.05963	3.9
175.04144	0.7
175.07529	2.1
177.05464	9.1
177.09120	2.3
179.03433	5.5
179.07021	20.8
181.04906	1.8
181.06433	0.6
183.11670	0.7
185.06026	0.8
187.07556	4.2
189.05460	7.9
189.09129	1.2
191.03369	0.9
191.07037	9.3
193.04950	1.3
193.08582	6.0
197.05849	0.9
197.13152	1.1
201.09135	2.2
203.07039	4.9
205.04938	3.4
205.08614	8.0
207.11655	1.3
211.07516	1.4
213.05608	0.7
215.07071	1.1
215.14339	2.1
217.08534	1.0
219.10146	1.6
221.04414	4.0
225.12778	2.7
229.08632	1.9
233.15361	2.6
235.11273	1.0
235.16885	1.4
243.10100	1.5
243.13736	6.6
245.04536	1.4
245.15343	0.7
247.13249	3.0
253.12212	4.4
261.14798	6.5
263.16388	2.7
265.14377	8.9
271.13303	15.9
285.14810	1.3
289.14322	39.3
290.14670	1.1
307.15387	78.4
308.15735	1.5
313.14331	1.0
325.16449	100.0
326.16760	2.3
327.15784	1.1
331.15314	7.1
343.17517	32.9
344.17880	0.8
349.16458	4.7
355.15216	0.8
367.17545	3.2
373.16486	7.6
379.15320	0.9
391.17587	5.6
397.16476	2.5
409.18607	7.5
415.17328	3.2
433.18341	3.0
451.19571	2.4
469.20718	1.7
637.84003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05499	2.7
69.03421	0.6
69.07059	1.8
69.48805	1.4
69.49202	0.8
73.02950	0.4
79.05499	5.3
81.03407	0.9
81.07059	5.3
83.04976	0.7
83.08609	1.6
85.02906	5.7
91.05476	3.9
93.03397	0.7
93.07042	5.1
95.04946	1.7
95.08604	3.2
97.02889	1.0
97.06536	4.3
98.23431	0.8
105.07027	1.5
107.04943	1.9
107.08601	2.7
109.02884	1.1
109.06559	0.9
109.10157	1.5
111.04427	1.8
111.08085	1.1
115.05508	0.5
117.07011	1.1
119.04941	1.0
119.08598	2.4
121.02865	1.0
121.06510	0.7
121.10133	7.0
123.04417	4.9
123.08064	0.9
125.09579	0.8
127.03913	7.8
129.07014	1.0
131.04910	0.9
131.08565	0.9
133.02832	0.6
133.06493	1.8
133.10141	4.1
135.04419	0.5
135.08061	0.6
135.11664	1.3
137.06015	0.9
139.03899	50.7
143.04921	0.6
145.04970	1.9
145.06461	1.6
145.10127	5.8
147.04453	3.5
147.08037	0.9
149.05969	2.1
149.09671	1.0
151.03909	1.6
151.07478	0.5
151.11180	5.5
153.05489	3.1
155.03383	23.4
159.04443	1.9
159.07977	0.7
161.05948	5.7
163.03905	17.7
163.06055	1.1
163.07533	2.8
163.11194	4.8
165.05476	9.1
165.06802	0.9
171.02940	0.5
173.05937	2.7
175.03903	0.6
175.07541	2.0
177.05472	5.6
177.09140	1.9
179.03421	3.2
179.07027	17.0
179.08632	0.9
181.04938	1.0
183.11807	0.5
185.05945	1.0
187.07555	2.8
189.05473	6.1
189.09129	0.6
191.07022	7.7
193.04964	0.9
193.06894	0.7
193.08589	6.1
197.05981	0.6
197.13243	1.1
201.09149	0.8
201.12704	0.6
203.07027	3.6
205.04962	4.4
205.08592	7.1
211.07536	0.9
215.07062	0.9
215.14348	0.6
217.08626	0.7
221.04349	2.3
225.12718	2.5
229.04985	0.9
229.08559	1.2
233.15256	0.9
235.11285	0.9
243.10127	1.2
243.13747	3.5
245.04385	1.2
253.12257	3.7
261.14929	4.0
271.13287	14.6
285.14890	0.5
289.14337	30.9
295.13293	0.6
307.15384	100.0
308.15714	1.4
325.16467	24.2
331.15424	6.2
343.17517	26.8
349.16406	4.3
355.15332	0.8
367.17526	0.5
373.16431	6.9
384.04337	0.5
391.17520	6.5
397.16486	1.7
409.18475	0.5
415.17560	2.9
416.95526	0.5
433.18555	2.7
451.19617	1.7
469.20639	1.6
689.89990	0.5
692.74878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.9
65.03915	0.9
67.05506	19.8
69.07066	4.5
71.04993	1.1
71.09977	0.7
77.03928	1.6
79.05493	32.4
81.03410	3.5
81.07060	17.7
83.04990	5.2
83.08601	3.4
85.02906	2.1
85.06535	1.4
91.03960	1.2
91.05483	26.6
93.07048	34.3
95.04972	10.9
95.08605	11.7
97.02911	1.3
97.06551	1.9
97.10174	1.8
105.04527	2.5
105.07034	18.8
107.04972	2.7
107.08604	9.3
109.06509	3.2
109.10184	2.3
111.08118	0.6
117.07031	3.6
119.08577	10.8
121.06496	1.3
121.10153	1.4
123.08093	2.5
127.07554	0.7
128.06200	1.3
129.07007	9.8
131.08577	1.0
133.10106	5.5
135.11748	0.9
143.08534	4.6
145.10104	5.6
147.08063	1.5
147.11685	19.0
159.11731	0.9
161.09656	2.3
161.13295	6.5
163.11182	0.8
163.22183	0.6
170.29671	0.7
171.11699	15.2
185.47360	0.6
189.12758	5.5
207.13799	11.7
223.57790	0.7
225.14821	1.0
263.16434	1.2
281.17493	34.6
282.17908	0.8
303.90741	0.8
389.90027	0.9
414.17828	0.7
435.16467	0.7
456.77820	0.7
469.29590	2.3
487.30573	100.0
488.31055	4.0
567.32336	1.0
586.29382	1.1
658.34479	1.4
674.34357	0.7
846.43542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.5
61.02630	0.9
61.02926	11.0
65.03937	2.4
67.05504	92.2
68.05837	0.6
69.03429	2.2
69.07065	7.7
70.60817	1.0
71.04997	3.6
73.02913	3.7
79.05040	1.1
79.05494	20.9
81.03439	1.7
81.07058	37.7
83.04977	1.2
83.08624	8.1
85.02904	14.0
85.06546	3.0
91.03957	9.3
91.05480	15.2
93.06445	1.3
93.07046	27.7
95.04984	2.6
95.08605	27.9
96.04462	0.6
97.02885	6.9
97.06535	1.6
97.10159	2.5
99.04439	0.7
99.08094	1.2
105.04550	0.7
105.07030	8.0
107.08595	14.5
109.02885	1.1
109.10156	79.6
111.08102	2.8
117.07026	3.8
119.08577	10.6
121.10143	11.4
123.08068	0.8
123.11708	4.8
125.09633	1.6
127.03900	3.6
129.07062	0.6
131.08565	6.4
133.10110	6.1
135.11694	9.6
137.09605	3.2
137.13295	1.7
143.08543	0.7
145.04944	4.1
145.10130	5.1
147.11682	4.5
149.13246	5.6
155.10661	5.4
157.10207	0.8
159.11691	4.5
161.13242	3.4
163.06030	4.7
163.14809	3.5
167.09775	0.5
167.47530	0.5
173.11768	20.6
173.13251	3.5
175.14804	0.9
177.16441	0.6
187.14848	1.7
189.11240	0.8
198.15816	0.6
199.14917	0.6
201.16325	0.9
213.14876	0.6
219.17397	0.6
227.12759	7.0
229.14345	100.0
230.14745	1.9
243.21101	6.4
247.09406	0.6
261.22144	21.9
263.23730	0.6
317.24744	3.2
335.25797	84.6
336.26294	1.8
367.24622	0.6
373.18402	0.9
379.29840	1.5
381.26297	0.8
397.31039	1.7
415.32175	1.7
471.34589	2.8
489.35745	83.4
490.35925	3.7
507.36716	8.8
633.39813	1.5
848.50330	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	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	3.3
61.02925	10.3
65.03928	2.6
67.05504	90.8
68.05822	0.8
69.03424	2.7
69.07065	7.2
71.05000	3.2
73.02911	4.1
76.43853	0.6
79.05494	17.1
81.07053	34.8
83.04987	0.8
83.08614	7.8
84.72029	0.6
85.02903	12.8
85.06546	3.2
91.03960	9.1
91.05481	13.0
93.07044	22.2
95.04984	2.1
95.08603	23.3
96.04484	0.8
97.02895	6.5
97.06544	1.0
97.10164	2.5
99.04472	1.3
99.08112	0.9
105.04485	1.0
105.07037	5.8
106.62758	0.5
107.08588	12.6
109.02895	0.8
109.06524	1.3
109.10155	71.0
110.10489	0.9
111.08106	2.9
115.05423	0.6
117.07029	2.8
119.08573	9.4
121.10161	9.3
123.11713	3.3
125.09619	1.6
127.03906	3.4
127.11158	0.6
131.08565	6.5
133.10115	3.7
135.11685	6.4
137.09592	3.3
137.13269	1.2
145.04967	3.3
145.10141	4.1
147.11691	3.1
149.13248	5.0
151.14912	0.7
155.10643	5.7
157.51297	0.6
159.11707	3.6
161.13274	3.4
162.12175	0.6
163.06013	4.7
163.14809	2.3
173.11758	20.7
173.13234	2.9
175.14867	1.3
177.16449	1.3
184.07387	0.7
187.14799	2.0
189.11195	0.6
201.16267	0.7
201.77303	0.6
215.79160	0.6
227.12781	8.3
229.14339	100.0
230.14674	0.8
243.21068	4.8
261.22156	17.7
279.23340	0.7
317.24646	3.1
333.24158	1.0
335.25787	66.2
336.26028	1.3
373.19012	0.8
379.30051	1.5
397.30954	2.2
415.32083	1.8
433.33371	0.7
435.30856	0.7
471.34802	2.8
489.35736	50.4
490.35754	1.4
507.30194	0.9
507.36935	8.7
633.39709	0.8
848.50635	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	849.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.5
67.05503	4.5
69.03426	1.7
69.07074	1.0
73.02913	2.7
79.05484	2.7
81.03427	1.3
81.07053	5.2
83.08615	0.5
85.02917	2.6
91.03965	1.6
91.05489	2.4
93.07043	3.0
95.04983	0.8
95.08599	3.7
97.02892	2.6
97.10181	0.7
99.04446	0.7
100.99937	0.5
101.02401	1.5
105.07078	1.3
106.45289	0.5
107.08612	1.5
109.10193	0.9
121.10168	1.0
123.11639	0.4
127.03946	0.6
131.08583	0.7
133.10117	0.7
135.11728	1.0
144.59801	0.5
149.13258	0.7
159.11769	0.6
173.13268	0.5
243.08492	1.9
335.22116	1.8
391.24225	0.5
439.19760	1.2
533.39020	0.4
537.30365	6.4
553.29730	4.9
561.69269	0.5
767.12720	0.5
849.53271	100.0
850.53400	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	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.0
67.05506	49.6
69.03433	5.5
69.07071	14.5
71.04996	5.1
77.03951	1.3
79.05497	30.8
81.03426	7.6
81.07057	52.7
83.01306	1.1
83.04985	11.9
83.08627	4.3
85.02901	1.3
85.06541	4.4
90.76568	1.0
91.05482	51.3
93.07043	34.0
95.04969	12.4
95.08613	18.6
97.06538	5.8
97.10194	2.0
99.04449	2.2
103.05468	2.2
105.04510	1.8
105.07032	45.5
107.04955	8.2
107.08596	33.4
109.06531	9.5
109.10156	44.1
110.30785	0.9
111.08090	2.7
113.06003	1.7
117.07015	6.6
119.04947	1.3
119.08566	11.7
121.06506	9.7
121.10155	6.3
123.08095	5.0
123.11687	6.9
125.09654	1.3
127.07554	1.9
128.06239	3.1
129.07004	4.5
130.07716	1.0
131.04898	1.2
131.08568	12.6
133.06493	4.5
133.10129	62.0
135.08072	8.5
135.11681	5.1
137.09595	2.0
143.08534	4.8
145.06425	1.2
145.10115	6.9
147.08090	3.6
147.11716	4.3
149.09596	6.8
151.11182	32.6
155.08508	1.2
157.10146	2.1
159.08015	2.4
159.11700	3.2
161.09586	6.7
161.13222	1.8
163.07652	1.4
163.11205	2.3
169.10097	1.1
169.12227	5.6
171.11662	4.0
173.09590	1.5
173.13213	1.6
175.11206	4.1
176.27257	1.2
177.09152	2.8
179.10666	2.6
187.11134	2.4
195.11816	0.9
197.11713	2.8
205.12361	1.1
208.92628	0.9
215.12840	4.0
227.18030	1.0
229.14330	2.5
245.19080	3.6
251.12819	1.2
253.14348	100.0
255.17546	2.3
263.20145	2.8
271.15341	3.2
273.18500	31.2
291.19537	23.5
309.20514	1.6
329.21317	1.2
347.22318	8.3
365.23233	32.4
421.25864	1.2
449.25424	15.0
493.38547	2.1
525.31757	1.4
543.33209	7.0
561.34186	8.4
613.98456	1.1
637.40771	5.4
644.50574	1.1
655.42017	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.2
67.05504	18.8
69.03431	7.6
69.07068	22.4
69.61044	1.3
71.04949	1.4
77.03901	0.6
79.05490	16.8
80.89745	0.3
81.03418	4.0
81.07055	14.1
81.07505	0.5
83.04539	0.3
83.04983	3.6
83.08622	6.6
85.02869	0.8
85.06482	1.0
91.05478	13.2
93.07047	12.7
95.01305	0.7
95.04971	7.1
95.08601	7.3
97.02274	0.3
97.02890	8.0
97.06528	2.8
97.10169	11.3
103.05449	0.5
105.03341	0.6
105.04504	0.7
105.07028	10.5
107.04272	0.4
107.04955	6.9
107.08590	9.8
109.02850	0.6
109.06525	2.7
109.10152	6.5
111.04432	0.7
111.08087	1.6
112.34399	0.3
115.05401	1.0
116.06244	0.5
117.07015	5.8
119.04897	1.1
119.07774	0.6
119.08575	9.6
120.05702	0.8
121.06524	2.2
121.10130	3.3
123.04381	0.5
123.08067	2.9
123.11671	0.7
125.08720	0.4
125.09630	7.7
127.03836	0.4
128.06203	0.7
129.06999	3.1
130.07756	0.5
131.04868	0.5
131.08568	6.4
133.06471	3.1
133.10126	3.6
134.07335	1.5
135.08055	3.2
135.11664	1.6
137.09628	1.8
139.87480	0.3
141.07007	0.5
142.07800	0.5
143.08562	2.6
144.09262	0.3
145.06438	0.7
145.09122	0.4
145.10120	5.1
147.08058	5.1
147.11702	2.2
149.09622	1.5
149.13248	1.6
151.11134	0.7
153.09058	0.9
153.12840	0.3
157.10130	2.3
159.08041	0.7
159.11668	1.6
159.60544	0.3
161.09622	2.1
161.13200	0.8
162.10381	1.0
163.11102	1.7
165.09169	1.5
169.10085	0.5
169.12141	0.8
171.10167	0.8
171.11661	1.3
173.09572	0.6
173.11749	0.3
173.13199	0.6
175.11159	2.7
176.04282	0.3
177.09074	0.5
177.12726	1.1
183.11674	0.4
185.13222	0.6
187.11076	0.4
187.13358	0.4
189.11172	3.7
189.12726	0.6
193.12218	0.7
195.13782	0.8
199.11133	0.4
205.12282	2.1
211.13187	0.5
213.14664	0.3
217.19392	0.3
223.13289	16.6
227.12778	6.5
227.17830	0.5
231.17314	0.4
233.87367	0.3
245.19107	1.5
249.14867	3.9
255.17467	1.0
261.14755	0.4
263.19955	0.9
267.15979	1.5
273.18481	14.8
275.20032	0.5
283.15500	0.5
291.19528	100.0
292.19861	1.8
297.16861	0.4
309.20547	1.2
329.21155	0.5
347.22198	2.8
349.23718	0.5
365.23221	53.9
366.23544	1.1
387.25461	0.3
517.32123	0.4
535.32593	1.0
555.73810	0.4
557.34589	1.7
573.34155	0.3
575.36017	2.1
587.35980	1.0
627.42841	0.3
628.51520	0.3
637.41101	3.4
655.41998	52.4
656.42419	2.1
673.42755	0.7
684.26813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	2.3
67.05502	44.3
69.03430	8.7
69.07064	23.9
69.65831	2.6
71.04994	3.6
73.02869	0.7
77.03883	0.8
79.05491	33.1
81.03416	8.0
81.07053	48.3
83.04552	0.6
83.04974	8.2
83.08621	8.6
85.02856	1.2
85.06549	4.7
91.05475	41.7
93.07037	30.7
95.04967	11.5
95.08605	16.6
97.02886	6.3
97.06525	5.5
97.09609	0.8
97.10168	9.1
98.23438	1.2
98.71346	0.7
99.04404	2.0
99.07987	0.7
101.09671	0.7
103.05434	1.4
105.04469	2.3
105.07027	31.6
107.04945	10.1
107.08591	26.1
108.05709	0.8
108.08958	0.6
109.02863	0.9
109.06515	6.9
109.10152	37.5
111.04417	1.6
111.08052	3.0
113.05973	1.7
115.05400	2.2
116.06228	1.1
117.07015	9.6
119.04919	1.5
119.06017	0.8
119.07784	0.8
119.08569	14.9
120.05674	0.9
121.06507	9.9
121.10122	6.1
123.04391	1.4
123.08057	4.7
123.11690	6.1
125.09635	6.7
127.07514	2.1
128.06210	2.3
129.06998	5.7
130.07727	1.1
131.07678	1.1
131.08566	13.5
132.05663	0.9
133.06477	5.4
133.10123	45.6
135.08020	6.7
135.11668	4.5
137.09567	2.4
139.11105	0.9
141.06921	0.9
143.08556	6.4
145.06447	1.6
145.10097	8.0
147.08046	6.6
147.11717	5.1
149.09605	5.2
149.13214	1.9
151.07591	0.9
151.11180	19.7
155.08484	1.2
157.10103	3.9
159.08032	2.1
159.11717	4.5
161.09583	5.0
161.13206	1.4
163.07500	1.2
163.11139	2.4
165.09065	2.1
169.10127	1.1
169.12209	4.2
171.10229	1.5
171.11664	3.5
173.09578	1.3
173.11674	0.9
173.13176	1.2
175.11166	4.1
177.09085	1.5
177.12679	2.2
179.10663	2.0
181.92194	0.7
183.11638	1.1
185.13249	1.5
189.11140	2.6
189.12634	0.8
193.12206	1.1
195.13759	1.2
197.11705	1.3
199.10979	0.9
199.14781	0.9
205.12309	1.0
207.13777	1.0
215.12799	2.7
223.11255	1.3
223.13286	15.6
227.12737	3.2
227.17900	2.0
237.16473	1.0
245.18977	4.6
249.14920	2.9
249.18542	0.8
251.12775	3.4
253.14334	96.7
254.14552	1.2
255.17403	2.5
262.15906	0.9
263.20007	2.9
267.15839	1.3
273.16003	0.6
273.18478	33.1
291.19531	100.0
292.19794	1.7
309.20575	2.2
329.20816	1.3
341.26468	0.8
347.22162	11.9
365.23209	58.3
366.23709	1.8
423.23758	1.6
500.88461	0.7
531.69287	0.8
543.33270	6.8
557.35101	1.1
559.32507	1.1
561.34174	20.2
573.34064	1.4
575.35968	1.9
637.40894	10.6
655.41949	41.1
656.42328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.3
67.05507	44.9
69.03421	4.2
69.07074	12.3
71.04978	3.6
79.05048	1.4
79.05495	29.1
81.03422	6.1
81.07056	46.2
82.64459	0.8
83.04981	9.6
83.08596	4.5
85.02906	0.8
85.06515	5.2
91.05482	42.8
93.06447	1.5
93.07046	32.0
95.04979	12.1
95.08609	15.8
97.02883	1.7
97.06554	4.5
97.10146	1.9
99.04446	1.8
103.05464	2.2
105.04541	1.8
105.07029	38.4
107.04949	7.2
107.08591	26.3
109.02895	1.0
109.06519	8.4
109.10159	36.6
111.08067	2.7
111.77110	0.8
113.06004	2.3
115.05478	1.4
117.07011	6.7
119.08595	10.2
121.06508	8.9
121.10144	7.2
123.04382	1.2
123.08074	4.7
123.11715	6.6
125.09644	1.2
127.07524	2.4
128.06216	1.9
129.06183	0.9
129.06984	4.6
131.08571	11.6
132.60670	0.8
133.06519	5.1
133.10129	57.1
133.66429	0.8
135.08078	7.4
135.11694	5.4
137.09604	2.3
143.08574	5.5
145.06494	1.9
145.10133	6.9
147.08034	3.8
147.11714	4.6
149.09645	6.0
149.13226	1.7
151.11174	32.9
155.08548	1.5
157.10124	3.6
159.08055	2.4
159.11684	3.7
161.09642	8.2
161.13235	2.0
163.07367	0.9
163.11179	1.5
165.09135	1.7
165.12694	0.9
169.10158	1.2
169.12207	5.6
171.11702	2.8
173.09709	1.0
173.13216	1.1
175.11180	3.7
177.09119	2.8
177.12741	1.3
179.10678	3.2
181.10159	0.8
185.09656	1.2
185.13289	1.4
187.11122	1.3
189.12755	2.3
191.10703	1.0
193.12268	1.3
195.11687	1.1
199.11246	0.9
215.12796	4.5
227.17979	1.6
237.16322	1.4
245.19020	5.8
251.12807	2.9
253.14342	100.0
254.14586	1.2
255.17563	3.9
263.20056	3.5
265.07370	0.9
267.15964	0.8
271.15414	3.7
273.18491	37.8
274.18842	1.0
291.16205	1.7
291.19528	33.7
309.20734	1.7
324.40091	1.0
329.21143	2.2
347.22128	12.2
365.23236	32.6
373.52875	0.9
415.13547	0.9
421.25919	1.8
449.25372	14.3
469.29251	0.8
515.33539	0.9
525.32257	1.4
543.33124	10.1
561.34204	12.6
637.40845	7.1
655.31677	1.5
655.42078	29.2
656.41937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.2
61.72002	0.3
67.05503	7.6
69.03428	4.0
69.07092	1.4
71.01353	0.7
71.05013	0.7
73.02914	4.9
79.05490	3.1
80.25697	0.3
81.03407	2.2
81.07063	4.4
83.04999	0.5
83.08628	0.6
85.02908	8.0
85.06552	0.4
87.04475	0.5
91.03957	4.0
91.05471	2.9
93.07044	3.9
95.04999	1.2
95.08608	2.6
97.02896	7.1
97.06533	0.6
97.10197	0.4
98.22679	0.5
99.04469	0.9
101.02380	1.8
103.03947	0.7
105.07029	1.6
107.04989	0.3
107.08591	1.8
109.02916	0.8
109.06538	0.5
109.10160	3.5
111.08115	0.4
115.03905	0.7
117.07066	0.6
119.08607	1.1
121.10167	1.2
125.09621	0.3
127.03911	2.3
129.05478	0.4
131.08598	1.1
133.10168	1.3
135.11734	0.7
145.05014	0.3
145.10139	0.6
147.08177	0.4
147.11755	0.6
149.13249	0.5
155.10748	0.4
159.11658	0.4
168.80363	0.4
173.11755	0.7
185.04279	0.6
195.09970	0.8
203.05359	0.5
229.14474	0.5
235.31155	0.3
243.08333	2.0
251.12616	0.6
253.14473	0.5
269.17719	0.4
273.18628	0.7
275.20276	0.4
291.19662	1.2
335.26065	0.6
347.09464	2.9
347.22665	0.4
363.08847	0.5
365.10681	0.9
365.23312	1.1
378.15216	0.3
405.13660	6.0
413.17770	6.4
519.29272	6.7
532.42584	0.3
545.35760	0.4
559.36365	1.1
575.23041	4.3
681.34503	7.6
691.40387	2.3
853.45477	100.0
854.45929	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	853.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.2
65.03957	0.3
67.05507	5.9
69.03432	3.0
69.07074	1.0
69.27122	1.4
71.01366	0.6
71.04993	0.7
73.02914	3.0
74.97424	0.3
79.05493	2.0
81.03416	1.5
81.07064	3.3
83.04981	0.4
83.08618	0.9
85.02902	5.2
87.04484	0.6
91.03957	3.0
91.05482	2.0
93.07041	1.9
95.04980	0.7
95.08597	1.8
97.02303	0.2
97.02890	5.1
97.06543	0.4
99.04465	1.0
101.02379	1.8
103.03943	0.4
105.07005	1.3
107.08624	1.1
109.02918	0.7
109.10152	5.1
115.03974	0.4
117.07048	0.5
119.08611	0.8
121.10188	0.7
123.07971	0.3
127.03905	1.6
129.59630	0.2
131.08565	0.7
131.48730	0.3
133.10190	0.9
135.11732	0.6
137.09622	0.4
145.05057	0.3
145.10194	0.3
147.11708	0.3
151.11183	0.4
155.10667	0.4
159.11755	0.4
165.16585	0.3
173.11722	1.5
173.82417	0.3
185.04318	0.9
195.09929	0.4
203.05309	0.3
229.14436	1.1
231.01132	0.3
236.35876	0.3
243.08400	1.9
251.12633	0.6
253.14455	1.0
271.68298	0.3
273.18552	0.3
275.20148	0.7
290.15491	0.3
291.19644	0.8
335.25818	0.4
347.09525	2.1
347.22116	0.3
363.08914	0.3
365.10764	0.7
365.23364	0.9
373.90045	0.3
383.18997	0.3
405.13733	5.5
413.17822	9.6
460.21234	0.3
515.25543	0.3
519.29236	4.9
559.36359	0.5
575.23029	8.2
638.41577	0.4
656.42743	0.5
681.34467	3.9
691.40057	2.0
853.45459	100.0
854.45721	4.5
860.11963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	13.4
65.03935	2.5
67.05507	85.8
68.60625	0.8
69.03426	5.3
69.07074	16.8
69.47336	1.9
71.01353	1.5
71.04997	14.3
73.02921	6.6
73.06575	0.7
79.05495	35.6
81.03419	11.3
81.07059	89.8
82.07398	0.8
83.04988	7.9
83.08623	17.9
85.02905	19.8
85.06546	7.7
87.04462	2.8
88.18779	0.9
91.03957	10.3
91.05481	26.9
93.07048	46.6
95.04972	8.0
95.08612	20.4
97.02895	8.8
97.06529	11.4
97.10161	8.3
99.04469	1.9
99.08111	1.6
103.03934	1.5
105.04525	1.9
105.07037	11.0
107.04952	4.0
107.08595	31.1
109.02898	1.0
109.06522	4.4
109.10160	31.5
111.04450	1.8
111.08085	6.9
113.09651	0.9
117.07021	9.4
119.08572	7.0
121.06516	2.3
121.10153	16.0
123.08067	2.1
123.11711	8.7
125.09658	5.5
127.03928	3.7
127.07574	0.9
129.05479	2.3
129.07025	2.1
131.08575	9.0
133.10126	15.2
135.08051	2.6
135.11693	9.1
137.09631	1.6
139.11142	1.3
145.04980	4.3
145.10083	3.5
147.08089	1.8
147.11703	2.6
149.09628	1.1
149.13258	20.8
151.11179	4.6
153.12755	1.9
155.10684	2.2
157.10181	1.3
159.11716	8.6
163.06041	5.7
163.11188	4.6
165.12782	2.2
169.12192	0.9
173.04521	1.1
173.09590	1.2
173.11765	7.2
175.11180	1.3
177.12779	4.4
181.12288	0.8
183.13826	1.6
187.13315	2.4
193.12257	2.8
195.13802	10.4
199.13272	4.0
209.11732	4.2
211.13335	2.0
213.14859	1.1
219.13905	0.9
225.14784	0.7
227.12755	4.8
229.14349	29.9
239.16417	1.9
251.16661	1.0
257.13925	1.4
257.17422	1.3
263.16336	0.7
267.15891	7.8
269.17484	43.6
270.17688	1.0
283.15387	3.7
285.17096	1.2
297.16873	1.0
301.16504	10.5
301.20135	3.8
323.18597	1.5
393.26434	1.6
411.27399	3.0
423.27396	26.0
424.27655	1.0
431.27878	2.4
437.29053	24.2
445.24084	1.2
445.29654	0.8
449.28958	1.1
451.30685	2.5
459.27475	0.9
461.28845	0.9
463.30554	100.0
464.31024	2.2
477.28436	3.0
495.29645	29.7
495.33389	13.6
513.30646	12.4
607.35187	1.5
639.36530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	9.3
65.03933	1.8
67.05506	26.4
69.03434	6.7
69.07049	7.7
71.04992	5.3
71.43439	1.3
73.02917	3.8
73.06548	1.0
79.05494	26.2
81.03416	66.8
81.07056	29.9
81.07512	2.6
83.04982	13.8
83.08617	23.3
85.02901	30.4
85.06549	2.3
91.03948	5.0
91.05475	37.2
93.07041	22.9
95.04961	27.0
95.08604	12.3
97.02882	8.9
97.06523	4.3
97.10149	6.7
99.04465	1.9
99.08107	2.7
105.07027	25.3
107.04955	8.2
107.08591	10.9
109.02935	1.7
109.06522	5.8
109.10165	4.6
111.04469	2.5
111.08080	13.1
113.06001	2.7
115.16193	1.2
117.07024	4.6
119.04932	2.0
119.08582	20.5
121.06528	2.9
121.10162	10.9
121.43056	1.6
123.08078	2.2
123.11689	2.1
125.09633	3.3
127.03928	3.6
129.05531	1.6
129.06995	12.6
131.08559	13.8
133.06480	4.4
133.10123	14.1
134.87402	1.2
135.11717	2.6
136.06129	1.5
137.05974	1.3
137.09650	2.9
142.07764	3.1
143.08521	2.1
144.41524	1.3
145.04965	3.3
145.06570	2.6
145.10155	3.0
147.08073	5.7
147.11667	19.0
149.09604	9.0
149.13255	1.3
157.10123	14.9
159.11719	2.6
161.09767	1.5
163.06012	2.2
163.11169	2.5
165.12749	3.9
171.11635	1.5
175.11171	18.1
185.13158	1.4
193.12228	50.3
211.13277	65.4
212.13594	1.8
229.14227	1.6
233.21228	1.2
249.14853	1.7
253.92455	1.4
267.15894	39.3
269.17615	2.2
273.15155	1.5
285.16959	70.5
323.18555	1.7
367.22656	3.6
385.23761	4.8
403.24670	1.6
423.27008	2.1
433.25876	3.3
441.26401	1.7
443.27872	2.7
459.27377	37.9
460.28195	1.9
461.29001	3.7
477.28467	50.0
478.28900	2.4
495.29526	100.0
496.29800	2.6
621.32697	3.0
639.33777	2.5
854.46161	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	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	17.3
65.03945	3.1
67.05505	100.0
68.81847	1.0
69.03427	5.5
69.07070	18.7
70.39056	1.1
70.50054	2.2
71.01347	2.3
71.04987	12.1
73.02917	9.2
79.05495	43.5
81.03423	20.0
81.07057	90.8
83.04982	9.6
83.08621	25.5
85.02906	29.1
85.06549	7.1
87.04474	4.5
91.03960	13.0
91.05479	30.4
93.07046	43.5
95.04977	9.8
95.08606	25.4
97.02900	14.0
97.06536	11.8
97.10172	13.2
99.04436	2.5
99.08113	1.6
101.02396	1.0
103.04018	2.2
105.04552	1.4
105.07037	15.8
107.04951	5.6
107.08592	33.3
109.02876	1.9
109.06506	4.8
109.10156	52.0
111.04459	2.6
111.08070	7.2
115.03989	1.2
116.04731	1.3
116.60888	0.9
117.07014	11.3
119.08571	10.7
121.06517	2.9
121.10150	12.9
123.08086	2.2
123.11689	6.0
125.09641	11.4
127.03904	5.3
129.05470	4.9
129.07048	2.8
131.08566	11.9
132.28551	1.0
133.10130	14.4
135.08086	1.9
135.11691	13.0
137.05968	1.2
137.09641	2.8
139.11192	1.5
145.04926	5.7
145.10083	5.1
147.08017	1.7
147.11694	4.2
149.09677	1.9
149.13248	15.4
151.11172	3.9
153.12756	3.1
155.10703	3.7
156.48125	1.0
157.10173	1.9
159.11697	10.0
163.06007	6.2
163.11209	8.0
165.12714	3.1
173.04367	1.4
173.09648	1.7
173.11743	12.9
175.11137	2.2
177.12694	4.9
178.27646	1.1
181.12283	2.5
185.11719	1.7
191.10712	3.4
193.12294	4.3
195.13799	11.8
199.13237	7.0
209.11714	5.1
211.13341	2.7
213.14938	1.9
227.12750	7.6
229.14340	47.9
233.15424	1.3
239.16464	3.0
241.14371	1.2
257.13757	5.2
265.14334	2.3
267.15909	11.3
269.17468	68.8
270.17950	1.5
283.15356	8.7
285.16943	1.4
295.19257	1.3
297.17188	1.5
301.16449	19.8
301.19931	1.5
320.59064	1.0
338.98581	1.1
339.23218	1.0
357.24133	1.1
365.04565	1.2
393.26175	3.3
411.27359	6.9
423.27396	47.9
424.27844	2.1
431.27859	2.9
437.28964	9.6
449.28955	3.0
459.27490	1.9
463.30670	10.6
477.28391	5.9
495.29153	98.9
496.29947	3.5
513.30566	27.1
772.84222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	18.2
65.03944	2.1
67.05504	90.0
67.99541	0.8
68.05836	1.1
69.03432	5.5
69.07067	16.2
70.08527	1.8
70.08868	1.1
71.01353	2.1
71.05003	6.7
71.08626	0.9
73.02920	7.3
73.89299	0.9
79.05494	37.9
81.03418	16.6
81.07056	72.5
83.04980	10.6
83.08616	20.0
85.02902	27.7
85.06535	5.7
87.04464	4.6
87.28580	0.8
91.03950	13.3
91.05479	31.2
93.07044	41.2
95.04971	9.8
95.08605	22.7
95.09206	1.0
96.04494	1.1
97.02892	14.1
97.06524	11.2
97.10170	15.8
99.04462	1.7
99.08086	2.2
103.03956	0.9
105.04549	1.0
105.07032	11.4
107.04964	5.8
107.08594	27.8
109.06531	3.8
109.10152	54.8
111.04437	2.3
111.08080	7.3
113.06030	1.4
115.03899	0.9
117.07022	8.8
119.08585	10.4
121.06488	3.0
121.10135	12.3
123.08066	2.8
123.11720	4.4
125.09628	12.2
127.03918	5.2
129.05499	5.6
129.06982	2.0
131.08583	10.3
133.10130	13.4
135.07993	2.4
135.11693	9.9
137.09621	2.6
139.11107	0.8
143.10683	2.7
145.04909	5.9
145.10126	4.7
147.08028	1.2
147.11682	6.3
149.09651	2.2
149.13251	12.3
151.11172	2.6
153.12758	3.5
155.08571	0.9
155.10663	4.7
157.10132	2.4
159.11722	7.8
163.06017	8.3
163.11192	6.4
165.12714	4.0
171.11633	1.2
173.04500	1.8
173.09528	1.4
173.11723	14.6
173.13055	0.8
175.11215	2.2
177.12695	4.8
181.12224	3.4
185.11823	1.2
189.11272	1.1
191.10638	3.1
193.12260	7.0
195.13792	13.5
199.13301	6.5
209.11691	7.6
211.13284	5.2
213.14880	1.7
218.48044	0.8
227.12766	9.7
229.14343	48.0
239.16394	4.6
249.14951	1.3
251.16295	1.3
257.13840	1.8
265.14276	1.2
267.15887	15.3
269.17459	55.5
283.15402	8.3
285.16983	2.4
295.15594	1.2
297.17230	1.4
301.16464	16.1
311.22192	0.8
313.16406	1.9
323.18509	1.9
357.24072	2.1
393.26288	2.5
411.27310	6.4
422.26761	0.9
423.27390	42.2
431.27768	3.2
449.28799	3.4
451.27118	1.1
452.17569	0.8
463.30493	2.5
477.28455	5.3
495.29495	100.0
496.29410	2.0
513.30554	31.1
657.34515	1.1
707.23346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	6.2
65.03931	1.5
67.05501	46.4
69.03431	1.7
69.06712	0.7
69.07068	10.7
71.01350	0.8
71.04987	12.0
71.08601	0.4
73.02919	2.5
79.05117	0.4
79.05489	17.7
81.03420	3.6
81.07051	65.3
82.07404	0.5
83.04985	4.7
83.08614	9.0
85.02896	7.8
85.06536	6.7
87.04465	1.0
91.03960	4.3
91.05473	15.0
93.07037	29.8
95.04964	3.9
95.08597	11.1
97.02901	4.0
97.06529	8.2
97.10162	2.7
98.23490	0.9
99.04482	0.9
99.08055	2.1
101.06001	0.5
105.04502	0.7
105.07018	6.3
107.04977	0.8
107.08590	19.1
109.06532	2.1
109.10149	9.2
111.04442	0.6
111.08089	4.6
111.11734	0.5
113.06033	0.6
113.09671	0.9
115.03887	0.4
117.07022	5.1
119.07874	0.4
119.08565	2.0
121.06512	1.1
121.10138	11.6
123.08092	0.8
123.11693	8.0
125.09628	2.1
127.03926	1.5
127.07536	0.7
128.67410	0.4
129.05513	0.9
129.07019	0.4
131.08551	5.8
133.10123	11.7
135.08061	1.0
135.11679	5.5
137.09650	0.5
139.07564	0.6
139.11176	1.0
145.04994	2.2
145.10133	1.0
147.11708	1.5
149.09628	1.0
149.13245	18.4
151.11169	4.1
157.10193	0.5
159.11682	8.4
159.82918	0.4
163.06039	2.5
163.11201	1.4
165.12744	0.4
167.14268	0.5
169.12224	0.9
173.11705	1.7
177.12711	3.7
183.13843	1.3
187.13246	2.6
191.10762	0.5
193.12299	0.8
195.13805	6.0
199.13312	1.5
201.14828	0.5
209.11792	0.9
211.13304	0.7
213.14842	1.3
225.14777	0.9
227.12791	1.2
229.14333	7.4
245.14197	0.4
251.16441	0.5
257.17535	0.6
267.15860	2.0
269.17447	18.1
283.15485	1.1
285.17059	0.7
291.24637	0.4
301.16507	2.0
301.20123	3.4
391.28653	0.5
393.26389	0.4
411.27435	0.8
423.27344	6.7
437.28976	27.1
438.29526	0.5
451.30435	3.4
459.27698	0.4
463.30511	100.0
464.30920	2.8
495.33740	26.5
496.33618	0.6
513.30640	2.5
581.33008	0.7
587.31458	0.4
607.34528	1.4
639.37531	3.2
862.73370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.9
65.03924	1.6
67.01862	0.9
67.05496	7.8
68.99782	0.6
69.03421	4.3
69.06711	0.5
69.07064	5.3
71.04987	1.1
73.02901	1.2
79.05488	7.8
81.03416	3.3
81.06618	0.6
81.07055	6.3
83.01298	0.4
83.04964	1.1
83.08619	2.2
85.02899	20.6
91.03941	0.8
91.05484	4.8
93.03403	1.1
93.07037	7.6
95.04957	1.6
95.08601	6.6
97.02894	5.2
97.06519	5.6
97.10188	0.7
99.04441	1.2
103.15249	0.4
105.07021	3.9
107.04950	2.3
107.08589	5.2
109.02877	2.4
109.06506	1.2
109.10179	2.8
109.79087	0.5
110.67338	0.4
111.04422	4.0
111.08069	1.6
115.05431	0.8
117.07027	1.9
119.04909	2.3
119.08575	3.6
121.02857	1.6
121.06536	1.0
121.10139	8.4
123.04414	6.8
123.08048	1.0
123.11657	0.6
125.02335	0.6
125.09650	0.8
127.03904	14.6
129.07016	0.9
131.04924	1.5
131.08560	4.7
133.02861	0.6
133.06474	4.0
133.10092	2.5
135.04396	0.8
135.08015	1.2
135.11691	2.5
137.02319	0.6
137.05978	1.9
137.09604	1.1
139.03886	56.2
143.04906	0.5
143.08594	0.9
145.04945	7.0
145.06471	1.5
145.09132	0.4
145.10100	2.1
147.04413	6.3
147.08049	1.7
147.11671	3.2
149.05974	4.0
149.09602	0.7
149.13245	1.4
151.03889	1.5
151.07497	1.1
153.05443	3.5
155.03378	30.6
157.06467	1.1
157.10100	1.0
159.04424	1.5
159.08060	0.5
159.11691	1.6
161.02336	0.7
161.05968	11.3
161.09612	1.3
161.13255	3.3
162.07591	0.5
163.03899	12.6
163.06024	2.5
163.07526	5.5
165.05461	19.1
167.07033	0.8
169.04936	1.3
169.10098	0.6
171.07999	0.7
173.05968	3.6
173.09627	0.9
173.13205	3.0
175.03877	1.1
175.07533	1.8
175.14781	0.4
177.05482	4.9
177.09190	0.8
177.12849	0.5
179.03444	9.1
179.07018	39.5
179.14223	0.7
181.04948	1.1
183.08121	0.4
183.11737	0.5
185.06013	0.8
185.09607	0.5
187.03787	0.5
187.07481	2.2
187.11249	0.9
189.05478	3.4
189.09091	1.8
191.03395	0.6
191.07031	4.8
191.14301	0.9
193.08574	2.5
195.06465	0.9
197.09550	0.5
199.07588	1.5
201.05394	0.8
201.09122	2.1
203.07018	4.0
203.10657	1.1
205.04951	3.3
205.08592	3.1
207.10040	0.9
213.05574	0.5
213.09122	1.4
215.07074	0.8
215.10631	1.9
217.05022	0.5
217.08536	3.1
219.10109	1.7
221.04404	4.6
225.16376	0.6
229.04950	1.6
229.08582	0.7
233.11699	2.2
235.14796	0.5
239.10780	0.5
245.04451	2.8
245.08148	0.9
247.06071	1.0
253.15771	0.7
257.11688	0.5
261.18436	0.6
263.05460	1.2
271.16925	3.7
281.15262	2.2
289.17941	6.0
299.16397	10.7
299.19550	0.9
317.17450	83.9
318.17807	2.2
323.16476	0.6
325.11246	1.2
335.18488	100.0
336.18839	1.8
341.17395	5.5
353.19571	11.1
355.19067	0.7
359.18509	8.0
365.17505	1.1
377.19629	1.1
378.13043	0.4
383.18466	5.3
401.19568	6.4
407.18573	2.2
413.86597	0.4
419.20538	8.7
425.19534	4.8
439.23157	1.0
443.20624	7.9
461.21494	4.9
479.22705	1.7
592.78571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.0
65.03960	2.6
67.05502	100.0
68.05836	4.3
69.03427	4.0
69.07064	17.8
71.01360	2.7
71.04992	10.9
73.02908	3.2
79.05491	42.9
79.05948	3.3
81.03418	77.5
81.06568	3.3
81.07053	64.5
82.07404	6.0
83.04973	9.9
83.08618	28.5
85.02896	15.8
85.06537	5.3
87.04484	4.4
91.03974	3.2
91.05477	33.2
93.07041	34.3
94.07379	4.9
95.04964	27.0
95.08598	14.0
96.08934	2.2
97.02893	11.5
97.06561	9.7
97.10167	16.2
99.04385	2.4
99.08098	7.9
103.05463	2.2
105.04514	2.1
105.07033	18.8
107.04955	12.2
107.08598	25.1
109.06512	9.3
109.10152	61.4
110.10506	2.1
111.04436	4.4
111.08098	9.2
117.07046	7.3
119.08576	16.1
120.89308	1.8
121.06541	6.3
121.10137	14.1
122.10505	2.9
123.08073	4.6
123.11680	3.9
125.09610	19.0
127.03963	2.2
129.05519	3.3
129.07033	7.0
131.08563	13.0
133.06520	4.3
133.10182	9.6
135.08061	3.7
135.11722	7.8
137.09642	3.9
145.10149	6.5
147.04424	2.1
147.08075	4.5
147.11684	8.7
149.09641	6.1
149.13232	5.5
150.13657	2.0
152.87831	1.7
153.12720	4.3
155.10669	4.8
157.10155	11.9
159.11693	4.9
163.11195	9.9
171.11839	2.4
173.09486	3.0
173.11720	16.1
175.11209	9.0
181.12193	2.6
189.11304	2.4
191.10756	3.5
193.12253	28.7
195.13818	4.2
199.13327	5.2
209.11731	8.2
211.13268	10.1
217.14352	2.3
219.13872	2.8
227.12762	14.6
229.14349	38.5
230.14641	3.3
235.13475	2.9
247.13448	2.3
249.14914	5.6
259.13333	2.2
267.15887	60.3
268.16345	2.3
269.17480	9.1
270.17877	4.6
271.17899	3.0
283.15271	12.2
293.17456	2.5
298.01154	2.1
301.16446	8.4
303.28696	2.0
355.22775	2.2
367.22681	3.7
373.23837	2.7
383.22260	5.5
385.23663	3.5
391.24902	2.8
399.23718	5.2
401.23380	6.7
403.24506	2.7
417.25018	11.3
421.25812	22.8
423.27524	5.0
424.27573	2.8
425.28281	4.3
437.29266	2.5
438.28949	2.7
439.29663	3.6
458.26541	3.9
459.26974	3.0
463.30490	12.1
464.30875	14.2
465.31537	14.2
475.26697	10.5
476.27838	8.1
477.28577	3.4
483.49463	2.3
493.27841	11.3
495.29041	2.8
496.29208	3.4
497.30121	8.0
511.29300	2.7
515.31006	3.4
609.36371	56.3
610.36298	3.1
641.37964	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44323	1.2
61.02913	2.4
65.03929	5.4
67.05502	74.1
68.05819	1.4
69.03426	10.4
69.07069	39.9
71.01344	2.1
71.04996	7.9
73.02898	2.1
77.03921	1.7
79.05491	67.1
80.05829	1.4
81.03426	13.8
81.07055	100.0
82.07406	1.2
83.04976	17.3
83.08620	18.2
85.02902	6.3
85.06538	5.0
87.04473	1.9
91.03965	1.7
91.05482	54.8
93.07042	70.7
95.04976	18.8
95.08601	40.0
97.02882	6.9
97.06528	20.4
97.10167	10.2
99.04444	2.9
99.08074	4.2
103.05481	2.0
105.04489	2.8
105.07028	44.7
107.04966	11.9
107.08591	46.2
109.02880	2.2
109.06524	8.1
109.10155	12.9
111.04450	2.4
111.08078	8.2
113.09676	1.7
115.05459	2.4
117.07018	21.9
119.08578	35.6
121.06481	7.7
121.10139	19.5
123.08069	5.5
123.11709	7.3
125.09627	8.8
127.03914	4.0
128.06224	2.3
129.05478	1.9
129.06978	7.7
131.08566	29.1
133.06473	2.4
133.10135	28.7
135.08086	5.8
135.11684	20.0
137.09608	3.3
139.11191	2.2
141.06953	2.7
142.07776	2.0
143.08553	6.5
145.06490	2.2
145.10132	21.0
147.08064	4.5
147.11690	16.8
149.09628	17.9
149.13245	16.1
151.11201	4.5
153.09070	1.7
154.07820	1.6
155.08545	4.7
157.10133	7.0
159.07983	2.6
159.11690	17.6
161.09625	2.8
161.13248	6.1
163.11200	10.7
165.12727	1.6
169.10048	5.8
171.11719	4.8
173.04506	4.1
173.09578	1.9
173.13269	8.2
177.12740	5.6
179.14273	3.6
181.12209	1.3
183.11671	5.1
185.13257	3.8
187.11171	2.8
187.14830	3.0
189.11197	3.8
189.12769	1.9
195.11917	2.1
195.13806	8.7
197.13219	3.8
205.12215	1.3
211.14870	1.7
213.14735	1.4
215.14493	1.4
227.12750	10.8
228.13202	1.4
229.14330	1.8
229.19518	3.2
233.15274	1.6
239.17990	4.2
245.13860	1.5
245.18971	1.3
247.20592	2.9
251.16368	2.0
253.14087	2.5
255.15892	11.4
257.18976	13.0
267.15948	3.9
269.17444	51.3
270.17871	2.0
273.18445	2.5
275.20078	40.2
291.19547	4.0
292.19873	4.1
293.21054	4.8
313.21487	2.1
321.24408	1.4
331.22672	4.2
349.23727	38.4
350.24094	1.5
367.24704	8.7
413.21759	1.6
431.28091	2.7
433.31259	1.8
435.27252	2.2
445.29254	3.1
447.30838	1.5
449.28976	26.4
451.31876	1.4
463.30563	38.6
464.31015	1.5
469.33041	3.0
515.36816	1.9
519.33313	1.3
525.35809	5.8
529.35181	8.1
529.91577	1.3
543.36829	40.5
547.36011	2.9
561.37878	8.4
607.34735	2.8
623.42383	6.1
641.43066	5.4
687.40875	1.9
856.45062	8.5
857.46521	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	6.5
67.05505	100.0
69.03442	14.6
69.07070	47.9
70.06603	2.5
71.01373	2.5
71.04995	9.7
73.02954	2.5
75.42134	2.0
79.05492	92.3
81.03407	16.7
81.07057	93.0
83.04982	17.1
83.08617	31.9
83.22836	2.3
85.02911	9.7
85.06542	9.2
86.46206	2.3
87.04474	10.7
91.05482	70.1
93.06448	4.2
93.07042	74.4
95.04967	22.3
95.08607	46.0
97.02898	3.6
97.06537	20.0
97.10171	60.7
99.04459	3.7
103.05505	2.8
105.04530	4.9
105.07036	58.7
107.04966	18.2
107.08594	92.8
109.02869	5.0
109.06515	7.8
109.10159	40.2
109.10880	2.9
109.72215	2.1
111.08078	11.4
113.09642	4.2
115.05470	4.3
117.07030	27.3
118.06492	2.5
119.08576	42.4
121.06535	6.6
121.10151	20.3
123.08083	5.4
123.11710	6.9
125.09635	53.4
127.03918	6.4
129.07021	8.3
131.08553	35.1
131.09457	2.9
133.10115	39.0
135.08038	12.6
135.11694	18.2
137.09650	6.7
140.28818	2.1
141.07027	3.6
143.08588	11.1
143.10577	3.0
145.10130	34.1
147.08020	3.8
147.11684	17.4
149.09644	22.6
149.13269	10.0
153.09109	3.5
155.08525	7.3
155.10675	3.5
157.10104	10.9
159.11681	21.1
161.09567	2.6
161.13263	7.5
163.11198	15.6
163.14778	2.6
169.10118	6.5
171.10269	5.3
171.11734	9.8
173.04535	2.7
173.09622	2.6
173.11745	9.8
173.13275	10.8
175.11182	3.6
177.12733	5.5
179.14299	5.7
181.10162	3.1
181.12227	4.3
183.11729	6.1
185.13271	6.6
187.11151	3.5
187.14806	3.5
189.11223	25.7
193.12154	3.4
195.13824	5.0
197.13271	5.1
199.13216	3.2
199.14842	2.8
203.30157	2.3
211.14833	2.8
217.15886	2.8
227.12770	88.2
229.14276	15.3
229.19539	5.5
239.18008	5.6
245.13916	9.3
247.20602	3.0
255.15912	10.7
257.18988	22.3
267.16196	2.9
269.17447	27.2
275.20041	88.3
276.20618	2.8
291.19751	3.0
293.21118	5.4
299.20139	2.7
301.21527	3.7
313.21872	3.5
331.22693	10.5
349.23712	72.8
350.23987	2.4
367.24707	4.1
383.24161	6.8
389.17813	3.8
397.21649	3.0
439.26740	7.8
451.32260	2.9
460.05334	2.7
501.31781	2.6
503.33591	3.6
519.33246	19.1
525.35522	7.3
529.35052	20.0
543.36798	76.2
544.36798	3.3
547.35809	3.0
555.34741	3.6
561.37543	4.3
583.31213	3.3
605.41400	3.0
623.43066	39.3
641.43964	15.7
663.37354	2.9
687.41345	2.9
733.80505	2.8
857.45367	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.0
65.03951	4.9
67.05499	97.1
69.03423	13.1
69.07064	56.1
69.07447	2.8
70.62066	1.7
71.04983	8.3
74.05096	1.8
79.05487	84.0
81.03407	19.2
81.07053	100.0
83.04982	15.7
83.08606	30.3
83.09023	2.4
85.02900	8.6
85.06527	8.4
91.05475	79.6
93.07039	79.9
95.04971	24.2
95.08600	49.1
97.02891	5.9
97.06527	21.4
97.10159	21.7
99.04478	3.3
99.08112	4.5
103.05486	3.1
105.04540	4.8
105.07021	63.9
107.04953	18.1
107.08586	62.9
109.02885	2.8
109.06512	11.5
109.10145	25.0
111.08089	5.7
112.07610	2.6
113.06027	4.9
115.05486	3.3
117.07018	27.9
119.08568	40.2
121.06512	5.8
121.10128	21.5
123.08098	5.7
123.11729	7.1
125.09637	17.4
127.03940	4.4
129.06998	14.0
130.07780	3.3
131.08565	34.5
133.06522	4.3
133.10118	39.9
135.08022	10.3
135.11687	22.2
137.09644	5.9
141.06990	3.7
142.07768	2.6
143.08580	8.8
143.51625	1.8
145.06564	2.2
145.10117	36.1
147.08087	2.4
147.11670	19.1
149.09610	22.4
149.13251	15.0
151.11198	6.4
153.09163	2.9
155.08568	7.6
157.10132	8.7
159.11674	20.3
161.09641	4.2
161.13271	8.3
163.11163	18.8
165.12830	2.8
167.08606	2.7
169.10158	7.9
171.10240	3.1
171.11737	10.8
173.04456	3.9
173.09712	2.8
173.11916	2.8
173.13312	10.6
175.11220	3.4
175.14871	2.2
177.12816	7.1
179.14345	6.6
181.10222	3.1
181.12288	2.4
183.11760	6.2
185.13348	2.5
187.11275	2.6
187.14885	2.4
189.11232	11.8
189.12732	2.4
195.13849	4.6
197.13283	4.3
199.14760	3.5
207.11749	2.0
215.17952	2.1
219.13974	2.1
227.12743	28.7
229.14366	6.6
229.19518	2.7
239.17969	7.7
245.13889	3.5
247.20551	4.9
253.18079	2.5
255.15768	12.7
257.19003	18.8
267.15887	3.9
269.17432	35.1
273.18726	2.4
275.20065	63.5
292.02991	2.0
293.21078	7.3
331.22778	2.8
333.24496	1.9
339.17877	1.8
349.23706	66.5
367.24857	5.7
389.18268	1.9
395.24130	2.4
413.21445	2.5
423.27625	3.7
431.28043	2.8
433.30994	2.6
435.27411	2.4
439.26874	2.2
445.29379	2.3
449.28925	10.1
451.32098	2.1
463.30386	10.4
503.33847	3.6
519.33093	1.9
525.35675	6.7
527.37439	2.5
529.35321	14.7
543.36749	51.2
544.36871	2.3
549.26617	3.4
559.36359	2.5
561.37512	5.9
623.42993	19.3
641.43481	7.2
705.41449	2.1
856.44818	4.9
857.46399	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	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.1
65.03954	6.2
65.49387	2.1
66.76604	2.0
67.05504	100.0
69.03426	12.5
69.07073	39.3
71.01404	2.2
71.04998	11.1
73.02918	5.6
75.19651	2.2
79.05491	70.2
81.03412	16.0
81.07056	95.3
83.04977	17.1
83.08625	22.3
85.02905	8.3
85.06544	5.6
87.04466	41.7
89.06033	10.3
91.05480	70.3
91.06051	3.7
93.07047	72.3
93.55759	2.1
95.04974	20.6
95.08610	48.7
97.02898	8.3
97.06537	22.6
97.10178	12.2
99.04487	5.3
99.08117	3.8
105.04548	3.4
105.07037	54.3
107.04953	13.2
107.08597	48.7
109.02904	3.1
109.06525	11.3
109.10152	32.1
111.08096	7.9
113.06013	3.7
115.05501	3.4
117.07011	28.4
119.04913	3.1
119.08569	35.4
121.06516	8.7
121.10131	20.3
123.08080	7.5
123.11715	4.7
125.09637	11.5
127.03869	3.8
128.06203	3.0
129.05463	2.6
129.07013	11.8
129.59502	3.2
131.07048	4.9
131.08563	27.9
133.10126	33.3
135.08069	8.2
135.11714	20.1
137.09622	7.8
139.07532	3.4
141.07016	4.6
143.08572	10.4
143.10422	2.5
145.06490	2.6
145.10115	25.9
147.08061	6.4
147.11649	17.1
149.09633	15.1
149.13251	17.0
151.11157	5.2
155.08534	8.0
155.10664	3.3
157.08801	2.4
157.10089	11.8
159.11685	21.6
161.09669	3.5
161.13297	7.0
163.11162	11.0
165.09102	2.6
165.12755	2.9
169.10132	4.8
171.11740	10.3
173.04510	3.6
173.11752	7.9
173.13300	7.5
175.09734	5.3
175.11197	5.2
177.12767	6.4
183.11678	7.9
185.13240	5.0
187.14842	3.9
195.13823	4.2
197.13199	4.3
199.13269	3.4
199.14917	3.5
227.12759	9.0
229.14330	11.5
229.19646	2.6
232.68582	2.7
233.18954	3.9
239.17967	5.0
247.20453	2.5
255.15889	17.8
257.18994	15.5
266.50449	2.9
267.15826	3.7
269.17465	35.8
273.18381	2.7
275.20059	48.4
277.21585	5.3
279.15964	2.3
291.19717	5.7
293.21033	6.0
321.24139	5.1
331.22656	4.2
333.24277	2.9
349.23718	41.2
360.71805	2.6
367.24628	8.7
435.27460	2.9
449.29138	12.8
463.30661	22.9
485.32748	2.9
491.34811	2.4
509.74765	2.3
525.35815	5.6
529.35681	10.7
543.36725	33.2
555.35071	3.5
556.71112	2.7
561.37671	6.5
623.42944	14.5
641.43787	9.6
857.45837	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	857.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.4
65.03935	0.4
67.05505	5.2
68.05859	0.3
69.03431	2.7
69.07061	2.9
71.05003	0.8
72.44202	0.3
73.02907	3.1
79.05492	4.5
81.03421	2.0
81.07059	6.0
82.07398	0.5
83.04987	1.1
83.08644	1.1
85.02899	3.1
85.06541	0.6
87.04462	0.5
91.03961	1.4
91.05479	4.5
92.05830	0.3
93.07043	4.4
95.04946	1.5
95.08624	2.2
97.02889	3.1
97.06556	0.7
97.10146	1.5
99.04459	0.6
101.02371	1.4
105.04514	0.3
105.07019	3.7
107.04983	0.9
107.08585	2.8
109.02888	0.6
109.06547	0.9
109.10136	2.8
117.07066	0.8
119.08604	1.3
121.06524	0.5
121.10171	0.8
122.64477	0.3
123.11724	0.5
125.09681	0.9
127.03931	0.5
129.07021	0.6
131.08604	0.5
133.10112	3.9
135.08051	0.7
135.11652	0.5
145.10181	0.6
147.08061	0.5
147.11705	0.6
149.09625	0.4
151.11140	1.5
161.09610	0.4
163.11247	0.4
185.04242	0.7
189.11276	0.6
203.05313	0.5
223.13382	1.3
229.32143	0.3
233.16298	0.3
243.08389	4.3
253.14499	0.9
273.18634	0.6
291.19540	1.6
301.09143	0.4
301.18021	0.5
313.09018	0.5
331.18784	3.2
369.15283	0.3
371.17197	0.3
371.22336	0.4
387.21359	1.5
451.19672	0.9
467.18985	0.5
549.26697	11.1
550.27570	0.3
559.36536	0.6
560.36694	0.6
621.28998	0.5
642.43903	0.4
759.39667	0.3
857.46472	100.0
858.46924	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	857.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.8
65.00337	0.5
67.05511	4.2
69.03442	1.9
69.07071	2.1
71.01338	0.5
71.05019	0.5
73.02920	2.9
79.05495	3.2
81.03410	2.3
81.07069	5.0
83.04966	1.0
83.08636	1.1
85.02912	2.8
87.40042	0.4
91.03970	1.6
91.05485	4.8
93.07053	3.9
95.04967	1.5
95.08610	3.1
97.02893	2.9
97.06556	1.1
97.10149	0.6
99.04462	0.6
101.02411	0.8
105.07025	4.2
107.05001	1.3
107.08587	2.5
109.06558	1.4
109.10136	3.0
115.03971	0.6
117.07046	0.6
119.08581	2.1
119.32162	0.4
121.06561	0.7
121.10188	1.1
123.08094	0.7
127.03946	1.3
129.07021	0.6
131.08607	0.9
133.10135	5.2
135.08116	0.6
135.11700	0.6
145.10208	0.8
149.09676	0.7
151.11212	2.5
161.09715	1.0
170.90665	0.5
175.11258	0.8
179.14333	0.8
193.12317	1.2
195.13855	0.5
200.11230	0.5
238.59778	0.4
243.08478	3.5
275.02722	0.5
301.08865	0.5
313.17709	0.6
327.10693	0.5
331.18848	3.4
369.15549	0.6
369.20068	0.5
387.21710	1.1
451.19559	1.4
531.25714	1.4
549.26721	8.0
603.62384	0.5
621.28906	0.6
661.27667	0.6
663.34149	0.5
759.39539	1.7
839.45490	6.3
857.46362	100.0
858.46576	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	857.4657
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02927	3.3
65.03939	0.4
67.05500	4.4
69.03429	3.3
69.07060	2.6
69.54852	1.1
71.01360	0.5
71.04977	0.3
73.02919	2.5
79.05490	4.1
81.03402	2.1
81.07047	4.5
82.07399	0.6
83.04975	1.2
83.08633	1.6
85.02904	3.7
86.38812	0.3
87.04461	0.4
91.03973	1.4
91.05479	3.4
93.07041	2.5
95.04972	1.6
95.08598	2.4
97.02890	3.2
97.06541	0.6
97.10182	1.2
99.04485	0.5
101.02381	1.4
105.07018	2.4
107.04980	1.2
107.08583	2.3
109.02898	0.7
109.06532	1.0
109.10173	1.9
111.08116	0.3
117.07047	0.8
119.08579	1.4
121.06522	0.8
121.10136	0.4
123.08080	0.6
123.11716	0.3
125.09638	1.1
127.03938	0.9
129.06995	0.5
131.08591	1.2
131.40755	0.3
133.10123	2.2
135.08096	0.6
137.09550	0.5
143.08624	0.4
145.10162	0.7
147.11699	0.7
149.09665	0.6
151.11212	1.0
159.11761	0.5
161.13380	0.3
175.11252	0.4
182.09950	0.3
185.04298	0.4
193.12277	0.7
223.13396	1.0
226.80409	0.3
243.08414	2.6
253.14532	1.0
254.14864	0.4
273.18628	0.3
275.20068	0.4
291.19653	0.8
301.09076	0.9
313.17706	0.7
315.10776	0.5
331.18869	2.7
331.67200	0.3
387.21689	0.7
451.19473	1.3
531.25665	1.7
549.26636	7.3
559.28552	0.3
621.29028	1.0
642.44366	0.4
708.78900	0.3
719.31427	0.5
759.39526	1.6
839.45410	6.9
840.45184	0.5
857.46484	100.0
858.46851	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	857.4655
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02926	2.6
65.03934	0.4
67.05505	5.6
68.05852	0.2
69.03429	2.9
69.07068	4.7
71.01359	0.5
71.05003	0.5
71.08633	0.4
71.96602	0.2
73.02917	2.1
79.05492	4.4
80.05836	0.2
81.03421	2.4
81.07053	4.8
81.07490	0.3
82.07384	0.4
83.04990	0.8
83.08628	1.7
85.02904	3.2
87.04472	0.3
91.03957	1.2
91.05479	3.7
92.05821	0.2
93.07049	3.2
94.07392	0.3
95.04961	1.5
95.08603	2.3
96.05247	0.2
97.02885	3.3
97.06548	0.7
97.10169	2.4
98.23459	0.7
98.88002	0.2
99.04472	0.6
99.08089	0.3
101.02394	1.3
103.03924	0.2
105.04569	0.3
105.07030	2.8
106.07417	0.3
107.04973	0.8
107.08596	2.7
108.08900	0.3
109.02903	0.7
109.06542	0.6
109.10149	1.8
110.10526	0.3
111.04470	0.2
111.08112	0.5
117.07036	1.1
119.08581	1.4
120.08923	0.3
121.06537	0.6
121.10171	0.8
123.08065	0.3
125.09615	1.7
127.03961	0.7
129.07007	0.5
131.08568	1.2
133.06488	0.3
133.10123	1.6
135.08049	0.9
135.11737	0.5
137.09657	0.3
143.08559	0.4
145.10167	0.7
147.08092	0.5
147.11690	0.5
149.09674	0.4
149.13264	0.4
151.11195	1.0
152.11613	0.2
157.10106	0.4
159.11771	0.5
161.09671	0.5
163.11195	0.4
165.12790	0.3
185.04230	0.6
189.11282	0.5
195.13890	0.2
201.03728	0.3
203.05370	0.5
205.12274	0.4
223.13266	2.4
227.12790	0.2
241.06888	0.3
243.08371	3.8
253.14265	0.9
254.14809	0.3
259.07956	0.2
269.17563	0.8
273.18576	0.6
274.18768	0.3
276.20392	0.2
277.21866	0.2
291.19534	4.1
292.20035	0.7
293.21091	0.4
294.21768	0.2
301.09085	0.7
301.17752	0.3
316.93933	0.2
327.10379	0.3
329.86160	0.2
331.18808	2.0
335.25864	0.3
350.35764	0.2
351.25241	0.3
352.25839	0.2
365.23328	1.2
366.23782	0.5
369.15640	0.2
373.11011	0.3
383.17166	0.3
387.21396	1.0
441.63214	0.2
451.19241	0.3
539.21228	0.2
539.72400	0.2
549.26697	9.9
559.36731	0.8
560.36676	1.8
562.37811	0.3
572.20624	0.2
621.29071	0.8
641.43939	0.2
642.44550	0.6
857.46497	100.0
858.46869	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	858.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38857	0.5
61.02930	7.7
61.33760	0.5
62.32173	0.5
67.05493	1.4
68.99786	4.9
69.03427	33.6
69.07076	2.5
71.01366	0.8
71.04989	4.9
71.08629	2.4
71.45750	0.5
73.02914	7.2
76.53496	0.7
79.05500	1.8
81.03413	26.0
81.06600	0.5
81.07034	2.5
83.01331	1.3
83.04974	1.2
83.08613	2.0
85.02901	95.4
85.10162	0.7
86.03193	0.6
87.00826	32.5
87.04488	1.2
91.03944	1.7
91.05512	0.5
93.03381	1.5
93.07038	0.6
95.04974	1.4
97.02891	32.7
97.06516	0.6
99.04456	11.7
101.02324	0.6
103.03935	9.5
105.01862	30.4
107.04942	3.8
107.08625	0.5
109.02873	26.4
111.04437	2.4
115.03935	2.8
117.01869	2.9
121.02844	2.2
121.06503	1.1
121.10087	0.6
123.04407	1.2
125.02378	0.8
125.05981	1.4
127.03913	46.5
128.04262	0.8
129.01823	4.4
131.04932	0.6
135.04417	6.3
137.05951	1.0
139.03896	28.7
142.86740	0.5
145.02869	1.2
145.04959	19.2
147.02882	3.7
147.04431	1.1
149.02335	2.2
149.05952	1.7
151.03891	2.4
153.05467	11.0
155.03398	1.8
159.02884	12.7
159.04184	0.9
161.05983	1.2
162.07568	0.6
163.03897	72.6
164.04257	1.0
165.05443	1.2
167.03378	2.8
169.04958	2.1
171.02943	3.1
171.04135	0.6
173.05943	1.3
175.03920	1.1
175.07518	1.4
177.04066	0.6
177.05470	7.8
179.03423	1.3
180.08679	1.2
181.04948	18.5
187.03802	0.5
187.07634	0.7
189.03929	21.1
189.05389	1.2
189.09004	0.7
191.03387	0.7
191.07014	1.1
193.04948	2.9
195.06528	1.0
201.03879	0.6
201.05498	1.7
201.09045	0.7
203.03441	0.5
205.04956	13.1
209.04355	0.6
213.03856	2.9
218.05882	0.8
219.06540	1.4
229.04898	3.1
231.04977	12.8
231.07039	1.0
235.06012	1.2
247.06047	6.8
249.06032	5.0
251.16376	1.1
253.07222	0.8
257.15393	0.7
265.07089	1.0
269.17474	3.7
271.08093	0.8
275.16388	8.9
279.15897	4.8
281.17535	2.0
289.17905	1.2
293.17450	100.0
294.17755	2.2
303.19537	1.4
305.17441	2.0
309.16788	0.8
311.18542	4.4
315.07080	1.5
317.17538	2.5
319.18991	1.8
319.22507	1.0
331.19070	4.1
334.17603	0.6
335.18509	32.7
336.18799	1.3
341.17346	1.3
347.18457	0.8
359.18521	20.8
377.19553	27.7
393.10336	0.8
395.20682	3.3
445.18539	1.6
463.19580	6.6
468.21069	0.7
471.21542	0.7
481.20502	7.4
499.14664	1.0
499.21701	14.3
570.59015	0.5
858.44263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.1
65.03931	0.9
67.01860	0.4
67.05495	0.5
68.99789	3.5
69.03428	36.0
69.07066	1.9
69.46236	1.9
69.61330	0.4
71.01358	0.6
71.04994	4.0
71.08640	1.4
73.02913	6.8
73.88672	0.4
79.05497	1.5
79.56540	0.4
81.03413	23.9
81.07054	0.8
83.01337	1.2
83.04990	0.6
83.08617	1.3
85.02901	100.0
85.10198	0.9
86.03233	0.8
87.00826	34.7
87.04469	1.4
91.03973	2.5
91.05473	0.4
93.03400	0.9
95.04957	0.5
97.02889	36.8
98.23467	0.7
99.04449	12.9
101.02382	0.8
103.03938	7.6
105.01861	41.7
107.04944	2.6
108.04472	0.6
109.02873	30.3
111.04453	2.6
113.02357	0.5
115.03929	2.7
117.01835	3.8
121.02895	2.0
121.06534	0.4
123.04420	1.3
125.02393	0.7
125.06000	0.7
126.05524	0.6
127.03910	58.6
129.01828	4.3
131.04889	0.8
135.04414	4.8
137.05978	0.8
139.03894	35.4
144.21921	0.5
145.04950	25.1
147.02892	3.0
147.04355	1.1
149.02342	1.4
149.05940	1.5
151.03903	1.4
153.05469	6.4
155.03378	1.4
159.02882	14.0
161.06131	0.5
162.07626	0.6
163.03897	46.7
163.06082	1.3
164.04324	0.7
165.05473	0.7
167.03413	2.3
167.06990	0.4
169.04965	1.5
171.02879	2.4
173.06026	0.5
175.03816	0.7
175.07520	1.1
177.04051	0.5
177.05478	6.1
179.03419	0.9
180.08678	1.3
181.04958	14.7
187.07559	1.1
189.03938	18.0
189.05386	0.8
191.03397	0.6
191.07031	1.2
193.04900	2.2
195.06618	0.4
201.03857	0.8
201.05434	0.9
205.04956	10.1
209.04419	0.5
211.06000	0.6
213.03935	5.7
219.04790	0.5
219.06641	0.8
229.04890	2.0
231.04982	19.8
233.04451	0.4
235.06084	0.5
247.05978	4.5
248.07603	0.6
249.06047	8.1
251.16379	2.1
253.07028	1.2
263.16452	0.5
265.07022	0.7
265.17947	0.6
269.17453	6.7
271.08130	1.5
275.16394	6.4
279.15955	3.1
281.17438	1.0
289.17911	1.3
290.72974	0.4
293.17450	79.2
294.17615	0.9
303.19458	0.8
305.17477	1.6
307.19009	0.4
309.16861	0.8
311.18472	4.9
313.18103	0.6
315.07040	1.5
317.17325	2.2
319.18970	0.9
331.18994	3.4
335.18512	30.7
341.17447	0.9
347.18674	0.8
350.02249	0.4
359.14017	0.9
359.18472	16.3
360.18872	0.6
375.09335	0.6
377.19550	21.6
393.10202	1.0
395.20578	4.5
437.21027	0.5
445.18344	1.2
463.19571	4.4
481.20691	5.7
499.14728	0.6
499.21765	10.0
751.23883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.5
61.68724	0.4
65.03928	1.2
67.05502	6.7
69.03429	4.5
69.07072	4.1
69.15556	1.2
69.15964	0.7
71.04987	1.0
71.08621	2.1
73.02907	0.6
79.05486	2.9
81.03415	2.4
81.07053	6.7
83.04966	0.5
83.08615	3.7
85.02904	17.2
85.10175	0.6
86.42313	0.4
91.03955	0.8
91.05473	2.0
93.03417	0.7
93.07055	3.3
95.04966	1.4
95.08598	8.5
97.02892	5.0
97.06531	0.6
97.10168	2.5
99.04415	0.6
103.03976	0.4
105.07011	1.7
107.04953	1.7
107.08591	1.6
109.02882	2.2
109.06467	0.5
109.10147	3.2
111.04435	3.3
111.11723	0.5
117.07008	0.6
119.04948	1.5
119.08589	1.8
121.02872	2.0
121.06505	1.4
121.10133	2.3
123.04427	24.2
123.08043	0.9
123.11712	0.9
127.03920	4.8
131.04951	0.6
131.08574	1.0
133.02856	0.7
133.06497	2.9
133.10120	1.4
135.04416	1.2
135.08017	0.6
135.11685	1.2
137.02357	0.5
137.05989	6.2
137.09605	0.9
139.03896	69.5
140.04318	0.5
143.04865	0.4
143.08534	0.4
145.02934	0.4
145.04961	6.6
145.06174	0.7
145.06543	0.6
145.10097	0.7
147.04399	6.9
147.08031	2.6
147.11696	0.7
149.05969	3.7
149.13263	1.0
151.03888	5.5
151.07541	1.4
153.05461	3.7
155.03375	1.4
157.06439	0.6
159.04323	0.4
159.08043	0.4
161.05984	4.8
161.09630	1.5
161.13174	0.5
163.03909	14.9
163.06039	2.7
163.07545	4.5
165.01823	1.2
165.05476	13.3
165.06606	0.3
165.09158	0.9
167.03407	0.5
167.07021	0.6
171.04401	0.4
171.08029	0.6
173.05946	0.7
173.09628	0.9
175.07544	3.0
175.14690	0.4
177.05496	2.8
177.09140	2.3
179.03381	2.6
179.07019	7.7
180.08647	0.6
186.06412	0.4
187.07555	0.8
189.05469	1.8
189.09071	1.3
191.07040	1.0
191.10706	0.8
193.04901	0.6
193.08658	2.1
199.11255	0.5
201.05502	0.5
201.09184	0.8
203.03305	0.5
203.07033	1.5
203.10625	0.9
205.04956	4.1
205.08705	0.5
207.10104	0.7
213.08952	0.4
217.04904	0.5
217.12373	0.5
217.19449	0.4
219.10226	0.5
221.04466	1.1
221.11848	0.5
227.17900	0.7
229.04941	2.1
231.10115	0.4
235.20634	0.5
245.04451	0.9
245.08249	0.6
245.19052	3.3
255.17390	1.2
263.05627	0.5
263.20081	4.8
273.18463	10.0
283.17023	0.4
291.19537	20.8
301.17905	2.4
311.20050	0.4
315.19772	0.7
319.19022	40.5
320.19489	0.8
325.11282	0.9
329.21149	0.5
336.63409	0.3
337.20071	100.0
338.20377	2.4
339.19632	0.6
343.19034	1.0
351.22406	0.4
355.21130	14.6
357.20560	1.0
361.20013	8.3
375.21625	0.4
379.21164	2.7
381.20602	0.4
381.78616	0.4
385.20056	2.3
399.21564	1.0
403.21152	6.7
409.20248	1.7
421.22171	7.4
427.21179	6.2
439.23120	0.7
440.23483	0.7
445.22177	7.2
463.23215	4.8
464.53949	0.4
481.24252	1.4
596.71588	0.5
888.79529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.8
61.03216	0.6
65.39031	0.3
67.05505	4.2
69.03436	3.5
69.07070	0.8
70.49904	0.5
71.01361	0.5
71.04986	2.6
73.02916	3.9
77.98153	0.3
79.05505	1.9
81.03432	1.6
81.07063	4.6
83.05006	0.5
83.08637	0.8
83.78566	0.3
85.02908	6.4
85.06566	0.8
91.03955	4.7
91.05478	1.8
93.07054	2.5
95.04982	0.8
95.08650	1.2
97.02895	6.9
97.03500	0.5
97.06488	0.3
99.04480	0.7
101.02414	1.3
103.03990	0.6
105.07047	0.7
107.08610	1.3
109.02908	1.0
109.06552	0.4
109.10213	1.0
111.08086	0.6
115.03989	0.6
119.08607	0.3
121.10180	1.3
123.11738	0.9
127.03922	2.2
131.08643	0.6
133.10152	1.6
135.11726	0.5
145.05037	0.5
149.13277	2.3
151.11215	0.9
159.11787	0.7
177.12903	0.5
183.06654	0.4
185.04303	1.3
187.13295	0.5
189.73210	0.4
191.67181	0.3
195.13852	0.6
203.05258	0.8
235.13202	0.7
243.08444	2.0
243.16058	0.6
257.17715	0.4
267.15765	1.9
269.17560	0.6
285.08041	0.6
291.15918	0.8
323.18307	0.6
347.09497	3.3
363.09311	0.4
365.10699	1.0
405.13718	6.4
413.17990	1.0
453.20944	9.6
485.23700	6.9
485.29773	0.2
504.76947	0.4
535.33240	0.4
575.23523	1.0
615.26184	7.8
647.28845	6.0
673.34698	0.4
697.37921	2.9
729.36737	1.5
755.39160	0.8
787.36877	3.8
859.42926	100.0
860.43323	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	859.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.6
65.03948	0.4
67.05504	6.7
68.05839	0.4
69.03427	2.9
69.07068	4.7
69.72800	0.4
69.73186	0.5
71.01367	0.3
71.05000	0.9
71.08646	0.5
73.02918	3.3
73.03297	0.3
77.03928	0.3
79.05495	5.7
79.05954	0.4
80.05814	0.3
81.03415	2.5
81.07056	7.9
82.07398	0.3
83.04977	1.2
83.08617	1.8
85.02900	3.8
85.06549	0.2
87.04475	0.3
91.03967	1.7
91.05478	4.0
92.05846	0.2
93.07039	4.9
93.07581	0.4
94.07368	0.5
95.04976	1.6
95.08600	3.3
96.05328	0.3
96.08963	0.3
97.02892	3.8
97.03477	0.3
97.06522	1.2
97.10176	1.8
99.04472	1.0
99.08108	0.6
101.02370	1.3
105.04560	0.3
105.07026	3.0
105.07631	0.3
107.04990	0.8
107.08592	3.5
107.09247	0.3
108.08926	0.3
109.02922	0.7
109.06534	0.6
109.10143	1.5
111.08098	0.7
117.06989	1.3
119.08577	2.4
120.08887	0.3
121.06544	0.8
121.10152	1.2
123.08113	0.5
123.11753	0.6
125.09604	1.3
127.03909	1.1
128.06296	0.3
129.05531	0.2
129.06982	0.3
131.08563	1.3
132.08980	0.2
133.06602	0.3
133.10150	1.4
135.08119	0.5
135.11693	1.1
137.09642	0.5
143.08629	0.3
145.10136	1.1
147.08081	0.3
147.11729	0.9
149.09660	0.6
149.13300	0.8
151.11229	0.7
152.11563	0.2
153.09106	0.2
159.11702	1.0
161.13318	0.5
163.11250	0.6
169.10300	0.2
171.11664	0.3
178.06241	0.2
185.04280	0.9
189.11276	0.4
195.13811	0.6
201.03911	0.4
203.05325	0.3
223.13368	0.8
227.12814	0.5
241.06900	0.3
243.08414	4.3
255.15948	0.4
264.35071	0.2
269.17407	1.5
270.17963	0.5
275.20078	0.5
276.20370	0.3
277.21658	0.3
291.16235	0.3
291.19693	0.9
298.03455	0.3
301.09061	0.8
303.19525	0.3
313.09109	0.3
327.10703	0.3
331.18777	1.7
333.20340	1.7
339.93750	0.2
341.11884	0.2
349.23917	0.4
351.25385	0.6
352.25842	0.3
357.15143	0.3
369.15149	0.5
387.21338	0.4
389.23242	0.7
439.19061	1.1
450.29767	0.3
453.21072	0.8
463.30719	0.7
464.30682	1.1
469.20383	0.3
472.25751	0.3
543.36951	0.4
544.37433	1.0
545.37628	0.2
546.39148	0.5
549.26691	5.2
550.27319	0.4
551.28235	6.1
552.29370	0.3
562.37927	0.3
591.16821	0.3
621.29053	0.3
623.30536	0.4
626.44928	0.3
761.41205	0.3
763.21820	0.2
841.46338	0.3
859.48065	100.0
860.48254	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	859.4812
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02929	3.1
65.03955	0.4
67.05504	4.3
69.03432	2.3
69.07066	2.6
69.66214	0.3
71.05004	0.8
73.02917	3.0
78.60693	0.2
79.05499	3.5
81.03416	1.9
81.07057	4.8
83.05004	0.9
83.08630	0.9
85.02910	3.3
85.06535	0.3
91.03960	1.8
91.05483	3.4
93.07045	3.4
95.04960	1.2
95.08617	2.1
97.02893	2.8
97.06556	0.8
97.10141	0.6
99.04465	0.6
101.02399	0.9
103.03960	0.3
105.07024	2.4
107.04955	0.3
107.08598	2.4
108.13194	0.3
109.02884	0.7
109.06535	0.6
109.10190	1.2
117.07053	0.7
119.08536	1.3
121.06510	0.3
121.10183	0.9
123.08077	0.5
125.02109	0.3
125.09660	0.9
127.03971	0.9
129.06947	0.3
131.08601	0.5
133.10133	1.7
135.07068	0.3
135.08107	0.4
135.11714	0.8
143.08580	0.3
145.10127	0.6
147.11699	0.6
149.13269	0.3
151.11244	0.4
159.11821	0.3
176.59277	0.2
185.04250	0.6
203.05356	0.6
223.13373	0.8
243.08360	4.6
269.17676	0.3
273.14706	0.3
282.14801	0.3
291.16379	0.3
291.19739	0.9
301.08929	0.3
313.08835	0.3
315.10751	0.3
327.62445	0.3
331.18835	1.9
333.20355	1.2
337.00449	0.3
341.21317	0.2
344.17529	0.3
353.23383	0.3
353.81561	0.2
387.21402	0.7
389.22873	0.5
439.19437	1.2
451.19543	0.3
453.21249	1.2
467.19250	0.4
469.20706	0.6
549.26660	6.4
549.34406	0.4
551.28345	6.0
623.30377	0.4
761.40961	0.5
859.48083	100.0
860.48352	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	859.4827
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02933	2.6
67.05505	3.9
69.03441	2.2
69.07076	1.8
69.84630	1.1
71.05000	0.4
73.02915	2.2
79.05504	2.7
80.14025	0.4
81.03428	1.2
81.07056	4.1
83.04980	0.7
83.08622	0.8
85.02911	3.1
85.06523	0.4
91.03973	1.6
91.05489	2.8
93.07042	2.9
95.04988	1.2
95.08617	2.1
97.02889	2.8
97.06555	0.7
97.10181	0.5
97.16963	0.3
99.04462	0.5
99.08067	0.4
101.02397	0.9
103.03983	0.5
105.07024	2.1
107.04976	0.8
107.08629	1.7
109.02856	0.6
109.06581	0.4
109.10170	1.0
117.07046	0.9
118.98094	0.3
119.08633	1.2
121.06583	0.4
121.10201	0.8
121.57146	0.3
123.08055	0.4
127.03925	0.9
131.08603	0.7
133.10153	1.4
135.11714	0.7
147.11787	0.6
149.13255	0.4
151.11237	0.5
157.10098	0.3
161.09692	0.4
175.11226	0.6
177.12793	0.3
185.04295	0.5
193.12357	0.4
203.05351	0.4
205.12263	0.4
243.08421	2.3
269.17676	0.3
293.20993	0.6
294.21408	0.4
301.09155	0.6
313.17755	0.7
330.28915	0.3
331.18854	1.6
333.20502	1.6
369.15628	0.5
389.22751	0.4
439.19525	0.9
450.69391	0.3
451.19513	1.1
453.21136	0.9
469.20178	0.4
531.25751	1.4
549.26410	2.2
551.28296	6.2
753.70905	0.3
761.40552	1.6
773.40271	0.5
790.39575	0.4
841.46979	5.3
859.47827	100.0
860.48578	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	861.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52669	0.3
71.18501	0.2
72.84099	0.2
75.81811	0.2
89.98852	0.2
138.42583	0.2
158.26324	0.2
179.14374	0.3
184.07401	0.3
266.19421	0.2
435.25983	0.2
635.88177	0.3
861.49683	100.0
862.50140	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	863.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.2
61.54580	0.3
64.59393	0.4
67.05511	3.4
69.03432	2.0
69.07077	1.4
71.44112	0.4
73.02911	1.9
79.05484	2.7
81.03445	1.4
81.07059	4.4
83.04984	0.9
83.08632	1.0
85.02907	2.7
91.03986	1.3
91.05475	2.5
93.07041	2.6
95.04991	0.8
95.08588	1.8
97.02873	2.3
99.04492	0.5
101.02405	1.1
105.07051	1.0
107.08610	1.4
109.10165	0.9
117.07028	0.6
119.08628	1.2
121.10184	0.7
127.03980	0.6
129.07028	0.4
131.08583	0.8
133.10158	1.1
135.11729	0.7
136.06186	0.5
145.10196	0.5
147.11696	0.4
185.04344	0.4
243.08398	1.8
333.20413	1.3
335.22037	1.5
391.24747	0.5
415.66684	0.4
439.19543	1.7
453.21021	1.2
483.73447	0.4
551.28375	3.4
553.29797	5.3
666.23132	0.4
863.51111	100.0
864.51514	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	863.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.2
61.54580	0.3
64.59393	0.4
67.05511	3.4
69.03432	2.0
69.07077	1.4
71.44112	0.4
73.02911	1.9
79.05484	2.7
81.03445	1.4
81.07059	4.4
83.04984	0.9
83.08632	1.0
85.02907	2.7
91.03986	1.3
91.05475	2.5
93.07041	2.6
95.04991	0.8
95.08588	1.8
97.02873	2.3
99.04492	0.5
101.02405	1.1
105.07051	1.0
107.08610	1.4
109.10165	0.9
117.07028	0.6
119.08628	1.2
121.10184	0.7
127.03980	0.6
129.07028	0.4
131.08583	0.8
133.10158	1.1
135.11729	0.7
136.06186	0.5
145.10196	0.5
147.11696	0.4
185.04344	0.4
243.08398	1.8
333.20413	1.3
335.22037	1.5
391.24747	0.5
415.66684	0.4
439.19543	1.7
453.21021	1.2
483.73447	0.4
551.28375	3.4
553.29797	5.3
666.23132	0.4
863.51111	100.0
864.51514	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	866.474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.8
62.52438	0.7
63.15215	0.6
65.03945	0.7
65.33711	0.7
66.03757	0.7
67.05505	26.1
69.03440	1.2
69.07065	4.1
71.04990	8.0
77.03915	1.0
79.05491	23.9
81.03402	3.7
81.07056	34.1
83.04980	3.5
83.08615	4.9
85.02891	2.2
85.06544	4.2
91.03942	1.5
91.04941	1.2
91.05477	17.6
93.07042	24.5
95.04965	6.4
95.08605	8.9
97.02888	2.1
97.06557	2.3
97.10169	1.9
105.04514	0.8
105.07018	12.7
107.04938	1.9
107.08592	8.2
109.06516	2.6
109.10155	2.7
111.08074	2.0
115.90789	0.8
117.07008	2.4
119.08569	6.0
121.06516	0.9
121.10141	3.9
123.08038	1.4
123.11732	4.5
127.07529	1.1
129.06979	5.8
131.08560	2.1
133.10126	9.1
135.11684	1.2
143.08569	1.6
145.10165	3.0
147.11685	10.4
149.13239	4.4
151.11185	2.3
159.11691	2.2
161.09605	1.3
161.13264	3.4
163.05954	0.6
171.11693	8.0
177.12776	0.9
183.13881	0.6
187.13274	1.9
189.12778	1.8
195.13812	1.3
207.13762	7.5
225.14880	1.5
269.17560	3.9
281.17474	7.1
301.20114	2.7
449.28989	17.3
457.29648	0.8
463.30417	2.0
475.30545	100.0
476.31003	2.1
507.33255	13.4
575.17999	0.7
619.34882	0.9
651.37317	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	870.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.7
67.01865	1.0
67.05504	5.9
68.04492	0.5
69.03433	3.6
69.07063	3.9
71.45493	0.8
71.90820	0.5
79.05488	8.3
81.03383	1.5
81.07042	6.6
83.01334	2.2
83.04977	0.9
83.08616	1.5
85.02406	0.9
85.02899	16.0
91.03970	0.7
91.05477	4.1
93.07042	6.4
95.04954	1.5
95.08607	3.5
97.02885	6.1
97.06521	5.8
97.10213	0.9
99.04425	0.9
105.07014	3.7
106.21072	0.6
107.04933	1.9
107.08581	4.4
108.04923	0.5
109.02868	1.6
109.06497	1.0
109.10160	1.9
111.08070	1.6
117.07018	1.3
119.08546	3.0
121.06454	1.0
121.10140	5.8
123.04429	2.0
123.08034	1.4
125.05986	6.9
125.09563	0.8
127.03927	4.9
129.07014	2.0
131.08568	5.7
133.06494	0.8
133.10101	2.1
135.04366	2.2
135.08043	1.1
135.11652	1.5
137.05968	14.2
139.03886	1.1
141.05457	10.0
143.08603	1.0
145.04938	6.7
145.06461	1.6
145.10074	1.9
147.04390	1.1
147.08057	3.4
147.11650	3.2
149.06026	0.7
149.09619	0.8
149.13240	0.9
151.03851	0.6
151.07538	1.3
151.11191	0.6
153.05450	75.1
154.05820	0.9
157.22272	0.5
159.08031	1.6
159.11652	1.6
161.05962	7.7
161.09583	1.0
161.13257	2.3
162.07771	0.7
163.06015	3.1
163.07527	5.6
165.05417	1.4
167.03261	0.6
167.07008	2.3
169.04945	32.5
171.08003	1.5
171.11684	1.3
173.05940	1.0
173.09639	1.0
173.13237	5.0
175.07552	8.5
175.11145	0.8
177.05486	5.0
177.09088	5.7
179.07019	14.0
179.08391	0.5
185.09569	0.7
187.07529	3.6
189.09094	2.1
191.06995	2.7
191.10696	1.6
191.14340	1.0
193.08589	25.7
198.06825	0.6
201.09161	1.1
201.12732	1.0
203.06938	1.2
203.10680	1.7
205.08644	2.7
207.10143	2.6
213.09117	1.3
215.10686	2.1
217.08565	2.4
217.12202	0.8
219.10132	1.3
220.36635	0.5
221.11714	1.1
227.10646	0.7
229.12184	2.8
231.10109	1.9
233.11760	2.2
247.13185	2.7
251.12790	0.6
257.18982	0.6
267.17432	1.2
277.15875	0.6
285.18448	2.8
295.16910	2.3
303.19470	3.0
313.17969	12.9
313.21445	1.2
325.11191	1.3
329.14136	0.6
331.19009	100.0
332.19348	2.2
339.99765	0.5
340.37143	0.6
349.20065	95.8
350.20352	1.8
367.21216	5.6
493.24185	0.7
641.07202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.0
65.03928	0.7
67.05502	25.2
69.03423	1.4
69.07065	8.0
69.07514	3.3
71.04991	3.6
71.08617	0.6
72.46647	0.5
73.02907	1.0
79.05485	17.0
81.03413	40.3
81.07050	33.6
81.07555	0.6
83.04971	3.9
83.08615	14.7
85.02911	3.2
85.06531	2.3
91.03931	1.7
91.05472	13.2
93.07039	24.2
95.04967	14.1
95.08602	9.5
97.02886	2.8
97.06522	5.0
97.10163	2.1
99.08083	1.4
105.07018	7.9
107.04939	3.3
107.08582	13.9
109.02835	0.5
109.06512	2.3
109.10140	2.1
111.04439	1.2
111.08066	6.9
113.05991	0.5
115.05446	0.7
117.07016	4.4
119.04870	0.6
119.08592	7.0
121.06493	2.8
121.10131	9.5
123.04474	0.6
123.08079	1.4
123.11681	1.5
125.09681	0.8
127.03882	0.6
129.06996	4.4
131.08557	7.1
133.06493	1.5
133.10117	5.4
135.08057	1.2
135.11682	4.1
137.09561	1.0
139.11183	0.9
142.07771	0.9
145.06493	0.8
145.10100	1.2
147.08069	2.1
147.11690	4.0
149.09651	2.4
149.13254	14.8
157.10107	5.4
159.11674	6.3
163.06068	0.8
163.11179	0.6
165.12784	0.7
171.08168	0.6
173.09595	0.8
175.11183	5.5
177.12749	2.8
193.12238	13.3
195.13794	3.7
201.12602	0.5
211.13326	2.1
224.27315	0.5
231.13948	0.6
249.14922	1.6
267.15887	39.5
268.16336	0.5
269.17444	42.7
270.17731	0.5
278.47205	0.5
285.17032	0.6
301.14468	0.5
303.74887	0.5
343.22708	0.7
435.27255	6.2
443.27734	0.8
453.28354	2.0
461.28949	100.0
462.29346	3.8
479.29895	6.8
503.30179	2.7
511.32681	3.9
569.30670	1.3
587.32104	1.3
605.32562	1.1
775.15564	0.6
857.10767	0.5
870.49927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16877	2.4
65.03947	4.1
67.05507	100.0
69.03436	13.4
69.07070	57.8
69.07449	3.0
71.05010	15.3
73.02924	2.1
79.05496	67.5
79.18909	2.0
81.03423	20.4
81.07059	96.8
83.04974	13.1
83.08617	24.3
85.02910	9.5
85.06552	8.0
87.04469	2.4
91.05484	60.8
91.06066	3.3
93.03989	2.1
93.07043	64.3
93.07605	3.7
95.04972	19.7
95.08614	37.6
97.02915	12.2
97.06538	46.2
97.10169	21.3
98.22625	4.8
99.04478	4.1
99.08112	6.5
103.05466	4.0
105.04532	2.9
105.07039	49.0
105.17789	1.8
105.18994	2.1
107.04955	16.5
107.08591	52.4
108.16254	2.2
109.02869	3.0
109.06515	19.2
109.10152	49.7
111.04465	2.7
111.08079	9.5
115.07603	10.6
117.07024	20.4
119.08593	37.9
121.06499	9.4
121.10156	24.1
121.38073	2.2
123.08068	7.5
123.11719	5.8
125.05981	2.2
125.09636	16.7
127.03916	2.5
127.07540	2.4
128.06218	2.9
129.07008	11.1
131.08575	27.6
133.06493	6.0
133.10141	38.6
135.08072	15.7
135.11717	16.0
137.09612	6.4
139.07613	3.2
141.07031	3.3
143.08516	10.7
145.06525	3.8
145.10135	24.3
147.08070	7.3
147.11705	15.5
149.09607	16.4
149.13205	10.1
151.11162	11.9
155.08603	6.2
157.10133	9.8
159.08051	3.3
159.11690	17.0
161.09625	5.7
161.13287	7.2
163.11185	9.6
165.09100	3.2
165.12650	3.0
167.08511	3.0
169.10141	3.6
171.10309	2.8
171.11748	6.0
173.04408	3.9
173.11821	4.7
173.13251	6.0
175.11218	4.7
177.12793	9.2
185.13229	4.2
187.14877	3.1
189.11224	8.1
193.12231	2.5
195.11859	2.6
195.13815	5.1
199.14925	2.8
205.12257	4.3
209.13304	2.6
217.15868	4.6
223.13313	11.5
227.12708	17.1
229.14317	21.1
245.18985	4.6
253.14325	23.8
255.15753	4.1
257.19113	9.7
267.15903	9.2
269.17453	36.0
273.18527	28.5
275.20078	29.8
289.18033	2.5
291.19547	84.2
347.22192	10.5
349.23740	27.9
351.25235	3.0
365.23245	52.4
367.24652	6.7
383.24280	2.6
421.25986	2.5
439.27170	3.3
463.30536	5.9
470.45285	2.2
477.28259	5.1
479.29761	5.4
501.31949	4.6
519.33185	43.6
534.44165	2.5
541.34912	8.4
543.36353	8.0
545.34686	5.0
559.36298	60.1
565.37836	2.4
577.37384	4.5
585.27765	2.5
621.41534	9.0
639.42535	38.8
657.43427	18.1
657.82361	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	874.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.8
65.03934	0.7
67.01852	0.8
67.05493	3.0
68.99792	4.5
69.03429	17.1
69.07066	4.7
69.31044	2.7
71.04974	2.0
73.02915	3.9
79.05499	1.3
81.03417	12.0
81.07056	5.2
82.48903	0.6
83.01325	1.8
83.08619	0.9
85.02904	44.2
85.06523	2.8
87.00830	20.5
89.54477	0.6
91.03982	1.3
91.05474	1.4
93.03407	1.0
93.07026	1.1
95.01340	0.9
95.04971	2.2
95.08632	1.2
96.84849	0.7
97.02890	17.1
98.48945	0.7
99.04465	5.8
103.03934	4.8
105.01868	15.1
105.03403	1.2
105.07018	1.6
107.04930	1.6
109.02879	16.5
109.03635	0.9
109.06518	0.9
111.04404	3.1
115.03927	1.4
115.05467	1.4
117.01810	1.8
117.07003	1.2
119.04944	2.4
121.02934	0.8
121.10118	0.7
123.04445	4.1
123.11720	1.2
125.02348	0.9
127.03916	26.0
129.01826	2.7
129.06999	2.6
131.08559	1.0
133.02884	1.1
133.06473	7.2
133.10175	0.6
135.04419	2.1
137.05957	2.3
139.03893	11.8
145.04956	9.0
145.06407	1.6
147.02907	1.3
147.04413	9.5
147.08025	5.0
149.05974	1.7
151.03889	4.2
151.07542	0.8
153.05428	2.6
155.03386	27.3
157.06490	2.0
157.10048	1.2
159.02913	3.3
159.04158	0.7
159.11617	0.6
161.02321	5.9
161.05975	13.9
162.73470	0.7
163.03903	36.5
163.07558	2.6
165.05476	16.3
165.06778	0.5
167.03419	3.6
169.04945	1.7
171.02866	2.8
171.04228	0.9
171.08073	1.6
171.11595	0.6
173.05952	2.0
173.09648	0.8
175.03900	2.7
175.07552	7.3
177.05435	4.6
179.03389	100.0
179.06975	27.4
180.03745	1.2
181.04941	2.5
183.07991	0.6
185.05966	9.1
185.09648	1.6
185.13243	1.0
187.07550	1.7
189.03906	8.1
189.05482	11.2
189.09061	4.5
191.03432	2.2
191.07022	2.5
193.04973	4.3
193.08611	1.1
197.04440	1.5
199.03696	0.6
199.07504	1.3
199.11137	0.7
201.05447	0.9
203.03365	1.4
203.07021	19.3
203.10786	0.8
203.14339	2.2
204.46896	0.7
205.04950	5.8
205.08563	0.8
207.06523	2.0
213.03964	1.7
213.09013	1.6
213.12788	0.8
215.07124	0.8
217.04919	3.3
217.08604	1.8
219.06503	1.1
221.04453	32.7
221.07877	6.7
221.15381	1.6
229.05032	1.1
231.04776	5.4
231.06998	1.0
231.10181	1.3
231.13821	9.4
235.05844	0.7
235.09567	0.7
241.08615	1.0
243.13794	0.9
245.04430	6.0
245.08119	5.5
245.11707	0.7
245.15283	3.6
247.06007	2.4
249.06052	4.2
249.14864	30.5
251.04839	0.7
255.10046	0.9
255.11310	0.8
255.13861	8.0
261.14865	1.1
263.05496	9.8
267.15918	13.9
269.08096	1.1
271.09747	1.5
273.07758	0.9
273.14844	34.8
274.15265	1.3
281.06470	1.5
285.16974	2.6
287.09070	2.9
287.12198	0.6
287.16385	2.0
291.15887	59.1
292.16327	0.9
295.15784	0.7
297.14874	1.8
303.15802	0.9
304.97473	0.7
305.10068	0.8
309.16928	20.8
309.20538	1.1
311.16431	2.2
315.15891	15.0
329.17462	2.6
333.16928	23.8
337.20428	0.8
339.15714	4.7
347.18878	0.7
349.05563	1.3
351.18005	20.0
357.16965	24.5
367.06531	3.7
375.18042	17.7
393.10574	1.1
393.19156	7.0
399.17874	1.6
411.19650	1.0
417.19177	1.1
425.15894	0.9
435.19962	1.8
443.16895	5.4
461.18112	13.9
479.19070	16.6
497.20154	12.9
515.21375	3.8
523.56689	0.7
613.18579	0.8
697.56360	0.7
827.22736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.3
65.03943	1.3
67.01871	0.6
67.05506	7.4
68.99793	0.8
69.03421	2.2
69.07079	5.2
71.04996	1.2
79.05495	5.1
81.03414	2.3
81.07053	10.6
83.04958	1.0
83.08620	3.9
83.72324	0.6
85.02903	13.3
91.03945	0.7
91.05479	5.6
93.03384	0.7
93.07037	4.8
95.04961	2.5
95.08612	9.4
96.77576	0.5
97.02889	3.4
97.06523	4.6
97.10161	2.0
99.04472	1.0
105.06998	4.1
107.04934	2.9
107.08587	6.3
109.02908	2.0
109.06511	1.3
109.10150	2.5
111.04435	6.0
111.08089	2.0
115.05497	0.8
117.07020	2.8
119.04930	1.7
119.08570	3.8
121.02840	1.7
121.06496	1.7
121.10151	5.8
123.04422	10.2
123.08036	1.4
123.11732	1.5
125.09624	1.1
127.03928	8.0
131.04886	1.0
131.08553	4.4
133.06488	2.4
133.10141	3.1
135.04398	1.1
135.08031	1.4
135.11668	2.0
137.05984	2.2
137.09572	0.7
139.03894	94.7
139.11203	0.8
140.04230	1.3
145.04971	4.7
145.06430	1.4
145.10130	2.0
147.04390	6.6
147.08038	2.7
147.11711	3.8
149.02260	0.6
149.05975	5.5
149.13278	2.2
151.03923	3.6
151.07544	1.3
153.05455	5.0
155.03378	20.3
155.08516	1.1
157.10201	0.9
159.04466	0.9
159.08012	1.1
159.11690	1.6
161.05972	8.0
161.09666	1.7
161.13239	4.7
163.03896	15.6
163.06035	2.4
163.07547	7.6
165.05481	20.3
167.07111	1.1
169.05048	0.6
169.10185	0.9
171.04454	1.0
171.08054	1.3
173.05989	2.4
173.09621	1.9
173.13275	3.3
175.03821	0.8
175.07536	2.5
177.05484	5.7
177.09131	2.0
179.03403	4.1
179.07036	22.5
179.14348	0.9
181.04984	1.0
183.08041	0.9
185.06052	0.7
187.07574	2.2
189.05478	2.5
189.09125	2.5
191.03342	0.8
191.07039	4.2
191.14366	1.1
193.04874	0.6
193.08624	2.7
195.06531	0.9
199.07590	1.1
201.09129	2.2
203.03598	0.6
203.07042	3.9
203.10655	1.1
205.04880	5.4
205.08528	3.6
207.10179	1.3
213.09029	0.9
215.10841	1.5
217.08627	2.2
219.06577	0.7
219.10088	3.0
221.04469	4.1
221.11771	0.7
231.06563	0.7
233.11693	1.3
243.10240	0.6
243.17537	1.2
245.04445	0.8
248.51947	0.7
253.15860	1.3
261.18518	3.2
263.20026	1.3
265.14484	0.7
271.16919	4.9
275.16467	1.7
281.15363	1.4
289.17957	8.3
291.19595	3.8
293.17456	10.9
299.16406	7.2
313.17972	1.6
317.14410	0.7
317.17447	42.1
335.18512	71.6
336.18646	1.1
341.17444	2.3
353.19571	100.0
354.20074	1.9
355.19141	1.8
359.18460	7.1
371.20615	25.1
377.19522	5.3
383.18579	2.2
395.20740	2.7
397.19714	0.6
401.19601	7.0
407.18747	0.9
419.20636	6.5
419.25873	0.9
425.19730	2.5
437.21530	5.6
443.20523	2.7
461.22183	2.9
479.22888	3.1
497.23859	1.6
515.24896	1.4
771.73901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.4
67.05511	3.3
69.03424	1.1
69.07073	2.2
73.02914	1.1
77.74658	0.5
79.05509	1.8
81.03426	0.9
81.07056	3.3
82.07408	0.5
83.04994	0.8
83.08618	0.7
85.02907	1.8
91.03966	0.7
91.05495	2.4
93.07053	2.8
95.08620	1.0
97.02900	1.2
97.10202	0.6
99.08097	0.6
101.02417	0.7
105.07043	1.4
107.04936	0.6
107.08619	1.2
109.10182	1.6
117.07042	0.7
119.08595	1.1
129.49298	0.5
131.08601	0.8
133.10155	1.0
135.11702	0.8
145.10213	0.7
149.12068	0.5
154.81496	0.6
184.07448	0.5
185.04225	0.7
201.03882	0.6
223.13362	0.7
243.08556	2.1
269.17685	0.7
291.19717	0.9
301.08777	3.0
315.10504	1.1
331.18881	0.8
346.65909	0.5
373.11169	1.0
385.18405	1.6
413.17834	0.9
429.22711	0.8
481.20712	1.1
484.13815	0.5
487.19556	0.6
539.20874	2.2
549.26794	3.2
621.28864	1.0
623.30176	2.2
679.32782	0.6
691.36566	1.0
721.37012	1.2
789.40411	8.8
829.42578	0.7
857.46411	1.8
875.45953	100.0
876.46356	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	875.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.4
67.05511	3.3
69.03424	1.1
69.07073	2.2
73.02914	1.1
77.74658	0.5
79.05509	1.8
81.03426	0.9
81.07056	3.3
82.07408	0.5
83.04994	0.8
83.08618	0.7
85.02907	1.8
91.03966	0.7
91.05495	2.4
93.07053	2.8
95.08620	1.0
97.02900	1.2
97.10202	0.6
99.08097	0.6
101.02417	0.7
105.07043	1.4
107.04936	0.6
107.08619	1.2
109.10182	1.6
117.07042	0.7
119.08595	1.1
129.49298	0.5
131.08601	0.8
133.10155	1.0
135.11702	0.8
145.10213	0.7
149.12068	0.5
154.81496	0.6
184.07448	0.5
185.04225	0.7
201.03882	0.6
223.13362	0.7
243.08556	2.1
269.17685	0.7
291.19717	0.9
301.08777	3.0
315.10504	1.1
331.18881	0.8
346.65909	0.5
373.11169	1.0
385.18405	1.6
413.17834	0.9
429.22711	0.8
481.20712	1.1
484.13815	0.5
487.19556	0.6
539.20874	2.2
549.26794	3.2
621.28864	1.0
623.30176	2.2
679.32782	0.6
691.36566	1.0
721.37012	1.2
789.40411	8.8
829.42578	0.7
857.46411	1.8
875.45953	100.0
876.46356	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	877.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.4
67.05505	1.8
68.38994	0.5
69.03426	0.6
73.02911	0.8
79.05492	1.5
81.07053	2.0
85.02926	1.2
86.09731	0.5
91.03951	0.6
91.05470	1.0
92.70107	0.5
93.07040	1.4
97.02855	1.2
97.10252	0.6
101.02368	0.6
105.07064	0.9
107.08624	0.5
111.02742	0.5
135.11537	0.7
184.07387	1.3
197.79375	0.6
208.08075	0.5
243.08430	1.0
313.08762	0.7
315.10120	0.5
365.23175	0.8
525.75366	0.6
535.28729	0.7
551.28094	0.8
567.25555	1.0
583.30585	1.1
623.61981	0.7
639.32922	0.7
682.67163	0.6
719.74524	0.6
791.41479	1.0
859.47339	0.8
871.27405	0.6
877.47339	100.0
878.47510	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	877.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.7
65.03931	0.3
65.17480	0.3
67.05505	3.7
69.03439	2.0
69.07068	2.4
71.04995	0.7
73.02927	2.2
77.46056	0.3
79.05501	2.6
81.03412	1.9
81.07059	4.3
83.05000	0.7
83.08627	1.1
85.02901	2.9
91.03971	1.5
91.05479	2.7
93.07053	2.9
95.04967	1.0
95.08606	1.8
97.02895	3.1
97.06548	1.0
97.10193	1.0
98.22613	0.5
99.04475	0.4
101.02380	1.0
105.07005	1.9
107.08581	1.6
109.02882	0.6
109.06556	0.4
109.10164	1.5
115.03922	0.4
116.58335	0.3
117.07023	0.7
119.08607	0.9
121.06508	0.5
121.10172	0.6
125.09650	0.7
127.03967	0.5
129.06995	0.3
131.08578	0.7
133.10117	1.4
135.08040	0.5
135.11736	0.5
137.09709	0.4
145.10197	0.4
147.11693	0.7
159.11745	0.5
184.07280	0.6
185.04277	0.6
203.05380	0.6
223.13351	0.5
243.08401	3.2
244.52090	0.3
259.08057	0.4
291.19672	0.8
301.08987	0.7
331.19012	1.1
333.20547	0.6
349.19897	1.8
351.21634	0.8
387.21579	0.6
389.23129	0.5
413.18063	0.8
429.72284	0.4
439.19394	0.8
453.21051	0.9
499.21649	0.5
549.26801	2.6
550.61017	0.4
551.28241	2.9
567.27905	2.0
569.29321	4.5
585.28693	0.9
673.34180	2.6
689.32001	0.7
780.43005	1.0
795.73431	0.4
877.49127	100.0
878.49323	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	880.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.1
67.05503	9.9
69.03394	1.1
69.07064	5.4
69.10566	0.7
69.10970	2.1
71.04971	1.1
71.08632	12.6
73.02882	1.2
78.91739	0.4
79.05493	9.3
81.03399	1.0
81.07056	12.4
83.04945	1.4
83.08624	8.5
85.02891	2.5
85.06521	0.7
85.09702	0.4
85.10181	7.6
89.06000	0.6
91.03935	2.0
91.05464	2.8
93.07047	14.6
95.04956	3.2
95.08606	25.1
97.02885	3.1
97.06491	1.7
97.10181	2.2
99.04417	2.0
103.05448	0.4
103.07539	1.0
105.07042	2.2
107.04955	4.3
107.08598	12.0
109.06530	0.9
109.10166	5.6
111.04404	0.7
111.11680	0.6
113.05990	0.6
117.07010	3.7
119.08555	5.4
121.06503	2.9
121.09406	0.5
121.10152	7.1
123.11647	1.9
123.12418	0.4
125.05985	1.5
130.07709	0.4
133.10114	1.2
135.07986	1.3
135.11693	27.7
137.13264	1.1
139.07491	1.0
143.08566	0.5
145.10123	15.2
153.12669	0.8
158.22783	0.5
163.06046	0.6
163.11179	40.4
164.11592	0.5
168.78812	0.4
181.12245	6.4
209.11635	0.8
227.12775	43.7
228.13225	0.7
239.23679	1.1
257.24643	1.3
283.15393	87.1
284.15665	1.5
313.27362	79.7
314.27716	2.3
354.08929	0.4
366.17316	0.4
521.38379	100.0
522.38702	3.1
565.65924	0.4
708.40460	0.7
812.20227	0.5
822.74664	0.4
880.49213	1.4
881.48724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.9
67.05162	1.4
67.05504	16.1
67.57346	0.9
69.07058	3.6
71.04992	1.9
71.43475	1.0
73.02877	0.8
74.24573	0.8
78.21596	0.7
79.05047	1.5
79.05493	25.9
81.03417	30.8
81.07063	14.3
83.04974	4.1
83.08617	7.0
85.02882	1.6
85.06516	1.1
91.05479	19.3
93.07045	22.6
95.04972	15.2
95.08601	8.1
97.02870	2.0
97.06480	1.6
97.10165	2.4
105.04524	1.3
105.07031	14.9
107.04961	4.0
107.08600	6.7
109.06514	2.3
109.10174	2.3
111.08076	3.3
113.67303	0.8
115.05450	1.3
117.07010	3.9
119.08576	9.4
121.06494	1.4
121.10116	2.3
123.08045	2.1
129.07019	8.4
131.08562	4.2
133.10115	5.3
142.07745	1.9
143.08559	2.6
145.10132	3.1
147.08043	1.3
147.11676	13.8
148.12091	0.8
149.09598	1.3
150.74797	0.9
157.10126	3.8
161.09633	1.6
161.13226	4.0
163.11140	1.6
171.11684	9.8
175.11252	4.3
184.39717	0.9
189.12733	3.8
193.12242	7.2
207.13828	6.9
238.81131	0.8
267.15903	26.6
281.17474	33.5
339.73215	1.0
421.25925	1.5
473.28970	100.0
474.29327	2.6
481.53348	1.0
491.30124	5.9
515.30017	3.4
581.30725	1.3
761.37244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	15.9
69.03434	2.2
69.07070	8.4
69.75089	2.3
71.04993	2.6
71.08641	16.1
71.36008	1.1
73.02921	2.6
79.05501	12.5
81.03416	39.1
81.07056	18.8
83.04979	9.8
83.08619	20.3
85.02909	21.9
85.10191	9.0
91.03969	7.2
91.05478	16.4
93.07034	8.1
95.04975	15.8
95.08604	16.9
97.02892	6.2
97.06528	1.5
97.10177	3.2
98.23391	1.6
103.07611	1.1
105.07025	11.2
107.04958	3.1
107.08598	4.1
109.06537	3.6
109.10171	7.4
111.04449	2.2
111.08084	6.4
113.06010	2.1
119.08588	9.9
120.82627	1.2
121.10166	4.2
123.08145	1.9
123.11705	2.9
127.03916	1.9
129.07016	5.1
131.08554	6.1
133.06487	1.5
133.10115	6.2
140.26155	1.3
142.07784	1.7
145.05019	1.3
147.08083	1.9
147.11699	8.2
149.09627	3.7
153.58435	1.3
157.10158	9.4
163.06042	2.6
165.12709	2.4
175.11179	8.9
193.12256	29.7
206.54230	1.3
211.13295	41.2
257.24777	2.0
257.70435	1.2
267.15955	14.7
285.16959	53.3
313.23749	2.9
313.27396	59.7
321.72653	1.3
421.40601	1.3
505.38980	12.0
523.39966	100.0
524.40234	2.4
524.73572	1.4
548.86334	1.5
710.13092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	11.8
68.97664	1.0
69.03431	2.4
69.07067	8.7
71.04991	2.0
71.08631	13.4
71.44356	1.2
71.44722	1.2
73.02895	1.2
79.05491	8.6
81.03418	29.2
81.07060	13.0
83.04983	3.2
83.08615	16.0
84.13499	1.0
85.02911	13.7
85.10195	7.6
91.03957	4.6
91.05489	11.0
93.07034	6.7
95.04971	10.0
95.08604	10.8
96.39578	1.2
97.02895	4.8
97.06525	1.8
97.10151	3.6
105.07030	7.1
107.04983	2.1
107.08591	3.5
109.02879	2.9
109.06518	1.7
109.10155	6.1
111.08072	5.0
117.16569	1.1
119.08587	6.7
121.10140	4.0
123.11704	2.6
127.03913	1.6
129.06981	4.4
131.08575	3.7
133.10146	2.4
135.11713	1.6
147.08064	1.5
147.11656	5.2
149.09645	3.2
157.10161	7.5
163.11191	1.3
165.12718	1.8
175.11168	6.6
193.12236	23.7
199.55188	1.0
211.13286	26.8
227.12906	1.4
239.23743	1.4
257.24820	1.8
267.15872	11.9
284.15726	1.1
285.16995	24.9
313.27371	38.1
314.27563	1.2
457.61771	1.5
475.92197	1.2
505.38959	7.0
523.39935	100.0
524.40588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54424	0.9
64.13435	0.9
67.18975	0.8
69.03421	1.2
71.04974	1.1
73.02912	1.9
73.06548	5.2
80.83121	0.9
87.04468	34.8
89.06030	100.0
91.05459	8.7
93.07058	5.9
94.34560	1.0
95.04970	4.5
103.05457	2.7
105.07020	3.5
107.04975	2.0
107.07068	1.1
107.08585	3.1
113.13248	1.1
117.07037	3.1
117.09143	3.6
118.07831	7.5
119.04921	5.1
119.08547	4.8
121.06499	21.2
121.10105	1.2
123.08044	1.0
130.08646	1.6
131.07039	15.5
133.08604	73.2
135.08044	4.2
135.11722	1.7
147.08051	11.9
149.09601	4.8
150.06721	3.3
159.11716	2.4
163.11218	2.6
165.09082	5.6
167.10674	2.4
175.09671	10.2
177.11227	26.8
177.12703	1.9
191.10692	3.7
193.12271	2.3
209.11807	2.3
211.13319	3.8
219.12270	3.9
221.13872	6.7
233.18971	19.2
235.13295	3.9
253.14317	1.1
255.15929	2.5
259.20596	4.9
265.16467	3.5
277.21603	27.4
278.21906	1.2
297.17007	1.0
299.18448	2.3
303.23172	4.3
309.19043	2.2
321.24191	8.1
353.21655	1.9
397.24182	1.0
441.26944	1.3
535.24652	1.1
867.56403	5.3
884.59344	16.0
885.59265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39857	0.3
69.03426	0.9
73.02906	1.8
73.06281	0.3
73.06564	3.0
85.46038	0.4
87.04465	41.1
89.06029	100.0
91.05473	1.2
95.04967	0.6
105.07017	0.6
107.04948	0.8
107.07079	1.2
110.99165	0.4
113.06042	1.7
116.70589	0.4
117.09125	2.1
119.04916	0.4
119.08562	0.9
121.06503	2.4
129.07089	0.4
130.08633	1.6
131.07042	13.2
133.08601	72.9
135.10204	0.9
145.06529	0.5
147.08044	2.6
149.09610	1.5
157.08578	1.1
157.16354	0.4
159.10201	0.5
161.09686	0.6
161.11711	0.6
163.11037	0.4
173.09605	1.1
175.09666	12.8
175.11133	0.8
177.11215	32.3
177.97800	0.4
179.12773	0.4
184.34764	0.4
189.12665	0.5
189.15881	0.3
191.10657	1.5
193.12277	0.7
201.11201	0.4
209.11679	1.2
217.12242	0.6
219.12289	4.9
219.82169	0.3
221.13834	6.9
223.15443	0.7
233.19049	1.7
235.13380	0.9
237.13251	0.6
239.14764	0.9
253.14345	1.0
259.20605	2.4
261.22134	1.0
263.14740	0.9
265.16476	2.4
277.21548	0.7
279.15518	0.4
283.17374	1.2
297.17017	1.3
299.18561	1.1
303.23114	1.6
305.17307	0.4
305.24637	0.5
307.17514	0.5
309.19006	2.0
321.24161	0.6
327.20093	0.4
341.19315	0.5
343.21072	1.0
343.97751	0.4
353.21545	1.2
365.26715	0.5
397.24075	1.2
441.26642	0.5
476.44476	0.4
629.42084	0.5
867.55798	1.3
884.59515	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	885.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62666	0.2
67.05508	1.0
69.03419	2.0
69.07072	0.6
71.08638	1.2
73.02921	2.7
75.76721	0.3
79.05507	0.7
81.03429	1.1
81.07059	1.3
83.04971	0.3
83.08637	0.9
85.02903	3.8
85.10194	0.5
85.50544	0.2
89.06075	0.3
91.03961	1.8
91.05540	0.3
93.07069	1.1
95.08604	1.8
95.93320	0.2
97.02898	3.1
97.03402	0.3
99.04469	0.8
101.02380	1.2
103.03949	0.5
107.08569	0.5
109.02920	0.5
109.10196	0.6
121.10156	0.5
125.99519	0.3
127.03954	1.0
133.10190	0.3
135.11717	1.9
145.04958	0.4
145.10143	0.7
163.11168	2.7
163.12187	0.2
181.12247	0.4
185.04272	0.7
203.05267	0.5
206.68687	0.3
227.12735	3.3
243.08495	1.2
249.10954	5.4
249.13490	0.3
259.25208	0.2
305.13586	1.9
313.27472	1.1
347.09470	2.1
363.08813	0.7
365.10919	0.6
405.13672	5.3
467.18900	10.0
491.16534	0.3
497.30881	5.9
561.38049	0.5
593.43140	0.3
629.24048	8.0
630.23981	0.3
659.36096	6.1
659.46423	0.4
704.07013	0.3
723.42816	3.5
885.48102	100.0
886.48340	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	886.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48895	2.5
64.71123	2.6
66.08030	2.4
66.65083	2.4
66.80710	3.1
67.05503	12.4
69.03422	4.6
69.07103	3.6
79.05492	13.9
79.81023	2.4
81.03416	61.5
81.07048	13.7
82.04418	3.1
83.04980	4.5
83.08607	17.3
85.02903	13.0
91.05495	14.8
93.07065	8.2
95.04951	21.0
95.08607	6.0
97.10142	4.3
105.07038	14.5
107.04948	6.7
107.08606	3.6
109.06519	5.5
109.10216	3.1
111.08102	8.0
116.96172	2.8
117.07029	4.4
119.08582	14.2
121.10149	6.4
123.08041	4.1
125.09646	4.1
129.07027	9.2
131.08585	9.3
133.10144	6.9
143.35382	2.7
143.82484	2.9
147.11650	8.7
149.09676	3.5
157.10097	11.4
175.11188	8.9
193.12215	31.3
211.13313	13.0
249.14948	3.4
255.14009	3.3
267.15900	100.0
273.14777	5.1
285.16895	11.3
335.91913	3.0
364.93817	3.4
367.22488	4.5
380.21832	2.8
385.23950	8.0
433.25848	20.6
441.26425	8.2
459.27371	83.7
476.60168	2.9
477.21716	4.0
477.28470	53.6
519.28967	3.1
697.49402	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	886.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10638	0.6
65.03936	2.1
65.07623	0.6
67.05500	58.0
69.03426	2.8
69.07055	6.9
71.04989	51.4
73.02905	2.6
73.06554	0.6
74.24525	0.6
79.05486	19.6
81.03389	3.3
81.07051	100.0
82.07399	0.7
83.04985	7.1
83.08617	9.5
85.02895	9.5
85.06535	11.6
87.04454	1.0
91.03947	5.1
91.05473	37.7
93.07040	25.3
95.04977	3.7
95.08598	11.0
97.02877	5.8
97.06519	8.7
97.10156	1.0
98.22642	1.6
99.04454	1.5
99.08081	2.1
101.06008	1.2
105.04518	0.8
105.07023	15.3
107.04951	0.9
107.08585	17.9
109.06513	3.1
109.10145	9.4
111.08055	3.2
113.06020	0.7
117.07010	5.3
119.08603	1.8
121.06517	0.8
121.10130	8.0
123.08073	1.1
123.11702	24.0
127.03926	2.3
129.06972	1.2
131.08594	5.5
133.10118	29.0
135.08049	1.5
135.11685	7.2
139.11148	1.5
143.08604	0.8
145.04973	2.1
145.10112	0.8
147.11671	1.4
149.09587	0.7
149.13245	11.3
151.11169	16.7
153.12759	0.7
159.11685	8.5
162.18967	0.7
163.06010	2.6
165.12741	1.1
169.12253	1.5
171.11670	0.8
177.12738	4.2
183.13776	12.7
187.13248	7.7
195.13809	5.0
201.14856	1.0
225.14886	2.6
227.16449	1.3
243.15872	1.2
251.16431	1.5
253.18010	1.2
257.17484	3.2
269.17480	4.8
283.19141	1.1
285.16956	2.1
301.20044	14.1
371.22110	0.6
377.03705	0.6
391.28580	0.9
399.57422	0.6
419.27966	0.8
425.28925	6.7
435.30865	1.2
437.29007	5.7
445.29797	1.3
451.30563	10.6
463.30557	11.7
469.31580	58.4
470.32056	1.3
477.31976	0.8
483.33047	6.9
495.33124	90.6
496.33633	1.6
527.35754	72.2
528.35840	2.1
556.61969	0.7
581.33142	1.2
607.34430	4.4
613.35699	2.1
639.37268	10.3
671.39636	2.2
911.81982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.7
67.05502	58.7
69.03436	9.5
69.07066	23.2
69.26621	3.6
71.01367	1.1
71.04993	2.9
73.02903	1.5
77.00821	0.8
77.03905	0.8
78.70107	0.8
79.05490	27.0
81.03410	10.8
81.07056	30.3
83.04984	7.4
83.08615	13.7
85.02901	6.7
85.06531	2.2
87.04466	3.4
91.05474	20.2
93.07041	17.5
95.04971	9.5
95.08604	13.6
97.02899	10.4
97.06541	5.7
97.10165	16.2
99.08110	1.4
103.03947	0.9
103.05442	1.2
105.04507	1.8
105.07029	14.6
107.04944	6.7
107.08582	13.2
109.02917	0.7
109.06532	4.4
109.10154	40.2
111.04433	1.9
111.08074	3.1
111.18742	0.7
117.06997	6.3
119.03027	0.7
119.04958	1.6
119.08574	13.8
121.06488	2.8
121.10143	6.6
123.08061	3.8
125.09626	11.4
128.06221	1.5
129.05479	2.1
129.06993	5.0
130.07779	1.7
131.08557	8.3
133.06517	3.7
133.10118	6.6
134.07292	2.0
135.08047	3.0
135.11716	4.1
137.09605	3.6
142.07758	1.3
143.08539	2.6
143.10680	1.5
143.28151	0.7
145.06470	1.8
145.10085	6.9
147.08052	5.8
147.11682	2.4
149.09596	2.0
149.13185	1.4
151.11177	2.5
153.09073	1.0
153.12715	1.3
155.08498	1.1
155.10628	2.4
157.08635	0.8
157.10124	2.4
159.11664	3.0
161.09692	1.7
162.10429	1.2
163.11154	4.8
165.09134	1.8
171.11726	1.2
173.09534	1.7
173.11731	7.5
175.11198	2.3
181.12137	1.0
189.11214	3.8
191.10684	2.0
193.12184	2.0
199.13278	3.3
205.12297	1.9
209.11757	2.8
211.13293	1.3
223.13281	16.8
227.12791	7.7
229.14333	29.5
245.13837	1.0
245.19034	2.0
247.03087	0.8
247.40892	0.8
247.82916	0.8
249.14877	3.4
250.11501	0.8
253.14316	3.3
255.17534	0.9
263.19986	1.0
265.14288	1.3
267.15875	4.6
273.18475	12.6
283.15402	2.9
291.19528	100.0
292.19830	1.7
301.16455	8.7
313.27234	1.1
347.22128	1.3
348.09494	0.8
365.23218	35.5
399.23807	10.7
425.25107	1.1
442.96912	0.9
489.31796	2.5
497.27576	1.1
501.32214	0.8
507.33078	2.4
519.33148	29.6
519.40881	1.6
520.33441	1.6
557.34747	1.0
573.34283	2.3
591.35327	8.0
609.36084	1.4
689.42670	15.1
866.58923	0.9
886.48425	1.6
887.49048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	3.9
69.03424	3.3
69.07082	1.1
71.01366	0.6
71.04984	0.5
71.08636	1.2
71.19184	0.3
73.02923	3.1
79.05489	2.2
79.98926	0.3
81.03425	2.2
81.07059	4.1
82.51391	0.3
83.04976	0.7
83.08607	1.6
85.02901	5.5
85.10202	0.6
89.57205	0.3
91.03951	2.9
91.05469	2.2
93.07049	2.6
95.05001	1.0
95.08611	2.7
97.02898	4.5
97.03483	0.4
99.04497	1.2
101.02354	2.1
103.03979	0.4
105.07044	1.1
107.08623	1.3
109.02902	0.9
109.10189	1.1
111.08120	0.5
115.03979	0.4
117.06979	0.7
119.08578	1.2
121.10165	0.8
127.03938	1.5
129.07013	0.4
131.08577	0.9
133.10149	1.1
135.11713	0.6
139.86685	0.3
145.05072	0.4
146.84877	0.3
147.11714	0.7
149.09689	0.3
149.13324	1.0
157.10141	0.5
163.10939	0.3
175.11121	0.4
185.04338	1.2
193.12338	0.9
203.05333	0.8
211.13484	0.3
243.08369	1.6
251.12616	0.8
253.14328	0.8
261.22119	0.5
269.17340	1.5
307.15198	0.4
313.27380	0.7
335.25784	1.6
347.09518	2.0
357.76257	0.3
363.08975	0.6
365.10739	1.1
366.47739	0.3
405.13596	4.9
451.20193	0.3
469.20499	8.0
497.30853	4.6
518.81934	0.3
529.38879	3.7
631.25659	7.3
634.00751	0.3
659.36090	4.3
725.44458	2.4
810.80298	0.3
887.49707	100.0
888.49786	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	887.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.3
69.03443	2.3
69.07045	0.9
73.02942	1.7
81.03416	2.2
81.07056	1.5
83.08611	1.0
85.02906	4.1
91.03977	2.1
91.05526	1.0
93.07057	0.8
95.04984	0.9
95.08588	1.0
97.02898	3.6
99.04469	1.1
101.02407	1.2
109.10195	1.2
127.03917	1.2
129.15779	0.7
185.04237	0.8
211.13361	1.2
243.08427	0.8
251.12679	2.0
259.33188	0.7
313.27481	1.0
347.09686	2.2
381.30954	0.7
405.13742	3.8
465.67914	0.7
469.20410	8.6
497.30719	4.4
500.05634	0.7
631.25781	6.8
659.36340	4.8
659.45959	1.1
722.12976	0.8
725.44611	2.9
832.09351	0.9
886.19775	0.9
887.49628	100.0
888.49194	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	888.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51458	0.8
65.03893	2.0
67.05503	54.3
67.05848	2.1
69.03434	3.3
69.07066	18.1
71.01315	1.1
71.04992	3.7
71.08585	1.1
71.27956	0.7
73.02917	4.7
79.05493	39.3
81.03368	2.2
81.07056	65.4
81.07499	2.1
83.04984	4.4
83.08617	10.4
85.02901	11.6
85.06533	3.3
91.03968	6.3
91.05484	19.8
93.07043	51.6
95.04964	6.5
95.08604	28.2
97.02892	6.2
97.06529	7.3
97.10117	2.2
99.04414	1.3
99.08044	1.8
99.79652	0.6
101.73292	0.7
105.04449	2.2
105.07043	10.5
107.04944	1.3
107.08592	27.7
109.06480	1.5
109.10159	12.8
111.08059	4.0
113.05960	1.0
115.05418	0.7
117.07017	6.4
119.08580	7.7
121.10145	19.9
123.07984	0.9
123.11694	4.0
125.09576	1.5
127.03848	2.7
129.06978	0.9
131.08563	10.4
133.10118	8.4
135.07997	1.4
135.11688	9.1
137.13170	0.9
139.11130	1.5
145.04912	2.4
145.10118	3.8
147.11700	4.4
149.09631	1.6
149.12141	1.0
149.13257	19.6
151.11147	1.7
157.10068	1.0
159.11688	10.2
161.13225	2.1
163.06015	2.1
163.11093	1.2
163.14771	1.4
173.11728	0.6
173.13226	2.3
175.14786	0.8
177.12698	3.1
187.14751	1.1
192.72816	0.8
195.13802	7.5
212.49068	0.6
213.14822	1.2
229.14284	1.4
243.08165	0.8
243.20990	2.4
253.14235	2.0
259.20428	0.8
261.22177	9.1
267.15988	3.1
269.17465	88.2
270.17795	0.9
272.64224	0.9
273.18582	0.9
291.19485	3.5
293.21008	2.3
317.24863	1.5
321.23511	0.6
335.25800	44.6
336.26117	0.7
339.44385	0.7
365.23236	1.5
366.37869	0.7
401.69211	0.7
437.33902	1.5
455.34976	1.9
469.20392	1.2
473.36304	0.8
477.47885	0.7
511.37897	0.9
519.33356	1.1
520.57837	0.7
529.38879	100.0
530.39221	2.4
547.40253	3.8
547.49316	0.6
631.25946	1.2
632.26331	1.5
660.36884	1.0
888.50043	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	889.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96544	0.3
65.50602	0.4
67.93523	0.4
68.64826	0.3
69.41142	1.8
83.01097	0.7
87.04488	0.9
89.06050	1.2
90.06385	0.5
91.06421	0.5
93.31074	0.4
111.04223	2.3
116.02325	0.4
127.03692	0.8
133.08669	0.9
142.06059	0.4
155.06892	1.3
171.06334	1.1
183.10092	0.6
184.10826	0.4
193.98996	0.4
199.09401	1.9
200.10352	0.8
211.12872	0.4
214.11876	0.6
215.08978	1.1
227.12598	0.8
230.69173	0.4
231.90198	0.4
243.12105	1.6
257.13623	0.4
259.11673	0.7
267.36710	0.4
269.31226	0.4
271.15277	1.4
286.81409	0.4
287.14774	2.4
301.36835	0.4
303.14215	0.6
331.17404	0.9
375.20084	1.3
377.35178	0.4
383.99741	0.4
387.30154	0.5
391.19357	0.7
419.22803	1.1
463.25381	1.5
474.87683	0.4
479.24481	0.8
507.28259	0.5
523.27087	0.5
551.30615	0.8
567.30005	1.1
621.03741	0.5
639.35651	1.4
655.35413	0.7
817.45569	1.3
889.54883	100.0
890.54956	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	891.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	9.4
69.03422	3.4
69.07063	1.7
73.02905	5.6
79.05504	2.2
81.03429	2.9
81.07050	5.2
83.08602	0.9
85.02901	5.5
91.03946	4.1
91.05483	3.0
92.67322	0.8
93.07051	1.6
95.04961	1.0
95.08617	2.5
97.02878	4.5
97.06535	1.3
98.23457	3.0
101.02409	1.9
105.07024	2.3
107.27591	1.0
108.50545	0.9
109.10161	8.2
119.08611	1.7
120.04579	0.9
121.10174	1.0
127.03933	2.9
133.10155	2.5
151.11163	1.1
167.18573	0.9
173.11758	2.1
185.04214	2.0
193.12387	1.3
229.14339	1.2
243.08473	5.1
278.21497	0.9
301.08853	2.6
313.17764	2.5
315.10361	1.3
331.18860	4.1
385.18280	3.1
413.17792	15.5
429.17426	2.3
451.19370	1.5
452.57889	1.0
455.19098	1.8
485.19012	1.2
531.25763	3.0
539.20911	3.3
549.26654	5.8
566.78412	1.0
621.29083	1.5
623.30225	5.5
653.31335	2.6
703.36932	8.0
721.37634	100.0
722.38080	3.6
747.40094	1.4
749.40424	4.5
777.39948	3.7
891.47070	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05412	6.1
67.05815	1.2
69.03336	3.2
69.06976	1.6
69.07303	0.5
71.01313	0.6
71.04942	1.0
72.67280	0.4
73.02817	2.6
75.10524	0.5
78.01098	0.5
78.78636	0.4
79.05396	2.0
81.03329	1.3
81.06953	3.3
83.08554	0.9
85.02801	4.7
91.03926	2.9
91.05365	2.0
93.06937	2.4
95.04888	0.8
95.08495	1.7
97.02882	3.3
99.04371	0.8
101.02280	1.4
103.43406	0.5
105.06970	0.8
107.08498	1.7
109.02802	1.1
109.10150	4.9
111.08063	0.8
117.06948	0.6
119.08462	1.9
119.24641	0.4
121.10031	1.0
123.32240	0.5
127.03800	1.1
131.08440	1.1
133.10014	0.6
135.11615	1.1
137.76187	0.5
173.11609	1.6
179.15073	0.5
183.85049	0.5
185.04131	0.9
229.14244	1.0
242.16014	0.5
243.08365	2.6
275.05719	0.5
301.08890	2.3
315.10519	0.6
333.20251	2.4
342.63348	0.5
373.10968	0.9
373.23093	0.5
384.59454	0.5
385.18274	1.2
389.23175	0.7
400.62543	0.5
412.43420	0.5
413.17728	10.3
429.17612	0.5
439.19247	1.3
441.20691	0.6
453.20886	2.0
469.20462	1.0
477.24487	1.0
513.23328	0.5
541.22333	4.4
551.28253	7.1
561.34106	0.8
571.39221	0.5
610.29333	0.6
623.30389	1.6
625.32397	3.3
630.03168	0.5
651.33423	0.8
655.33093	0.8
679.36395	0.7
705.38403	0.6
707.39685	1.0
721.37280	1.4
723.39215	100.0
724.39825	3.2
749.40869	1.6
751.42078	3.6
779.41962	3.4
852.84393	0.5
893.48694	31.4
894.48840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.487
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84010	0.4
65.03857	0.5
67.05387	5.2
67.05772	1.1
69.03311	2.5
69.03706	1.0
69.06951	2.1
69.07353	0.8
69.98667	0.4
71.04894	0.9
73.02789	2.4
76.08849	0.4
79.05360	2.6
81.03272	1.8
81.06917	4.1
81.07439	0.8
83.04884	0.4
83.08492	1.3
83.08955	0.5
85.02761	4.4
85.97610	0.4
87.04369	0.8
91.03805	3.0
91.05334	2.4
93.06905	2.5
93.07530	0.7
95.04876	1.0
95.08454	1.8
97.02743	3.8
97.06417	0.8
99.04333	0.9
101.02216	1.5
102.01497	0.6
105.06871	1.4
107.08442	1.3
109.02757	1.0
109.09997	4.9
111.07868	0.7
115.03791	0.4
117.06895	0.7
119.08421	1.2
121.10017	0.6
127.03759	1.7
131.08463	0.9
133.09949	1.3
135.11572	0.6
137.09483	0.8
145.04829	0.6
145.10025	0.6
147.11565	0.5
155.10484	0.5
163.68918	0.4
164.79170	0.4
173.11569	1.8
185.04070	1.2
195.09709	1.3
203.05173	0.8
229.14201	1.1
243.08426	3.7
251.12347	0.6
263.48340	0.4
275.05615	0.7
286.61310	0.4
301.08722	1.9
315.10400	0.8
333.20370	3.2
369.15112	0.7
371.17133	0.5
373.11212	0.9
385.17987	1.4
413.12595	0.7
413.17807	12.2
429.17139	1.4
439.19226	1.5
441.21033	0.5
453.20840	1.5
469.20230	2.1
477.24603	1.2
481.20053	0.8
500.21912	0.8
541.22858	3.9
549.26447	0.5
551.28271	10.2
553.30847	0.5
561.33673	1.2
583.27960	0.6
584.31018	0.6
610.29962	0.8
623.30554	1.6
625.31964	2.8
637.31958	0.7
639.66962	0.6
655.32782	0.5
665.35120	0.9
679.36011	0.6
694.38715	0.6
705.38129	1.0
721.37012	2.3
723.39215	100.0
724.39746	3.5
749.40717	1.4
751.42230	4.1
779.41315	3.3
795.41528	0.6
893.48627	33.5
894.49176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05506	33.7
67.05864	2.2
69.03429	1.6
69.07072	7.1
69.25016	5.0
71.04999	13.0
71.08633	15.6
72.93253	0.8
73.02924	1.4
79.05487	8.0
81.03414	1.5
81.07059	55.4
83.04975	2.3
83.08625	9.5
85.02905	7.3
85.06551	5.8
85.10187	8.0
91.03970	4.5
91.05482	10.7
93.07038	5.9
95.08602	15.4
97.02895	4.7
97.06545	2.8
97.10169	4.7
98.22710	2.0
99.08084	1.4
99.11729	1.1
105.07043	4.2
107.08574	6.4
109.10159	9.3
111.14874	0.9
121.10147	0.9
123.11697	10.0
127.03886	2.3
131.08566	2.1
133.10132	10.3
135.11752	1.0
137.13225	1.1
145.04909	1.4
149.13266	2.9
151.11200	5.5
159.11703	1.6
163.06003	2.8
169.12202	1.4
177.12805	1.8
183.13908	1.1
187.13293	3.1
195.13930	1.5
239.23730	2.0
252.07375	0.9
257.17404	1.9
269.17502	4.0
301.20065	12.5
313.27356	13.4
365.51532	1.0
438.06952	0.9
481.38910	57.5
482.38968	1.3
495.40118	1.6
507.40598	6.3
539.43073	100.0
540.43713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79430	1.0
67.05504	4.1
68.99790	4.5
69.03428	31.6
69.07077	5.8
71.01357	1.4
71.05002	4.3
71.08636	1.1
73.02908	4.7
79.05491	2.6
81.03411	21.5
81.03834	1.6
81.07062	7.0
83.01344	2.3
83.08628	3.8
85.02900	80.1
85.10174	1.7
87.00290	1.6
87.00822	32.5
87.04456	1.5
91.03960	1.5
91.05481	3.8
93.03399	1.9
93.07036	2.1
95.04975	3.9
95.08610	10.9
97.02890	32.2
97.10172	2.1
99.04453	10.7
103.03954	3.8
105.01860	30.2
105.03363	1.0
105.07030	3.8
107.04957	2.9
109.02872	24.4
109.06523	1.7
109.10143	2.4
110.46729	1.0
111.04427	5.0
111.96671	1.0
113.09631	1.2
115.03909	4.0
115.05447	1.8
117.01870	2.2
117.07041	2.0
119.04949	3.2
119.08593	2.8
121.02843	1.6
123.04424	9.3
125.02299	1.6
127.03902	50.7
129.01845	4.1
129.06987	1.8
131.04959	1.5
131.08600	1.6
133.02884	2.4
133.06488	8.1
133.10191	0.9
135.04396	4.7
137.02344	1.2
137.05966	2.8
137.09579	1.0
139.03889	32.2
139.36937	0.9
141.07129	0.9
143.04933	1.0
145.04948	18.0
145.10138	3.1
147.02945	2.1
147.04422	9.7
147.08041	7.5
149.05988	3.4
151.03867	6.4
151.14799	1.7
153.05481	4.5
155.03378	29.4
157.06471	3.4
159.02917	8.3
159.04298	1.7
159.08058	1.2
159.11662	1.0
161.02312	6.5
161.05971	13.9
163.03894	95.9
163.07567	3.1
164.04245	1.1
165.05457	21.1
167.03371	6.7
169.04976	2.6
171.02902	3.7
171.08116	1.5
173.05981	2.6
173.09615	1.1
175.03860	5.6
175.07521	6.6
176.04672	1.0
177.05434	10.4
177.09106	2.4
179.03386	100.0
179.06975	26.7
181.04980	1.7
185.06004	6.6
185.09581	1.5
187.07579	3.1
189.03923	5.5
189.05487	14.4
189.09106	3.3
191.03400	2.6
191.06981	2.3
191.10669	1.1
192.04143	1.4
193.04942	8.1
193.08592	2.7
199.07471	1.8
201.05531	2.1
201.16406	1.9
203.03529	2.7
203.07027	24.0
203.10768	1.8
203.18044	1.0
205.04947	20.4
205.08606	2.1
207.06508	2.2
213.03917	3.6
213.05676	1.7
213.09204	2.2
215.07028	1.8
217.04904	6.8
217.08623	3.6
219.03157	1.4
219.06549	3.3
219.10155	1.3
219.17403	1.7
221.04439	36.3
221.08080	3.8
227.06937	1.8
229.04964	5.9
229.08667	2.3
231.04794	12.5
231.10182	2.3
231.17456	2.5
233.04599	1.3
235.06053	2.6
241.08525	1.4
243.10136	1.2
245.04463	15.0
245.08118	5.2
247.06068	8.3
249.06079	7.9
249.18459	4.1
257.07956	1.0
259.16879	7.5
263.05511	14.0
265.07141	1.7
271.08054	1.3
273.18542	4.0
277.17957	26.0
281.06580	2.9
283.16852	3.7
287.09128	3.0
295.19043	26.1
301.14557	1.5
301.17972	26.6
307.19153	1.8
313.20114	13.0
315.07150	1.3
315.19662	2.8
319.19009	59.9
320.19620	1.2
325.11337	1.6
325.20541	1.7
335.18640	1.5
335.32684	1.1
337.20071	63.1
339.19568	3.2
343.19009	13.1
357.20563	6.3
361.20047	29.2
367.19067	6.2
373.20056	1.5
375.21689	1.7
379.21124	41.0
385.20038	32.2
393.10138	1.9
403.21155	48.0
421.22147	30.2
427.21103	1.4
439.23123	2.4
445.22049	2.2
457.24390	1.3
463.23093	2.1
471.20096	4.1
489.21182	14.5
507.22247	17.9
525.23358	11.2
543.24347	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	902.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.6
67.05504	51.9
68.02641	2.0
69.03417	10.5
69.07072	11.1
69.92783	5.5
71.04987	5.7
73.02901	4.5
79.05492	39.7
81.03415	100.0
81.07053	35.4
82.04194	4.1
83.04974	24.3
83.08618	30.1
85.02914	12.8
85.06530	3.2
87.02119	2.2
87.85745	1.7
91.03915	2.3
91.05474	36.4
93.07047	34.1
94.60815	1.9
95.04971	41.1
95.08591	15.7
97.02895	11.3
97.06526	12.2
97.10146	15.6
98.07287	2.9
99.08056	3.2
105.04505	3.0
105.07014	22.2
107.04949	22.9
107.08593	22.5
109.02850	2.1
109.06505	6.5
109.10147	24.4
111.04449	15.1
111.08080	16.3
115.05430	2.9
116.04693	8.7
117.07009	8.5
119.08565	24.6
121.02862	6.2
121.06523	9.0
121.10143	19.2
122.35070	1.8
123.04420	5.0
123.08049	6.3
125.09629	16.9
127.03896	3.6
129.05492	20.8
129.07005	12.8
131.04939	2.8
131.08566	19.6
133.06508	4.3
133.10146	13.0
135.04416	4.8
135.08057	6.0
135.11696	18.1
136.08827	1.9
137.09607	5.2
143.07068	6.1
143.10652	2.0
144.53246	1.9
145.06499	2.1
145.10135	12.4
147.04410	3.6
147.08046	7.0
147.11691	12.5
149.09589	10.1
151.07574	2.0
153.12743	26.5
155.08676	2.2
157.08615	12.4
157.10123	16.2
163.11166	22.0
171.10127	4.8
173.09627	3.9
173.11751	5.5
173.13266	3.5
175.11183	14.7
181.12241	18.9
183.11702	3.2
185.11707	2.8
185.13222	2.3
189.11273	14.5
189.12738	2.9
191.10629	11.7
193.12227	45.9
199.13266	3.3
200.14058	3.1
201.14790	3.3
205.12283	2.8
209.11685	11.9
211.13199	9.5
219.13805	5.6
223.13292	3.1
227.12769	55.0
229.12248	3.5
229.14345	22.4
231.13815	3.2
247.13298	31.7
249.14833	6.8
255.15930	2.4
265.14478	3.6
267.15887	88.9
268.16357	2.2
283.15387	34.6
285.16983	2.5
301.16565	26.9
309.16925	2.0
321.16916	10.0
335.18713	2.3
339.18137	2.5
383.22144	6.7
401.22858	4.6
421.25787	4.0
439.27051	4.9
447.27621	4.1
457.26038	6.5
459.27429	3.0
461.28809	5.3
475.26862	34.1
476.27673	2.6
493.27936	35.1
525.30579	6.0
902.50275	2.6
928.20941	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	902.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.9
67.05502	13.3
69.03432	1.0
69.07067	2.8
70.06584	0.5
70.14088	0.4
70.14428	0.6
71.04994	6.2
73.02921	0.6
77.03900	0.4
79.05489	6.9
79.41757	0.4
81.03417	11.5
81.07054	20.8
83.04992	1.7
83.08627	5.2
85.02903	1.7
85.06530	2.8
91.03954	1.2
91.05479	9.2
93.07043	6.2
95.04966	8.8
95.05536	0.6
95.08604	4.2
97.02898	0.9
97.06541	1.8
97.10168	2.4
99.08129	0.7
105.04543	0.5
105.07028	6.6
107.04947	5.1
107.08594	5.1
109.06511	4.4
109.10152	3.5
109.61213	0.3
111.04440	0.3
111.08067	1.6
115.05398	0.3
117.07027	2.5
119.08576	4.0
121.06502	4.6
121.10138	3.9
123.04405	0.5
123.08087	1.4
123.11703	3.7
125.09624	2.9
129.06990	2.5
130.07753	0.4
131.04912	0.9
131.08575	6.2
131.09477	0.6
133.06502	1.5
133.10135	5.8
135.08058	1.5
135.11673	2.0
137.09650	0.7
141.06978	0.6
141.83997	0.4
142.07713	0.5
143.08578	1.3
145.05095	0.5
145.06500	2.1
145.10112	2.9
147.08095	1.3
147.11693	2.8
149.09631	1.9
149.13289	1.3
151.11157	1.9
153.09108	0.5
155.08534	0.7
157.10159	2.6
159.08093	0.9
159.11656	1.6
161.09645	1.1
161.13255	0.6
163.06058	0.5
163.11229	1.1
169.10118	0.5
171.08020	0.4
171.11726	1.4
173.09657	0.6
173.11922	0.6
173.13235	1.9
175.11238	2.1
177.12756	0.9
181.10091	0.5
183.11745	0.9
183.13794	0.3
185.13274	1.1
187.11191	0.6
187.13274	1.0
189.09145	0.6
189.11227	0.9
189.12791	0.5
191.14354	2.1
193.10442	0.5
193.12222	3.6
195.11708	0.7
197.13298	0.6
199.11136	0.3
199.14781	0.5
201.09001	0.3
201.12816	0.6
203.14400	0.4
205.12268	1.0
209.13322	0.4
213.12770	0.5
215.14352	0.4
217.12059	0.4
219.13814	2.8
221.15346	0.5
223.13284	0.4
225.14801	0.5
227.14374	0.4
229.16008	0.4
231.13823	0.5
235.13231	0.4
243.15895	0.6
245.15315	0.3
249.14815	0.9
257.15219	0.7
257.17593	0.8
267.15869	4.5
269.17596	0.6
273.14896	0.5
275.16333	1.0
275.19644	0.4
277.14566	0.3
301.14410	0.8
301.20010	2.2
301.53720	0.3
315.23138	0.4
325.21674	1.4
343.22678	3.9
351.23230	1.2
361.23810	1.1
369.24390	2.5
371.25922	0.7
387.25143	1.5
407.25693	0.6
417.26355	2.8
425.27029	0.9
435.27390	10.1
443.27863	6.0
445.23917	0.4
461.28958	100.0
462.29272	2.5
475.30597	1.3
477.28192	0.9
485.28085	0.5
493.31686	2.8
503.29852	1.3
527.29858	0.6
535.32275	0.5
543.29468	0.7
569.31152	1.6
587.32031	1.8
589.33459	1.5
601.33875	1.6
605.33105	1.8
619.34802	2.6
623.33875	1.3
637.35999	2.2
717.45630	0.4
902.50275	0.5
920.69897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	18.0
69.03421	3.9
69.07071	4.1
71.04981	4.6
72.03678	0.9
72.67935	0.6
73.02920	1.1
75.30528	0.7
77.03923	0.8
79.05491	20.1
81.03413	44.5
81.07059	15.9
83.04974	4.8
83.08620	15.4
85.02911	4.3
85.06544	1.8
87.04465	0.7
87.52836	0.6
91.03961	1.9
91.05477	15.9
93.07045	14.9
93.07612	1.3
95.04966	20.4
95.08601	8.0
97.02895	2.9
97.06522	2.7
97.09588	1.4
97.10169	13.7
99.04467	1.4
99.08065	0.7
103.88583	0.6
105.04517	1.0
105.07033	11.7
107.04950	14.3
107.08588	11.5
109.06517	16.0
109.10165	6.9
111.04458	1.9
111.08083	4.9
115.05447	0.9
117.07024	4.2
119.04959	1.0
119.08580	10.1
121.06502	10.2
121.10139	9.8
123.04404	2.0
123.08060	3.9
123.11711	0.9
125.05984	1.0
125.09618	11.1
127.03909	1.0
129.06995	6.9
131.04971	1.3
131.08571	11.9
133.06487	3.0
133.10117	5.1
135.08067	6.2
135.11711	2.1
137.05972	1.2
137.09596	1.2
139.11171	1.7
141.07045	1.1
142.07762	1.6
143.08585	1.8
145.06483	5.1
145.10135	5.1
147.04320	1.6
147.08061	4.4
147.11705	5.6
149.06033	1.1
149.09618	5.9
153.09131	2.1
153.12720	0.8
155.08615	1.2
157.06557	1.3
157.10126	6.6
159.08104	1.7
159.11714	1.6
161.05977	1.3
161.09660	1.6
163.06041	1.4
163.11176	4.4
165.12820	1.3
167.10686	0.9
169.10133	1.4
171.08080	1.8
171.10222	1.3
171.11681	1.8
173.09602	1.7
173.13268	1.9
175.11177	6.8
177.12724	1.1
183.11661	1.0
185.09732	0.8
185.11693	0.7
185.13271	1.6
187.11191	1.3
189.11230	5.4
189.12830	1.9
191.10632	1.1
191.14316	3.5
193.12233	17.1
195.07918	0.7
195.11633	1.0
197.13321	1.0
199.11189	1.9
201.12701	1.8
205.12253	1.9
211.13315	1.9
213.12794	1.9
215.14301	1.5
217.12289	1.4
219.11800	1.5
219.13773	8.4
223.13293	1.3
227.12756	1.9
229.14203	1.0
231.13715	1.5
233.15428	4.1
237.12801	1.5
239.14449	0.8
249.14975	1.3
255.13841	2.2
259.13199	1.1
259.15411	4.9
267.15897	46.3
268.16324	0.9
273.14789	5.2
275.16461	1.2
293.17441	4.3
309.17026	1.3
339.23221	2.5
349.21536	3.6
357.24179	1.4
367.22681	10.7
385.23721	18.0
403.24799	5.2
433.26016	1.0
441.26337	8.8
451.26877	6.8
459.27393	91.0
460.27615	2.0
461.29117	1.3
477.28470	100.0
478.28848	2.6
491.30106	9.7
495.29468	9.6
501.28415	4.8
509.31567	4.0
513.28540	2.0
519.29474	1.6
531.29669	1.9
543.29413	2.8
555.29401	1.2
567.29596	5.5
585.30798	1.8
603.31238	1.0
621.33185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.6
67.05500	38.5
69.03417	3.7
69.07069	9.6
71.01308	0.5
71.04993	2.6
71.08582	0.5
73.02900	2.7
77.03886	0.7
79.05487	27.9
81.03411	30.9
81.07051	39.0
82.86766	0.4
83.04973	8.9
83.08617	14.8
85.02898	20.7
85.06534	2.5
87.04401	0.6
91.03953	5.5
91.05473	25.6
93.07037	29.9
95.04356	0.6
95.04961	15.5
95.08601	25.3
97.02895	5.8
97.06519	5.4
97.10159	3.1
98.23447	1.8
99.04405	0.7
99.08056	1.7
102.84835	0.5
103.05430	0.7
105.04455	1.6
105.07021	18.8
107.04955	4.4
107.08586	15.5
109.06502	3.3
109.09442	0.8
109.10143	13.4
111.04386	2.0
111.07410	0.6
111.08070	5.5
112.04620	0.4
113.05945	1.6
115.05383	0.5
117.06999	3.3
119.04925	0.5
119.08573	17.6
119.40427	0.4
121.06479	1.8
121.09274	0.7
121.10136	14.4
123.08076	2.4
123.11697	3.9
125.09566	1.9
127.03930	2.4
128.06187	0.6
129.05449	0.6
129.06259	0.5
129.07008	5.2
131.07669	0.6
131.08560	10.9
133.06430	1.6
133.10127	13.0
135.08044	1.1
135.11681	7.5
137.09608	2.3
137.13217	1.0
139.11104	0.5
139.90759	0.4
140.66504	0.5
141.18092	0.5
142.07719	1.3
143.08496	0.9
145.04967	2.2
145.10124	4.8
147.07996	1.3
147.10608	0.7
147.11676	11.0
149.09610	4.9
149.13228	3.6
151.11134	1.1
155.08574	0.8
157.10110	7.9
159.11697	3.7
161.13283	2.2
163.05986	2.1
163.11139	1.4
163.14772	2.0
165.12674	1.7
169.10081	0.5
171.11633	0.7
173.11830	0.9
173.13133	2.4
175.11183	8.5
175.14766	1.3
177.12721	0.9
177.16270	0.5
183.11668	0.6
185.13286	0.7
187.14761	1.4
189.11211	0.5
193.12227	21.9
201.16380	0.7
211.13266	28.7
225.86421	0.5
227.12727	1.3
229.14270	1.8
233.22751	0.6
243.21063	1.9
253.14287	1.6
261.22131	8.2
267.15866	11.7
269.17358	0.6
273.18423	0.5
275.19958	0.7
277.21677	0.5
279.23138	0.6
283.15210	0.7
285.16946	39.4
286.17096	0.7
291.19330	2.1
297.22327	0.4
301.25128	0.6
317.24695	1.9
335.25781	60.5
336.26089	1.1
347.22186	0.7
365.23196	1.5
415.12961	0.6
435.32550	1.0
453.33597	1.6
471.34760	1.7
472.34766	0.5
509.36288	0.7
519.33014	0.8
527.37262	12.7
545.38336	100.0
546.38617	2.4
563.39587	0.8
689.42615	0.7
707.42737	0.7
904.49310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5068
Annotation	C21217
Peak:m/z	Relative Intensity
63.26124	0.3
67.05510	3.2
69.03429	2.8
69.07067	1.6
69.58572	1.4
71.01366	0.3
71.04999	0.6
71.08649	0.6
73.02917	3.3
78.33139	0.4
79.05493	2.4
81.03412	2.9
81.07063	3.5
83.05014	0.8
83.08631	1.1
84.08598	0.3
85.02902	4.6
85.03335	0.3
85.10191	0.5
91.03961	3.1
91.05482	2.3
93.07061	2.5
95.04991	1.2
95.08598	2.2
97.02892	4.7
97.06548	0.4
97.10193	0.8
99.04419	0.6
101.02415	1.5
105.07056	1.5
107.05039	0.4
107.08616	1.0
109.02930	0.9
109.10204	1.3
111.04564	0.4
111.08107	0.4
112.72089	0.3
115.88032	0.3
117.07064	0.5
119.08621	0.9
121.10128	1.6
123.08083	0.5
123.11670	0.4
125.09685	0.5
127.03914	1.6
128.06291	0.3
129.07068	0.6
131.08578	0.7
133.10185	0.8
139.11255	0.4
147.06224	0.4
147.11705	0.9
149.09624	0.9
149.13380	0.4
157.10211	0.9
172.73402	0.3
174.02461	0.3
175.11145	0.5
185.04303	1.0
193.12352	0.8
203.05409	0.4
217.40637	0.4
229.22021	0.4
243.08365	1.7
251.12688	0.4
267.16013	1.2
269.13748	1.0
285.17126	0.9
286.17484	0.5
291.19577	0.5
313.27551	0.6
325.16318	0.5
335.26157	1.0
336.26321	1.1
347.09283	2.3
363.09634	0.4
365.10797	1.0
405.13660	4.7
425.18341	0.5
443.18909	4.2
465.83380	0.3
469.20822	1.3
487.21509	3.4
497.30746	4.3
535.25641	0.4
545.38208	1.0
546.39355	1.5
605.24139	4.4
631.25793	1.3
649.26843	5.2
649.36914	0.6
659.36206	6.1
699.43054	1.0
725.44110	0.5
743.45648	1.5
861.47766	1.7
887.49585	1.1
905.50720	100.0
906.50531	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	905.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
72.44719	0.2
86.00163	0.2
118.98702	0.3
123.66258	0.3
126.47347	0.3
152.00386	0.3
180.71913	0.3
229.69263	0.4
353.88528	0.3
905.52307	100.0
906.52515	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	906.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	0.0
68.84164	0.0
69.03432	0.2
69.62580	0.1
77.03916	0.3
79.05488	1.1
81.03415	0.1
85.02897	1.1
85.06540	1.8
91.03959	0.1
91.05471	0.1
92.08027	0.0
95.04962	1.7
97.02889	0.3
99.04467	0.1
103.03944	0.0
105.04504	0.7
106.04216	0.0
107.04945	100.0
108.05272	0.7
109.02859	0.1
119.04922	0.1
123.04445	0.1
127.03912	0.3
137.06018	0.0
144.67453	0.0
145.04968	0.6
145.08585	1.7
155.07170	0.0
163.06027	0.3
173.08173	0.0
191.09137	0.8
213.09084	2.7
262.96875	0.0
267.08600	0.1
269.10208	0.2
278.93463	0.0
289.09225	0.1
297.13306	0.7
325.11267	0.8
429.13867	0.0
872.25140	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.7
69.03429	2.9
69.07070	1.1
69.68860	1.5
71.05001	0.7
73.02914	2.4
79.05489	2.5
79.74123	0.4
81.03421	1.7
81.07056	4.2
82.07395	0.6
83.05001	0.6
83.08617	0.9
85.02898	4.9
91.03943	2.5
91.05485	2.7
92.05826	0.4
93.07031	3.3
95.04983	1.2
95.08591	3.0
97.02894	5.1
97.10194	0.6
99.04475	0.8
101.02397	1.5
105.07066	1.1
107.08596	2.3
109.02893	0.7
109.06510	0.4
109.10176	1.9
112.66650	0.4
117.07024	0.7
119.08609	1.3
121.10175	1.7
123.11765	0.5
126.93910	0.4
127.03934	0.8
131.08598	0.8
133.10146	0.8
133.28856	0.4
135.11732	1.7
145.04959	0.7
145.10144	0.8
147.11743	0.5
149.13261	1.0
163.11212	1.4
163.14931	0.4
175.14032	0.4
185.04210	0.7
190.47301	0.4
203.05305	0.7
220.31400	0.4
227.12828	0.8
243.08325	1.9
249.10973	7.0
261.22208	0.5
269.17444	0.6
279.23398	0.4
305.13675	1.0
335.25894	1.0
336.26260	1.1
347.09741	1.7
365.10825	0.7
405.13638	5.1
413.17804	0.5
461.31839	0.4
467.18945	4.0
503.37494	1.0
504.37793	1.6
513.74316	0.4
519.29199	6.3
546.38971	0.8
547.39111	1.3
548.40131	1.7
601.10413	0.4
629.23926	2.9
681.34369	7.3
691.33405	0.5
721.37549	0.8
737.36536	1.3
745.41687	1.5
907.46564	100.0
908.47015	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	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.7
69.03429	2.9
69.07070	1.1
69.68860	1.5
71.05001	0.7
73.02914	2.4
79.05489	2.5
79.74123	0.4
81.03421	1.7
81.07056	4.2
82.07395	0.6
83.05001	0.6
83.08617	0.9
85.02898	4.9
91.03943	2.5
91.05485	2.7
92.05826	0.4
93.07031	3.3
95.04983	1.2
95.08591	3.0
97.02894	5.1
97.10194	0.6
99.04475	0.8
101.02397	1.5
105.07066	1.1
107.08596	2.3
109.02893	0.7
109.06510	0.4
109.10176	1.9
112.66650	0.4
117.07024	0.7
119.08609	1.3
121.10175	1.7
123.11765	0.5
126.93910	0.4
127.03934	0.8
131.08598	0.8
133.10146	0.8
133.28856	0.4
135.11732	1.7
145.04959	0.7
145.10144	0.8
147.11743	0.5
149.13261	1.0
163.11212	1.4
163.14931	0.4
175.14032	0.4
185.04210	0.7
190.47301	0.4
203.05305	0.7
220.31400	0.4
227.12828	0.8
243.08325	1.9
249.10973	7.0
261.22208	0.5
269.17444	0.6
279.23398	0.4
305.13675	1.0
335.25894	1.0
336.26260	1.1
347.09741	1.7
365.10825	0.7
405.13638	5.1
413.17804	0.5
461.31839	0.4
467.18945	4.0
503.37494	1.0
504.37793	1.6
513.74316	0.4
519.29199	6.3
546.38971	0.8
547.39111	1.3
548.40131	1.7
601.10413	0.4
629.23926	2.9
681.34369	7.3
691.33405	0.5
721.37549	0.8
737.36536	1.3
745.41687	1.5
907.46564	100.0
908.47015	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	908.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	1.0
65.72780	0.7
67.05502	23.4
69.03429	2.8
69.07066	20.0
69.90386	0.7
71.04990	2.2
71.08629	2.3
71.45899	0.6
72.45999	0.6
73.02916	1.5
79.05483	14.9
81.03414	31.5
81.06704	0.6
81.07056	24.4
83.04990	7.3
83.08617	25.5
85.02908	17.8
85.03414	1.4
85.06540	1.5
85.10175	1.5
91.03954	5.2
91.05476	14.9
92.42722	0.6
93.07042	16.2
95.04960	15.0
95.08605	19.0
96.04497	0.7
97.02882	5.8
97.06514	4.2
97.10162	9.7
98.23486	0.8
99.08096	1.4
105.07030	10.6
107.04945	2.5
107.08587	8.9
109.06528	2.2
109.10156	7.6
111.04474	1.1
111.08084	6.4
111.11723	2.0
113.06023	1.2
115.05450	1.2
117.07005	0.9
119.08565	10.0
119.87949	0.6
121.06490	1.2
121.10151	12.1
123.08098	1.6
123.11722	2.5
125.09656	1.5
127.03915	1.7
129.06999	6.0
131.08554	5.6
133.06456	1.2
133.10130	5.5
135.11702	6.8
137.13266	0.8
142.07756	0.9
145.04977	2.1
145.10144	1.1
147.08060	1.4
147.11678	8.9
149.09616	2.8
149.13283	2.5
153.12717	1.0
157.10135	8.6
163.06047	1.6
165.12778	1.2
175.11201	8.7
193.12239	23.1
211.13271	22.7
247.24303	0.9
265.25275	2.0
267.15900	11.5
285.16956	30.3
308.55734	0.9
339.28925	57.8
359.39862	0.8
531.40411	12.8
549.41486	100.0
550.41937	2.5
823.97467	0.8
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
67.05505	3.3
69.03432	3.4
69.07075	0.7
69.67992	0.5
72.05286	0.2
73.02917	3.1
77.07010	0.2
78.36827	0.2
79.05499	2.3
81.03416	2.5
81.07060	2.9
83.04974	0.7
83.08636	0.6
85.02913	6.6
87.04500	0.4
91.03961	4.8
91.05487	1.9
93.07050	2.3
95.04974	0.7
95.08606	2.2
97.02894	5.3
97.06559	0.3
99.04467	0.9
103.03954	0.6
105.07053	1.1
107.08613	1.3
109.02886	1.3
109.10161	1.3
111.08084	0.3
113.06009	0.3
115.03976	0.6
117.07022	0.4
119.08619	1.1
121.10162	1.1
123.08090	0.3
127.03923	1.4
129.07028	0.6
131.08571	0.5
133.10193	0.7
135.11748	0.5
145.05006	0.5
145.10175	0.4
147.11699	0.4
148.79675	0.2
149.09689	0.3
157.10211	0.5
173.11853	0.3
175.11293	0.3
179.27844	0.3
185.04288	1.0
193.12317	0.4
203.05354	0.8
211.13388	0.3
226.10027	0.3
243.08366	2.0
251.12663	0.7
261.22409	0.4
283.02573	0.3
301.46368	0.3
335.25980	0.9
347.09558	2.2
365.10703	1.1
405.13638	4.7
413.17889	1.1
443.40457	0.2
469.20346	4.3
499.65576	0.3
507.33005	0.3
519.29309	6.2
549.27252	0.4
551.28717	0.3
631.25714	2.9
681.34583	6.2
721.37708	6.2
723.39490	1.3
739.38519	0.5
747.42755	1.7
909.48132	100.0
910.48340	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	910.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	4.4
67.05516	1.2
69.03439	3.4
69.49250	1.1
70.55715	1.5
75.04482	2.4
77.03967	1.5
78.04710	2.2
79.05487	3.9
81.03411	4.4
85.02905	11.0
87.00826	2.4
91.05486	9.8
93.03397	7.4
93.07047	2.9
95.04966	4.7
97.02903	3.2
97.06540	3.3
99.04421	2.7
103.05463	16.7
105.01869	1.6
105.03391	1.6
105.07057	7.1
106.04177	14.7
107.04961	10.9
109.02885	3.4
109.06479	1.6
115.05432	7.0
117.07010	5.4
118.04171	3.5
119.04939	2.6
120.05704	1.2
121.06499	17.4
123.04420	3.8
124.05206	2.0
125.06017	5.4
127.03919	4.1
127.05439	1.1
129.06920	1.2
131.04932	13.0
132.05745	1.8
133.06499	11.7
134.03610	2.8
135.04422	2.6
135.08018	1.2
137.05971	4.5
138.03133	1.6
139.07535	1.7
143.04999	2.0
144.05646	1.7
145.06450	7.0
147.04315	1.3
147.08026	2.1
148.05188	9.2
149.05980	33.2
151.03992	2.7
151.07558	2.2
153.05452	4.5
153.06998	1.5
153.09099	8.1
155.06035	2.0
156.05762	1.5
157.06491	1.7
159.08067	2.4
161.06003	12.2
163.03944	5.9
163.07529	15.7
165.05540	1.7
167.07039	56.3
171.06595	2.7
173.05974	12.0
175.07567	3.4
176.04697	1.5
177.05490	14.3
179.07007	2.9
181.04956	50.8
181.08531	15.1
187.07527	2.5
189.03979	1.4
189.05481	7.4
189.09114	2.2
190.06230	5.1
191.05281	2.7
191.07034	54.5
193.04918	1.5
193.08606	6.3
195.06563	6.6
197.05867	1.7
199.07561	1.7
201.05452	2.0
201.09044	1.7
203.07108	2.3
205.08641	10.1
207.06526	3.2
207.10091	2.7
209.08087	100.0
217.08585	4.4
219.10150	3.3
221.08037	22.8
227.07001	1.4
233.08092	8.7
235.09613	8.7
235.16933	4.1
245.08142	3.3
249.11287	1.8
253.08566	1.3
255.09833	1.4
259.09662	2.8
263.09174	21.9
265.10696	3.5
267.10214	3.2
287.09155	4.5
297.11179	1.5
305.10275	4.3
325.10754	2.7
343.11627	1.4
353.09943	1.5
357.13260	2.7
371.11090	4.6
381.13541	1.4
383.14877	2.0
385.12686	5.8
387.14612	3.0
391.10110	2.8
399.14325	4.4
409.11285	5.2
417.15424	36.3
427.11810	1.4
579.21875	1.8
597.22852	2.0
609.23120	3.7
665.20496	9.3
693.47412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	1.1
65.03944	3.7
68.99786	1.4
69.03442	3.2
70.56654	1.9
75.04484	3.2
78.04728	1.3
79.05500	4.3
79.81350	1.0
80.00008	1.0
81.03418	4.2
85.02899	10.6
87.00817	2.5
88.97406	0.9
91.05478	7.7
93.03407	8.6
93.07040	3.3
95.04984	4.5
97.02917	2.3
97.06540	1.5
99.04420	1.3
103.03990	1.3
103.05458	12.8
105.03400	1.3
105.04501	1.7
105.07028	7.9
105.34939	1.1
106.04172	13.7
107.04939	8.9
109.02876	3.8
111.04420	1.6
115.05444	6.2
117.01828	1.0
117.07008	4.9
118.04176	2.9
119.04924	1.8
121.06507	17.0
123.04397	3.2
124.05196	2.3
125.06016	6.1
127.03924	3.6
129.06972	2.0
130.68483	1.1
131.04944	13.2
131.08539	1.5
132.05743	1.6
133.06477	10.3
134.03645	2.4
135.04395	2.3
135.08096	1.7
137.05997	3.9
138.03122	1.1
138.06772	1.2
139.07539	2.0
141.06972	1.4
143.04941	1.3
144.05794	1.8
145.04984	1.0
145.06482	6.5
146.03659	1.2
147.04382	1.6
147.08070	1.7
148.05191	7.7
149.05972	27.4
151.03922	4.1
151.07504	2.7
152.04704	1.4
153.05473	4.1
153.09062	6.5
155.06061	1.8
159.08084	2.7
160.05139	1.3
161.05960	13.3
163.03920	4.2
163.07518	14.8
165.05493	2.2
167.07033	59.2
171.06543	2.7
173.05989	8.9
175.07591	4.3
176.04723	2.5
177.05463	16.4
179.07021	3.8
181.04956	50.3
181.08539	15.4
187.07536	2.0
189.05464	9.2
190.06317	2.7
191.07025	54.1
192.07443	1.2
193.05064	1.1
193.08595	6.7
195.06523	6.6
201.05463	1.8
201.09192	1.6
203.07076	3.3
203.47691	1.1
205.08588	9.4
207.06438	4.8
207.10213	1.2
209.08080	100.0
217.08546	5.5
219.10074	2.4
221.08072	23.6
225.07649	1.3
227.07048	2.4
233.08116	8.7
235.09637	8.0
235.16843	5.0
241.08720	1.3
245.08052	2.6
249.11325	1.7
252.07718	1.1
259.09650	3.3
263.09155	19.7
265.10733	2.7
267.10266	1.8
283.09827	1.5
287.09256	4.2
297.11401	1.6
305.10172	4.2
307.09683	1.2
311.09305	1.5
357.13446	3.4
371.11200	5.7
371.15356	1.2
383.15012	1.6
385.12970	5.6
387.14319	1.7
391.10138	1.4
399.14185	4.8
401.16116	2.5
409.11145	5.4
417.15396	34.5
427.12601	2.1
597.23322	1.7
609.23065	3.3
665.21228	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	914.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.6
67.05505	9.8
68.15674	0.3
69.03406	1.4
69.07069	5.5
70.93092	0.4
71.04975	1.3
71.08633	15.2
73.02895	1.0
79.05061	0.4
79.05488	6.0
81.03416	46.3
81.07053	12.6
82.03730	0.4
83.04984	2.2
83.08621	16.0
85.02902	3.3
85.06531	0.4
85.09708	0.6
85.10179	9.0
86.93798	0.3
89.06004	1.3
91.03953	3.9
91.04951	0.6
91.05479	9.2
93.07042	4.5
95.04967	13.5
95.08605	12.9
97.02883	3.4
97.06514	0.6
97.10178	3.6
99.08060	0.5
103.03939	0.4
103.05347	0.3
103.07578	1.1
103.25207	0.3
105.07030	6.3
107.04952	3.2
107.08595	2.0
109.02847	0.4
109.06464	1.2
109.09536	0.4
109.10161	5.7
111.04402	1.2
111.08084	3.6
111.11681	0.7
115.05497	0.7
117.07033	0.4
119.04857	0.4
119.07762	0.4
119.08579	6.6
121.06451	1.2
121.10168	3.2
123.04418	1.5
123.08041	0.9
123.11733	2.2
125.09567	0.5
125.13263	0.4
127.03875	1.2
129.07002	4.2
131.07811	0.4
131.08565	4.1
133.06483	1.8
133.10127	2.4
135.04379	0.4
137.05968	0.5
137.09605	0.6
137.13249	0.5
142.07768	0.9
145.04976	2.0
145.10121	0.8
147.08047	1.7
147.11674	3.9
149.05933	0.4
149.09615	3.0
157.10133	5.4
163.06021	3.8
163.11201	0.8
165.12682	0.9
165.93657	0.3
175.11188	4.8
193.12241	20.1
211.13292	1.0
221.22479	0.4
235.13338	1.4
239.23625	1.7
249.14841	1.5
257.24744	1.6
257.84000	0.4
259.13324	1.4
267.15903	100.0
268.16208	1.0
273.14865	0.8
301.14261	1.7
309.17044	3.3
313.27359	98.8
314.27704	1.6
319.15384	0.7
333.17108	0.5
379.59329	0.4
393.18811	0.6
429.21182	0.5
505.38861	86.8
506.39371	2.8
523.39825	4.0
547.39929	7.6
565.40607	1.2
589.40826	1.5
601.40814	2.9
613.41022	1.8
631.42108	2.9
649.42950	2.4
667.42877	0.5
914.52026	3.1
915.51355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.5
66.05633	0.2
68.99419	0.4
68.99786	5.7
70.40237	0.5
79.01851	2.6
95.04887	0.2
97.02892	0.5
98.22768	0.3
103.05502	0.3
105.03405	0.3
107.01318	0.6
107.04987	0.2
109.02897	0.5
111.00810	4.4
111.01528	0.2
111.04462	0.4
115.05435	0.4
119.04945	0.2
121.02869	0.4
123.04440	3.1
125.02346	1.7
127.03923	3.0
129.07008	0.4
131.04942	0.6
133.02849	1.1
135.04428	0.5
139.03899	29.9
140.04247	0.4
143.03400	3.6
143.04930	0.3
145.02852	0.4
145.06493	0.8
147.04405	2.0
149.02348	1.5
149.05933	0.5
151.02667	0.5
151.03905	10.7
153.01826	73.6
153.02884	3.5
154.02126	0.4
155.03381	0.3
155.04944	0.4
157.02832	0.5
157.06506	0.8
159.04393	0.8
161.05989	0.6
163.02626	0.4
163.03902	4.4
165.05449	0.2
167.03482	0.2
169.06467	0.6
171.02982	0.3
171.04407	2.9
173.05991	2.0
175.03912	5.1
177.01836	1.6
177.05482	2.4
179.03397	6.5
181.04959	0.8
181.06396	0.3
183.04430	0.6
185.05960	1.5
187.03900	0.6
189.05501	2.1
191.03355	1.1
191.07068	0.3
193.04942	0.8
195.04420	0.5
197.06013	1.5
199.03905	7.7
199.05772	0.4
201.05478	4.4
203.03380	9.9
204.03958	0.4
205.01402	0.3
205.04990	2.8
207.97527	0.2
211.03961	0.8
213.05450	5.5
215.03423	0.6
215.07050	0.4
217.04939	6.1
218.05635	0.3
219.06551	4.2
223.02190	1.7
223.04243	0.3
225.05435	1.2
227.03377	2.3
229.04955	2.6
231.06502	1.8
233.04433	0.7
237.05536	0.4
241.04962	4.0
243.06551	0.8
245.04463	11.4
247.02419	0.3
251.03354	0.4
253.04993	1.8
257.04443	5.3
259.06030	2.2
263.05502	4.6
265.04843	0.3
269.04431	5.0
270.05200	0.3
271.05991	3.4
273.03860	0.3
275.05423	2.5
281.04443	0.9
283.05908	0.4
285.04022	0.4
287.05496	100.0
288.05856	1.5
289.07050	3.3
295.06000	0.2
297.03891	0.7
299.05505	21.5
300.06064	0.6
301.07043	0.3
303.04889	1.8
305.06592	0.8
307.08087	0.6
311.05505	1.8
315.05032	0.4
317.06567	1.2
323.05536	0.3
331.04453	2.7
401.19809	0.2
407.07544	1.3
413.09305	0.3
425.08667	18.6
426.08777	0.2
431.07422	0.4
437.08585	0.9
439.06085	0.3
443.10233	0.3
449.08557	1.4
457.07620	0.4
459.09247	0.9
469.07297	0.4
575.11719	0.4
595.10870	1.1
619.10614	0.2
784.91364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41273	0.6
65.03944	1.4
67.01878	0.5
67.05481	0.7
68.99422	0.7
68.99788	12.5
69.03461	0.7
70.54064	0.7
79.01842	0.8
79.05525	0.7
81.03411	3.7
83.04987	1.0
85.02893	0.6
93.03410	0.7
95.04962	1.3
99.04414	0.8
105.03393	1.8
107.04939	1.0
109.02876	6.0
111.00801	13.1
111.04466	1.2
119.04903	1.2
121.02866	2.4
123.03520	0.9
123.04422	18.3
125.02347	0.5
127.03911	94.5
128.04265	0.7
131.04890	1.2
133.02843	5.0
135.04411	3.1
136.18913	0.4
137.02338	1.1
139.03896	100.0
140.04193	1.2
143.03394	0.8
143.04878	0.7
145.02815	0.7
145.06496	1.0
147.04395	8.6
149.02328	4.2
149.05969	1.2
151.03897	46.3
153.01825	14.5
153.02968	0.8
153.05473	1.8
155.03384	6.5
155.04698	0.8
157.02905	1.0
157.06448	1.5
159.04442	2.4
161.02350	1.4
161.05988	2.8
163.03897	11.6
165.05542	2.8
167.03413	2.0
167.04753	0.6
169.04948	3.3
169.06323	1.1
171.04390	3.4
173.05986	1.5
175.03903	15.7
177.01871	0.8
177.05473	10.0
179.03384	59.2
180.03754	0.7
181.04955	4.0
183.04416	1.6
185.02364	0.5
185.05948	3.4
187.03883	1.6
189.01846	0.7
189.05478	6.2
191.03391	10.1
193.04962	3.5
195.06584	0.9
197.06018	0.9
199.03909	6.8
201.05467	5.0
203.03386	26.6
205.01253	0.7
205.04944	2.9
209.06007	0.7
211.03897	0.6
213.05469	7.5
214.35056	0.5
215.03397	2.3
217.04926	9.2
217.06793	0.6
219.02850	1.0
219.06526	2.3
221.04468	1.0
223.02394	2.5
225.05525	1.8
227.03375	1.7
229.04935	5.6
231.02893	0.8
231.06473	4.6
233.04442	5.6
235.05969	0.9
237.05557	0.9
239.03374	1.0
241.05005	5.1
243.06593	0.8
245.04448	73.3
247.06038	2.3
251.05615	1.0
253.04980	2.4
257.04446	18.6
257.07220	1.0
258.05099	1.1
259.05963	5.1
263.05493	47.7
267.06488	0.6
269.04428	6.6
271.05984	4.5
273.03879	1.0
275.05460	19.4
277.07016	2.6
279.06537	0.7
281.04434	2.6
283.06042	1.1
285.03952	1.1
287.05490	78.8
288.05829	2.2
289.07071	3.1
293.04379	1.0
295.06009	1.4
297.03961	1.8
299.05499	21.9
301.07202	1.0
303.05295	0.8
305.06546	26.6
307.08176	22.3
308.08627	0.5
309.03821	1.5
311.05356	2.9
313.06955	0.7
317.06543	20.0
318.07059	0.7
319.08517	0.6
321.07538	1.3
323.05527	1.4
325.07574	0.6
329.06522	2.0
331.05331	0.7
339.04947	1.3
347.07755	1.2
349.06461	1.0
351.05029	2.1
354.56165	0.6
361.06937	0.6
362.32541	0.6
377.06509	1.4
381.05984	1.0
389.06613	0.7
393.06174	2.7
395.07559	1.8
399.07098	1.2
405.06094	5.5
407.07474	2.3
413.08640	5.5
417.05997	1.1
423.07104	17.5
424.07678	0.6
425.08664	21.9
426.08966	0.8
435.07199	4.3
437.08444	2.2
441.08154	9.1
443.09747	28.0
444.10757	0.9
447.06860	1.4
449.08511	1.3
453.08011	2.8
455.09637	1.1
465.08017	2.3
467.09579	3.3
483.09048	1.0
485.10623	1.4
543.09216	1.9
549.10382	2.4
561.10364	2.8
567.10663	1.7
573.10358	2.2
591.11310	1.2
603.11188	1.1
609.13098	0.7
611.13568	2.7
621.12268	1.1
660.01721	0.6
711.13208	0.8
729.14081	2.7
747.14905	2.9
755.31189	0.6
771.15344	0.6
897.35583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.1
67.05499	1.0
68.99789	10.2
69.40241	0.5
70.01327	1.0
70.01690	1.0
77.76192	0.4
80.78393	0.5
81.03410	4.6
83.04971	1.1
85.02893	0.7
91.05458	0.7
95.04973	2.1
99.04446	0.6
105.03391	1.9
107.04924	1.5
109.02878	9.8
111.00797	11.2
111.01505	0.8
111.04434	1.5
115.05481	0.9
117.06998	0.5
119.04935	1.2
121.02863	2.8
123.04437	18.0
125.02329	0.5
127.03915	78.0
128.04347	0.5
131.04939	0.8
133.02864	5.9
135.04431	2.7
136.60213	0.6
137.02356	1.3
137.05975	0.5
139.03900	100.0
140.04265	0.9
141.01814	0.6
145.06474	1.0
147.04416	7.7
149.02350	6.3
149.05913	0.7
150.03090	1.0
151.03905	58.0
152.04271	0.6
153.01823	7.7
153.05473	1.6
155.03401	14.3
155.04724	0.5
157.02779	0.5
157.06468	0.9
159.04413	1.6
161.02339	1.7
161.06042	3.0
161.07152	0.5
163.03909	11.2
165.05449	2.5
167.03398	3.2
167.04764	0.8
169.05006	2.3
169.06291	0.5
169.53256	0.5
171.04362	2.7
173.02426	0.7
173.06042	2.3
175.03911	14.6
177.01901	0.7
177.05476	9.3
179.03392	61.0
181.04927	2.5
183.04312	0.8
185.05980	2.3
185.58357	0.4
187.03922	1.5
189.05490	6.3
189.07097	0.7
191.03392	9.9
193.04959	4.1
197.06009	1.9
199.03891	7.2
201.05518	5.1
203.03386	24.2
205.04942	2.5
211.03882	1.5
213.05484	7.7
215.03418	1.9
217.04976	6.9
219.02930	1.0
219.06459	1.9
221.04424	2.1
223.02345	3.3
225.05489	1.4
227.03343	2.0
229.04980	7.4
231.06453	4.4
233.04439	3.9
235.06029	0.9
237.05461	0.7
241.04950	5.9
245.04462	84.0
246.04803	1.4
247.02443	0.7
247.05988	1.6
251.05605	0.5
253.04910	1.6
257.04449	21.2
257.07187	1.0
258.05078	1.1
259.06009	5.2
263.05502	45.2
265.05029	0.7
269.04437	7.2
270.05042	0.6
271.06000	3.4
273.04208	0.9
274.04758	0.7
275.05484	24.6
277.07095	6.7
281.04413	2.9
283.05997	1.4
285.03934	1.2
287.05493	72.2
288.05801	1.2
289.06982	2.4
293.04391	1.3
295.05862	1.3
297.03937	1.9
299.05499	17.1
301.07150	1.4
303.06326	1.0
305.06555	42.7
307.08179	15.6
309.03879	1.7
311.05469	2.4
313.07059	0.9
317.06558	23.7
319.08420	0.7
321.04169	0.8
321.07700	1.7
323.05566	1.8
325.07071	0.8
327.04794	0.7
329.06381	2.7
331.05688	1.1
333.07672	0.5
335.05682	0.6
339.04913	1.8
347.07556	1.7
349.06821	1.3
351.04974	2.0
357.05389	0.6
361.07101	0.6
365.06561	1.0
375.04855	0.6
377.06290	1.8
381.05981	1.1
387.05280	0.8
389.06360	0.7
393.05981	3.8
395.07562	2.2
399.07086	1.7
405.06070	6.2
407.07590	1.9
411.06937	1.3
413.08707	6.6
417.06006	1.5
423.07123	23.0
425.08646	20.3
431.09686	0.9
435.07211	3.5
437.08801	1.9
441.08176	15.2
443.09741	41.4
444.09912	0.8
447.06967	1.5
449.08627	1.0
453.08215	4.9
455.09604	1.7
465.08249	5.2
467.09744	3.3
483.09180	3.9
485.10660	2.2
543.09058	2.1
549.10016	1.8
561.10382	4.3
567.11285	4.4
573.09900	2.1
579.11462	0.7
585.10059	0.6
591.11780	2.3
593.12640	0.6
603.11328	0.7
609.12061	2.7
611.13794	4.7
621.12695	0.8
711.13098	0.8
729.14740	2.8
747.15540	3.5
910.21039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.198
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.8
66.39069	0.6
67.01859	0.5
67.05492	1.1
68.99788	10.5
70.35491	1.0
77.03904	0.6
79.05482	0.8
81.03413	5.9
83.04980	0.9
83.22912	0.5
85.02893	0.7
91.05495	0.9
93.03388	1.0
95.04958	2.1
97.02901	0.7
99.04434	1.2
105.03394	1.8
107.04974	0.7
108.71897	0.5
109.02176	0.9
109.02871	12.9
111.00086	0.9
111.00803	10.0
111.04443	2.0
119.04964	0.9
120.07227	0.5
121.02855	2.4
123.04423	18.5
125.02294	0.6
127.03909	88.1
128.04222	0.7
129.07024	0.5
131.04842	0.8
133.02835	6.0
135.04425	3.1
137.02342	0.8
138.06482	0.5
138.89450	0.6
139.03894	100.0
141.07013	0.8
145.06476	1.5
147.04390	6.1
149.02328	5.4
149.05977	0.7
150.03119	1.4
151.03899	67.6
152.04341	0.6
153.01826	7.1
153.05412	1.2
155.03384	19.7
155.04639	0.8
157.06497	1.4
159.04404	2.1
161.02324	1.1
161.05966	2.1
163.03908	10.3
165.05484	3.1
167.03442	2.6
167.04713	0.6
169.04958	2.3
169.06339	0.8
171.04401	3.0
173.05940	2.0
175.03888	14.0
177.01794	0.6
177.05460	7.6
177.09247	0.5
179.03380	48.7
180.03674	0.8
181.04964	3.3
181.06339	0.6
183.04309	0.7
185.05965	2.1
187.03877	1.5
189.05447	4.5
191.03392	6.8
193.04932	3.3
197.05966	1.1
199.03902	5.5
201.05473	4.7
203.03380	20.6
203.05296	1.0
205.04930	1.7
211.03899	0.6
213.05447	8.4
215.03285	1.2
217.04924	7.8
219.06494	2.5
221.04543	1.1
223.02347	2.1
223.05957	0.9
225.05443	1.1
227.03363	1.6
229.04971	5.6
231.02919	0.7
231.06482	3.1
233.04451	4.7
235.05966	0.9
241.04956	5.4
243.06453	1.2
245.04448	51.9
246.04689	1.0
247.06021	3.1
251.05473	1.0
253.04881	1.5
257.04437	18.7
258.05057	0.9
259.06027	5.7
263.05484	36.9
269.04419	6.5
271.05997	5.4
273.03998	0.8
275.05466	17.4
277.07074	9.2
281.04404	2.2
283.05997	0.8
285.03958	1.1
287.05478	68.5
288.05759	0.9
289.07095	2.7
295.05896	1.2
297.03824	1.1
299.05481	20.5
301.07260	0.7
305.06552	41.6
307.08139	25.1
307.11743	0.8
309.03839	1.4
311.05399	1.8
317.06540	17.2
321.03873	0.7
321.07434	1.0
323.05533	0.7
329.06717	1.2
337.06906	0.6
347.07632	0.7
349.06723	0.7
351.04761	1.4
363.05014	1.0
377.06332	1.2
381.05945	0.8
389.06647	0.7
393.06027	3.0
395.07410	0.8
399.07300	0.7
403.86041	0.6
405.06024	3.8
407.07523	2.4
413.08749	2.4
417.06113	1.1
423.07144	8.1
425.08676	22.2
426.08792	0.7
435.07275	2.4
437.08444	1.8
441.08194	8.9
442.08301	0.6
443.09729	28.5
447.07037	0.7
449.08609	1.2
453.07977	2.2
455.09601	0.8
465.08066	1.8
467.09775	3.3
483.09061	0.9
485.10678	1.8
543.09198	1.7
549.10480	1.0
561.10272	2.9
567.10919	1.6
573.10065	1.4
591.11060	1.1
603.10931	0.8
609.12439	1.2
611.14117	4.9
621.11621	0.7
729.14008	2.3
747.15308	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	916.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.8
67.05224	0.4
67.05512	6.3
68.99796	3.7
69.03427	26.0
69.07066	5.0
69.64426	1.4
69.64822	1.1
71.01344	0.7
71.04987	3.6
71.08621	1.4
73.02917	4.6
73.03320	0.6
79.05489	3.8
81.03410	23.0
81.03896	1.1
81.07054	9.6
83.01315	1.2
83.05000	1.0
83.08613	2.0
85.02901	68.2
87.00824	26.7
87.04476	1.0
91.03950	2.0
91.05470	3.4
93.03401	0.9
93.07081	2.6
95.01293	0.8
95.04980	2.7
95.08597	7.3
97.02888	29.2
99.04452	9.6
101.02390	1.0
103.03922	1.8
105.01864	29.6
105.07012	2.4
107.04955	2.3
107.08579	1.7
108.04430	0.8
109.02872	24.4
109.06502	1.3
109.10132	1.9
111.04439	5.0
115.03886	1.5
115.05422	0.9
117.01842	2.7
117.07007	1.4
119.04923	1.1
119.08578	2.0
121.02864	0.8
121.06494	1.7
121.10134	2.1
123.04420	10.7
123.07999	0.5
123.11643	0.9
125.02347	0.6
127.03909	40.5
129.01834	3.3
129.07004	1.6
131.04901	1.0
131.08536	1.7
133.06477	3.1
133.10155	1.5
135.04408	4.4
135.08028	1.0
135.11694	2.2
137.05965	2.7
137.13222	0.7
139.03894	38.4
140.04144	0.6
141.06981	0.5
145.04950	17.6
145.06459	1.8
145.10115	0.9
147.03029	1.0
147.04401	8.7
147.08070	2.6
147.11685	1.9
149.02362	0.8
149.05971	3.3
151.03906	5.0
151.07579	0.6
153.05472	3.4
155.03360	2.9
157.06505	1.1
157.10078	1.1
159.02901	8.2
159.04268	0.8
159.08041	1.3
159.11600	0.9
161.02322	2.0
161.05978	8.6
161.09625	0.8
161.13257	0.9
163.03894	100.0
163.07425	3.9
164.04253	0.9
165.01851	0.6
165.05464	9.5
165.12747	0.9
167.03416	1.9
167.07043	1.4
169.04942	0.8
169.10143	0.6
171.02959	0.9
171.04417	2.1
171.08060	1.5
173.06012	4.1
173.09631	0.7
175.03909	2.0
175.07558	4.1
177.03973	0.9
177.05458	9.9
177.09035	1.4
179.03381	20.6
179.06990	8.2
180.08690	1.8
181.04939	0.9
185.05980	4.3
185.09610	0.9
187.03947	1.0
187.07497	4.0
187.11066	0.6
187.14755	1.3
189.01884	2.2
189.03897	3.5
189.05457	12.8
189.09088	1.8
191.03378	2.3
191.07027	3.8
193.04962	3.0
193.08647	1.6
199.04034	1.0
199.07584	2.0
199.14757	0.8
201.05496	3.5
201.09102	1.1
203.03392	1.7
203.07001	9.5
203.10632	0.9
205.04944	18.8
205.06824	1.2
205.08487	0.8
213.03775	3.9
213.05544	1.7
213.09152	1.3
215.07013	1.9
217.04935	4.7
217.08542	1.9
217.15894	1.8
219.06508	1.7
219.10104	0.6
221.04416	5.7
227.03386	0.8
227.06987	1.4
227.10669	1.1
227.14285	1.5
229.04956	8.7
229.08603	1.0
231.04851	13.6
231.10051	1.0
233.04292	0.8
233.15463	0.9
235.05774	0.6
235.16949	1.8
241.05026	0.6
241.08627	0.7
241.15854	1.1
243.06711	0.6
245.04443	5.8
245.08113	2.1
245.15320	5.2
247.06093	3.5
248.07855	0.8
249.06038	6.5
251.14166	0.7
253.07079	1.0
255.06505	0.8
255.13869	0.7
259.09625	0.7
259.17093	2.9
263.05490	1.4
263.16409	4.6
265.14340	1.0
269.08121	0.7
269.15363	5.3
269.71521	0.6
271.08054	1.3
271.16888	0.7
273.14850	1.8
283.17059	1.1
287.16431	6.3
291.15833	16.6
297.14792	1.2
297.18405	0.8
301.17993	1.6
305.17471	0.9
307.15561	0.7
309.16931	34.1
311.16455	2.6
315.07111	0.9
315.15848	8.9
325.11417	1.5
325.17838	1.8
327.18036	5.1
329.17474	6.2
331.15451	0.9
333.16931	93.5
334.17200	0.8
335.16446	0.7
337.16489	1.1
339.15878	2.0
343.19009	2.2
349.16309	1.3
351.17990	40.9
353.17477	4.7
357.16904	11.0
371.18484	7.2
373.16028	0.6
375.18002	28.9
381.16934	11.8
387.17996	1.1
389.19540	2.2
393.10370	1.6
393.19040	30.0
399.18002	37.9
400.18533	1.0
417.19049	38.3
435.20148	17.3
441.19370	1.0
453.21161	2.0
459.19946	1.3
467.17212	0.6
483.20505	0.7
485.17816	5.4
503.19110	12.3
521.20184	19.8
539.21252	12.9
545.19434	0.7
557.22540	2.6
563.21063	0.7
581.22791	0.7
739.37866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.2
67.05502	42.3
69.03426	2.8
69.07069	8.1
71.01332	1.3
71.04971	1.7
71.08630	18.2
73.02914	3.0
75.04458	0.4
79.05056	0.7
79.05486	10.2
81.03407	3.9
81.07052	20.0
83.04969	3.0
83.08134	0.5
83.08617	14.9
85.02902	17.2
85.06537	2.2
85.10175	10.2
87.04475	3.7
89.05986	1.2
91.03445	0.6
91.03948	5.5
91.05471	3.7
93.07037	3.7
95.04935	1.6
95.08600	19.0
97.02882	6.6
97.06515	0.9
97.10166	16.6
98.22599	0.9
99.04429	0.9
99.08121	0.5
103.03938	1.0
103.07506	1.0
105.07000	1.3
107.04928	1.3
107.07917	0.6
107.08580	5.8
109.02872	0.6
109.06512	0.6
109.10151	34.8
109.62438	0.4
111.04421	0.7
111.08070	1.1
111.11702	0.7
117.06989	1.1
117.09098	0.6
119.08576	2.9
121.10115	1.7
123.08053	0.5
123.11705	2.6
125.09631	13.0
127.03895	2.5
127.11146	0.4
131.08548	1.1
133.10069	1.0
135.07996	0.5
135.11647	1.4
137.09610	1.8
137.13226	1.0
143.10654	3.2
145.04941	2.7
145.10115	1.4
147.08006	0.4
153.12737	0.9
155.10625	2.5
163.05989	2.4
163.11159	2.8
173.11725	9.6
177.54305	0.4
181.12180	0.9
191.10648	1.4
193.12311	0.9
199.13292	10.1
209.11678	3.4
217.14307	1.1
221.22462	0.4
227.12764	5.2
229.14337	51.7
230.14726	0.7
232.17784	0.4
239.23669	4.4
245.13916	0.6
257.13867	1.2
257.24725	1.4
265.14539	0.8
267.15826	2.4
283.15375	4.8
299.14932	0.7
300.15402	0.5
301.16449	25.9
313.27344	100.0
314.27695	1.8
319.17300	1.1
341.26904	1.8
437.36246	6.5
455.37329	13.8
463.21783	1.0
467.37317	33.9
468.37604	0.5
503.37622	0.7
505.38873	1.2
521.38373	3.0
538.38666	0.5
539.39343	15.3
557.40479	2.4
701.44342	1.5
917.50531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	41.4
68.70988	1.1
69.03436	2.4
69.07059	10.1
69.13844	6.0
70.67622	1.1
71.01357	1.4
71.04993	2.0
71.08637	17.7
73.02907	2.4
75.45000	1.2
79.05491	12.9
81.03433	6.1
81.07058	19.9
82.50282	1.1
83.05009	3.1
83.08618	16.6
85.02905	20.3
85.06555	2.2
85.10185	12.3
87.04485	3.5
89.06065	1.0
91.03953	6.5
91.05465	6.2
93.07030	6.4
95.04964	2.2
95.08614	22.2
97.02893	6.4
97.06524	1.7
97.10165	21.3
105.07031	3.1
107.04967	1.9
107.08586	8.8
109.02891	1.3
109.10155	32.4
111.04430	1.9
111.08060	1.7
119.08611	2.3
121.10173	2.4
123.08083	1.9
123.11746	2.4
125.09634	15.6
127.03923	2.6
133.10152	1.5
135.11723	2.7
137.09634	1.7
143.10680	3.0
145.04987	2.7
145.10147	1.7
146.21819	1.2
153.12775	1.6
155.10666	2.2
163.06068	2.3
163.11238	3.1
173.09576	1.6
173.11716	6.5
176.45737	1.0
177.36340	1.2
181.12306	1.7
191.10689	2.7
191.62514	1.4
193.36630	1.1
199.13321	10.9
199.35437	1.2
209.11720	6.0
227.12782	9.9
229.14343	44.9
239.23729	3.4
250.55086	1.2
257.24734	1.7
265.69943	1.1
267.15814	1.9
283.15344	6.7
297.16959	1.4
301.16470	36.6
313.27371	100.0
314.27673	3.2
319.17520	1.2
335.25735	1.2
341.26968	2.4
362.18607	1.1
404.07074	1.1
423.77045	1.5
437.36203	7.5
455.37332	16.3
463.21835	1.5
467.37335	29.6
521.38336	5.0
539.39398	21.0
557.40350	5.6
585.92474	1.3
916.47742	2.4
917.49554	1.5
926.97894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	1.1
67.05503	13.2
67.05823	0.7
69.03425	2.5
69.07066	3.1
69.07373	0.8
69.26316	2.3
71.01320	0.4
71.04988	2.4
79.05495	12.7
81.03413	34.6
81.03864	1.5
81.07053	12.5
83.04987	3.3
83.08617	12.6
85.02850	1.6
85.06497	1.3
86.06002	0.4
91.03894	0.8
91.05476	11.3
93.07038	11.1
95.04967	16.5
95.08603	6.3
97.02819	1.6
97.06517	2.7
97.10169	12.4
97.10750	0.5
98.44108	0.5
99.08080	0.5
105.07025	10.1
107.04947	9.7
107.08591	8.0
109.02837	0.4
109.06511	6.6
109.10163	4.5
111.04357	1.0
111.08075	4.1
113.05920	0.8
115.05416	0.7
116.06208	0.5
117.07014	3.2
119.08570	8.6
121.06507	8.5
121.10144	5.7
123.04359	1.5
123.08063	4.0
123.11604	0.7
125.05939	0.8
125.09620	10.7
129.07002	6.4
131.04839	1.7
131.08568	8.1
133.06491	3.6
133.10123	3.9
135.04434	0.6
135.07207	0.4
135.08047	4.8
135.11647	1.6
137.05913	0.8
137.09567	0.7
141.06902	0.8
142.07687	1.3
143.08533	2.4
145.06473	5.1
145.10095	3.1
147.04364	1.0
147.08026	4.3
147.11687	5.7
149.05830	0.6
149.09593	3.6
153.09137	2.4
153.12662	0.7
155.08501	1.1
157.06419	1.3
157.10109	5.9
159.08009	1.6
159.11610	1.5
161.05928	0.9
161.09518	1.8
163.05969	1.1
163.07449	0.7
163.11200	3.2
165.12698	0.9
167.08533	0.9
167.10646	1.0
169.10033	1.2
171.07945	1.9
171.10066	1.1
171.11546	1.2
173.09547	1.2
173.13161	1.1
175.07567	0.6
175.11168	5.5
177.12680	1.1
179.08395	0.6
181.10078	0.9
183.08022	1.0
183.11598	0.7
183.62990	0.5
185.09683	0.8
185.13234	0.9
187.11131	1.4
187.14743	0.9
189.09341	0.8
189.11133	5.9
189.12733	1.2
191.10532	0.6
191.14206	0.8
193.10516	0.9
193.12239	14.9
195.11601	1.0
197.09665	1.1
197.13133	1.4
199.11075	1.9
199.13171	0.9
199.43199	0.4
201.12656	0.6
205.12151	1.2
209.13188	0.5
211.13219	1.1
213.12724	1.5
215.14250	1.3
217.12160	1.4
219.13855	2.3
223.11171	0.9
223.13220	1.2
225.12660	1.0
225.14735	0.6
227.12662	2.0
227.14545	1.0
231.13780	1.5
233.15346	4.3
235.11134	0.6
235.13252	1.6
237.12659	1.7
237.14827	0.8
239.14328	0.7
241.14259	1.0
245.15504	0.9
249.14677	1.2
251.14297	0.5
255.13756	2.0
257.15204	0.9
259.13208	1.7
267.15900	43.1
271.17062	0.8
273.14764	5.8
273.17221	0.8
275.16321	0.6
281.15485	0.6
287.16321	0.7
289.14282	0.6
291.15726	0.7
293.17386	1.3
299.16241	0.6
309.16794	1.0
321.21997	0.6
331.20270	0.5
339.23227	2.9
349.21722	3.7
357.24265	2.1
367.22653	10.7
372.14752	0.5
381.83438	0.4
385.23734	19.7
403.24887	5.5
423.25275	0.8
434.65790	0.5
441.26324	10.4
459.27399	100.0
460.27850	1.2
477.28461	99.0
478.28967	1.7
491.30060	13.5
501.28360	6.0
509.31213	5.5
513.28613	2.6
519.29425	1.2
531.29449	1.8
533.31165	0.9
541.34070	0.9
543.29492	2.4
555.29773	0.9
567.29443	5.3
573.30432	1.0
585.30347	1.9
603.31586	1.4
621.32837	0.8
706.42670	0.7
868.26709	0.5
868.45667	0.7
936.70618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.1
81.07052	0.6
85.02902	0.1
98.36117	0.1
137.13235	0.1
151.71741	0.1
179.48785	0.1
215.02632	0.1
215.05276	0.1
245.06335	0.1
275.07245	0.6
289.50967	0.1
335.09454	2.5
339.17673	0.7
373.15353	0.1
469.21426	0.1
470.21252	0.1
470.71243	0.3
471.21985	100.0
472.22375	1.6
487.18005	0.1
731.07764	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	919.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.7
68.05243	0.2
69.03432	1.9
69.07078	0.3
71.05017	0.7
71.08634	0.5
73.02925	1.8
79.05506	0.6
81.03419	1.5
81.07040	0.9
83.04982	0.3
83.08619	0.4
85.02905	3.0
85.10210	0.3
87.04475	0.2
91.03961	1.7
91.05500	0.6
93.07081	0.5
95.04974	0.5
95.08613	0.7
97.02901	2.9
97.10204	0.2
98.22662	0.6
99.04459	0.5
101.02372	1.1
103.03960	0.3
105.07054	0.6
109.02901	0.5
109.10212	0.3
110.54858	0.2
119.08620	0.4
121.10241	0.5
127.03965	0.9
131.08563	0.5
133.10138	0.3
137.08681	0.2
145.05020	0.3
147.11688	0.4
149.09641	0.7
157.10190	0.6
175.11227	0.3
185.04329	0.5
193.12372	0.6
203.05307	0.5
243.08447	1.3
267.16028	0.4
283.15106	1.3
313.27347	0.5
339.17795	0.4
347.09436	1.8
363.09219	0.3
365.10739	0.7
405.13696	3.8
425.80798	0.2
469.20630	0.3
497.30731	3.3
501.23007	6.6
502.22952	0.2
547.70789	0.2
659.36029	4.0
663.28345	7.2
757.47003	2.2
919.52301	100.0
920.52820	4.3
926.31018	0.2
948.20398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.8
67.05504	49.5
69.03422	1.9
69.06706	0.7
69.07064	9.2
69.33847	1.7
71.04993	14.5
73.02917	3.2
77.03908	0.6
79.05490	24.5
81.03413	1.8
81.07055	71.0
82.07404	0.5
83.04983	3.1
83.08613	6.1
85.02907	8.3
85.06541	6.4
91.03965	4.3
91.05477	22.5
93.07043	29.1
95.04967	4.3
95.08603	23.3
96.04523	0.5
97.02895	4.5
97.06519	3.2
97.10155	2.0
97.41680	0.4
99.04451	0.7
99.08087	0.8
105.04507	1.6
105.07030	12.1
107.04903	0.6
107.08591	19.4
109.06512	1.2
109.10152	10.5
111.08096	1.9
117.07004	4.2
119.08574	7.7
119.39603	0.5
121.10144	14.9
123.08053	1.1
123.11705	11.5
125.09641	1.1
127.03940	1.7
129.06993	0.6
131.08569	7.6
133.10124	15.7
133.74789	0.4
135.08076	0.5
135.11702	9.9
137.09596	0.5
138.61264	0.4
139.11237	0.5
141.66768	0.4
143.08568	0.8
145.04985	2.0
145.10136	3.3
147.11678	3.4
149.09622	0.6
149.13251	5.4
149.83269	0.4
151.11174	6.6
153.12819	0.6
157.10118	0.8
159.11676	5.2
161.13249	2.9
163.06017	2.2
163.14828	0.9
163.25948	0.4
169.12277	0.9
171.11731	0.9
173.04369	0.7
173.13252	2.6
175.14767	0.9
177.12738	1.3
183.11887	0.4
183.13786	2.2
185.13261	0.6
187.13300	3.0
187.14886	1.2
195.13815	1.5
199.14836	0.5
201.16455	0.8
222.09238	0.5
227.16461	1.6
229.14250	0.6
243.15956	1.3
243.21169	0.6
257.17511	1.3
259.20682	0.7
261.22131	1.9
267.16003	0.6
269.17450	4.5
299.18622	0.4
301.20078	9.4
317.24741	1.1
335.25778	21.2
411.32645	0.8
437.34317	0.7
475.35287	0.5
485.29730	0.5
485.36240	2.6
503.37305	63.9
504.37711	1.2
517.38751	2.3
529.38855	17.0
531.39966	0.5
543.40161	0.7
547.40198	0.9
561.41486	100.0
562.41962	2.8
589.60156	0.5
599.37573	0.5
691.43567	0.5
705.45782	2.0
831.47107	1.1
920.48840	0.9
927.30176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.7
66.02269	0.4
67.05505	55.1
69.03433	3.0
69.07070	11.6
71.04995	20.3
73.02916	3.1
73.06564	0.9
75.88492	0.4
77.03916	0.7
79.05492	33.0
81.03446	2.1
81.07055	85.8
81.09841	0.5
82.07403	0.5
83.04982	4.1
83.08619	7.4
85.02901	11.2
85.06541	7.4
87.04469	1.0
91.03958	7.0
91.05039	0.7
91.05479	28.6
93.07044	37.2
95.04970	5.3
95.08607	24.5
96.04443	0.7
97.02884	6.0
97.06521	5.2
97.10171	2.6
99.04453	0.8
99.08104	1.4
103.03931	0.4
105.04517	1.0
105.07034	17.0
107.08591	20.5
109.02871	1.0
109.06525	2.3
109.10152	13.5
111.04399	0.4
111.08096	1.7
113.09657	0.6
115.03923	0.5
115.05437	0.5
117.07018	5.8
119.08576	9.5
121.10143	17.3
123.08064	0.8
123.11709	14.7
125.09620	1.5
127.03907	3.0
127.07596	0.5
129.07021	0.8
131.08569	8.7
133.10127	20.2
135.08046	1.1
135.11693	9.2
137.09698	0.7
137.13248	0.8
139.11177	0.9
143.08624	0.6
145.04993	3.1
145.10117	4.5
147.11679	5.3
149.09637	0.8
149.13263	7.0
151.11172	7.9
153.12750	1.7
155.08534	0.5
157.10115	1.4
159.11696	7.4
161.13252	4.4
162.55490	0.4
163.06021	3.2
163.11205	0.5
163.14888	0.8
165.12732	0.8
169.10107	0.5
169.12256	1.1
171.11667	1.7
173.11923	0.8
173.13251	3.4
175.14844	1.1
177.12775	1.8
179.14359	0.8
183.11667	0.6
183.13863	2.6
185.13286	1.6
187.13281	4.2
187.14854	1.3
195.13924	1.1
199.14766	0.6
201.16415	1.2
227.16440	2.7
229.14359	1.4
243.15881	1.0
243.21082	0.8
253.17831	0.8
257.17453	2.7
259.20801	0.9
261.22116	3.1
267.15762	0.5
269.17459	6.3
301.16867	0.7
301.20074	19.9
317.24689	0.8
329.24872	0.6
332.09033	0.5
333.24304	0.9
335.25797	17.5
336.26218	0.6
363.25259	0.8
393.31586	1.0
411.32529	1.7
429.33929	0.8
437.34232	1.9
445.24188	1.2
455.34930	0.6
467.35101	0.6
475.34177	0.6
485.36264	5.0
493.36942	0.7
503.37305	77.4
504.37708	1.6
511.37894	1.7
517.38989	2.3
529.38898	29.5
530.39136	1.3
535.40088	0.5
547.39734	1.7
561.41492	100.0
562.41760	2.3
637.75812	0.5
673.42767	0.8
705.45300	1.7
920.50336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05335	2.4
67.05742	1.4
69.03259	1.3
69.03668	0.7
69.06956	0.4
71.04876	0.4
71.08502	0.6
71.08858	0.4
73.02744	1.8
73.03185	0.6
79.05322	1.1
81.03222	1.0
81.06870	1.8
81.07385	0.8
82.07228	0.3
83.04824	0.4
83.08464	0.7
83.08892	0.4
85.02708	3.4
85.03271	1.1
85.06413	0.4
85.10046	0.4
91.03752	2.1
91.04366	0.4
91.05319	0.6
91.05865	0.6
92.49631	0.5
93.06859	0.7
95.04780	0.7
95.08395	1.6
97.02674	3.6
97.03366	1.0
98.23499	0.8
99.04281	0.7
101.02197	0.6
101.02784	0.5
105.06832	0.4
107.08426	0.7
109.02695	0.7
109.03368	0.4
109.09924	3.0
111.07904	0.4
115.03768	0.4
119.08383	0.8
119.09127	0.3
121.09953	0.5
127.03661	1.4
135.11481	0.5
155.10443	0.5
173.11432	1.4
173.12830	0.5
185.04056	0.9
203.04990	0.7
217.06873	0.3
229.14366	1.6
243.08096	1.5
313.27216	0.7
337.27264	0.4
347.09366	2.5
363.08774	0.4
365.10278	0.7
405.13641	3.9
413.12625	0.5
413.17828	8.5
497.30652	5.1
504.37155	0.6
507.36899	0.4
561.40710	0.4
562.41614	0.6
575.23022	10.8
575.32080	0.6
576.23328	0.6
659.26166	0.6
659.36084	6.6
669.41974	3.1
715.15216	0.5
831.47034	100.0
832.47211	3.2
903.49640	0.8
921.48956	25.6
922.47809	1.0
928.01727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.7
69.03431	2.8
69.07065	0.6
69.77563	1.0
69.77959	0.9
70.03001	0.4
71.01338	0.5
71.05013	1.0
73.02917	3.9
73.88364	0.5
79.05507	1.8
81.03426	4.4
81.07050	2.5
83.04974	0.6
83.08624	0.7
85.02908	5.4
91.03973	2.2
91.05482	2.7
93.07063	1.8
93.92051	0.6
95.04977	1.6
95.08631	1.5
97.02891	3.9
97.19270	0.5
97.58115	0.4
99.04475	1.0
101.02386	1.5
105.07048	1.8
107.04984	0.6
107.08588	0.6
109.02933	0.7
119.08622	1.6
121.10190	1.7
127.03910	2.3
128.47551	0.5
129.07030	1.1
131.08524	1.0
133.10197	1.1
133.39008	0.6
135.11760	0.5
147.11720	1.2
149.09590	2.4
157.10208	1.1
170.11775	0.6
175.11230	1.1
180.81473	0.5
185.04224	0.8
193.12326	1.5
197.15514	0.5
203.05258	0.9
211.13321	0.6
225.14983	0.8
243.08441	1.8
247.16095	0.6
267.16022	1.5
269.12360	0.7
283.15219	4.4
339.18039	1.9
347.09628	2.0
365.10907	0.9
373.15518	0.5
405.13611	5.3
405.17984	0.5
501.23093	16.8
663.28320	22.6
682.69312	0.6
761.39154	3.5
923.44513	100.0
924.45062	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	925.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
67.05506	3.1
69.03433	2.9
69.07091	1.0
71.01360	0.5
71.04998	1.8
73.02912	3.3
79.05506	2.1
81.03420	1.5
81.07055	3.5
83.08628	0.6
85.02903	5.6
85.06531	0.4
89.44229	0.3
91.03965	3.1
91.05474	1.5
93.07048	2.1
95.08607	1.8
97.02898	4.1
97.06510	0.3
97.10152	0.3
99.04486	0.6
101.02377	1.6
105.07082	0.8
107.08575	1.3
109.02937	0.8
109.10191	0.9
111.08113	0.4
114.89867	0.3
115.03959	0.4
117.07032	0.4
119.08627	0.5
121.10172	0.9
123.11723	0.8
127.03899	1.3
129.05666	0.3
131.08586	0.7
133.10170	1.2
135.11728	0.9
145.04988	0.5
147.82065	0.3
149.13251	0.6
151.11313	0.4
159.11722	0.4
163.11450	0.3
185.04305	0.9
197.84163	0.3
203.05318	0.6
209.11705	0.3
228.94417	0.3
243.08359	2.4
243.16010	0.4
257.17538	0.5
267.15723	0.7
283.15472	0.5
323.18427	0.5
333.15460	0.4
339.28958	0.4
347.09464	2.1
363.09116	0.7
365.10751	0.7
405.13708	5.3
405.18787	0.4
413.17981	0.6
453.21280	0.5
485.23651	6.3
519.29285	3.7
530.39105	0.5
531.77386	0.3
538.31866	0.3
547.40326	0.8
548.40460	1.9
565.41602	0.3
566.41638	1.0
585.28528	1.4
647.28796	6.2
681.34534	3.8
755.38196	0.6
763.46063	1.3
765.25244	0.4
794.52032	0.4
897.28400	0.3
925.51245	100.0
926.51703	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	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.0
67.60361	0.3
69.03439	3.1
69.07073	0.8
69.20757	1.9
71.01347	0.6
71.05013	1.4
73.02921	3.1
79.05128	0.4
79.05498	2.1
81.03445	1.4
81.07060	3.3
83.08631	0.7
85.02908	5.7
91.03956	3.2
91.05489	2.0
93.07034	2.0
95.04980	0.4
95.08617	1.7
97.02898	5.2
97.06557	0.4
97.10184	0.4
99.04473	0.6
101.02386	1.9
103.03968	0.5
105.07065	0.9
106.19144	0.3
107.08619	1.2
109.02899	0.5
109.10210	0.8
113.88009	0.3
115.03975	0.4
117.35275	0.3
119.08618	0.6
121.10126	1.5
121.86999	0.3
123.11734	0.5
127.03969	1.4
131.08614	0.5
133.10193	1.4
135.11728	1.0
147.11798	0.4
159.11784	0.6
185.04280	0.7
193.36441	0.3
194.26993	0.3
203.05319	0.7
243.08444	2.1
267.15808	1.2
301.16464	0.7
305.08627	0.3
317.33801	0.3
335.25882	0.6
339.29153	1.0
340.29614	0.5
347.09525	2.3
363.09155	0.5
365.10947	1.1
405.13666	5.4
485.23608	4.5
519.29272	6.2
548.40540	0.5
566.41345	0.7
585.29419	0.5
647.28998	3.7
681.34619	6.7
763.46002	1.3
925.51288	100.0
926.50952	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.6199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.5
67.05500	0.5
69.03432	1.3
69.07057	0.6
71.04990	1.1
71.08617	1.3
73.02911	3.5
73.06553	4.8
77.03922	0.5
78.04697	0.3
79.05488	0.9
81.07056	0.4
83.04972	0.7
83.08576	0.5
87.04462	38.2
89.06025	100.0
91.05474	8.1
91.06041	0.2
91.07574	0.6
93.07040	6.0
95.04970	3.7
95.08563	0.5
97.06549	0.3
97.10151	0.4
103.05453	2.2
105.04513	1.0
105.07024	2.4
107.04951	1.7
107.07050	1.6
107.08563	2.4
109.06535	1.4
109.10137	0.4
113.05970	1.5
113.13271	1.2
115.05432	0.7
115.07555	0.8
117.07025	2.4
117.09132	3.8
118.07794	5.9
118.08634	0.4
119.04932	4.0
119.08571	6.3
121.06500	20.7
121.10132	1.0
123.08073	1.1
129.07040	0.8
130.08641	2.3
131.07030	15.2
131.08601	0.7
133.08597	68.3
134.08975	0.3
135.08037	5.3
135.11688	2.3
145.06483	0.6
145.10068	0.5
147.08038	12.5
149.09602	5.5
149.13200	1.2
150.06741	4.4
150.07831	0.4
157.08615	0.8
159.10266	0.7
159.11722	2.1
161.09673	0.8
161.11746	1.0
161.13106	0.3
163.07544	0.6
163.11186	2.3
165.09097	6.2
165.10405	0.5
167.10684	1.4
173.09627	0.8
175.09665	12.8
175.11131	0.9
177.11218	28.4
177.12657	2.0
178.11549	0.3
179.10660	0.5
189.12878	0.3
191.10661	3.3
193.10739	0.7
193.12294	1.5
195.12297	0.3
201.11238	0.7
207.10216	0.5
207.13846	0.5
209.11737	2.0
211.13297	4.0
217.12288	0.8
217.17052	0.5
219.12250	3.9
221.13834	7.5
223.15402	0.9
231.17491	0.4
233.18976	19.6
235.13274	3.2
237.13263	0.7
239.14981	0.9
247.20627	1.3
251.12726	0.4
253.14401	0.8
255.15948	2.8
257.19174	0.5
259.20569	4.0
261.15015	0.3
263.14926	0.3
265.16446	2.5
267.18149	0.4
275.20190	1.1
275.23770	1.3
277.21606	27.7
279.15900	2.2
283.17542	1.9
292.31900	0.3
297.16959	0.5
299.18491	1.9
303.23178	3.3
307.17593	0.3
309.19089	2.0
311.20605	0.3
319.22812	1.2
321.24219	7.1
321.27673	0.5
323.18546	0.8
327.20236	1.3
341.19760	0.3
343.21320	0.8
353.21704	1.8
354.89706	0.3
355.23398	0.3
363.25589	0.6
365.26892	0.4
371.23087	0.4
397.24280	1.7
441.27087	1.0
485.29654	0.6
573.35419	0.3
799.46881	0.9
867.56946	0.4
911.59381	6.6
928.62195	20.8
929.50061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.6199
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.6
69.03434	1.5
70.03671	0.8
71.04998	0.4
73.02923	2.3
73.06558	2.7
79.05479	0.7
85.02896	0.7
87.04465	43.4
89.06026	100.0
91.05468	1.0
91.07587	0.6
93.07034	0.7
95.04978	0.6
97.02886	0.5
98.96735	0.3
105.07042	0.7
107.04949	0.7
107.07084	1.8
113.06011	1.8
115.07597	0.6
117.07017	0.7
117.09145	2.4
119.08570	1.1
121.06496	3.7
129.07022	0.3
130.08636	1.9
131.04956	0.6
131.07039	14.6
133.08598	67.7
135.10165	0.8
145.06474	0.7
145.10165	0.5
147.08052	2.9
149.09650	2.3
151.09665	0.4
157.08600	0.9
159.08092	0.4
159.10136	0.6
161.09654	0.4
161.11684	0.6
163.07516	0.4
163.11256	0.5
173.09610	1.8
175.08130	0.6
175.09665	13.2
175.11127	1.1
177.11211	29.0
191.10672	1.2
193.10623	0.4
193.12238	1.2
195.12202	0.5
201.11229	0.6
209.11685	1.3
217.12248	0.6
219.12250	5.2
221.13814	6.5
223.15445	0.5
233.18990	1.9
235.13300	0.7
237.13261	0.9
239.14920	1.2
253.14285	0.6
255.15926	0.6
259.20554	2.2
261.12299	0.3
261.14920	0.5
261.22180	0.3
263.14908	1.0
265.16531	1.5
267.17880	0.7
275.23596	0.3
277.21680	0.5
279.15921	0.8
283.17484	2.4
285.22122	0.5
297.16934	0.7
299.18442	0.6
303.23053	2.2
305.24783	0.5
307.17542	0.5
309.19073	1.2
321.24323	0.7
327.20081	0.8
343.21045	0.6
347.25735	0.4
353.21509	1.7
387.23834	0.6
397.24377	0.6
431.26331	0.4
441.26810	0.5
541.37024	0.5
614.58948	0.3
740.36932	0.3
765.45459	0.3
874.56488	0.7
911.57495	1.2
928.47559	7.0
928.62354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.8
68.99789	5.9
69.03426	0.3
69.40305	1.2
72.19763	0.3
72.55978	0.3
77.03922	0.3
79.01849	2.5
81.03439	0.4
84.00779	0.3
91.05466	0.4
97.02883	0.3
98.23416	0.4
107.01324	0.8
109.02848	0.6
111.00794	4.3
111.04420	0.7
115.05441	0.5
121.02890	0.5
123.04442	3.1
125.02354	1.5
127.03925	3.1
131.04939	0.6
133.02850	0.8
139.03902	32.5
141.06972	0.4
143.03398	3.0
145.02888	0.5
145.06461	0.9
147.04388	2.1
149.02328	1.6
149.06000	0.8
149.59694	0.3
151.03909	10.8
152.01068	1.3
153.01828	65.5
153.02879	3.0
155.04926	0.7
157.02870	0.4
157.04968	1.3
157.06509	1.1
159.04402	0.9
161.05981	0.9
163.03914	4.3
165.01929	0.4
165.05447	0.6
165.28160	0.3
167.03400	15.8
167.04677	1.0
169.06485	0.3
171.04448	2.9
173.05997	2.5
175.03905	5.9
177.01862	1.4
177.05426	1.9
179.03400	7.0
181.04892	0.3
183.04384	1.0
184.08917	0.3
185.05951	2.0
187.03955	0.7
189.05438	2.1
191.03410	1.0
191.06967	0.4
193.04976	1.0
197.05992	2.2
199.03914	8.3
200.60847	0.3
201.05472	3.7
203.03384	9.3
205.01309	0.6
205.04912	3.3
207.52505	0.3
211.03844	0.8
213.05470	6.2
213.07513	0.4
215.03386	0.7
215.06894	0.3
217.04956	7.1
219.06462	3.8
223.02220	1.8
225.05513	1.1
227.03415	2.2
229.04959	2.2
231.06557	1.9
233.04456	0.6
241.04919	3.6
243.06589	0.6
245.04474	11.2
253.04950	1.3
257.04422	4.6
259.06012	1.9
263.05469	5.1
265.05032	0.4
269.04449	4.3
271.06000	3.3
275.05496	2.9
281.04468	1.0
283.06042	0.5
287.05496	100.0
288.05884	1.5
289.06998	3.0
295.05997	0.4
297.03983	0.8
299.05502	21.3
300.06052	0.4
301.06824	0.4
303.04932	2.1
305.06604	0.9
311.05484	2.1
317.06577	1.3
323.05701	0.4
331.04446	2.7
350.12985	0.3
407.07626	1.5
425.08661	20.4
426.09085	0.6
437.08749	1.1
449.08621	1.8
533.22070	0.3
575.12225	0.5
595.10724	0.4
618.76306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	8.9
69.03431	14.2
69.07072	7.7
70.90230	2.1
71.04992	42.0
73.02921	8.8
75.04472	4.2
76.37663	1.5
77.49416	1.3
79.05502	5.8
81.03419	2.4
81.07056	20.3
83.04982	14.6
83.08629	3.9
85.02902	85.2
87.04459	2.1
91.05473	4.8
93.07043	18.1
95.04978	3.7
95.08601	35.8
95.09208	1.7
97.02890	20.8
97.10194	2.0
99.04435	1.7
103.03962	2.1
105.07033	11.0
107.08577	21.0
109.02898	1.5
109.10158	25.0
111.04442	13.2
113.05935	2.1
115.03947	11.5
117.07018	1.7
119.08572	8.0
121.10140	18.6
123.11703	10.2
127.03919	6.5
129.05481	33.2
131.08539	7.0
133.04961	2.0
133.10143	6.1
135.11697	17.5
137.13275	8.7
143.08522	4.5
145.04930	4.1
145.10092	10.9
147.06514	17.2
147.11728	7.9
149.04385	1.7
149.13252	22.6
151.03859	1.7
155.08488	1.6
156.09320	1.8
157.10103	5.4
159.11693	8.4
161.09717	1.4
161.13290	6.0
163.04016	1.4
163.14796	2.8
164.09169	2.3
166.79350	1.3
169.10139	2.6
171.11684	4.5
173.13229	8.8
175.11221	1.7
175.14870	2.6
177.16420	3.5
183.11717	2.9
185.13304	1.9
187.14824	4.9
189.12755	2.2
189.16385	6.4
191.14311	2.9
191.17940	13.0
199.06125	1.5
199.14807	3.0
201.12810	3.4
201.16422	4.2
203.17955	6.4
205.19473	13.2
207.13770	3.2
211.14833	2.6
215.14297	3.3
215.17903	2.1
217.15904	3.8
217.19514	3.1
219.13829	2.2
219.21010	2.3
225.07552	13.2
227.14229	2.7
229.15881	2.3
231.21103	5.6
233.15346	5.3
243.08624	8.8
245.15373	2.4
247.16933	4.5
247.20564	2.1
255.08553	3.0
257.18988	1.4
259.08102	2.0
261.09824	7.3
263.16428	30.6
270.42618	1.5
273.09549	2.8
279.10739	15.5
309.11807	8.2
383.90875	1.5
389.32242	2.0
393.31705	1.6
407.33118	3.0
419.33099	7.9
425.34216	2.2
437.28320	1.8
437.34155	30.1
455.35187	100.0
494.79907	1.6
587.39337	1.7
758.73425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.7
68.99788	6.0
70.60262	0.8
78.08760	0.6
79.11420	0.6
81.03393	1.8
89.16821	0.6
90.63387	0.5
95.04985	1.4
97.52361	0.7
105.03390	1.1
109.02888	5.6
111.00808	7.8
111.04457	0.7
115.05460	0.6
119.04984	0.7
120.57185	0.7
121.02866	1.3
123.04429	11.3
127.03909	43.9
129.92548	0.6
133.02869	3.3
135.04404	2.0
139.03897	69.7
140.04240	0.8
147.04387	2.8
149.02339	3.2
149.06027	0.6
150.03102	0.9
151.03897	39.4
153.01801	4.9
155.03409	9.9
159.04404	0.6
161.05968	2.0
163.03893	6.4
165.05511	1.8
167.03351	1.3
169.04970	2.0
171.04419	1.4
173.05975	1.1
175.03928	6.8
177.05475	7.0
177.20164	0.7
179.03383	41.4
181.04959	2.4
185.05971	1.2
187.03790	0.8
189.05443	4.9
191.03383	6.9
193.04938	2.1
199.03831	3.3
201.05431	2.0
203.03395	16.1
205.05013	1.3
213.05444	4.2
215.03386	1.5
217.05017	5.7
219.02928	1.1
219.06485	1.2
221.04512	1.1
223.02322	3.0
227.03448	0.8
229.04936	4.2
230.05493	0.8
231.06564	2.2
233.04463	4.7
235.06050	0.9
241.05072	3.4
245.04449	100.0
246.04855	1.6
247.06027	3.3
253.04976	1.0
257.04456	13.9
258.04807	1.0
259.05951	3.4
263.02655	1.4
263.05493	29.1
269.04391	4.1
271.05951	2.0
274.04706	0.8
275.05478	19.3
277.07059	4.4
281.04358	1.6
285.03922	1.0
287.05484	46.1
295.05930	0.8
297.04007	1.0
299.05453	6.9
305.06534	32.7
307.08173	8.8
309.03757	0.7
311.05585	0.8
317.06564	8.2
321.07635	1.7
323.05408	0.8
329.06555	1.3
330.02600	0.7
346.22449	0.8
347.07803	1.0
349.07056	1.3
351.04752	1.0
377.06421	1.0
381.06000	1.1
393.06058	3.3
395.07629	1.5
399.07178	1.2
405.06070	5.3
407.07324	1.7
413.08670	9.5
423.07080	18.3
425.08798	6.4
431.09256	1.0
435.06906	2.8
437.08728	0.9
441.08151	18.7
443.03568	1.4
443.09726	26.9
447.07059	1.2
453.08316	4.5
465.07990	3.0
467.09622	2.1
483.09274	1.9
561.10529	1.3
567.11505	4.0
573.10278	2.7
591.11298	3.9
609.12317	8.4
611.06598	0.6
611.13953	6.7
631.54315	0.8
664.92731	0.7
729.13824	1.9
747.15692	5.1
789.04236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83224	0.5
67.05502	5.5
69.03429	44.4
69.07071	5.8
69.79037	1.7
71.01351	2.4
71.04987	2.2
73.02917	28.5
79.05505	4.7
81.03421	6.9
81.07059	15.2
81.07433	0.3
83.04987	0.7
83.08614	3.3
85.02902	86.8
85.50154	0.6
87.04453	4.6
91.03967	4.1
91.05466	3.5
93.07043	12.4
95.04989	1.1
95.08607	26.4
97.02891	100.0
97.06537	1.1
97.10184	2.0
99.04455	5.5
103.03950	3.0
103.59290	0.5
105.07030	9.1
107.08595	16.7
109.02876	9.1
109.06507	1.5
109.10155	20.5
111.08037	1.1
111.11723	0.7
115.03926	26.8
117.07011	1.4
119.08560	8.1
121.06490	0.7
121.10143	16.9
121.10991	1.1
123.04407	0.5
123.08105	1.2
123.11703	9.7
125.02397	0.8
125.06051	0.5
125.09653	0.7
127.03192	0.5
127.03912	35.1
131.08603	2.7
133.04968	36.1
133.10124	5.7
135.04376	0.6
135.11687	13.1
137.09586	0.7
137.13255	5.9
139.03854	0.7
143.08568	1.0
145.04956	44.0
145.10120	4.7
147.11667	5.7
149.06001	0.8
149.13254	20.8
151.03972	1.0
151.14777	0.8
157.04922	0.8
157.10147	1.3
159.11679	4.7
161.13266	5.3
163.04642	0.9
163.06012	19.2
163.14803	5.0
169.04939	0.7
171.11729	0.9
173.13263	4.5
175.14803	8.1
177.12743	0.9
177.16362	2.4
179.14258	1.0
181.04942	1.2
185.13168	0.9
187.14824	8.2
189.16394	5.9
191.14330	1.5
191.17932	7.0
193.04951	4.5
193.15846	3.1
195.06525	0.9
199.06076	2.0
199.14977	0.7
201.16400	5.7
203.14297	0.6
203.17969	6.4
205.15915	8.0
205.19502	9.5
207.17467	1.2
211.06050	1.0
213.16347	2.4
215.17957	7.5
217.07013	2.9
217.16008	0.6
217.19548	3.5
219.17459	1.0
219.21001	0.7
223.06003	14.5
223.16927	1.3
227.17984	1.4
229.19426	3.2
231.17531	1.6
231.21138	4.3
233.19000	16.0
241.07077	15.8
241.19510	0.6
243.21138	1.8
245.22681	1.6
247.20532	0.7
249.18510	22.1
255.21022	1.1
257.22644	1.1
259.08130	43.8
261.22070	0.6
269.22696	1.3
273.22208	1.0
277.09137	6.2
281.22546	0.7
289.09244	0.9
295.10233	38.8
325.11203	7.3
379.33316	0.7
393.35150	2.2
395.36563	0.6
397.34729	1.0
405.35135	7.1
407.36600	0.6
411.36255	1.6
423.36212	36.3
424.36282	0.8
425.37579	0.7
441.37271	78.7
442.37637	1.1
456.50864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69998	2.0
71.75156	0.6
78.64780	0.7
79.27349	0.6
83.01116	1.2
87.04459	0.8
87.09668	0.8
89.06062	2.1
90.06349	1.0
91.73201	0.6
98.22743	1.2
111.04199	3.0
127.03717	1.6
133.08658	1.2
155.06760	3.2
156.07768	1.1
169.08455	0.7
171.06361	1.7
199.09479	3.0
214.39799	0.7
215.09000	1.2
243.12160	2.5
271.15332	2.2
287.14752	1.8
315.18198	0.9
331.17441	1.2
347.16745	1.4
375.20099	0.7
419.22684	2.6
435.22449	0.9
463.25998	0.9
507.27982	1.5
523.27734	1.1
595.32977	0.8
683.38593	1.0
746.99915	0.7
861.48920	1.1
933.57587	100.0
934.57971	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	933.5756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05528	0.3
79.76360	0.3
81.07106	0.4
83.01102	1.5
87.04475	0.5
89.06028	1.4
90.06353	0.5
91.79856	0.3
98.03432	0.4
100.40530	0.3
111.04204	3.1
112.05013	0.8
127.03679	2.5
127.05743	0.3
133.08681	0.4
139.07391	0.6
141.05229	0.7
142.06026	0.3
145.65173	0.4
155.06783	2.4
156.07631	0.6
171.06311	1.8
183.10080	0.4
185.07951	0.3
186.08606	0.4
199.09357	2.0
214.11923	0.3
215.09012	0.8
227.00949	0.3
227.12561	0.3
243.12010	1.6
259.11530	0.4
271.15414	0.8
287.14810	1.2
289.14395	0.4
292.82281	0.3
331.17426	0.8
333.16794	0.8
347.17065	0.3
375.19821	0.5
377.19403	3.0
391.19501	0.6
419.22766	0.4
421.21988	2.9
435.22214	0.5
463.25400	0.6
465.24600	3.6
479.24426	0.4
509.27286	3.6
553.29602	2.2
597.32452	1.7
641.35376	0.9
685.37463	0.6
812.58887	0.4
821.44446	0.4
861.48383	0.5
933.57532	100.0
934.57324	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	936.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.9
67.05503	57.8
69.03429	4.8
69.07069	12.2
69.85622	3.1
71.04997	3.7
72.70790	0.9
73.02911	3.0
79.05491	38.5
79.05953	1.9
81.03415	84.5
81.07053	57.1
82.14409	0.9
83.04990	5.5
83.08617	21.7
85.02899	8.9
85.06539	3.1
91.03943	5.5
91.05477	34.9
93.07043	42.5
94.52600	0.9
95.04970	34.2
95.08603	40.1
97.02863	5.8
97.06533	4.2
97.10169	8.4
99.08101	2.3
105.04501	2.2
105.07025	25.2
107.04935	7.3
107.08592	24.8
109.06549	5.6
109.10152	20.5
111.08067	6.9
111.72668	1.0
115.05509	1.8
117.07027	8.7
119.08585	23.6
121.06532	4.0
121.10148	21.0
123.04410	3.3
123.08079	4.5
123.11706	6.6
125.09655	5.6
127.03922	2.9
129.06987	11.4
131.08569	21.5
133.06494	3.6
133.10130	15.9
135.08076	3.3
135.11694	12.0
137.09621	1.7
142.07849	2.1
143.08533	2.3
145.05000	2.9
145.10123	10.5
147.08052	4.2
147.11678	15.1
149.09590	5.2
149.13232	7.5
155.08611	1.2
157.10094	10.6
159.08038	1.0
159.11711	6.2
161.09685	1.6
161.13275	7.3
163.06036	4.2
163.11218	2.8
163.14835	2.4
165.12782	2.3
169.10057	1.3
171.11696	2.0
173.13249	6.2
175.11180	10.4
175.14896	3.0
177.12595	1.2
177.16452	1.2
183.11574	1.3
185.13264	2.4
187.14839	4.3
189.11191	2.9
189.12701	1.2
193.12233	21.1
197.13295	1.3
211.13293	2.6
227.12776	9.8
231.13847	1.1
233.15622	1.5
243.21153	4.6
249.14696	1.8
259.13153	1.9
259.20618	1.4
261.22110	16.5
267.15903	100.0
273.14902	2.0
277.14273	1.3
279.23172	1.4
287.19925	1.2
301.14182	1.5
301.25256	4.4
309.16986	4.5
317.24802	3.7
319.15506	1.2
333.17151	1.3
335.25787	82.4
403.24341	1.5
407.24033	1.6
417.31619	1.6
421.25821	4.6
435.27164	3.5
435.32635	4.9
453.33646	6.7
461.29071	1.7
471.34616	4.6
509.36133	3.2
527.37323	76.1
528.37982	2.2
545.38354	89.3
546.39020	2.2
559.39819	3.1
569.38104	8.7
577.40765	3.9
587.39471	1.9
611.39246	2.4
623.39246	4.6
635.39166	4.0
653.40186	4.3
671.41382	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
66.37514	0.4
79.01855	2.9
81.03436	0.5
85.02901	4.1
97.02890	1.1
103.03945	0.9
107.01321	0.7
109.02890	0.5
111.04467	0.9
121.02892	1.3
123.04427	2.4
125.02355	2.0
127.03904	1.1
131.04916	0.7
133.02809	1.2
134.72177	0.4
137.02348	15.3
137.03336	0.6
139.03903	93.3
140.04259	0.5
143.03415	4.9
147.04486	0.5
150.03119	0.9
151.03906	15.7
153.01830	100.0
153.02892	4.8
154.02150	0.7
159.04425	1.5
162.00429	0.4
162.03090	0.6
163.03889	3.3
165.05606	0.4
166.02618	0.5
171.02859	0.5
171.04456	0.5
175.03899	1.0
176.04703	0.5
177.01826	3.6
177.05415	1.1
178.02602	0.5
179.03389	1.9
179.06941	0.5
181.04947	10.2
181.09448	0.4
187.03806	2.0
191.03426	2.2
193.04947	1.0
194.02063	0.8
195.02846	1.9
197.04373	1.2
199.03835	1.2
204.04156	0.9
205.04964	3.7
207.02887	0.7
209.04462	11.3
213.03908	5.0
215.03368	1.3
216.04108	0.6
219.06445	2.0
221.04420	3.0
229.04979	1.1
231.02739	0.5
232.03651	0.7
233.04512	3.6
237.03935	0.5
239.86874	0.5
245.04370	0.5
247.05988	3.5
249.03900	0.5
249.23117	0.5
251.05515	3.8
255.05060	2.8
257.04477	0.6
258.54224	0.4
260.03244	1.6
261.04001	0.5
263.05475	3.7
275.05530	10.4
281.06619	1.1
289.07056	11.5
293.06561	11.6
307.08173	0.7
311.07571	3.5
443.09821	4.7
445.07248	0.9
446.23672	0.5
463.08463	1.1
479.89828	0.5
481.09790	26.5
482.09912	0.6
552.08893	0.5
668.20691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05166	1.6
67.05505	20.9
69.03429	2.3
69.07068	23.5
70.73795	0.8
71.04996	1.4
71.08630	3.1
73.02901	1.2
76.11105	0.8
79.05492	12.6
81.03414	53.5
81.07053	21.8
83.04970	3.6
83.08617	26.9
85.02886	5.4
85.06534	2.2
85.10174	2.3
91.03962	4.1
91.05471	9.9
93.07043	13.4
95.04963	19.1
95.08018	1.6
95.08599	21.6
97.02884	4.0
97.06541	3.7
97.10167	10.9
99.08073	1.4
102.20849	0.7
105.07021	7.1
105.67138	0.7
107.04949	2.4
107.08591	8.0
109.06509	2.4
109.10147	9.6
111.04424	1.4
111.08089	5.9
111.11728	4.8
112.54131	0.7
115.05418	0.8
117.07034	1.0
119.08577	8.4
120.69685	0.7
121.06496	2.3
121.10138	15.2
123.04407	1.6
123.08114	1.1
123.11704	3.0
125.09616	2.8
127.03909	1.7
129.06989	5.8
131.08545	5.9
133.06488	1.8
133.10121	3.1
135.11684	10.2
139.11157	1.2
142.07813	1.7
143.30487	0.7
145.04910	1.3
145.10139	1.9
147.08051	2.1
147.11644	4.3
149.09634	3.6
149.13290	3.6
149.17799	0.7
151.14827	1.2
153.12694	0.9
157.10133	9.4
161.06053	0.8
163.06009	2.7
163.11224	1.5
163.14868	1.9
165.12689	1.8
165.16338	0.8
175.11194	6.8
186.77332	0.8
193.12230	26.4
211.13277	1.8
223.13347	0.9
235.13304	1.9
238.59108	0.8
247.24242	1.8
249.14908	1.3
259.13187	1.9
265.25238	3.0
267.15897	86.3
268.16339	0.9
273.14771	1.0
301.14276	1.7
309.16934	3.1
319.15259	1.0
339.28922	100.0
340.28912	1.2
347.84918	0.9
457.36771	3.1
531.40424	83.3
532.40686	1.4
549.41547	16.3
573.41650	8.2
591.42505	0.9
615.42377	2.1
627.42316	3.4
639.42242	3.1
657.42926	3.0
675.43921	2.4
774.71661	0.8
886.74835	0.8
940.49017	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	942.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	2.0
67.05506	11.5
68.99799	4.4
69.03429	36.8
69.07063	6.0
71.01389	1.2
71.04996	3.8
73.02908	6.6
77.03957	1.7
79.05496	14.6
81.03415	33.6
81.07050	12.7
83.01340	2.2
83.04999	3.2
83.08614	3.7
85.02903	96.6
87.00826	37.4
91.03957	3.5
91.05486	11.8
93.03383	1.1
93.07040	13.3
95.04972	5.8
95.08607	11.2
97.02889	43.2
97.06529	10.1
97.10165	1.7
99.04456	13.1
105.01866	39.7
105.03395	1.9
105.07047	7.3
107.04958	5.0
107.08591	11.1
109.02874	39.4
109.06518	3.3
109.10178	3.0
111.04428	5.8
111.08094	4.0
115.04006	2.5
115.05450	2.9
117.01833	2.8
117.07035	4.4
119.04940	3.8
119.08588	6.8
121.02885	3.4
121.06496	2.7
121.10153	12.7
123.04435	8.5
123.08082	2.8
125.02399	1.0
125.05957	1.3
127.03912	60.7
128.06241	1.3
129.01854	3.7
129.07014	3.4
131.04968	1.7
131.08582	8.0
133.02869	2.4
133.06491	6.1
133.10117	6.1
135.04395	5.6
135.08107	2.2
135.11703	4.7
137.02339	3.1
137.05956	3.2
137.09589	2.3
139.03899	54.1
139.11197	1.2
143.08551	1.3
145.04973	19.8
145.06482	3.7
145.10106	4.0
147.02905	1.9
147.04411	14.4
147.08067	4.5
147.11703	4.2
149.02444	1.6
149.05960	6.0
149.13301	2.8
151.03873	6.5
151.07515	1.4
153.05476	4.6
155.03384	21.6
157.06526	4.2
157.10153	1.2
158.65707	1.0
159.02913	12.2
159.04280	1.9
159.08125	1.3
159.11708	3.0
160.14110	1.3
161.02348	8.7
161.05966	14.1
161.13289	3.8
162.07669	1.1
163.03903	76.3
163.07448	5.4
164.04340	1.1
165.05486	17.0
167.03412	3.3
169.05013	1.7
169.06429	1.8
169.10083	1.6
171.04454	1.6
171.08032	2.7
171.11670	1.3
173.06006	9.4
173.09657	1.3
173.13245	9.2
175.03896	4.3
175.07520	6.3
175.14815	1.6
176.04599	1.4
177.04099	1.7
177.05487	13.8
177.09093	2.1
178.06319	1.3
179.03389	94.1
179.06995	31.4
180.08690	1.8
181.04959	1.9
181.06578	1.5
183.08061	1.9
185.05957	4.8
187.03961	3.3
187.07469	6.8
187.11195	2.0
189.03931	3.3
189.05438	20.6
189.09106	2.7
191.03441	2.6
191.07080	4.1
191.14326	2.9
193.05006	6.9
193.08588	2.3
197.06020	4.9
197.09607	1.9
199.07584	4.5
201.05501	7.9
201.09122	5.2
203.03427	3.5
203.07033	26.8
203.10760	1.8
205.04965	21.8
205.08633	2.4
211.11151	1.4
213.03928	4.4
213.05536	3.2
213.09024	5.2
215.06995	4.2
215.10730	3.5
217.05022	3.8
217.08586	5.4
219.06586	4.7
219.10181	2.8
221.04439	29.9
223.07622	1.8
225.09142	2.5
227.07057	4.1
229.05022	8.7
229.08577	3.7
231.04828	16.9
231.06952	2.3
231.10138	2.6
233.04486	1.6
233.11734	1.9
237.09178	1.6
239.10695	4.4
241.08589	3.2
243.06555	1.4
243.10194	3.8
245.04474	12.2
245.08154	4.4
247.05983	7.9
248.07867	1.6
249.06003	9.3
253.12225	1.7
253.15947	1.2
255.06586	2.0
255.10185	2.4
256.74823	1.2
257.08243	1.6
257.11774	3.1
259.09714	2.0
263.05420	6.3
267.10129	1.4
269.08066	2.1
271.16861	2.3
277.12384	1.3
281.11877	1.5
281.15402	1.8
283.09570	1.7
287.05655	2.2
287.09039	2.4
289.17926	3.4
295.16742	5.1
297.18420	1.2
299.09201	1.4
299.13058	1.6
299.16443	8.8
305.15439	2.2
311.16296	1.3
313.18030	10.3
315.07172	1.5
317.17471	45.3
323.12930	2.0
323.16403	13.0
331.19058	2.3
335.18530	39.8
335.22485	2.7
341.17444	68.7
342.17856	1.4
347.18518	1.1
353.19354	3.7
355.19104	4.4
359.18515	100.0
365.17264	6.1
375.09186	1.4
377.19580	19.2
379.19110	2.6
383.18524	31.9
389.17798	3.2
393.10193	1.6
397.19983	4.5
401.19531	30.1
407.18472	16.7
413.19760	1.6
419.20563	33.7
425.19565	50.1
443.20627	36.1
461.21649	17.0
467.20370	1.5
479.22620	2.9
485.21848	2.4
493.18829	1.7
511.19562	11.7
529.20587	19.4
547.21698	19.7
565.22552	12.5
583.23615	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	944.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76093	0.7
68.99781	5.4
69.03426	42.6
69.07065	1.8
69.54099	3.3
71.01353	1.3
71.04990	4.9
71.08622	1.6
73.02914	7.8
79.05490	1.7
81.03413	39.8
81.07055	1.3
83.01344	1.6
83.04980	1.9
83.08600	1.4
85.02899	100.0
87.00827	37.6
87.04462	1.0
91.03957	2.1
91.05451	1.1
93.03406	0.9
93.07057	0.9
95.04997	2.1
97.02888	39.6
99.04456	17.7
101.02350	1.2
103.03972	6.7
105.01860	37.3
107.04927	2.3
109.02876	48.9
111.04440	4.4
115.03920	2.8
117.01871	2.8
119.04914	0.9
121.02871	2.1
121.06482	1.0
123.04423	3.1
125.02339	1.3
127.03909	78.5
129.01819	5.9
129.07072	0.8
133.06511	0.9
135.04396	4.4
137.05995	0.9
139.03894	14.2
145.02919	1.0
145.04948	25.4
147.02858	5.0
147.04329	1.1
149.02328	1.9
149.05946	1.2
151.03906	3.5
153.05479	6.4
155.03297	1.0
159.02890	17.1
159.07997	0.9
161.05986	1.2
162.07574	1.0
163.03891	51.3
165.05505	1.6
167.03421	2.3
167.07135	0.9
169.04932	4.0
171.02858	2.8
173.05930	1.0
175.03978	1.2
175.07497	1.5
177.03993	1.4
177.05463	8.5
179.03380	1.1
180.08754	1.5
181.04947	13.5
187.06007	1.0
187.07533	1.3
189.03926	18.9
189.05441	2.3
191.03407	1.2
191.07080	1.1
193.04938	3.4
195.02948	0.9
201.05484	1.5
204.70529	0.8
205.04953	13.1
207.06590	1.1
211.05984	1.4
213.03941	13.9
217.04752	0.7
219.06580	1.2
229.04939	2.7
231.04993	27.4
235.06029	1.4
247.06000	5.2
249.06033	10.3
253.07063	1.6
255.04825	0.9
269.17441	1.9
273.06009	11.1
275.16452	6.2
279.15930	2.8
281.17334	2.0
289.17874	1.0
293.17450	76.2
305.17398	3.5
311.18445	3.1
313.18015	0.9
315.07111	2.4
317.17368	2.9
319.18799	1.7
321.05890	1.3
326.58472	0.8
326.83121	0.9
331.19043	4.5
333.16895	1.3
335.18518	39.0
339.07172	4.9
341.17429	1.5
357.08032	3.2
359.18475	21.3
377.19568	30.7
383.18588	1.7
395.20618	2.3
401.07159	1.1
401.19516	2.0
425.06732	0.9
443.08032	2.3
461.09082	5.0
463.19714	8.2
481.20636	9.6
499.21771	9.5
505.20322	2.2
523.21478	3.1
739.16077	0.9
944.44769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01859	0.6
67.05489	1.6
68.99789	6.0
69.03426	41.9
69.07068	2.1
71.01350	1.1
71.04995	4.6
71.08620	1.2
71.45918	0.5
73.02914	7.5
79.05477	1.4
81.03414	38.0
81.07049	2.0
83.01335	1.9
83.04980	2.5
83.08600	1.1
85.02901	100.0
85.10175	0.7
87.00826	42.1
87.04463	1.2
91.03946	2.4
91.05489	0.9
93.03404	1.7
95.01322	0.6
95.04978	2.1
95.08597	0.9
97.02890	39.4
98.03207	0.6
99.04453	14.7
101.02386	0.9
103.03931	6.6
103.05424	0.6
105.01865	36.6
107.04954	2.4
108.04453	1.3
109.02874	44.4
111.04436	3.4
114.67830	0.6
115.03931	2.9
117.01849	4.2
121.02858	2.0
121.06535	0.6
123.04420	2.0
125.02348	1.4
125.05961	0.7
126.05547	0.8
127.03909	70.5
129.01819	6.4
135.04408	5.6
137.02382	0.8
137.05956	1.3
137.13289	1.1
139.03908	12.4
145.02881	1.7
145.04958	23.3
145.06335	1.1
147.02917	3.8
147.04433	1.8
149.02353	1.8
149.05962	1.8
151.03906	3.2
152.44957	0.6
153.05478	6.0
155.03380	1.7
159.02885	16.1
159.04332	0.9
161.06024	1.6
163.03897	53.1
165.05484	2.0
167.03395	2.0
169.04964	3.5
171.02835	2.8
173.05949	2.3
175.03894	1.0
175.07582	1.3
177.03983	1.3
177.05455	11.2
179.03400	1.8
180.08658	0.9
181.04945	11.8
181.06427	1.1
187.03963	0.8
187.05954	0.8
187.07498	1.1
189.03932	21.0
189.05443	1.8
191.03416	2.0
191.06978	1.1
193.04947	4.6
195.02859	1.0
196.69817	0.7
201.03816	0.6
201.05460	1.4
203.06963	1.0
205.04950	15.2
207.06548	1.0
209.04396	0.7
211.06160	0.8
213.03920	11.1
213.05780	0.8
215.03342	1.0
217.04933	0.9
219.06601	1.4
229.05031	3.0
231.04996	26.4
235.06065	1.5
243.06612	0.6
247.06085	5.2
248.07596	0.8
249.06065	7.7
253.07039	0.9
265.07022	0.8
269.17456	1.5
269.22211	0.7
273.06052	11.5
275.16336	6.6
279.15973	2.8
281.17355	1.0
288.76923	0.6
289.17953	1.7
291.15942	1.1
293.17453	75.4
294.17740	1.0
297.06070	1.0
303.19443	0.9
305.17487	1.7
309.16974	1.0
311.18484	2.9
313.17847	1.0
315.06985	3.3
317.04767	0.9
317.17300	4.3
319.19028	1.6
321.06134	0.8
331.19070	4.5
333.16873	1.4
335.18500	44.9
339.07047	4.7
347.18539	0.8
357.08109	2.2
359.14053	1.4
359.18494	23.1
375.17557	0.8
377.19559	28.4
383.18399	1.5
395.20523	3.2
401.07269	0.7
401.19589	3.3
419.08517	0.7
419.20755	0.9
443.08151	1.4
443.21021	0.6
445.18430	1.3
446.60931	0.7
461.09143	3.3
463.19623	6.9
479.10239	1.3
481.20605	7.7
487.18835	0.9
499.21710	7.5
505.20752	1.3
523.21625	2.6
547.20813	0.7
583.23743	1.5
937.49384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54750	0.7
67.05499	6.5
69.03424	10.3
69.07062	9.6
69.59048	2.5
70.22928	0.5
71.01353	1.5
71.05006	0.7
71.08627	1.0
73.02912	16.1
77.90479	0.6
79.05481	5.5
81.03416	1.9
81.07050	20.3
82.88464	0.6
83.01340	0.6
83.08610	5.3
85.02899	40.8
87.04475	1.1
88.87213	0.5
91.03934	1.6
91.05459	4.2
93.07043	13.2
95.01321	8.2
95.04996	0.9
95.08601	39.8
97.02885	32.9
97.10155	3.9
98.23446	0.9
99.04472	1.3
101.02341	0.7
103.03921	1.9
105.07027	9.8
107.07841	1.0
107.08583	21.5
109.02888	2.4
109.10146	24.5
110.58174	0.7
111.11715	1.6
113.02333	1.4
115.03919	16.2
117.07004	1.4
119.08571	18.1
121.10139	22.4
123.00822	0.8
123.11701	13.6
123.12528	1.0
127.03906	11.3
131.03453	0.9
131.08553	4.1
133.04964	5.4
133.10118	14.2
135.11687	18.7
137.13237	8.6
141.01816	41.4
145.04948	26.3
145.06094	1.4
145.10112	6.2
147.11668	9.9
149.13240	19.0
153.09108	2.2
157.10123	1.2
159.02882	11.0
159.11679	4.1
161.13246	8.4
163.06010	15.3
163.14801	6.6
165.97203	0.7
171.11720	1.1
173.13252	4.5
175.14796	7.0
177.03951	3.6
177.16385	5.7
179.10670	1.7
179.17993	1.9
181.04816	0.6
185.13213	0.8
187.14737	3.3
189.16368	27.1
191.17932	44.5
199.14783	1.2
201.16374	30.7
203.17943	36.6
205.19496	26.1
207.17461	1.4
213.16414	2.2
215.17931	11.5
217.07071	1.0
217.19534	7.3
219.17505	1.1
221.15352	1.5
223.06070	1.1
227.18095	1.0
229.19479	0.8
231.17514	0.8
231.21100	2.7
233.15419	0.8
235.16902	4.7
241.07118	2.1
241.19543	2.0
243.21043	4.9
245.22729	2.5
247.16939	18.2
248.17406	0.8
249.18529	5.1
255.05046	2.0
255.21082	2.6
255.23636	0.6
257.22644	1.5
259.08139	1.6
259.16934	0.6
261.18466	7.1
269.22733	1.7
273.05966	4.7
275.20090	0.9
285.06042	1.7
289.21692	2.2
291.06946	3.2
295.10220	8.9
301.21518	0.9
303.07031	1.9
309.08081	5.5
315.23233	1.7
321.08142	15.8
339.09036	1.5
393.35098	12.6
411.36298	2.7
421.34357	0.9
423.24753	0.8
439.35684	100.0
440.36115	1.7
715.22015	0.6
944.48535	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	945.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.8
69.03435	3.5
69.07064	1.6
71.01353	0.7
71.05002	0.9
73.02920	3.4
79.05511	1.2
81.03419	2.3
81.07053	1.6
83.01342	0.3
83.05000	0.5
83.08610	1.6
85.02910	5.6
87.04502	0.4
91.03956	2.6
91.05492	1.0
93.07036	1.2
95.04977	0.5
95.08596	1.9
97.02892	5.9
97.10198	0.8
98.23474	0.9
99.04472	0.7
101.02368	1.5
107.08621	1.1
109.02907	1.1
109.10168	0.8
111.08057	0.3
115.03908	0.4
117.61360	0.2
119.08611	0.5
121.10166	1.0
127.03911	1.9
129.07024	0.3
131.08583	0.5
131.27016	0.2
133.10197	0.4
135.11682	0.5
145.04990	0.6
147.11720	0.7
149.09618	0.4
161.39249	0.2
185.04268	1.0
193.12320	0.6
203.05305	0.7
243.08421	2.1
247.24272	0.4
267.16074	0.5
277.86472	0.2
283.06265	0.3
283.15201	3.2
312.81253	0.3
339.17761	0.6
339.29065	1.0
345.87610	0.2
347.09540	3.4
355.69293	0.3
363.09158	0.7
365.10422	1.2
405.13629	7.1
487.84418	0.3
501.23065	6.5
523.32446	9.2
621.43262	0.3
663.28296	5.8
685.37640	11.6
744.63074	0.3
783.48566	2.5
944.16235	0.3
945.53876	100.0
946.53308	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.485
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01869	0.8
67.05495	4.7
69.03427	33.9
69.03805	1.8
69.07076	2.6
69.76230	1.9
71.51768	0.9
79.05483	1.7
81.03415	3.0
81.07055	3.4
83.08613	1.6
84.08141	1.0
85.02905	30.6
87.04464	29.9
90.03687	0.9
91.03958	1.4
91.05466	6.2
93.07042	63.9
95.04977	1.8
95.08619	9.1
97.02891	41.9
97.06520	2.4
99.04453	2.6
105.07070	1.3
107.08588	21.7
109.02876	1.9
109.06561	1.1
109.10152	91.8
111.04435	1.3
115.03929	57.3
117.05535	1.5
119.08548	1.5
121.10169	1.0
123.11686	1.4
125.13264	2.1
127.03925	7.0
133.04961	50.3
135.11687	100.0
139.03918	4.0
145.04973	10.9
150.07603	5.4
151.11185	2.6
153.01831	10.7
153.02931	1.3
153.12738	63.1
158.31436	0.9
163.06018	3.1
169.05013	1.1
169.12250	7.3
177.05467	1.3
177.12706	2.3
183.79640	1.0
199.03957	1.1
223.06079	1.0
229.07085	1.7
230.38379	1.0
241.07126	3.1
245.04460	1.5
249.14847	2.0
259.08170	14.0
265.09250	1.7
267.15912	36.5
277.09207	3.4
279.15887	2.5
285.16953	11.6
287.05466	11.9
295.10217	27.0
297.16949	54.3
315.18008	14.2
333.18958	1.2
425.08347	1.5
429.21124	9.1
447.22433	5.8
482.25824	2.5
773.78204	1.1
853.92889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	5.1
69.03425	43.4
69.07063	5.2
69.80274	1.3
71.01357	2.5
71.05003	2.5
71.05302	0.4
73.02913	30.9
75.50211	0.4
79.05500	4.4
81.03412	7.5
81.07052	15.6
83.01329	0.6
83.04987	0.9
83.08606	3.0
85.02899	88.4
85.06512	0.8
87.04459	4.3
91.03959	4.8
91.05479	3.8
91.68983	0.5
93.07040	12.5
95.04981	1.4
95.08601	26.3
97.02886	100.0
97.06525	0.8
97.10167	1.7
98.22711	0.5
99.04451	5.6
101.02357	0.7
103.03957	2.7
105.07020	9.6
107.04944	0.5
107.08591	17.1
109.02876	8.7
109.06506	0.5
109.10146	17.9
111.11698	0.9
115.03922	26.5
117.07008	2.4
119.08575	7.6
121.06538	0.9
121.10137	15.5
123.04426	0.7
123.08076	1.0
123.11705	6.1
125.02330	0.5
127.03905	30.2
128.06265	0.5
129.06989	1.9
131.08551	6.1
133.04959	35.2
133.10124	5.8
135.04337	0.4
135.08046	1.0
135.11682	13.4
137.02287	0.5
137.13225	5.1
143.08543	4.8
145.04950	41.5
145.10118	8.1
147.08057	1.3
147.11664	6.6
149.13239	15.7
151.14734	0.5
155.08592	1.6
157.04977	0.7
157.10114	5.1
159.11681	7.7
161.09615	1.5
161.13222	4.9
163.06015	16.9
163.11136	0.8
163.14787	3.6
169.10138	2.0
171.11678	4.1
173.09634	0.9
173.13264	7.1
175.11189	1.3
175.14792	3.2
177.12770	1.8
177.16367	1.9
181.04984	0.8
181.10001	0.7
182.10982	0.7
183.11679	2.2
185.13255	3.5
187.11140	1.7
187.14786	4.7
189.12755	1.7
189.16394	5.8
191.14330	2.6
191.17926	12.8
193.04971	3.5
195.06487	0.6
195.11665	0.9
197.13226	2.0
199.06024	1.0
199.14824	3.3
201.12636	3.4
201.16380	6.1
203.14284	1.9
203.17953	4.9
205.15872	0.7
205.19493	9.3
207.13873	1.3
207.17409	2.7
209.13176	0.8
211.05986	1.1
211.14809	1.5
213.16322	1.4
215.14369	2.4
215.17946	1.3
217.07135	2.6
217.15903	2.6
217.19461	2.3
219.13800	1.7
219.17444	1.0
219.21118	0.6
223.06012	12.5
225.16406	0.6
227.14267	1.8
227.18034	0.8
229.15871	4.1
229.19528	1.8
231.17467	0.8
231.20993	3.3
233.15367	3.8
239.17860	0.7
241.07060	12.8
241.19563	0.9
243.21091	1.2
245.15356	2.2
245.22731	1.1
247.16846	4.5
255.21028	0.8
257.18982	1.0
259.08121	37.3
263.16403	19.2
277.09158	6.2
289.09100	0.6
295.10229	27.3
325.11285	5.1
389.31750	0.8
393.31470	0.7
397.34897	0.6
401.31909	0.6
407.33109	4.8
409.34662	1.1
411.32443	1.3
419.33066	8.8
425.34180	2.6
437.34119	38.4
455.35181	78.1
456.35590	1.0
587.39215	1.7
918.55200	0.5
930.21674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27840	0.1
69.03428	2.3
70.15255	0.1
71.04996	0.1
73.02914	0.2
77.03909	0.6
79.05489	1.2
81.03416	1.8
85.02898	5.8
85.06537	0.6
85.58412	0.1
91.05459	0.1
95.04967	2.2
97.02885	1.5
99.04454	0.6
103.03956	0.3
105.04510	1.2
107.04948	100.0
108.05282	0.5
109.02870	3.3
115.03982	0.1
119.04883	0.1
127.03910	5.4
133.04918	0.1
137.05998	0.1
145.04959	1.3
145.08575	0.8
149.05887	0.1
152.44965	0.1
163.06157	0.1
169.04958	1.6
169.06419	0.1
187.06009	2.8
191.07378	0.1
191.09100	0.4
197.49118	0.1
205.07060	15.4
206.07391	0.1
213.09117	1.0
215.06958	0.1
233.08047	0.1
271.08145	0.2
275.09204	0.1
293.10120	0.1
297.13345	0.5
299.11148	0.1
311.11331	0.4
331.10126	0.1
349.11221	0.3
359.13272	0.2
365.10992	0.1
367.12299	1.4
377.14175	0.3
395.15512	0.8
458.88611	0.1
473.16544	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	949.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09222	0.3
78.48248	0.3
79.50883	0.3
87.12480	0.3
89.32616	0.3
182.80745	0.3
254.45604	0.3
387.65219	0.3
525.99292	0.3
617.13879	0.3
665.04041	0.3
712.94464	0.3
949.54950	100.0
950.54883	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	950.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.9
68.99789	1.3
69.03434	6.9
69.07075	4.2
71.05010	1.0
73.02930	0.9
78.06586	0.9
81.03427	2.8
81.07056	2.6
82.38015	0.9
83.01364	1.1
85.02905	31.4
85.06551	4.7
87.04524	0.9
91.03951	1.8
91.05476	1.8
95.04956	2.1
97.02880	8.9
99.04463	1.7
103.03951	2.6
103.54475	1.0
105.07033	2.0
109.02872	4.4
111.04456	3.2
115.05465	1.6
117.07034	1.0
119.04977	3.9
119.08615	1.4
123.04432	7.3
127.03917	27.1
127.04869	1.3
133.06494	12.0
137.45901	0.9
139.03896	27.1
145.04965	16.9
145.06174	1.7
145.06413	1.4
147.04408	9.4
147.08040	8.3
149.05998	3.1
151.03952	1.7
153.01849	2.3
153.05507	2.6
154.02206	1.2
155.03391	78.3
157.06558	1.4
160.05115	0.9
161.02399	2.0
161.05977	20.0
161.09636	1.3
163.03905	3.2
163.06036	8.7
163.07547	4.5
165.05481	36.0
169.04929	1.6
171.08080	1.4
173.09729	1.5
175.03915	0.9
175.07571	9.9
177.05504	2.3
179.03412	16.8
179.07028	77.8
179.51553	1.0
185.05943	2.1
189.05518	2.1
189.09070	4.4
193.04955	1.7
193.08656	2.7
203.07059	4.7
203.14339	8.4
205.04961	3.1
213.12912	2.2
221.04463	15.0
221.07979	1.3
221.15422	3.5
231.13803	23.5
231.16020	1.5
245.04500	2.6
245.08078	2.1
245.15384	1.0
247.59184	0.9
249.14865	100.0
255.13861	1.2
263.05551	1.3
267.15918	69.2
273.14877	6.5
281.06540	5.0
285.16977	24.7
287.05411	1.0
291.15872	10.7
303.05087	1.1
309.16971	6.9
315.15900	5.2
325.11310	10.2
333.16977	10.9
351.17987	14.5
357.17026	3.6
375.17996	8.4
393.19095	10.2
411.20059	6.3
429.21112	3.0
551.09973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.3
68.99789	0.6
69.03436	3.0
69.07061	2.5
71.04990	0.4
71.41572	0.3
73.34778	0.2
79.05482	1.2
81.03414	1.4
81.06611	0.5
81.07054	3.9
83.08596	0.6
85.02904	14.6
91.03947	0.8
91.05492	0.5
93.07045	0.7
96.20850	0.3
97.02897	4.5
97.06528	0.9
99.04453	0.7
107.08575	0.3
109.02877	1.2
109.06499	0.8
111.08109	1.5
119.08605	0.4
123.04429	0.6
125.02338	1.0
127.03915	5.5
131.08582	1.1
135.08040	1.3
139.03897	4.0
141.01822	0.9
141.06999	0.7
143.03407	4.0
145.04964	8.0
145.06569	0.5
149.02344	0.9
149.09608	1.5
153.01848	0.8
155.03389	37.3
159.02963	0.7
159.04440	0.7
159.08043	2.4
161.05989	0.5
162.07423	0.3
163.03932	2.3
163.06015	3.7
163.07402	0.5
164.04771	0.3
165.01830	0.5
165.05487	0.7
167.03409	1.3
169.01335	5.8
169.06430	1.2
171.02884	71.9
177.05449	0.8
177.09114	3.7
179.03386	0.4
180.08643	0.3
181.01376	1.7
181.04933	0.9
181.08565	0.7
183.02786	0.4
187.02362	0.4
187.07555	4.8
189.09163	1.1
191.07043	0.4
192.04126	0.5
195.10149	2.4
197.05980	1.8
205.06651	0.6
205.08601	16.4
207.06540	1.2
215.07024	3.7
223.09653	18.8
224.10060	0.4
233.05717	0.6
233.06293	0.4
233.08078	16.2
251.09146	12.4
269.10205	28.3
270.10703	0.4
287.11246	100.0
288.11578	0.7
289.09164	0.8
325.11337	3.5
449.16629	1.4
618.90094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.5
68.99778	0.6
69.03423	2.8
69.07056	2.0
71.01325	0.4
71.04952	0.6
71.44531	0.4
73.02890	0.6
79.05479	0.9
80.92454	0.4
81.03400	1.5
81.07053	4.7
83.08631	0.5
84.33952	0.4
85.02900	18.4
91.03942	0.6
91.05483	0.5
93.07024	0.6
95.08613	0.4
97.02891	5.1
97.06518	1.2
99.04433	0.8
107.08531	0.8
109.02856	1.5
109.06503	0.6
111.08061	1.4
115.85213	0.4
123.04438	0.9
125.02345	1.0
125.85394	0.4
127.03915	5.3
128.91782	0.4
131.08534	1.1
135.08040	1.6
139.03876	4.5
141.01808	1.1
141.06970	0.6
143.03398	4.0
145.04947	8.8
145.06148	0.7
145.06551	0.5
149.02283	1.3
149.09595	1.8
153.01753	0.8
155.03378	40.5
159.02853	0.7
159.08029	2.5
161.05992	0.4
163.03885	1.7
163.06007	4.0
163.07344	0.7
167.03416	1.2
169.01315	6.5
169.06468	0.9
169.09250	0.4
171.02872	75.4
172.03242	0.8
177.05449	0.8
177.09099	3.6
181.01346	1.5
181.04964	0.8
181.08513	0.7
187.07507	4.9
189.09116	1.6
191.07008	0.4
195.10135	3.0
197.05936	1.4
205.08586	20.2
207.06499	1.4
215.07057	3.3
223.09639	19.5
233.08063	14.0
251.09140	12.8
251.11127	0.3
252.09360	0.5
257.26944	0.5
269.10172	33.9
287.11227	100.0
288.11609	0.6
289.09097	0.5
325.11252	3.6
449.16205	0.8
827.11401	0.4
900.62512	0.4
935.31433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	100.0
69.82455	0.7
71.40202	0.6
87.04490	1.2
99.94116	0.7
101.06007	1.5
105.03466	0.7
106.74928	0.7
117.62907	0.7
129.05508	2.6
155.07033	43.6
187.09631	0.8
215.09167	9.3
230.98032	0.7
241.10663	6.3
301.12787	4.8
319.13702	1.0
327.14240	1.4
345.15463	1.3
429.25797	0.8
486.89627	0.7
568.07599	0.8
809.83429	0.8
899.55408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52287	3.2
74.21355	0.7
100.11516	0.8
101.11410	0.9
127.03933	1.6
131.22054	0.8
134.96117	1.5
139.03905	1.1
149.16911	0.8
152.82098	0.9
161.70558	0.8
164.93579	1.1
179.03427	0.9
182.93794	1.0
186.92853	0.8
200.94722	0.9
225.45056	0.8
263.05511	1.0
268.94598	39.4
286.94962	2.1
287.05612	0.9
304.95917	1.3
328.96249	1.0
363.71991	1.0
370.93854	0.9
381.08069	1.4
391.91202	0.8
611.05347	5.7
634.18665	0.8
647.08136	6.0
649.09546	19.2
649.19745	1.6
650.10663	0.9
767.10199	2.2
774.77661	0.9
859.32660	0.9
953.15161	100.0
954.16144	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	954.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	59.4
69.07072	9.4
69.37225	17.3
69.37616	20.6
79.05505	45.3
81.07047	64.0
85.02913	14.2
91.03947	15.4
91.05460	29.8
93.07034	54.5
95.06172	8.8
95.08607	85.2
95.36910	7.3
97.02884	11.4
98.22598	9.3
105.07003	13.2
107.08599	25.2
109.10141	31.5
119.08581	12.2
121.10144	34.6
123.11681	21.6
131.08539	12.9
133.10167	16.8
135.11722	26.2
145.10127	24.3
161.13278	9.7
234.92593	8.4
259.20499	11.6
261.22104	22.8
277.84784	9.0
282.91864	9.4
335.25781	100.0
378.25574	10.1
595.46564	23.8
613.48108	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.8
69.07084	0.4
69.25517	1.8
71.04996	1.0
73.02917	2.5
73.06555	3.2
81.07080	0.4
85.02869	0.5
87.03916	0.6
87.04467	27.7
89.06030	100.0
91.07585	0.9
93.07077	0.6
95.04980	0.6
98.22600	0.4
107.07063	2.4
113.06017	1.8
115.07574	0.6
117.09129	3.6
119.08590	0.9
129.70505	0.5
130.08635	1.3
131.07039	7.2
133.08606	68.8
135.10172	0.4
137.05992	0.9
137.09569	0.9
157.08655	0.6
159.10185	1.0
161.11751	1.0
163.11195	0.6
169.63118	0.4
175.09660	5.7
177.11215	25.9
183.53368	0.4
201.11108	0.7
219.12256	3.0
221.13811	4.9
223.15338	0.8
239.14871	0.8
257.13937	0.9
265.16443	1.5
267.18076	0.6
283.17517	1.5
287.38315	0.4
309.18964	1.2
327.19980	0.5
341.91238	0.4
387.16089	0.6
397.24265	1.1
465.24704	0.5
472.95151	0.4
485.29532	0.7
487.17099	0.4
544.61621	0.5
569.25647	1.1
749.01685	0.4
943.55524	1.7
960.58588	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	0.2
67.05507	4.2
67.53416	0.3
68.99770	0.4
69.03431	3.9
69.07072	0.9
69.21800	0.5
69.22203	1.2
70.64582	0.3
71.01328	0.3
71.04987	1.0
73.02921	0.7
79.05480	2.0
81.03419	1.9
81.07050	2.2
83.01349	0.3
83.04979	0.5
83.08601	0.8
85.02905	20.6
85.10184	0.4
85.39323	0.3
87.04465	0.7
91.03942	1.0
91.05474	1.4
93.03417	0.7
93.07052	1.0
95.04958	0.9
95.08609	2.7
97.02888	5.7
97.10177	0.7
99.04462	1.0
103.03970	0.6
105.07028	1.2
107.04951	1.0
107.08570	1.3
109.02883	2.2
109.06497	0.5
109.10140	2.4
111.04452	6.8
111.08090	0.3
114.22823	0.3
115.05461	0.6
117.07028	0.3
119.04929	1.8
119.08575	1.8
121.02862	0.5
121.06487	0.4
121.10136	0.4
123.04427	7.8
123.08081	0.5
125.02302	0.4
127.03915	6.6
128.06241	0.3
129.05539	0.3
129.07016	1.0
131.04933	0.4
131.08554	0.7
131.69035	0.3
133.02855	0.4
133.06483	2.5
133.10115	0.7
135.04427	0.6
137.05984	1.8
137.09554	0.4
139.03899	49.4
140.04193	0.4
143.04930	0.3
143.08537	0.6
145.04959	9.7
145.10104	0.6
146.05315	0.4
147.04411	7.0
147.08023	1.5
147.11681	1.5
149.05995	3.2
151.03882	2.2
151.07527	0.5
153.01862	1.7
153.05482	3.6
155.03386	6.5
157.06462	0.5
157.10152	0.7
159.04451	0.5
159.08101	0.6
160.05258	0.4
161.05974	6.2
161.09715	0.4
161.13246	1.2
162.07726	0.3
163.03911	7.9
163.06010	5.1
163.07523	2.2
165.01846	0.4
165.05478	13.9
165.12790	0.4
167.03391	1.0
167.07065	0.7
171.08105	0.8
171.11674	3.0
173.06000	0.4
173.09653	0.5
173.13376	0.3
175.03951	0.7
175.07542	3.5
175.11166	0.8
177.05493	2.9
177.09114	0.5
179.03415	3.2
179.07019	10.3
179.14351	0.3
180.08633	0.3
181.04973	1.0
181.10197	0.5
185.05988	0.5
189.05435	1.7
189.09152	1.5
189.12729	4.3
189.14320	0.4
191.07047	0.5
193.04984	0.6
193.08595	0.8
193.12187	0.7
199.07487	0.4
199.11163	3.3
199.12743	0.4
201.12843	0.3
203.03435	0.7
203.07077	1.0
203.10646	0.8
205.04944	3.4
207.06544	0.4
207.13847	2.4
217.04999	0.4
217.12239	18.3
219.13768	0.8
219.87938	0.3
221.04437	1.9
227.07098	0.3
227.10672	1.8
229.05008	1.2
229.12233	0.4
231.06506	0.7
235.13275	5.4
241.12291	0.5
245.04352	0.6
245.11755	5.3
255.13612	0.4
259.13281	0.4
263.05508	0.6
263.12775	13.9
264.13272	0.3
271.08014	0.4
273.14777	0.3
281.13828	100.0
282.14175	1.1
283.13269	0.7
287.12939	0.7
289.09204	0.6
299.14890	29.9
301.14380	0.9
303.12515	0.4
305.13800	3.0
311.12589	0.5
323.14841	3.8
325.11240	4.4
325.14502	0.4
329.13785	2.9
343.15399	0.5
347.14859	6.2
353.13535	0.8
365.15964	12.4
371.14874	3.8
389.15945	5.9
407.16998	4.8
425.18103	2.9
443.19046	0.9
461.20569	0.4
542.47607	0.3
567.65625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.6462
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.6
69.07062	0.6
69.19402	1.9
71.04990	0.6
71.08629	1.3
73.02912	3.4
73.06551	5.0
77.03923	0.6
79.05480	1.0
81.07009	0.5
83.04983	0.6
87.03916	0.6
87.04466	35.3
89.06029	100.0
90.04678	0.4
91.05472	9.5
91.07561	0.6
93.07048	4.3
95.04974	3.4
95.08602	0.6
97.06541	0.5
98.22639	0.8
103.05457	2.0
105.04514	1.2
105.07034	2.0
107.04970	1.2
107.07066	1.6
107.08560	2.7
109.06507	1.3
113.06011	2.0
113.13304	0.9
115.05446	0.7
115.07558	0.9
117.07044	2.2
117.09138	4.6
118.07792	5.3
119.04923	3.9
119.08582	5.5
121.06500	18.2
121.10164	1.3
123.08076	1.1
127.90227	0.3
129.07005	0.7
130.08635	1.7
131.07036	16.2
131.08537	0.7
133.08600	68.6
135.08044	5.0
135.11665	1.9
144.09303	0.5
145.06505	0.7
147.08040	11.3
147.09154	0.7
149.09627	4.5
149.13248	1.0
150.06773	3.9
151.09674	0.5
157.08600	1.0
159.10304	0.8
159.11699	2.0
161.09634	0.6
161.11729	1.3
163.07613	0.9
163.11209	2.0
165.09093	5.6
167.10727	1.9
173.09624	0.9
175.09671	12.0
175.11154	1.0
177.11227	30.5
177.12680	2.3
179.10768	0.6
189.09209	0.6
191.10661	3.2
193.10736	0.8
193.12318	1.8
195.12352	0.4
201.11235	0.7
203.12793	0.5
207.10304	0.6
207.13838	0.5
209.11717	2.1
211.13316	2.7
217.12225	0.7
219.12254	4.7
219.13857	0.4
221.13837	6.7
223.15402	0.9
231.17467	0.6
233.18999	18.1
235.13324	3.2
237.15060	1.0
239.14955	0.9
247.20634	1.0
253.14423	0.9
255.15913	2.8
259.20551	4.8
259.22778	0.5
263.14948	0.7
265.16400	2.8
267.18069	1.0
275.20285	0.7
275.23712	1.4
277.21619	27.2
279.16058	1.4
283.17557	1.7
297.17142	0.6
299.18533	1.8
303.23245	3.5
309.19012	2.1
319.22891	1.6
321.24265	7.3
323.18427	0.7
327.20200	1.1
343.21164	0.4
353.21866	1.3
397.24472	1.6
441.27203	1.1
459.28003	0.5
482.42487	0.4
482.50436	0.5
485.29633	0.7
843.49072	0.8
955.61969	5.5
972.64563	22.3
973.64569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.6468
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.3
71.05009	0.6
73.02918	2.0
73.06571	3.4
87.04469	49.6
89.06031	100.0
91.05479	1.3
91.07580	0.8
95.04964	1.2
107.04987	0.9
107.07078	2.4
113.05997	3.0
117.09142	2.9
119.08553	0.8
121.06503	2.7
130.08636	2.9
131.07043	15.2
133.08603	80.1
135.10170	0.7
145.06522	1.1
145.10069	0.6
147.08069	3.5
149.09612	1.3
157.08635	1.2
161.11693	1.0
163.11182	0.6
173.09645	2.2
175.09683	14.7
175.11098	1.1
177.11217	34.6
179.12761	0.7
191.10678	1.0
193.12222	1.4
209.11745	1.0
217.12238	1.0
219.12247	6.1
221.13869	6.2
223.15387	1.0
229.15157	0.6
233.18962	2.1
235.13313	0.6
237.13246	1.1
239.14862	1.2
241.43967	0.5
257.19089	0.5
259.20523	2.5
263.14847	1.3
265.16437	2.0
277.21460	1.0
279.15979	0.6
283.17459	2.3
299.18582	1.3
303.23160	2.2
305.24789	0.7
309.19003	1.2
321.24094	0.8
327.20102	0.8
343.21051	0.9
347.25531	1.0
353.21677	0.6
397.24097	0.7
619.92651	0.8
769.08221	0.6
808.11932	0.7
850.17755	0.6
955.61792	0.9
972.65167	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	977.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01089	0.5
87.04491	0.6
89.06034	1.9
90.06374	0.6
96.05514	0.2
97.02649	0.3
98.23509	0.5
111.04189	1.6
112.05013	0.3
121.06558	0.4
122.06878	0.2
125.05790	0.4
126.06597	0.3
127.03666	1.0
131.07048	0.3
132.07472	0.2
133.08592	1.3
134.08965	0.3
135.09082	0.3
139.07382	0.6
140.08081	0.2
141.05226	0.3
142.06013	0.2
147.08144	0.2
148.08493	0.2
155.06772	1.7
169.08412	0.2
170.09149	0.4
171.06319	1.0
172.04297	0.3
177.11301	0.2
178.11681	0.2
183.09982	0.5
185.07944	0.4
186.08682	0.4
199.09402	1.8
200.10271	0.3
213.11041	0.4
215.09055	0.8
227.12700	0.6
229.10710	0.4
243.12067	1.6
257.13770	0.4
259.11682	0.4
262.70294	0.2
271.15179	1.4
273.13037	0.2
278.21960	0.3
287.14767	1.6
301.16422	0.2
303.14270	0.5
315.17865	0.7
331.17148	1.3
347.17120	0.7
375.19888	1.3
391.19427	0.4
397.36923	0.2
403.23541	0.3
407.04684	0.2
419.22797	0.9
425.37302	0.2
433.24063	0.2
435.22281	0.7
463.24991	1.5
479.24948	0.9
507.28091	0.7
523.27374	0.8
526.19128	0.2
551.30322	1.3
567.30316	0.8
595.33063	0.4
602.23883	0.2
611.33063	0.8
639.35767	1.2
655.35455	0.7
683.38196	0.6
699.37823	0.8
708.29199	0.3
727.40369	1.0
743.40594	0.3
905.50659	0.7
906.50531	0.3
977.60168	100.0
978.60358	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	978.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99774	1.8
69.03427	6.7
69.06767	0.4
69.07070	4.5
71.04994	0.8
71.08631	1.8
73.02902	1.3
77.03925	0.3
79.05489	1.4
81.03413	4.3
81.07057	4.7
83.01331	0.5
83.04984	0.8
83.08614	3.0
85.02902	36.8
85.10181	2.6
87.04466	0.6
91.03947	1.7
91.05473	3.1
93.03399	1.1
93.07037	1.2
95.04960	2.6
95.08611	5.9
97.02892	11.0
97.10166	1.9
99.04430	1.1
99.08081	0.4
103.03926	1.1
105.03377	0.6
105.07037	2.5
107.01229	0.4
107.04920	1.7
107.08591	0.7
109.02876	4.7
109.06509	1.7
109.10137	2.0
111.04433	6.3
111.70897	0.3
113.09625	1.4
115.03874	0.7
115.05439	1.4
117.06992	1.2
119.04942	3.4
119.08595	2.2
121.02851	1.6
121.06483	0.8
121.10146	0.5
123.04426	22.3
123.08067	0.5
123.11717	0.4
125.02319	0.6
127.03910	30.3
127.11170	0.5
129.06975	0.9
131.04880	0.4
131.08521	0.5
133.02869	1.1
133.05531	0.7
133.06487	10.1
133.10132	1.5
134.06656	0.3
135.04408	1.1
135.08044	1.0
135.11703	0.4
137.02312	0.8
137.05978	3.6
137.09573	0.4
137.13284	0.3
139.03896	73.6
143.03365	0.3
143.04915	0.4
143.08548	0.7
145.04951	15.4
145.06453	1.4
145.10121	0.5
147.04411	7.8
147.06868	0.5
147.08038	8.6
147.11681	0.6
149.05965	3.7
149.09543	0.6
151.03908	5.0
151.07530	1.9
151.14822	0.6
153.01826	5.2
153.02913	0.5
153.05450	5.1
155.03383	74.8
156.09938	0.3
157.06459	1.2
157.10185	0.5
159.08041	0.4
160.05171	0.7
161.02339	1.4
161.05977	15.7
161.09601	2.2
163.03905	21.3
163.06010	7.9
163.07530	4.6
165.05472	30.5
165.09097	1.0
167.03403	1.2
167.07028	1.0
169.04973	1.1
171.08022	0.6
171.11703	0.5
173.05954	0.6
173.09634	0.8
175.03923	1.5
175.07526	5.7
175.11159	0.5
175.14841	0.4
176.04668	0.3
177.05453	4.5
177.09032	1.7
179.03421	17.0
179.07019	43.0
181.04930	0.6
181.08551	0.4
185.05951	1.2
185.09651	0.7
187.07530	0.4
187.11174	0.4
189.03749	0.5
189.05447	3.7
189.09105	3.2
189.16360	0.5
191.03479	0.7
191.07013	0.6
191.10611	0.4
192.04205	0.6
193.04970	2.0
193.08635	3.2
195.10178	0.4
199.03889	0.5
199.07573	0.5
201.05443	0.5
201.09123	0.4
201.12711	0.4
203.03464	0.9
203.06960	3.9
203.10635	1.6
203.17938	1.3
205.04964	10.7
205.08530	0.4
207.06567	0.5
207.10184	1.0
209.04425	0.9
213.09151	0.3
213.16475	0.6
215.07027	0.5
217.04993	1.8
217.08554	1.0
219.06511	0.6
221.04451	14.5
221.11630	0.4
221.18983	2.2
227.03389	0.4
229.04918	2.4
231.06544	1.9
231.10147	0.4
231.17435	8.8
233.04355	0.5
235.06039	0.7
241.15846	0.8
245.04456	4.6
245.08026	2.4
247.06030	1.6
249.18491	14.7
251.05435	0.9
259.09677	0.3
259.16931	10.5
263.05502	3.6
265.07135	0.6
269.07947	0.4
273.18512	0.9
275.05560	0.4
277.17981	31.0
281.06570	1.0
283.17096	0.8
287.09052	0.4
289.09207	1.1
293.06647	0.4
295.19025	80.5
296.19348	0.9
297.18552	0.7
301.18002	2.0
307.19040	0.4
313.20078	100.0
314.20428	1.2
315.19479	0.9
319.19012	5.7
325.11258	8.6
325.20319	0.5
337.20059	18.3
339.19733	0.4
343.19055	2.7
357.20541	0.7
361.20078	6.8
367.18970	0.8
373.20108	0.5
375.21500	0.6
379.21127	32.7
380.21530	0.4
385.20142	3.4
391.21127	1.0
403.21140	11.4
421.22198	15.4
439.23257	5.1
457.24286	4.9
475.25278	1.2
481.09766	0.9
886.88336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99766	0.5
69.03422	2.9
69.07066	1.5
69.68966	0.3
69.69315	0.7
71.04990	0.6
73.02902	0.5
79.05482	1.8
81.03419	1.6
81.07066	1.5
83.01328	0.3
83.04983	0.3
83.08622	0.4
85.02903	16.4
87.04454	0.6
91.03941	0.7
91.05485	1.2
93.03391	0.6
93.07034	1.5
95.04974	0.4
95.08612	1.8
97.02895	4.7
97.06514	0.4
97.10167	2.5
99.04443	0.8
103.05412	0.2
105.07044	0.3
107.04942	0.8
107.08575	1.7
109.02858	1.5
109.06599	0.2
109.10164	2.1
111.04464	0.4
113.02396	0.2
115.03921	0.2
117.06996	0.8
119.08562	1.0
121.06474	0.6
121.10116	1.1
123.04446	1.0
123.96445	0.2
125.02353	1.4
127.03915	6.3
127.04861	0.4
129.06956	0.3
131.04932	0.7
131.08549	0.6
133.02818	0.3
133.06543	0.3
133.10075	0.3
135.04382	0.7
135.08107	1.2
135.08916	0.2
135.11665	0.6
137.09586	0.8
139.03883	6.5
141.01833	2.1
141.06950	0.4
143.03381	3.1
145.04951	8.1
145.06448	1.1
145.10129	0.2
147.04353	0.6
149.02362	1.7
149.05943	1.4
149.09657	0.3
149.13245	0.4
151.03893	0.3
153.01775	1.0
153.05424	0.8
155.03383	58.4
159.02977	0.4
159.04416	1.4
159.08112	0.3
159.11658	1.7
161.09534	0.3
162.07610	0.3
162.11232	0.2
163.03911	6.0
163.06007	4.5
163.07501	1.1
163.11154	0.7
165.05493	2.7
167.03430	1.6
167.07034	0.7
169.01347	1.7
169.04950	2.2
169.10124	1.2
171.02878	47.6
173.06024	1.0
173.09581	0.5
175.03873	1.0
177.05463	3.5
177.09138	0.3
177.12733	1.9
179.03419	2.8
179.07025	0.9
179.08479	0.3
180.08702	0.4
181.01321	0.7
181.04939	6.2
181.08572	0.2
183.02921	0.3
183.06509	0.6
187.07504	0.6
187.11163	2.6
189.09047	0.3
190.87434	0.2
191.03337	0.3
191.07008	2.2
191.10626	0.7
193.04959	1.0
195.06512	5.2
197.04378	0.5
197.09610	1.1
201.09157	0.3
205.04933	0.3
205.12239	5.8
209.08107	0.3
209.11598	0.3
214.39197	0.2
215.07297	0.3
215.10664	4.8
215.12769	0.2
219.06575	0.4
223.13300	2.3
225.09047	0.8
228.75758	0.2
233.11716	16.2
243.10179	2.1
251.12772	9.5
261.11209	10.4
279.12283	11.2
289.09177	0.7
297.13315	58.6
298.13657	0.6
315.14362	100.0
316.14758	1.0
325.11267	2.9
365.89566	0.2
419.98120	0.2
477.19794	0.8
639.69147	0.2
667.64856	0.2
870.44281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	3.2
71.04983	0.6
71.46593	0.2
77.03911	0.5
79.05490	1.8
81.03416	4.1
85.02903	2.5
95.04964	4.0
97.02902	1.2
99.04446	5.3
103.03947	1.7
103.88286	0.2
105.04512	1.4
107.04951	100.0
108.05286	0.5
109.02875	9.3
123.04370	0.3
127.03912	35.3
137.05942	0.3
139.03899	0.5
145.04965	1.9
161.05960	0.2
163.07547	0.3
167.07028	1.0
169.04962	3.8
181.04909	0.5
187.06023	7.8
213.09073	0.6
217.96896	0.2
229.07068	15.2
247.08128	41.2
315.94910	0.2
353.12402	1.5
409.13232	0.4
417.15436	0.3
419.15350	0.4
424.25964	0.2
558.13239	0.2
593.64081	0.2
726.32404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.4
69.03419	0.8
73.02932	0.4
79.05489	0.2
81.03422	0.6
81.04898	0.2
82.04214	0.2
85.02901	3.3
87.00828	0.5
88.55682	0.2
88.81432	0.2
91.05489	0.7
93.03387	0.3
95.04987	0.3
97.02905	0.7
103.03924	1.6
103.05488	0.2
105.01873	0.6
105.03404	0.6
107.04957	0.8
109.02825	0.5
111.04428	0.3
119.04914	0.6
121.02866	2.5
123.00803	0.7
124.01581	0.3
125.02417	0.2
125.06006	0.3
127.03922	0.9
131.04942	1.0
133.02849	1.3
135.04417	0.4
137.02335	0.7
137.03410	0.2
138.03123	1.6
139.03906	0.4
143.03311	0.2
145.02815	0.4
145.04950	0.4
147.04395	0.9
149.02339	3.1
149.34535	0.2
150.03114	6.7
151.03912	0.7
152.01039	2.1
153.01816	3.6
153.03043	0.3
153.05449	1.4
159.04401	1.9
161.02336	1.2
162.03142	0.7
163.03905	3.3
165.01846	0.6
165.05464	1.9
166.02608	1.9
167.03366	0.4
171.04424	0.3
173.02377	0.4
175.03937	1.3
176.04652	0.7
177.01825	10.7
177.05382	1.0
178.02563	0.4
179.03394	1.4
179.07002	0.3
180.00539	1.5
181.01350	0.4
181.04942	4.9
181.06415	0.4
187.03909	1.2
189.01784	1.5
190.02608	1.0
191.03383	7.2
191.06972	0.2
193.01279	0.6
193.05000	1.0
194.02098	12.4
195.02885	6.8
197.04398	1.0
199.03868	0.5
201.01834	0.7
202.02599	0.2
203.03421	0.6
204.04169	0.9
205.04948	3.1
206.02223	0.3
207.02878	1.8
207.06517	0.4
208.03561	0.3
209.04445	100.0
210.04771	0.7
211.02400	0.4
215.03412	1.0
216.04106	0.5
217.01295	4.3
217.04727	0.3
218.02081	0.7
219.02924	2.4
219.06528	1.9
221.00786	0.4
221.04378	1.7
223.02388	0.2
223.05951	1.2
225.03926	0.3
229.01376	0.5
229.05013	0.5
231.02872	0.9
232.03543	0.7
233.04453	4.4
235.02368	3.4
237.03925	0.5
239.11853	0.3
243.02879	0.6
245.00792	4.0
245.04572	0.3
246.01614	0.3
247.02376	2.8
247.06007	3.1
249.03905	0.2
251.05521	8.8
257.00854	0.6
257.04425	0.8
260.03189	1.1
263.01819	1.5
263.05457	1.1
265.14423	1.4
273.00311	2.7
273.03207	0.4
275.01920	1.4
275.05478	7.8
281.06558	0.5
287.14102	0.4
291.01340	2.4
291.04459	0.4
293.03220	0.4
293.06525	4.7
300.99744	1.5
303.01266	0.4
307.15430	0.7
311.07574	2.1
319.00827	5.0
327.13400	0.2
329.08643	3.3
331.15613	0.2
333.02286	0.5
337.01883	2.8
349.16696	0.5
361.01877	2.4
379.02884	1.4
393.04330	0.8
403.02927	1.3
421.04010	3.9
425.05106	0.3
439.05051	4.1
457.06085	2.2
468.21478	0.4
509.03235	1.6
523.06268	0.3
527.04437	3.2
541.75677	0.2
545.05322	0.3
583.06915	0.5
593.05017	0.9
601.08075	1.0
611.06927	2.3
629.07654	6.8
647.08734	5.9
665.09790	3.6
731.10529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.418
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99777	0.8
69.03426	4.2
69.07063	3.8
69.16105	0.9
69.16506	0.5
69.38388	0.2
71.01358	0.5
71.04969	0.3
71.08635	1.2
73.02905	0.9
79.05476	2.4
81.03412	2.4
81.07056	6.1
83.01337	0.3
83.04966	0.8
83.08624	1.4
85.02902	22.0
85.06523	0.4
87.04472	0.3
91.03961	1.2
91.05471	2.5
93.03389	0.8
93.07037	1.9
95.04967	1.3
95.08599	4.6
96.14922	0.2
97.02889	7.2
97.06535	0.6
97.10159	0.5
99.04442	0.9
99.08109	0.3
103.03931	0.6
105.07060	1.9
107.04948	1.6
107.08575	1.0
109.02856	2.1
109.06516	0.7
109.10129	1.1
111.03661	0.4
111.04438	8.7
111.08067	0.3
111.11716	0.6
115.03871	0.4
115.05433	0.6
117.07005	0.7
119.04951	1.4
119.08586	1.6
121.02867	1.4
121.06486	0.9
121.10139	2.0
123.04427	15.4
123.08067	0.6
123.11683	0.7
125.05952	0.3
125.09681	0.3
127.03918	7.0
129.06987	0.8
130.57092	0.3
131.04916	0.6
131.08595	0.8
133.02867	0.3
133.06480	2.4
133.10132	1.6
135.04410	1.1
135.08055	0.9
135.11685	2.7
137.02339	0.6
137.05975	2.6
137.09657	0.4
137.13242	0.7
139.03896	69.2
143.04860	0.4
143.08498	0.7
145.04959	10.7
145.06454	1.0
145.10121	0.4
147.04408	7.5
147.08041	2.0
147.11674	1.1
149.05984	4.4
149.09673	0.4
151.03891	3.5
151.07515	1.1
153.05458	2.9
155.03386	4.0
157.06439	0.5
157.10150	0.7
159.04478	0.3
159.08028	0.6
160.05182	0.4
161.05977	6.4
161.09596	1.0
161.13367	0.4
162.07639	0.4
163.03899	10.2
163.06012	6.3
163.07524	4.9
165.01793	0.5
165.05475	16.4
165.09103	0.5
165.12697	0.4
167.03351	0.6
167.07051	1.9
167.08287	0.3
171.08029	0.5
173.05981	1.2
173.13313	0.4
175.03867	0.6
175.07532	3.3
175.11186	0.3
175.14821	0.4
177.01903	0.3
177.05455	2.8
177.09084	1.5
179.03436	3.4
179.07018	12.8
180.08727	0.5
181.04944	0.7
181.08591	0.7
181.10088	0.4
185.05966	0.6
185.09599	0.7
185.13272	0.8
187.03941	0.4
187.07582	0.8
187.11142	0.3
189.05479	2.0
189.09062	2.3
189.12833	0.3
189.16365	0.7
191.03348	0.4
191.07042	3.2
193.04930	0.7
193.08595	1.7
199.07532	0.4
199.14781	1.5
201.12778	0.4
203.03387	0.3
203.07004	1.2
203.10632	0.6
203.14270	0.5
205.04942	3.7
205.08618	0.8
207.06436	0.3
207.10066	0.6
207.17473	0.5
209.04427	0.7
209.13190	0.6
213.05522	0.3
213.09229	0.3
217.05005	0.6
217.08641	0.6
217.15865	4.1
221.04414	1.9
227.14291	2.6
229.04979	1.8
231.06444	0.5
231.10068	0.5
235.16931	4.1
245.04408	1.1
245.08069	0.5
245.15364	10.3
247.05920	0.6
255.13751	1.3
263.05582	0.4
263.16422	10.1
269.15411	0.3
271.07840	0.3
273.14865	3.1
283.16928	0.3
287.16360	0.5
289.09183	0.5
291.15891	41.7
292.16321	0.6
301.17923	0.3
307.10422	0.3
309.16943	100.0
310.17276	0.8
311.16556	0.8
315.15906	0.4
325.11267	4.9
327.18008	31.7
329.17465	1.1
333.16925	5.5
339.15665	0.4
351.17966	5.2
353.17371	0.6
357.16962	2.4
371.18420	0.4
375.17999	7.1
381.16986	1.9
389.19495	0.4
393.19052	10.8
399.18018	4.8
417.19086	8.1
435.20169	6.6
453.21158	3.9
471.22141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5757
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61929	0.2
73.42167	0.1
74.30299	0.1
87.17294	0.1
91.57543	0.1
99.76911	0.2
126.93555	0.1
140.72791	0.2
153.15291	0.1
172.23730	0.2
176.44380	0.1
770.05664	0.2
993.57532	100.0
994.57733	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	993.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06670	1.3
69.07078	0.7
76.58510	0.3
85.10568	0.3
85.20333	0.3
96.08670	0.3
98.23479	0.5
137.18332	0.3
187.68466	0.3
202.58719	0.3
223.60124	0.3
307.71622	0.3
339.78461	0.3
575.99335	0.3
993.57550	100.0
994.57715	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	101.0244
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
54.54993	2.8
55.01877	56.5
57.03447	76.6
59.01374	66.4
68.99803	4.8
71.01379	18.4
73.02940	100.0
74.03296	2.6
83.01395	17.2
84.04553	7.2
86.00082	7.3
99.92575	10.3
100.93349	10.6
100.94611	9.8
101.02441	78.0
101.06078	3.6
102.05601	48.8
115.92040	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	1019.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
78.00679	0.4
78.01106	5.8
82.20096	0.2
84.02128	0.3
96.99302	1.1
102.43748	0.2
111.00864	0.6
114.73840	0.2
118.84474	0.2
124.98781	0.8
125.99580	5.7
137.99594	1.2
139.00363	3.5
140.01123	0.9
140.98299	0.4
152.01164	0.3
161.61057	0.2
179.18044	0.6
195.17529	2.9
197.19106	1.9
207.17552	0.3
219.17525	14.2
221.57970	0.2
225.18558	0.7
230.16054	0.2
235.16988	0.2
237.18600	0.4
251.16492	1.7
263.16333	0.3
279.16022	7.0
281.17557	100.0
282.17749	1.1
307.15555	3.4
325.16534	50.5
326.16821	0.4
343.17676	0.4
394.49475	0.2
592.89807	0.2
702.21643	0.2
767.70221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.6822
Annotation	Unknow
Peak:m/z	Relative Intensity
76.40137	0.8
77.76668	0.7
93.55815	0.7
97.06594	5.5
116.92809	1.5
139.01285	0.7
140.88098	0.8
149.09705	1.1
179.10747	1.9
182.93539	0.7
191.10719	2.3
195.43179	0.8
207.13882	1.1
222.09680	0.8
232.75792	0.8
235.13261	1.3
281.17618	1.0
335.22128	0.8
363.25397	1.0
387.32761	2.1
389.34152	1.0
399.28915	1.2
415.32126	10.2
433.27231	1.5
433.33188	26.2
443.35184	2.2
471.34961	5.0
489.35916	3.8
490.36761	2.5
507.36893	100.0
522.35706	3.4
561.97461	0.9
974.84094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	0.4
80.46289	0.3
93.03448	0.6
105.03513	0.3
109.02966	0.5
119.04998	0.3
121.02950	0.8
123.00851	0.8
123.04519	0.6
124.01639	0.6
125.02433	0.9
135.04419	0.3
136.01593	0.6
137.02434	1.7
138.03230	0.4
139.04039	0.5
145.02957	0.4
148.01596	0.3
149.02415	1.3
150.03192	1.1
151.03981	0.3
152.88118	0.3
159.50029	0.3
161.02449	1.0
162.03249	0.6
163.04073	0.3
164.01146	4.0
165.01930	2.2
165.05550	2.1
166.02670	0.6
166.99794	0.7
168.00587	0.8
174.03471	0.3
177.01923	0.9
177.05502	0.3
178.99855	1.6
181.05048	1.0
183.02965	1.3
189.01920	0.6
190.02707	1.3
190.99838	0.3
191.03459	0.5
192.00636	58.3
193.01405	40.5
194.02110	1.7
195.02972	0.4
195.06685	0.5
205.01401	1.2
205.05045	0.3
206.02235	1.3
207.02965	19.3
210.01703	1.6
221.00911	0.9
222.01639	1.2
225.04022	1.7
232.03659	0.5
234.01662	3.9
235.02449	3.5
237.04109	0.3
249.04062	1.7
295.04965	0.3
309.06091	0.4
331.00369	0.3
381.01495	0.3
392.08206	0.3
417.15469	0.8
478.07703	2.1
483.18787	0.6
484.19199	0.4
493.09854	100.0
494.10364	1.7
529.19391	0.8
531.05133	0.5
565.20844	0.6
613.22791	3.0
816.45856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	6.1
83.01385	4.3
85.02945	14.0
86.39293	0.5
87.00858	1.0
89.02443	6.7
95.01387	1.7
97.02923	0.7
98.22580	0.6
99.00873	2.2
101.01781	1.0
101.02443	18.6
102.53532	0.5
113.02438	12.1
119.03510	2.2
125.02446	1.2
128.90195	0.5
131.03522	5.2
143.03482	0.5
156.65646	0.4
159.02977	1.4
161.04543	3.4
166.02232	0.5
174.06451	0.5
177.01939	0.7
191.05637	1.0
275.07788	0.9
279.63989	0.5
293.17520	1.0
411.03854	0.4
455.35526	1.0
479.95007	0.5
587.38916	0.7
640.40039	0.5
725.12012	0.5
749.44952	2.6
911.49994	17.5
1043.54260	100.0
1044.55115	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	1045.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	3.5
82.94523	1.3
83.01375	3.0
85.02952	12.8
87.00839	1.3
89.02448	5.9
95.01416	2.0
96.96003	1.6
99.00875	2.3
101.02441	17.3
102.07722	1.3
103.47354	1.4
113.02442	10.1
119.03482	2.5
125.02399	2.3
131.03546	3.3
159.03050	1.7
161.04573	4.2
366.15149	1.5
447.76822	1.5
453.26532	1.4
555.41614	1.5
751.45978	2.9
913.51501	12.2
1045.55872	100.0
1046.56189	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	1045.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	0.3
73.02940	4.6
75.00858	0.3
81.03465	0.2
83.01381	4.1
84.02157	0.1
85.02944	14.8
86.00072	0.2
87.00871	2.0
89.02441	7.2
92.61022	0.1
93.21165	0.1
95.01379	2.0
95.47182	0.1
97.02929	0.7
99.00867	2.0
101.02438	16.7
101.53560	0.1
104.88985	0.2
108.06896	0.1
111.00857	0.2
112.01679	0.7
113.02445	12.0
116.24141	0.1
118.23898	0.1
119.02656	0.2
119.03505	2.5
125.02434	0.7
129.01920	0.4
131.02498	0.3
131.03493	4.9
131.14018	0.1
131.80420	0.2
134.05589	0.1
137.02481	0.2
143.03513	0.8
149.04500	0.1
159.02956	1.2
161.04552	3.9
179.05577	0.3
191.05624	0.6
208.67926	0.1
221.04446	0.2
221.06625	0.4
247.08093	0.2
265.14597	0.2
275.07761	1.4
437.33841	0.2
443.91928	0.2
456.40820	0.2
589.41272	0.8
633.40558	0.2
694.88202	0.2
751.46088	2.2
883.50366	0.5
895.50616	0.2
913.51569	14.0
914.52167	0.4
982.17029	0.2
1045.55811	100.0
1046.55615	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	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
55.57432	0.3
56.99802	0.4
59.01377	20.8
63.34941	0.3
71.43250	0.3
72.99305	36.7
73.99649	0.3
74.00093	0.3
75.00868	42.6
76.01205	0.6
99.04359	0.3
101.86243	0.3
103.00358	0.8
105.01931	100.0
106.02251	1.9
121.88577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57432	0.3
56.99802	0.4
59.01377	20.8
63.34941	0.3
71.43250	0.3
72.99305	36.7
73.99649	0.3
74.00093	0.3
75.00868	42.6
76.01205	0.6
99.04359	0.3
101.86243	0.3
103.00358	0.8
105.01931	100.0
106.02251	1.9
121.88577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.558
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	5.7
83.01376	3.7
85.02945	13.9
86.00092	0.5
87.00865	3.0
89.02442	6.9
94.38148	0.3
95.01371	2.2
97.02950	0.9
98.21821	1.0
99.00887	2.0
101.02439	15.6
103.04006	0.6
103.77734	0.4
112.01653	0.7
113.02446	10.6
115.04012	0.8
119.03483	2.3
125.02440	1.4
129.01878	0.3
131.03500	4.3
143.03535	2.1
159.03026	0.9
161.04547	3.0
169.01411	0.4
177.01860	0.5
179.05577	0.4
205.07181	0.4
275.07758	0.6
293.17599	1.0
368.90530	0.4
455.35223	1.2
587.39697	0.8
656.73352	0.3
749.44690	1.7
890.27411	0.4
895.50806	1.5
911.50067	6.6
969.11261	0.4
1057.55811	100.0
1058.55603	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	1059.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	0.2
81.03460	0.2
83.01382	4.1
83.05026	0.1
84.02169	0.2
85.02946	16.6
86.00081	0.3
87.00872	1.8
87.72027	0.1
89.02440	7.8
92.42480	0.1
95.01385	2.3
97.02945	0.9
99.00877	2.4
99.04492	0.1
101.02438	18.6
105.08164	0.1
111.00893	0.2
111.04494	0.1
112.01675	0.6
113.02444	13.5
119.03496	2.2
125.02428	0.6
127.03992	0.1
129.01909	0.4
131.03497	5.9
137.02428	0.1
139.04027	0.1
143.03499	1.1
149.04550	0.3
155.03487	0.1
155.42860	0.1
159.02977	1.3
161.04553	4.1
171.68015	0.1
179.05632	0.3
191.05614	0.7
221.06674	0.3
233.06706	0.1
244.85796	0.1
247.08307	0.3
249.06123	0.1
275.07712	1.5
351.06802	0.1
407.29456	0.1
421.31342	0.1
423.32581	0.5
445.96680	0.1
469.32974	0.1
471.34821	0.5
487.40463	0.1
535.13617	0.1
541.35565	0.1
555.36749	0.4
567.36902	0.1
603.39001	1.9
647.38123	0.1
765.44226	3.1
879.46753	0.1
897.48700	0.5
909.47974	0.2
927.49530	17.2
928.49493	0.4
1059.53723	100.0
1060.53882	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	1059.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	2.4
85.02950	10.8
87.00884	2.2
88.72208	1.1
89.02442	3.8
97.02959	0.9
98.22595	1.1
99.00884	2.4
101.02442	12.7
109.74000	1.0
113.02460	9.0
115.04042	1.2
119.03490	2.3
125.02420	2.4
131.03493	3.2
143.03511	1.2
161.04549	3.0
180.75627	0.9
245.05553	1.1
275.07959	1.1
318.44516	1.1
616.09363	1.1
638.52356	1.1
751.46729	1.9
913.51660	5.7
1059.57446	100.0
1060.57959	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	1059.575
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	0.3
81.03452	0.2
83.01385	3.4
84.02175	0.1
85.02947	12.4
86.00093	0.4
87.00870	2.1
87.04517	0.4
89.02439	5.8
95.00801	0.2
95.01384	2.0
97.02956	0.7
98.22710	0.2
99.00870	1.9
99.04514	0.2
101.02438	13.9
103.04005	0.4
109.02963	0.1
111.00892	0.1
112.01659	0.8
113.02446	10.4
115.03992	0.8
119.03493	2.1
123.38318	0.1
125.02436	0.7
127.04014	0.2
129.01906	0.2
131.03502	3.6
143.03508	1.6
145.05026	0.2
159.02985	1.1
161.04561	2.9
163.06105	0.3
179.05576	0.2
185.55043	0.1
205.07222	0.5
221.06668	0.3
247.08127	0.2
250.18437	0.1
255.47609	0.1
275.07828	0.9
293.17615	0.1
437.34164	0.1
455.35269	0.1
589.41309	0.7
697.13501	0.1
751.46368	1.7
895.50903	0.2
897.52063	1.4
913.51550	5.4
927.49292	0.2
1045.56238	0.2
1059.57336	100.0
1060.57166	2.3
1073.54114	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	1059.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
78.12880	0.4
83.01377	3.0
85.02946	11.0
87.00871	2.1
87.04526	0.6
87.86935	0.4
89.02441	5.5
95.01392	1.2
97.02946	0.5
99.00880	1.6
101.02441	12.7
112.01661	0.6
113.02439	8.7
115.04015	0.8
119.03490	1.7
123.08604	0.4
125.02454	0.8
129.01981	0.7
131.03503	3.1
143.03494	1.3
159.02953	1.1
161.04538	2.8
205.07108	0.7
211.72862	0.4
275.07831	0.7
328.49402	0.4
589.41125	0.6
679.12201	0.5
683.52393	0.4
751.46277	1.8
895.49866	0.5
897.51740	0.9
913.52014	4.8
1059.57422	100.0
1060.57605	1.8
1085.36926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5533
Annotation	Micropeptin 88-N
Peak:m/z	Relative Intensity
75.00863	0.2
80.27103	0.2
83.01381	3.4
85.02948	11.6
86.00104	0.4
87.00866	1.6
89.02441	6.7
92.49650	0.2
95.01379	1.8
97.02932	0.7
99.00881	1.9
101.02441	14.5
112.01651	0.5
113.02448	10.1
119.03490	1.8
125.02419	1.1
129.01921	0.3
131.03497	4.0
137.02464	0.2
142.48363	0.2
143.03490	0.5
159.02969	0.9
161.04549	3.4
191.05602	0.7
200.10445	0.2
221.06683	0.4
247.08214	0.3
275.07675	0.8
350.34509	0.2
551.68890	0.2
605.40283	1.0
767.45886	2.3
899.49359	0.3
929.51123	13.6
930.52039	0.3
1061.55298	100.0
1062.55554	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	1065.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	2.5
89.03937	1.2
92.89063	0.7
93.03443	2.7
95.01389	1.7
95.05035	1.1
97.02960	1.6
105.03456	2.7
107.01421	0.9
107.05025	2.6
109.02935	6.2
111.04501	1.8
117.03411	0.8
119.05041	1.1
120.02141	1.1
121.02951	4.6
123.00873	1.6
123.04515	1.8
124.01679	2.1
125.02438	100.0
126.02750	2.1
131.05009	4.0
132.02153	1.1
133.02956	5.3
135.04475	1.1
137.02440	15.7
138.03203	1.3
139.04016	4.4
145.02876	1.0
147.00859	2.3
147.04514	1.5
149.02437	8.4
149.06082	1.1
151.00340	0.7
151.04001	14.4
155.05005	1.0
157.06543	0.8
159.04547	1.9
160.01729	1.3
161.02440	12.8
163.00334	5.5
163.04005	3.2
164.01155	4.6
165.01895	7.8
166.02673	1.8
167.03496	9.6
169.01413	15.0
170.01744	1.2
171.04492	1.4
173.06023	0.9
174.03114	0.9
175.00421	4.1
175.02477	1.3
175.03992	26.1
176.01144	2.1
177.01915	97.4
177.05359	2.1
178.02393	2.1
179.03529	3.5
183.04521	1.6
187.03992	4.0
189.01950	3.9
189.05544	0.9
190.02661	1.6
191.03500	7.0
193.01329	1.9
193.05026	2.3
197.06058	1.1
199.03981	9.4
201.01898	4.7
201.05573	2.2
202.99797	0.7
203.03532	3.3
204.04129	1.0
205.01361	1.9
205.04906	1.1
211.04010	2.3
213.05533	1.2
215.03503	2.8
217.01416	2.9
217.05040	13.6
219.02965	11.5
219.06636	3.2
221.04486	1.0
225.05551	2.6
227.03502	5.0
228.04106	1.0
229.01505	3.5
229.05038	2.5
231.02979	1.7
233.04497	1.7
239.03581	0.9
241.05038	2.1
243.02948	48.4
243.06720	1.6
244.03419	1.2
245.04524	2.5
251.03355	1.4
253.05048	1.6
255.02960	13.8
256.03680	3.1
257.04517	3.3
259.02493	1.4
259.05884	1.8
261.03992	20.3
267.02960	2.8
267.06726	1.0
269.04532	8.5
273.04004	3.6
277.05008	1.0
279.03033	0.8
281.04541	1.2
282.01657	1.8
283.02475	8.0
284.02731	1.1
285.04114	6.0
286.04550	0.9
287.02267	1.0
287.05460	5.6
293.04578	2.9
295.02386	3.3
295.05719	1.6
296.02948	0.8
297.03970	5.1
299.05249	0.9
301.03357	3.2
303.05048	19.9
305.06720	14.5
311.05502	2.8
313.03503	1.7
319.04596	2.3
323.05521	1.1
327.05197	1.0
335.05579	2.2
343.04706	0.8
346.04712	1.2
361.03500	2.7
365.06641	0.8
373.03351	2.1
373.97391	0.7
374.04105	2.4
375.04831	0.9
379.04309	1.7
391.04465	2.7
397.05637	1.2
403.04385	1.6
405.06042	4.9
407.07504	1.1
411.07111	2.5
419.03986	1.6
421.05594	4.6
423.07172	33.7
424.07538	1.6
427.06302	1.1
429.08276	6.6
437.04929	0.7
439.06586	6.3
441.08188	2.0
447.06958	1.1
457.07901	4.1
465.08328	4.8
481.07724	4.0
483.09103	6.0
497.08826	0.9
523.06921	1.3
541.07758	16.4
559.08710	8.6
565.09521	1.3
573.10364	1.3
575.08057	4.5
577.09564	1.1
583.08484	1.6
589.09930	1.3
591.11292	8.5
593.08990	4.9
601.09821	6.1
607.10699	5.9
609.12457	4.9
635.09772	4.5
693.08411	3.5
707.38654	0.8
709.11859	12.7
710.11517	0.9
711.09937	6.7
725.11737	0.8
727.12970	21.9
729.11224	1.4
743.12585	1.2
745.14020	1.4
761.13458	10.9
769.13782	2.9
771.11743	1.0
787.14221	1.3
803.14709	1.1
879.14160	15.3
895.17114	4.4
897.14624	3.2
913.17694	2.1
939.15631	1.6
1065.19592	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	1065.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03453	1.8
83.01380	2.5
93.03429	4.5
95.01382	1.3
95.05029	1.2
105.03493	2.2
107.01385	1.0
107.05001	1.3
109.02939	8.7
111.04475	0.9
121.02940	7.6
123.00855	1.8
123.04483	1.3
124.01641	1.4
125.02444	90.4
126.02751	1.3
131.05051	3.3
133.02914	4.8
135.04559	1.3
137.02431	18.0
139.04015	4.0
143.05058	1.1
145.02962	0.9
147.00838	1.5
147.04591	1.2
149.02444	9.6
151.04007	13.5
159.04509	2.3
161.02449	13.3
163.00337	6.2
163.04016	3.9
164.00029	0.9
164.01114	5.1
165.01904	7.9
167.03500	8.2
169.01396	7.5
173.02405	1.2
173.06079	2.2
175.00352	4.5
175.04008	20.9
176.01111	2.9
177.01923	100.0
177.05429	2.9
178.02328	2.1
179.03482	3.0
183.04497	1.8
187.03970	3.0
189.01881	3.5
189.05605	1.9
190.02718	1.9
191.03488	7.1
193.01398	1.6
193.05037	2.7
199.04007	11.4
201.01950	3.3
201.05565	2.2
203.03528	3.2
205.05089	1.4
211.04057	1.6
215.03528	4.2
217.01576	1.8
217.05026	13.1
219.02991	8.9
219.06572	3.8
221.04353	1.3
225.05606	1.4
227.03578	4.3
229.01450	1.5
229.04910	1.7
231.02997	2.4
233.04416	1.6
241.05016	2.8
243.02968	50.4
244.03529	1.1
251.03658	1.3
253.05200	1.2
255.02953	15.6
256.03745	3.8
257.04596	3.3
259.02289	1.3
259.06128	1.9
261.04010	19.5
267.02997	1.8
269.04507	8.4
273.04117	2.4
279.02835	1.0
281.04520	2.1
282.01663	2.0
283.02493	7.5
285.04062	7.6
287.05612	4.8
288.02710	1.8
293.04517	3.5
293.07626	1.0
295.02460	2.9
295.05722	1.1
297.04129	5.1
301.03467	4.3
303.05057	20.7
305.06723	15.2
309.03857	1.4
313.03445	1.7
315.05017	1.5
319.05365	1.3
327.05133	1.3
335.05499	1.8
343.04663	1.1
344.54129	0.9
353.06979	1.1
361.03430	2.8
373.03336	2.4
374.04172	2.6
379.04474	2.0
391.04639	2.0
399.07471	1.5
403.04507	1.4
405.06055	4.1
411.07184	3.6
419.04147	1.4
421.05545	3.0
423.07175	35.0
427.06671	2.0
429.08160	6.3
439.06540	4.8
441.08136	2.6
457.07623	2.3
463.06476	1.1
465.08380	5.2
481.07642	4.5
483.09406	5.8
486.68173	1.0
523.06409	1.1
524.53900	0.9
541.07782	15.6
559.08832	5.8
565.09491	1.7
571.08600	1.8
575.08282	2.9
591.11469	7.2
593.09253	7.1
601.10291	4.4
607.10663	6.0
609.12390	6.8
619.11115	1.4
624.76068	1.2
635.10443	5.0
691.10187	1.1
693.08667	3.1
709.12000	8.9
711.09418	6.0
727.13025	15.2
729.10815	1.4
745.14252	1.3
761.13654	13.9
769.14801	2.1
798.31519	1.1
879.14142	15.4
895.17761	5.8
897.15387	3.6
913.17969	2.4
939.16473	2.9
1028.43811	1.0
1065.19299	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	1065.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.9
83.01383	2.7
93.03445	4.0
95.01373	1.6
95.05062	1.0
97.02923	1.1
105.03436	2.5
107.05018	3.2
109.02953	7.0
111.04522	2.3
119.05044	1.5
121.02973	5.3
123.00894	2.6
123.04592	0.9
124.01655	2.2
124.96875	0.9
125.02445	100.0
126.02758	2.4
131.05014	2.6
132.02214	1.2
133.02986	4.7
137.02441	16.4
138.03238	1.3
139.03998	6.1
147.00896	2.0
147.04543	1.5
149.02429	9.5
149.06139	1.0
151.03992	13.3
159.04475	1.7
161.02428	11.9
163.00369	5.9
163.04022	2.8
164.01140	4.9
165.01909	9.8
166.02730	1.2
167.03500	9.2
169.01424	9.4
170.01808	1.0
171.04520	2.0
173.02440	1.3
173.06094	1.5
174.03316	0.9
175.00354	3.7
175.04005	20.6
176.01071	2.7
177.01921	92.2
177.05458	2.7
177.29179	0.9
178.02333	2.9
179.03452	4.1
183.04576	1.1
187.03918	3.0
189.01926	3.7
189.05565	1.3
190.02585	0.9
191.03412	5.9
193.01399	1.9
193.05035	2.4
199.03987	9.5
200.04457	1.1
201.01895	3.1
201.05615	2.6
203.03455	3.3
205.01361	1.5
205.05075	1.5
211.04015	2.1
214.02686	1.2
215.03445	3.5
217.01427	2.2
217.05028	11.3
219.02963	11.5
219.06606	3.3
221.04488	2.0
225.05399	2.0
227.03468	3.7
229.01541	2.1
229.04980	3.4
231.03062	1.3
239.03438	1.4
241.05043	1.6
243.02962	44.8
244.03386	1.6
245.04543	2.7
253.01381	1.1
253.05032	1.3
255.02988	15.7
256.03546	2.4
257.04483	3.4
259.02371	2.2
259.06058	1.7
261.04028	20.0
261.07336	1.5
261.07782	1.4
267.02853	2.4
269.04535	7.8
271.06226	1.1
273.04037	2.3
275.69971	0.9
277.04895	1.0
281.04657	1.4
282.01608	1.4
283.02512	6.4
285.04059	7.7
287.02521	1.1
287.05426	4.5
291.06494	1.3
293.04523	2.7
295.02563	4.3
297.03983	3.1
300.02753	1.1
301.03555	3.1
303.05090	18.8
305.06787	16.5
311.05548	1.6
312.32605	1.0
313.03506	1.2
319.04541	1.8
327.04993	1.6
333.04062	1.1
335.05338	2.5
339.04651	1.2
347.05484	1.5
361.03409	1.6
373.03363	2.0
379.04495	2.4
381.06229	1.1
391.04828	1.9
403.04547	2.3
405.06183	3.6
411.07162	1.1
419.03925	1.7
421.05609	3.8
423.07236	33.3
424.07452	1.1
427.06232	2.0
429.08328	6.6
435.06274	1.3
439.06616	6.1
441.08502	2.5
457.07410	2.9
465.08154	4.4
481.07635	4.3
483.09271	5.0
541.07819	13.8
559.08624	5.7
563.71167	1.0
571.08392	1.2
575.08197	5.8
583.07886	1.1
591.11414	7.4
593.09149	6.4
601.09955	2.6
607.11145	7.7
609.12292	4.1
635.10083	3.2
693.09192	2.7
709.11951	12.7
711.10199	6.6
727.12982	16.6
743.13666	0.9
745.13379	2.8
761.13599	9.3
769.13245	1.6
771.11682	1.1
787.14069	1.4
879.14136	14.0
895.16943	4.7
897.15033	1.9
913.18799	2.0
939.15350	1.3
1065.19336	3.8
1096.86035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03472	1.4
81.98521	0.6
83.01381	3.7
89.03947	0.9
91.01899	0.6
93.03463	2.6
95.01399	1.3
95.05019	1.1
96.58272	0.6
97.02980	1.5
105.03450	1.9
106.38699	0.5
107.01347	0.6
107.05047	2.5
109.02962	6.7
111.04539	1.7
119.01398	0.6
121.02962	6.1
123.00912	2.9
123.04531	1.6
124.01682	2.6
125.02446	100.0
126.02744	2.1
131.05025	2.4
133.02977	4.1
135.04587	0.7
137.02446	15.3
138.03241	0.7
139.04045	4.1
141.57774	0.6
145.02957	0.7
147.00899	1.7
147.04518	1.4
149.02457	9.7
149.06085	1.5
151.00417	0.8
151.04001	11.6
157.06558	0.8
159.04565	1.8
160.01611	0.7
161.02452	12.2
161.05946	0.9
162.03282	0.7
163.00354	4.8
163.04060	2.9
164.01151	4.4
165.01958	6.7
165.05556	0.7
166.02658	0.8
167.03506	10.8
168.03796	0.9
169.01419	13.8
170.01730	1.2
171.04536	1.0
173.02501	0.7
173.06064	1.7
174.03246	0.9
175.00383	4.6
175.04002	21.8
176.01167	2.3
176.04431	0.7
177.01926	95.5
177.05486	3.4
178.02412	1.7
179.03564	3.8
183.04468	1.0
184.07056	0.6
185.02371	1.0
185.06023	0.7
187.03989	3.1
189.01947	2.5
189.05632	0.9
190.02632	1.2
191.03482	6.1
193.01428	1.7
193.05063	2.9
197.06155	0.9
199.03999	9.8
200.04575	0.6
201.01913	3.9
201.05617	2.0
203.00017	0.7
203.03546	3.4
204.04221	1.0
205.01431	0.8
205.05074	0.9
211.04027	1.7
213.05592	1.9
214.02658	1.3
215.03551	3.1
216.04266	0.7
217.01437	2.2
217.05037	14.2
219.02971	9.9
219.06627	2.3
221.04561	1.7
225.05566	1.7
227.03560	4.4
228.04358	0.9
229.01453	1.5
229.05087	3.4
231.03000	2.0
231.06673	0.9
232.03717	0.6
233.04584	1.0
235.06070	0.8
239.03545	1.1
241.05107	3.5
243.02971	41.1
243.06863	1.2
244.03377	1.5
245.04529	1.6
249.05560	0.7
251.03506	0.8
251.07144	0.6
253.04994	1.5
255.02977	14.9
256.03754	3.2
257.04520	3.6
259.02390	0.9
259.06104	1.6
261.04001	18.8
267.03024	2.1
267.06689	0.7
269.04486	8.3
271.02542	0.7
273.03888	4.1
275.05713	0.7
277.04993	0.7
279.03128	1.1
281.04550	2.0
282.01743	1.4
283.02515	6.3
283.05481	1.1
285.04053	11.5
285.44427	0.6
286.01321	0.6
286.04440	0.9
287.05649	6.2
291.06638	0.7
293.04486	3.1
295.02502	3.3
295.05765	0.8
297.04086	4.7
298.05054	0.7
299.05524	1.3
301.03537	4.2
302.04230	0.8
303.05096	19.2
305.06793	15.1
309.04105	0.8
311.05637	1.7
313.03543	1.4
313.07013	1.0
315.05084	1.9
319.04575	3.8
323.05475	1.2
325.03641	1.2
327.05328	1.2
335.05554	2.4
337.03467	1.1
347.05658	1.3
355.08151	0.7
357.06308	0.6
361.03522	1.8
363.04941	0.8
365.06665	0.9
373.03470	1.7
374.04211	1.5
377.06961	0.7
379.04410	1.6
379.08536	1.2
381.06622	0.8
387.04849	1.0
391.04489	2.1
403.04526	2.0
405.06235	4.4
407.07712	0.6
411.07211	3.6
415.03827	0.8
417.06058	0.9
419.04184	1.3
421.05692	3.9
423.07227	35.7
427.06595	1.8
429.08228	6.1
435.07477	0.8
439.06454	4.9
439.89798	0.6
441.08447	2.9
447.07150	1.2
453.08142	0.7
457.08029	2.8
463.06506	1.1
465.08197	5.4
467.09723	1.2
473.08694	0.7
481.07742	3.6
483.09268	5.7
509.07785	0.6
515.10052	0.8
523.07013	1.1
541.07819	12.5
559.08862	6.6
565.09937	0.9
571.08691	1.1
573.10358	1.8
575.08240	4.2
577.10266	1.1
589.09827	0.9
591.11475	7.1
593.09149	5.8
601.10278	3.8
605.08820	1.1
607.11029	5.6
609.12512	6.5
635.10571	3.5
691.11395	0.9
693.08490	1.9
709.11938	10.8
711.09644	4.2
727.13013	17.3
729.09857	1.6
743.12708	1.3
745.14014	2.2
753.10205	0.8
761.13519	11.3
769.13727	2.0
771.12006	0.7
787.15112	1.2
803.13892	0.9
879.14026	10.3
895.17096	3.3
897.14868	2.3
898.99658	0.8
913.18463	3.3
939.16339	1.9
1065.18237	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	1073.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
75.45133	0.2
83.01384	2.6
85.02949	13.9
86.00084	0.3
87.00883	1.6
89.01924	0.5
89.02444	6.2
95.01423	1.6
95.01910	0.3
95.24382	0.3
97.02921	0.7
98.22645	1.0
99.00880	1.9
101.02444	13.1
105.76468	0.3
112.01672	0.6
113.02448	11.5
113.03243	0.5
119.03507	2.2
125.02434	0.9
129.01927	0.4
131.03517	2.9
138.90111	0.2
143.03546	0.4
149.04588	0.3
159.02997	0.7
161.04565	3.3
171.28397	0.3
191.05647	0.6
221.06564	0.3
229.68388	0.3
275.07730	1.6
359.01828	0.3
392.14041	0.3
409.31061	0.4
423.28308	0.4
437.30774	1.7
439.32184	1.0
457.32913	0.3
485.32773	4.0
533.30945	0.3
551.23962	0.3
569.34991	0.9
571.36407	1.1
589.37604	0.6
599.35797	0.4
617.36963	5.0
779.42004	3.2
911.46613	0.4
923.46783	0.5
941.47473	22.5
942.48608	0.4
1051.12048	0.4
1073.51721	100.0
1074.52380	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	1073.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
74.75146	0.4
83.01389	2.8
85.02940	10.6
86.00079	0.5
87.00885	2.0
89.02447	4.6
93.88776	0.4
95.01392	1.7
96.95981	0.5
97.02938	0.6
98.21831	1.5
99.00887	1.7
101.02435	12.0
113.02435	9.0
115.04036	0.9
119.03487	1.7
125.02476	2.0
131.03487	4.0
143.03522	1.6
151.35240	0.4
154.01076	0.4
159.02979	0.8
161.04527	2.1
188.85110	0.4
205.07079	0.7
243.02914	0.5
275.07724	1.1
294.77322	0.5
603.39233	1.2
734.88800	0.4
765.44617	2.0
911.49359	1.2
927.49402	6.4
1073.55310	100.0
1074.55798	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	1073.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	3.0
85.02949	11.6
87.00890	2.2
87.04514	0.6
89.02442	4.6
95.01374	1.9
96.95979	0.5
97.02919	0.6
99.00902	1.6
101.02442	12.3
110.88503	0.3
112.01624	0.7
113.02444	8.4
115.04015	0.9
119.03485	2.0
125.02437	0.9
131.03503	3.5
143.03508	1.1
159.03014	1.0
161.04587	2.6
177.01953	0.3
202.42303	0.3
275.07861	0.7
397.87601	0.4
695.05261	0.4
765.44232	2.0
810.84326	0.5
911.50372	1.3
927.49292	5.0
1073.55334	100.0
1074.55273	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	1075.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	3.0
83.05042	0.3
85.02947	12.1
86.00108	0.3
87.00877	1.5
89.02447	4.6
91.38518	0.2
95.01389	1.6
96.88836	0.2
97.01408	0.1
97.02927	0.6
98.21784	0.2
99.00883	1.2
101.02446	12.6
111.00887	0.3
112.01646	0.6
113.02448	8.5
113.03242	0.4
119.03499	1.9
125.02448	0.5
129.01978	0.4
131.03506	4.1
143.03500	0.8
149.04550	0.3
153.09177	0.2
157.98070	0.2
159.02997	0.8
161.04579	2.4
179.10826	0.4
191.05592	0.6
221.06473	0.2
247.07982	0.3
267.21527	0.2
275.07745	1.5
275.20160	0.6
286.12714	0.2
289.21640	0.3
291.23340	1.2
333.24203	0.3
341.89328	0.2
351.27014	1.3
381.28241	0.2
389.23160	0.2
407.24368	0.3
407.29535	0.2
421.30777	0.3
423.27536	0.4
423.32870	0.4
425.30661	0.3
439.32407	0.4
451.32468	0.3
465.29346	0.2
469.33267	2.2
565.35431	0.2
573.37720	0.4
583.36890	0.9
601.37451	6.0
619.38879	0.5
627.33563	0.2
763.42670	0.5
781.43701	1.5
913.47992	0.5
923.77350	0.2
925.48077	0.6
943.49054	14.5
1075.53235	100.0
1076.53442	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	1075.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00911	0.3
83.01392	2.9
85.02944	14.7
86.00098	0.5
87.00870	1.8
87.04526	0.5
89.02444	6.6
95.01371	1.8
97.02953	0.7
99.00896	1.8
101.02442	15.3
102.19482	0.3
103.04013	0.4
103.11611	0.2
105.18693	0.3
111.00893	0.5
112.01676	0.5
113.02444	9.8
114.02751	0.4
115.03991	0.8
119.03491	2.0
125.02414	0.6
125.45663	0.3
131.03503	3.0
143.03496	1.9
159.02983	1.0
161.04504	2.1
163.06168	0.3
174.51978	0.2
177.01817	0.3
179.05724	0.4
187.15488	0.2
205.07114	0.8
263.07419	0.3
275.07626	0.9
473.36392	0.9
605.40912	1.2
618.37646	0.3
716.24438	0.3
734.97827	0.3
767.46082	1.6
911.50092	0.4
913.50873	0.9
929.51038	5.8
929.69275	0.3
942.48230	0.9
943.48315	2.8
1074.52905	0.8
1075.56458	100.0
1076.56995	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	1075.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00848	0.1
81.03474	0.3
83.01389	3.1
84.02170	0.2
85.02949	11.8
85.56960	0.1
86.00089	0.5
87.00876	2.3
87.04519	0.5
89.02445	5.2
95.01387	1.6
97.02950	0.9
98.21821	0.4
99.00877	1.9
99.04507	0.1
101.02443	13.2
103.03997	0.4
111.00854	0.2
112.01675	0.5
113.02448	9.4
115.04015	0.7
119.03504	1.9
125.02451	0.5
127.04025	0.2
129.01936	0.3
131.03497	3.6
143.03499	1.7
145.05098	0.2
159.02983	1.2
161.04561	3.2
163.06116	0.2
204.61713	0.1
205.07088	0.5
218.58421	0.1
221.06662	0.3
221.15421	0.1
238.85411	0.1
247.08067	0.2
249.15086	0.2
265.14441	0.8
275.07773	0.7
411.79813	0.1
423.32626	0.1
541.07770	0.1
591.26459	0.5
605.40717	0.8
615.01849	0.1
767.45929	2.3
895.50519	0.2
911.49933	0.3
913.51361	1.1
929.51074	6.2
947.14868	0.1
1075.56860	100.0
1076.57715	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	1079.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	3.5
85.02937	12.9
88.01137	0.9
89.02438	7.1
90.65831	0.9
95.01391	2.9
97.02899	1.1
98.21814	3.1
99.00848	1.8
101.02438	17.0
113.02448	13.0
119.03493	3.3
125.02442	3.6
131.03511	5.2
143.03499	1.1
147.07344	0.9
148.02148	0.8
159.03041	1.1
161.04556	5.5
170.84558	0.9
177.01949	1.5
191.05577	0.9
195.20712	0.9
275.07739	1.7
337.81854	0.9
455.35403	1.6
495.88098	0.9
587.39197	1.5
749.45593	5.2
749.56793	1.4
911.50323	6.3
1043.54260	100.0
1044.54504	2.3
1079.52002	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0215
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
69.95594	4.3
75.28919	1.5
77.14101	1.3
81.03441	3.1
98.22594	2.1
100.56210	1.5
108.02174	100.0
108.04556	13.4
109.02966	58.5
109.04107	4.7
112.86411	1.4
113.45887	1.6
117.30367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
82.53781	0.4
89.02446	0.6
95.01408	0.4
101.02479	0.4
109.02916	0.6
122.03741	0.8
123.00880	0.9
124.01676	2.2
125.02440	2.0
137.02458	0.7
138.03235	0.7
140.25923	0.4
150.03287	0.9
152.01138	2.2
153.01991	1.0
166.02759	0.8
169.01414	1.2
175.03897	0.5
177.01891	0.8
237.14966	7.2
250.94748	0.4
253.14488	6.1
254.14473	0.4
265.14438	51.8
267.16006	1.1
279.16034	0.5
281.13934	100.0
282.14725	8.9
283.15527	6.8
295.15552	4.5
307.15549	0.9
323.14999	2.3
355.96793	0.5
427.19714	2.6
443.19113	9.3
443.24762	0.8
444.19937	4.3
445.20639	2.0
606.25275	4.6
607.26074	33.6
608.26459	0.8
769.31335	57.1
770.30756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
75.49790	0.1
81.03436	0.2
81.65605	0.1
83.01385	2.6
84.02138	0.1
85.02950	11.8
86.00089	0.6
87.00874	2.3
87.04516	0.4
89.02442	4.7
95.01386	1.6
97.02969	0.7
98.21851	0.4
99.00875	1.5
99.04510	0.2
101.02444	11.0
101.79237	0.1
103.04009	0.2
109.36893	0.1
111.00831	0.1
112.01665	0.9
113.02449	9.1
115.04002	0.9
119.03510	1.7
125.02451	0.7
129.01900	0.2
131.03505	2.6
140.52284	0.1
143.03490	1.3
159.02971	0.7
161.04567	2.3
163.06126	0.1
167.07114	0.1
179.05707	0.2
190.87239	0.1
193.64082	0.1
205.07132	0.4
247.08099	0.2
275.07736	1.5
324.56708	0.1
369.27997	0.3
409.30948	0.2
423.28711	0.3
437.30554	1.3
439.32327	0.9
457.33295	0.4
485.32715	3.8
501.32312	0.3
541.35303	0.2
553.35394	0.2
569.34839	0.8
571.36664	0.9
581.34747	0.3
589.37915	0.6
599.35760	0.5
617.36932	3.9
619.29718	0.1
779.42383	2.1
781.74634	0.1
907.47864	0.4
923.46802	0.4
925.48090	1.6
925.65466	0.2
941.47473	9.2
942.48474	0.1
955.58246	0.1
1087.53235	100.0
1088.53394	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	1088.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01374	2.8
85.02943	10.1
87.00872	1.5
89.02442	5.8
95.01376	1.8
97.02954	0.3
98.86254	0.3
99.00877	1.6
101.02438	13.3
105.60798	0.3
112.01630	0.5
113.02445	9.4
113.03236	0.5
119.03501	1.5
125.02441	0.6
129.01959	0.3
131.03493	3.6
143.03462	0.9
149.04512	0.4
159.02991	0.8
161.04532	3.1
187.91930	0.3
191.05577	0.7
221.06519	0.3
221.79713	0.3
275.07690	1.5
441.66364	0.3
589.41040	1.3
751.46265	4.9
913.51685	6.9
1045.55811	100.0
1046.56189	2.2
1050.56018	0.7
1088.55225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01378	2.7
85.02949	11.2
86.00104	0.4
87.00866	2.4
89.02447	4.4
95.01395	1.6
97.02951	0.7
99.00882	1.4
101.02440	11.1
108.78316	0.4
111.00828	0.3
112.01647	0.6
112.88583	0.3
113.02442	9.1
115.03991	0.6
119.03481	1.8
125.02442	1.1
131.03505	3.6
137.02478	0.3
143.03497	1.2
153.30460	0.3
159.02931	0.6
161.04539	2.5
175.52234	0.3
177.01988	0.4
275.07657	1.1
381.50372	0.3
419.19431	0.3
462.72910	0.4
487.34164	1.6
532.38464	0.4
573.38293	0.6
601.37189	0.7
619.38519	4.0
763.43176	0.8
781.43616	2.8
909.49243	0.5
925.47791	0.4
927.50769	1.5
940.10809	0.3
943.48822	6.6
952.22974	0.3
1089.54797	100.0
1090.54431	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	1089.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.3
81.70574	0.1
83.00912	0.2
83.01379	2.6
83.05017	0.3
85.02943	10.5
86.00089	0.6
87.00871	2.1
87.04510	0.4
89.02437	4.7
95.01381	1.3
97.02945	0.6
99.00879	1.4
101.02436	11.1
103.03999	0.4
108.78151	0.1
109.06567	0.1
111.00818	0.2
112.01653	0.7
113.02442	8.6
114.39871	0.1
115.04007	0.8
119.03496	1.7
121.83805	0.1
123.08086	0.1
125.02479	0.5
127.04008	0.1
129.01910	0.2
131.03491	3.6
137.02287	0.1
143.03500	1.3
145.05084	0.1
146.21967	0.1
149.04590	0.2
153.09158	0.1
157.05046	0.1
159.03012	0.8
161.04546	2.0
163.06114	0.2
179.05540	0.2
179.10764	0.3
182.38927	0.1
196.03699	0.1
205.07141	0.5
221.06583	0.2
221.15457	0.2
230.08728	0.1
247.08224	0.2
252.31779	0.1
275.07663	1.2
275.20212	0.6
289.21637	0.3
291.23273	1.0
333.24323	0.3
349.25348	0.1
351.26837	1.1
355.26251	0.2
405.26947	0.1
407.24359	0.4
407.29404	0.2
421.13452	0.1
421.30948	0.3
423.27585	0.3
423.32843	0.3
425.30615	0.3
432.10104	0.1
437.30759	0.1
439.32034	0.4
440.90707	0.1
441.33621	0.2
451.32092	0.2
455.31573	0.2
465.28503	0.2
467.31387	0.1
469.33289	2.3
483.31021	0.1
497.33237	0.1
511.34134	0.2
517.31830	0.2
557.35181	0.2
565.35101	0.3
573.37817	0.4
583.36304	1.0
599.35718	0.2
601.37408	6.5
619.38818	0.4
627.33917	0.2
745.41821	0.1
763.42432	0.5
781.43787	1.4
909.48608	0.1
925.47546	0.4
927.49866	1.3
943.48920	6.7
1089.54700	100.0
1090.55017	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	1102.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	2.2
85.02947	8.7
86.00048	0.2
87.00880	0.9
89.02436	3.8
95.01379	1.2
97.02952	0.4
98.22755	0.2
99.00893	1.2
101.02439	10.3
111.00860	0.2
112.01655	0.3
113.02444	7.2
119.03494	1.3
125.02435	0.4
129.01918	0.4
131.03500	3.0
138.18025	0.1
143.03497	0.6
159.03018	0.5
161.04530	2.6
167.64482	0.1
179.05646	0.2
191.05647	0.5
202.88412	0.2
221.06656	0.2
247.08076	0.3
275.07727	0.9
281.58890	0.2
287.56900	0.2
423.32742	0.2
471.34586	0.5
555.36768	0.2
603.38861	1.1
727.17792	0.2
765.44263	3.1
909.48944	0.3
927.49561	6.7
928.48724	0.2
1059.53784	100.0
1060.54419	2.1
1102.51636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1102.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.3
83.01379	2.3
85.02944	7.5
87.00873	1.3
87.04526	0.4
89.02442	3.1
95.01382	0.9
96.95994	0.3
97.02911	0.7
98.55752	0.3
99.00872	1.0
101.02435	10.3
107.27739	0.4
112.01671	0.5
113.02440	7.1
115.04000	0.9
119.03492	1.2
125.02406	0.7
127.89052	0.3
131.03490	2.6
143.03505	1.7
159.02986	1.0
161.04546	3.0
205.07166	0.8
214.17938	0.3
221.21938	0.3
275.07770	0.7
305.90671	0.3
340.21512	0.3
375.15109	0.3
420.46637	0.3
534.43518	0.4
589.41205	0.9
687.93402	0.3
751.46130	3.1
782.97375	0.3
897.52460	0.7
913.51044	3.6
913.67621	0.4
920.20471	0.4
982.94104	0.3
1059.57373	100.0
1060.58887	1.6
1064.59912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01411	1.7
85.02935	8.0
89.02425	5.2
95.01415	1.2
101.02426	11.0
112.01637	1.3
113.02437	8.0
125.02452	2.4
131.03482	2.5
161.04533	3.2
193.43698	1.0
214.05559	1.0
225.98383	1.0
234.22568	1.2
275.07605	1.2
430.30765	1.1
749.44781	2.8
911.49847	5.9
1006.13293	1.1
1043.54382	100.0
1044.54346	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	1108.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	1.0
85.02954	4.4
86.03275	0.8
89.02431	2.1
95.01382	0.6
99.00893	0.7
101.02436	5.3
112.10499	0.5
113.02441	3.8
114.02750	0.7
119.03502	1.0
130.66043	0.6
131.03488	1.3
161.04556	1.7
186.99200	0.5
190.45929	0.6
196.83009	0.6
410.88235	0.6
546.84314	0.7
593.67749	0.7
913.51447	1.4
915.51837	1.6
916.51660	1.3
1039.48010	0.7
1045.55835	36.3
1046.55664	2.2
1047.56506	17.6
1048.56702	27.4
1108.55347	100.0
1109.56726	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	1108.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
77.58360	1.9
85.02937	9.1
89.02441	4.1
98.21690	3.9
101.02451	10.4
102.50386	2.2
113.02453	9.4
114.84613	2.2
119.29124	1.9
125.02421	3.8
131.03491	2.3
161.04527	3.9
194.77296	2.3
514.62628	2.3
584.31641	2.4
767.85101	2.5
771.84698	2.5
916.52240	3.8
1045.55811	40.0
1046.55725	4.8
1047.56445	30.7
1048.56714	44.5
1061.58154	3.7
1062.56958	3.1
1071.54248	2.9
1072.54382	22.5
1108.54968	100.0
1146.51172	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.1
66.03495	2.6
67.01887	47.4
67.03837	4.0
68.01413	4.3
69.87833	6.8
78.95903	37.5
83.01380	41.0
83.05027	3.8
85.00436	7.4
85.02976	2.4
111.00878	100.0
111.01986	17.1
111.04499	3.8
112.00421	2.6
112.04063	10.5
122.69491	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	2-Furoate
Peak:m/z	Relative Intensity
51.23149	2.4
56.32759	2.4
65.01401	2.3
67.01889	83.1
67.07802	2.2
69.31797	11.8
78.95897	8.1
83.01392	4.5
88.57713	3.1
88.61046	2.8
111.00879	100.0
112.01194	5.6
122.52439	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58774	2.8
52.25648	2.8
55.01868	10.0
57.50774	3.2
58.88498	3.2
62.10998	2.5
65.38284	2.4
67.01888	76.5
69.94179	4.6
69.94518	5.6
78.95889	19.5
79.95815	2.7
83.01379	32.6
98.22675	3.1
111.00879	100.0
111.02007	8.9
112.01240	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	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
51.21540	2.9
55.01871	17.5
55.22231	3.1
56.84517	3.3
59.17898	3.0
67.01884	85.4
69.83083	6.3
69.83443	6.5
78.95911	4.6
83.01376	53.1
89.45786	2.5
103.92419	2.6
111.00882	100.0
111.02021	5.8
112.01219	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	1111.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
81.01127	0.3
81.24265	0.3
83.01392	2.0
85.02948	8.0
86.00053	0.3
87.00874	1.5
87.04506	0.3
89.02440	3.8
95.01370	1.0
98.21844	0.5
98.27034	0.3
99.00877	1.9
101.02446	10.2
113.01697	0.7
113.02447	8.2
115.04000	0.7
119.03479	1.8
125.02452	0.6
131.03497	2.8
143.03487	0.8
159.02979	1.0
161.04555	2.8
204.77515	0.3
205.07117	0.5
275.07690	0.9
322.29404	0.3
605.40704	1.1
684.37427	0.3
767.45605	2.6
929.51160	3.6
1017.27759	0.4
1075.56921	100.0
1076.56750	1.7
1111.54602	42.6
1119.13831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.559
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	1.8
84.02140	0.2
85.02946	8.1
86.00084	0.3
87.00873	1.6
87.04504	0.3
89.02437	3.7
95.01389	1.1
96.96011	0.5
97.02969	0.4
99.00884	1.3
101.02442	10.0
103.32645	0.2
112.01646	0.5
113.02445	7.4
113.03259	0.4
115.04007	0.8
117.23007	0.2
117.68935	0.2
119.03497	1.5
125.02423	0.7
129.01962	0.3
131.03496	3.0
143.03543	1.2
145.05029	0.2
159.02995	1.0
161.04552	2.5
179.05667	0.3
205.07147	0.6
214.93636	0.2
247.08095	0.3
251.36592	0.2
275.07681	0.7
423.32602	0.5
447.62869	0.2
471.34610	0.5
493.25912	0.2
551.99548	0.2
555.37024	0.3
603.39038	1.5
622.21155	0.2
765.44257	2.3
911.50061	0.7
927.49298	2.6
1073.55286	100.0
1074.55444	2.3
1077.57178	0.3
1078.56165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01365	2.0
85.02940	8.2
86.03278	1.4
87.00871	1.3
89.02448	4.3
90.02784	0.6
95.01389	1.3
97.02966	0.6
98.22604	0.8
99.00880	1.3
101.02443	11.4
102.02781	2.6
113.02448	9.5
114.02755	0.7
115.02952	0.6
119.03506	2.0
120.03838	0.7
125.02422	0.5
131.03513	4.0
132.03827	0.7
139.36151	0.4
143.03470	0.9
155.77928	0.5
159.03053	0.8
161.04546	3.0
162.04927	0.6
172.90483	0.4
261.72745	0.4
267.15128	0.4
275.07553	1.0
286.88953	0.4
356.67996	0.4
418.56186	0.5
424.97406	0.5
494.89566	0.4
551.00476	0.6
591.92151	0.6
603.39069	0.5
605.39612	1.0
765.44012	0.7
766.44464	1.3
767.45404	1.4
768.44794	1.4
927.49738	2.2
928.50165	1.3
929.50085	4.0
930.50275	3.6
969.05933	0.5
1059.53748	37.6
1060.54358	6.7
1061.31213	0.8
1061.54492	44.2
1062.54736	75.2
1122.53333	100.0
1123.53662	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	1122.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
82.10040	0.4
83.01370	0.6
85.02950	3.6
85.87557	0.4
86.03271	0.5
87.00880	0.7
89.02421	1.8
95.01384	0.5
99.00851	0.7
101.02440	5.0
102.02756	0.7
104.52493	0.4
113.02444	3.5
114.02715	0.5
115.03951	0.3
119.03484	0.4
125.02444	0.6
131.03476	1.2
143.03450	0.6
152.97878	0.4
159.02884	0.5
161.04495	1.0
319.80322	0.4
688.82336	0.4
751.46887	0.6
753.46655	0.5
913.52484	0.7
916.52441	0.6
1046.55933	2.2
1059.57410	42.0
1060.57837	3.0
1061.57886	11.3
1062.58325	27.2
1122.56909	100.0
1123.54993	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	1122.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02937	6.2
86.13218	1.5
89.02432	2.1
101.02440	8.8
113.02439	6.8
125.02412	1.6
131.03555	1.8
145.34584	1.6
161.70111	1.7
169.01352	2.2
243.02882	1.9
303.34296	1.7
329.06592	1.6
1046.56384	2.1
1059.57434	50.4
1060.58191	4.5
1061.57336	14.2
1062.57861	43.4
1122.56946	100.0
1123.57349	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	1130.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	2.3
85.02951	8.7
87.00886	1.1
89.02443	3.9
95.01403	1.2
96.95939	0.8
98.22698	1.1
99.00903	1.2
100.07710	0.6
101.02448	8.1
104.71935	0.6
105.65534	0.6
113.02444	8.3
115.04017	1.0
119.03534	1.3
125.15012	0.6
131.03499	1.5
143.03520	1.1
161.04547	2.9
180.34705	0.6
207.10350	0.7
243.63432	0.8
275.07681	1.5
333.41452	0.8
360.47665	0.7
422.00302	0.8
485.32663	1.9
550.01575	0.7
617.36761	3.3
779.42316	2.3
884.81207	0.6
941.47272	3.7
1087.53284	100.0
1088.53369	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	1135.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	2.1
85.02948	7.8
87.00870	1.2
89.02440	4.0
95.01386	1.4
97.02924	0.3
99.00879	1.2
101.02437	8.8
104.89843	0.2
112.01663	0.4
113.02444	6.9
115.03981	0.6
119.03484	1.4
125.02447	0.5
131.03482	2.8
143.03520	1.0
159.02986	0.9
161.04558	2.6
275.07712	0.8
514.64380	0.4
605.40100	0.7
767.45819	2.4
913.51080	0.7
929.50928	3.3
1075.56848	100.0
1076.56458	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	1136.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	1.9
85.02952	6.8
86.03215	0.9
87.00878	1.7
89.02441	2.9
95.01331	0.7
97.02895	0.3
99.00786	1.0
101.02441	9.1
102.02674	1.3
106.39420	0.3
112.31593	0.4
113.02447	7.0
114.02696	1.4
115.02766	0.4
115.03938	0.6
119.03386	1.0
120.03779	0.4
125.02356	0.4
131.03477	2.9
132.03693	0.5
143.03375	0.9
159.02846	0.9
161.04533	2.0
162.04832	0.3
163.04816	0.3
181.57266	0.3
183.96999	0.3
205.07115	0.4
213.19281	0.3
215.61098	0.3
229.88048	0.4
247.08162	0.4
275.07715	0.6
277.13876	0.4
316.05664	0.3
330.32571	0.3
525.33954	0.3
603.38788	0.6
605.40002	0.4
606.40912	0.4
765.44147	0.6
766.44574	0.6
767.45380	1.0
768.45319	0.7
927.49408	1.3
928.50244	0.6
929.49677	1.3
930.50623	1.3
1060.54236	1.1
1073.55298	49.5
1074.55762	5.5
1075.55969	35.4
1076.56238	64.8
1136.54858	100.0
1137.53394	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	114.0561
Annotation	Proline
Peak:m/z	Relative Intensity
59.01356	0.6
66.03481	1.4
69.85063	1.7
71.01379	9.5
75.70934	0.6
85.92299	0.5
86.02477	1.1
98.22537	0.6
102.03812	0.5
114.05606	100.0
115.00356	1.3
115.05945	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	1149.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.8
85.02943	2.4
89.02422	1.5
101.02438	4.3
101.18701	0.7
103.00476	9.3
103.01490	100.0
113.02449	2.9
119.03471	0.8
131.03484	1.3
161.04581	1.0
195.81937	0.6
200.31735	0.6
242.96127	0.7
457.92148	0.7
589.40771	0.8
667.96643	0.7
751.46167	1.5
913.51563	5.8
1045.55859	90.6
1046.55200	1.6
1047.25012	0.8
1047.56177	0.8
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	Maleic acid
Peak:m/z	Relative Intensity
54.20456	0.7
58.86259	0.8
71.01380	100.0
71.32816	0.8
71.40994	0.9
72.01715	3.0
88.93878	0.8
96.82436	0.7
114.89388	1.2
115.00371	9.7
124.44289	0.7
128.63329	0.6
130.57501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.554
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.5
83.00911	0.3
83.01379	3.4
84.95116	0.3
85.02948	11.5
86.00105	0.6
87.00867	3.6
87.04500	0.8
89.01928	0.3
89.02448	4.4
94.99933	0.2
95.01399	1.8
97.02946	1.3
99.00878	1.9
99.04531	0.3
101.02439	12.9
103.04015	0.7
109.02908	0.4
111.00876	0.6
112.01664	1.1
113.02447	10.4
115.04015	1.4
119.03490	1.9
125.02457	1.9
127.03976	0.5
129.01956	0.2
131.03494	3.9
137.02426	0.3
138.91270	0.2
143.03488	3.2
145.05067	0.6
155.03494	0.3
159.02991	1.1
161.04553	2.9
163.06119	0.5
167.03484	0.2
179.05594	0.3
200.85374	0.2
205.07137	1.2
232.56795	0.2
275.07709	0.9
299.26053	0.2
423.32739	0.4
471.34924	0.9
585.37787	0.3
603.38977	1.7
725.51355	0.2
747.43597	0.6
765.44269	3.8
909.48364	1.4
911.50482	0.8
927.49384	5.1
969.50751	2.5
1055.54224	18.7
1073.55310	28.4
1074.56226	0.6
1115.56384	100.0
1116.54395	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	1161.5708
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01375	3.7
85.02943	14.4
86.00066	0.4
87.00888	3.0
87.04492	0.8
89.02444	5.7
95.01379	2.4
96.95994	0.3
97.02950	1.3
99.00867	1.6
101.02441	16.4
103.03999	0.4
111.00836	0.4
112.01659	1.0
113.02441	12.4
113.03243	0.6
115.03998	1.2
119.03496	2.1
125.02456	1.3
131.03497	5.0
141.95613	0.4
143.03503	1.9
146.54208	0.4
159.02956	0.9
161.04539	3.0
163.06183	0.4
177.01878	0.4
179.05576	0.5
205.07217	0.6
275.07773	1.3
647.41785	0.8
809.46564	2.1
943.48560	0.4
955.52472	1.3
971.52338	5.8
1075.55688	0.9
1117.57886	100.0
1118.56543	1.9
1161.56946	37.0
1162.55896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
82.88817	0.5
82.95399	1.1
83.01382	2.1
84.95119	5.4
85.00433	13.6
85.02951	6.8
86.00763	0.9
87.00872	10.2
88.53595	0.5
89.02440	3.3
89.34031	0.4
95.01373	1.4
95.73474	0.4
99.00843	1.5
101.02441	10.2
103.04025	0.5
109.59185	0.5
110.63986	0.5
113.02438	6.6
119.03503	1.3
131.03479	2.6
143.03456	1.5
159.03027	0.8
161.04546	2.2
163.11017	0.5
195.34100	0.6
205.07088	0.8
275.07809	1.0
581.25439	0.6
603.39087	1.4
765.44336	2.3
911.49390	0.9
927.50110	2.9
1073.55298	100.0
1074.54724	3.1
1075.55579	5.0
1076.56335	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	1163.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01374	0.5
85.02956	2.8
88.65574	0.5
89.02457	1.4
89.66995	0.5
91.77454	0.4
99.00853	0.5
99.92583	0.6
101.02433	3.7
103.00367	6.6
103.01487	100.0
113.02454	2.2
116.92828	2.7
122.34135	0.5
125.02456	0.7
128.73795	0.5
131.03502	0.8
161.04532	1.1
256.98477	0.5
406.00620	0.6
462.38635	0.5
622.66724	0.5
751.45557	1.2
913.51459	2.4
1000.41150	0.5
1045.54797	0.6
1059.57373	98.4
1060.57483	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01871	0.6
61.38538	0.4
70.40763	0.4
73.02945	100.0
74.02489	0.4
74.03281	2.4
99.00875	7.8
99.92582	1.0
108.50553	0.4
116.92859	3.4
117.01938	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	1175.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	2.6
85.02945	12.3
87.00858	3.1
87.04498	0.9
89.02453	3.1
95.01384	1.8
97.02961	0.9
99.00877	1.7
101.01776	0.8
101.02438	11.0
103.04002	0.7
112.01644	0.5
113.02447	11.1
115.03982	1.3
119.03494	1.4
125.02428	1.9
131.03496	3.8
131.80612	0.4
137.02417	1.0
143.03499	2.4
155.03407	0.6
159.03023	0.9
161.04572	2.7
163.06107	0.6
205.07133	1.0
213.32373	0.4
275.07736	0.9
299.73871	0.4
413.34305	0.9
441.33411	0.5
443.35657	0.5
458.74628	0.5
487.34451	1.6
619.38025	2.7
745.42932	0.6
781.43817	4.1
925.47955	1.8
943.48944	7.4
985.49622	3.5
1071.53833	23.9
1089.54797	35.4
1090.56604	0.7
1131.55908	100.0
1132.56165	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	1177.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01421	0.7
85.02924	2.0
89.02425	1.2
95.01339	0.5
95.97780	0.4
98.22565	0.7
99.00874	0.4
101.02448	4.5
103.00368	5.1
103.01492	85.0
108.59135	0.4
113.02437	2.6
116.16064	0.4
116.92858	0.6
118.20313	0.4
119.03498	0.4
119.40271	0.4
125.02431	0.4
131.03482	1.1
149.99840	0.4
161.04543	1.0
179.37927	0.4
217.83299	0.4
363.30984	0.4
603.39404	0.6
765.44250	1.1
927.48663	2.6
992.11115	0.6
1073.55310	100.0
1074.54883	2.3
1075.57251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	0.5
85.02444	0.6
85.02946	7.1
87.00867	1.4
89.02445	1.1
95.01378	2.4
98.21849	0.6
99.00877	4.4
101.02435	2.4
103.00361	0.6
106.67157	0.3
109.02969	0.5
112.01647	0.4
113.02445	7.6
115.00344	0.7
117.01899	0.7
119.03490	0.7
123.14350	0.3
125.02441	1.3
129.01924	0.6
131.03493	0.5
157.01451	0.5
161.04466	0.5
169.01379	0.5
175.02487	1.3
176.07234	0.3
177.01912	0.8
183.17418	0.3
184.98750	0.3
213.97173	0.3
231.05040	0.4
249.06154	4.1
275.07654	0.4
296.12521	0.3
443.73093	0.3
487.34348	2.2
515.34235	0.5
553.34729	0.4
571.36572	0.5
601.37299	2.0
619.38501	9.8
671.48315	0.4
781.43542	2.0
1193.55908	100.0
1194.55640	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	123.0088
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
66.03484	21.3
67.01881	2.0
68.99815	3.9
71.41097	2.2
71.41505	1.7
78.03476	2.2
80.05064	2.4
81.03456	4.6
82.03006	1.8
90.22117	1.5
94.02981	64.9
95.01384	100.0
96.01730	4.5
96.04553	10.9
103.96095	1.6
109.01683	2.1
121.17118	1.8
122.02502	4.2
122.99979	3.3
123.00883	63.8
123.02771	4.3
123.04531	12.2
123.05673	1.9
124.00404	1.8
124.01714	15.3
124.04041	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0447
Annotation	Orcinol
Peak:m/z	Relative Intensity
51.27044	2.6
53.88166	2.7
57.36221	3.2
57.87436	2.6
61.56407	2.7
66.03486	10.0
68.30846	2.7
69.26695	7.9
69.27103	7.2
81.03453	100.0
82.03799	4.4
92.53856	2.6
94.02985	18.0
95.01365	25.9
106.24220	3.6
123.00893	18.8
123.02879	3.1
123.04536	35.4
124.04094	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	125.0241
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
56.44302	0.9
57.03438	3.7
62.83765	0.8
69.03453	6.8
79.01879	1.2
79.37081	0.9
81.03453	4.5
82.02969	1.3
83.01379	1.3
95.03259	1.0
96.99342	1.4
97.02953	8.1
102.63120	0.8
107.01414	1.1
115.54429	1.0
124.01691	2.0
125.02452	100.0
126.01997	1.8
126.02796	5.2
134.94792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99552	1.0
57.03445	11.1
59.15994	1.2
59.76223	1.0
67.01878	1.0
69.03455	17.3
69.50648	4.0
77.51147	1.1
79.01885	1.9
81.03457	6.1
82.02983	2.1
83.01382	9.2
84.00919	1.4
95.03305	2.0
96.99303	2.2
97.02939	12.5
107.01411	2.2
123.00866	1.4
124.01675	2.7
124.98765	1.9
125.02446	100.0
125.04304	2.1
126.01967	4.2
126.02802	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	125.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86480	0.8
53.84610	0.8
57.03439	5.8
59.01370	1.5
65.99832	0.8
67.01854	1.3
67.03806	1.3
69.03452	15.1
70.27711	1.7
71.91989	0.8
76.70715	0.8
79.01888	1.9
81.03465	4.9
82.02975	2.5
83.01381	3.2
87.37055	0.9
95.01379	1.3
95.03324	2.0
96.99323	5.9
97.02950	11.5
97.97942	1.0
98.21861	1.1
99.59457	0.8
107.01333	1.0
111.31488	0.8
113.33663	0.8
115.88934	0.9
124.01704	1.6
124.98818	3.0
125.02443	100.0
126.01945	3.9
126.02738	4.7
134.96146	0.9
144.36157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55409	0.8
57.03448	8.1
64.35779	0.6
67.01908	0.9
69.03457	9.2
69.06285	4.8
70.91302	0.6
79.01885	2.4
79.95699	0.7
81.03461	5.0
82.03007	1.7
83.01374	3.3
86.10207	0.8
86.41347	0.7
95.01380	1.3
96.99310	2.6
97.02967	7.3
98.21893	1.8
103.28507	0.7
105.25768	0.7
107.01428	1.0
109.37124	0.7
124.01684	2.5
125.02447	100.0
126.01996	1.4
126.02799	4.4
144.57162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
57.03442	2.3
60.18287	0.7
63.18216	0.7
64.49749	0.6
69.03452	10.7
70.27631	1.7
74.65273	0.7
79.01899	2.1
81.03450	4.5
83.01381	1.5
95.01389	1.1
95.03299	1.3
96.99326	4.2
97.02950	8.5
123.01006	0.8
124.01665	1.7
124.98833	2.1
125.02442	100.0
126.01943	1.6
126.02793	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	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
59.01361	20.8
70.41096	4.4
70.78071	4.4
72.39285	4.0
109.06626	4.4
117.26038	4.4
126.89607	5.9
126.90427	34.6
127.00331	5.3
127.07639	100.0
128.03534	13.2
128.07155	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	128.0354
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
54.52009	0.8
54.76180	0.9
57.03446	1.0
62.94604	0.9
66.47919	1.0
67.46622	0.9
69.85162	2.1
72.01680	1.0
78.02032	0.9
82.02978	3.4
83.84269	0.8
84.04540	1.3
85.02942	4.9
85.82385	0.9
98.21910	1.2
110.18530	0.8
123.81722	0.9
128.03537	100.0
128.07170	48.7
129.03893	3.4
129.07541	2.7
142.38884	0.9
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
50.77652	0.8
54.66505	0.9
57.03460	1.3
61.54650	1.0
63.25204	0.9
67.01894	1.5
69.98569	2.2
82.02970	3.4
85.02960	4.8
98.22610	1.3
128.03542	100.0
128.07172	60.0
129.03903	2.9
129.07578	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	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.00885	1.0
61.07496	1.1
67.01881	4.7
69.51390	1.7
69.51783	2.1
73.82842	0.9
82.02975	2.8
84.04529	1.2
85.02959	5.0
90.41341	0.9
90.51583	0.8
98.22600	0.9
108.73966	1.0
116.24869	0.9
118.25821	0.9
128.03537	86.0
128.07172	100.0
129.01936	2.1
129.03902	4.6
129.07521	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	128.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
57.94103	0.6
67.01882	1.6
67.32349	0.4
71.01388	1.4
82.02980	1.1
84.04535	0.5
84.66207	0.5
85.02937	3.8
125.38463	0.6
128.03543	32.3
128.07175	100.0
128.90059	0.6
129.01933	1.3
129.03917	0.6
129.05521	0.6
129.07509	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	128.0718
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
57.03436	2.1
62.30967	0.5
67.01884	5.2
68.99804	1.3
69.94437	1.1
73.02936	1.1
82.06616	0.6
83.01437	0.6
85.02934	3.5
87.00865	0.8
97.54174	0.5
106.98760	0.6
107.28196	0.7
115.95173	0.5
128.03520	1.4
128.07173	100.0
129.01926	1.3
129.07520	5.5
136.96667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14184	1.0
55.01871	2.8
57.03447	12.8
66.03484	3.2
67.01888	24.2
68.05059	5.7
68.99813	2.2
70.63009	1.8
71.01381	12.9
72.99301	1.1
73.02939	6.7
82.02985	3.5
83.01405	1.6
84.04547	10.5
84.12285	1.0
85.02943	16.1
86.02476	3.3
86.39701	1.2
87.00880	1.6
88.04037	15.1
93.80444	1.0
99.00873	1.7
101.02460	2.2
112.04056	4.4
128.03537	49.2
129.01938	6.1
129.07480	3.3
130.05101	100.0
130.08742	4.8
131.13387	1.2
134.02103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01880	8.0
57.03442	48.9
67.01888	100.0
68.99801	4.1
71.01384	8.9
71.12814	4.0
72.99287	5.2
73.02960	6.5
79.82812	3.4
80.79176	3.5
84.04584	4.2
85.02941	20.4
88.04023	19.1
112.04053	5.8
117.12594	3.6
121.78764	3.9
128.03545	28.1
129.01953	13.5
129.07535	12.0
130.05107	59.4
139.28185	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01873	11.1
57.03446	46.3
58.30299	3.5
67.01890	100.0
68.05069	5.7
70.62813	4.3
71.01369	11.3
73.02957	5.0
83.01356	5.1
85.02954	15.4
88.04057	9.0
97.37779	4.0
101.60320	3.9
128.03557	23.0
129.01929	16.1
129.07584	4.2
130.05109	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	130.051
Annotation	Trans-4-Hydroxy-L-proline
Peak:m/z	Relative Intensity
51.54066	0.9
57.03437	2.8
62.29432	0.9
66.03474	4.3
66.29465	0.8
68.02212	1.1
68.05057	6.3
69.44591	3.6
71.01376	10.0
73.02939	10.7
82.02978	4.4
84.04543	11.2
85.02952	2.4
86.02468	4.7
87.04514	1.3
88.04035	10.7
99.00907	1.1
100.93367	1.7
112.04013	4.3
128.03537	50.9
129.03885	1.2
130.05098	100.0
130.08716	4.6
131.03502	0.9
131.05438	4.5
134.91049	0.8
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
53.56028	0.8
69.33170	0.7
69.97887	1.6
71.01390	0.8
73.02946	5.5
86.06137	0.8
88.04044	2.3
128.03542	2.9
130.05104	6.8
130.08733	100.0
131.08218	1.9
131.09079	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	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03444	1.2
60.90702	0.9
68.99812	2.2
69.03484	1.2
69.83676	2.3
69.84013	1.8
71.01366	1.7
71.67304	1.1
73.02940	15.7
85.02962	3.1
85.06586	100.0
86.06920	2.8
86.79485	0.9
87.04520	7.6
101.02454	1.0
113.06084	1.7
129.05508	1.1
131.03490	2.6
131.07141	51.9
132.07454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
56.94456	0.9
57.03448	1.2
58.32565	1.1
59.01377	100.0
60.01710	0.8
68.99817	2.0
69.26480	4.9
71.01377	2.9
73.02943	17.5
85.02937	3.2
85.06583	1.9
87.04507	5.2
123.50657	0.9
131.03508	1.6
131.07144	7.3
132.07455	1.1
144.39337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0305
Annotation	D-Aspartate
Peak:m/z	Relative Intensity
52.58316	0.3
55.07695	0.3
59.01368	1.4
59.11694	0.3
68.59120	0.3
70.02961	0.5
70.97044	0.4
71.01379	69.4
72.00904	1.3
72.99305	13.2
78.95911	0.3
83.26198	0.3
87.00877	1.0
88.04038	53.7
89.02442	6.6
89.04357	1.7
96.96970	0.8
102.32454	0.3
107.83009	0.3
111.56105	0.3
114.01971	3.0
115.00371	100.0
116.00673	0.5
131.88991	3.4
132.03023	15.5
132.88641	6.7
132.90013	1.4
133.01430	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02047	1.0
59.01379	1.1
67.21787	1.1
69.52794	3.8
71.01379	71.2
72.34312	1.0
72.99303	15.4
87.00896	1.3
89.02442	9.1
115.00368	100.0
116.00716	1.6
133.01421	26.4
142.10043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
52.77703	0.8
59.01382	1.4
62.19003	0.8
71.01381	72.3
71.18796	0.9
72.01740	1.5
72.99311	17.5
82.06837	0.9
82.71867	0.8
84.37908	0.8
87.00901	0.8
89.02450	7.7
90.00426	0.8
99.39852	0.9
115.00374	100.0
116.00700	2.3
133.01436	21.7
134.01642	0.8
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
53.43230	0.3
57.57810	0.2
65.01437	0.5
66.65401	0.2
67.32213	0.2
68.02510	0.3
69.76609	0.7
69.76945	0.3
73.79061	0.2
92.02534	6.0
95.78180	0.3
107.03632	24.7
108.03965	0.9
116.00751	0.3
134.04724	100.0
135.03023	0.4
135.03502	0.4
135.05051	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	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58097	0.5
57.01604	0.6
65.00346	0.6
65.03951	1.4
67.01892	0.6
69.03427	1.2
71.44498	0.5
81.03445	2.3
83.01376	4.5
91.01847	0.7
93.03454	53.2
94.03800	2.0
108.02159	8.3
109.02944	7.4
109.04902	0.6
110.02458	0.8
119.01319	0.7
122.03757	1.3
136.01653	6.8
136.86270	7.6
136.89191	3.7
137.02441	100.0
137.09668	1.2
138.01949	8.1
138.02815	4.9
138.05550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
52.32766	0.3
59.78010	0.3
64.92813	0.3
65.03951	0.9
66.25515	0.3
81.26959	0.3
93.03458	100.0
94.03790	4.4
108.02158	2.4
109.02963	0.9
136.01674	0.3
136.86293	2.9
136.89186	3.3
137.02452	23.5
138.01968	4.1
138.02821	0.9
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
55.92714	0.5
65.03960	0.7
80.62791	0.4
93.03457	100.0
94.02971	0.5
94.03806	4.2
108.02171	5.3
109.02955	1.7
112.71208	0.4
113.79557	0.4
114.99136	0.4
123.25457	0.4
136.86288	5.3
136.89169	2.3
137.02451	28.2
138.01944	9.5
138.02740	0.8
141.55548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63777	0.5
51.21581	0.4
65.03935	1.1
69.03457	1.4
72.30939	0.5
72.82398	0.5
76.42529	0.5
81.03453	2.4
83.01373	4.3
91.01917	0.7
93.03454	25.3
94.03779	0.9
98.21846	0.9
100.36919	0.5
108.02171	5.1
109.02944	6.1
117.18816	0.4
119.01396	0.9
132.61784	0.5
136.01645	6.7
136.86284	4.0
136.89156	2.0
137.02443	100.0
137.09749	0.6
138.01872	3.9
138.02870	3.9
142.57553	0.5
142.89862	0.4
146.50180	0.5
156.01158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97200	3.3
65.00326	3.9
69.34184	10.3
69.34586	6.7
75.06125	3.2
81.03450	100.0
93.03463	32.1
93.04585	6.9
99.92600	7.7
108.02184	12.4
113.55170	3.3
122.32326	3.4
136.01689	4.2
136.86282	73.8
136.89169	86.9
137.02473	27.7
137.06079	87.1
137.89107	3.3
138.01973	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.41355	1.9
88.74510	0.4
93.03457	0.9
94.03781	2.7
108.02174	53.9
109.02492	1.9
123.61617	0.4
138.01967	100.0
139.02292	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	8.8
55.14953	1.2
59.01368	3.9
63.00896	0.9
68.99801	1.7
69.03449	5.5
70.56158	1.4
71.01379	17.7
71.05030	1.2
72.00900	4.1
72.99291	1.6
80.05075	1.1
80.99808	2.0
81.03443	1.3
82.60651	1.0
84.02130	1.2
85.02961	2.6
87.00878	4.8
96.99297	9.3
98.06099	4.0
99.04509	3.5
100.07698	1.3
102.05592	1.4
102.06237	1.2
111.00872	1.6
112.98803	13.0
115.04019	1.6
124.98807	24.8
125.02434	8.3
126.05602	1.8
140.98331	5.8
142.05084	11.2
142.99861	45.5
143.03528	2.3
144.00166	1.0
144.06653	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	17.6
57.27353	2.9
59.01381	12.8
68.99824	3.3
69.03452	3.8
71.01379	45.4
72.99284	2.2
77.49118	2.4
79.05388	2.4
80.99825	5.3
81.03444	3.3
83.01365	3.2
85.02948	5.0
87.00871	8.7
96.99299	18.6
99.04537	8.3
102.05630	4.7
111.22577	2.4
112.98818	28.0
113.71384	2.2
115.00370	6.0
115.04047	4.7
124.98807	46.1
125.02464	5.0
140.98296	8.0
142.05103	2.8
142.99864	99.9
143.02426	5.3
143.03554	9.5
143.10799	11.6
144.00142	5.4
144.04605	4.2
144.06686	26.9
144.10303	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	143.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.5
58.00587	3.6
58.02955	3.0
59.01369	6.2
67.01881	25.2
69.03455	7.9
71.01383	19.0
71.05023	1.8
72.00903	3.2
73.02938	3.9
81.03451	5.0
85.02972	8.8
87.00883	5.5
88.04050	3.3
95.01448	2.0
96.99309	2.3
97.02972	3.9
98.06105	4.9
98.21916	5.0
99.04511	23.2
100.03989	1.6
100.07646	2.6
102.05610	10.5
105.93098	2.0
111.00874	78.6
112.01219	3.5
112.98804	2.6
115.04007	4.9
124.98830	5.5
125.02435	7.6
137.16287	1.6
142.05084	14.3
142.99838	10.0
143.02489	3.0
143.03523	11.4
143.10764	3.0
144.04709	3.1
144.06660	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	143.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12127	1.2
53.00317	2.1
55.01868	1.3
55.82328	1.1
58.02971	2.4
59.01379	4.8
67.01890	13.5
67.62737	1.1
69.03451	6.7
69.57992	2.4
71.01378	16.5
71.05022	2.2
72.00902	3.6
72.99303	1.5
73.02939	3.2
81.03461	2.9
83.01389	1.8
85.02958	11.8
87.00872	9.1
88.04033	1.6
96.99310	2.1
97.02957	3.0
98.06122	5.8
98.22575	1.8
99.04514	12.0
100.00412	2.4
100.04062	1.6
100.07664	2.6
102.05611	11.3
111.00881	47.4
112.01208	1.7
112.98812	4.8
115.03239	1.2
115.04025	4.1
124.98795	8.3
125.02460	9.4
126.05618	2.9
140.98279	1.6
142.05084	13.5
142.99841	16.0
143.02493	2.1
143.03522	7.8
143.10832	2.3
144.06662	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	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
69.70658	0.7
69.70982	0.5
79.33120	0.4
83.05047	0.3
96.84874	0.4
98.21902	0.4
99.15363	0.4
102.03502	0.9
109.79357	0.3
144.04552	100.0
145.04915	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	144.0666
Annotation	trans-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
54.46403	0.7
55.01873	0.8
58.02976	2.2
59.01375	1.0
61.82724	0.7
63.96769	0.8
69.03444	4.1
69.55995	2.1
71.01377	1.8
71.91328	0.7
72.00902	5.7
74.02460	1.1
74.08363	0.6
84.04549	2.6
88.04034	1.1
98.06097	6.1
98.21881	1.5
100.00404	3.3
100.07686	2.0
101.07224	0.9
102.05608	12.1
109.04087	2.1
125.02446	7.0
126.05597	2.1
127.05145	4.5
128.03561	2.4
142.05089	14.3
144.06662	100.0
145.06168	2.9
145.07034	3.0
145.09810	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	144.1031
Annotation	N-METHYLISOLEUCINE
Peak:m/z	Relative Intensity
50.00152	1.3
51.12555	1.1
64.82103	1.4
102.05590	3.2
103.34341	1.3
125.02444	1.6
128.71606	1.3
140.74306	1.3
141.57018	1.2
142.05098	1.6
144.04533	1.9
144.06662	12.8
144.10304	100.0
145.09830	4.1
145.10771	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	145.0619
Annotation	glutamide
Peak:m/z	Relative Intensity
58.02964	7.6
61.51068	3.3
70.55621	5.1
70.55979	3.6
74.02466	12.1
82.26488	3.4
84.04532	21.4
86.02478	4.5
101.07198	6.9
102.05599	100.0
109.04066	21.5
125.03564	10.0
127.05138	61.7
128.03537	65.8
145.06168	45.4
146.04613	18.0
156.44438	3.8
159.68893	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
54.30995	0.5
71.27704	0.8
72.99306	0.8
83.05042	0.9
97.06599	2.7
99.08159	100.0
100.08470	3.7
101.06084	0.8
102.05598	0.8
117.03443	0.9
127.07687	0.8
135.71964	0.5
143.07219	0.8
145.02917	1.2
145.08708	49.8
146.02483	1.2
146.09047	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.1
69.72250	2.1
70.61599	0.7
71.01366	2.2
74.02468	3.1
75.00881	0.9
77.40712	0.6
84.04536	0.9
85.02947	2.3
99.00877	2.6
100.04056	1.0
102.05608	100.0
103.05952	1.9
128.03539	38.2
128.15334	0.6
129.03886	1.0
146.04594	18.9
154.03462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
55.90667	0.8
57.03448	4.6
59.01370	2.3
68.12148	0.8
69.31215	4.5
71.01373	3.6
72.99276	1.1
74.02467	2.4
74.06353	0.8
74.37418	0.7
83.23609	0.7
85.02950	15.0
87.00879	11.5
100.07621	0.9
101.02439	3.3
102.05608	100.0
103.04018	4.1
103.05954	2.4
128.03542	38.4
129.01945	13.4
129.03880	2.0
146.02505	3.2
146.04588	17.8
146.08258	1.8
147.03033	4.7
147.04570	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	147.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	34.5
59.01376	16.4
68.05039	5.4
71.01380	26.0
71.04996	2.7
72.99308	5.7
73.02942	5.4
75.00873	3.5
85.02947	97.3
86.03300	2.7
87.00874	100.0
98.22649	5.5
99.00883	8.2
101.02425	22.9
102.05598	5.9
103.04000	27.3
103.05943	12.1
106.87563	2.2
129.01942	82.2
129.03867	5.0
130.02289	3.0
130.05070	2.9
147.01974	4.3
147.02995	42.6
147.04561	7.0
147.06615	4.9
162.06898	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	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03448	34.5
59.01376	16.4
68.05039	5.4
71.01380	26.0
71.04996	2.7
72.99308	5.7
73.02942	5.4
75.00873	3.5
85.02947	97.3
86.03300	2.7
87.00874	100.0
98.22649	5.5
99.00883	8.2
101.02425	22.9
102.05598	5.9
103.04000	27.3
103.05943	12.1
106.87563	2.2
129.01942	82.2
129.03867	5.0
130.02289	3.0
130.05070	2.9
147.01974	4.3
147.02995	42.6
147.04561	7.0
147.06615	4.9
162.06898	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	147.0299
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
51.37840	4.2
54.01134	4.1
55.10578	4.5
56.90425	4.3
57.03458	35.9
59.01377	100.0
69.53497	8.2
70.99804	4.0
71.01373	71.4
71.05031	8.9
72.99303	14.6
73.02947	9.8
75.00876	33.3
83.01372	9.3
85.02947	75.2
87.00872	56.0
89.02436	7.7
98.21928	10.4
99.00878	44.6
101.02457	20.4
101.06062	6.5
103.04007	18.0
103.05949	19.0
103.62325	3.9
129.01939	41.1
129.03897	6.8
147.01971	10.6
147.03014	28.9
147.04533	45.2
147.06551	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
50.45621	1.6
55.01870	12.5
57.03450	2.8
59.01377	39.8
69.03445	3.8
69.31609	7.3
71.01380	33.6
72.99305	2.2
73.02942	54.7
75.00869	17.1
77.80911	1.9
85.02947	5.2
87.00892	9.0
89.02444	100.0
92.95993	3.2
101.02441	4.6
103.04009	7.7
129.01959	2.3
131.03505	24.4
149.04550	71.0
150.04880	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	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56960	1.6
55.01880	7.1
59.01376	24.7
63.00342	1.7
69.03459	2.5
69.61495	5.0
69.61842	1.4
71.01012	2.5
71.01383	31.1
72.99296	3.7
73.02943	42.3
75.00877	9.8
85.02949	5.4
87.00874	7.8
89.02441	100.0
92.96006	1.6
98.21936	3.3
101.02425	2.9
103.04007	6.4
121.02971	1.9
131.03500	15.4
149.04553	63.0
152.32492	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	151.04
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18888	0.2
59.01355	0.5
61.96629	0.2
66.03497	0.2
71.01383	0.5
78.09172	0.2
78.76651	0.2
83.51021	0.2
85.02515	0.2
89.02440	0.5
92.02679	1.9
95.01361	0.7
101.02464	0.4
107.05029	0.5
108.02173	4.6
122.03747	1.5
123.04555	0.2
136.01657	100.0
137.02016	3.4
151.04005	10.0
151.05212	0.5
151.07640	2.9
152.04437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	4-Hydroxy-3-methylbenzoic acid
Peak:m/z	Relative Intensity
50.00246	0.2
59.01371	0.4
65.03934	0.2
69.40701	0.2
69.41032	0.7
70.65102	0.2
70.82769	0.2
71.01366	0.4
82.85275	0.2
87.87007	0.2
89.02441	0.4
92.02663	0.7
101.02445	0.4
106.04253	0.2
107.05027	100.0
108.02162	0.6
108.05354	3.0
119.49141	0.1
121.02928	0.2
122.03693	0.2
123.04504	0.3
132.53537	0.2
136.01657	5.4
137.02014	0.2
151.04004	20.3
151.07608	0.7
152.04388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.36068	0.2
56.69785	0.2
57.50648	0.2
58.91725	0.2
59.51382	0.2
68.18336	0.2
70.53220	0.2
70.57242	0.4
90.92357	0.3
98.22548	0.3
106.04282	0.3
108.02200	0.3
108.04589	0.3
109.02972	1.3
110.00076	0.2
121.02980	0.8
122.03741	34.5
123.04082	1.2
137.01999	0.6
137.99579	0.4
146.66481	0.2
152.03531	100.0
153.01915	0.6
153.03879	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	152.0354
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
51.13102	0.2
61.97641	0.2
66.03473	0.7
69.55090	0.6
69.55482	0.3
77.67044	0.2
81.03481	0.3
106.04259	0.6
108.02204	0.5
108.04556	0.4
109.02951	1.6
110.00113	0.3
117.21275	0.2
121.02964	0.8
121.36288	0.2
122.03738	37.0
123.04092	1.3
137.01984	0.5
137.99593	0.3
152.03528	100.0
153.01910	0.7
153.03908	3.5
153.05258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0191
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
50.08503	0.6
71.01382	0.7
81.03458	2.1
82.03017	1.0
91.01905	1.1
98.21889	1.9
108.02171	7.8
109.02950	100.0
110.00068	0.8
110.03292	3.2
125.02452	1.0
137.21330	0.6
137.99600	1.6
138.02255	0.7
151.00345	0.8
153.01930	22.6
153.05550	1.5
158.77081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0191
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.18967	0.7
57.03439	3.1
61.71033	0.9
63.02390	1.9
65.00325	8.7
67.01878	2.7
68.99809	6.2
70.58963	1.5
81.03472	4.0
82.02989	1.3
83.01387	23.3
85.02946	2.8
107.01390	12.2
108.02163	3.7
109.02950	87.8
109.06609	0.9
110.03280	1.9
111.00890	1.6
123.00894	2.0
125.02448	11.2
137.99626	1.8
138.02118	1.1
138.03227	1.1
151.00375	51.3
152.00662	1.0
153.01935	100.0
154.02271	2.5
169.01491	1.1
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
51.42636	0.5
55.21025	0.5
61.18002	0.5
61.84569	0.5
65.03967	1.1
67.01884	1.0
69.88866	1.3
69.99568	0.5
71.20911	0.5
79.01891	0.6
81.03451	3.7
84.34010	0.5
85.02942	1.1
87.59872	0.5
95.01379	1.3
97.02962	1.1
108.01090	0.7
108.02171	46.4
109.02953	100.0
110.00075	1.0
110.03311	1.9
123.00896	1.6
124.01691	0.6
125.02439	1.7
137.99628	0.6
152.01138	1.4
153.01932	89.0
154.02284	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	153.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.8
68.78365	0.2
69.03468	1.2
69.99893	0.7
79.01895	1.1
80.94476	0.2
81.03458	2.3
83.01392	0.2
97.02948	1.2
98.22544	0.6
100.43464	0.3
107.01390	0.5
108.02183	1.0
109.02950	8.1
110.00120	0.3
110.03262	0.4
123.00860	0.3
124.01624	1.3
125.02453	3.5
130.46347	0.3
151.00351	0.3
152.01154	3.9
153.01938	100.0
154.02257	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	154.0147
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
53.37006	0.3
63.25741	0.3
65.99851	1.3
69.45129	0.3
69.45437	1.5
82.03004	0.6
87.00889	0.3
95.01405	0.5
102.44814	0.3
107.01380	0.7
108.02151	0.4
108.85760	0.3
109.01672	0.4
110.03257	0.3
111.00953	0.4
123.00897	9.2
124.01666	26.6
125.02013	0.7
154.01463	100.0
155.01857	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01857	2.4
59.01372	6.9
67.01884	2.6
69.33703	8.6
83.01372	9.7
83.49359	1.8
85.02953	4.4
91.53700	1.6
96.96001	15.0
96.96998	2.0
111.00889	3.0
113.02428	6.2
114.05582	2.3
127.93154	8.1
128.13629	1.9
140.01143	2.1
149.33345	1.8
154.86818	2.7
154.90575	3.2
155.07173	2.1
155.10779	100.0
155.86584	7.0
156.11128	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01870	1.0
69.11822	3.5
83.01374	2.9
86.77105	0.6
96.96041	1.3
98.00098	0.9
111.00884	0.8
111.08167	1.6
114.05600	0.7
127.93127	0.8
155.10779	100.0
156.11072	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	156.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44354	0.3
59.01377	100.0
60.01707	1.2
68.99784	0.3
69.03456	1.8
71.01382	0.6
71.04912	0.4
72.25742	0.3
77.58780	0.3
85.02954	0.4
95.05005	0.3
96.04569	0.7
99.00912	0.6
112.04031	0.3
112.07732	0.3
113.02460	1.0
114.03050	0.3
114.05594	0.3
115.00418	0.4
115.05969	0.9
115.56708	0.3
127.00401	0.7
140.71509	0.3
157.01524	0.8
157.05089	0.3
157.08713	0.5
157.12396	0.8
158.08269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01718	0.7
60.44170	0.3
69.90672	0.6
69.91038	0.5
87.44442	0.3
98.21880	0.4
118.17354	0.3
121.27618	0.3
126.06738	0.3
138.10474	0.3
151.09538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.3
59.01377	100.0
60.01704	1.0
65.16239	0.3
69.03465	1.3
69.64981	1.0
71.01376	0.5
75.00879	0.6
85.02931	0.4
99.00881	0.7
113.09752	0.3
115.00364	0.4
116.07195	0.7
127.00417	0.5
156.89499	1.0
157.01411	0.4
157.05083	0.5
157.07678	0.7
157.08752	0.8
157.12288	1.5
158.08284	0.8
169.05975	0.3
170.50101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0663
Annotation	(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
51.28328	0.3
59.01369	1.6
62.78663	0.4
63.84482	0.4
69.03445	1.5
69.25660	2.5
71.01369	1.1
73.02943	1.2
83.05050	0.4
83.57792	0.4
84.93855	0.7
87.00862	0.8
95.05028	16.9
97.06589	100.0
98.06919	3.2
98.52898	0.5
99.00888	0.7
99.92582	8.2
101.02431	0.6
106.22782	0.4
113.02468	0.4
114.94933	7.4
115.07648	27.6
116.07972	0.4
116.92860	27.6
117.92848	0.9
141.05565	1.8
158.93864	3.9
159.06631	32.3
160.04036	0.6
160.06989	0.8
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	beta-Alanopine
Peak:m/z	Relative Intensity
56.05037	1.1
57.03443	6.9
58.02971	3.9
59.01374	6.4
60.47488	0.4
69.80367	1.1
69.80748	0.4
70.02966	0.8
71.01367	4.0
71.05006	3.1
72.99294	0.4
73.02941	4.4
74.02472	6.6
81.03475	0.6
83.01377	1.1
84.04542	25.7
85.02951	3.5
86.06117	3.3
87.00874	1.7
87.04518	1.1
88.04036	100.0
89.02430	0.8
89.04343	0.8
98.02473	2.7
98.03153	0.4
98.06108	10.3
99.00870	1.1
99.04510	3.6
101.02450	2.1
103.99370	0.4
112.04037	1.7
113.02454	0.7
114.05602	0.7
115.03994	1.8
115.07586	0.4
116.03526	1.4
117.05579	3.6
118.05098	7.0
130.05095	22.9
130.64322	0.4
131.03516	1.0
131.05421	0.7
142.05115	0.5
143.03522	0.5
159.89366	3.5
160.06142	21.0
160.09801	0.5
160.89258	0.8
161.04546	2.7
161.08170	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	161.0244
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
52.60155	0.8
55.85936	0.8
57.03442	2.5
59.01379	20.8
63.15688	0.9
69.03462	1.3
70.12804	2.4
71.01383	10.7
71.05016	24.8
72.99313	1.3
73.02941	36.0
77.03962	3.6
81.03450	2.8
83.01377	4.0
85.02947	19.3
87.00883	1.5
87.04507	11.0
89.02445	4.0
95.01344	1.2
95.04420	1.2
95.05028	22.2
97.02977	1.2
99.04514	32.1
99.20483	1.0
101.02460	2.1
105.03452	43.0
112.66068	0.9
113.02438	3.9
115.04004	12.4
115.07628	5.0
116.92870	0.9
117.03437	5.6
117.05571	36.1
118.05910	1.1
118.92699	1.1
125.48367	0.9
131.03479	7.2
132.02202	1.7
133.02968	10.5
160.84204	4.0
161.02441	100.0
161.04385	6.9
161.08183	64.2
162.02789	3.1
162.08536	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	161.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
57.03447	63.6
59.01377	46.9
59.39727	1.5
69.03455	2.2
70.60535	2.7
71.01378	31.3
71.01775	1.8
71.05019	32.5
73.02943	37.8
75.75571	1.2
81.03439	2.4
83.01395	6.6
85.02946	33.3
87.00871	34.5
87.04501	8.6
89.02455	5.6
95.01387	5.1
97.02952	2.9
99.00883	2.8
99.04517	100.0
100.04839	1.6
101.02438	55.7
113.02437	9.6
115.03995	16.6
115.07662	2.4
117.05576	31.1
125.02440	1.8
131.03519	10.3
143.03493	18.1
154.72008	1.2
161.02499	2.2
161.04558	56.0
161.08188	44.1
161.09517	2.5
162.04913	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.35148	0.8
57.03448	38.9
59.01376	38.1
65.73817	1.0
69.88631	1.5
69.88982	2.1
71.01386	8.7
71.05020	13.5
73.02940	23.1
81.03462	2.1
82.10612	1.1
83.01366	3.1
85.02943	15.0
87.00871	2.7
87.04515	4.1
89.02458	2.3
98.22501	1.5
99.04514	83.4
100.04862	1.4
101.02441	100.0
102.02762	1.4
113.02450	2.3
115.04015	6.1
117.04762	1.8
117.05565	16.7
131.03511	6.1
137.23907	0.9
143.03511	13.7
161.04567	27.0
161.08189	24.9
162.01994	1.3
175.22501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1121
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.49760	1.7
55.00074	1.8
56.94060	1.7
59.01388	2.3
64.69358	1.9
65.01437	4.2
71.13757	3.2
75.39352	1.8
93.45490	2.2
102.00689	2.0
106.53619	1.8
118.99271	4.2
162.83888	36.6
163.11285	100.0
164.11597	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	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
70.76315	1.3
72.00906	40.6
91.05524	4.4
100.85706	0.6
103.05524	5.2
110.84500	0.7
121.02940	2.4
147.04515	100.0
148.04874	2.7
164.07152	50.4
164.83553	1.3
165.07474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.44841	0.6
58.13524	0.6
60.97524	0.6
65.01086	0.5
71.44677	0.8
72.00908	38.6
86.37238	0.6
86.65200	0.7
91.05534	4.2
92.53423	0.6
96.95074	0.6
103.05531	1.7
118.06657	0.9
119.05102	0.6
120.04562	1.2
120.05363	1.0
121.02966	9.5
121.06584	0.9
125.94091	0.6
127.52167	0.5
135.04390	0.6
137.02444	0.6
140.36363	0.6
146.06148	0.6
147.04523	100.0
148.04868	3.0
149.01044	0.7
164.03531	1.5
164.07159	56.9
164.83597	1.1
165.01938	1.0
165.07576	1.1
180.60104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.98781	0.2
53.07257	0.2
57.03425	0.2
59.01383	1.1
64.32306	0.2
67.01881	0.3
71.01378	1.0
71.43965	0.2
72.99310	0.4
73.02937	0.3
75.00872	6.2
77.03966	4.4
85.64640	0.2
85.77181	0.2
87.00870	8.0
88.98825	0.3
89.02443	0.3
93.03453	0.6
96.95995	0.7
96.96997	0.3
99.00874	1.7
101.02437	0.5
105.01933	7.2
109.02968	0.2
117.01947	0.3
121.02953	100.0
121.06574	0.9
122.03280	2.6
129.01921	0.6
135.03081	0.2
137.02461	1.6
147.02991	0.9
147.89229	0.4
149.01009	0.4
150.03207	0.5
164.89539	6.5
165.01917	7.4
165.04042	7.7
165.05557	0.6
165.09201	0.4
166.01407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
53.24440	0.5
60.19970	0.4
69.97594	1.4
77.03970	1.3
83.01386	0.6
86.84235	0.5
87.00875	1.2
93.03461	1.9
105.01941	1.0
109.02962	1.5
121.02955	100.0
122.03246	3.0
123.04482	1.0
124.32349	0.5
137.02458	7.8
148.64911	0.5
149.00946	0.6
150.03154	0.4
164.83609	1.9
165.01923	17.4
165.04039	0.9
165.05501	1.0
166.02713	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	165.0405
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
53.75331	0.7
55.01876	1.2
57.03437	1.3
57.23254	0.6
59.01376	11.3
71.01379	8.3
72.99297	5.0
73.02940	3.0
75.00871	45.4
79.93143	0.8
85.02935	0.8
87.00874	100.0
88.01201	0.8
89.02441	3.9
99.00883	18.5
101.02435	5.3
105.01933	80.2
106.02313	0.8
108.93760	0.8
117.01891	3.4
129.01953	4.1
135.03015	2.4
147.02994	11.4
165.04041	80.1
166.04338	2.1
171.06329	0.7
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	Orthoform
Peak:m/z	Relative Intensity
54.63968	0.6
61.98817	1.4
70.75459	0.9
80.91673	2.2
90.88132	0.5
92.05064	1.0
95.01370	1.0
96.96016	0.7
108.02180	3.5
113.82195	0.5
121.02951	2.1
121.05327	1.9
122.02490	1.4
122.03317	2.0
122.06098	0.8
122.38869	0.6
123.00899	1.0
123.04527	1.3
124.04015	0.7
124.98460	3.5
125.87318	1.1
134.02556	0.7
135.04530	1.1
136.01645	2.3
136.04161	1.0
136.05296	19.4
138.01932	1.2
148.04013	0.9
151.00375	1.3
152.01129	3.5
165.83682	6.1
165.87584	0.7
166.01434	7.8
166.05092	100.0
166.83350	6.3
166.99438	1.1
167.03569	2.6
167.05431	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	166.0509
Annotation	Orthoform
Peak:m/z	Relative Intensity
56.00694	0.3
61.98819	0.6
65.35735	0.2
66.03500	0.3
67.01826	0.3
69.98717	0.6
69.99054	0.4
70.02112	0.2
73.61196	0.3
80.91689	0.6
82.18887	0.2
85.00439	0.3
90.34608	0.3
93.03446	0.7
108.02166	1.1
121.02959	10.4
121.94996	0.3
122.03305	0.8
123.00916	0.4
123.04520	0.6
124.98454	1.5
125.87252	0.3
136.01680	1.0
136.05299	8.9
137.05669	0.3
138.01956	0.3
151.00253	0.8
151.02748	26.8
152.01166	1.6
152.03094	0.8
165.83711	2.2
165.87589	0.6
166.01453	3.3
166.05096	100.0
166.49347	0.3
166.83374	2.3
167.02287	0.2
167.03545	1.3
167.05457	2.4
181.00751	0.3
183.01729	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	167.035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19297	0.4
64.94994	0.4
67.01894	1.1
71.27361	0.5
79.29255	0.4
83.01385	1.7
93.71440	0.4
94.00598	0.4
94.98035	0.5
95.01391	2.2
99.98856	0.4
107.01389	1.3
108.02171	41.1
109.02477	1.0
109.10288	0.4
110.04147	0.4
111.00870	6.6
123.00889	4.6
123.04486	2.2
124.01656	5.1
124.98427	1.0
126.08877	0.4
134.45010	0.4
135.00887	0.8
139.00368	2.1
152.01151	28.0
153.00653	1.2
167.03490	100.0
168.03931	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	167.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89854	0.8
61.16103	0.8
69.03455	48.6
70.03796	1.0
79.01889	37.1
80.02216	0.9
81.03444	2.2
85.45137	0.9
95.01385	3.4
97.02335	1.9
97.02950	30.9
98.21854	2.8
107.01389	61.3
108.02246	4.5
109.31280	0.8
123.00904	4.9
123.04501	1.7
124.98426	1.6
125.02448	48.1
126.02805	1.4
135.00891	100.0
136.01199	3.7
143.74292	0.9
151.00359	1.8
152.01176	5.7
153.00719	1.2
159.32642	0.8
166.99593	0.9
167.03532	9.6
168.02940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
55.01875	1.2
69.03478	0.9
69.81104	2.3
71.05032	3.5
79.01942	0.7
79.33289	0.8
80.02668	2.4
81.03462	14.8
82.03787	0.8
83.01389	2.6
91.01900	1.2
93.03479	1.5
95.01396	3.3
95.05025	5.7
97.02960	8.2
98.22601	0.8
99.04518	14.7
99.05158	0.8
99.16974	0.7
108.02170	51.4
109.02467	1.1
121.02991	0.8
123.00882	5.2
123.04527	23.6
124.01668	5.8
125.02441	2.3
125.03408	0.8
139.04013	9.4
143.81134	0.8
152.01149	100.0
153.01639	1.3
162.82861	0.8
167.03490	41.8
167.25612	0.7
168.02962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
91.01893	1.1
93.03457	0.8
95.01382	2.3
96.04524	1.6
108.02172	10.8
123.00874	2.5
123.04502	6.4
124.01675	1.3
124.98436	6.9
139.00327	0.9
139.03966	0.9
152.01138	20.7
153.00624	3.7
154.64583	0.8
166.83324	4.3
166.99588	0.9
167.03502	12.5
167.10760	100.0
167.87184	1.0
168.03046	1.6
168.11151	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	168.0303
Annotation	2-Furoylglycine
Peak:m/z	Relative Intensity
55.15020	0.2
57.08352	0.2
59.77119	0.2
65.03954	0.3
65.99843	0.8
69.03446	0.3
69.20556	1.0
74.31936	0.2
81.03474	0.4
96.04572	0.5
97.02946	0.4
109.02963	0.6
121.02943	0.7
122.03737	0.3
123.00879	0.5
124.01637	1.0
125.02448	7.2
137.02441	7.8
138.03226	20.4
139.03575	0.6
149.99600	0.3
150.01984	0.4
153.00667	3.0
167.87096	0.6
168.03018	100.0
169.01414	2.9
169.03351	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	168.1393
Annotation	Nitramine
Peak:m/z	Relative Intensity
58.02972	100.0
59.01366	5.0
61.98830	22.1
68.99802	1.6
69.03444	5.4
69.55878	3.5
69.56255	6.3
81.03486	2.9
82.95415	27.0
95.01358	3.1
96.04535	8.4
97.02925	3.9
103.01470	2.4
123.00883	11.8
124.01629	2.7
125.02444	88.0
125.98532	7.8
126.01978	3.0
126.90309	1.9
127.87021	2.3
132.86746	5.9
138.80461	1.6
141.02046	3.7
150.01965	3.0
153.00662	63.1
153.01843	3.5
167.87108	48.8
168.03047	23.3
168.10321	4.5
168.13835	13.1
168.83647	9.7
169.01410	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	169.0139
Annotation	Gallate
Peak:m/z	Relative Intensity
50.36380	0.6
53.68911	0.6
64.95422	0.6
67.01906	0.8
69.03458	4.3
79.01902	2.0
81.03449	4.0
97.02957	3.7
98.22687	1.2
107.01379	1.5
124.01682	1.2
125.02448	100.0
126.02782	2.6
139.92538	0.6
169.01422	36.7
170.01839	1.4
183.44011	0.7
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	Gallic acid
Peak:m/z	Relative Intensity
55.49347	0.3
69.03454	4.4
69.76694	1.0
72.79482	0.3
75.69294	0.3
79.01889	2.2
81.03457	4.0
83.01383	0.5
95.01415	0.4
97.02943	4.3
98.21915	0.6
107.01385	1.0
124.01685	1.3
125.02444	100.0
126.02760	2.4
169.01419	35.0
169.02917	0.6
170.01773	1.3
172.93709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.5
69.03454	4.8
69.96306	1.0
79.01887	2.6
81.03455	4.4
83.01368	0.5
97.02946	3.9
98.21951	0.4
99.34726	0.3
107.01391	1.2
120.81545	0.3
124.01646	1.6
125.02443	100.0
126.02779	3.0
169.01421	32.1
169.02954	0.6
170.01711	1.2
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	Unknow
Peak:m/z	Relative Intensity
69.03452	3.9
69.88985	0.7
69.89326	0.6
71.94973	0.3
79.01894	2.2
81.03451	4.9
83.01388	0.7
92.93243	0.3
97.02937	4.5
107.01376	1.2
107.36244	0.3
112.49263	0.3
124.01665	1.3
125.02445	100.0
125.41579	0.3
126.02774	2.4
140.59814	0.3
169.01418	35.6
170.01738	1.0
171.29793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Gallate
Peak:m/z	Relative Intensity
61.98833	0.5
68.99813	1.5
69.03458	5.0
69.30547	0.3
69.73724	0.5
79.01884	2.0
81.03459	3.6
83.01367	0.5
85.00433	1.8
85.31707	0.3
90.70905	0.3
95.01396	0.9
96.99323	0.5
97.02947	4.2
97.61584	0.3
97.87178	0.3
102.64403	0.3
107.01403	1.4
116.58643	0.3
124.01666	1.5
125.02446	100.0
126.01035	0.4
126.02785	2.7
132.43842	0.3
132.86804	4.2
134.86551	11.6
151.00389	0.6
169.01422	33.8
169.83423	1.3
170.01808	0.8
173.69234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
55.21227	0.4
70.51096	0.5
98.21965	0.5
110.43581	0.5
125.09747	2.5
127.07626	1.5
127.11285	5.6
153.09219	2.1
171.02008	1.6
171.10265	100.0
172.10608	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02971	1.1
70.42124	0.4
70.42456	0.4
74.77106	0.3
89.97555	0.3
93.03474	0.6
97.06609	0.4
100.47221	0.3
128.07965	1.0
128.10803	3.2
130.08737	100.0
131.09077	2.1
135.26833	0.3
172.09789	15.6
173.10095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01848	0.5
55.92747	0.4
57.03445	3.8
67.01894	8.6
67.40483	0.4
71.01370	2.3
72.99303	1.9
73.02943	0.7
83.01388	1.2
85.02951	50.7
86.03275	1.0
93.03472	1.3
99.00887	2.4
101.02451	2.1
111.00880	100.0
111.04517	0.9
112.01224	1.6
112.98779	1.0
129.01949	10.1
131.08272	5.9
142.99899	1.1
154.99878	4.4
173.00917	3.3
173.04495	0.5
173.09274	0.5
193.67941	0.5
193.76950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00303	4.0
55.01872	7.9
57.03436	3.1
59.01386	8.4
64.23813	1.5
67.01881	4.7
68.99814	4.5
71.01379	100.0
72.99323	3.8
73.02946	10.4
80.99824	3.0
83.01380	8.4
85.02953	12.9
85.06568	1.5
87.00882	7.5
93.03532	1.3
94.72578	1.2
96.99298	4.2
99.00877	43.2
111.00877	20.2
112.98805	52.1
115.00369	5.7
123.93626	1.4
124.98795	27.2
128.63878	1.5
129.01915	4.2
131.08267	64.4
142.99861	81.9
144.00172	1.4
173.00911	16.9
173.10440	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	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
55.01884	6.9
57.03441	5.3
57.69524	1.3
59.01370	8.4
66.71542	1.3
67.01889	8.8
68.99829	2.9
71.01379	100.0
71.27270	2.4
72.99306	3.4
73.02933	8.9
75.57951	1.2
79.67760	1.4
81.55791	1.3
83.01381	11.1
85.02943	11.6
87.00866	15.0
92.22694	1.4
93.03451	2.0
96.99316	4.0
98.00264	1.5
99.00874	56.2
101.02426	1.5
111.00875	60.5
111.04521	4.5
112.98808	50.0
115.00345	4.1
124.98803	20.9
129.01939	2.8
129.05515	1.8
131.08258	34.9
142.99852	51.7
144.00154	1.6
154.99857	3.3
173.00893	16.5
173.04510	1.8
173.10463	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	173.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27433	0.3
57.63497	0.3
58.04092	0.3
63.46064	0.3
70.38100	0.5
72.99298	1.4
78.95901	2.1
83.06145	0.3
87.71315	0.2
92.64919	0.2
96.96005	0.6
96.96960	4.2
108.15189	0.3
111.00893	1.8
111.04544	0.3
113.07161	0.3
114.05593	1.3
124.73040	0.3
128.65704	0.2
130.89680	0.2
131.08261	100.0
132.08641	1.2
156.07779	2.7
173.10434	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	173.1044
Annotation	L-Arginine
Peak:m/z	Relative Intensity
53.63845	0.2
58.04089	0.3
70.63271	0.4
71.01390	0.9
85.02937	0.5
85.07710	0.3
99.00892	0.6
111.00875	0.7
112.08834	0.5
112.98807	1.1
113.07195	0.3
114.05621	1.2
116.16235	0.3
124.98813	0.5
131.08261	100.0
132.08618	1.5
142.99889	1.6
156.07793	3.2
173.10434	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	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
51.84787	0.5
56.61959	0.5
56.99813	0.5
57.03444	1.3
59.01376	37.3
67.01865	0.7
67.67621	0.5
71.01377	36.1
72.61349	0.5
72.99294	2.9
73.02947	3.8
83.01389	1.2
85.02950	3.5
87.00873	86.3
87.04523	0.6
101.02417	0.9
109.87206	0.5
112.98817	1.6
113.02495	0.9
113.06083	0.8
115.00368	100.0
116.00673	1.6
127.00397	1.2
129.01878	0.7
131.05055	0.5
132.98169	3.2
157.01421	0.7
174.90089	0.8
174.99222	1.8
175.02477	28.1
175.03799	1.2
192.49664	0.5
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)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.64277	0.9
57.03448	1.5
59.01378	28.9
60.70469	0.8
67.01876	1.0
69.63309	2.7
71.01382	37.0
72.99306	2.9
73.02935	3.3
76.96912	0.8
83.01399	2.1
85.02958	1.3
87.00877	79.7
88.01252	1.0
97.81744	0.8
99.00906	1.2
113.02448	1.2
115.00372	100.0
116.00681	1.7
149.40317	0.9
167.65031	0.9
172.27502	0.8
175.02481	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
54.52161	0.7
57.03427	1.1
59.01377	36.8
63.41899	0.7
63.72081	0.8
66.42532	0.6
67.01892	0.8
69.23164	3.7
71.01379	38.2
72.42539	0.7
72.99305	2.5
73.02935	3.9
83.01393	1.2
85.02943	2.7
87.00873	86.7
88.01227	1.0
95.51453	0.7
99.00868	1.2
99.48855	0.8
101.02449	0.7
102.00281	0.7
110.97282	0.7
112.98808	1.9
115.00372	100.0
116.00687	0.8
132.98250	0.9
145.34793	0.6
150.30865	0.7
153.26816	0.6
175.02478	32.5
176.02792	0.9
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	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
51.19904	0.5
54.07720	0.5
54.63740	0.5
55.54182	0.6
55.84076	0.4
59.01377	10.6
59.35899	0.5
63.63572	0.5
69.53042	1.3
69.53457	1.4
76.31655	0.5
83.05005	1.5
85.06583	24.8
86.06898	0.6
87.00873	100.0
87.04504	6.7
88.01196	1.4
101.02449	1.4
111.04489	1.6
113.06085	29.2
114.06418	0.6
115.04010	7.2
116.48293	0.5
120.62096	0.5
127.76625	0.6
129.05568	5.8
131.07166	2.6
132.98228	0.9
157.05046	3.6
174.82857	0.9
174.99191	0.6
175.06110	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	175.061
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
59.01371	6.1
71.01385	1.9
80.61077	0.8
81.03488	1.0
82.24965	0.8
83.05022	9.1
85.06584	24.6
87.00873	26.4
87.04507	1.4
97.98548	0.8
99.00882	1.1
101.02443	3.7
111.04519	11.3
113.06085	39.0
114.06349	1.2
115.03992	3.4
129.05580	34.0
130.05930	1.1
131.07135	10.3
133.08792	1.3
157.05061	8.5
175.06117	100.0
176.06436	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	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
55.38778	0.4
59.01378	12.6
63.22160	0.5
69.41681	0.5
69.83606	0.6
69.83965	1.2
71.05015	1.2
73.02927	1.2
74.17162	0.6
85.06587	43.1
87.04519	1.0
113.06087	40.5
114.06470	0.7
115.04012	100.0
116.04373	1.7
127.06373	0.5
129.05562	1.3
131.07149	9.1
132.98242	2.7
157.05084	11.6
174.82849	0.5
174.99257	1.6
175.06111	61.0
176.06464	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	177.0192
Annotation	Daphnetin
Peak:m/z	Relative Intensity
51.26295	0.4
59.01368	0.5
63.02404	1.0
65.03943	0.4
69.57527	1.9
77.03952	2.3
79.01875	1.0
81.77504	0.5
89.03975	3.7
91.01894	1.4
93.03448	3.2
95.05026	1.7
105.03461	5.0
107.01368	0.7
121.02946	12.6
122.03322	0.6
123.04564	2.4
127.07626	0.6
132.02170	3.8
133.02956	30.7
134.03252	0.6
148.01671	9.2
149.02446	23.2
150.02747	0.6
176.01149	1.4
177.01926	100.0
178.02238	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	177.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	25.7
65.95763	5.7
66.03293	6.6
69.65619	24.7
69.65960	6.4
71.01374	13.6
75.00855	8.6
75.71490	5.7
80.68578	5.8
92.65191	6.3
99.00842	12.9
99.92582	28.6
116.92857	21.2
124.00694	6.2
129.01926	13.0
133.02928	9.7
133.06552	6.5
134.03723	6.9
141.86800	21.9
141.93629	32.2
143.72977	7.5
162.03220	40.7
175.36511	6.5
176.81680	10.0
176.83701	13.7
176.85858	22.3
176.89740	47.7
177.01906	42.9
177.04077	7.6
177.05446	8.1
177.16486	100.0
177.84422	5.5
177.86069	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95229	0.3
59.01376	1.6
63.98480	0.3
68.19038	0.3
71.01392	1.4
71.44729	0.4
73.02942	0.7
78.95909	2.2
79.95737	0.9
81.65779	0.3
85.02947	0.8
87.00874	3.9
89.02438	0.4
96.96010	100.0
96.96998	2.9
97.95930	0.3
98.95579	0.3
99.00877	1.1
101.02428	0.4
106.64285	0.3
113.02453	0.4
117.01924	0.6
119.93746	1.3
125.02445	0.8
134.96088	12.3
135.96193	0.5
136.94009	59.5
137.94061	2.6
141.01907	0.3
151.92714	5.2
159.02911	0.4
161.04572	2.6
178.95052	38.3
179.03381	0.5
179.04146	0.4
179.05640	3.2
179.07109	0.5
179.95117	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Aspirin
Peak:m/z	Relative Intensity
54.75898	0.8
59.01381	14.0
64.17655	0.8
71.01377	9.5
71.44063	1.0
73.02941	1.2
85.02946	2.0
87.00867	10.1
89.02425	4.7
91.05531	44.7
96.96008	1.3
97.02982	1.1
99.00886	3.4
101.02428	1.4
113.02455	1.4
116.20205	0.8
117.01952	1.4
125.02437	2.3
126.92504	0.8
129.03474	0.9
135.04523	100.0
136.04852	2.0
141.02011	0.9
151.07709	1.4
161.04536	7.6
164.01065	1.1
168.60301	0.9
178.99892	1.6
179.03508	10.1
179.05611	8.4
179.07047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
57.03450	1.2
58.00588	1.5
59.01378	100.0
60.01702	1.2
67.58428	0.8
69.38150	0.9
70.60480	1.4
71.01379	63.2
71.05023	1.4
72.90837	0.7
72.99301	3.9
73.02503	0.6
73.02930	3.0
75.00867	22.7
75.57591	0.7
78.65249	0.9
81.03448	1.8
83.01388	1.6
85.02943	12.6
87.00884	5.7
89.02443	35.9
89.27206	0.7
92.40424	0.8
95.01386	2.4
97.02930	2.2
99.00868	3.4
101.02436	7.1
113.02441	5.6
119.03527	1.8
125.02426	0.9
128.03500	0.9
131.03513	3.9
134.47006	0.9
141.40700	0.8
143.03488	2.4
161.04567	9.7
179.05611	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0711
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
52.17522	0.4
52.61789	0.4
59.01381	7.8
63.02396	0.6
69.03468	0.6
69.40889	0.9
69.41273	0.9
71.01382	5.3
73.02939	0.8
73.99837	0.4
80.52653	0.4
80.66452	0.4
85.02960	1.7
87.00874	5.7
87.20193	0.4
87.25786	0.5
89.02424	2.3
96.96015	1.5
97.02953	0.6
98.22621	1.0
99.00877	1.4
101.02459	1.3
105.24749	0.4
113.02499	0.9
117.01960	1.1
118.99253	0.6
119.05038	5.1
121.02980	1.4
125.02419	0.6
133.06560	1.0
135.08159	100.0
136.08482	2.4
136.94048	0.5
141.01859	0.8
143.38066	0.4
144.18700	0.4
151.00313	0.8
161.04561	4.0
164.01167	0.6
178.99840	1.1
179.03633	1.5
179.05624	5.9
179.07112	65.5
179.57086	0.5
180.07446	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	179.1077
Annotation	Dihydroactinidiolide
Peak:m/z	Relative Intensity
50.91883	1.9
55.12016	2.0
56.61940	2.0
59.01365	3.1
67.05527	33.1
69.19320	6.9
69.19724	6.9
71.01373	2.5
87.00877	4.7
124.05299	32.8
133.10236	5.4
135.11809	14.5
140.91545	2.4
160.15927	2.0
161.09792	3.8
179.05670	3.9
179.10776	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	180.0666
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.91349	0.9
68.30155	0.8
70.83073	1.0
71.68942	0.8
72.00907	32.6
74.02476	4.4
93.03452	25.9
106.04211	4.3
107.04992	1.9
108.78140	0.9
119.05026	70.1
120.05326	1.6
134.06105	2.3
136.07675	2.3
162.05605	1.9
163.03998	82.8
164.04353	2.1
180.06654	100.0
181.06976	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
59.01398	0.9
65.16676	0.2
67.01903	0.4
67.35184	0.3
69.33933	0.6
69.34324	1.0
71.01389	0.6
79.01904	0.3
81.03456	1.3
89.02449	0.3
93.03497	0.4
95.01404	0.5
101.02473	0.6
107.01389	3.7
109.02985	0.3
122.03745	0.7
122.46597	0.3
123.00886	9.8
125.02473	1.6
137.02403	0.4
151.00369	62.5
152.00708	1.4
165.01959	1.0
166.02707	100.0
166.99834	0.3
167.03056	2.4
171.39523	0.3
181.05054	18.4
182.05420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
52.31123	2.5
59.01371	5.9
61.28689	2.4
69.34724	5.8
69.35114	5.1
71.01405	2.5
71.19588	2.3
73.02934	7.6
101.02454	4.1
127.01093	2.5
151.00360	8.3
161.13451	2.4
166.02684	12.4
181.01425	3.2
181.05067	4.2
181.07201	5.1
181.10753	5.4
181.12338	100.0
198.27911	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	3,5-Dihydroxy-phenylglycine
Peak:m/z	Relative Intensity
61.98817	1.3
63.41455	0.4
65.99837	0.5
70.94775	0.6
73.25379	0.3
76.52990	0.3
78.75786	0.4
79.05525	0.4
81.84361	0.4
85.36725	0.4
90.81646	0.4
91.96245	0.4
96.96008	3.6
109.02961	2.5
110.02448	0.4
112.98556	0.5
120.66220	0.4
123.00901	0.5
124.01668	0.6
137.02444	11.0
138.01970	0.8
143.86542	1.1
151.04015	2.6
152.03589	0.3
152.04787	11.4
167.02196	7.4
181.92931	7.5
182.04572	100.0
183.04941	2.2
199.01157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
67.01864	0.4
68.28836	0.4
70.29704	0.4
71.01374	0.5
71.06764	0.7
73.87864	0.3
90.73433	0.3
95.01396	0.8
111.00884	2.9
120.93909	0.3
123.00896	2.9
124.01661	55.9
125.02008	1.0
127.00415	0.9
132.88614	0.3
136.98824	0.5
138.42830	0.4
139.00378	5.4
139.04018	5.4
139.07658	1.2
140.01163	2.5
168.00636	100.0
169.00978	1.6
183.02985	8.5
183.04637	0.3
203.70509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.76644	0.4
69.77350	0.9
69.77726	0.9
71.01385	0.7
74.33529	0.4
76.22147	0.5
78.01107	1.4
82.00603	1.5
83.01376	0.9
86.00098	1.1
103.25117	0.6
110.00072	0.7
110.67946	0.4
111.00870	3.4
117.53955	0.4
121.14861	0.4
123.00877	0.9
124.01659	49.9
125.01999	0.8
127.00354	1.8
132.28972	0.4
136.98810	2.6
139.00389	3.7
140.01170	5.8
151.00407	0.6
152.18236	0.4
168.00630	13.3
178.15143	0.4
183.02977	100.0
184.03313	1.9
185.27390	0.4
190.47736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	trans-1,2,trans-1,5-2-(1-Formylethyl)-5-methyl-cyclopentanecarboxylic acidNepetalic acid
Peak:m/z	Relative Intensity
53.40850	1.0
55.01854	3.0
57.03448	29.3
59.01381	2.8
60.53428	1.3
63.55983	1.1
71.01373	2.1
83.05036	7.3
85.02988	1.1
95.05035	1.9
98.21885	3.8
109.06582	4.1
111.00887	3.0
123.00889	1.4
123.04516	1.2
124.01668	5.5
137.09702	5.3
139.00380	2.7
139.07635	3.4
139.11282	26.6
155.10786	14.6
165.09218	8.9
167.99359	1.9
168.00636	4.9
183.00533	1.4
183.03027	12.5
183.06830	2.3
183.10258	100.0
184.10623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.01
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10217	4.9
55.94401	4.9
56.11607	4.7
58.37059	4.6
59.01370	15.5
61.84132	5.2
67.02696	4.5
69.06110	4.4
69.34309	26.1
98.21885	9.6
99.92647	5.2
109.79137	4.5
125.87259	7.2
140.02048	38.6
140.89679	21.1
184.01010	100.0
184.88678	6.1
185.01218	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	185.0818
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
57.03465	1.3
59.01376	3.3
69.03438	1.4
69.34735	2.6
69.35147	1.5
69.73482	0.7
70.29301	0.7
80.02666	1.7
81.03472	1.1
81.07091	4.6
95.05034	9.5
121.06576	3.8
123.08166	100.0
124.08517	1.8
134.77463	0.9
134.78642	0.8
141.02060	0.7
141.09221	53.4
142.09529	0.8
185.08189	91.5
186.08470	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	185.1547
Annotation	Undecanoic acid
Peak:m/z	Relative Intensity
51.62841	0.8
56.85934	0.7
59.01381	7.8
61.98798	2.0
69.03449	0.8
84.99335	0.8
86.53535	0.8
103.01488	3.6
112.98820	1.2
119.91429	0.7
123.00880	1.6
125.87376	1.7
139.87288	1.7
140.89687	6.2
140.93965	0.9
141.09213	0.8
155.34082	0.8
157.29814	0.8
157.88301	0.7
167.14410	1.1
176.85277	0.8
184.85973	1.6
184.88666	1.5
185.01125	1.7
185.11897	2.5
185.15465	100.0
186.15828	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	186.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	3.3
59.01388	1.4
65.39233	0.3
68.05051	5.1
69.20909	0.4
69.21326	1.1
98.21885	0.7
114.09242	100.0
115.09595	1.6
144.10295	35.2
145.10689	0.6
155.95796	0.3
186.11327	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0247
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
52.25595	0.5
58.00589	1.0
59.01376	7.7
67.01888	11.5
68.99806	0.5
71.01367	0.7
71.05017	0.5
71.43382	0.6
73.02944	15.4
78.17921	0.5
78.85370	0.5
81.03453	1.4
83.01395	1.6
85.02962	0.8
90.97132	2.0
97.06585	2.9
97.59483	0.5
99.04520	6.8
99.08138	0.6
111.00880	100.0
111.08241	0.5
112.01243	1.6
112.32520	0.6
112.46947	0.6
115.04005	1.4
125.02462	1.0
125.06083	2.3
125.09708	1.3
127.04064	0.5
127.87083	0.7
130.08772	0.9
131.08258	4.7
132.98189	2.6
141.86852	1.4
142.89360	0.8
143.03496	15.3
143.07133	5.7
154.99863	0.6
159.01494	5.2
159.87883	0.5
168.97665	0.5
186.95587	1.4
187.06120	2.1
187.09740	1.6
198.70453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.57993	1.5
55.01859	1.4
59.01384	10.8
66.48643	1.3
67.01884	17.8
68.99880	1.5
71.01360	4.1
71.05006	5.4
71.42908	1.6
72.99311	2.3
73.02949	9.5
81.03438	6.3
83.01379	2.7
83.05011	2.4
85.02929	2.0
88.98801	4.3
89.02427	1.9
95.05016	1.9
97.02962	1.8
97.06587	16.2
97.30334	1.7
98.02455	3.5
99.00861	8.9
99.04518	60.1
99.08157	3.9
102.05606	2.1
102.59035	1.5
111.00882	89.3
112.98772	1.9
113.02441	2.7
115.04002	12.4
115.07629	5.2
116.03513	6.4
116.07167	2.3
123.80938	1.4
125.02447	100.0
125.06081	17.6
126.02783	2.0
127.00375	3.6
131.08231	9.6
134.74141	1.5
141.97151	1.8
143.03494	22.2
143.04587	2.8
143.07138	30.5
144.02972	4.6
157.01376	1.4
159.01489	10.9
169.05011	2.0
177.50110	1.4
187.00975	2.1
187.02475	21.2
187.03885	2.2
187.04216	1.8
187.06117	26.7
187.07877	2.6
187.09581	2.3
188.05550	2.1
188.09349	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	187.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.7
58.77543	0.5
59.01383	3.2
60.99295	1.3
67.01885	1.2
68.99802	0.7
69.78587	1.6
71.01398	0.8
71.05010	1.3
72.00898	0.9
72.99293	0.9
81.03452	4.9
82.02972	0.6
87.00880	0.7
88.98806	5.6
91.90466	0.5
97.06599	1.5
98.02480	3.5
99.00871	2.1
99.04515	40.8
100.04028	1.1
102.05618	1.4
111.00874	1.2
113.02431	1.4
115.04002	10.1
116.03526	7.7
125.02442	100.0
125.06052	1.3
126.02760	1.1
127.00374	0.7
128.03549	1.4
131.08240	3.1
134.67142	0.6
143.03534	10.7
143.04662	1.8
143.07164	2.1
144.03017	6.5
144.06670	0.7
157.01421	0.8
159.01451	2.6
159.02837	0.6
170.04451	0.8
171.19196	0.7
173.73314	0.6
187.02420	17.9
187.06111	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	187.0611
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
54.40301	1.3
59.01378	17.0
67.01553	1.3
69.03458	3.6
69.24597	7.2
71.05009	2.4
83.05033	2.2
95.05020	10.6
97.06586	58.4
99.00883	10.4
99.08144	12.9
113.37395	1.2
115.04028	1.7
115.07655	14.1
115.94559	1.4
125.02435	1.8
125.06083	54.5
125.09654	2.5
127.00446	1.8
132.98222	1.4
133.17508	1.7
141.86769	3.0
143.07137	100.0
159.01517	3.7
163.23244	1.5
169.05064	10.2
186.85583	2.7
187.06111	76.8
187.09679	2.7
200.04059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03444	2.9
57.41758	0.6
69.03445	0.6
69.31429	2.1
78.74289	0.5
95.05019	0.9
97.06575	12.1
107.34146	0.5
123.08167	5.2
125.09716	100.0
126.10101	2.7
134.67036	0.7
143.10767	1.6
152.50514	0.6
169.08691	2.1
187.09744	48.5
188.10120	1.1
192.42148	0.6
206.48682	0.5
209.32639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.49094	0.2
53.25306	0.2
59.01360	0.2
65.99834	0.2
71.26180	0.3
81.88088	0.2
102.03499	0.6
103.90528	0.2
117.23582	0.2
127.45840	0.2
144.04550	100.0
145.04895	2.5
159.03238	0.3
188.03528	3.8
189.07645	0.7
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	2-hydroxyoctanedioic Acid
Peak:m/z	Relative Intensity
59.01376	1.7
62.78553	0.6
68.94646	0.5
69.46312	2.3
73.01351	0.6
73.07986	0.5
77.78430	0.7
95.05039	1.4
95.31919	0.6
96.97492	0.6
97.06586	8.4
99.08163	5.5
103.43642	0.5
105.24628	0.6
109.06590	5.1
125.06082	6.8
127.07649	40.6
128.08029	1.0
133.03000	0.5
143.07133	41.6
144.07500	1.1
145.08743	1.1
171.06653	2.5
189.07678	100.0
190.08052	2.6
197.75557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0768
Annotation	2-hydroxyoctanedioic Acid
Peak:m/z	Relative Intensity
55.38107	0.4
58.95256	0.4
59.01380	3.2
61.32947	0.4
69.03448	0.6
72.99303	0.6
73.02947	0.9
85.06604	0.6
95.05007	1.2
97.06585	7.8
98.03914	0.4
98.22637	1.3
99.08148	5.1
105.51725	0.4
109.06591	4.2
111.96589	0.4
125.06079	6.4
127.07646	40.8
128.08003	0.7
129.05574	0.8
141.82249	0.4
143.07132	37.7
145.08719	1.1
153.05478	0.5
171.06619	2.6
174.37807	0.4
189.07675	100.0
190.08046	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	189.0768
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
54.99511	0.3
57.03443	2.1
59.01375	2.9
60.96586	0.3
61.98820	1.6
65.10244	0.3
66.02171	0.3
73.02927	0.5
83.05034	0.7
85.02973	0.4
85.06580	0.3
93.57407	0.3
94.66114	0.2
99.08154	23.5
100.08487	0.4
101.06078	0.3
103.06514	0.3
103.25205	0.3
113.52126	0.4
120.04561	0.4
126.43697	0.3
127.00458	0.5
127.07648	28.1
128.07970	0.8
129.05579	100.0
129.58897	0.3
130.05946	1.7
141.20203	0.3
142.86801	0.6
143.07114	0.3
143.86542	1.9
145.08691	4.6
146.02499	0.3
160.97688	0.5
161.87570	0.9
171.06627	5.7
189.03070	0.9
189.07680	45.8
190.08014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
52.37031	0.3
52.71759	0.2
57.03449	2.1
59.01382	3.0
60.06912	0.2
60.72900	0.2
61.98849	0.2
62.92739	0.3
63.91360	0.2
69.11276	1.6
73.02962	0.2
83.05031	1.0
85.06583	0.5
96.35328	0.2
99.08156	23.3
101.06060	0.5
127.07652	26.5
128.08006	0.6
129.05579	100.0
130.05917	1.9
143.07166	0.3
143.86545	0.6
145.08717	3.8
160.97705	0.4
171.06641	5.2
189.07681	44.2
190.08008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.092
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
54.02205	1.7
59.01379	4.5
61.98833	20.3
69.21649	6.5
71.01341	1.9
73.02969	2.0
82.95403	4.1
84.08718	1.5
100.92601	1.6
108.02200	1.9
115.05553	2.7
117.03461	2.5
124.94050	1.6
142.86862	7.8
143.86522	39.7
144.89026	2.6
145.02946	4.5
146.02541	2.1
146.03708	3.8
146.07373	7.1
159.04524	7.4
160.87927	3.7
160.97668	4.1
161.87578	13.9
164.03520	1.9
167.47198	1.6
173.06068	17.7
174.06856	90.0
175.07162	3.1
189.03165	4.4
189.09218	100.0
190.09497	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	191.0196
Annotation	Citric acid
Peak:m/z	Relative Intensity
50.45897	0.7
51.59607	0.6
57.03436	5.7
59.01373	0.8
63.18206	0.8
67.01877	3.1
70.38062	1.0
70.38405	1.6
76.92668	0.8
85.02949	28.4
87.00874	46.0
89.30723	0.8
111.00875	100.0
112.01202	1.7
129.01927	6.5
173.00880	2.0
187.41167	0.9
191.01997	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60060	0.5
51.70470	0.5
57.03445	4.0
59.01374	0.9
67.01575	0.6
67.01887	4.2
69.72470	1.9
70.59702	0.5
74.50531	0.6
85.02946	27.6
87.00871	45.8
88.01208	0.7
111.00876	100.0
112.01208	1.5
129.01941	5.5
130.99940	0.8
149.69946	0.6
153.53961	0.6
165.82170	0.6
173.00882	2.4
191.01945	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.9
59.01375	2.7
63.92619	0.9
67.01882	3.3
69.77299	2.7
73.95291	0.9
85.02450	1.8
85.02950	26.3
87.00872	48.6
89.37859	0.8
99.52773	0.8
111.00874	100.0
112.01168	1.0
125.02281	1.0
129.01952	7.5
130.41573	0.8
130.99846	1.7
147.02930	0.9
173.00923	2.0
179.04736	1.0
179.44307	0.9
191.01976	12.5
191.05605	2.2
208.52502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
67.58321	0.4
69.58588	1.6
69.58927	0.5
80.18639	0.4
85.02928	0.6
87.00880	0.9
90.86989	0.4
91.01908	1.8
91.05531	4.9
103.05536	35.0
107.05012	1.3
111.00879	2.0
119.05001	2.6
132.02165	1.4
135.04536	5.5
137.06065	2.3
146.03761	1.0
147.04524	31.3
148.01677	1.0
162.03244	8.5
163.04012	11.0
176.01192	0.8
182.80574	0.5
190.02762	1.6
191.03502	100.0
192.03812	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	191.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
56.82980	0.4
57.03447	4.2
59.01379	3.1
67.01887	1.6
69.16456	1.2
69.16855	1.4
73.02940	0.8
81.36014	0.5
84.43043	0.5
85.02945	19.3
87.00874	28.8
91.01900	1.4
91.05537	4.4
95.55630	0.5
98.22624	0.8
101.02438	0.6
102.04758	0.5
103.05539	25.1
104.02655	0.6
104.05865	0.5
107.05077	0.7
111.00880	65.2
112.01193	0.9
118.99299	1.2
119.05032	2.6
121.03003	0.5
122.48731	0.5
129.01965	3.6
131.03499	0.5
132.02179	1.0
135.04521	5.2
137.06090	1.8
146.03775	0.6
147.04520	26.0
148.01622	1.2
151.95837	0.5
162.03224	7.5
163.03992	9.5
173.00874	1.3
176.01146	3.9
190.02710	1.5
191.01979	8.5
191.03491	100.0
192.03835	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03434	1.5
59.01360	0.9
60.24299	0.2
67.01888	0.8
69.33073	0.5
69.33470	0.9
69.84429	0.3
73.02965	0.4
79.95893	0.2
85.02947	7.7
86.03252	0.2
87.00871	10.9
93.03448	0.3
98.21870	0.6
111.00880	25.3
118.99325	0.7
119.05029	1.0
121.02954	100.0
122.03259	1.6
129.01950	1.9
147.04524	6.3
147.05618	0.5
163.04042	0.3
173.00896	1.0
190.97810	0.4
191.01939	2.6
191.03528	7.3
191.05598	2.2
191.10620	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	191.1076
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.51688	0.4
55.94860	0.5
57.03471	0.7
59.01373	2.0
61.98820	1.8
66.92279	0.5
69.26846	1.0
69.27248	1.8
70.46701	0.5
80.76701	0.5
82.95396	0.6
85.02953	3.3
87.00864	4.3
101.83237	0.4
103.78033	0.5
111.00877	7.6
111.06631	0.5
118.99313	1.6
119.05019	9.0
121.02939	0.9
127.71540	0.4
144.86555	1.9
145.86287	1.5
147.00917	0.6
147.04506	1.2
148.08937	29.3
161.06062	1.4
162.06854	1.6
176.08414	89.5
177.08771	2.1
190.97792	0.7
191.02008	1.3
191.03531	1.5
191.05602	5.7
191.10767	100.0
192.11143	2.5
192.12666	0.5
193.40073	0.5
195.19948	0.5
205.44815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0063
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38343	0.3
65.00307	0.3
69.05528	2.0
69.05930	0.7
71.55209	0.3
74.93972	0.4
77.61044	0.3
108.02169	7.5
111.00887	0.4
112.01209	0.5
120.02233	0.5
122.00104	0.5
124.07357	0.4
136.01660	11.2
137.02429	0.6
148.01633	0.6
149.02412	0.4
149.99586	1.4
151.00313	0.4
163.00369	5.3
164.01151	34.5
165.01653	0.8
178.99860	12.8
192.00644	100.0
193.01218	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	192.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64750	0.3
51.59788	0.3
62.03616	0.3
63.25008	0.3
71.06478	0.4
85.02967	0.3
87.00883	0.8
88.01246	0.6
95.01382	0.4
108.02171	7.0
111.00868	0.8
112.01205	1.5
115.75442	0.3
123.00877	0.6
135.22646	0.3
136.01666	10.0
137.02513	0.5
148.01575	0.6
149.99596	1.1
152.01149	0.3
161.04523	0.6
163.00369	4.2
164.01147	31.8
165.01617	0.6
177.99127	0.5
178.02600	0.4
178.99849	13.7
180.00307	0.4
192.00639	100.0
193.01222	4.8
193.07153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
50.16193	0.3
59.01376	0.6
69.12753	1.5
71.01379	0.6
71.82040	0.2
73.02946	0.6
75.98172	0.2
83.01359	0.3
85.02950	0.5
87.00890	0.5
93.03469	0.6
98.22677	0.4
99.00883	0.5
101.02454	0.7
106.04234	1.7
108.02159	0.3
109.02942	0.2
111.00881	0.7
121.02949	2.1
133.02948	4.7
134.03743	100.0
135.04074	2.1
137.02443	10.2
139.04013	2.8
148.45779	0.3
148.67754	0.3
148.86584	0.3
149.02444	0.7
149.06079	21.0
150.03261	1.4
150.06413	0.5
150.86574	0.2
150.94859	0.3
157.49306	0.3
161.04564	1.5
165.01958	0.4
176.69873	0.2
177.85588	0.2
178.02713	58.9
179.03023	1.8
193.01357	1.0
193.05057	30.3
193.06920	1.0
193.08743	0.6
194.05409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0868
Annotation	F 11334A3
Peak:m/z	Relative Intensity
57.03472	0.5
59.01367	1.6
62.16849	0.4
64.70203	0.3
65.03959	6.0
66.45922	0.4
67.01891	0.4
69.03455	0.9
69.39787	2.0
71.01373	1.6
71.89602	0.3
73.02939	2.2
81.03448	0.9
83.01373	0.9
85.02940	3.2
87.00888	1.8
93.03449	0.6
95.01376	1.1
97.02976	0.9
99.00874	1.7
101.02436	2.4
106.04251	2.0
107.05022	5.1
108.02174	5.2
109.02956	3.8
111.00859	0.8
117.19064	0.4
120.02158	1.3
120.05818	0.6
121.02957	19.4
121.06625	0.4
122.03773	0.8
123.57860	0.4
125.02425	0.5
125.09731	0.5
134.03738	1.3
136.05305	0.5
137.02477	0.6
141.01923	0.7
149.02509	0.6
149.06087	0.6
149.09706	3.0
150.03204	1.1
150.94801	1.5
151.07646	10.4
161.04567	4.9
164.04848	0.4
177.92970	0.4
178.02692	5.3
192.95786	1.0
193.05031	4.2
193.07361	3.7
193.08687	100.0
194.09024	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	193.1231
Annotation	4-Hexyloxyphenol
Peak:m/z	Relative Intensity
55.51342	0.6
58.20390	0.6
59.01377	2.3
61.17967	0.5
69.03471	0.7
70.13488	0.7
70.13819	1.3
71.01376	2.2
73.02951	2.3
74.85812	0.5
81.32446	0.6
85.02953	2.2
87.00873	2.2
87.44013	0.6
91.00956	0.5
93.03456	0.6
97.02953	1.2
99.00876	2.1
101.02442	3.2
108.02168	0.9
121.02959	3.7
122.03738	82.6
123.04101	1.3
123.23227	0.5
125.02458	1.1
129.23830	0.6
134.03743	1.8
135.04515	7.5
136.05304	5.1
137.02409	1.0
146.19238	0.6
149.02454	0.7
149.06067	4.2
150.94806	5.2
154.02679	0.9
161.04550	6.2
163.07658	1.4
165.01805	0.8
173.63600	0.6
178.02708	7.0
178.09988	44.8
179.10295	1.2
192.95837	2.6
193.01399	1.4
193.05069	2.9
193.07190	4.1
193.12325	100.0
194.12717	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	194.0458
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
57.76294	0.3
61.80231	0.3
69.30691	1.2
98.22607	0.5
104.05077	0.3
106.06627	100.0
107.06330	0.4
107.06944	1.9
130.51382	0.3
150.05609	33.1
151.05922	0.8
161.97546	0.2
194.04596	5.9
195.04999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
56.36519	1.4
57.03448	6.3
59.01070	1.9
59.01377	38.4
63.11679	1.1
70.59502	2.8
71.01380	14.8
72.99300	5.5
73.02960	1.3
73.84903	1.1
75.00872	99.2
78.95907	4.2
83.01385	1.4
85.02934	9.9
87.00877	36.5
89.02444	13.1
96.96976	9.7
99.00874	21.0
101.02439	2.7
105.01256	2.7
105.01937	41.4
109.52771	1.3
111.00872	5.3
129.01949	49.1
138.47643	1.4
141.01939	3.0
141.25240	1.4
145.51477	1.2
147.03000	17.3
153.75548	1.2
159.03003	10.7
165.04123	1.8
177.04041	19.7
195.05096	100.0
196.05389	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	195.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.5
59.01375	29.4
71.01386	16.0
71.42899	1.7
72.99300	5.1
73.02932	2.0
75.00871	100.0
78.95902	11.7
83.01369	2.3
85.02917	10.2
86.57289	1.5
87.00397	2.6
87.00874	31.1
89.02444	10.2
92.05074	1.5
96.96963	21.6
97.02991	1.6
99.00880	19.8
101.02436	4.7
105.01255	2.6
105.01936	34.9
108.02142	1.6
110.12833	1.4
111.00873	5.2
129.01939	46.8
136.01611	1.9
141.01979	2.7
147.02994	15.4
151.03955	2.1
155.54294	1.5
159.02995	10.9
163.05048	5.2
177.04051	19.8
195.03232	3.3
195.05086	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
58.88945	0.2
59.01363	0.3
61.98812	0.5
69.72498	0.4
96.09658	0.2
96.95991	0.7
99.08173	0.4
99.83533	0.2
107.05009	0.2
109.06593	3.4
111.08159	2.8
122.03749	0.5
123.00890	0.3
125.09718	0.6
135.11794	0.3
138.06865	2.3
139.07565	0.2
148.89659	0.2
150.03224	0.2
151.11253	0.4
152.91762	1.2
152.94485	0.5
160.84200	1.3
165.05551	0.3
166.90794	1.8
167.14407	6.4
167.90443	0.4
176.89534	0.4
179.10757	4.2
180.04175	0.2
180.11545	0.2
188.61760	0.2
194.90466	0.4
194.92854	0.5
194.95505	0.2
195.13884	100.0
195.81134	0.4
196.14235	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	195.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86321	0.6
60.65718	0.5
61.98832	0.8
61.99977	0.5
67.01884	0.6
67.22421	0.5
69.03452	1.2
70.42120	1.2
71.92552	0.5
80.02676	6.8
81.03462	2.5
83.05033	4.5
95.01385	0.5
95.04999	0.6
96.95992	2.0
123.00893	0.8
150.03207	1.5
151.16899	0.5
152.91722	2.4
160.84213	14.5
166.90781	1.7
167.90485	1.0
193.15976	13.0
194.90500	0.7
194.92780	1.4
194.95593	0.8
195.06644	0.9
195.13824	2.0
195.17526	100.0
195.81049	5.7
196.17838	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	197.0204
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00327	1.2
56.18943	0.6
60.79618	0.7
61.98805	0.8
64.00655	0.9
65.99847	3.4
67.01879	1.1
68.01415	1.0
75.72818	0.7
76.01923	1.5
78.03492	2.7
80.96524	1.0
92.01432	1.5
94.02964	1.2
95.01389	1.7
104.01463	3.4
105.02248	0.7
106.02968	1.1
107.06121	0.7
108.02139	1.0
109.01720	1.1
109.02948	3.3
120.00924	2.3
121.02951	1.1
122.02510	2.0
123.00089	0.7
123.00888	3.6
123.03247	1.2
125.93595	1.5
126.90498	2.8
133.01698	2.6
136.00331	0.8
137.01239	1.7
137.02431	2.5
138.01965	2.1
138.03143	1.0
150.01984	7.1
151.02701	1.5
152.95988	1.6
153.01976	0.9
162.83885	0.9
163.01527	1.0
166.99858	1.8
167.02249	2.1
167.99315	3.3
168.90456	1.6
179.00999	2.6
180.01773	4.7
182.02171	3.1
183.01735	4.2
197.02036	100.0
197.11848	2.5
198.02345	1.8
198.04077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0453
Annotation	Syringic acid
Peak:m/z	Relative Intensity
60.82689	0.5
62.31197	0.5
67.01892	1.2
71.36600	0.6
71.45286	0.5
77.61947	0.5
83.01387	0.7
95.01392	12.9
97.02977	0.7
101.83226	0.5
105.48656	0.6
109.02984	1.2
111.00910	0.8
121.02950	5.6
123.00882	56.7
124.01189	0.8
125.02393	0.9
125.93578	0.9
126.90509	0.9
138.03221	16.4
153.01933	1.8
153.04439	0.9
153.05577	8.7
154.91138	0.6
166.99858	45.2
167.99332	2.9
181.01422	1.0
182.02206	100.0
183.01764	2.5
197.04541	25.1
197.06052	1.2
198.04137	1.0
207.02773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0454
Annotation	Syringic acid
Peak:m/z	Relative Intensity
50.91008	0.5
52.66279	0.5
53.82098	0.4
54.53557	0.5
57.77351	0.5
58.60121	0.6
65.00353	0.6
67.01918	0.7
68.20586	0.6
78.01139	1.6
81.03493	0.8
83.01430	0.8
89.00388	2.1
91.01928	1.0
95.01387	14.3
95.78719	0.5
106.00621	1.2
109.02942	0.8
109.06606	0.8
111.00890	0.5
121.02953	20.9
122.03273	0.7
123.00882	64.7
124.01252	0.7
125.02474	1.1
126.90538	0.8
127.00438	0.7
135.08202	0.8
137.02457	1.0
138.03224	18.1
153.01923	1.5
153.05573	19.3
153.09213	1.1
166.99852	45.0
167.99391	2.1
178.99828	0.9
181.01422	1.1
182.02202	100.0
183.01678	1.8
184.66911	0.5
197.04530	30.2
197.11725	0.8
198.04681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22823	1.0
55.01874	1.8
59.01376	2.8
60.19568	1.1
67.01883	3.9
68.99821	2.5
69.03465	1.6
69.39223	4.2
80.29633	1.1
83.01383	6.8
93.03432	2.8
95.01373	17.0
95.05016	1.1
97.02934	2.0
97.06571	1.2
99.00867	5.6
107.05037	1.7
109.06590	6.9
111.00887	5.4
111.04578	1.2
112.98793	2.6
123.00883	96.2
125.02454	6.9
125.99593	1.4
126.90463	2.7
127.00380	9.5
128.03635	1.1
135.08138	3.5
136.98811	6.3
137.02489	3.2
138.03218	37.7
139.00348	7.6
141.01947	4.2
151.07657	1.3
153.01926	9.1
153.05574	62.7
153.09152	1.9
154.02711	3.9
154.99840	1.7
166.99860	36.8
167.99353	5.0
168.12080	1.2
179.07117	3.4
181.73666	1.2
182.02208	100.0
183.01622	6.3
194.46971	1.2
197.00850	1.6
197.04544	33.9
197.08197	5.0
197.11815	2.0
210.86932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
59.01377	34.6
64.44020	0.8
65.03949	1.8
67.01881	2.0
69.03433	0.8
71.01386	0.8
76.34537	0.8
79.01918	2.0
80.02706	1.4
81.03447	5.4
91.05534	2.5
91.26810	0.9
93.03452	24.1
93.04015	1.6
95.01366	1.0
97.02919	1.2
97.06581	0.8
98.00048	1.2
99.00878	46.2
106.43667	0.9
107.05026	12.5
109.02926	2.3
109.06587	100.0
110.03751	1.2
110.06921	1.3
111.00866	2.3
121.02949	1.7
123.00880	6.1
123.04498	2.1
124.01637	2.7
125.02441	38.0
125.06047	4.2
126.90495	1.4
126.93388	0.9
135.08150	5.3
136.35722	0.9
137.02443	24.3
138.03201	1.8
151.00435	1.4
153.01932	16.2
153.04422	1.4
153.05569	20.1
153.09200	4.8
164.14929	0.8
166.99857	2.5
167.99342	1.5
178.99879	6.0
179.07098	7.2
182.02188	7.2
183.01715	3.3
197.00859	6.8
197.02681	1.3
197.04506	10.7
197.06291	1.5
197.08182	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	197.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
62.30724	0.2
63.88029	0.3
71.43682	0.3
73.02943	100.0
74.03277	0.6
85.60179	0.3
117.01913	0.5
123.00877	0.6
123.08160	0.6
123.11580	0.3
138.03253	0.3
151.11220	0.3
152.95979	0.4
152.98550	0.3
153.05589	0.5
159.91202	0.3
166.99855	0.4
167.99391	0.7
172.49586	0.3
182.02222	1.1
183.01729	0.9
197.04570	0.5
197.11833	6.2
217.86856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14880	0.9
54.25999	0.9
57.03428	1.5
58.00603	0.9
59.01376	5.2
59.38765	0.7
61.98846	0.8
69.03445	3.2
71.01369	4.4
71.71593	0.7
84.02154	1.3
85.02936	7.4
86.00096	1.2
95.01379	1.4
97.02939	10.0
100.01649	1.9
106.04249	1.2
108.02181	3.3
109.02918	1.4
109.06584	0.8
110.11678	0.8
112.01655	8.9
113.09705	3.0
116.92830	1.1
122.03735	3.2
123.00888	2.4
125.09750	1.1
125.93615	1.6
126.90469	1.7
137.09718	1.3
139.11282	2.6
141.09203	1.3
141.12860	4.5
143.10730	1.0
149.09677	6.1
151.11206	1.0
152.95979	1.2
153.01945	1.3
153.05539	1.3
153.09224	1.2
153.12849	3.3
166.99869	1.6
167.10780	14.5
167.99342	3.5
168.90456	1.6
169.12340	8.4
179.10782	6.1
182.02161	4.7
183.01688	5.4
197.04526	2.5
197.08130	5.7
197.11827	100.0
198.04126	1.2
198.12152	1.0
215.12943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.14557	1.5
56.05901	1.4
59.01356	1.5
66.16190	1.3
66.29509	1.4
69.33407	1.3
72.99302	1.5
94.00841	1.4
97.99110	1.3
111.55882	1.4
112.01660	2.6
116.92859	2.6
121.02917	1.4
123.00861	6.6
125.93591	4.1
126.90495	3.1
152.95940	4.1
153.01927	2.6
153.05565	2.6
153.09262	1.9
153.12877	2.6
160.75801	1.4
166.99831	3.8
167.99358	6.5
168.90471	4.4
169.12325	16.6
178.99922	1.9
179.10754	1.5
182.00726	1.4
182.02126	7.2
183.01685	7.3
196.95000	2.0
197.02115	3.0
197.04485	1.5
197.11816	100.0
198.04036	2.3
198.12183	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	198.9447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18824	0.7
58.76342	0.8
59.01366	2.0
69.70697	1.8
69.71047	1.9
70.00109	0.8
125.44661	0.7
127.93152	100.0
129.36823	0.8
129.92308	2.5
139.93150	53.6
153.48335	0.9
154.95497	92.6
155.87128	2.2
173.93669	1.9
198.94470	18.6
213.70105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0611
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
50.43855	1.2
55.44630	1.3
57.03448	45.3
59.01377	100.0
67.77849	1.2
70.50976	2.4
83.05025	29.6
86.06573	1.3
95.04977	1.4
109.06597	25.4
111.08147	15.8
112.01617	1.5
125.02430	1.5
127.07652	18.8
137.06050	3.1
155.07152	17.0
189.95963	1.3
199.06122	59.7
199.17058	2.6
200.06473	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0612
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
59.01352	0.6
60.11348	0.5
70.82714	0.5
71.01390	0.6
85.77267	0.4
95.05035	1.1
97.06590	7.2
99.00876	13.2
103.28307	0.4
109.06552	2.3
112.01670	10.3
125.02441	21.0
125.06079	1.1
127.07634	1.7
127.93156	1.0
137.06082	13.1
137.09676	1.2
139.93178	0.6
144.00656	0.8
153.05624	2.7
154.95544	1.3
155.07141	37.2
156.07501	0.6
167.13315	0.5
174.32138	0.5
181.05067	21.6
199.06113	100.0
200.06458	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	199.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88789	0.3
56.84897	0.3
59.01369	1.0
60.60965	0.3
79.42030	0.3
83.05024	0.7
85.22919	0.3
90.39708	0.3
99.00871	1.3
99.08182	0.7
102.33091	0.3
111.00870	0.5
111.08154	0.3
127.93149	8.8
127.94109	0.5
129.92357	0.4
137.09727	5.6
137.10735	0.2
139.93164	2.0
141.12819	0.5
154.95499	8.5
155.10776	100.0
156.11116	1.9
169.12280	0.8
181.08698	0.9
181.12218	0.4
198.94460	1.6
199.06082	0.4
199.09767	10.0
199.13412	3.3
199.17085	0.6
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
54.84137	0.5
57.16664	0.5
57.70555	0.5
59.01361	1.2
69.36433	1.8
69.36845	1.1
73.53596	0.5
83.01385	0.6
83.05061	0.5
98.22614	0.8
99.00889	1.6
99.08155	1.0
111.00970	0.7
113.95836	0.5
116.26412	0.5
127.93164	9.8
137.09724	7.2
139.93143	3.1
154.95494	8.2
155.10788	100.0
156.11053	2.3
167.17593	0.5
181.08736	0.8
198.94458	2.5
199.09760	10.8
199.13365	1.2
199.17035	0.6
219.88655	0.6
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
57.03485	0.2
58.00589	0.6
59.01379	0.7
60.79364	0.2
69.03448	0.4
69.30246	1.3
73.02965	0.7
75.59821	0.2
83.05042	0.7
86.21413	0.2
92.40372	0.2
109.06618	0.2
125.09721	0.7
127.11299	0.3
127.93164	3.5
128.13902	0.2
137.09721	6.8
139.93152	1.0
153.09169	0.4
154.95517	3.2
155.10780	100.0
156.11099	1.9
171.10271	2.0
181.08636	1.4
184.02017	0.3
198.94479	0.8
199.09760	15.2
200.10179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10420	2.1
56.26509	2.2
59.01367	4.0
59.07290	2.2
61.98827	21.9
67.70969	2.0
68.99799	2.4
69.96175	3.6
69.96490	2.8
74.03589	2.1
79.30157	2.3
80.18578	1.7
83.01383	3.0
95.90051	1.9
99.00880	5.5
111.00867	2.8
125.87309	3.0
127.00448	2.7
127.93143	100.0
129.92368	3.1
130.68282	2.0
130.95393	1.9
139.93181	18.0
154.95486	87.8
155.87135	6.0
168.99692	3.1
184.02060	4.6
198.90645	4.2
198.94463	19.4
198.98737	2.5
199.13371	36.5
200.01170	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99967	0.3
59.01376	100.0
60.01712	0.5
62.93181	0.3
68.40976	0.3
69.34560	1.8
87.84048	0.4
97.83018	0.3
113.04622	0.5
125.01367	0.3
135.55334	0.3
140.42709	0.4
157.03551	6.6
159.01472	2.0
201.02542	14.4
202.02737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51940	0.4
59.01377	100.0
60.01715	0.7
60.47842	0.3
69.00956	0.8
70.27211	0.6
71.57334	0.3
85.02978	0.4
95.05012	0.7
98.26749	0.4
99.04539	0.6
111.04525	0.5
113.06092	0.8
113.14459	0.3
114.05643	0.5
117.00421	0.5
125.09711	0.5
131.08278	0.8
139.04002	3.2
139.07690	0.5
140.07188	0.6
141.93573	0.8
156.07751	1.0
157.03577	4.7
157.04907	0.6
158.03679	0.4
158.08128	0.5
159.00179	0.4
159.01463	2.8
172.97725	1.8
175.02744	0.6
183.02939	0.8
200.97141	1.0
201.00969	0.7
201.02525	15.6
201.04063	1.3
201.07719	1.0
201.13547	0.4
202.02724	0.5
211.34280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0403
Annotation	cis-(Homo)2-aconitate
Peak:m/z	Relative Intensity
57.03444	1.6
58.00569	1.2
58.02966	1.7
59.01382	6.2
63.47968	1.0
67.01856	1.8
69.03450	4.9
71.01375	2.9
71.05036	1.2
72.99309	16.4
73.02924	1.5
75.00861	3.8
81.03452	5.4
83.05025	4.3
84.04537	1.3
85.02937	2.9
86.06139	1.6
87.00880	7.0
93.03454	3.1
95.05022	28.1
97.02979	2.0
98.02488	1.9
98.06133	2.0
98.22663	3.8
99.04528	15.5
100.04046	3.0
100.28127	1.3
101.06094	1.4
108.23390	1.1
109.02985	1.9
111.00895	9.9
111.04512	11.3
111.76707	1.1
113.00679	1.4
113.06062	6.2
116.07146	2.6
121.02944	8.6
123.00869	5.1
124.01656	5.8
129.01932	9.6
129.05571	3.2
130.08649	1.7
139.04012	100.0
140.07147	4.1
143.03470	2.1
156.06702	3.2
157.05051	6.1
158.08243	5.2
165.01917	19.4
183.02979	61.4
195.54597	1.0
201.04039	83.0
202.04472	1.6
202.07193	3.5
216.11000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0767
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
52.43731	0.8
55.10256	0.9
59.01375	1.7
61.29411	0.7
69.79684	2.2
69.80027	0.9
71.01364	1.3
72.99289	0.9
83.05024	1.4
99.04518	1.0
109.06590	3.4
111.08151	44.9
121.06562	2.2
139.07646	21.2
140.08025	0.9
155.07130	14.0
157.08688	20.5
183.06595	2.7
201.07664	100.0
202.08043	2.0
206.90965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
54.70409	0.6
59.01375	5.2
66.07810	0.5
71.01382	1.4
83.05029	1.0
98.47955	0.6
99.04536	0.9
109.06580	1.7
111.04555	0.6
111.08154	34.4
112.08469	0.9
118.70200	0.7
121.06544	1.5
138.44263	0.6
139.07645	20.0
155.07141	11.1
157.08688	15.7
183.06601	2.6
201.07677	100.0
202.08015	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.41583	0.6
57.03446	5.1
59.01376	35.6
69.03461	0.7
69.30431	3.0
69.52982	0.6
73.39187	0.6
90.51514	0.6
98.22620	1.5
99.92597	3.0
111.08183	4.7
125.09753	0.9
137.09738	2.0
139.11284	88.5
140.11583	1.3
141.86902	0.7
141.93147	10.6
157.03560	0.8
157.12347	1.8
159.01489	1.5
162.90875	0.7
164.90532	0.8
183.10252	41.0
184.10605	0.9
200.94585	0.7
201.02612	5.8
201.11310	100.0
202.11729	1.5
202.14255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
56.28934	1.3
59.01125	1.6
59.01379	25.6
61.98819	2.7
69.48393	5.5
99.92578	7.7
110.96995	1.2
116.92836	2.0
117.69236	1.4
128.42192	1.1
140.76050	1.1
141.93143	18.3
153.12808	4.2
155.14409	94.3
157.86771	2.1
164.83580	3.1
171.44394	1.4
183.13864	1.4
194.44940	1.3
201.02618	3.4
201.11331	4.3
201.14952	100.0
201.80270	2.7
202.15216	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	202.072
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
55.01867	1.6
57.03435	8.6
58.02974	18.2
59.01374	55.1
60.01717	5.9
69.03448	5.8
70.02985	4.2
72.04547	14.0
73.02914	1.0
74.02464	2.0
82.02986	5.2
83.01380	9.0
83.05022	1.0
84.00903	1.5
84.04538	12.2
85.02946	8.9
85.06608	1.2
86.06110	27.8
86.79930	0.9
87.00893	1.0
90.24062	0.9
94.02939	1.2
96.04554	5.0
97.02932	4.5
98.02473	54.5
98.06114	14.5
100.04038	28.8
108.04552	4.1
110.06112	6.6
112.04047	18.0
112.07667	14.1
114.05606	15.3
116.07173	26.8
122.06130	1.6
124.04028	1.8
128.03535	2.1
128.07170	33.8
130.08736	15.5
137.78047	0.8
138.05589	10.8
140.03517	1.6
140.07176	42.1
142.05087	2.1
156.03004	3.2
156.06651	61.1
157.07025	1.7
158.03712	3.1
158.08214	78.2
160.01587	1.1
184.02431	1.6
184.06126	2.1
202.02840	8.5
202.07196	100.0
203.02153	2.9
203.07518	1.4
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
56.99408	1.7
59.01377	100.0
69.03442	5.9
70.59872	2.6
71.01370	27.0
72.99329	1.8
85.02930	5.8
90.97151	2.2
97.02950	5.2
98.22587	1.8
99.00908	2.4
99.92529	1.6
100.92606	2.4
104.97711	2.9
113.02442	7.4
115.03941	1.6
116.07391	1.6
125.02414	2.8
132.98212	8.2
142.93657	3.0
143.92699	9.6
160.97678	16.3
174.99231	47.2
185.11760	3.7
202.94174	3.0
202.98752	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01377	12.5
69.39835	1.9
69.40235	1.3
71.01370	0.9
72.00906	19.7
74.02471	37.2
84.46317	0.7
98.21906	1.0
103.92118	0.6
116.05061	100.0
117.05415	1.7
129.05836	1.3
130.06659	3.7
132.08173	0.7
132.98224	1.5
142.06613	27.6
142.07724	1.4
157.07675	1.1
159.09276	19.5
160.97658	1.9
174.99239	7.2
186.05634	4.5
186.66808	0.6
202.98763	3.3
203.08243	71.2
204.08604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.26799	0.6
59.01370	2.5
69.89008	1.4
69.89342	1.1
72.00907	17.6
74.02472	38.6
89.52850	0.7
92.48772	0.9
92.51238	0.9
116.05062	100.0
117.05407	1.8
129.05856	1.5
129.81480	0.8
130.06624	3.2
133.31601	0.7
142.06615	27.6
157.07767	0.9
157.55428	0.7
159.09283	20.6
161.55725	0.8
186.05548	3.0
203.08255	65.6
204.08640	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	203.0925
Annotation	Phellodendric acid A
Peak:m/z	Relative Intensity
59.01377	14.1
62.93615	0.4
64.14989	0.5
72.99292	0.6
73.02947	0.7
83.05030	0.7
97.02940	0.5
97.06653	0.5
100.92586	0.6
103.92056	0.7
111.08155	5.0
112.73620	0.5
113.09728	4.0
123.08172	3.6
134.43300	0.7
139.07619	2.0
141.09221	39.5
143.92699	0.6
148.95462	0.6
157.08698	48.0
158.09074	0.6
159.03285	0.4
159.04610	0.5
160.06494	0.5
160.97710	2.7
173.55984	0.4
174.99254	6.7
175.00688	0.8
175.08759	1.5
179.78506	0.4
184.65189	0.6
185.08162	4.7
200.61617	0.4
201.07707	0.7
202.98747	2.9
203.09248	100.0
204.09578	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59285	0.4
57.03435	2.5
59.01370	3.9
63.37194	0.4
67.01883	6.6
71.01369	1.6
72.99315	4.3
73.02937	4.6
75.00871	1.1
76.10793	0.4
81.03459	0.5
83.01369	0.7
83.05019	0.6
85.02948	1.8
87.00871	41.4
97.06570	1.8
98.22548	1.0
99.04527	4.1
101.02448	1.1
111.00876	100.0
112.01213	0.7
115.04001	1.9
125.02433	1.5
125.06069	1.0
129.01944	1.0
143.03494	10.4
143.07138	7.6
145.01392	0.9
145.05064	7.6
154.99860	2.1
169.01410	1.7
169.05006	1.0
173.00903	3.1
187.06161	2.7
205.03503	4.7
205.07149	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03431	5.2
59.01376	24.3
67.01884	7.6
68.99811	2.7
71.01376	20.4
72.99303	21.9
73.02954	8.5
75.00870	13.9
81.03454	11.4
81.12537	1.6
83.01385	4.2
85.02935	8.4
87.00874	50.1
89.02438	2.5
90.55386	1.9
97.06563	2.7
99.00871	21.8
99.04517	6.7
101.02424	9.5
101.23103	1.8
108.81509	1.7
110.74174	1.9
111.00877	100.0
112.98812	12.9
113.02413	2.9
115.00376	23.8
115.03986	4.2
117.01863	4.4
124.98763	3.2
125.01617	2.7
125.02444	35.7
127.00409	2.4
127.03988	2.3
129.01930	4.0
129.88573	1.7
131.03473	2.3
142.99886	5.7
143.03487	15.7
143.07143	9.0
145.01411	5.6
145.05063	7.3
154.99854	7.5
161.04414	2.0
173.00938	3.5
175.02469	2.3
187.06107	2.3
205.03519	28.0
205.07098	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.6
57.03425	9.6
59.01376	77.5
59.38998	3.5
67.01893	4.6
68.99799	5.6
69.36283	15.8
71.01381	76.2
72.99310	34.0
73.02946	14.7
75.00867	29.2
81.03439	4.1
83.01367	17.6
85.02950	8.6
87.00875	39.8
88.98821	3.5
89.02431	14.9
99.00880	58.3
101.02429	7.4
103.00458	4.2
111.00873	46.9
112.98803	100.0
115.00361	68.4
117.01936	11.0
124.98776	9.5
125.02473	25.9
127.00350	5.5
129.01936	20.5
133.01466	4.5
142.99820	15.0
143.03526	4.5
143.07092	4.9
145.01431	26.6
145.05052	7.3
154.99866	12.8
173.00864	10.3
175.02489	4.9
187.59984	3.5
205.03444	11.4
205.07109	9.8
205.15945	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	205.1233
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
50.05677	2.0
59.01373	11.4
71.01381	9.4
72.99303	8.1
75.00870	5.8
85.02969	1.8
87.00869	5.8
89.02467	2.3
89.62963	2.0
92.23378	2.0
93.07086	3.6
96.79697	2.2
99.00878	4.8
105.07092	6.4
111.00871	3.2
115.00381	5.1
124.98746	2.9
125.02378	3.2
130.85042	2.3
135.11803	5.0
142.99924	2.1
145.01364	2.6
145.92476	2.4
150.06857	20.6
161.13345	25.4
163.19415	2.2
197.72202	2.1
203.30734	2.1
205.03397	3.0
205.08849	4.3
205.12326	100.0
205.15506	4.0
205.15823	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.19946	0.8
58.02975	37.1
70.02978	11.7
70.05514	1.0
70.05827	0.8
72.00913	6.1
82.60515	0.8
91.05534	28.9
92.05889	0.9
98.22616	0.9
98.70465	0.8
103.05539	2.1
126.73161	0.7
135.04535	0.8
147.04523	38.4
148.04863	1.0
162.09277	1.1
164.07162	100.0
165.07539	1.3
169.01784	0.7
206.08215	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	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40851	1.0
57.76839	1.0
58.02973	89.1
58.89524	1.1
59.01376	2.1
69.21837	4.1
70.02685	1.0
70.02981	11.7
72.00898	4.7
77.51815	0.9
91.05006	1.7
91.05534	20.0
92.02016	0.9
103.05492	1.8
140.48827	1.0
147.04518	29.2
162.09264	1.5
164.07164	100.0
173.28247	1.1
194.94017	1.0
196.38123	1.0
206.08205	55.8
207.08534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01337	0.5
68.75523	0.1
79.05486	0.1
85.02343	0.1
95.01308	0.2
108.02164	1.5
111.00874	0.2
121.06578	0.3
122.03719	0.2
123.00853	0.1
123.04569	0.7
136.01663	3.9
137.02335	0.1
147.02856	0.1
148.01643	0.3
149.99545	0.5
151.00366	0.2
151.43253	0.1
163.00365	1.1
163.03806	0.1
163.07626	0.8
164.01146	13.7
165.01509	0.2
166.96962	0.1
177.01843	0.2
178.99864	4.6
179.01462	0.2
192.00638	100.0
193.00958	1.9
207.02977	8.1
207.06580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0297
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
55.98830	0.2
69.00671	0.2
69.06710	1.0
75.55656	0.2
108.02190	1.5
123.98474	0.2
136.01648	3.3
148.01704	0.2
149.99609	0.2
163.00375	0.8
164.01146	15.8
165.01500	0.3
178.20917	0.1
178.99860	3.0
192.00635	100.0
193.00941	2.3
207.02972	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	207.0662
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
55.04404	0.5
57.92204	0.5
59.01378	5.4
59.44756	0.5
61.09774	0.5
66.19796	0.6
68.39061	0.5
69.22073	2.7
77.03979	0.7
78.91869	0.7
80.62593	0.5
80.91649	0.7
88.30013	0.6
93.03461	3.4
95.05011	2.3
99.00906	0.5
105.03442	1.0
108.02167	0.6
109.02911	1.5
119.80797	0.6
121.02966	5.0
123.04518	6.3
135.04532	2.4
136.05286	0.8
148.05295	1.1
149.02437	16.8
163.03967	1.3
163.07668	1.3
174.06908	0.8
177.01923	90.0
178.02246	1.3
178.99950	0.7
189.09286	0.9
191.03496	2.3
192.00687	6.5
192.04277	100.0
193.04640	1.7
206.78902	0.6
206.99283	0.8
207.02995	1.4
207.06628	28.9
207.10190	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	207.1024
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.44881	0.3
58.02586	0.3
59.01368	1.1
60.41703	0.3
68.99816	0.4
69.11993	1.9
71.01377	1.0
74.13992	0.3
78.91897	0.3
80.91663	0.4
95.01378	1.9
107.01371	0.5
108.02171	20.8
109.02927	0.3
111.00877	0.5
119.04975	0.4
121.02952	0.8
122.03736	9.6
123.00910	0.5
124.01665	0.8
134.03822	0.3
135.04504	1.3
136.01688	2.5
136.05296	8.2
149.06084	0.6
150.03247	2.1
163.04022	3.4
164.08423	23.0
168.04335	0.6
177.01929	1.0
177.05515	0.8
179.07195	0.3
191.07123	1.1
192.00684	0.7
192.07916	28.1
193.08215	0.7
196.07436	0.5
206.78870	0.6
207.10252	100.0
208.10608	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	207.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98823	0.4
67.01894	0.2
68.99807	0.2
69.48046	0.6
70.09014	0.1
71.01392	0.9
78.91899	0.3
80.91679	0.3
83.01385	0.4
93.03452	0.3
95.01385	2.3
96.02176	0.3
107.55553	0.2
108.02172	20.8
109.02972	0.4
111.00875	0.6
121.02943	0.5
121.50758	0.2
122.03735	9.5
123.00881	0.7
124.01678	1.0
133.02913	0.2
135.04529	1.3
136.01665	2.0
136.05298	8.5
149.02466	0.2
149.06075	0.4
150.03220	3.0
163.00455	0.2
163.04019	3.1
163.07600	0.2
164.08420	22.0
165.08784	0.4
168.04248	0.2
177.01936	0.5
177.05537	1.1
177.09135	0.3
179.07144	0.3
191.07079	1.1
192.00650	0.6
192.04330	1.2
192.07915	28.1
193.08217	0.7
196.07309	0.7
206.78955	0.3
207.10252	100.0
208.10545	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	207.1025
Annotation	Phomolide A
Peak:m/z	Relative Intensity
57.64375	0.6
63.88843	0.6
69.36842	2.5
69.37240	1.3
95.01366	1.5
95.12499	0.6
108.02171	24.6
118.67357	0.6
122.03729	8.1
135.04530	1.0
135.55922	0.6
136.01634	3.0
136.05296	8.8
138.15707	0.6
150.03204	3.1
163.03992	3.6
164.08423	23.9
177.05612	0.9
192.07925	29.1
193.08327	0.7
207.10255	100.0
208.10626	2.1
210.29514	0.6
215.12502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1388
Annotation	(6R,9R)-9-Hydroxy-4-megastigmen-3-one
Peak:m/z	Relative Intensity
52.32624	2.6
57.03160	4.1
57.03441	68.3
59.01377	26.6
59.71982	2.9
69.03443	4.9
70.40802	3.9
71.01369	5.5
73.02939	4.1
78.91874	2.5
80.76547	2.7
81.03487	4.3
85.02948	3.1
100.85518	3.0
106.04213	2.9
109.06598	15.5
119.88876	2.7
121.06570	6.1
129.01906	3.9
129.56041	3.0
133.06532	2.9
137.09727	30.1
139.07649	5.4
141.26231	2.8
147.02985	3.7
149.02371	4.8
149.09738	3.8
151.07571	4.1
163.00365	4.4
163.07629	8.4
163.11301	3.7
177.01974	19.6
189.12872	3.4
192.00655	19.5
192.04245	17.1
192.11555	44.5
207.02937	4.2
207.06602	10.6
207.10095	5.7
207.13887	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	207.1388
Annotation	7,8-Dihydro-alpha-ionone
Peak:m/z	Relative Intensity
57.03445	74.0
59.01384	16.4
69.03445	5.7
70.41528	3.1
71.01361	2.2
71.05006	3.9
79.64438	1.6
81.03423	1.9
97.02932	3.5
109.06590	13.8
121.06573	3.9
129.01930	3.0
133.06558	2.4
137.09717	23.2
139.07632	3.8
146.68303	1.7
147.02997	2.7
149.02451	2.6
149.09700	6.1
151.07590	2.1
159.42221	1.6
163.03983	3.4
163.07640	7.5
163.11296	1.9
165.12862	1.9
177.01953	12.7
189.12912	2.9
192.00641	10.5
192.04280	11.9
192.07910	2.8
192.11554	40.5
202.46046	1.7
207.06599	6.2
207.10220	6.9
207.13884	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	208.0615
Annotation	(S)-MCPG
Peak:m/z	Relative Intensity
59.01379	0.7
69.27717	1.2
69.28111	0.9
73.90497	0.4
98.21847	1.1
104.05075	1.3
105.05828	7.9
106.06642	2.7
108.04565	1.8
110.02460	0.6
111.38894	0.5
118.06602	2.8
119.03755	0.5
120.02174	0.8
120.04589	2.6
120.08235	0.5
120.35588	0.4
121.02974	4.9
121.05321	2.0
122.06145	2.9
122.58221	0.5
122.73327	0.4
132.04550	6.3
134.06129	1.4
134.94319	0.5
136.04063	0.7
138.79070	0.4
146.06110	0.6
149.04845	4.9
164.03546	2.3
164.07155	100.0
165.07527	2.0
181.03836	0.8
208.06198	2.9
208.13356	0.7
220.70613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01379	0.7
66.01118	0.3
70.08252	0.7
71.01390	0.3
71.08942	0.2
73.28005	0.2
83.05035	0.8
85.02971	0.4
91.01888	0.7
91.05531	15.8
93.03453	2.5
108.02180	0.3
108.58425	0.2
109.10373	0.2
109.95100	0.2
117.01964	0.3
117.03465	0.4
119.05034	0.3
120.01288	0.3
120.02172	9.6
121.02954	100.0
122.03278	1.0
135.04526	0.8
136.01675	0.8
137.02451	3.2
138.64954	0.2
147.04512	1.4
149.02451	1.1
151.03970	0.3
156.66209	0.3
163.04007	0.6
164.94101	0.5
165.05542	3.8
173.46213	0.3
179.03510	0.4
191.07138	0.3
208.93048	0.3
209.04533	13.9
209.08145	9.3
209.11784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0454
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
51.67653	0.3
59.01376	0.6
61.39599	0.3
69.18871	0.7
69.19279	1.3
85.02959	0.5
91.01881	0.8
92.02683	0.4
96.96017	0.3
106.09526	0.3
120.01289	0.4
120.02171	11.4
121.02953	100.0
122.03281	0.9
136.01674	0.7
144.73682	0.3
165.05519	0.4
167.35902	0.3
209.04518	12.3
209.07939	0.5
209.11826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
70.37693	0.6
71.01381	0.9
73.02932	0.9
76.16661	0.4
79.63242	0.4
85.02967	0.5
91.05532	69.9
92.05872	0.5
93.03436	3.6
117.01971	1.0
117.03456	1.2
119.05039	0.9
120.02174	12.2
121.02955	100.0
122.03236	1.0
135.04538	3.3
136.01659	1.0
137.02435	3.8
147.04526	5.1
147.08221	0.4
149.06046	1.0
150.03271	0.7
163.04066	2.0
163.07599	1.0
165.05565	12.3
166.73859	0.4
179.03479	0.7
191.07132	1.2
209.04546	13.4
209.08163	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04006	0.3
59.01363	0.4
60.27487	0.3
62.97572	0.3
69.22260	0.7
69.22663	1.1
81.77975	0.3
106.90929	0.3
108.02165	0.4
120.02167	1.0
121.02963	7.2
122.03738	88.3
123.04081	1.3
135.88487	0.3
137.06081	100.0
138.06400	1.2
150.14998	0.3
154.02710	0.6
209.04512	1.1
209.11824	10.6
222.77353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74082	0.8
55.85216	1.0
57.03431	1.9
59.01374	1.5
61.79053	0.8
69.03475	1.2
71.05025	4.6
73.02936	3.5
79.02600	0.8
80.02665	2.0
81.03448	4.2
83.05023	18.4
84.02126	1.0
85.02947	1.4
85.06609	1.0
93.03439	0.9
95.05008	4.6
97.06587	67.4
106.04274	1.1
106.66045	0.8
108.02146	1.1
109.06583	9.3
110.03754	1.5
111.04522	5.4
113.06078	4.8
120.02176	6.4
121.02956	61.2
121.06573	2.2
123.04430	0.9
125.06089	1.8
133.06551	1.1
135.08168	20.2
136.05283	1.6
137.06091	2.0
139.07632	3.2
151.07591	1.0
153.09212	5.9
163.11230	7.3
165.09210	13.5
165.10495	1.5
165.12854	5.5
173.09737	2.6
181.12331	3.8
191.10788	17.4
194.02144	1.0
199.30872	1.1
209.04378	6.4
209.11821	100.0
210.12230	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	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71447	0.4
59.01377	0.6
66.03796	0.4
69.38429	1.8
74.20485	0.3
80.02676	2.5
81.23772	0.3
83.05011	0.6
85.06567	0.9
93.03448	1.1
95.01341	0.4
99.08155	0.6
108.02174	30.1
108.05202	0.4
109.02959	12.6
120.02158	1.0
121.02955	12.3
123.04524	5.1
135.04555	0.5
137.02440	38.3
138.03271	2.7
149.09720	0.5
151.03984	7.3
163.11264	0.7
176.08392	0.9
177.09166	3.5
179.07205	0.5
191.10794	1.6
193.08684	4.2
194.09473	12.8
209.04504	1.4
209.11819	100.0
210.12187	2.3
226.08461	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03443	1.9
59.01377	100.0
69.78383	1.3
73.95741	0.4
81.03447	1.7
97.06573	2.7
107.37629	0.4
109.06575	3.0
121.02936	4.0
134.89412	0.4
150.63425	0.4
165.12872	3.1
191.19095	0.4
209.04471	0.9
209.09795	0.8
209.11809	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	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
50.92466	0.8
55.01890	0.7
57.03440	4.7
58.00582	1.2
59.01376	4.4
61.98822	1.8
63.53400	0.8
65.00306	0.9
69.03443	1.8
70.55698	0.9
71.01376	19.9
71.05014	1.1
73.02948	1.0
80.02669	2.7
80.91676	2.1
81.03448	2.8
83.01383	3.8
83.05061	4.0
84.02158	2.5
91.75538	0.9
92.99817	3.3
93.03462	1.4
95.05035	1.9
96.96011	2.3
97.02966	1.2
97.06592	3.3
98.22655	2.9
111.08147	2.4
118.94200	3.1
119.54417	1.0
120.02151	3.2
121.02950	39.4
123.08145	1.9
125.02452	1.0
125.09726	11.0
134.03723	1.9
135.08226	1.6
137.09738	1.0
145.10248	2.2
147.11790	2.4
149.09744	1.3
151.11276	23.6
153.12840	3.8
161.09727	1.5
163.11261	10.0
164.98251	2.6
165.01881	1.0
165.11543	1.2
165.12863	18.4
167.10693	1.1
173.09668	2.5
179.10779	4.0
181.12338	46.1
182.12624	1.1
191.10776	18.3
192.08647	0.9
193.98759	1.0
209.04408	5.1
209.11815	100.0
209.19125	2.7
210.12158	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	209.118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
69.42760	0.6
69.43149	0.7
103.55624	0.3
113.45794	0.3
120.02203	0.9
121.02953	6.5
122.03732	91.6
123.04071	0.9
137.06073	100.0
138.06451	1.6
154.02690	1.0
209.04552	1.0
209.08322	0.4
209.11797	9.4
210.12280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0611
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
57.03449	1.5
57.30662	0.8
59.01375	12.7
65.03959	1.3
69.03455	5.1
71.01392	2.5
73.02922	1.3
78.95908	1.3
81.03450	1.6
82.77472	0.9
83.01372	2.4
83.05009	3.1
85.02961	3.2
85.26642	0.8
86.66716	0.8
93.03454	3.6
93.67059	0.8
95.01372	2.9
95.05006	3.4
97.02937	1.5
99.00894	1.2
105.07092	1.8
106.04219	1.1
107.05037	4.3
107.92828	0.8
108.02171	7.0
109.02930	2.4
109.05977	0.8
109.06592	5.0
110.00121	1.0
111.00868	2.1
111.04508	4.3
111.08151	5.3
112.01661	2.4
113.02470	4.3
117.03461	1.4
119.05074	0.9
121.06607	8.1
123.04532	4.5
123.08174	7.0
124.01658	5.6
125.02450	2.2
125.06039	1.4
126.03233	1.7
127.00336	3.5
133.14037	0.9
135.04510	1.3
137.02455	12.1
137.06050	7.0
138.03224	3.8
139.04001	5.6
139.07652	19.8
140.08009	0.9
149.06082	20.3
151.04016	8.4
152.01157	12.6
161.02440	5.0
165.05524	9.8
166.91058	6.7
167.03496	2.6
167.07126	30.5
168.07446	1.1
177.01886	1.2
179.03474	6.1
183.06609	10.4
193.05063	9.7
196.03793	1.0
210.89977	1.1
211.02504	8.4
211.06111	100.0
211.13380	2.4
212.06375	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.16832	0.4
63.33229	0.4
65.73517	0.4
70.14769	1.1
70.43288	0.4
78.49119	0.4
81.34183	0.4
94.19477	0.6
134.53865	0.4
156.85921	0.4
167.10779	0.8
167.14429	1.2
169.42308	0.4
183.13898	13.1
193.12337	4.0
211.13385	100.0
212.13712	2.2
213.55167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.9
73.81177	0.6
74.69421	0.6
94.07751	0.6
95.37856	0.5
116.98636	0.5
140.62587	0.5
147.83940	0.5
155.10754	0.6
167.14389	1.2
183.13884	14.4
183.15483	0.7
184.14264	0.6
193.12318	3.4
211.13388	100.0
212.13802	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	211.1339
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
59.01381	6.2
61.98847	9.3
67.01907	4.5
69.05392	4.1
69.90128	9.9
69.90473	4.9
77.16168	4.0
78.98271	3.8
83.95188	4.6
85.00433	26.6
98.21975	6.0
101.94807	4.4
103.31988	4.7
126.90409	5.2
129.44380	4.7
141.86806	44.1
142.87645	8.6
159.87895	15.2
167.10762	11.4
167.14485	4.5
183.13866	15.4
192.97913	5.2
193.12254	4.8
211.09731	6.9
211.13385	100.0
218.10043	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	213.0767
Annotation	multiplolide A
Peak:m/z	Relative Intensity
57.03448	1.6
58.00568	1.1
59.01385	3.8
60.99277	1.0
67.64420	0.7
69.03425	1.1
70.79852	1.3
71.01384	6.4
72.99293	1.1
73.02932	3.2
84.02145	1.4
95.01391	8.6
95.04492	0.9
95.04989	4.1
97.02946	4.1
97.06589	9.0
99.04520	1.2
108.02198	0.7
109.06578	9.1
111.19684	0.7
121.02950	2.5
121.06559	0.8
122.03722	0.9
123.04535	2.0
123.08155	5.1
125.06100	0.7
126.03240	0.9
127.07670	5.1
131.04858	0.8
133.06590	39.9
135.04523	1.2
151.07642	22.9
153.05559	1.7
169.08710	3.7
171.06596	3.3
177.05553	2.4
189.69604	0.8
195.06616	100.0
196.06961	3.2
213.07677	60.3
213.18584	1.7
214.08037	0.9
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	Botryolide A
Peak:m/z	Relative Intensity
51.16293	1.0
57.03437	3.2
59.01361	1.6
59.27368	0.9
67.01880	1.0
70.81065	1.1
74.97919	1.0
80.00368	1.1
81.03444	1.5
83.01374	1.5
93.03449	2.5
93.07077	1.9
95.05048	1.8
97.06595	3.3
98.80218	1.1
106.74303	1.1
107.05022	5.8
108.02160	3.4
109.02936	3.0
109.06583	36.8
115.06933	1.0
119.05029	2.8
121.02985	2.6
123.04523	1.8
127.73622	1.0
135.72319	1.2
137.06078	100.0
138.06465	1.3
141.05521	1.8
151.03986	1.9
153.05603	3.4
154.06450	1.6
154.48557	1.1
169.08624	8.3
180.04306	2.5
195.06630	6.2
202.74860	1.1
213.07684	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
55.28738	0.4
56.27335	0.4
57.03450	4.3
59.01376	3.9
69.03459	0.7
71.01378	4.5
71.27091	0.6
72.02152	1.6
73.02922	0.8
83.05025	1.4
85.02943	1.8
87.00854	1.2
87.04514	2.1
95.04993	0.6
97.06583	3.9
98.03752	2.0
101.02478	0.4
107.08661	0.6
111.08142	1.4
113.06071	0.8
115.00346	0.9
123.08171	2.9
123.70904	0.4
125.06080	2.3
125.09724	9.6
133.10268	0.4
135.08134	1.0
139.07657	1.7
139.11330	0.5
141.09196	5.3
141.12836	1.8
143.10803	0.7
149.09708	0.6
151.07681	2.4
151.11292	7.5
153.09212	3.0
155.07159	2.1
167.07071	0.6
167.10780	1.9
169.08633	2.3
169.12354	3.5
171.10255	1.2
173.92673	0.4
177.09184	1.8
195.08571	0.9
195.10249	10.9
209.71158	0.4
213.07787	3.1
213.11310	100.0
214.11696	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	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
50.12342	0.5
53.52190	0.4
58.46881	0.4
59.01403	0.6
69.03436	0.5
69.30172	1.5
97.06598	1.8
99.65848	0.4
107.05418	0.4
117.62377	0.5
151.11290	12.6
152.11618	0.4
169.12329	100.0
170.12659	1.9
194.99324	0.6
195.10242	1.0
197.99258	0.7
213.01567	0.5
213.11296	21.8
213.18677	0.5
219.33945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01389	4.2
62.91901	2.4
70.74607	5.2
85.00417	5.6
85.02913	2.6
96.96004	3.7
97.02966	3.7
112.97465	2.6
140.89670	2.5
143.86510	12.9
144.87268	4.7
161.87556	5.5
167.87123	4.8
176.48499	2.5
177.90326	2.7
185.15468	7.3
212.11234	3.2
213.12943	3.7
213.14934	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	213.1495
Annotation	3-Oxododecanoic acid
Peak:m/z	Relative Intensity
55.01866	1.4
57.03450	0.8
59.01368	1.5
60.55639	0.7
79.43015	0.9
79.96817	0.7
82.92022	0.8
91.37235	0.7
97.02966	1.0
138.26201	0.8
141.12833	1.2
165.12918	1.0
167.14415	8.1
168.21062	0.8
169.15974	100.0
169.84441	0.8
170.16292	2.0
183.62462	0.8
185.15384	0.8
197.99149	1.3
213.14961	64.5
214.15364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.86849	2.0
59.01367	4.4
61.98830	2.4
69.05257	1.9
69.84348	5.3
77.18996	1.9
85.00445	3.3
90.70703	2.0
95.05031	2.2
98.21936	2.3
116.21618	2.0
143.86516	8.1
144.87274	2.5
161.87401	1.8
183.17561	4.2
185.15446	5.8
213.00198	2.7
213.14975	100.0
213.18445	22.7
217.37534	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	213.1858
Annotation	Isoundecylic acid
Peak:m/z	Relative Intensity
52.66608	0.6
59.01371	1.7
61.98824	0.8
76.89041	0.7
77.30899	0.7
79.27296	0.7
81.10465	0.7
85.00415	3.1
87.22753	0.6
96.95995	1.5
97.60510	0.7
111.78011	0.7
115.82726	0.7
124.22350	0.9
124.31259	0.6
125.87314	1.1
143.86526	5.8
144.87247	0.9
154.90599	1.2
161.87527	2.2
167.87138	1.3
176.98254	0.8
177.90308	4.5
190.74309	0.8
194.99315	0.7
195.17615	1.2
197.99242	0.7
205.77670	0.7
213.06645	1.9
213.18588	100.0
214.18930	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	213.186
Annotation	Methyl laurate
Peak:m/z	Relative Intensity
51.01129	0.5
58.00322	1.0
58.00592	13.4
59.01374	2.2
61.88976	0.6
69.03450	0.8
69.11031	4.1
71.01387	3.4
72.99285	0.7
73.02937	4.8
83.05032	0.9
84.02142	0.8
85.00430	0.7
97.06564	0.6
103.48620	0.6
103.98733	0.5
125.87354	0.9
127.34918	0.6
131.35423	0.6
143.86534	2.2
151.00172	0.7
161.87601	1.3
167.87169	0.8
168.99048	0.7
169.92949	0.6
177.90285	0.9
181.15981	6.5
183.17535	93.5
184.17876	2.2
195.17513	2.1
197.99121	1.4
211.17027	11.0
213.06725	1.6
213.18596	100.0
214.18933	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	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06852	0.4
57.06585	0.4
58.14243	0.5
59.01378	3.5
60.01707	0.6
69.55049	1.5
71.01381	11.3
71.01778	0.6
71.05016	18.1
72.00903	0.8
88.04039	100.0
89.04399	0.6
98.22675	0.5
99.04524	6.2
104.63886	0.5
109.05193	0.5
110.22559	0.4
110.93816	0.5
116.07156	2.9
129.05595	1.3
146.08228	45.9
175.99619	0.5
218.00827	0.6
218.10324	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	218.1033
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
59.01379	3.0
62.38619	0.7
69.75667	1.9
71.01379	9.4
71.05016	18.6
78.14541	0.5
88.04041	100.0
99.04504	5.2
116.03545	1.0
116.07178	2.1
129.05621	1.4
146.08237	51.1
218.10332	32.5
219.10571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72701	1.1
55.01866	2.5
57.03443	6.1
59.01382	20.2
69.03445	1.8
70.13072	3.1
71.01378	10.5
71.05016	2.4
73.02942	5.5
75.00856	3.1
80.24699	1.1
81.03455	30.5
82.23312	1.3
83.00906	2.3
83.01389	31.1
83.05019	2.5
85.02946	13.6
85.06580	1.8
87.00868	6.6
87.04517	6.6
88.04046	4.7
89.04391	1.3
93.67570	1.2
95.05022	3.6
97.02950	35.5
99.00883	11.1
99.04512	24.5
101.02440	9.6
103.00371	1.5
111.00882	3.6
111.08129	3.1
113.06080	5.2
115.04004	9.5
125.02448	100.0
126.02813	1.6
127.00359	8.0
127.07657	1.8
129.01942	7.0
129.05583	4.5
131.03592	1.3
133.05081	6.9
135.07173	1.3
139.04010	9.6
143.03526	13.0
143.07101	3.2
145.01373	6.3
145.05043	2.3
157.04997	6.7
157.08727	8.3
159.03009	27.5
159.06618	9.6
173.00862	1.3
178.47240	1.4
187.00771	1.8
187.02466	34.3
201.04024	3.0
201.07693	3.8
218.99486	1.5
219.03185	2.5
219.05145	23.4
219.08696	20.6
219.10744	2.5
219.17549	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	221.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.6
59.01379	100.0
71.01375	10.7
71.05019	1.4
72.79263	1.5
72.99310	5.6
73.02937	9.5
73.99186	1.3
81.26347	1.5
85.02953	6.3
87.00879	6.4
89.02455	3.7
93.31831	1.4
99.00949	2.0
99.04504	1.7
101.02449	8.1
113.02443	5.2
115.00339	3.5
123.70716	1.3
129.01929	17.9
131.03523	2.8
149.06091	2.2
161.04643	7.3
195.78026	1.5
203.02023	1.7
221.04620	3.2
221.06625	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	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
50.23454	1.8
53.76219	1.6
53.98726	1.5
54.93850	1.4
56.74315	1.5
57.03452	3.2
59.01376	100.0
69.27522	1.7
71.01377	8.1
71.41410	2.3
73.02957	8.7
75.00871	2.1
78.95895	7.1
83.01386	2.9
85.02941	5.4
87.00867	3.3
89.02446	4.1
101.02432	8.1
113.02415	2.6
122.89430	5.0
129.01955	14.3
158.20314	1.6
161.04568	9.6
221.04735	2.4
221.06572	9.3
243.03062	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	221.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03448	3.4
59.01377	100.0
63.56019	0.6
69.03416	0.8
71.01382	24.5
72.99323	1.8
73.02943	17.9
74.02451	0.8
75.00882	1.2
78.95922	1.1
81.03461	0.9
83.01380	6.5
85.02948	14.6
86.00084	0.7
87.00900	1.2
89.02455	4.8
89.43779	0.6
90.93360	0.7
95.01408	2.2
97.02995	1.2
99.00883	4.1
100.14616	0.6
101.02440	33.1
105.71094	0.7
111.00893	1.0
113.02443	11.4
118.99347	1.0
119.03536	1.6
121.02968	1.0
125.02477	1.4
129.01961	2.5
131.03497	0.9
138.50275	0.6
141.01971	1.0
143.03551	1.5
149.02470	0.9
153.05608	2.1
159.02986	1.8
161.00403	2.3
161.04552	11.9
164.07181	1.1
178.98488	4.0
193.01465	2.2
220.99513	2.8
221.01068	2.6
221.02629	1.4
221.04610	2.9
221.10207	7.2
222.07817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1182
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.24199	0.8
59.01378	25.5
61.98825	2.3
71.01389	2.0
73.02944	3.2
109.02937	3.0
119.04097	0.8
122.03738	14.8
123.04498	0.9
125.02452	2.5
136.05296	8.5
139.02185	1.1
146.66362	0.9
150.06873	7.6
156.35497	0.8
161.04491	1.4
162.83940	4.4
164.04755	2.6
174.89978	1.3
177.05536	2.9
177.09229	1.1
178.09978	27.5
178.98480	3.2
205.08658	1.9
206.09476	25.1
220.99561	2.7
221.11827	100.0
221.15067	10.6
222.12184	2.2
238.08487	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	221.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.1
59.01379	19.7
69.03418	1.3
69.34004	1.7
69.34414	3.1
71.01374	1.1
73.02940	2.1
83.05021	2.1
85.02946	1.8
91.05550	0.9
93.03449	3.2
95.05030	1.4
96.48820	0.9
109.02934	3.0
109.06593	2.2
113.02427	1.1
119.08691	4.9
121.02962	1.0
121.06593	2.9
123.08198	5.3
123.08981	1.1
133.06572	1.0
135.08165	4.0
136.05263	2.7
137.09702	4.2
138.03218	2.5
149.06068	3.1
149.09758	1.1
151.07623	4.4
151.11287	10.2
159.08240	0.9
161.04636	1.0
161.09708	26.6
163.04004	0.8
163.07639	10.0
164.08452	3.2
165.05591	1.4
165.09151	1.7
177.09203	2.7
177.12810	6.0
178.06349	5.5
178.09975	4.1
178.98515	1.9
179.10777	49.6
179.76553	0.9
180.11162	1.1
185.09544	1.1
187.07605	6.4
188.08427	3.0
191.03520	2.7
191.07150	9.7
192.04265	13.0
192.11398	1.0
193.12323	15.9
196.17445	0.8
203.10767	75.8
204.11119	2.4
205.08620	1.1
206.09470	32.7
220.99466	1.0
221.08214	4.7
221.11812	100.0
222.12201	3.6
224.71909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.7
59.01377	19.1
59.69905	0.8
65.71795	0.7
69.08111	4.8
71.01376	1.5
73.02930	2.1
83.05024	2.5
85.02946	2.0
93.03445	2.7
95.01378	0.8
95.05035	1.3
101.02444	1.1
107.04962	0.9
109.02962	4.6
109.06567	1.5
111.04507	1.2
113.02477	1.1
119.08644	5.7
121.06566	3.1
123.04456	0.9
123.08175	4.4
124.01601	0.8
125.06068	1.8
129.44762	0.7
135.08119	3.9
136.05290	2.0
137.09668	3.5
138.03221	1.7
149.06059	2.4
149.09698	1.3
151.07582	4.1
151.11284	8.2
159.08072	0.8
161.04546	1.4
161.09706	28.2
162.10011	1.2
163.04033	1.1
163.07664	9.9
164.08371	3.0
165.05582	1.5
165.09305	0.9
169.16679	1.0
173.06038	0.7
177.09180	2.0
177.12852	6.9
178.06326	6.5
178.10008	6.7
178.98448	1.4
179.10765	50.1
180.11147	0.9
185.09763	1.4
187.07637	7.5
188.08389	2.6
191.03455	2.1
191.07104	7.9
192.04292	11.3
193.12320	17.0
203.10770	80.4
204.07970	0.9
204.11090	1.9
205.08698	1.4
206.09467	34.7
220.99551	1.5
221.08203	4.9
221.11812	100.0
222.12213	2.5
240.35477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1182
Annotation	Annuionone B
Peak:m/z	Relative Intensity
51.92224	0.3
52.86380	0.3
59.01377	10.1
61.98807	0.6
65.03963	6.6
69.76979	0.4
71.01406	0.3
71.15887	0.3
73.02934	0.8
79.95737	0.8
81.03445	0.6
85.02914	0.4
93.03403	0.4
106.04225	1.1
107.05029	4.2
108.02164	5.3
109.02946	3.4
121.03001	0.4
122.03736	0.4
150.03232	0.5
158.71008	0.3
161.04547	0.9
163.03998	0.6
168.81979	0.3
177.12819	2.4
178.98509	1.1
179.10762	9.5
185.55875	0.4
220.99521	0.9
221.11815	100.0
222.12149	2.1
228.12518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1544
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01379	2.1
61.82444	0.1
61.98822	0.1
69.09576	0.3
69.09978	0.1
71.01366	0.1
73.02940	0.1
95.03599	0.1
103.70218	0.1
113.02349	0.1
118.83437	0.1
127.07682	0.4
129.95729	0.1
148.05293	0.4
149.05983	0.3
151.07672	0.1
161.04665	0.2
162.83908	0.2
162.91136	0.1
164.08418	2.0
165.09131	0.2
178.98549	0.3
202.88589	0.1
205.12341	1.3
206.12701	0.8
207.13924	0.5
220.14694	3.2
220.99591	0.3
221.15442	100.0
221.84251	0.2
222.15782	2.8
235.13347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
57.03447	16.1
58.61124	1.5
59.01373	16.0
70.57800	2.0
71.01383	17.3
72.99304	25.6
73.02934	4.6
75.00874	12.3
78.95872	2.3
80.63617	1.7
81.03452	9.6
83.01388	10.4
84.02137	1.8
84.70909	1.6
85.02952	92.5
87.00883	8.6
91.02289	1.8
97.02970	1.7
99.00869	23.1
101.02451	8.7
103.00365	2.1
104.71091	1.5
107.05016	2.6
110.96603	1.7
111.00877	37.3
112.98797	13.7
113.02446	4.7
117.01962	3.2
125.02443	36.8
129.01938	65.3
131.03497	2.6
143.03496	6.5
147.03008	21.8
161.04593	4.5
165.04054	2.8
179.07191	1.6
187.02481	2.5
191.02000	2.9
193.01509	1.8
205.03537	58.8
223.04593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34338	1.9
55.01886	3.7
55.73494	1.9
57.03450	9.0
58.85522	1.7
59.01371	7.0
66.15777	2.1
70.31303	3.8
71.01374	8.5
72.99307	26.2
75.00862	8.4
78.95905	5.2
81.03450	11.4
83.01369	3.1
85.02948	56.7
87.00873	12.1
92.95936	2.4
97.02934	2.2
99.00900	17.2
101.02452	4.2
105.01935	5.8
111.00905	15.3
113.02436	3.8
117.01954	5.0
125.02444	42.3
129.01935	59.1
131.72411	2.1
143.03510	5.2
144.95505	11.6
147.02991	25.0
162.79410	1.9
165.04004	20.4
169.01491	2.1
174.96492	11.0
204.97562	3.1
205.03526	42.9
222.98665	5.8
223.04585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
57.03423	0.7
59.01381	4.4
61.98816	0.6
69.62238	0.5
81.21395	0.5
85.02943	1.5
89.22491	0.5
95.01386	0.8
96.02206	0.7
97.02946	0.9
105.07123	0.8
107.04998	0.5
108.02160	1.3
109.02962	2.5
109.06577	4.9
110.00066	0.7
110.03732	0.9
121.02969	0.7
122.03736	2.1
122.68227	0.6
123.00885	1.4
123.04524	0.7
123.08128	1.1
124.01652	11.7
125.02469	4.2
128.53062	0.6
130.78189	0.5
133.06563	1.4
135.04538	1.2
135.08173	1.1
136.05304	1.3
137.02438	14.2
137.06078	3.1
138.03229	22.3
141.01683	0.6
146.03738	1.2
149.02454	0.7
150.03214	2.3
151.03993	2.1
151.07657	3.8
152.01155	2.1
152.07150	0.5
153.01886	0.6
156.88281	0.5
161.06071	5.9
163.04010	3.6
164.04803	4.0
173.26547	0.5
178.06273	0.6
179.07129	100.0
180.07462	1.9
193.01395	2.0
195.07712	0.7
208.03722	1.6
219.29097	0.7
223.02614	1.8
223.05840	6.2
223.07622	0.8
223.09718	1.0
224.06961	1.3
242.52502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0974
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
57.03445	1.1
59.01380	3.5
59.53738	0.4
61.98825	6.5
63.02420	0.3
65.00326	1.8
67.01868	0.3
69.96333	0.7
69.96658	0.4
81.03454	16.9
83.01386	1.7
97.06586	0.5
107.01391	1.5
113.09721	1.4
115.07637	1.2
119.70767	0.4
121.02985	0.3
122.03728	3.6
123.04549	0.4
125.02444	6.7
135.00903	0.4
137.09718	6.6
139.07646	8.4
141.01675	0.4
141.37518	0.4
148.01715	0.4
151.00403	2.9
151.03987	1.2
155.10814	0.4
162.03252	0.4
166.06367	1.0
167.14397	1.6
179.10764	62.9
180.11090	1.2
180.94189	0.5
192.77756	0.4
193.01328	0.7
205.08694	1.6
207.99969	0.5
208.03754	1.0
222.95230	0.8
223.09740	100.0
223.13359	8.7
224.10081	2.4
232.47241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0975
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
55.62005	0.3
59.01371	0.9
63.75005	0.3
67.01822	0.3
67.05529	6.5
70.28630	0.7
77.93155	0.3
98.03754	0.4
99.04510	0.6
110.96991	0.3
111.04540	0.6
119.04984	0.3
119.64291	0.3
124.05290	5.6
133.10208	1.0
135.11792	5.5
137.09756	0.3
161.09685	2.4
179.10768	100.0
180.11067	1.4
181.08658	0.6
205.08862	0.4
223.09752	5.8
223.13245	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	223.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	57.8
59.01368	3.4
69.03445	2.4
69.31502	5.1
71.01383	3.2
71.05031	1.4
71.42209	0.9
71.93885	0.9
73.02936	15.0
81.03465	1.1
83.05011	5.0
85.02943	2.0
85.06596	2.5
88.97594	1.0
90.42853	0.9
95.05027	1.8
97.06605	1.1
99.04556	2.7
107.05000	1.5
109.02988	1.1
109.06578	2.5
113.06079	33.2
121.02966	3.7
121.06631	2.2
123.08152	6.3
125.06059	3.0
125.09732	2.2
135.08180	6.2
137.06084	4.4
137.08714	1.7
137.09711	22.7
139.07645	4.8
141.09178	1.9
147.08128	2.4
149.06068	2.3
149.09671	2.0
151.07625	1.9
151.11281	7.5
153.09193	42.0
154.09448	0.9
161.09724	3.4
163.11281	13.8
165.09195	32.3
175.07664	6.5
176.08395	1.2
177.12820	2.2
178.09999	1.7
179.10843	2.5
181.12250	2.3
185.09612	1.1
187.11270	21.6
189.09309	2.0
190.09978	3.2
193.12315	9.7
195.13885	3.8
205.12312	46.0
206.12592	1.6
208.11017	13.4
223.13374	100.0
224.13666	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	223.1338
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.61725	0.7
54.88528	0.6
57.03430	1.4
59.01383	6.1
64.51605	0.7
64.61156	0.7
65.08659	0.6
65.27060	0.7
69.03456	7.5
70.97771	1.1
71.05013	2.1
83.05023	1.3
85.06605	1.2
96.96002	1.4
97.87037	0.7
107.01366	1.0
109.06549	1.5
125.09664	0.8
127.83643	0.8
135.11797	1.1
136.48138	0.7
141.01709	0.8
141.09253	1.3
141.18126	0.6
149.09727	1.6
149.88501	0.8
151.04005	0.7
161.13310	0.9
166.06310	1.1
167.10771	8.4
177.12883	1.6
179.10774	3.9
179.14404	8.0
195.13892	29.8
196.14156	0.8
205.12335	20.0
206.12677	0.7
223.02771	1.7
223.13387	100.0
224.13777	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	224.0565
Annotation	4-Amino-4-deoxychorismate
Peak:m/z	Relative Intensity
52.09272	0.5
52.51313	0.4
59.01369	0.8
60.49023	0.5
66.03483	10.0
68.99813	4.6
69.54566	1.1
90.03484	4.8
91.36121	0.4
92.05068	6.2
95.05043	0.7
96.99302	2.4
97.06619	0.7
98.22630	1.1
105.51928	0.4
106.02988	2.2
108.04554	38.4
136.04047	16.4
137.99593	1.1
164.03532	100.0
165.03920	0.9
181.05141	1.0
182.15678	0.5
197.04488	0.6
224.05637	57.3
225.04033	5.1
225.06033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0404
Annotation	Prephenic acid
Peak:m/z	Relative Intensity
56.54539	0.5
59.01378	4.9
65.03957	0.8
67.01885	0.6
69.03447	1.4
71.01382	1.3
71.42550	0.5
71.43002	0.5
81.03442	1.8
82.02972	4.0
83.01385	1.3
91.05524	1.6
91.85863	0.5
93.03447	2.1
95.01328	0.6
95.05022	11.9
96.95999	1.0
97.06581	13.0
99.00851	0.7
101.03950	1.1
107.05011	2.7
108.02164	2.3
109.02956	5.2
109.06626	2.6
110.00060	1.2
111.00871	1.1
111.04475	0.6
119.05001	2.1
119.65672	0.5
120.18972	0.5
121.02974	1.2
121.68831	0.6
122.03768	1.4
123.00870	2.6
123.04494	1.4
124.01635	3.7
125.02446	2.9
125.06042	1.0
127.00353	2.0
135.04546	2.8
135.08160	1.1
137.02412	2.0
137.06090	3.4
137.99582	19.4
138.03227	1.7
139.04016	1.1
139.07616	0.6
140.01134	2.5
144.06706	0.6
145.08557	0.6
149.02261	0.7
151.00330	0.7
151.03957	2.0
152.01131	3.3
153.01924	6.4
153.05573	3.7
153.09180	1.0
161.02403	0.9
163.04002	13.6
163.07639	7.0
165.01932	1.4
165.03905	0.6
166.02725	0.9
167.03465	1.5
177.01921	4.6
179.03506	4.4
179.07140	1.0
181.01404	1.1
181.05054	15.0
181.08545	1.7
181.09979	3.1
189.01929	1.2
195.02975	1.6
197.04535	16.2
207.02946	6.2
207.06567	3.2
210.05315	1.0
213.58679	0.6
225.04030	100.0
225.07687	10.6
226.04353	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	225.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05272	0.4
54.45131	0.5
54.88216	0.4
57.03437	1.4
59.01375	3.0
69.03468	1.0
69.67726	1.6
69.68072	0.4
80.02694	0.6
81.03452	1.5
83.01401	1.6
83.05038	2.0
85.02966	0.6
93.03457	2.2
95.01400	1.5
96.02184	1.1
97.02940	2.5
97.06589	1.1
98.21970	1.0
101.06116	0.5
107.05022	2.0
107.08633	0.7
108.02197	2.3
109.02980	1.6
109.06588	1.6
110.00082	0.7
110.03746	1.6
111.08189	0.9
119.05008	0.6
121.02969	4.4
121.06532	2.1
122.03742	10.7
123.00872	2.1
123.04508	1.6
124.01661	28.4
125.02451	1.7
125.09715	1.6
133.06595	1.4
134.03749	2.5
135.04529	2.0
135.08157	8.8
136.01576	1.0
137.02455	3.4
137.06044	4.7
137.09726	1.8
138.03232	6.4
139.07645	3.2
145.06584	2.0
147.04434	0.5
148.05275	0.8
149.06078	0.5
151.04016	1.2
151.07649	0.9
152.01199	0.8
153.05667	0.5
153.09204	6.1
161.06061	1.6
162.06827	1.2
163.07646	70.7
164.07994	1.4
164.16505	0.5
165.05566	1.8
166.02724	3.4
177.05524	0.5
179.07138	7.3
180.07831	1.4
181.05080	1.3
181.08711	24.8
182.09035	0.6
183.06592	1.8
189.05560	0.6
195.06519	0.7
197.08154	3.0
207.06622	40.3
208.06950	0.5
225.07674	100.0
225.11316	3.7
226.08018	2.1
228.56342	0.5
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
52.90788	0.3
57.03443	0.4
59.01378	4.4
61.08303	0.3
62.84859	0.3
65.00311	0.4
66.23389	0.3
66.89314	0.3
69.03460	0.4
70.66825	0.6
71.05022	0.7
80.02665	0.4
81.03456	0.8
83.01413	0.3
83.05022	0.8
86.97701	0.3
89.37492	0.3
93.03460	1.0
95.05045	0.4
97.02953	9.2
97.06553	0.3
99.00874	3.6
108.09325	0.3
108.13403	0.3
109.06588	5.3
110.03739	6.1
110.35411	0.3
117.08987	0.3
121.06609	0.6
123.04539	0.5
125.09718	1.1
135.08150	1.5
136.05301	2.0
137.02411	0.7
137.09779	0.5
142.02676	2.1
145.10201	0.4
153.05670	0.3
153.12811	0.6
161.09694	1.1
163.11295	11.5
163.12666	0.6
165.01886	0.6
179.10782	1.0
181.12341	27.6
182.12671	0.7
183.10254	2.1
189.09209	0.8
197.11823	1.8
207.10255	68.8
208.10519	1.6
225.11316	100.0
226.11624	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84478	0.6
52.27490	0.6
52.40649	0.6
59.01373	8.4
69.03439	0.6
69.18351	3.1
69.32895	0.6
71.05032	0.8
74.72091	0.6
80.02666	1.3
81.03448	4.4
83.04996	2.2
84.02156	2.3
93.03429	1.7
95.04993	1.1
97.02943	9.4
97.06561	0.6
99.00875	1.2
107.05013	0.8
109.02896	1.0
109.06586	30.5
110.03729	7.1
111.04474	0.9
121.06628	1.3
123.04542	0.8
125.09692	1.1
135.08186	4.6
136.05281	2.0
137.02417	0.9
142.02768	3.0
153.01978	0.7
161.09695	1.9
162.09653	0.6
163.11272	22.2
179.10797	1.0
181.01529	0.7
181.12331	15.2
183.10310	0.7
189.09206	1.0
195.06314	0.6
197.11894	0.8
207.10243	84.1
208.10544	1.4
224.90504	0.9
225.11307	100.0
226.11696	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	225.113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91269	0.5
59.01371	1.9
60.05630	0.5
63.16103	0.5
64.98572	0.6
68.17925	0.5
69.24602	2.7
73.02943	7.8
75.39976	0.5
93.03462	0.6
95.05021	2.4
95.25273	0.5
99.04511	4.1
99.97449	0.5
109.06603	0.8
111.88779	0.6
139.11281	1.2
157.06992	0.6
162.50844	0.5
162.59290	0.6
163.11273	7.6
173.37144	0.7
181.12329	100.0
182.12650	2.0
183.10284	1.4
197.35110	0.6
207.10204	2.9
225.11302	44.2
226.11662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Cladospolide D
Peak:m/z	Relative Intensity
54.13279	0.7
59.01370	1.9
61.94548	0.7
61.98822	1.9
65.08167	0.7
67.65741	0.6
70.44952	0.8
70.45272	0.7
71.64282	0.6
83.05015	1.2
84.02177	1.1
93.03457	1.2
95.05058	0.8
96.99303	1.5
97.02943	1.3
99.00850	0.8
102.65463	0.6
109.02937	0.9
109.06580	4.5
117.18333	0.7
124.98824	0.7
125.99586	7.6
126.90534	0.9
135.08200	0.9
135.89516	0.7
137.02441	1.2
140.98293	0.7
141.12857	2.3
143.50105	0.6
163.11287	3.7
166.66171	0.9
169.12350	1.6
181.12352	2.5
184.98009	0.7
195.06601	0.9
207.10257	14.7
218.20102	0.7
224.90555	1.8
225.11322	100.0
226.11642	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	(+)-9,10-Dihydro-7-iso-jasmonic acid
Peak:m/z	Relative Intensity
59.01369	9.3
61.98838	25.8
65.00310	3.9
68.99820	7.5
71.14509	4.7
71.32932	4.1
78.84196	4.9
82.70555	3.7
88.01675	3.6
93.03483	8.0
112.01669	7.2
117.89422	3.9
126.90523	7.3
137.02466	5.3
153.01938	4.7
154.31538	3.5
167.14386	5.6
169.15981	37.0
181.15981	9.4
197.15454	100.0
223.88469	3.9
225.11555	6.2
225.14961	89.8
225.92700	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
59.01377	100.0
60.01708	0.4
60.99307	0.4
70.29248	0.1
70.29562	0.2
72.94417	0.1
81.03478	0.1
95.05038	0.2
98.21865	0.2
103.53183	0.1
109.06618	0.2
111.16672	0.2
163.11229	0.3
165.12851	0.2
179.14352	0.2
180.05840	0.2
207.10249	0.6
210.19049	0.1
213.17847	0.1
225.05679	0.8
225.11295	1.3
225.14951	25.1
226.15237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0197
Annotation	Isochorismate
Peak:m/z	Relative Intensity
53.30193	0.8
57.03436	1.1
58.57631	0.7
59.01386	5.0
59.01643	0.9
69.03453	15.3
71.01383	2.4
71.43824	1.1
77.03963	1.3
83.01389	1.9
83.05026	1.2
85.02956	1.2
93.03452	3.4
95.01401	2.0
95.05027	28.5
97.02946	7.6
97.06577	1.7
99.00879	3.4
101.02439	1.1
109.02942	1.0
111.00878	43.2
111.04514	9.9
111.05228	1.3
112.98805	3.3
113.02424	1.7
121.02941	9.7
122.03700	0.9
123.00880	24.2
124.01659	20.2
125.06081	1.2
127.03913	0.8
129.01826	0.9
137.02441	4.9
139.04007	100.0
139.07622	1.9
140.04361	2.4
142.99860	1.0
155.10759	1.1
165.01920	37.1
165.09195	1.9
168.00616	1.0
183.02974	54.3
183.10219	2.3
184.03346	1.1
194.99358	1.8
209.08177	3.7
227.01953	63.2
227.05615	3.9
227.09227	10.0
227.20198	4.9
228.02354	0.8
242.86588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0925
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
50.91995	0.2
54.88533	0.2
57.03443	0.4
57.94204	0.2
59.01371	0.3
60.10050	0.2
64.94205	0.2
68.02689	0.3
71.01374	0.5
71.06415	0.4
73.02946	0.2
74.07389	0.2
82.50008	0.2
97.06588	0.4
98.43562	0.2
99.00881	6.9
111.00867	0.4
111.04521	0.3
112.01666	9.6
112.98783	0.6
123.08157	0.5
125.02464	0.3
125.09713	1.1
137.09750	0.4
138.03218	0.9
139.11414	0.2
144.00638	1.4
151.07603	0.4
155.10791	1.3
157.27119	0.2
163.51900	0.2
165.09215	1.9
171.10269	0.8
181.08688	0.6
183.10252	4.4
199.09735	0.3
209.08182	41.7
210.08537	1.0
227.09244	100.0
228.09621	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	227.0924
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
50.48914	0.6
59.01397	2.4
67.01910	0.9
69.03481	2.3
69.52589	0.7
71.01406	2.5
71.05013	1.2
72.99304	12.5
81.07089	27.7
82.41914	0.8
83.05056	1.5
84.02187	1.1
99.00884	0.9
110.03751	1.6
111.04529	1.2
112.01666	1.2
113.02432	1.0
119.08688	1.6
121.10249	3.4
126.03219	0.8
135.08221	0.8
137.09709	17.0
139.11220	1.9
143.04999	0.8
147.08128	2.0
165.09186	17.4
183.10246	100.0
184.10684	1.9
185.06056	1.6
200.03261	0.8
209.06364	0.9
209.08200	11.9
227.07133	6.6
227.09212	55.7
227.16505	1.1
227.20070	2.6
228.09575	1.5
230.41676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0925
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
54.09075	1.0
55.01870	1.4
57.03449	15.7
59.01369	1.9
65.98970	0.9
67.95937	0.9
69.71827	3.7
71.01376	1.5
71.05018	1.0
79.44068	1.1
83.04999	2.7
84.25111	1.0
85.01102	0.8
85.02963	1.1
85.81493	0.9
89.27037	1.1
95.05001	1.0
109.06576	2.5
121.54040	1.0
137.09712	4.6
139.11287	18.4
155.10770	76.1
156.11099	1.3
165.09195	6.5
169.14499	1.0
183.10249	100.0
184.10567	2.5
188.71582	1.1
210.38722	1.2
219.02876	1.2
227.09236	92.2
227.20189	2.3
228.09590	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	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.75393	0.3
57.03437	0.7
59.01363	1.1
66.52771	0.5
69.03430	0.4
69.42086	1.2
71.01371	0.4
71.05005	0.5
80.02679	2.1
81.03461	1.1
83.01391	0.6
83.05025	7.0
84.02168	3.5
95.05026	1.0
97.06578	0.4
99.00874	1.5
99.51448	0.3
109.06635	0.6
111.04481	0.5
111.08150	0.4
112.01627	0.5
112.98769	0.7
123.08152	0.5
125.06090	0.9
125.09703	0.4
134.06482	0.3
135.08157	0.9
139.72769	0.3
142.27718	0.3
147.11845	0.5
153.12813	0.4
155.10732	0.4
163.11284	5.9
165.09181	0.8
165.12854	3.6
167.07150	0.4
173.00986	0.3
181.12312	1.0
183.10251	1.1
183.13969	0.5
184.74594	0.3
191.10786	1.6
200.15196	0.3
201.49010	0.3
207.19122	0.4
209.08310	2.4
209.11821	100.0
210.12202	2.2
211.00513	0.3
220.47478	0.3
227.03603	0.7
227.09245	8.2
227.12825	5.4
227.16460	0.6
227.20175	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	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.4
59.01363	0.7
60.15431	0.3
64.00916	0.2
70.80128	0.4
71.05012	0.7
73.53931	0.2
80.02674	1.6
81.03447	1.5
83.01365	0.6
83.05018	6.7
84.02154	4.4
94.98007	0.3
95.05020	1.1
97.06562	0.4
109.47772	0.3
111.04546	0.4
125.06049	0.7
125.09730	0.6
135.08144	0.8
139.11305	0.5
147.11745	0.3
163.11273	4.9
163.97212	0.3
165.12836	4.1
169.12308	0.5
171.13824	0.3
178.41316	0.3
181.12279	1.2
191.10753	1.6
197.11696	0.3
199.13391	2.9
209.11812	100.0
210.12166	2.8
227.07063	1.1
227.09216	0.7
227.12874	6.7
227.16483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.63143	0.3
52.67772	0.3
55.01870	0.5
57.01550	0.4
68.05564	0.4
69.93094	1.0
71.05003	0.7
80.02676	2.2
81.03455	1.7
83.04553	0.7
83.05019	6.4
84.02162	3.8
95.05015	1.0
98.21912	0.7
100.12510	0.4
109.06593	0.5
125.06024	0.6
125.09739	0.5
135.08157	0.8
135.94664	0.4
163.11290	5.6
165.12848	3.5
181.12332	0.8
186.18263	0.3
191.10675	1.4
192.36728	0.4
199.13391	0.8
202.71864	0.3
209.11812	100.0
210.12201	1.9
211.33121	0.4
227.12865	4.1
227.16461	0.6
245.19522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
69.31377	10.4
74.66902	2.3
82.85079	2.0
84.04803	2.5
87.03400	1.9
93.46346	2.4
95.01405	2.0
99.00884	3.6
99.95967	2.4
111.00906	2.5
111.04536	3.1
111.08127	2.9
112.98798	4.2
139.11264	2.6
165.12836	22.6
169.74123	2.1
183.13895	100.0
183.15540	5.0
184.14127	3.0
207.83786	2.6
227.12872	22.8
227.16396	3.0
227.20145	5.8
229.78526	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	227.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01078	0.7
54.33688	0.5
54.90029	0.4
57.26676	0.4
57.48598	0.4
58.00568	0.5
58.17454	0.5
59.01335	0.7
64.51283	0.4
68.99761	0.4
69.03415	0.6
69.91270	0.8
69.91582	0.7
71.01359	0.6
73.02923	0.8
80.02676	3.2
80.66212	0.4
81.03419	0.6
83.05017	2.2
88.48534	0.4
95.01393	0.6
99.00777	0.5
111.00874	0.6
111.04468	0.7
133.25093	0.4
165.12831	6.1
167.14404	100.0
168.14722	2.1
185.49612	0.4
193.15984	1.9
195.13866	1.9
195.17520	29.3
196.17827	1.0
197.19104	3.7
209.11810	1.8
211.13377	3.8
227.13065	0.7
227.16553	16.6
227.20123	10.9
239.16504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1652
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
69.68927	3.5
72.12611	1.1
84.00459	1.1
95.81199	1.2
98.22570	1.5
111.04501	1.2
125.44125	1.0
127.85349	1.0
195.17523	2.1
199.16998	4.1
201.23471	1.0
227.16516	100.0
228.16859	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	229.0716
Annotation	GEIR-3
Peak:m/z	Relative Intensity
59.01369	2.8
69.03448	1.3
69.45631	2.1
71.01372	2.0
72.99306	19.2
75.00861	1.1
85.02951	1.8
87.00874	20.3
95.05011	2.3
97.06586	11.6
99.00898	1.2
99.08133	1.1
101.10078	0.7
105.03432	2.1
105.07076	1.4
107.05041	1.2
109.06594	2.6
111.00890	1.2
111.04559	1.1
111.08212	0.8
121.02940	0.9
121.06617	4.3
123.08160	8.1
124.01624	2.3
124.02484	0.8
125.06094	2.1
125.58016	0.8
127.07654	1.7
137.06067	2.9
139.07635	4.6
142.97508	1.1
143.07166	1.1
149.02478	3.9
149.06085	13.4
151.04021	1.2
154.63400	0.8
155.07181	1.4
162.80923	0.7
165.05583	3.9
166.97523	0.8
167.07117	11.2
171.06647	1.2
173.08170	2.9
178.00233	0.7
183.06613	2.6
193.05009	6.6
200.73810	0.8
211.06107	70.3
212.06445	2.1
229.07146	100.0
230.07388	2.3
232.36104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0716
Annotation	GEIR-3
Peak:m/z	Relative Intensity
58.00578	0.8
59.01375	3.0
64.50837	0.5
69.03452	1.2
69.58765	1.5
71.01376	1.9
72.99306	19.8
73.02942	2.0
75.00881	0.9
80.60130	0.5
85.02941	1.3
87.00331	0.7
87.00871	14.4
94.06996	0.5
95.05029	2.6
97.06586	10.5
99.00895	0.7
99.08138	1.2
101.11684	0.7
105.07104	1.5
107.05035	2.0
109.06584	2.8
111.00871	0.9
111.04523	0.8
111.08118	0.7
113.02475	0.9
113.03503	0.5
119.05018	0.7
121.02928	0.7
121.06575	3.6
123.00895	1.2
123.04550	0.9
123.08162	8.3
124.01650	1.8
125.06051	1.3
127.07674	1.5
137.02420	0.6
137.06097	2.9
139.07648	4.5
142.21762	0.5
142.94083	0.5
149.06068	14.3
151.04044	0.7
153.05574	0.8
155.07101	1.6
165.05562	2.5
167.07141	12.2
171.06604	2.4
173.08211	3.3
183.06628	2.7
193.05031	5.7
202.29543	0.6
211.06108	64.0
212.06468	1.3
229.07144	100.0
230.07532	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	229.0716
Annotation	GEIR-3
Peak:m/z	Relative Intensity
51.49506	0.8
51.67235	0.8
59.01368	2.8
65.76105	0.9
69.47344	2.7
69.47751	1.6
71.01361	1.4
72.99304	2.6
83.04998	1.0
84.02176	0.9
87.00881	3.3
95.05018	2.7
96.96021	3.7
97.01155	1.1
97.02938	0.9
97.06588	9.3
99.00887	12.2
99.92540	0.9
107.05069	1.2
109.06573	2.5
111.04534	1.2
112.01650	6.6
112.98870	1.2
121.06577	1.0
123.08142	4.0
125.02442	17.6
125.06077	2.3
127.07652	1.9
130.08728	4.4
137.02448	0.8
137.06105	9.6
139.07735	1.4
141.01913	1.3
148.50746	0.9
149.06052	3.0
153.05560	2.9
155.07144	31.7
157.08655	1.2
159.06593	1.2
167.07132	7.8
169.05093	1.1
181.05066	17.4
185.08182	2.1
185.16591	3.8
193.05072	1.3
199.06119	50.4
211.06123	22.0
229.00217	3.4
229.02489	2.9
229.07166	100.0
229.10509	9.5
229.15561	11.2
230.07520	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	229.0716
Annotation	GEIR-3
Peak:m/z	Relative Intensity
51.61396	0.7
59.01375	3.3
69.03451	1.7
70.50742	0.8
71.98741	0.6
83.05023	0.8
90.24486	0.7
91.76366	0.6
98.21950	0.6
99.00877	5.8
111.04491	1.0
121.06581	2.4
123.08165	28.6
131.10927	0.8
139.07632	0.8
141.09221	100.0
142.09497	1.2
148.12589	0.7
151.03905	1.0
167.07133	11.4
185.08197	22.3
211.06117	48.3
212.06491	1.6
221.37646	0.7
229.07166	34.7
238.51735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.23206	0.8
67.85787	0.7
69.03465	1.9
69.26172	3.7
71.01402	0.8
83.05014	0.9
98.21914	1.1
99.00871	5.3
109.60072	0.7
111.04531	1.8
121.06606	3.5
123.08159	30.6
124.80500	0.8
139.07646	0.9
141.09215	100.0
151.04044	1.2
167.07126	9.3
185.08186	22.8
211.06116	49.3
229.07152	34.3
229.10768	1.7
230.46422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88547	0.5
57.03455	0.7
58.00586	1.1
59.01383	3.5
65.96878	0.6
69.03455	1.2
69.40140	0.6
71.01377	3.6
71.06129	0.8
72.99304	16.6
73.02935	1.2
75.00856	1.1
81.03461	0.6
83.05022	1.8
84.82145	0.6
85.02941	1.9
87.00874	13.7
93.03426	1.0
95.05030	2.7
96.04550	1.3
96.96019	1.4
97.06582	8.8
99.00878	1.2
99.08152	1.1
105.07098	1.0
107.05025	1.6
108.02149	0.9
108.04543	1.2
109.02925	0.8
109.06608	3.5
111.04509	1.7
111.08145	1.5
113.02493	0.7
113.06081	2.6
114.00172	2.3
120.41515	0.6
121.02912	0.7
121.06593	6.2
123.04544	1.2
123.08150	8.4
124.01662	3.2
125.06075	3.2
126.03214	1.4
127.07647	1.8
131.05055	0.7
137.06067	2.5
139.04042	1.0
139.07654	5.6
142.03365	3.4
147.04497	0.7
149.06082	18.5
151.04044	0.7
153.05460	0.7
155.07152	2.0
157.05125	0.9
165.05617	3.0
167.07126	15.2
171.06618	2.1
173.08215	1.7
183.06596	2.9
185.08157	1.6
186.02324	1.5
188.00368	0.7
193.05061	10.4
199.06070	1.1
211.06104	60.3
212.06538	1.7
223.05539	0.7
229.00175	1.8
229.07147	100.0
230.01305	3.4
230.07492	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	229.108
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
57.03456	1.2
58.00588	2.2
59.01381	3.7
70.98582	0.9
73.02940	0.9
83.05009	0.7
92.87463	0.5
97.06595	3.0
99.00883	1.1
123.08147	1.7
125.09718	18.5
127.11295	8.0
139.11258	1.1
141.09215	0.8
155.10800	3.0
157.12320	1.0
165.09184	2.8
167.10757	5.7
169.33556	0.5
171.10303	4.2
183.10249	2.1
199.09744	2.5
201.11316	100.0
202.11694	1.4
211.09744	9.4
229.07237	0.9
229.10802	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.57930	0.4
61.26563	0.4
69.94839	0.4
70.56837	0.4
70.57158	0.6
71.73553	0.3
86.11111	0.4
116.97224	0.4
116.98521	0.4
167.10747	0.5
183.13876	6.4
185.11821	38.5
186.12146	1.1
193.12364	1.6
206.68315	0.5
211.13391	100.0
212.13693	2.8
229.14357	1.0
231.56079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.23416	0.4
59.01377	3.0
61.98803	0.5
70.87441	0.9
103.01479	1.7
123.44724	0.5
141.86748	0.8
167.14359	1.4
167.87122	4.3
170.88383	2.8
185.15463	100.0
186.15814	2.8
229.02635	1.0
229.05055	0.6
229.14452	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1806
Annotation	2-hydroxytridecanoic acid
Peak:m/z	Relative Intensity
52.86595	0.4
54.19977	0.4
55.01866	0.5
59.01368	1.8
67.33370	0.4
69.91948	1.2
71.04337	0.4
72.99299	0.5
93.02010	0.4
98.21944	0.6
103.01500	1.4
116.28996	0.4
116.92809	0.5
131.53963	0.4
155.14412	0.5
167.87096	0.6
181.16003	4.0
183.17531	78.2
184.17857	2.1
197.18152	1.2
211.17047	1.6
229.18076	100.0
230.18437	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	230.0667
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.14394	0.9
59.01339	2.0
66.49878	0.9
69.96114	0.9
69.98882	2.8
70.48077	1.0
72.04534	7.3
72.99313	9.5
79.92495	1.0
82.02982	30.4
82.03445	1.0
83.01380	12.8
84.04540	8.8
84.35025	1.0
84.37150	1.1
85.02885	1.5
86.02413	1.3
87.00838	3.9
88.01205	1.8
96.04488	4.1
97.06511	1.3
98.02469	33.5
98.06889	1.8
98.09380	1.1
99.00846	1.3
100.04000	3.5
102.05599	100.0
108.04549	5.9
112.07629	1.9
114.00190	12.5
114.08530	1.2
114.09235	16.0
124.07611	2.0
124.08453	1.7
126.01910	3.0
127.00236	1.1
128.03474	1.2
132.98117	2.4
140.07095	4.1
142.03319	11.9
142.08688	1.9
150.05354	1.7
150.06354	3.7
168.06604	37.6
169.06818	1.1
184.06027	4.5
186.02133	4.8
186.07690	19.1
188.09160	4.2
188.97125	7.9
194.05264	2.1
208.56274	1.1
212.06087	13.6
230.01361	13.4
230.06674	62.1
231.07007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57423	0.8
59.01376	1.8
61.98821	1.1
65.97887	0.8
66.01049	0.8
69.88786	3.0
71.01366	0.9
72.04549	8.1
72.99309	16.1
73.00408	0.8
82.02985	27.8
83.01390	13.6
84.04536	6.6
85.68037	0.8
86.02496	0.9
87.00843	1.6
92.43382	0.8
94.98151	0.8
98.02478	33.9
98.22588	1.2
99.00885	1.7
100.04037	3.9
102.05610	100.0
103.05929	0.8
107.52447	0.9
108.04565	1.4
111.77369	0.8
112.07719	2.0
114.09254	17.6
124.07678	1.7
126.01974	2.7
128.03574	1.4
130.08749	6.3
132.98195	10.0
140.07187	3.9
142.08723	2.0
148.04410	1.6
150.05585	2.4
151.28873	0.8
168.06662	44.0
184.06097	4.2
186.07727	20.8
188.97185	26.1
210.47505	0.9
212.05635	10.3
230.06680	63.9
230.98157	3.7
231.06898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94618	0.5
55.29974	0.5
56.71752	0.4
59.01376	40.3
63.26638	0.4
69.52362	1.8
73.02938	1.0
94.42500	0.4
96.95997	5.1
97.06568	0.8
109.06580	2.8
113.02444	0.5
123.08157	0.8
127.07647	100.0
128.07973	1.8
139.55972	0.5
143.07140	1.7
146.37491	0.6
150.89987	0.6
169.08757	1.2
169.12329	0.8
171.06647	11.8
171.10234	0.8
187.09821	0.7
189.07669	11.4
213.11459	0.8
231.03241	2.7
231.06688	0.8
231.08698	3.8
231.12297	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	231.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69582	0.5
59.01380	39.1
63.14407	0.4
69.43745	1.5
71.12592	0.4
73.01587	0.5
82.77066	0.4
96.95996	2.4
109.06569	1.9
124.42304	0.4
127.07652	100.0
128.07977	1.0
129.05591	0.8
143.07103	0.6
171.06635	10.7
171.33948	0.4
189.07738	3.1
206.36061	0.4
231.03297	1.5
231.08745	1.5
231.12314	0.6
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
50.37135	0.4
57.03436	0.5
59.01376	26.9
69.44884	2.3
71.01377	1.7
72.99339	0.6
73.02950	0.7
75.00826	0.6
92.97484	0.7
97.06580	3.3
98.21915	1.1
99.08148	1.7
109.06602	5.5
125.06094	1.5
125.09763	0.7
127.07650	100.0
128.08018	1.4
143.07135	9.9
151.07642	1.1
151.11267	1.1
169.01445	0.8
169.08754	1.8
169.12410	0.9
171.06628	18.8
187.09738	12.5
189.07681	52.7
190.08029	0.9
195.10271	1.7
195.23509	0.5
213.11316	1.4
230.54500	0.5
231.03145	0.5
231.08775	8.4
231.12366	7.5
232.02925	0.6
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
50.03396	0.6
57.03450	3.9
59.01374	6.0
63.16645	0.6
63.34530	0.6
66.96915	0.6
69.03450	0.8
69.37807	1.2
69.38201	1.8
83.05037	0.7
84.63788	0.7
84.71747	0.5
95.05019	0.7
97.06590	14.5
123.08163	6.6
125.09723	100.0
126.10082	1.7
129.72755	0.6
143.10802	1.7
151.11496	0.6
167.92485	0.6
169.08687	3.3
169.12325	6.7
171.10263	16.8
172.10536	0.6
174.72392	0.6
178.76538	0.6
187.09756	97.2
188.10139	2.2
213.07724	1.2
213.11317	1.6
231.08749	2.7
231.12363	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	231.1237
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
57.58234	0.4
59.01376	1.7
69.60690	0.3
71.01376	0.4
72.99284	0.7
78.44998	0.4
97.06576	0.4
125.02386	0.4
125.09759	0.7
127.07680	0.8
139.11324	0.5
140.25040	0.4
141.12851	1.2
151.11287	4.0
166.24153	0.4
167.10715	0.6
169.12344	31.0
170.12766	0.7
171.10225	0.7
185.11838	39.1
186.12247	0.7
187.09720	0.4
213.11279	5.5
231.12364	100.0
232.12659	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	232.9627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	44.1
64.87897	0.6
70.56671	1.0
73.88647	0.6
75.00872	3.1
80.91700	2.0
85.00453	1.5
86.00584	0.6
87.92517	5.4
94.92710	0.6
96.96021	0.8
98.94136	1.4
100.03813	0.6
101.92840	2.7
103.92024	2.5
104.92809	1.0
105.93597	1.3
120.02219	0.7
126.93613	1.9
128.95193	100.0
129.92319	4.7
129.93462	0.9
130.93121	2.5
130.94368	9.6
131.93893	3.0
144.89021	0.8
145.86220	1.7
145.96719	3.4
147.94643	5.4
148.94170	16.1
148.95320	1.5
161.85861	0.7
165.95686	5.1
171.86533	10.7
172.88116	0.9
172.90479	2.6
172.94150	23.7
172.97641	1.2
174.90012	1.7
182.78793	0.7
188.98546	4.3
189.95631	2.4
190.95224	67.1
190.98795	2.1
191.95427	1.0
207.96733	4.4
215.07146	2.0
217.85840	0.8
232.77278	1.0
232.96159	2.5
232.97784	1.7
233.15448	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42751	2.2
57.03444	8.7
59.01377	93.1
67.01900	6.6
70.43919	4.8
71.01379	38.7
72.99303	12.9
73.02934	8.3
78.95898	19.6
80.86880	2.2
83.01389	7.9
85.02953	7.5
87.00858	2.7
93.03453	4.0
96.96013	40.8
96.96947	34.3
98.10989	2.0
99.00875	40.1
99.92565	6.9
100.93357	10.4
109.02952	13.8
109.06581	13.7
111.00888	14.6
115.00389	2.7
115.91346	3.4
115.92067	19.9
116.92844	8.3
118.05125	3.2
129.01945	15.9
131.08258	5.8
133.01424	4.2
145.00870	29.0
153.01941	24.2
171.06618	6.7
173.00925	4.6
173.04549	8.0
173.06046	3.1
188.99893	23.1
215.07153	10.4
219.91125	2.5
232.99144	20.8
233.06514	3.6
233.10320	8.1
233.15445	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	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03445	6.6
59.01378	100.0
62.06877	0.8
65.41507	0.7
67.01883	2.4
70.16145	0.8
71.01381	22.8
72.16451	0.8
72.99311	4.2
73.02942	6.9
74.56035	0.9
74.56485	0.7
75.00867	0.9
83.01385	5.6
83.05004	0.9
84.43703	0.8
85.02959	4.6
87.00886	2.8
93.03476	1.0
96.96016	1.4
99.00879	32.4
101.02447	1.1
109.06588	2.3
111.00882	9.3
111.04529	1.1
115.00378	0.9
123.43027	0.7
127.07650	1.1
129.01945	15.9
135.04523	1.1
138.93822	0.7
159.29584	0.7
160.75427	0.8
171.06685	1.7
173.00954	2.9
173.04573	1.6
173.08147	0.9
181.38951	0.8
188.98514	5.6
204.17055	0.9
215.07172	2.0
215.09178	1.6
232.97252	4.1
233.06662	2.5
233.10260	5.4
233.15430	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	233.0454
Annotation	HOHPDA
Peak:m/z	Relative Intensity
54.14452	0.3
55.01869	2.9
55.04753	0.2
57.62316	0.2
57.81341	0.2
59.01382	3.6
65.03965	0.6
71.45277	0.2
77.03976	0.5
81.03470	0.3
89.03970	0.2
91.05535	0.8
93.03466	0.3
95.05027	1.3
99.27280	0.2
102.04745	2.4
103.05546	0.4
103.28786	0.2
105.03458	3.3
105.07110	0.8
106.04251	0.4
107.05033	0.5
115.05521	2.3
115.23795	0.2
117.03444	0.6
117.07100	11.7
118.04211	0.6
119.05057	1.1
121.02950	0.5
121.06622	0.5
130.04247	11.2
131.05066	1.5
132.02177	1.6
132.05856	0.3
133.02962	4.0
133.06593	13.8
134.06902	0.3
135.04520	2.3
137.06100	0.9
142.53116	0.2
143.05022	6.2
144.05824	1.8
145.02971	2.0
145.06589	19.3
146.03735	19.4
147.04567	2.0
148.01689	0.5
149.02472	0.4
149.06052	0.3
151.07635	0.4
158.03799	0.4
159.04517	10.2
160.05295	24.3
161.06078	48.0
162.03177	1.2
162.06407	1.0
163.04013	0.9
171.04495	0.8
172.05312	0.5
173.02448	1.4
174.03214	13.0
175.03983	2.8
175.94643	0.3
177.05547	0.9
187.04053	1.4
188.04796	3.5
189.05560	65.7
190.02771	2.1
190.05893	1.5
191.03470	0.9
203.03493	2.2
204.04243	2.7
205.05040	26.9
206.05391	0.7
215.07091	0.4
218.50002	0.2
233.04536	100.0
233.15434	5.2
234.04863	2.1
239.76596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
57.69194	0.5
59.01377	100.0
60.01722	0.6
67.01886	0.9
69.58612	0.7
71.01368	4.8
71.05033	2.4
72.99305	38.9
73.02944	1.7
75.00880	2.7
78.95902	1.3
81.03454	1.3
83.01379	1.3
83.05033	1.0
85.01205	0.7
85.02955	1.3
86.03729	0.7
87.00887	2.7
87.04534	2.8
89.82899	0.5
91.05508	0.6
93.03473	2.2
96.96021	1.0
97.06635	0.7
99.00876	2.8
99.04519	4.7
99.08166	0.6
101.02454	0.5
104.03540	1.1
107.05041	1.4
109.02911	0.8
109.06588	42.4
111.00877	0.6
111.04540	0.6
126.65553	0.5
127.07655	8.9
129.01936	0.9
131.08272	2.9
144.99713	0.6
145.00839	1.3
145.03198	0.8
149.96321	1.6
153.01933	2.0
153.05553	1.1
156.07690	0.6
159.06633	4.8
161.02495	0.7
171.05139	1.0
171.06618	20.0
172.87904	1.2
172.93890	0.5
172.97672	1.2
173.01186	0.6
173.04559	2.2
173.08279	0.8
173.10437	1.7
177.01898	0.7
177.77454	0.5
188.98534	6.1
188.99960	0.8
189.02025	0.5
190.98807	0.9
205.01469	1.0
206.02240	0.7
215.05515	2.3
215.07343	3.5
215.09117	1.1
216.02094	2.6
232.97472	6.7
232.99393	0.7
233.06577	7.0
233.10315	4.2
233.15445	36.1
234.01662	0.7
234.09747	0.8
234.15703	1.3
242.49396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1028
Annotation	ascr#11
Peak:m/z	Relative Intensity
53.87300	0.8
59.01377	31.7
70.04576	0.9
70.04877	1.3
71.01370	1.6
72.99297	1.7
76.84744	0.7
90.62560	0.7
93.03427	0.7
95.05002	1.1
97.06596	6.4
99.08141	2.3
105.03445	1.7
109.06586	11.8
117.03457	1.5
124.01688	1.0
125.09714	13.4
127.07628	7.5
133.02983	3.7
134.03714	0.9
138.03218	1.8
143.07112	6.5
145.02991	0.9
149.02434	1.2
153.09193	6.3
155.07118	1.2
161.02446	12.0
162.03191	5.2
164.01105	1.1
169.08665	4.5
171.10269	31.4
172.10545	1.0
173.08180	68.4
174.08456	0.9
177.01962	6.0
181.08397	0.8
188.98561	1.3
189.01906	2.9
190.02681	6.8
197.08176	3.2
205.01431	12.6
206.02184	10.6
215.09216	25.1
233.00894	3.0
233.10289	100.0
233.15346	12.6
234.01668	21.2
234.10658	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	233.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23790	0.4
55.19391	0.3
59.01376	100.0
60.01711	0.5
60.99305	0.3
66.25294	0.4
70.99835	0.5
75.00874	0.7
78.99023	0.4
85.02997	0.4
89.34828	0.3
93.03481	1.6
95.05034	0.7
105.03476	0.7
109.02970	0.6
109.06597	0.5
111.08163	0.9
113.06082	0.4
121.02996	0.7
124.01644	0.5
125.09740	0.5
127.07683	0.6
133.02975	1.8
138.03238	0.6
144.99548	0.5
145.02945	0.6
153.09227	1.2
155.07092	0.9
157.82060	0.5
161.02449	3.9
161.06096	0.8
162.03191	2.2
171.10245	6.0
173.04541	1.6
173.08171	24.2
174.08578	0.6
177.01918	2.3
188.98534	5.8
189.01952	1.3
189.11414	0.6
190.02754	2.6
191.03470	0.6
191.07112	0.7
197.08151	0.8
205.01393	5.4
205.05225	0.6
206.02190	3.8
215.07169	1.8
215.09256	5.6
232.97539	5.3
233.00952	0.9
233.04640	2.0
233.10307	25.5
233.15433	24.6
234.01677	6.8
234.03934	0.5
234.15883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
59.96735	0.7
70.04624	0.7
74.99068	6.4
75.36189	0.3
91.02207	0.7
93.00142	2.0
96.04179	0.2
97.33309	0.3
118.96257	1.0
120.71957	0.3
130.96602	0.3
134.99388	6.3
136.97298	2.1
141.07404	0.4
143.05334	0.9
149.00954	61.9
150.01006	0.8
150.98877	0.6
159.08475	1.8
161.06390	3.3
175.69604	0.3
201.04095	0.4
209.20972	0.2
215.05609	0.9
215.07359	0.5
217.07199	88.4
218.07336	3.2
233.10329	100.0
233.15312	8.9
234.10513	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	234.1498
Annotation	Huperzine W
Peak:m/z	Relative Intensity
51.88086	0.3
57.80642	0.2
59.01393	0.5
61.25600	0.3
71.44984	0.3
85.00440	0.3
96.52223	0.3
179.07172	0.3
218.11801	1.4
219.12598	1.3
227.47089	0.3
234.14969	100.0
235.15292	2.9
251.11647	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	235.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
57.03429	2.0
58.89597	0.7
59.01379	24.4
59.88252	0.7
61.98821	4.8
69.03455	0.8
70.66479	1.4
71.01375	15.8
71.05013	3.1
72.98943	1.3
72.99307	14.9
73.02941	8.8
73.39022	0.7
75.00854	1.5
81.03460	3.8
83.01361	1.3
83.05022	12.8
85.02950	2.6
87.00855	2.2
93.07084	1.5
94.18240	0.8
96.96017	1.2
97.02944	4.4
98.22617	0.8
98.95559	0.7
99.00857	1.4
99.04508	6.0
101.02435	3.3
101.06070	2.8
107.05019	1.6
109.06583	43.8
110.06927	1.0
111.04531	2.3
111.08160	3.5
113.02466	1.7
115.03994	1.4
127.03996	3.4
127.07626	0.9
136.97479	1.4
137.06076	24.0
145.05061	19.6
153.05562	5.8
155.07135	22.4
157.05026	2.8
161.04581	1.3
171.06616	1.5
173.08128	5.2
181.05061	1.8
192.96405	4.1
199.06123	10.3
217.07162	62.9
218.07465	1.5
234.97420	1.2
235.08211	100.0
236.08530	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	235.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
62.62890	0.2
63.14238	0.3
72.28442	0.3
98.21742	0.4
101.02512	0.3
103.05523	0.3
111.00861	0.6
119.05048	2.2
121.02923	0.4
121.06608	0.4
122.91921	0.3
124.38893	0.3
125.77402	0.3
129.03471	1.1
135.04523	0.4
137.02478	0.6
138.03198	0.3
145.02960	1.3
146.03729	0.4
147.04535	3.3
149.02443	0.6
149.06067	1.2
155.02699	1.3
159.04536	0.4
161.02393	0.6
162.03242	1.2
163.04005	5.3
164.04694	0.6
173.02409	1.9
174.03177	1.7
174.06909	0.3
176.04764	0.4
177.05560	100.0
178.05927	2.2
190.02750	0.5
191.03485	36.1
191.07150	0.9
191.14368	0.3
192.03825	1.0
192.07881	2.0
200.23137	0.3
206.05814	3.7
216.25192	0.3
220.07388	57.7
221.07680	1.4
234.98280	0.8
235.06181	0.6
235.09747	15.3
235.13133	1.5
240.44650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29089	0.3
52.98975	0.3
58.20179	0.3
59.01377	2.4
70.99622	0.4
71.01385	0.3
101.04014	0.4
111.90178	0.3
118.04219	0.5
119.05035	1.9
123.04512	0.4
127.28951	0.3
129.03444	1.0
129.11034	0.3
134.03737	0.3
135.04552	0.4
137.02423	0.7
145.02933	1.2
146.03775	0.7
147.04524	3.1
148.01685	0.4
149.02393	0.8
149.06097	1.2
155.02716	1.7
159.04544	0.4
161.02449	1.1
162.03215	1.3
163.04024	5.2
164.04744	0.8
173.02423	2.2
174.03203	2.1
176.04808	0.7
177.05566	100.0
178.05908	2.8
190.02669	0.4
191.03491	35.1
191.07080	0.8
192.03819	0.7
192.07956	2.1
201.86473	0.3
203.07187	0.3
206.05812	4.9
207.13914	0.4
220.07394	58.0
221.07715	1.2
234.98268	1.1
235.09740	15.7
235.13483	0.9
235.16338	0.4
236.10126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1338
Annotation	2-Methoxy-6-heptyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
55.01873	2.2
58.36005	0.5
59.01363	1.9
61.98808	0.5
65.30921	0.5
70.77775	0.7
79.05530	10.5
79.84622	0.6
108.02148	1.2
120.05796	1.7
121.06592	5.2
122.03751	1.8
123.04515	3.8
123.10902	0.6
133.06615	1.0
136.05388	0.6
160.18816	0.5
179.10742	1.8
191.14406	4.3
207.13853	0.9
235.13374	100.0
236.13705	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87217	0.2
58.95649	0.1
61.98817	0.3
66.38148	0.1
71.06744	0.2
94.92526	0.1
134.03671	0.4
135.04552	0.4
136.05286	0.2
140.05872	0.1
147.12750	0.1
148.05301	7.9
149.06015	0.5
149.09709	1.0
162.06880	0.5
174.90044	0.2
175.07539	0.2
176.08437	0.5
177.09204	40.0
178.09583	1.1
180.07870	0.2
189.09251	0.2
190.09975	1.5
191.10779	0.7
192.11555	27.7
193.11934	1.1
201.09212	0.7
203.07121	0.6
217.08699	2.9
218.09464	7.7
224.10513	0.2
227.47008	0.2
236.10535	100.0
237.10899	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	237.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
59.01386	1.7
67.90140	0.6
70.28110	0.8
71.01402	0.7
71.43433	0.9
72.99297	1.1
75.00869	1.7
85.02959	3.6
87.00876	100.0
101.02408	0.7
104.42506	0.6
129.01947	12.1
129.19127	0.8
141.02042	0.9
147.02983	1.0
164.16487	0.8
171.82100	0.7
237.06120	7.2
246.65401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0615
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03442	1.8
59.01370	1.7
69.55108	1.7
71.01366	1.2
72.99306	2.2
74.93419	0.6
75.00882	1.4
85.02957	4.6
87.00873	100.0
97.02943	0.9
99.00879	1.1
108.90160	0.9
110.92565	0.8
117.01907	1.1
129.01945	13.5
146.51807	0.6
147.03027	2.4
202.07071	0.6
219.05342	0.7
237.06143	7.2
237.99008	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	237.1131
Annotation	Sporothriolide
Peak:m/z	Relative Intensity
54.34304	0.2
59.01374	1.1
61.98809	0.2
67.40903	0.2
69.43626	0.5
69.44030	0.3
87.00874	0.4
94.92506	0.5
95.01385	1.0
96.02168	5.1
103.01602	0.2
108.02142	0.2
111.00878	1.3
116.92860	0.3
123.00881	2.9
124.01658	11.5
128.01167	0.3
130.93385	0.2
139.00389	0.3
139.11259	0.6
140.01118	0.2
140.98717	0.2
151.00362	0.6
152.01146	11.9
153.01811	0.6
165.01930	0.8
165.12856	0.4
166.02705	2.9
179.10898	0.2
180.04269	0.3
184.00116	1.6
195.10327	0.2
209.11812	9.7
210.12163	0.2
219.10294	0.5
236.10466	0.2
237.11304	100.0
238.11627	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	237.1494
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
58.24404	0.6
59.01376	1.3
61.98804	0.9
69.22774	3.7
94.92509	1.8
102.43745	0.7
111.00829	0.7
116.92867	3.1
121.02941	1.0
121.32465	0.6
123.00890	19.0
124.01667	25.8
137.02451	1.2
153.31535	0.5
154.90564	1.2
164.98196	0.9
165.12790	1.2
167.14409	10.7
175.07108	0.7
179.10736	0.8
237.11174	2.7
237.14952	100.0
238.15219	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	239.056
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.18274	0.7
59.01374	42.6
60.45737	0.8
67.44534	0.9
68.35030	0.9
70.66985	2.0
71.01362	1.7
72.99272	1.3
81.03458	1.9
83.01383	1.7
85.02963	2.6
87.00869	13.0
89.31528	0.8
93.03443	2.7
97.02934	1.3
98.59445	0.8
98.71425	0.8
99.00867	1.9
106.04225	1.7
107.05025	26.8
108.02155	1.8
108.08292	1.0
109.02958	0.8
111.00836	1.8
114.71854	0.9
121.02945	5.0
123.04504	2.1
125.02448	2.2
133.06615	12.5
135.04514	3.5
136.80281	0.9
137.06099	0.9
149.06088	31.8
150.03217	1.3
150.06432	1.1
151.04024	2.2
153.00223	1.1
161.04611	4.9
167.03520	5.0
177.05569	38.5
178.05902	1.4
179.03497	59.0
179.05588	26.8
180.03929	1.3
193.05061	1.2
195.06650	7.4
221.04536	3.5
223.02826	2.8
224.03107	0.9
239.05594	100.0
240.06042	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	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21764	2.0
58.74514	1.7
59.01379	100.0
70.55048	2.8
71.01381	11.6
75.42509	1.9
78.95924	3.8
83.87778	1.8
85.02925	8.4
87.00885	17.8
89.02440	9.9
94.71774	1.8
99.00864	4.8
101.02448	2.9
113.02488	2.0
117.01980	3.9
119.03487	1.9
125.02454	2.5
131.03462	1.8
141.01892	3.2
144.97829	1.7
161.04581	14.2
178.95921	2.7
179.05598	70.3
184.75050	1.8
191.60785	2.2
221.06577	3.9
239.07690	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	239.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62096	0.6
59.01377	100.0
69.30780	1.7
69.31161	1.0
81.03458	1.5
83.05074	0.6
85.02953	2.0
87.00906	2.3
95.05037	1.9
96.96031	0.8
97.06596	2.8
98.21897	1.4
109.06580	1.8
133.10255	0.6
135.08150	3.2
141.05594	10.0
151.11293	2.5
159.04543	0.8
161.04553	1.8
177.09213	3.3
179.05629	8.2
179.07120	1.2
195.10258	30.3
196.10611	0.9
221.08241	1.1
223.02821	1.1
239.05522	1.2
239.09251	29.7
239.12949	2.2
246.81403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.36505	0.7
59.01379	1.4
70.45834	1.3
95.05044	1.5
101.06078	7.1
102.78021	1.0
109.06581	4.9
111.08167	5.4
125.09705	0.9
138.06831	2.2
139.02977	1.3
139.03993	12.4
154.06348	32.8
155.06749	0.7
167.14421	13.1
179.05542	1.1
179.10689	3.6
182.05843	3.2
195.13890	100.0
196.14198	3.7
229.10706	0.8
239.12886	8.6
239.16417	1.0
249.33704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.0
59.01376	25.8
65.37239	3.8
70.84182	8.5
71.01385	31.8
72.99317	10.8
75.00877	7.5
78.95899	25.8
83.01391	12.4
85.02937	9.1
87.00889	19.4
89.02417	6.5
96.96962	10.1
99.00872	66.2
111.00909	28.4
111.01546	4.3
112.98812	100.0
115.00360	15.2
115.11784	4.1
117.01951	6.8
125.06071	9.8
129.01918	23.5
142.99858	65.8
145.01413	15.5
153.05569	8.4
165.04080	4.0
173.00916	91.1
174.01286	4.8
202.91786	3.7
205.03528	48.1
208.98599	22.3
240.97588	5.4
241.01274	24.2
241.07005	24.3
245.72566	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	241.0719
Annotation	Tetillapyrone
Peak:m/z	Relative Intensity
57.03438	1.3
59.01384	4.0
61.70604	0.8
65.60141	0.8
66.03474	0.9
69.03442	2.0
69.52682	2.0
71.01019	0.7
71.01345	3.6
72.99277	0.9
78.95868	0.7
81.07083	0.7
83.00319	0.7
83.01399	0.6
83.05001	0.8
85.02935	1.6
89.88626	0.6
95.05042	1.4
97.02939	2.1
97.06578	3.9
99.00859	0.8
99.04559	1.1
107.05000	1.0
107.08678	1.1
108.02182	2.2
109.02961	2.0
109.06581	2.1
110.03712	3.1
113.09734	0.9
114.05621	0.8
117.07106	1.1
123.04525	3.7
123.08156	2.9
124.01656	5.3
125.02448	5.9
125.09721	14.4
133.06592	2.8
135.08153	2.8
136.01637	2.2
137.02441	5.0
137.06062	2.0
138.03224	15.8
139.00322	0.8
143.04970	0.9
150.03258	4.7
151.04173	0.9
151.07642	18.4
153.09192	3.4
159.04474	0.8
161.06068	9.0
163.04086	0.9
164.04747	1.4
169.01385	6.4
169.08765	0.8
170.02171	0.9
179.07130	100.0
180.07452	3.3
195.06679	0.8
197.08278	1.1
223.06105	68.4
224.06473	2.1
241.03473	3.8
241.07170	19.4
241.10789	5.6
241.21663	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	241.087
Annotation	Dunnione
Peak:m/z	Relative Intensity
65.81874	0.4
75.12466	0.4
98.22594	1.2
122.31807	0.4
167.14439	1.1
169.06586	1.8
169.16069	3.2
179.07141	0.6
182.07341	3.6
197.04398	0.6
197.05986	2.8
197.15451	1.1
198.06856	16.5
199.07130	0.5
208.38431	0.4
223.06166	0.7
225.02321	0.5
225.05550	6.9
226.06337	100.0
227.06668	3.5
241.08688	92.5
241.18077	2.2
242.09001	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01854	0.6
56.49743	0.4
57.03441	0.7
58.00557	0.5
59.01344	1.7
69.03442	2.2
70.80019	0.8
71.01377	6.7
71.05017	0.5
72.72083	0.4
73.02944	35.0
83.05015	0.7
84.02126	0.6
85.06616	0.5
95.01385	3.4
95.04977	0.6
96.02170	0.5
97.02938	1.7
97.06569	1.8
97.07140	0.4
101.09551	0.4
105.07035	0.6
107.05054	0.8
108.02193	3.2
109.02927	0.5
110.03680	0.5
112.96980	0.4
119.38625	0.4
122.03772	0.6
123.08170	5.7
125.06039	0.9
125.09715	4.1
127.11241	0.7
133.06519	1.1
135.08128	0.6
135.11839	0.6
137.09770	2.6
141.09132	0.6
143.08650	0.5
151.07591	1.2
151.11259	0.9
153.09183	1.1
155.10728	1.1
161.09720	7.8
163.07635	0.5
163.31496	0.4
167.07124	10.9
167.08539	0.7
171.10254	4.5
178.91344	0.4
179.07198	1.0
179.09282	0.8
179.10782	11.5
181.08652	0.9
197.11810	12.9
197.15517	0.5
198.12129	0.5
199.09746	9.5
199.65167	0.5
205.08675	5.0
214.45682	0.4
223.09743	100.0
224.10167	2.5
241.10805	63.8
242.11238	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	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
59.01373	9.3
60.99289	0.6
62.27848	0.7
69.34666	1.2
69.35050	0.9
73.02916	0.7
83.05029	0.7
85.06592	0.7
97.06564	1.2
109.19512	0.6
123.08105	0.5
125.02419	1.6
130.41833	0.5
135.11826	0.8
151.11240	1.2
153.12863	1.7
169.01474	0.7
179.07259	0.7
179.10770	9.5
195.10277	4.2
197.11813	100.0
198.12061	2.7
223.09741	1.1
241.05270	1.0
241.10793	30.3
241.14459	1.0
241.17996	0.7
241.21732	2.0
242.11227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85902	1.3
54.31749	1.3
55.84650	1.6
59.01371	7.3
62.87465	2.2
68.99792	1.7
69.30943	3.5
69.31348	4.2
71.01396	3.0
83.05022	12.4
84.91582	1.6
95.05058	1.7
96.40498	1.7
97.02943	9.0
107.23383	1.6
108.02184	1.6
109.06585	1.8
119.08629	1.7
121.10248	1.9
125.02482	1.9
125.09709	2.5
135.08179	7.4
135.71405	1.5
137.09718	100.0
147.08173	2.2
165.09206	12.5
169.08698	2.3
169.12366	9.2
181.08647	5.2
197.11792	12.0
197.99979	1.7
209.08183	11.5
213.11304	2.9
221.65222	1.8
241.10817	87.3
241.18008	1.9
241.21895	3.5
242.11179	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	241.1081
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03451	4.2
59.01376	100.0
61.01817	0.7
67.05534	1.1
71.01374	0.9
71.05034	1.4
72.09704	0.6
79.05533	0.9
83.05022	1.5
87.00891	2.2
95.05077	0.7
97.06581	1.5
99.04509	3.8
109.06534	0.9
111.04572	0.9
119.08649	4.5
125.09766	0.9
125.25891	0.6
135.08125	1.0
135.11829	1.0
137.09702	8.1
151.07582	0.8
153.12883	0.8
161.09776	1.0
163.07669	2.5
179.07118	1.1
179.10773	4.5
180.11337	0.8
181.08687	20.7
181.10184	1.2
197.11819	46.4
198.12254	0.9
223.09798	2.6
236.10507	0.7
241.07278	1.0
241.10820	20.8
241.14438	4.4
242.11192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.56429	0.9
57.03443	5.7
59.01379	15.6
60.75450	0.9
69.03452	1.9
71.05000	4.2
83.05030	1.1
87.00880	3.8
96.80322	0.8
101.55020	1.0
110.72685	1.0
119.21374	0.9
119.37649	0.9
137.09688	2.4
151.11269	1.1
153.12854	3.0
169.12292	1.9
179.07117	2.5
179.10840	6.0
181.08714	3.7
197.11821	100.0
198.12167	2.3
207.27632	1.0
223.06146	1.3
223.09711	4.2
225.02415	1.0
225.05531	1.1
241.05380	1.8
241.10811	52.9
241.14366	6.4
242.11244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
53.91327	0.6
56.23100	0.6
57.03448	5.2
59.01377	100.0
60.99298	1.1
67.05530	1.6
70.22366	0.7
71.04993	0.7
71.46673	0.7
83.05026	1.9
84.57772	0.6
87.00887	0.9
99.04517	3.2
99.10719	0.7
100.82455	0.7
109.02955	0.6
111.04509	0.9
119.08675	4.5
120.88580	0.7
135.08208	1.1
135.11818	0.7
137.09718	7.2
138.34244	0.7
145.89688	0.6
161.09688	1.5
163.07648	1.4
179.07239	0.8
179.10767	4.8
181.08698	20.2
182.09044	0.9
195.10278	1.4
197.11815	40.4
198.12143	1.3
219.92068	0.7
223.09729	1.8
241.05078	1.1
241.10808	22.8
241.14442	0.9
241.17973	0.7
241.21674	1.1
242.10945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	A factor
Peak:m/z	Relative Intensity
56.14422	0.4
59.01374	0.8
61.98811	0.5
69.76810	1.2
88.85269	0.4
89.26666	0.4
172.80806	0.5
195.90749	0.4
197.15462	100.0
198.15811	2.4
213.18588	1.0
240.86734	0.4
241.14449	28.3
241.18008	2.3
241.21487	0.6
241.90103	0.8
242.14688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1807
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
56.52437	0.4
64.91016	0.5
98.21764	0.9
213.03259	0.5
213.18658	2.9
241.18092	100.0
242.18419	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	241.1808
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
55.01863	1.1
55.04797	0.4
61.53053	0.4
62.34874	0.5
69.43301	2.7
69.90715	0.6
76.91808	0.6
83.05038	0.7
118.43124	0.6
169.15987	1.9
179.23105	0.6
193.15976	0.8
195.17551	8.4
197.19098	100.0
198.19473	2.6
241.18082	69.5
242.18445	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	241.1809
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
66.12972	0.7
69.68774	2.1
100.60162	0.8
141.51089	0.7
177.20984	0.7
184.53085	0.8
213.18565	4.3
241.18083	100.0
242.18439	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	241.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94671	0.8
59.01353	1.0
61.78535	0.7
62.93089	0.8
69.99487	1.9
96.99290	0.9
162.83780	1.1
176.24043	0.9
179.07219	0.9
181.93089	1.0
186.75281	0.8
213.18614	4.6
241.18083	100.0
242.18372	3.5
246.47006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62621	1.3
61.98830	100.0
64.66499	1.5
69.28530	6.7
73.24544	1.2
87.00832	1.7
98.21814	1.7
112.74593	1.4
132.53091	1.2
186.63086	1.6
242.07616	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	243.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01371	4.0
61.99674	0.5
65.03957	1.1
66.03493	0.6
69.84232	1.4
71.01375	2.0
72.99306	0.7
73.02941	0.7
74.39916	0.5
80.08890	0.5
81.03452	1.3
82.02972	2.6
83.01398	0.6
83.05026	3.3
85.02962	0.8
87.00874	100.0
88.01205	0.9
89.02461	0.4
93.03457	20.9
99.00884	3.3
99.04493	0.7
100.36588	0.4
101.02440	2.4
109.06572	0.5
110.02481	8.2
111.00893	1.1
111.04522	9.1
112.98792	4.7
126.98887	0.4
129.01935	1.0
130.60623	0.4
137.02449	9.8
139.02534	0.5
141.00493	0.8
142.99855	3.4
145.09785	0.6
152.03510	1.4
153.03040	0.6
153.26120	0.5
155.03497	8.0
157.03580	3.2
157.40997	0.5
163.07687	1.7
171.06595	0.7
173.00893	5.3
183.01498	6.3
200.05708	3.5
205.03593	2.1
210.98322	1.2
243.01033	0.8
243.05008	10.1
243.08504	4.4
244.11958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56265	0.4
59.01378	2.2
59.01630	0.4
61.98820	0.8
62.72582	0.4
63.30735	0.4
65.03963	0.9
65.19168	0.3
67.01904	0.5
69.03438	0.5
70.19326	0.4
71.01373	0.9
81.03498	0.8
82.00722	0.4
83.05035	3.4
87.00874	100.0
88.01188	0.6
90.10963	0.4
93.03459	23.8
96.00976	0.4
96.96928	0.6
98.21841	0.6
99.00900	0.5
109.02959	0.4
109.06601	0.8
111.04523	10.1
119.10539	0.4
121.02984	0.5
128.03546	0.6
129.03935	0.4
137.02438	10.4
155.03510	8.2
155.06999	0.5
163.07657	0.9
199.06134	1.1
211.06169	0.7
225.07668	1.0
243.02917	0.6
243.05121	10.1
243.08653	4.2
244.11954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16377	0.6
57.03445	1.0
58.11976	0.6
59.01376	4.3
66.03493	5.0
67.01858	0.8
71.01376	3.0
71.69598	0.7
72.82285	0.7
81.03475	2.0
82.02979	13.7
83.01381	1.3
83.05029	4.3
85.00422	0.7
87.00874	100.0
88.01244	1.0
93.03454	23.8
95.95992	0.6
96.04543	1.0
99.00861	2.4
101.02424	4.3
107.42564	0.8
109.02892	0.9
110.02475	39.7
111.00877	0.8
111.01984	2.7
111.04513	8.4
112.98808	4.3
122.02478	2.1
124.04041	1.6
129.01915	1.2
137.02448	10.5
139.02560	1.2
140.03505	4.1
141.00414	1.1
142.99895	3.4
145.09908	0.9
152.03516	7.0
153.03084	3.8
155.03510	8.1
157.03580	3.6
163.07629	2.1
173.00923	3.0
182.04541	0.9
183.01474	9.4
200.05643	15.5
205.03479	1.6
225.07623	0.9
243.06126	11.0
243.08769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.087
Annotation	Tensyuic acid F
Peak:m/z	Relative Intensity
52.48563	0.7
53.23541	0.7
59.01384	3.6
64.87152	0.7
69.03470	1.3
73.95138	0.7
83.05019	3.9
97.06564	0.8
98.21870	1.5
99.00887	2.9
104.35616	0.7
109.06554	0.8
125.06089	0.9
135.08167	2.3
137.09729	28.5
137.10805	1.4
138.10112	0.8
148.05434	0.6
155.10777	100.0
156.11108	1.8
163.07640	1.3
181.08675	5.5
199.09749	31.1
221.75587	0.7
225.07674	69.2
226.08017	2.6
243.08717	59.0
244.09023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
57.03437	1.0
58.00585	0.9
59.01377	5.7
60.99303	1.4
67.54716	0.2
69.03452	0.7
71.01381	19.4
71.05019	0.5
72.99303	5.1
73.02941	4.1
81.03449	0.8
83.01382	1.2
83.05013	2.5
84.02177	0.7
85.02951	0.6
87.04500	0.5
93.03444	0.3
95.05023	3.4
96.96020	0.7
97.02953	0.4
97.06587	15.4
99.00867	0.7
99.04507	2.2
99.08138	1.9
101.02439	3.9
101.06075	1.1
107.05030	0.3
109.06590	7.9
111.04523	0.6
112.05305	0.4
113.06070	0.8
115.07603	0.6
119.08648	0.8
122.03762	0.3
124.01676	0.3
125.06055	2.2
125.09694	0.7
127.00389	0.5
127.07653	5.0
127.11320	0.5
133.06500	0.3
133.76050	0.2
135.08151	4.0
137.09720	16.5
138.09984	0.3
139.07632	0.6
143.07140	0.6
145.01489	0.3
145.06613	0.3
151.07623	0.6
153.05560	1.9
153.09210	1.8
155.10764	2.2
159.06601	0.4
163.07640	4.1
169.08740	0.5
169.56473	0.3
171.06633	7.9
171.10103	0.3
171.27760	0.3
172.06984	0.3
179.07104	1.9
181.08705	7.6
183.10245	0.5
196.81845	0.3
197.08138	2.0
199.09734	4.4
201.11308	0.9
203.31374	0.3
207.06670	0.7
225.07690	2.6
243.08716	100.0
244.09029	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47693	0.7
57.03428	1.0
58.00583	1.0
59.01375	4.7
69.93238	1.0
69.93550	1.2
71.01379	13.0
72.99310	6.1
73.02938	5.1
83.01390	0.8
84.02167	0.8
85.02943	1.3
95.05054	1.4
97.06583	9.6
99.04507	1.1
104.48676	0.7
107.05012	1.0
109.02946	1.0
109.06603	11.0
121.02939	1.6
121.06575	1.4
122.03755	4.0
123.04553	1.0
124.01678	4.0
125.06040	1.9
127.07637	8.1
133.06555	1.2
135.08165	9.0
137.06046	1.2
137.09712	0.9
145.06601	1.8
151.07588	0.7
153.05602	3.8
153.09204	4.7
161.06111	1.1
163.07654	51.8
164.07986	1.0
171.06619	18.6
179.07149	6.0
181.08728	8.5
197.08163	4.3
207.06602	17.1
208.06975	0.9
225.07687	31.1
226.08012	0.7
240.84602	1.0
243.08720	100.0
244.09056	1.7
252.68939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0872
Annotation	Tensyuic acid F
Peak:m/z	Relative Intensity
55.31416	0.7
57.03447	1.1
58.00588	1.1
59.01371	5.3
61.47695	0.7
65.73553	0.7
71.01376	11.8
72.99294	5.5
73.02939	4.6
81.03442	1.0
84.02166	1.2
85.02943	2.1
90.87534	0.7
91.89188	0.6
95.05025	1.8
97.06587	9.0
98.22665	1.8
99.04499	1.7
107.05034	1.4
108.02148	0.8
109.06594	9.1
121.02938	1.6
121.06575	1.0
122.03728	3.0
123.04478	0.9
123.08144	1.5
124.01665	4.9
125.06075	2.7
127.07659	7.7
135.08150	7.3
137.06091	1.0
139.07639	0.7
143.07120	1.1
145.06618	1.6
153.05508	2.0
153.09232	4.1
161.06116	1.1
163.07646	36.3
171.06616	15.5
179.07144	4.9
181.08685	6.2
194.37471	0.7
197.08130	3.3
197.61980	0.8
207.06598	13.8
225.07658	25.5
228.73172	0.9
243.08714	100.0
244.09047	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21777	0.5
57.03456	0.9
58.00565	0.6
59.01372	2.8
67.10263	0.5
69.07677	3.8
71.01379	7.4
72.99294	4.1
73.02941	2.6
83.05031	1.0
84.02129	0.7
85.02967	1.1
91.78568	0.6
93.03416	0.6
95.04996	1.1
97.06593	5.9
98.21883	1.5
99.04552	0.7
107.05067	1.1
108.02187	0.7
109.06590	7.4
111.04491	0.7
121.02930	1.4
122.03734	2.3
123.04560	0.8
124.01623	2.9
125.06075	0.8
127.07663	4.4
135.08162	5.9
137.06065	0.7
143.07089	0.8
145.06564	1.1
153.05569	2.4
153.09201	2.1
163.07642	34.3
167.78372	0.8
167.93106	0.6
171.06619	12.2
177.58182	0.6
179.07155	4.1
181.08684	4.8
194.76062	0.6
197.08159	3.6
198.10622	0.6
207.06616	13.2
225.07683	22.7
225.09938	1.2
226.07909	0.7
243.08717	100.0
244.08975	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.24112	0.8
52.74233	0.7
59.01367	3.4
69.98094	1.3
69.98425	0.9
71.01382	2.2
71.05020	3.5
72.99277	0.7
74.12842	0.7
81.03404	1.0
83.05019	1.4
97.02952	5.9
97.06591	3.2
98.21920	1.2
99.00881	20.4
109.06612	2.4
110.03760	3.9
123.08137	0.8
124.82789	0.8
125.09737	6.6
127.07693	1.1
127.11235	1.1
135.08170	1.8
153.09264	0.9
153.12962	0.8
155.07062	0.8
155.14415	1.8
163.07642	4.4
163.11275	8.3
168.03139	0.8
171.10240	2.6
181.08720	0.9
181.12343	25.7
182.12724	1.3
193.74437	0.8
197.07942	0.8
197.11848	1.9
199.13391	18.8
207.10258	43.1
208.10585	1.5
225.07687	3.1
225.11320	80.5
226.11668	2.9
243.06612	2.4
243.08772	12.2
243.12369	100.0
244.12700	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.81792	0.8
57.03436	2.8
58.96887	0.8
59.01378	57.4
69.37730	4.2
71.01369	1.9
72.99284	1.5
73.02937	3.3
75.45264	0.7
75.46996	0.8
83.05004	1.6
85.00395	1.7
94.11132	0.8
95.05033	1.1
97.06596	1.0
99.04482	1.6
109.06565	2.1
110.02431	1.0
124.01652	1.0
135.08180	0.9
137.09731	1.5
139.11282	32.6
163.07632	6.7
163.11255	2.0
171.06624	2.1
181.08768	1.6
181.12337	22.5
182.12607	1.2
183.10249	48.4
187.50252	0.8
197.08154	1.2
199.13373	20.3
207.06476	2.6
225.07780	5.8
225.11272	15.0
243.08746	21.3
243.12340	100.0
244.12584	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83257	0.7
55.74785	0.7
57.03434	2.6
59.01376	53.1
59.74687	0.7
59.74999	0.7
64.98066	0.8
70.56536	1.1
71.01358	1.3
73.02951	3.6
85.94376	0.7
86.19067	0.8
122.38464	0.7
129.05606	0.8
137.09708	1.2
139.11284	33.5
140.11594	1.2
143.73347	0.7
144.13007	0.7
159.96735	0.7
163.07632	2.6
163.11354	1.1
165.09169	1.6
181.10742	1.5
181.12335	20.1
183.10249	45.6
184.10695	0.9
199.13390	17.2
225.07712	0.8
225.11298	14.7
243.08818	5.8
243.12349	100.0
244.12689	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13395	0.7
79.28899	0.4
96.14021	0.5
135.96925	0.5
165.12863	0.6
167.14383	0.9
183.13896	7.8
193.12314	1.7
211.13391	100.0
212.13828	2.2
243.08754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02971	24.3
59.01376	7.6
69.22385	4.7
70.02976	13.9
72.00897	3.6
72.04540	5.4
74.02470	100.0
98.02471	22.9
98.21781	1.5
101.83068	1.0
116.03539	25.7
116.05052	31.4
119.08708	0.9
120.04999	1.9
130.06616	4.6
142.06628	8.7
158.45692	0.9
159.09271	5.9
166.19843	0.9
179.65025	0.9
183.09285	1.7
186.05618	2.1
201.10324	7.4
203.08266	76.7
204.08560	2.2
245.09293	83.6
246.09610	2.9
249.06036	0.9
269.33493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82930	0.5
59.01378	17.9
69.52967	2.1
91.74539	0.6
94.07406	0.7
99.04895	0.5
105.03472	0.5
111.08138	1.4
113.09734	1.1
114.88645	0.5
123.04534	1.5
123.08163	6.1
141.09219	100.0
142.09558	2.1
149.02441	1.1
151.78555	0.5
157.08710	15.8
165.05569	9.3
165.09134	0.7
167.07162	0.7
185.08200	21.9
203.09247	80.5
204.09612	1.8
227.89912	0.5
245.01181	1.6
245.04842	0.9
245.10295	13.5
254.27075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Jioglutin D
Peak:m/z	Relative Intensity
54.66269	0.5
55.07206	0.7
57.03445	1.6
59.01400	1.3
71.05014	8.4
74.02460	0.7
83.04990	1.4
97.06602	3.9
98.00091	1.9
107.97043	0.5
111.08176	3.2
137.09712	3.1
139.11284	73.9
140.11649	1.2
155.10799	2.5
157.12335	1.5
165.09206	1.1
183.10251	14.3
183.11775	1.0
201.11302	21.5
227.09233	69.7
228.09570	1.8
245.10277	100.0
246.10687	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	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.3
61.84237	0.8
67.15220	0.9
71.01375	1.3
77.75435	0.7
78.61265	0.7
79.95721	0.9
97.06589	0.8
98.21838	1.6
111.08171	2.0
113.02472	0.7
113.09676	1.0
120.05009	1.2
123.04560	1.6
123.08156	6.0
137.09726	1.3
141.09219	100.0
142.09546	3.2
149.02419	1.2
157.08691	16.5
165.05559	10.1
165.09206	5.1
167.07201	0.9
181.08772	1.1
185.08185	26.0
190.51157	0.8
203.09247	85.0
204.09590	1.7
223.11455	0.8
245.01253	2.4
245.04701	2.3
245.10439	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20120	0.7
55.72253	0.7
57.03458	1.9
58.00605	0.9
58.02991	0.7
59.01379	4.9
59.32148	0.8
71.01389	0.9
71.05048	1.2
74.02493	3.2
80.02699	1.7
81.03480	1.6
83.05029	5.0
83.52138	0.7
84.02184	2.8
97.06624	0.9
98.02444	0.8
111.08115	0.9
115.91277	0.6
116.05038	0.9
125.09704	4.0
127.11273	6.0
135.08141	1.5
137.09715	2.0
139.11281	12.9
139.12297	1.1
141.09155	0.7
152.44771	0.7
155.10770	3.1
157.12317	1.6
163.11279	4.2
165.09225	2.1
165.12859	2.7
171.10231	2.8
183.10248	5.2
191.10747	1.3
199.09741	2.3
201.11316	97.9
202.11678	1.4
203.08249	2.3
203.12877	6.2
209.11816	100.0
210.12146	2.8
215.12698	0.9
227.09349	6.0
227.12849	16.7
245.10466	5.2
245.13931	4.3
245.17438	1.6
257.91278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86366	44.6
59.01366	100.0
69.76351	51.5
84.00887	85.0
93.25151	50.3
93.86786	48.0
94.01844	47.8
97.91273	59.9
100.46117	53.8
119.68559	61.5
130.68105	52.3
134.43076	52.3
140.62389	60.5
170.82002	53.4
224.15880	51.2
235.31851	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	246.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
72.99315	1.1
77.15281	0.3
79.95737	5.9
89.02473	0.5
90.97141	0.5
96.96011	12.0
105.03454	0.7
108.02174	23.4
109.06601	0.4
123.04521	13.7
132.98172	0.5
149.02382	1.7
152.01149	59.2
153.01462	0.9
167.03490	100.0
168.03856	2.5
169.53102	0.3
174.99284	0.7
186.95624	2.3
203.00224	4.3
215.07188	0.5
223.35611	0.4
228.98145	1.3
246.09546	0.8
246.99164	27.7
247.09717	0.6
247.99471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.9
59.10571	0.9
61.08493	1.1
66.77795	0.9
68.69285	1.0
69.03437	1.4
70.02942	1.4
70.99642	0.9
71.01385	5.1
71.44833	1.1
72.99301	18.5
79.95737	4.4
81.03471	1.5
85.22976	0.9
88.00582	1.0
92.10773	1.0
96.00946	1.6
96.96012	11.4
97.02933	1.1
99.00877	1.1
99.04517	2.2
105.03461	27.6
108.02182	16.7
109.06601	5.6
113.03584	1.8
113.78719	1.2
114.01969	2.4
119.05291	1.3
122.29494	0.9
123.04523	11.8
131.04651	1.4
131.08264	17.6
143.07083	1.7
149.02440	95.5
150.02779	3.0
152.01149	42.4
152.85892	0.9
152.95967	4.9
153.01482	1.5
153.05566	1.6
167.03493	100.0
168.03897	1.7
170.97012	7.9
173.10446	11.5
174.98225	2.4
186.95543	1.9
203.00194	2.4
204.94382	4.1
211.03577	1.4
215.05580	10.2
215.07240	1.0
225.38541	0.9
228.98105	48.5
229.04691	2.1
229.98447	1.4
246.89948	2.1
246.95459	1.7
246.96454	1.7
246.99162	32.4
247.08176	2.5
247.11836	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	247.1185
Annotation	oscr#9
Peak:m/z	Relative Intensity
50.44200	0.2
55.01854	0.3
57.03450	0.7
58.00597	0.5
59.01379	3.9
68.90456	0.3
69.03448	0.7
70.30390	0.6
71.01380	2.0
71.67981	0.2
72.99303	2.4
73.02942	10.8
75.00884	0.3
79.95728	1.1
80.96545	0.3
83.05019	0.8
85.02943	1.8
87.00840	0.4
87.76859	0.3
88.98815	0.3
89.02431	0.9
90.97135	0.6
94.18513	0.3
95.05030	0.8
96.96008	2.8
97.02979	0.4
97.06567	1.3
98.21912	0.3
99.04517	0.9
99.08151	1.7
101.02431	0.3
105.03449	1.7
106.04234	0.4
108.02174	6.9
109.06588	0.7
110.03704	0.7
110.18741	0.3
111.08150	2.0
113.09670	0.4
121.06582	0.4
123.04523	3.6
123.08159	1.6
125.06035	0.4
127.07629	1.3
127.11181	0.3
129.09218	2.9
131.08231	3.6
132.98190	0.9
137.02295	0.3
137.06062	0.4
137.09698	1.0
139.11259	1.1
141.09193	1.2
143.07088	0.4
143.10776	0.9
147.08122	0.8
149.02429	5.6
149.09705	4.3
151.07645	0.4
152.01146	13.0
153.09186	0.5
155.07135	5.8
155.10713	0.4
155.35210	0.3
156.26617	0.3
157.08632	0.4
165.09187	2.4
167.03490	24.5
167.10748	1.1
171.06682	0.4
171.78493	0.3
173.06078	0.4
173.08124	1.4
173.10419	2.3
174.99278	1.2
175.07559	1.1
183.10214	2.9
185.08145	0.7
186.95592	2.8
187.09732	0.5
191.07150	1.5
193.08720	1.5
203.00237	0.6
204.94398	1.2
205.00334	0.4
209.08183	1.3
211.09741	1.2
215.05475	0.7
215.07239	0.6
228.98123	2.5
229.10767	2.6
230.00108	1.0
246.95407	0.5
246.99155	6.2
247.11847	100.0
248.12247	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	247.1184
Annotation	oscr#9
Peak:m/z	Relative Intensity
57.03443	4.9
59.01373	1.7
71.18793	0.5
71.44519	0.5
71.44952	0.5
71.69014	0.4
73.02939	1.0
79.08483	0.5
81.03445	1.0
83.05019	14.5
85.61781	0.4
96.96025	0.7
108.02161	2.5
109.06607	4.0
110.70583	0.5
111.08150	100.0
112.08488	2.2
123.04510	0.6
129.09209	5.4
132.98146	0.6
135.63417	0.4
138.11699	0.4
141.09137	0.6
149.02394	1.1
152.01057	0.5
155.07135	0.6
167.03468	4.3
167.10759	1.9
173.08173	84.1
174.08522	1.6
185.11830	1.3
186.95576	1.4
197.04622	0.5
203.03540	0.5
203.07214	0.6
203.10817	0.6
203.12773	0.6
205.09698	0.7
211.09721	5.9
215.07094	1.1
229.10825	7.4
246.99141	1.2
247.02365	1.2
247.06003	1.4
247.11835	57.9
248.12251	2.1
269.35538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01378	0.2
105.01796	0.1
162.83908	0.2
169.92305	0.1
179.07182	0.1
186.95584	0.2
205.15924	0.4
220.17021	0.9
230.41226	0.1
231.13922	0.4
232.14749	0.2
235.87758	0.1
247.17010	100.0
248.17371	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	249.0403
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
59.01384	0.2
65.00330	0.2
69.81168	0.1
70.82545	0.1
89.03993	0.6
91.01954	0.1
92.02692	0.1
93.03434	0.6
95.01379	0.2
95.05025	0.3
96.02180	0.3
100.00383	0.1
101.03943	0.3
105.03455	1.6
106.04253	1.3
108.02178	0.6
109.02953	0.2
111.00871	0.2
117.03439	1.5
118.04272	0.2
119.01411	0.2
119.05380	1.0
119.89077	0.1
121.02953	2.3
122.03732	0.4
123.00884	0.2
123.04546	0.2
124.01662	0.9
125.02426	0.2
133.02956	4.8
134.03743	2.2
135.00867	0.2
136.01653	0.6
137.02422	0.5
138.03220	2.2
145.02963	1.7
146.03746	0.8
147.00867	0.3
148.01672	0.6
148.06334	0.3
149.02454	1.2
149.06094	0.2
150.03215	0.5
151.00308	0.2
152.01143	0.3
153.01929	0.2
160.01634	0.7
161.02444	24.7
162.03226	16.9
163.00346	0.4
163.03648	0.4
164.01152	2.4
165.01918	0.5
166.02730	0.1
173.02425	2.3
175.00386	0.6
175.03981	0.2
176.01187	0.3
177.01920	4.5
177.05533	0.4
178.02736	0.8
178.99899	0.2
188.01138	0.4
189.01942	6.1
190.02715	24.7
190.99869	1.2
191.02957	0.6
192.00636	0.3
193.01471	0.4
204.00609	0.3
205.01413	22.5
205.04865	2.3
206.02190	21.9
207.02573	0.7
221.04556	0.5
222.01665	0.7
234.01691	100.0
235.02052	2.6
249.04041	28.5
250.04428	0.9
250.14554	0.4
251.30661	0.1
256.08591	0.1
261.95001	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	249.1493
Annotation	Warburganal
Peak:m/z	Relative Intensity
52.76183	0.3
59.01377	0.5
61.98818	1.0
63.02584	0.3
65.03955	0.3
68.45615	0.3
69.82533	1.0
84.02530	0.2
85.00413	0.3
108.02168	35.2
109.02983	4.3
113.18105	0.3
122.03728	0.7
132.38365	0.2
136.01662	2.4
137.02484	0.3
150.03226	1.5
151.14987	0.7
151.46512	0.3
153.12830	0.3
164.83601	0.7
165.95735	0.3
177.16516	0.4
190.85188	0.4
221.15446	60.6
222.15787	2.2
248.97217	0.5
249.14935	100.0
250.15034	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	249.1493
Annotation	Schiffnerone A
Peak:m/z	Relative Intensity
56.32056	0.6
59.01370	1.9
61.98817	1.9
62.38146	0.6
79.05520	1.6
81.03449	38.2
82.03831	0.7
85.00420	1.0
88.16598	0.6
89.20988	0.6
109.02975	0.8
122.03740	0.7
122.63938	0.6
123.04515	100.0
124.04845	1.5
130.94473	0.6
146.72639	0.7
151.03940	1.0
218.32568	0.6
224.86258	0.6
248.97369	1.0
249.00595	0.7
249.11304	6.3
249.14929	68.9
250.14493	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	249.1495
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
59.01369	0.9
61.98815	1.5
71.44485	0.5
73.22402	0.4
81.03449	0.6
97.02938	0.5
98.67725	0.6
104.76775	0.5
109.02953	2.2
110.16212	0.6
121.02972	0.7
122.02882	0.7
122.03741	12.3
125.02488	2.5
135.04518	0.8
136.05310	7.9
137.02412	0.9
149.06058	3.6
163.07625	0.6
164.04829	2.6
164.08380	0.9
164.83510	0.7
177.05559	2.4
177.09186	0.6
178.09990	4.4
190.85176	0.6
191.07161	1.0
205.08755	0.6
205.15959	0.5
206.13118	24.0
207.13419	0.7
233.11798	1.4
234.12614	11.7
235.12714	0.5
240.96719	0.6
248.97365	3.6
249.14940	100.0
250.14529	7.7
266.11584	2.2
269.43399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1495
Annotation	Coreosenarione
Peak:m/z	Relative Intensity
54.25243	0.4
57.89486	0.4
59.01361	0.4
60.23514	0.4
61.98810	1.5
63.18549	0.5
65.03963	5.4
68.99822	0.5
70.36118	1.0
79.40224	0.4
85.00426	1.3
92.77815	0.5
97.06322	0.5
106.04291	0.6
107.05031	3.2
108.02173	4.5
109.02945	3.1
121.02948	1.1
122.03715	1.2
140.98238	0.5
145.96675	0.5
150.03181	0.6
152.20151	0.5
176.15611	0.4
190.85181	0.8
205.15962	2.1
207.13882	6.9
248.97311	1.0
249.14948	100.0
250.14711	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48674	0.5
57.36053	0.3
59.01369	1.6
68.54198	0.4
70.02965	0.7
71.01377	8.3
71.45239	0.3
72.00904	0.7
88.04037	85.9
89.04369	0.5
91.05536	4.8
93.03522	0.4
96.95996	0.5
114.01967	5.0
115.00370	14.7
123.04534	0.7
130.94402	0.4
132.03024	100.0
133.03362	1.1
134.06097	0.8
135.04527	4.7
139.67224	0.4
144.27103	0.3
162.03278	0.8
163.03505	2.4
163.07437	0.4
177.05510	0.7
178.05847	1.6
191.03056	0.5
206.08170	2.4
211.80119	0.4
218.11850	0.4
222.04868	0.7
232.06094	0.9
234.11243	0.6
250.04391	3.1
250.07167	23.2
250.14453	16.2
251.07458	0.4
251.14893	0.6
270.46234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16262	3.4
58.02971	66.4
59.01358	5.0
68.21735	3.5
69.68006	3.6
70.02962	4.3
70.38358	7.1
71.01376	8.5
73.04986	3.8
88.04051	4.8
91.05545	11.4
91.40916	3.4
98.60057	4.0
121.78276	4.2
123.04507	10.6
147.04512	15.6
150.06459	3.6
164.07147	90.8
167.03476	7.5
177.05608	4.3
178.05875	13.1
206.08212	89.0
207.06697	5.4
207.08554	6.8
218.11763	4.1
222.04958	8.8
238.88019	3.6
250.04401	23.3
250.14496	100.0
251.05539	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16262	3.4
58.02971	66.4
59.01358	5.0
68.21735	3.5
69.68006	3.6
70.02962	4.3
70.38358	7.1
71.01376	8.5
73.04986	3.8
88.04051	4.8
91.05545	11.4
91.40916	3.4
98.60057	4.0
121.78276	4.2
123.04507	10.6
147.04512	15.6
150.06459	3.6
164.07147	90.8
167.03476	7.5
177.05608	4.3
178.05875	13.1
206.08212	89.0
207.06697	5.4
207.08554	6.8
218.11763	4.1
222.04958	8.8
238.88019	3.6
250.04401	23.3
250.14496	100.0
251.05539	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	250.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88690	1.2
56.01405	1.2
59.01358	2.0
61.98822	3.9
70.19394	1.8
70.19720	1.9
108.02170	4.4
108.53591	1.4
110.00088	4.5
123.00869	1.3
125.34134	1.4
133.08923	1.5
137.99582	37.8
152.01201	6.7
164.08426	2.9
165.12854	3.4
167.14404	35.6
187.40472	1.4
192.07907	4.2
205.12296	1.6
207.10251	32.8
218.11919	2.7
223.13394	25.9
228.27264	1.4
234.11401	2.2
250.11798	3.0
250.14453	80.8
251.12852	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	250.1572
Annotation	Procainamide 4-hydroxylamine
Peak:m/z	Relative Intensity
61.98761	1.4
61.99099	0.5
65.03916	0.5
65.64597	0.2
69.80144	0.4
69.80474	0.4
82.54842	0.2
88.49550	0.2
92.92752	0.4
108.02127	1.3
109.02948	25.7
110.03780	1.9
121.02912	0.3
123.00861	0.3
123.04508	0.3
124.01653	0.7
125.02419	0.9
130.94337	0.3
137.02438	36.5
138.03238	7.8
139.22139	0.2
142.02690	0.9
147.94690	0.3
150.03185	0.3
151.03998	5.2
152.01164	2.2
152.04781	0.8
153.01942	0.3
164.83684	0.7
165.05577	0.7
173.13084	0.2
176.90230	0.3
179.07167	0.3
193.08711	1.9
207.10434	0.8
207.96776	0.4
218.12042	0.6
221.15436	1.3
222.15968	0.4
230.12457	0.2
234.11444	0.6
240.41843	0.3
249.14931	2.6
250.15892	100.0
251.12906	0.4
251.16272	3.3
267.11304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0924
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
56.13193	0.3
58.02250	0.3
59.01359	0.4
65.00324	0.4
69.03452	1.6
69.40426	1.3
71.01401	0.4
73.68620	0.3
81.03444	2.0
82.00601	0.6
83.01385	0.8
86.00119	0.3
88.79102	0.3
95.01376	0.5
97.02963	1.9
111.00894	1.6
123.00882	1.0
124.01653	16.6
124.68527	0.3
125.02444	85.8
126.02794	1.4
127.00362	1.0
136.98814	1.9
138.03226	0.4
139.00378	1.8
140.01175	3.6
149.60921	0.3
168.00604	2.9
169.01422	75.3
170.01750	1.5
181.01433	1.8
251.09241	100.0
252.09543	3.5
257.95532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1288
Annotation	TALAPEROXIDE C
Peak:m/z	Relative Intensity
51.26519	0.7
54.01131	0.6
55.93156	0.7
59.01371	1.2
61.98815	2.1
70.32935	1.1
70.33264	1.0
78.91858	0.9
80.91651	0.8
82.89197	0.9
87.04492	2.9
110.00080	4.0
116.00745	0.7
119.39190	0.8
123.04558	1.8
137.99590	36.1
138.82356	0.7
138.99831	1.0
147.72691	0.8
151.00359	2.6
152.01115	7.1
161.49173	0.8
165.09207	1.2
165.12793	2.4
167.14404	41.9
168.14795	0.8
168.91360	1.0
193.08670	0.9
223.11224	1.6
223.13377	32.0
250.85442	0.9
251.12842	100.0
252.13144	4.2
269.13785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1287
Annotation	TALAPEROXIDE C
Peak:m/z	Relative Intensity
51.68636	0.3
54.01093	0.3
57.44263	0.4
59.93435	0.4
69.25645	1.1
69.26038	0.5
78.07071	0.3
80.02671	0.9
83.05025	0.8
100.42313	0.3
110.00078	3.5
123.00884	0.7
124.01691	0.5
137.99593	35.8
138.99844	0.4
151.00346	1.8
152.01160	6.4
165.12823	2.4
167.14421	35.1
168.14795	0.6
195.17636	0.5
213.59337	0.4
223.13393	27.6
224.13733	0.6
251.12877	100.0
252.13228	3.6
255.68719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91763	0.3
80.02667	1.0
83.05022	0.6
98.21874	0.9
106.60610	0.3
110.00093	4.1
123.00896	0.9
124.01651	0.8
137.59792	0.3
137.99586	31.3
151.00377	1.6
152.01149	6.2
165.12823	2.4
167.14407	32.6
168.14778	0.8
195.17625	0.8
211.13338	0.6
223.13379	28.3
224.13744	0.8
251.12866	100.0
252.13214	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	251.1288
Annotation	TALAPEROXIDE C
Peak:m/z	Relative Intensity
55.01881	0.4
55.23170	0.3
70.85855	0.3
71.06908	0.6
96.07220	0.3
107.74013	0.3
109.02951	1.8
110.03741	7.7
123.00892	0.4
124.01632	0.4
125.02422	1.0
137.02444	2.3
138.03227	10.8
142.02766	0.7
154.25751	0.4
166.02699	7.6
167.03261	0.4
179.03459	0.8
180.04260	3.3
198.01704	0.9
205.12433	0.4
223.13368	10.3
224.13760	0.5
233.12090	0.4
251.12875	100.0
252.13202	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	251.1288
Annotation	TALAPEROXIDE C
Peak:m/z	Relative Intensity
59.01367	0.4
61.98823	0.6
80.02621	0.3
83.05026	0.6
101.02425	0.5
107.46262	0.3
110.00109	3.9
123.00871	0.7
124.01620	0.8
129.45634	0.3
136.91513	0.3
137.99590	33.8
138.99939	0.4
151.00377	1.7
152.01155	5.9
165.12833	3.0
167.14410	35.9
168.14719	0.7
168.91422	0.7
211.13379	0.7
223.02858	1.1
223.13385	29.9
224.13718	0.8
237.04340	0.3
251.12860	100.0
252.13188	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	251.1649
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
50.96082	0.3
54.01102	0.4
59.01373	0.3
60.17558	0.3
69.03438	0.3
69.49812	0.7
80.02673	3.9
81.03441	0.9
83.05032	2.2
91.34060	0.3
96.99093	0.3
97.06557	0.3
98.21849	0.5
101.02454	0.3
109.59323	0.3
110.00087	5.5
111.00864	0.7
123.00905	0.4
135.02039	0.3
137.99571	1.0
148.96564	0.3
161.31456	0.3
167.14369	1.7
179.18115	0.7
193.15970	6.0
194.16269	0.3
195.17523	59.6
196.17908	2.1
223.13390	0.8
223.16927	0.5
239.16449	2.0
251.12915	2.5
251.16519	100.0
252.16821	3.8
271.85120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1651
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
52.49833	1.7
57.03449	98.0
59.01354	3.6
69.03430	1.7
70.02902	3.8
71.05035	2.0
81.07104	4.5
98.21895	2.1
111.00894	2.1
111.68602	1.8
123.00926	3.8
125.09679	1.8
137.99603	13.5
139.00356	3.7
152.01082	3.0
167.14444	13.7
168.91405	5.3
205.65982	2.0
207.17534	100.0
208.17856	2.8
223.13403	11.6
227.05641	1.9
251.12738	39.7
251.16853	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	251.1651
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03385	5.9
57.21005	0.5
59.01308	1.5
69.03452	9.1
69.98811	1.5
71.01307	0.6
71.05002	3.2
73.02902	1.0
79.95734	5.0
85.06524	1.6
98.22568	0.6
99.04516	11.4
110.00037	2.0
137.09644	1.9
137.98518	0.9
137.99582	18.8
139.11284	22.9
151.00259	0.6
152.01147	3.5
163.11227	0.9
163.57886	0.5
179.14458	1.2
181.12245	1.6
191.14365	0.9
195.10249	24.3
196.10599	0.7
223.09741	73.6
224.10199	2.4
251.09286	13.3
251.16533	100.0
252.07341	2.5
252.16795	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	251.1651
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
53.25941	0.4
53.51776	0.4
54.27166	0.4
57.03444	6.5
60.30354	0.5
69.03455	9.8
69.03809	0.7
69.33042	1.6
70.32816	0.4
71.05022	3.4
72.18980	0.4
81.03439	0.5
83.05022	0.7
85.06594	1.7
96.63654	0.4
98.03756	0.8
99.04521	14.4
100.34727	0.4
110.00078	4.3
124.01642	0.7
135.86674	0.4
137.09746	0.4
137.99588	31.3
139.00034	0.5
151.00365	1.3
152.01154	5.0
154.23634	0.4
164.00955	0.4
165.12831	2.6
167.14410	33.4
168.14809	0.8
179.14392	1.1
181.12383	0.8
191.14384	1.0
223.13385	30.5
224.13741	0.7
228.47699	0.4
237.40457	0.4
251.12895	89.8
251.16528	100.0
252.13274	3.5
252.16837	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	252.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50096	0.2
59.01377	1.6
64.77892	0.2
67.01887	6.2
70.01969	0.5
70.02320	0.3
74.70495	0.2
111.00877	100.0
112.01218	1.1
124.01637	0.4
125.29065	0.2
125.99589	0.3
139.00255	0.3
162.75389	0.2
162.91620	0.2
168.62450	0.2
191.14397	0.6
227.11160	0.2
251.16435	2.3
252.17274	38.9
253.14455	1.6
253.17557	1.4
266.15231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.24709	2.6
69.25114	4.2
71.01393	1.0
81.03472	1.4
96.96009	62.4
97.02938	1.3
121.02964	1.8
127.11304	8.4
138.03148	1.1
160.64697	1.1
161.04504	3.5
173.11816	52.9
193.07175	4.0
209.08339	1.1
217.05067	2.0
235.06110	1.8
253.07477	93.5
253.10596	3.8
253.14366	5.3
254.07887	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	253.0869
Annotation	3,7-Dimethoxy-5-hydroxyphenanthrene
Peak:m/z	Relative Intensity
51.19741	0.3
59.01376	21.4
61.01260	0.3
61.98829	0.4
63.36863	0.3
69.28146	1.6
76.76853	0.3
78.01107	4.2
79.45740	0.3
83.05038	0.4
85.02957	0.5
96.99310	0.4
111.00887	0.4
123.37436	0.3
125.99589	1.3
139.00385	2.0
140.01184	0.5
159.74284	0.3
161.04570	0.9
167.14418	0.5
170.88344	0.5
184.05199	0.3
191.14427	8.2
193.07147	1.6
205.06644	0.6
207.08121	4.2
208.05310	0.9
209.15466	1.3
211.04008	0.7
212.04784	0.5
225.09241	0.5
233.06058	4.8
234.06772	0.6
235.07623	26.7
236.07950	1.1
243.79900	0.4
253.08690	100.0
253.14377	31.7
254.09030	4.6
254.14651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Lilioside B
Peak:m/z	Relative Intensity
59.01375	100.0
60.01712	0.8
62.10018	0.4
62.15363	0.4
69.57917	1.8
69.58249	0.5
69.85388	0.4
101.02480	0.6
101.22771	0.4
161.04581	2.2
193.07202	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1081
Annotation	Daldiniapyrone
Peak:m/z	Relative Intensity
54.64722	0.2
56.23770	0.2
58.00585	0.3
59.01377	11.9
61.98829	0.3
65.00315	0.7
69.03452	0.6
71.01379	0.7
78.01089	1.2
81.03455	0.8
82.00596	0.8
83.01358	0.7
86.00094	0.7
87.00829	0.3
89.02453	0.2
95.01429	0.2
97.02958	0.5
99.00858	0.3
106.00598	0.4
110.00083	0.8
111.00887	3.8
123.00870	1.2
124.01656	27.6
125.02448	18.7
125.03124	0.3
125.03407	0.4
125.99633	0.3
126.02778	0.4
127.00349	1.7
136.98795	2.5
139.00362	4.7
140.01160	5.8
151.00404	0.4
154.99825	0.6
161.04572	0.4
168.00627	6.3
169.01422	16.0
170.01785	0.3
191.14366	2.0
193.07220	1.0
205.71510	0.2
209.15459	4.1
253.10799	100.0
253.14404	5.3
254.11134	2.8
254.13747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1443
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
55.01876	0.2
59.01371	0.4
62.20298	0.1
64.65649	0.1
67.01889	0.1
69.03446	0.2
69.69945	0.4
78.01101	8.1
80.02682	0.1
84.02164	0.4
84.99314	0.3
96.99298	0.7
98.00139	0.2
98.22589	0.2
101.80037	0.1
111.00886	0.4
123.00841	0.1
124.98799	0.9
125.99585	9.0
127.00364	0.2
137.99602	0.1
138.74402	0.1
139.00371	3.8
140.01141	1.4
140.98323	0.2
151.14922	0.4
165.12897	0.2
167.14420	1.3
169.16002	1.7
179.14423	0.3
181.15877	0.2
191.14409	15.2
192.14749	0.4
197.15475	0.8
209.15456	0.4
223.13432	0.1
225.14851	0.2
234.70068	0.1
253.14432	100.0
254.14754	3.8
254.17410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
57.27038	0.1
59.01375	0.8
63.79495	0.1
84.02178	0.3
84.99301	0.4
96.99313	1.3
103.71525	0.1
110.63726	0.2
114.80961	0.2
124.98804	1.0
125.99590	12.5
140.98302	0.4
167.14426	0.4
169.15976	2.2
179.14476	0.1
181.15939	0.3
197.15511	0.9
233.00790	0.2
253.14444	100.0
254.14795	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
69.03458	0.4
74.93128	0.2
78.01101	7.4
78.01558	0.4
84.03873	0.2
84.99303	0.2
87.83153	0.2
96.99300	1.0
97.89416	0.2
98.22707	0.3
111.00854	0.5
124.98810	1.0
125.99583	9.4
139.00378	3.9
140.01169	1.0
140.98309	0.3
151.14937	0.5
161.04562	0.2
165.12849	0.2
167.14397	1.3
169.16046	1.5
179.14415	0.3
181.15939	0.3
190.38681	0.2
191.14409	15.8
192.14717	0.5
197.15524	0.9
200.54085	0.2
209.15466	0.8
235.13419	0.3
253.14432	100.0
254.14795	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	253.1443
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
52.38913	0.3
55.01868	0.4
55.35763	0.3
59.01375	6.4
66.53538	0.3
69.03454	4.0
71.01353	0.4
78.68531	0.3
83.04978	0.5
84.02168	1.1
85.16306	0.3
96.02174	0.8
97.02899	0.4
108.02132	1.0
110.03713	0.7
112.01659	0.4
122.03721	0.4
123.00871	1.2
129.37904	0.3
136.01674	2.1
140.01163	0.8
151.14903	3.9
153.12875	0.4
162.71693	0.3
167.14424	3.0
169.15970	6.6
174.02921	0.3
179.14404	3.8
181.15964	7.2
193.07080	0.4
195.13878	0.5
197.15445	5.3
202.99309	0.4
209.15450	20.3
210.15877	0.6
223.13364	1.0
225.14932	2.7
235.13376	4.8
235.17030	0.7
253.14424	100.0
254.14734	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1443
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
59.01376	3.8
60.41745	0.4
68.99821	0.4
71.01359	0.6
80.02691	0.5
81.03402	0.4
84.02164	0.4
89.02444	0.6
95.01399	0.3
112.01662	11.5
125.02444	0.6
144.00667	1.6
161.04576	0.4
165.12842	0.8
167.14412	9.3
179.14462	0.4
181.16084	0.4
191.14407	0.4
197.15488	4.4
197.19112	1.6
225.14952	26.3
226.15295	0.9
253.14438	100.0
254.14726	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	253.1806
Annotation	Kessoglycol
Peak:m/z	Relative Intensity
54.01080	0.7
55.01835	1.1
59.01324	12.6
62.53318	0.5
64.67522	0.5
68.99810	4.7
69.03405	1.9
70.16045	0.7
70.16351	1.1
84.02161	3.0
98.00009	0.5
112.01669	7.5
125.02410	0.9
144.00595	2.3
179.18044	2.4
193.07137	1.1
193.15878	1.3
195.17531	5.7
197.19102	41.1
198.19354	1.1
209.19080	3.7
225.18581	100.0
226.18915	3.1
253.14554	2.8
253.18077	78.8
254.18401	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	253.1808
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
58.19345	0.2
59.01375	4.9
59.10911	0.2
59.52510	0.2
68.02673	0.3
68.99803	0.3
85.61973	0.3
112.01663	12.1
125.02419	0.4
139.64310	0.2
144.00623	2.0
170.88437	0.3
193.07124	0.3
195.17540	1.5
197.19118	0.5
223.39340	0.3
225.18599	2.3
253.18080	100.0
254.18425	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	253.2172
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
59.01376	100.0
64.93787	13.4
69.59302	26.1
69.59694	29.4
74.09212	14.3
93.03457	14.5
96.20840	14.8
98.22556	26.7
136.98798	27.2
143.94093	12.7
164.85803	12.2
216.99948	14.1
217.84901	14.6
253.14436	24.7
253.21777	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	1.3
67.30126	0.4
69.27084	0.6
69.27479	1.2
74.42878	0.4
78.95901	17.7
91.78997	0.3
96.96009	7.8
96.96992	0.6
98.21892	0.7
112.92322	0.3
121.28545	0.3
135.91521	1.3
150.93787	0.6
152.91757	60.3
167.90468	8.3
170.92770	1.0
194.92767	100.0
195.27191	0.3
195.93037	0.7
212.93839	7.8
224.41331	0.4
236.94832	1.7
254.85167	1.3
254.95613	1.3
255.23318	5.0
256.87744	0.4
271.86407	0.4
274.88702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.114
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
53.76486	0.4
58.67498	0.4
59.01368	1.5
60.89392	0.4
65.03969	0.7
65.79092	0.4
69.18598	2.4
92.05030	0.6
95.05007	1.4
96.95957	0.5
98.22594	1.0
115.55859	0.5
120.04520	1.2
122.06139	1.6
132.04567	0.6
134.06114	7.0
136.05032	0.4
139.07610	0.6
145.05264	1.5
146.06146	0.5
149.06009	0.6
152.91745	1.4
155.38480	0.4
159.05670	3.8
160.06438	1.2
182.06110	3.2
183.13705	0.4
194.92816	2.4
196.07683	1.6
197.08376	1.3
198.07965	0.5
211.13423	0.9
212.10838	8.9
213.11159	0.7
225.06668	1.8
226.07466	5.4
228.10280	0.5
237.11252	1.2
239.08267	5.6
240.04221	1.2
240.09013	12.7
254.10681	0.5
255.11365	100.0
255.23289	13.5
256.11673	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	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.8
59.01373	16.8
67.05524	3.3
69.03449	1.8
69.30416	6.1
83.05033	1.4
91.12648	1.3
93.03434	1.4
93.07093	10.4
97.06586	2.3
98.21800	1.6
99.00867	3.5
99.04494	2.7
109.06640	1.3
110.07015	1.3
111.08195	2.5
121.06517	1.9
121.84197	1.2
123.11809	7.2
136.05339	1.6
137.02426	1.7
149.06079	2.4
151.00307	3.5
151.07718	1.6
151.11320	3.5
160.08893	1.8
167.10764	61.1
167.14392	5.4
169.08742	1.7
175.11258	4.4
193.05092	1.9
193.12302	21.2
209.00880	1.7
211.06091	3.6
211.09798	5.8
211.13379	100.0
212.13774	4.1
237.00418	7.3
237.07742	1.3
237.11293	3.2
237.15005	3.0
241.60693	1.3
255.01405	6.0
255.05040	3.7
255.12366	94.3
255.15952	13.0
255.23268	60.1
256.12677	3.5
256.23416	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	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46749	0.7
51.91736	0.6
57.03434	0.8
59.01364	1.9
69.40585	1.7
69.40998	1.8
71.01369	1.5
76.87008	0.6
82.95097	0.6
83.05025	1.1
93.33196	0.6
94.32146	0.6
98.21896	1.4
122.97617	0.8
136.77963	0.6
141.09221	1.0
152.91760	0.8
165.12845	1.5
167.14394	2.3
183.13898	46.9
184.14212	0.9
193.12318	1.1
194.92781	1.8
211.13387	100.0
212.13707	3.1
217.96616	0.6
227.03366	1.1
255.02982	12.8
255.12369	78.9
255.16362	2.1
255.23253	11.4
256.12747	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79839	0.2
52.24297	0.3
59.01377	1.8
61.01063	0.3
69.94896	0.7
71.01384	0.4
73.02938	0.5
76.87151	0.3
78.01094	0.3
80.02670	1.4
81.03471	0.6
83.05035	1.3
96.95994	0.3
111.79845	0.3
128.00031	0.3
139.07628	0.4
142.17278	0.3
152.91753	0.9
156.52921	0.3
165.12827	4.7
167.14409	100.0
167.42216	0.3
168.14746	2.6
169.16011	0.6
191.14409	0.5
191.34839	0.3
193.15094	1.2
194.92801	1.2
195.13864	3.3
197.15480	0.3
199.17035	17.0
200.17390	0.4
211.13422	2.5
219.84578	0.6
223.13390	1.6
227.16515	32.4
228.16878	0.9
243.15950	1.0
246.04056	0.3
255.06636	0.4
255.15047	9.2
255.19038	0.6
255.20245	0.4
255.23282	5.3
256.16074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59456	0.6
59.01373	2.3
61.98816	0.8
70.91586	0.9
72.43317	0.5
72.99304	37.1
73.02937	0.8
78.95901	0.8
87.00871	28.2
94.21892	0.5
96.96007	1.1
97.15310	0.6
98.22559	0.7
124.01582	0.6
152.91701	3.5
167.14388	2.8
169.15964	2.4
170.88335	0.7
172.87993	1.1
181.16063	1.4
186.95532	1.0
194.92747	5.0
197.15498	4.4
199.17020	4.1
209.15359	0.9
219.84593	3.8
223.13441	0.7
237.14883	1.4
254.85623	2.6
255.15993	100.0
255.23201	11.6
256.16452	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	255.1965
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
52.54238	1.4
54.22686	1.3
59.01366	1.9
71.43679	1.4
99.07244	1.3
104.41239	1.6
106.83489	1.3
119.78704	1.3
142.65138	1.4
143.30972	1.5
185.92976	1.6
194.92950	1.7
195.17496	3.7
206.69794	1.5
227.20168	3.9
255.19656	100.0
255.23260	19.4
256.20004	2.9
256.23474	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	255.1965
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
54.00874	0.2
54.01102	0.4
59.01377	0.4
59.34379	0.2
60.90824	0.2
69.03428	0.3
70.94850	0.2
73.02362	0.2
77.80527	0.2
80.02674	2.6
81.03457	0.9
82.40293	0.2
83.05022	2.0
89.35402	0.2
97.06581	0.3
111.79599	0.2
119.72226	0.2
125.24669	0.2
193.15974	4.6
193.37831	0.2
194.92764	0.4
195.17531	100.0
196.17867	3.3
219.84491	2.7
223.16953	2.1
227.20168	0.3
239.16539	2.7
255.19650	28.1
256.19986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2328
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
61.98838	1.0
71.45181	0.9
87.83197	0.9
95.01418	1.1
98.26425	1.1
110.95206	1.0
123.00851	3.0
211.17084	0.9
213.13498	0.9
219.84521	14.8
255.23280	100.0
255.82190	1.7
256.23636	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	257.0665
Annotation	Posoquenin
Peak:m/z	Relative Intensity
54.03282	0.4
55.01868	0.6
57.03443	1.2
61.94165	0.5
69.03455	8.7
69.99233	1.0
71.01379	6.7
71.05016	7.4
72.99307	4.8
73.02943	0.8
75.00848	0.5
81.03459	2.3
83.01350	1.4
83.05032	1.4
85.02935	7.4
87.00858	0.9
92.02578	0.4
93.03458	1.8
94.02953	0.5
95.01392	1.7
95.05027	4.1
97.02953	7.6
97.06592	1.1
99.00886	2.0
99.04531	0.5
101.02474	0.5
107.05051	2.7
108.02172	3.1
109.02948	0.9
110.03709	0.6
111.00877	0.6
111.04510	3.6
113.02436	1.6
113.06080	1.2
115.04011	15.7
119.05035	0.5
121.02941	5.0
121.06581	3.1
122.03745	0.5
123.00888	3.9
123.04519	16.0
124.01637	1.2
125.02464	2.4
125.03198	0.4
125.06087	1.1
131.05009	2.4
133.06604	3.4
135.04541	3.8
137.02423	0.8
137.06071	1.8
139.04008	8.0
141.01942	25.3
141.05562	1.4
142.02258	0.5
142.73969	0.5
143.03526	0.6
147.04550	0.6
149.06088	6.2
150.03207	0.5
151.03964	0.9
151.07640	3.3
152.07156	2.5
153.05583	0.8
155.03470	0.5
156.59447	0.4
157.05057	1.4
159.04512	11.9
162.03282	0.7
166.02715	0.8
167.07076	1.1
169.05078	0.4
171.11926	0.5
175.04033	0.6
175.73347	0.4
177.05571	24.5
178.05981	0.5
181.05078	1.3
189.82498	0.5
193.05199	0.4
195.06587	5.5
213.07672	6.4
214.55762	0.4
221.04547	1.2
225.96060	0.4
239.05573	2.4
240.05226	0.9
257.06650	100.0
258.07007	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	257.0664
Annotation	Posoquenin
Peak:m/z	Relative Intensity
53.70021	0.8
57.03443	0.9
57.69032	0.7
59.01369	1.5
61.88957	0.9
69.03454	8.0
71.01376	5.6
71.05016	7.9
71.43851	1.1
72.99308	5.4
77.80719	0.7
78.95901	1.0
81.03448	2.1
83.01360	1.5
83.04992	1.4
85.02940	6.6
86.99090	0.7
93.03450	1.7
95.01356	1.2
95.05017	3.0
97.02963	7.1
99.00876	2.3
107.05031	3.4
108.02181	2.7
111.04523	2.8
113.02465	2.0
113.06108	0.8
115.03242	0.6
115.03997	15.4
121.02967	4.7
121.06583	2.7
123.00880	3.2
123.04523	15.2
124.01694	1.6
125.02454	4.1
125.06102	0.9
131.05014	2.1
131.08260	1.7
133.06561	2.9
135.04521	2.4
139.04012	8.6
141.01938	29.1
141.05603	1.4
142.02312	0.9
147.04535	1.1
149.06068	5.7
151.07591	1.6
157.05023	1.2
159.03313	1.4
159.04506	12.9
167.06956	0.8
173.10457	1.2
177.05557	24.2
178.05954	1.0
188.54752	0.8
195.06635	4.5
196.92390	1.5
213.07625	5.5
239.05576	2.2
256.23718	3.8
257.06656	100.0
257.24078	1.5
258.06955	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.103
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
51.37783	0.9
55.02828	1.0
57.03433	2.6
59.01379	7.5
69.03462	1.4
69.25043	5.6
69.25433	2.0
83.05014	2.5
85.02928	1.5
89.40564	1.0
95.12809	1.0
97.06584	2.8
99.00833	1.5
101.21804	0.9
110.79961	1.0
133.05835	2.7
149.09767	1.4
151.11273	27.5
152.11600	1.6
168.34962	1.1
169.12332	100.0
170.12689	2.7
188.47102	1.0
195.10274	9.6
207.10237	3.1
213.11310	36.9
239.09239	76.1
240.09477	2.5
257.04767	4.7
257.10287	67.9
267.07175	1.3
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
50.96290	0.8
58.58608	0.7
59.01377	47.6
69.33470	3.6
72.99297	5.1
79.48782	0.8
98.22538	1.6
106.04237	1.1
106.18651	0.8
125.09695	3.1
135.08145	6.3
153.09210	100.0
154.09555	2.1
160.72899	0.9
165.41075	0.9
169.08702	6.0
171.10283	3.9
179.07149	1.5
197.08215	19.2
197.10017	1.3
215.09244	81.0
216.09552	2.5
257.10291	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	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.1
58.00589	0.6
59.01372	1.4
69.03469	0.5
69.26117	0.3
69.26779	1.6
72.91035	0.4
72.99308	27.2
73.02944	0.6
83.05003	0.4
87.00874	18.2
92.29247	0.4
92.42300	0.4
95.01394	0.5
95.05045	0.4
97.02973	0.4
97.06577	0.9
109.02929	0.5
109.88881	0.4
110.03754	0.4
111.00878	0.4
115.29481	0.4
123.00870	0.7
123.08153	0.6
124.01659	2.0
125.09736	3.6
127.11313	1.1
134.96745	0.4
135.08127	0.7
137.09727	0.6
147.65196	0.4
149.09691	1.1
151.07671	0.6
151.11311	0.9
153.09210	0.5
155.10767	0.6
159.08116	0.6
165.09186	0.9
167.10728	1.8
171.10266	1.6
177.09203	4.5
193.08679	0.6
195.10274	1.1
199.09738	2.7
201.11334	7.4
211.09805	2.2
213.11369	1.1
221.06041	0.5
221.08191	8.8
239.09244	60.5
240.09645	2.4
257.10300	100.0
258.10632	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	257.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01377	10.8
67.77161	0.4
69.03447	1.9
69.68620	1.8
71.01378	22.4
72.99305	2.8
73.02950	1.5
81.03427	0.9
83.01386	2.4
83.05013	0.9
84.02142	0.9
85.02938	1.1
95.05017	3.6
97.02948	0.7
97.06586	31.4
101.02429	1.0
107.05024	2.6
109.06571	2.0
121.06581	0.6
123.04487	1.1
123.08158	0.9
124.01665	4.1
125.05199	1.0
125.06079	16.7
125.06992	0.9
133.06558	1.0
134.03708	0.7
135.04488	1.0
135.08115	2.1
137.06068	0.8
137.09689	0.7
148.05266	0.5
151.07635	2.2
151.11296	0.5
153.05573	18.9
161.06059	0.9
163.07657	2.3
165.05576	1.7
167.07140	1.8
179.07101	2.4
185.08189	1.8
189.05598	1.4
195.10243	1.0
207.06621	1.7
211.09726	0.6
213.11319	4.7
239.09265	3.2
257.10294	100.0
258.10629	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	257.1031
Annotation	Gardenate A
Peak:m/z	Relative Intensity
57.03442	3.8
58.00598	1.0
58.19759	0.5
59.01392	3.1
69.51408	2.1
71.01370	0.7
72.99301	5.1
73.02942	5.2
81.03471	0.5
82.13456	0.5
82.83375	0.6
83.05048	0.7
85.02950	13.8
95.05040	0.7
97.06583	10.7
99.04517	1.3
99.08129	0.8
109.06587	9.2
111.04505	1.1
113.06071	0.9
116.77124	0.6
121.06584	1.6
122.03722	0.5
124.01672	0.6
125.06056	1.9
127.07652	6.5
135.04529	1.4
136.05289	1.4
137.02446	0.5
137.06134	0.7
137.09706	0.6
138.03221	5.7
143.07143	1.1
147.08102	0.8
149.06070	0.7
149.09711	5.8
152.04767	0.7
153.05574	2.7
159.08170	0.9
162.06856	1.3
165.09206	0.8
167.10779	4.4
169.08720	0.8
171.06619	15.0
177.09207	31.4
178.09523	1.4
193.08685	5.1
195.10245	4.0
200.23267	0.6
211.09767	3.8
213.11446	0.8
221.08167	10.1
222.08595	0.6
239.09247	18.7
240.09558	1.0
257.10291	100.0
258.10565	4.3
272.58560	0.6
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
57.03430	1.0
59.01376	2.6
69.49501	1.1
69.49887	1.1
72.99303	14.1
73.02955	0.9
75.43328	0.5
83.05009	0.6
87.00871	34.9
92.85915	0.6
95.01418	0.6
97.06576	1.3
98.21912	1.2
108.08750	0.6
123.00864	1.5
123.08136	1.2
124.01662	2.8
125.09726	4.5
127.11280	1.3
135.08221	0.8
149.09746	0.8
150.45247	0.6
151.11287	1.3
153.09273	1.3
155.10762	1.3
165.09175	1.5
167.10748	1.7
167.86729	0.6
171.10274	1.5
177.09207	5.1
193.08740	1.1
195.10257	2.0
199.09798	3.3
201.11301	7.7
211.09732	2.3
212.12953	0.6
213.11295	2.4
221.08177	10.1
239.09241	75.4
240.09526	2.4
257.10294	100.0
258.10709	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	257.103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22469	0.4
56.61321	0.4
57.03437	0.9
58.00586	0.7
59.01368	2.4
65.88720	0.4
69.03469	0.8
69.26336	1.0
69.26739	1.6
71.01007	0.9
71.01379	10.3
72.99307	1.7
73.02946	4.7
74.18783	0.4
83.01324	0.5
83.05000	1.1
84.02193	0.6
84.47550	0.4
85.02947	1.8
88.80079	0.5
95.05033	0.8
97.06596	0.5
108.02164	1.1
110.03765	0.6
111.04529	1.5
111.08154	7.3
113.09702	1.3
121.02952	1.2
121.06608	0.9
122.03729	2.9
123.04515	3.3
123.08157	5.6
124.01641	3.1
125.06039	0.6
129.09203	0.6
134.03711	0.6
136.05310	0.5
139.07628	1.7
141.09212	4.3
149.06061	0.7
149.09740	4.8
157.08720	3.6
159.08133	1.3
167.07175	1.1
167.10742	1.7
177.09203	17.6
178.09467	0.6
185.08183	21.7
186.08601	0.6
193.08705	3.4
195.10260	0.8
199.09735	1.3
203.07127	0.6
211.09779	3.0
221.08153	5.4
239.09229	12.6
248.49947	0.5
257.10297	100.0
258.10623	3.8
272.18817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
59.01377	100.0
60.01688	0.6
68.29659	0.5
70.01183	0.9
70.01995	0.5
81.15666	0.5
87.04501	0.8
89.63808	0.4
95.05034	0.8
98.21927	0.5
101.23548	0.4
143.51311	0.5
163.11269	0.6
181.12321	0.9
183.10266	0.9
207.10265	0.8
225.11330	1.8
257.13928	33.9
258.14270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	5.6
59.01357	1.1
61.11396	0.7
61.98819	0.7
69.13972	4.8
69.39264	0.7
71.01385	0.9
73.02937	3.0
97.49383	0.8
106.93642	0.8
117.09585	0.6
149.47020	0.7
153.12885	2.0
155.14412	37.0
156.14908	0.9
159.96228	0.8
167.14395	1.7
171.13956	1.0
183.13919	8.7
185.15457	100.0
186.15843	1.8
213.14949	1.9
219.84660	0.9
221.84256	1.8
229.14406	2.6
257.13889	1.4
257.17676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1758
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
59.01371	0.5
62.97540	0.3
69.55546	1.3
76.51476	0.4
81.70067	0.4
103.32341	0.4
116.92807	0.6
122.98427	0.4
130.00510	0.4
195.17526	1.3
197.90366	0.6
213.18593	100.0
214.18961	3.2
219.84543	3.4
220.84505	1.0
221.84224	6.6
252.34015	0.4
257.17578	4.3
257.21204	0.7
257.81741	0.4
257.93762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0222
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
52.82456	0.2
54.61589	0.2
59.01371	0.4
69.38374	1.0
71.01374	0.8
72.99297	0.5
73.23546	0.2
75.08231	0.2
78.95901	100.0
84.58748	0.2
87.00916	0.3
87.87144	0.2
89.02448	0.3
89.10688	0.2
96.96957	90.6
98.22578	0.4
101.02445	0.6
127.95136	0.2
129.01846	0.2
138.98021	5.9
168.99072	2.7
199.00119	2.9
204.84160	0.2
223.00066	0.4
241.01183	3.0
243.52226	0.2
258.92468	0.7
259.02209	30.3
260.02573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.028
Annotation	Phorbazole D
Peak:m/z	Relative Intensity
52.25375	0.1
55.67500	0.1
69.85269	0.3
78.74199	0.2
79.95730	1.8
87.38710	0.2
96.96011	100.0
97.95950	0.2
108.00752	0.2
120.46972	0.1
149.06136	0.2
160.19217	0.1
160.94627	0.2
187.96397	0.1
220.40811	0.2
259.02808	14.8
260.03018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0821
Annotation	Latifonin
Peak:m/z	Relative Intensity
57.03438	1.4
59.01381	5.2
64.03625	0.7
69.03454	0.9
69.09447	1.9
69.09850	2.0
71.01381	2.2
71.05027	0.8
72.99302	2.8
73.02932	1.1
75.00873	9.4
78.95905	0.7
81.03475	0.7
83.05029	1.1
85.02948	1.5
87.00875	22.7
93.03445	1.2
95.01411	0.8
95.05032	2.0
96.96947	1.5
97.02943	1.7
97.06576	8.0
99.00890	2.7
99.04530	1.5
99.08163	2.9
103.00373	1.0
107.05009	0.6
109.02948	4.3
109.06580	2.2
110.03728	1.6
111.04524	0.6
111.08158	1.0
112.01649	1.3
117.07098	0.8
119.05042	0.8
121.06581	2.3
123.04520	1.2
123.08153	4.0
123.26021	0.7
124.01628	1.5
125.02448	8.7
125.06123	1.2
127.07653	1.3
133.02945	1.9
133.06580	2.2
135.04588	0.9
135.08162	1.4
136.01656	0.8
137.02448	2.6
137.06073	6.5
138.03241	5.2
141.09074	0.7
145.06578	1.4
147.04446	1.2
149.06068	0.8
150.03215	1.5
151.07632	10.3
153.05565	1.2
153.09210	2.5
155.07155	9.4
161.06049	6.1
169.08713	1.1
173.06038	0.8
173.08191	13.2
177.05524	0.6
179.07126	40.5
180.07510	1.2
181.05092	2.2
183.06580	0.9
185.08171	1.2
189.05614	0.7
195.06682	4.3
197.08200	1.2
199.06096	10.2
201.07623	1.0
203.07118	0.7
205.05121	0.6
211.06110	1.4
213.05814	0.8
213.07693	3.2
217.05124	1.0
223.06100	21.0
231.06628	2.7
241.04997	1.1
241.07158	10.1
255.29330	0.6
259.06042	6.4
259.08234	100.0
260.08606	3.0
265.65872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.9
69.42104	2.7
134.31360	0.6
137.09718	6.5
155.10777	100.0
156.11108	1.7
171.10263	16.2
178.31325	0.5
181.08684	0.9
199.09755	29.7
217.10796	71.4
218.11160	2.5
244.57639	0.6
259.11871	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	259.1186
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
57.03439	3.4
59.01377	69.0
72.11377	0.8
73.02940	1.0
78.95928	0.8
79.52623	0.9
89.97765	0.7
91.30605	0.8
96.96008	13.2
97.06589	18.1
98.21838	1.5
99.04504	5.4
105.33624	0.8
120.60319	0.7
127.11291	3.0
132.49020	0.8
137.09737	4.6
141.05586	12.0
153.09258	0.9
153.12892	2.1
155.10800	1.7
155.48616	0.8
159.06647	1.0
169.12334	1.2
169.81201	0.8
171.10216	1.7
179.10675	1.0
181.08728	2.3
197.11824	12.4
199.09749	12.6
215.12892	7.4
220.42171	0.8
241.10727	4.5
259.11865	100.0
260.12280	3.4
284.21964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01369	1.3
68.97801	0.5
69.36716	1.3
69.37122	0.8
71.05029	0.4
72.21857	0.4
83.05034	0.6
96.95465	0.4
96.96007	2.5
96.96992	0.5
98.22546	0.7
125.09715	1.0
151.11256	0.7
153.12852	37.4
154.13220	1.1
155.10754	1.2
171.13925	0.7
197.11823	39.2
198.12163	0.9
199.09682	0.5
215.12874	100.0
216.13176	3.3
217.10825	1.2
241.10889	2.6
259.02615	0.7
259.11868	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	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51441	0.6
67.70000	0.7
70.69091	0.5
70.80660	0.7
80.02661	1.5
81.03437	1.2
83.05018	6.9
84.02180	3.8
85.10278	0.7
98.22592	0.6
100.99169	0.6
116.13663	0.6
124.47540	0.6
135.08128	1.1
153.09033	0.6
155.10722	1.1
163.11275	6.2
163.85060	0.6
165.12862	2.9
177.39017	0.8
181.12350	1.9
191.10762	0.9
209.11821	100.0
210.12189	3.6
227.10608	1.2
227.12869	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	261.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71910	0.3
51.55578	0.4
53.18667	0.3
57.82102	0.3
64.34978	0.3
65.87225	0.3
69.32537	1.6
72.99303	0.7
73.30900	0.3
74.02467	0.5
79.95731	0.4
81.03444	0.8
96.96008	3.0
107.01373	4.3
110.97577	4.7
116.03532	0.3
122.03706	0.4
125.02399	0.6
132.04626	0.3
151.00354	15.6
152.00664	0.6
156.98526	0.3
166.02701	87.6
167.03011	1.4
168.83437	0.3
181.05054	100.0
182.05379	2.0
193.96123	0.3
261.00720	25.5
261.09637	0.6
262.00937	0.7
265.87210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27370	0.1
59.01374	0.3
59.68215	0.1
60.99279	0.2
63.00729	0.2
69.21301	0.6
69.21704	0.3
72.99305	2.8
79.95736	3.3
95.95258	0.7
96.96009	100.0
97.06568	0.4
98.95578	0.5
101.02419	0.3
137.09718	1.1
163.00745	1.4
175.04054	0.2
181.08752	0.8
187.09831	0.2
197.35376	0.2
199.09750	1.2
217.05368	1.5
217.14330	0.2
222.62270	0.1
231.31992	0.2
243.08679	1.2
261.04361	21.3
261.09875	0.9
262.04648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
59.01377	4.2
60.99308	3.6
69.88059	1.8
69.88416	2.1
72.99306	100.0
73.02945	2.3
74.02475	4.1
83.05000	1.6
87.04520	2.2
88.36874	0.8
95.05021	3.4
97.06594	16.8
99.04504	2.6
101.02441	14.9
101.06089	2.9
111.04536	1.5
111.45299	1.0
113.06093	2.0
115.07653	2.5
116.03553	1.8
125.06094	2.2
131.03755	1.3
132.04578	2.2
135.08174	2.0
137.09718	46.0
143.07141	1.5
153.09215	2.7
155.10757	6.2
163.07600	2.3
175.08850	1.4
181.08720	8.9
187.09828	3.6
187.57161	1.0
191.17355	1.2
197.08107	1.4
199.09755	46.3
200.10262	1.2
225.07610	1.6
233.49083	1.0
243.08722	53.2
244.09119	1.5
261.09796	45.9
262.10123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.2
60.99313	0.7
69.08211	4.6
69.08561	0.7
72.99301	89.9
83.05012	0.9
95.05003	0.9
96.95999	1.0
97.06567	2.8
98.22691	1.3
99.04515	1.0
101.02428	1.8
101.06100	0.7
125.09694	3.8
137.09712	13.0
155.10771	28.0
157.08679	1.2
161.06044	0.8
171.10251	14.8
181.08664	4.2
187.09723	2.4
199.09735	15.2
217.10754	2.6
217.14447	1.1
225.07678	15.9
243.08705	16.7
249.39030	0.7
261.04114	5.2
261.09760	100.0
262.10089	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	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.7
59.01372	3.5
65.40253	1.4
68.48193	1.8
69.03443	5.2
70.02971	11.0
71.01365	3.5
82.02992	1.6
85.02949	65.0
86.02464	3.1
87.04497	7.9
96.00945	2.8
96.04546	100.0
97.02947	8.1
98.02469	4.8
99.00867	3.4
102.61529	1.4
108.90192	1.6
110.02516	2.5
110.89887	8.3
111.04528	3.5
112.04069	3.2
112.89634	5.3
115.04008	3.7
126.05606	2.9
128.03525	7.9
129.01927	21.8
138.05560	5.2
139.03976	3.3
140.03511	4.7
141.01904	4.8
142.01456	60.9
144.02979	2.7
150.82251	1.5
158.04591	21.1
159.02953	3.2
172.02505	14.2
183.02890	1.7
184.00172	2.7
185.99997	2.9
202.03545	9.5
219.05087	3.4
262.05618	19.1
262.08368	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0559
Annotation	7-Acetoxy-5,6-dimethoxycoumarin
Peak:m/z	Relative Intensity
59.01367	1.6
69.46232	1.0
69.46631	1.3
71.01404	0.5
83.01424	0.4
85.02979	0.6
95.01360	0.7
95.04033	0.5
95.05013	2.6
101.02422	1.1
110.00089	0.6
118.04307	0.5
119.05064	0.4
121.06586	1.2
123.00886	8.1
124.01662	6.8
133.02968	0.9
134.03743	1.2
137.02477	0.5
142.05016	0.4
145.06575	1.5
146.03740	2.4
147.08185	0.8
151.76561	0.5
153.67441	0.4
157.06635	0.9
158.03725	0.7
159.04388	0.6
161.02420	4.2
162.03224	17.7
163.03935	0.7
163.07671	0.8
173.02414	0.5
173.06007	3.0
174.03203	0.7
175.04073	2.1
175.07646	2.9
176.04759	0.7
189.01904	0.5
189.05554	1.5
190.02710	100.0
191.03131	2.2
191.07159	1.8
193.76917	0.5
201.05524	1.6
217.05048	1.6
218.05611	0.7
219.06613	63.9
220.06941	1.6
231.55943	0.5
245.04541	4.4
253.12885	0.4
260.39984	0.4
263.05582	42.1
264.05951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0559
Annotation	Ancistroquinone D
Peak:m/z	Relative Intensity
55.26351	0.9
59.01359	3.2
63.31326	0.8
121.76154	0.9
123.04594	1.4
162.12228	0.9
175.03972	1.0
176.04741	10.8
191.03513	1.6
192.04289	2.2
203.03468	1.4
205.01411	8.5
219.00789	1.3
219.02982	49.4
220.03749	89.4
221.04005	2.7
233.00952	3.0
248.03244	71.5
249.03615	2.9
263.05591	100.0
263.09140	9.9
264.06015	3.4
268.88144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0592
Annotation	SULFAMERAZINE
Peak:m/z	Relative Intensity
59.01360	0.3
60.23632	0.2
69.21550	1.3
77.89393	0.2
79.95723	3.1
79.96140	0.3
80.96504	0.3
83.17136	0.2
90.05622	0.2
95.95190	1.6
96.96008	82.2
98.95592	1.5
98.96461	0.3
122.03748	0.3
139.11279	0.4
165.02266	2.5
183.10251	8.5
184.10583	0.3
219.06946	7.5
235.06361	0.3
245.04868	2.1
263.05930	100.0
264.06323	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45040	0.3
51.66324	0.3
59.01376	100.0
70.86608	0.3
71.01380	0.7
73.02957	1.2
83.01395	0.6
85.02962	0.6
93.03420	0.4
95.38134	0.3
96.96007	0.4
98.22659	0.9
101.02465	0.4
110.55775	0.3
113.02468	0.9
114.06564	0.3
123.00824	0.3
136.02608	0.3
137.02484	0.9
143.03471	0.5
152.08678	0.4
162.03212	1.7
173.06084	0.5
175.04001	4.3
175.07605	0.5
190.02840	0.6
190.06300	2.8
191.07080	1.7
201.12895	0.4
204.11563	0.8
219.06584	5.8
219.14006	0.7
224.90804	0.3
229.17421	0.4
242.34583	0.4
263.02570	0.4
263.05560	4.9
263.12906	2.7
277.30441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	1.6
66.19866	0.9
82.67879	0.9
89.31284	0.8
101.02454	1.0
134.89433	0.9
152.91814	1.0
174.25999	1.0
219.17580	1.1
238.81870	0.9
263.12982	2.1
263.16486	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87484	0.4
59.01375	100.0
59.06676	0.5
60.01725	0.8
69.42201	0.8
69.42593	1.2
71.40996	0.5
73.02941	1.0
83.01392	0.5
90.54797	0.4
101.02456	0.6
186.00157	0.5
191.03543	0.7
263.01895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68332	0.5
59.01378	100.0
60.59329	0.5
69.27956	2.0
71.01405	0.6
73.02960	1.3
80.78605	0.5
80.96529	2.2
101.02477	0.7
165.20230	0.6
217.80333	0.5
263.06213	0.6
263.12979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46768	0.5
57.19326	0.5
57.40453	0.5
57.77003	0.6
59.01379	100.0
70.26785	1.5
73.02946	1.3
78.80679	0.6
80.61441	0.5
83.01411	0.9
116.97212	0.6
120.79493	0.7
263.12894	1.7
263.16400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
64.36102	0.5
69.19190	1.4
69.19589	1.7
71.01392	1.0
73.02938	0.7
86.46844	0.5
89.02479	0.6
98.22713	0.8
101.02463	0.7
119.08998	0.5
258.33255	0.5
263.05582	0.7
263.13144	1.9
263.16397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58646	1.0
59.01377	100.0
65.53699	0.8
71.44893	0.8
89.20825	0.9
99.00874	1.1
149.89946	0.8
151.55025	0.7
152.38892	0.8
190.02631	0.8
213.13930	1.7
219.06561	1.2
263.05496	3.1
263.12784	1.2
263.16534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93596	1.9
59.01377	100.0
61.98835	3.2
69.30033	3.7
69.30431	8.6
71.21311	1.9
71.55900	1.8
73.02968	2.1
73.09222	1.9
161.84488	2.0
235.13547	2.1
247.85825	1.9
263.12936	5.7
263.16406	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	263.1134
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01879	6.9
57.03445	6.1
57.34462	0.8
59.01378	58.6
59.05575	0.7
68.81261	0.7
70.43414	1.3
71.01380	100.0
71.05018	25.1
71.05413	1.2
72.99305	5.9
73.02944	36.4
73.06583	4.7
75.00871	1.9
81.03483	1.1
83.01389	12.9
83.05022	14.4
83.05486	1.2
85.02950	50.4
87.00880	4.2
89.02444	18.8
95.01389	8.7
95.05022	0.7
97.02962	2.9
98.61107	0.7
99.00879	11.9
99.04523	2.1
101.02444	61.0
101.06079	48.0
109.41267	0.7
110.15758	0.6
111.00883	0.8
111.04574	0.6
113.02447	39.3
119.03487	4.7
121.02946	0.9
123.04498	0.7
125.02485	2.0
129.01968	1.6
129.05646	0.7
132.67563	0.7
135.01556	0.7
139.07660	1.0
142.74652	0.7
143.03539	3.3
143.07172	0.8
147.06796	1.3
149.06056	0.9
155.07169	1.1
159.02982	8.1
159.06683	0.9
161.04553	27.2
173.08224	1.5
180.94839	0.9
205.03723	0.7
245.00974	1.0
245.06679	2.1
245.10341	2.3
263.08133	1.2
263.11411	13.3
271.40164	0.7
280.50858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1286
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
57.03458	3.1
59.01376	13.2
69.57166	9.1
71.01362	7.3
72.01017	2.2
78.42021	2.1
83.05032	4.1
97.02943	14.7
97.08239	2.4
99.75709	2.4
105.07086	4.6
108.05807	7.5
109.02948	4.1
109.06554	3.9
111.04504	16.4
111.08127	4.4
113.06109	15.7
119.08688	3.1
119.63428	2.1
121.06564	4.1
122.03745	12.6
123.08118	9.1
125.06084	31.5
135.08199	2.8
136.05342	13.1
137.06094	7.5
138.06874	24.2
139.07654	37.6
148.05281	9.7
149.06071	5.5
151.07626	81.6
152.04747	8.8
152.08426	34.9
153.09195	15.2
159.11784	4.1
161.09679	9.4
163.07658	16.1
164.08418	3.6
167.07094	4.8
170.05890	3.0
185.09691	3.1
186.10506	4.8
189.09161	5.8
201.12846	32.1
203.10756	27.3
204.11528	68.2
219.13881	100.0
220.14073	3.3
238.12334	2.3
248.10507	2.7
263.12811	11.5
283.52646	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.32289	0.6
53.26921	0.6
58.90588	0.6
59.01373	1.8
60.05070	0.6
69.36728	2.6
70.63790	0.7
71.01389	0.7
80.93985	0.6
97.02930	1.4
104.36925	0.8
123.04528	2.2
134.89478	1.8
163.14911	0.6
209.80525	0.7
219.17538	1.6
219.21185	1.0
221.19113	0.9
235.20627	0.8
263.20157	100.0
264.20450	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	264.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32582	12.1
56.72923	11.4
59.01372	94.7
71.01385	67.1
71.98447	12.5
73.02934	34.4
78.45410	12.9
85.02932	35.9
89.02473	28.0
92.22627	13.5
101.02412	58.2
113.02431	43.4
156.75420	15.1
161.04543	29.8
164.07129	13.7
178.05025	16.2
198.20592	14.6
206.88708	15.8
264.11533	25.8
265.07153	24.7
265.12326	100.0
280.82297	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	264.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52449	12.0
59.01368	37.3
61.87248	12.7
61.98816	48.9
62.63139	13.1
66.65561	12.7
67.81924	12.1
70.18745	18.8
70.19081	22.9
87.41860	11.6
94.93750	14.4
120.60672	12.0
128.52789	12.7
151.00372	23.9
157.23958	13.0
178.09805	14.5
192.19563	12.7
221.11902	67.3
250.12068	23.2
264.16629	17.5
265.12186	69.4
265.14722	100.0
265.17300	16.7
265.18192	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
69.69228	1.4
69.69624	1.3
71.01381	4.7
72.99300	1.1
75.00861	4.0
85.02948	3.1
87.00875	16.6
93.03484	0.8
95.01443	0.8
99.00874	2.0
106.04277	1.4
112.01663	1.3
113.02457	2.4
119.04991	1.6
121.02968	1.6
129.01898	0.8
131.34938	0.7
133.02957	7.3
134.03740	100.0
135.04077	2.0
137.02446	8.6
139.04013	2.9
140.02989	1.1
149.02467	2.0
149.06076	20.6
160.01617	1.4
161.02405	0.8
162.03214	7.6
165.01909	1.7
175.03992	2.5
177.01935	3.3
177.05551	2.1
178.02708	44.7
193.05051	71.5
194.05331	2.3
203.10742	0.7
206.02205	14.1
206.70439	0.7
213.54576	0.7
221.04599	11.3
221.55765	2.6
245.09760	1.1
247.11322	1.9
249.06261	1.6
252.06378	2.5
265.03522	7.5
265.06613	1.2
265.07339	1.2
265.12271	13.0
265.14560	1.3
267.06653	1.4
267.08746	3.2
268.09045	1.0
268.37314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16936	0.7
59.01357	2.5
63.08018	0.6
69.71331	2.2
71.01377	2.5
72.99310	6.6
83.01415	2.9
84.02168	1.9
85.02985	0.7
90.91487	0.6
92.72559	0.6
96.90013	0.6
97.02905	0.7
98.21988	1.3
112.72098	0.7
121.02766	1.2
123.08163	0.7
124.01664	3.3
125.06063	1.9
125.09711	2.0
127.05492	0.6
127.07635	0.6
134.03745	2.8
135.08176	0.8
137.02205	1.0
139.03908	2.1
147.04291	1.2
151.07603	2.1
153.05553	2.4
153.09160	0.8
162.06828	1.2
163.03827	0.9
163.07564	1.0
165.01816	0.7
165.05347	4.8
166.07921	0.6
167.07047	3.1
168.00572	0.6
169.05026	1.0
175.58743	0.6
177.05458	1.0
179.07094	5.8
181.04820	0.9
183.02950	2.7
191.06894	9.3
193.04808	91.7
193.08479	2.5
194.05238	1.9
195.06596	10.5
197.08205	3.6
201.05290	2.3
203.06903	2.2
207.06387	1.0
209.07968	1.3
217.04799	8.7
219.06355	9.6
221.08012	1.8
229.04808	2.1
237.07414	7.3
245.09692	0.8
247.05849	3.8
247.11259	2.3
265.06918	100.0
265.12155	13.6
266.07278	2.6
266.12842	0.6
283.30734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0716
Annotation	Luisol B
Peak:m/z	Relative Intensity
55.48170	0.6
56.42420	0.4
68.99811	0.6
69.30041	1.7
69.30448	1.1
69.89745	0.4
72.54927	0.5
73.17604	0.4
78.46214	0.5
85.02950	0.7
92.34998	0.5
95.01392	4.0
97.06586	3.0
98.21784	0.5
110.00072	0.8
111.00859	0.7
121.06603	1.0
123.00882	31.1
124.01658	57.4
125.01985	1.1
131.08649	0.5
133.06580	0.9
135.04570	0.7
137.02408	0.8
142.35294	0.5
146.03726	2.1
147.08192	0.8
149.02443	8.0
149.06056	1.9
150.03214	2.8
161.02446	6.8
162.03146	0.9
163.04015	7.2
164.01157	1.3
164.04710	1.2
165.05551	5.2
168.00629	1.5
173.06100	0.8
174.03281	1.1
175.07632	2.4
177.05602	5.2
178.06345	4.5
179.07092	1.5
189.01941	2.1
190.02661	1.8
191.03444	1.0
191.07140	1.2
192.04245	1.7
193.01404	1.2
193.08693	0.8
201.05392	1.1
203.07127	1.6
207.02950	1.6
218.02180	7.7
219.02618	0.7
219.06616	2.2
236.03235	8.2
247.06091	18.5
248.06413	1.0
265.07144	100.0
266.07510	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
59.01375	100.0
67.01887	1.5
70.67947	1.8
71.01375	56.0
72.99312	1.4
73.02956	2.6
76.33099	1.0
83.01395	2.0
85.02948	11.0
87.00898	1.8
89.02440	66.8
95.01395	3.5
99.00896	2.2
101.02438	34.2
101.03098	2.4
103.04025	3.6
111.00866	1.5
113.02444	22.4
119.03497	32.7
119.04321	2.3
120.22604	1.1
123.00882	4.0
129.01949	3.0
131.03513	2.3
140.09271	1.2
143.03537	3.6
149.04546	3.1
161.04539	2.6
174.88173	1.0
179.05588	3.5
179.11725	1.0
232.90797	1.1
247.11348	2.7
265.09329	44.2
265.12299	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	265.1438
Annotation	Rugosal A
Peak:m/z	Relative Intensity
59.01377	0.7
69.58146	0.9
79.95742	0.5
85.88580	0.3
87.00881	0.4
95.01383	0.9
96.02172	5.7
96.96008	24.2
99.76427	0.2
111.00896	1.0
123.00877	2.6
124.01656	9.2
128.01251	0.3
138.03224	0.4
148.72423	0.2
151.00401	0.6
152.01147	10.6
153.01852	0.4
165.01915	0.9
166.02702	2.5
167.14410	0.8
176.04778	0.3
179.03503	0.3
184.00078	1.1
193.15804	0.3
197.46535	0.3
223.13177	0.3
237.14934	7.4
265.14490	100.0
266.14819	4.2
272.36261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1442
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.34005	0.3
58.54191	0.3
66.21893	0.3
69.32631	1.4
80.45587	0.3
95.01389	1.0
96.02166	6.7
111.00845	0.9
123.00881	2.5
124.01665	11.7
138.03197	0.4
152.01144	11.3
153.01846	0.5
165.01959	1.1
166.02701	2.3
167.14337	0.5
184.00137	0.5
193.15955	0.6
237.14984	8.0
265.14426	100.0
266.14771	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
54.63363	1.0
55.80326	1.4
59.01392	1.4
91.91733	1.4
96.96023	1.5
97.68237	1.3
102.99573	1.3
106.04256	4.4
119.04999	2.0
121.02955	3.8
184.00995	2.1
191.14389	4.6
203.14384	3.5
219.13902	47.0
220.14172	1.7
221.15453	100.0
222.15936	2.6
224.08426	1.7
245.09729	3.2
247.11229	11.0
265.12195	47.3
265.14462	94.1
266.12390	2.9
266.14804	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	265.1444
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.91711	3.4
52.61038	4.0
59.01368	8.8
60.48700	4.1
68.40121	3.7
76.86610	4.2
78.21690	4.2
90.11954	4.1
91.51635	3.6
115.92076	5.1
119.02120	4.4
124.01644	8.9
151.95262	4.9
152.01125	6.9
184.01044	5.4
185.56812	4.2
187.60783	4.2
189.12883	4.6
195.13847	10.1
221.15413	9.4
233.11827	12.9
237.14792	5.6
247.11191	16.1
265.12219	98.5
265.14502	100.0
266.14780	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	265.1443
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
55.01850	2.8
55.97546	1.3
56.84769	1.3
56.86325	1.3
57.01516	1.3
59.01363	4.6
71.45403	1.5
110.12681	1.4
141.47305	1.5
155.67717	1.2
165.12830	2.0
184.00998	2.1
203.14412	18.5
216.76852	1.4
221.15439	3.3
229.12250	2.2
245.09752	2.6
247.11339	5.0
247.13387	78.2
248.13733	2.1
265.12167	33.3
265.14432	100.0
266.14841	3.8
278.08453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46815	0.2
50.75787	0.2
61.82867	0.2
69.44043	0.7
69.44437	0.3
79.67271	0.2
87.00844	0.3
95.01398	0.6
96.02161	3.4
96.96004	2.8
99.64345	0.2
107.60541	0.2
108.02180	0.5
109.02948	7.6
110.03751	2.0
111.00855	0.5
117.58614	0.2
123.00890	1.6
124.01661	7.9
125.02433	0.4
137.02437	19.7
138.03230	8.3
139.00308	0.3
142.02731	0.3
149.88904	0.2
151.04007	3.2
152.01135	7.1
152.04741	0.8
161.70700	0.3
165.01945	0.7
165.05527	0.6
166.02689	1.4
167.14276	0.3
179.07210	0.3
184.00084	0.4
193.08667	1.4
207.10281	0.5
221.11761	0.3
221.15497	0.5
221.19095	1.3
222.12671	0.3
237.14935	3.8
249.14954	1.8
250.15715	100.0
251.16098	3.9
259.97806	0.2
262.02695	0.2
265.14432	55.1
265.18027	28.1
266.14807	2.1
266.18195	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	Subamolide E
Peak:m/z	Relative Intensity
50.92119	0.2
59.01371	0.4
59.33779	0.2
69.03429	0.2
69.25032	1.1
76.90002	0.2
80.02676	0.5
83.05048	0.4
94.11392	0.2
95.01397	0.6
96.02176	4.5
96.96011	3.0
98.21886	0.6
111.00887	0.7
122.99562	0.4
123.00885	19.3
124.01663	34.2
125.01898	0.3
136.89180	0.3
137.02455	1.6
138.03239	0.3
139.00244	0.3
151.00423	0.3
152.01164	6.2
156.00612	0.6
165.01933	0.6
166.02733	1.7
167.14420	0.4
184.00043	0.4
193.16003	1.3
195.17525	10.4
196.17903	0.5
237.14941	4.8
250.15634	0.3
265.12350	2.1
265.14514	58.4
265.18082	100.0
266.14801	3.4
266.18423	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	265.1807
Annotation	Subamolide E
Peak:m/z	Relative Intensity
50.93394	0.2
54.65625	0.2
55.87058	0.2
61.04951	0.2
64.23552	0.2
70.66135	0.3
79.10176	0.2
79.95785	0.2
80.02660	0.4
96.96004	6.4
123.00879	14.5
124.01658	21.4
125.01942	0.3
137.02409	1.2
150.36656	0.2
156.00592	0.5
184.00981	0.6
193.15977	0.8
195.17513	8.6
196.17830	0.5
221.19122	0.3
237.15054	0.2
245.09798	0.3
247.11301	0.8
265.12515	5.3
265.14850	6.7
265.18048	100.0
266.15463	0.5
266.18387	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
57.03448	20.6
58.48790	0.2
59.01373	0.3
71.05023	0.8
71.43963	0.2
77.40841	0.2
80.02690	1.5
81.03453	0.3
84.02168	9.0
86.70138	0.2
96.96010	10.0
107.96185	0.2
116.41834	0.2
123.00880	1.3
124.01639	1.4
131.62177	0.2
133.02968	0.2
136.89172	0.2
162.83888	0.5
184.00999	0.4
193.31068	0.3
195.17509	0.7
203.20923	0.2
205.15836	0.3
207.17470	0.3
209.19189	0.4
223.20656	2.8
233.19118	1.6
237.15031	0.2
237.22171	0.9
245.09657	0.4
247.11304	0.9
247.20659	10.3
248.20982	0.3
265.12259	4.2
265.14737	10.0
265.18253	6.2
265.21710	100.0
266.15186	0.4
266.19016	0.3
266.22043	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	266.0894
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.32714	0.1
57.03429	0.1
57.07561	0.1
59.01392	0.6
65.01440	0.1
69.78732	0.1
70.32555	0.1
71.01391	0.3
71.46133	0.1
92.02537	1.2
99.00876	0.2
107.03638	4.5
107.04339	0.3
113.02440	0.2
134.04736	100.0
135.05142	1.2
158.16078	0.1
184.01013	0.9
188.36002	0.2
247.83371	0.2
248.72986	0.1
266.08890	6.4
266.12616	0.7
267.07117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14763	1.0
59.01367	4.8
71.01360	1.4
72.99305	7.5
78.65205	1.1
85.02940	1.2
99.04547	2.7
105.07084	4.6
107.67525	1.1
112.46051	1.1
113.02498	1.7
115.05486	3.5
118.04195	1.3
123.04528	1.5
124.89793	1.1
131.05009	1.4
133.06590	10.7
134.03734	9.8
135.04552	5.6
137.02475	2.1
147.04521	21.3
149.06120	1.6
150.03217	1.8
151.04016	2.7
158.36618	1.3
161.32635	1.0
162.03200	7.5
162.32433	1.1
163.03984	15.6
164.04790	30.8
165.01889	1.6
167.03474	4.3
171.37610	1.1
177.05571	8.8
178.02576	2.7
179.03371	1.2
179.07045	5.4
193.05075	4.4
205.05032	3.6
206.02191	17.3
207.02824	1.0
208.03754	25.3
209.04237	1.1
221.04541	100.0
222.04871	2.7
223.06119	23.9
249.04028	35.1
250.04369	1.4
267.05054	52.6
267.07220	2.4
267.16068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.38134	1.0
55.01860	0.9
57.03434	3.4
59.01377	23.1
71.01378	30.0
72.99299	3.4
73.02927	1.4
75.00871	12.7
78.95850	1.0
82.31250	0.9
83.01390	1.6
83.81724	0.9
85.02948	28.4
87.00871	12.3
88.04021	2.2
89.02454	9.3
91.04028	1.4
95.01382	4.4
96.95997	5.6
99.00874	8.8
103.00378	2.1
111.00885	1.3
113.02448	37.1
113.03614	1.7
114.01983	1.6
115.00398	1.9
117.01940	3.0
129.01978	1.1
131.04601	3.5
132.03043	4.2
146.66454	0.9
175.02434	2.3
207.05110	2.0
249.06093	5.4
267.07199	100.0
268.07578	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0873
Annotation	Botryolide C
Peak:m/z	Relative Intensity
55.01872	1.5
55.58751	0.9
57.64756	0.9
59.01364	4.3
65.45606	0.9
71.01396	1.3
85.02968	1.2
87.87981	1.1
109.02968	1.3
110.03754	1.4
123.00869	1.7
123.04514	6.5
124.01700	1.1
135.04543	2.8
137.02449	15.9
138.03224	2.0
139.04028	5.4
148.05302	1.2
150.03224	3.0
151.04021	11.6
152.04735	1.2
153.01953	1.2
156.91222	1.1
162.06915	1.2
163.04074	1.1
163.07646	11.2
165.01970	1.5
165.05544	2.3
166.02693	2.0
167.03491	47.4
168.03874	1.0
177.05537	6.3
179.03496	63.3
180.04185	3.6
180.07864	1.6
189.05635	2.2
190.06377	6.8
191.07138	59.9
192.07683	1.7
193.05034	4.6
195.17471	1.3
205.08734	5.0
207.06621	7.1
208.07393	81.8
209.07764	1.1
212.06859	1.2
217.05019	1.1
220.07411	2.4
223.09860	2.3
223.13382	2.3
224.06888	3.9
235.06059	7.4
249.15190	1.1
252.06375	71.5
253.06757	2.9
267.08728	100.0
267.11755	3.5
267.15842	5.5
268.09003	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	267.1025
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
58.15163	1.2
59.01373	1.8
60.66919	1.1
61.98806	1.6
69.91359	1.2
70.56900	2.5
78.01104	1.3
92.74893	1.4
103.01443	1.5
125.99557	2.0
139.00356	1.7
149.61456	1.4
167.14406	4.0
179.93829	1.3
185.01065	3.4
194.59746	1.4
195.17508	3.5
197.06062	5.5
205.15996	3.5
237.05562	100.0
238.05893	4.9
251.07167	10.4
252.07904	49.0
253.08191	2.0
258.42026	1.5
267.10248	70.2
267.15967	33.5
268.10553	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	267.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04523	0.6
55.01873	2.2
57.03440	1.6
59.01377	100.0
60.01690	0.9
61.98826	14.0
61.99127	1.3
64.34991	0.6
70.77256	0.8
71.01377	29.9
73.02937	9.9
73.43902	0.6
75.00873	1.2
83.01395	4.1
85.02949	12.7
87.00878	2.6
89.02441	16.4
95.01398	2.3
99.00880	3.1
101.02442	26.0
105.05571	5.5
113.02453	16.4
119.03501	5.9
125.02438	0.9
131.03525	0.8
135.03096	0.8
143.03551	1.4
153.58104	0.7
159.03033	1.5
161.04547	15.6
161.05800	0.9
179.05547	0.8
182.37083	0.6
207.08809	1.7
214.61691	0.6
231.41278	0.8
267.07404	4.6
267.10950	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	267.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01091	0.3
62.08113	0.3
66.75262	0.2
67.50830	0.2
77.14093	0.3
78.13406	0.3
80.02689	1.4
81.03455	0.7
83.05004	1.2
91.06308	0.2
97.77904	0.2
111.33579	0.2
120.20723	0.2
124.08776	0.2
125.09183	0.2
159.22099	0.3
165.12834	4.8
166.13208	0.3
167.14403	100.0
168.14745	2.7
211.13397	1.7
223.13388	4.4
239.12874	18.7
240.13177	0.8
240.42595	0.2
267.12372	15.2
268.12720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1597
Annotation	Dendocarbin D
Peak:m/z	Relative Intensity
51.96821	0.3
53.87534	0.3
54.01084	0.3
64.95724	0.3
69.03459	0.3
80.02660	1.6
81.03462	0.8
83.05016	1.9
88.14308	0.2
193.15993	4.9
195.17528	100.0
196.17886	3.2
205.11465	0.3
239.16554	2.1
267.16000	34.8
268.16357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1601
Annotation	Dendocarbin D
Peak:m/z	Relative Intensity
54.01103	0.6
58.34863	0.3
59.01384	0.4
65.70845	0.3
69.31927	1.1
73.53842	0.3
80.02686	2.0
81.03429	0.5
82.12585	0.3
83.05025	1.5
98.21853	0.5
113.45717	0.3
189.87660	0.3
193.15970	4.7
195.17525	100.0
196.17839	3.1
239.16492	2.2
267.16000	36.5
268.16302	1.1
284.52289	0.3
289.14267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98815	0.3
71.97430	0.3
76.93840	0.3
78.01101	6.7
84.02163	0.4
84.99287	0.5
87.75279	0.3
96.99292	1.3
103.01465	0.4
111.00877	0.7
124.98808	0.7
125.99579	6.9
139.00386	3.7
140.01144	0.9
140.98262	0.3
143.11780	0.3
165.16451	0.4
167.14470	0.5
181.15976	1.2
183.17540	1.2
185.01202	0.4
195.17526	0.9
205.15970	14.0
211.17029	0.8
223.17122	0.6
237.05573	1.5
252.07912	0.5
267.15988	100.0
268.16318	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	267.1963
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
53.91734	0.3
57.03434	0.5
59.01370	0.3
61.98799	0.2
69.83989	0.4
69.84378	0.5
70.39552	0.2
83.05011	0.6
98.22649	0.4
99.08158	1.8
111.08130	0.3
121.03088	0.3
139.00357	0.4
146.96031	0.2
165.12866	2.4
167.10805	0.5
187.62497	0.2
195.17554	2.5
202.39569	0.2
223.20610	1.1
267.16278	4.6
267.19629	100.0
268.19952	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	267.1964
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01874	1.8
59.01365	4.0
59.39634	1.0
61.98835	1.2
69.03445	5.0
71.05027	12.4
80.02671	1.5
81.03448	1.9
83.05024	2.0
85.00429	1.0
95.01466	1.2
97.06583	1.5
98.95589	2.0
103.01494	2.5
149.63914	1.3
178.99857	1.3
185.54872	1.2
187.68800	1.2
191.28421	1.2
193.15884	1.9
195.17535	12.6
209.04413	1.7
221.19086	5.1
222.98888	1.1
223.20663	100.0
224.21031	4.5
233.99289	1.1
267.16125	4.0
267.19632	77.1
268.19962	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	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42847	0.9
57.03438	3.0
59.01368	3.4
68.99794	1.6
80.02684	2.3
81.03471	1.4
83.05021	9.9
98.95602	1.1
103.01468	1.2
107.01411	1.1
108.35197	0.8
111.15485	0.9
193.15948	4.4
195.17525	93.8
196.17923	3.8
207.17641	1.5
223.20665	100.0
224.21130	4.3
239.16512	4.2
251.86499	1.1
267.15997	33.0
267.19614	22.0
267.22617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88688	0.4
59.01374	3.0
61.98829	100.0
66.68982	0.6
71.01384	1.3
71.42885	0.6
72.99306	0.5
78.95913	0.7
86.65379	0.5
96.96020	1.4
102.25459	0.5
111.57808	0.5
123.14600	0.5
130.08713	0.6
135.03117	1.3
136.03563	0.7
152.51213	0.5
254.89430	0.6
268.07568	2.6
269.03424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.8
57.03436	7.8
59.01377	69.6
66.00434	1.3
69.03431	1.5
69.17651	1.3
70.66263	1.3
71.01379	100.0
72.01698	1.1
72.99303	3.8
73.02943	44.5
75.00858	2.6
81.03477	1.4
83.01384	16.7
83.05021	3.7
84.02151	2.6
84.29984	1.2
85.02948	54.4
87.00881	8.4
89.02476	6.4
95.01375	6.3
97.02942	4.7
99.00878	14.9
101.02440	80.2
107.05058	2.6
109.02995	1.5
109.06523	1.4
111.04530	1.4
113.02448	39.4
121.02926	1.3
121.66968	1.2
123.08177	1.4
124.01665	2.7
125.02477	1.7
125.09727	2.2
135.08159	4.7
143.03459	3.5
149.06232	1.4
151.03896	1.2
153.09212	17.0
153.12827	1.6
159.02989	8.0
161.04550	32.6
163.07675	1.5
177.22075	1.3
179.10774	1.9
182.02737	3.2
189.09209	2.6
191.70911	1.2
197.11957	1.7
207.10286	9.6
219.59860	1.3
225.05614	1.5
225.11313	13.4
225.32451	1.2
226.01923	1.4
251.09189	2.4
269.04550	5.8
269.10309	58.4
269.21216	1.4
270.10648	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	269.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01353	0.7
52.68542	0.7
55.01875	11.7
57.03442	7.6
58.00584	1.2
59.01377	72.6
68.99776	1.4
69.03455	1.1
71.01379	100.0
71.42936	1.2
72.99300	1.8
73.02944	42.4
75.00870	1.4
83.01381	17.6
85.02947	54.5
86.00105	1.4
87.00858	5.1
89.02445	4.4
95.01373	7.6
97.02934	2.5
99.00870	16.2
101.02438	82.1
107.05042	2.5
113.02446	40.6
113.03252	1.7
125.02460	2.0
129.01955	2.2
129.42818	0.8
131.03456	0.7
143.03445	2.2
159.02982	8.5
161.04549	31.3
185.02446	1.2
197.06093	1.9
208.35115	0.8
225.05579	2.5
227.03381	2.4
233.36267	0.8
241.05179	1.0
269.04535	13.6
269.10342	9.2
269.13080	1.4
269.21240	1.5
269.24933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.4
57.03448	8.7
58.00560	1.1
59.01378	70.1
69.03475	1.3
71.01383	100.0
72.99303	3.6
73.02946	48.1
75.00880	1.7
81.35759	1.0
83.01387	19.9
85.02951	56.9
86.00089	1.9
86.03281	1.1
87.00869	4.3
89.02451	7.0
95.01381	7.7
97.02950	3.8
98.21871	2.7
99.00877	16.4
101.02443	91.5
102.02800	1.2
107.04974	1.1
111.00916	1.0
113.02451	44.7
114.02792	1.5
125.02428	3.0
126.97779	0.9
129.01952	2.1
135.51312	0.9
137.02490	1.4
143.03505	3.4
147.61971	1.0
153.09212	9.0
159.02995	8.7
161.04552	34.6
163.11301	1.4
165.05577	1.1
181.08763	1.9
193.05029	3.3
207.13898	1.5
210.05457	1.3
225.11267	3.1
269.04477	2.5
269.07117	1.9
269.10349	15.0
269.24738	0.9
270.33969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23026	0.5
57.03446	1.1
57.50035	0.5
58.00584	1.1
59.01374	1.1
61.50995	0.5
69.03429	0.9
69.89449	1.2
71.01376	20.2
72.99316	2.8
73.02944	3.5
78.58198	0.5
81.03448	0.6
83.01396	1.1
83.05013	1.5
84.02134	3.1
85.02941	3.8
87.00880	0.9
95.01385	0.6
95.05011	2.6
96.02150	0.7
97.02966	1.4
97.06512	0.7
98.03741	0.8
98.22601	0.8
99.04488	1.4
101.02437	0.8
107.05017	1.2
110.03750	1.3
121.02932	3.5
122.03722	1.1
123.04525	0.7
123.08154	3.5
124.01656	5.6
125.09724	3.7
133.06604	0.6
134.03743	1.5
135.08162	9.5
137.02440	0.7
138.03178	1.2
141.01962	0.9
148.05286	0.7
151.11241	1.0
153.09207	32.2
154.09483	0.7
161.09720	1.9
163.11325	1.3
167.10748	1.5
171.08125	0.5
179.07185	0.9
179.10747	4.4
189.09186	7.7
197.08206	2.1
207.10263	12.4
218.69682	0.5
223.09828	0.8
225.05547	1.0
225.11308	23.0
226.11641	0.7
233.08270	0.8
234.84052	0.6
251.09222	5.1
269.04446	3.0
269.10291	100.0
270.10590	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	269.103
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
53.46600	1.0
59.01075	2.1
59.01377	44.0
69.03439	2.8
71.01373	1.7
72.99296	7.5
81.07098	16.7
84.02178	2.5
95.23412	0.9
107.05018	2.2
118.96095	1.0
119.08661	2.3
120.99639	2.7
121.10239	15.2
122.70357	1.0
135.08186	1.6
137.09741	8.2
139.11319	1.6
147.08171	6.8
163.07637	2.5
165.09206	59.6
166.09523	2.2
181.08644	1.2
183.10257	100.0
184.10547	2.4
191.07159	1.4
209.08183	20.3
225.11224	1.4
227.03362	1.1
227.09244	44.7
228.09477	1.6
254.63033	1.1
269.04568	4.7
269.07523	1.8
269.10287	19.2
289.14825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27973	0.3
67.01870	0.3
69.03465	0.4
78.01103	11.9
84.02164	0.3
84.99302	0.4
96.99311	1.5
98.00062	0.4
98.21887	1.0
111.00848	0.9
123.11781	1.6
124.98811	0.9
125.99586	9.0
136.01671	0.4
137.09708	0.4
137.99562	1.4
139.00372	6.9
139.11298	3.2
140.01173	2.3
140.98329	0.6
141.12862	2.3
151.11293	0.4
152.01160	0.7
153.12793	0.5
163.11285	24.9
164.11690	0.6
169.12328	1.3
181.12346	0.5
183.34566	0.3
195.10217	1.6
197.11842	0.4
200.72710	0.3
211.04062	0.4
223.09744	6.9
224.10181	0.5
225.11313	100.0
226.11659	3.6
251.09239	3.4
254.05768	0.4
269.08075	1.1
269.10733	1.5
269.12863	0.4
269.17776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	5.3
62.96403	11.2
69.96198	4.8
69.96523	2.2
72.99303	2.4
79.01921	2.2
85.00420	2.5
98.03703	4.9
98.21846	2.7
101.06108	2.3
105.99686	2.0
124.01628	4.3
137.99553	2.2
152.01144	72.5
153.01906	5.0
167.14378	6.1
169.15968	3.2
181.16046	3.0
181.52147	2.2
186.95570	4.2
195.13864	3.0
197.15460	63.0
223.13362	28.9
251.12822	17.0
269.08151	100.0
269.13437	7.0
269.21124	4.9
270.08539	4.9
282.33685	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72896	1.9
51.10168	1.7
51.95225	1.9
58.28360	1.7
59.01356	2.6
62.96404	3.1
70.69012	2.5
73.25149	1.8
74.47357	1.7
83.13159	1.9
89.02412	2.4
90.97134	2.6
95.70263	1.8
101.31947	2.2
119.06696	2.0
123.89552	1.8
132.98209	4.3
135.77209	1.9
137.99554	25.5
150.48032	2.0
151.07616	2.6
151.14894	6.3
152.01128	5.6
152.91644	2.5
165.12811	3.5
167.14391	34.5
169.15952	34.6
186.95651	8.9
195.13922	4.5
197.15422	20.7
220.54201	2.2
223.13383	23.6
225.14952	28.6
225.17070	3.5
251.12871	100.0
252.13216	3.0
269.08060	4.4
269.13913	91.8
269.21182	4.6
269.24329	1.9
270.14258	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01377	100.0
60.01723	0.4
60.99312	0.5
66.80431	0.4
69.43335	1.8
78.09367	0.4
83.05010	0.8
93.03426	0.4
95.05022	0.5
97.06576	0.9
99.04513	9.3
99.73885	0.4
109.06610	1.0
140.84889	0.4
152.01196	0.6
158.75565	0.4
163.11299	0.7
165.12839	5.5
180.04300	0.5
189.12859	1.4
191.10840	0.7
198.99577	0.5
207.13889	12.9
208.14279	0.7
209.11823	30.0
210.12112	0.6
225.14955	41.3
226.15324	1.8
251.12901	8.1
269.04404	1.5
269.13922	59.6
270.14313	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44645	1.5
57.03444	10.8
59.01373	4.1
68.87753	1.4
69.03451	3.2
69.65311	6.5
71.47131	1.5
85.38307	1.5
98.03736	1.9
98.53249	1.4
102.38721	1.5
132.98190	4.1
152.01154	20.1
152.91725	3.1
153.12833	4.1
169.15971	100.0
170.16365	3.3
172.78415	1.8
186.95589	6.8
197.15472	14.0
199.40782	1.9
217.38765	1.6
225.14961	34.9
269.08179	26.0
269.13885	5.4
269.17722	1.8
269.21167	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	269.1757
Annotation	(10S)-Juvenile hormone III acid diol
Peak:m/z	Relative Intensity
59.01377	2.1
61.98833	1.2
92.92795	2.3
94.92506	3.2
97.19400	1.1
106.67394	1.2
121.02977	1.6
152.01149	4.6
161.40030	1.1
169.16005	1.8
186.85591	5.3
186.92853	1.3
186.95546	8.7
224.08183	1.1
225.18582	100.0
226.18961	3.2
246.09557	1.2
269.08173	9.3
269.17569	44.5
269.21182	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	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
59.01368	0.8
69.03432	0.7
70.30872	0.3
71.01382	23.7
72.99321	1.8
73.02916	0.4
75.17715	0.3
75.64294	0.4
77.89973	0.3
80.02688	0.8
82.82265	0.3
83.01388	1.2
84.02168	5.8
85.60669	0.3
87.00838	0.4
90.97162	0.4
93.03455	0.7
95.05013	0.5
97.02954	0.4
106.04282	0.4
110.03700	0.4
121.02941	1.2
124.01676	4.7
132.98228	0.5
134.03708	2.2
138.03264	0.3
141.01872	0.5
152.01152	2.1
167.14436	2.1
169.15968	4.0
179.14209	0.4
186.95619	1.3
195.17523	2.8
197.15482	44.1
198.15775	1.5
199.16939	0.3
205.15985	1.1
207.17532	1.2
209.15512	0.6
211.17004	3.4
223.16985	2.4
225.14951	1.3
229.73239	0.4
233.15475	1.7
251.16547	5.5
269.08136	3.1
269.17578	100.0
270.17926	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	269.2121
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
55.06156	0.3
59.01363	0.7
66.39618	0.3
72.99321	0.3
73.22169	0.3
79.96702	0.3
83.05027	0.5
83.16256	0.3
85.00440	0.5
107.09535	0.3
152.01158	4.1
153.01952	0.4
186.85568	0.6
186.95625	0.4
197.00597	0.3
197.19164	0.7
221.19041	0.7
223.20673	32.4
224.20998	1.2
225.22308	0.7
251.20161	1.5
269.08185	5.4
269.21204	100.0
270.08319	0.4
270.21561	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	270.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36434	0.7
54.32272	0.7
57.03452	0.9
59.01388	1.5
71.01380	10.0
71.42716	0.7
72.99291	1.0
73.02939	1.1
78.91888	10.3
78.95904	43.6
83.01380	0.9
85.02948	0.9
87.00862	0.8
93.81073	0.6
96.96960	100.0
99.00874	7.4
101.02462	0.7
108.02162	8.5
109.02956	6.8
111.00888	0.7
112.98804	1.7
115.00382	1.1
123.04516	1.0
124.98798	3.1
129.01933	1.0
131.08253	2.2
135.03024	2.7
142.99863	41.2
151.02583	0.6
151.03973	1.1
153.01939	8.2
173.00909	17.7
173.10423	1.6
174.01431	0.6
204.43633	0.7
217.19424	0.7
271.04486	0.9
271.08249	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	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01381	0.8
63.02390	8.4
65.00321	19.0
68.99833	0.6
70.67989	0.8
71.01389	1.3
83.01383	12.7
93.03458	10.9
105.90796	0.5
107.01390	29.9
107.96529	0.5
108.02185	10.1
109.02982	1.3
119.05027	73.2
120.05354	1.6
121.02940	0.7
125.02471	1.5
129.76476	0.6
133.02956	0.9
143.05061	2.7
145.02965	1.6
151.00368	90.1
152.00700	1.2
161.04649	0.9
161.06081	2.6
165.01930	3.9
169.01457	3.2
177.01952	7.7
185.06088	3.5
187.04024	5.2
203.07108	0.6
223.11461	0.6
227.07120	3.6
229.04912	0.9
271.06107	100.0
272.06540	4.3
294.48288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01377	4.6
71.01379	8.5
71.43297	0.4
72.99302	1.1
73.02942	2.8
78.95908	5.7
83.01389	1.0
85.02952	3.2
87.00874	0.4
89.02435	0.8
93.03457	0.5
95.01380	0.7
96.96039	2.2
96.96955	11.7
97.02929	0.3
99.00891	1.6
101.02452	4.7
108.02171	100.0
109.02981	14.0
111.00864	0.5
113.02444	4.5
114.05599	0.5
121.02953	1.3
123.00864	0.7
123.04508	1.4
123.98303	0.9
124.01648	6.2
125.02455	6.0
130.08698	0.7
131.08261	15.5
133.02930	1.3
133.39940	0.3
134.03844	0.5
136.98820	0.7
140.01163	0.6
141.98280	0.5
143.03418	0.4
150.98097	0.4
151.03976	4.3
152.81383	0.3
154.80940	0.3
156.07794	0.8
156.99217	0.4
159.02959	1.0
161.04559	6.1
163.03989	1.7
164.01349	0.5
166.03036	1.2
167.03436	0.4
168.00616	4.0
169.01407	7.9
173.10435	8.9
179.07172	0.3
180.99037	0.9
208.04002	0.4
211.02463	14.0
212.03598	1.7
224.03517	0.7
253.01237	0.7
253.03706	0.4
254.04593	10.0
271.04556	10.8
271.07556	3.5
272.04892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09776	0.7
53.43843	0.7
57.03405	1.8
59.01328	5.0
68.02676	0.7
69.90997	0.7
71.01345	1.8
72.99270	0.8
73.02915	1.2
73.14395	0.6
74.00037	0.6
82.95689	0.7
83.04977	0.9
84.89581	0.7
85.02937	0.8
97.06543	1.3
99.00882	9.1
108.02169	10.0
109.02872	2.4
109.06565	1.4
112.01653	11.2
112.98785	1.5
116.07119	0.9
123.04344	0.6
123.08078	0.7
124.01599	0.7
125.02411	2.6
125.09715	1.7
137.09720	0.8
138.03165	1.1
142.99809	1.0
144.00633	1.2
153.05588	1.1
155.10698	1.1
163.56226	0.7
165.09143	2.3
167.07019	1.0
171.10237	1.9
173.00789	1.1
174.01686	15.3
181.08600	0.7
183.10278	3.7
191.10759	0.8
193.05049	0.8
196.65012	0.7
199.09763	2.6
207.10103	1.1
209.08191	38.3
209.11781	21.1
210.08475	1.3
211.09752	28.0
225.03981	0.7
227.09245	100.0
228.09554	2.9
235.09689	2.5
253.10863	6.4
271.08389	2.9
271.11871	39.1
271.15326	2.1
272.12201	1.7
272.59653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03452	6.2
57.98429	0.9
58.24488	0.9
59.01377	9.3
59.82887	0.9
62.44096	1.0
69.03456	1.3
71.01385	5.2
71.05015	2.0
71.44159	1.1
72.99303	1.4
73.02937	2.4
83.01376	1.9
83.05025	2.0
85.02948	3.9
87.00877	2.0
95.05027	1.7
97.02978	1.9
97.06622	2.0
98.00101	9.6
99.00881	3.7
101.02430	1.4
108.02171	22.4
109.02922	4.4
109.06599	1.9
110.03748	1.3
111.08155	2.9
112.98835	1.5
113.02447	1.4
121.02955	1.3
121.06576	1.4
122.03762	1.8
123.04572	4.3
123.08138	1.6
125.02439	1.0
125.06099	1.6
125.09707	4.2
128.03548	1.9
129.01936	1.2
135.08174	1.2
137.06128	1.3
137.09723	2.8
139.07629	0.9
139.11292	8.5
141.09218	1.0
143.04634	2.2
149.06053	1.3
149.09734	1.0
151.04018	1.5
151.07686	1.2
153.05536	2.6
153.09238	6.6
155.10793	12.9
159.08162	1.7
160.57733	0.9
161.04651	1.8
165.09178	3.0
167.10788	2.4
169.08691	1.0
171.10329	2.0
174.01706	19.2
177.09178	6.7
180.65680	1.0
181.08740	2.5
183.10271	26.5
183.13838	2.2
184.10648	1.0
193.08698	1.8
197.08195	3.5
199.09738	1.5
209.11855	1.8
211.09750	3.7
213.11285	1.2
221.08231	2.1
227.09261	100.0
227.12909	7.2
228.09563	3.5
239.09232	2.1
252.17401	1.0
253.07077	1.3
253.10789	2.7
253.46300	1.0
271.05707	1.0
271.08243	6.7
271.11838	19.0
271.15488	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52722	1.4
57.03445	11.0
59.01377	42.8
69.47745	5.0
76.82089	1.4
83.05050	2.1
99.00866	1.6
113.02448	2.6
137.09706	2.7
139.11287	10.7
155.10782	44.5
165.09195	3.0
182.12914	1.8
183.10260	65.6
184.10646	2.4
202.48836	1.5
209.11847	2.7
211.09853	1.4
227.09245	100.0
227.12550	9.9
228.09590	3.0
271.11859	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92844	1.0
57.03455	1.4
58.02951	1.0
59.01378	21.2
60.00970	0.9
64.84487	0.7
69.09192	5.1
71.01385	3.3
72.99301	1.2
74.02478	1.7
83.01392	1.7
87.00943	1.3
99.00859	5.3
101.02411	0.9
108.02159	8.7
109.02966	2.4
109.06597	3.2
111.00888	1.3
112.98790	5.8
113.02489	1.4
115.00357	1.6
125.06096	0.8
125.09728	1.0
128.03546	2.1
137.06146	1.1
139.07613	1.1
139.11314	1.1
142.99858	4.7
143.01735	0.9
143.04611	4.2
149.06096	1.2
153.05600	2.8
153.09293	1.3
155.10800	1.8
167.07199	0.9
173.00882	2.3
174.01692	100.0
175.02229	2.1
183.10283	2.4
193.05081	1.1
197.07985	1.0
209.11818	1.7
211.06013	1.0
225.39078	0.8
227.09343	8.0
227.12827	5.4
235.09865	1.6
253.10849	3.4
271.02441	1.0
271.08292	3.1
271.11893	30.4
271.15344	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	271.1185
Annotation	(-)-Syringolide 1
Peak:m/z	Relative Intensity
58.00566	0.7
58.30168	0.7
64.39548	0.6
69.26578	4.2
71.01369	9.3
72.99294	2.3
73.02944	2.3
83.01368	1.0
96.02231	0.7
97.06583	1.1
108.02168	2.2
109.06544	2.0
121.02943	1.9
122.03780	0.9
124.01675	1.3
125.06120	0.8
125.09698	2.3
130.65837	0.7
137.09648	1.7
146.85512	0.7
153.09210	1.7
155.10762	1.2
163.07680	0.8
163.11256	2.2
171.10278	8.1
172.30324	0.7
181.08673	1.1
181.12424	1.0
191.10728	9.1
199.09750	28.7
200.09975	0.8
207.10266	6.3
213.11261	0.9
217.08577	1.1
225.11353	4.6
235.09691	6.0
253.10822	10.1
268.88684	0.7
270.82101	0.6
271.11841	100.0
272.12231	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	271.1186
Annotation	(-)-Syringolide 1
Peak:m/z	Relative Intensity
59.01377	100.0
60.01677	0.6
60.99298	0.7
69.87625	0.7
69.87944	1.1
70.06847	0.6
70.68700	0.5
71.01353	0.6
77.37164	0.6
108.02178	1.8
109.02975	0.7
109.72491	0.5
112.01643	0.7
115.30305	0.6
128.03557	1.0
139.11316	2.2
174.01689	6.8
181.12350	2.4
183.10237	1.1
183.13881	1.0
205.00117	0.7
209.11873	2.9
211.09763	4.0
227.09207	1.4
227.12878	20.5
244.57172	0.6
253.10777	1.6
271.11856	87.2
272.12280	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	271.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89130	0.3
52.27403	0.3
57.03463	0.5
57.31173	0.4
58.42021	0.3
58.63842	0.3
59.01376	48.3
62.37527	0.4
77.07182	0.3
82.56100	0.4
82.72434	0.3
95.05077	0.3
108.02180	3.4
109.02959	0.7
114.21541	0.4
125.02437	2.4
145.02971	0.8
149.09732	1.3
159.04535	0.5
167.10767	100.0
168.11104	3.0
169.08655	0.5
176.99850	0.4
199.04095	0.4
211.09746	13.1
212.10004	0.5
215.03618	0.8
218.23552	0.4
229.10788	1.9
243.03003	0.7
253.04994	0.4
266.14407	0.3
271.02454	9.3
271.05978	1.8
271.11829	3.5
272.02872	0.7
274.41516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24037	1.3
58.00583	2.7
59.01379	44.3
65.00330	3.0
69.03458	3.0
70.62969	1.2
71.01390	4.8
71.05044	1.7
72.99301	5.6
80.02641	1.7
81.03457	2.2
83.01379	2.7
87.00893	4.8
93.03445	2.6
97.06600	1.9
99.00882	2.5
99.04514	1.8
101.02434	1.4
107.01373	3.8
108.02177	25.4
109.02953	5.1
109.06601	4.4
112.98788	3.4
117.01913	1.5
119.05046	11.4
121.06554	1.9
123.04554	2.5
125.02463	3.3
125.06060	2.1
127.07661	1.8
137.06084	2.1
140.17468	1.3
142.99866	4.7
143.04883	1.6
149.06133	1.7
149.09796	1.4
151.00391	12.5
153.05576	2.9
153.12830	3.0
165.05576	2.6
165.12830	2.8
167.10771	38.3
171.10315	7.1
171.13844	1.8
174.01691	30.5
181.12393	3.7
183.13872	1.9
193.05049	3.9
197.11716	1.7
199.13385	51.3
209.11861	7.5
211.09811	8.0
227.12885	100.0
228.13197	3.2
241.05057	2.2
243.02902	2.1
253.10939	2.2
271.02454	25.2
271.06033	15.8
271.08423	2.0
271.11780	10.5
271.15466	15.8
271.18646	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1913
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
50.93989	0.5
57.03424	0.6
58.17964	0.4
59.01351	0.5
60.21574	0.4
71.01373	0.7
75.00889	0.5
91.25938	0.5
108.02180	7.2
109.02958	1.1
122.38733	0.5
150.14908	0.5
151.14940	0.8
159.06049	0.5
167.14394	1.3
207.17589	0.7
209.19101	53.7
210.19397	2.1
227.16504	1.8
227.20163	1.5
253.18085	43.2
254.18417	1.3
271.19135	100.0
272.19370	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	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01854	0.4
59.01352	0.5
61.98816	0.4
63.36190	0.3
65.48995	0.4
69.65218	0.7
87.00877	0.6
92.92805	1.0
94.92491	1.0
95.61504	0.3
98.21961	0.7
108.02158	3.1
109.02940	0.6
197.19122	0.8
209.15477	7.0
212.95441	0.4
221.19017	1.3
223.20622	4.0
225.22226	58.0
226.22585	2.9
253.21681	1.2
269.21484	0.4
271.22772	100.0
272.23114	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16856	0.8
59.01362	2.6
61.98820	1.0
66.03483	41.6
71.01363	1.5
75.70183	0.8
88.45152	0.7
96.96009	1.2
98.65858	0.8
99.92585	1.1
103.15569	0.7
103.28767	0.9
106.65993	0.8
108.02164	2.1
109.02321	0.9
109.02992	1.5
110.02477	100.0
111.02810	0.9
113.02421	1.2
114.05588	2.1
124.04041	6.7
152.03513	2.4
153.01968	2.5
154.02254	2.2
157.08607	0.9
179.07214	0.9
191.95222	1.6
221.77155	0.7
223.06343	0.9
235.94150	5.1
272.11768	1.1
273.09854	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	273.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09762	0.9
75.35402	0.5
78.95903	85.6
85.02969	0.6
87.00878	1.8
96.96964	4.4
98.21857	0.6
110.98531	58.8
147.51765	0.5
178.11266	0.6
198.90511	0.6
237.06210	0.7
241.01184	17.3
263.97137	0.5
273.03802	100.0
274.04169	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	273.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03466	0.8
58.14796	0.6
59.01374	12.2
62.53249	0.7
67.05505	0.6
69.03467	0.7
69.12069	4.2
71.01379	2.5
72.99304	1.4
73.02941	4.5
75.00867	4.8
77.77068	0.5
81.03449	1.5
83.01344	0.7
85.02921	1.1
91.05520	1.2
93.03460	6.1
95.05011	1.8
97.06586	11.8
99.00878	16.3
99.04504	0.7
99.08172	2.3
101.02453	2.6
107.05032	4.1
109.06586	36.7
110.06927	0.7
111.00886	0.8
111.04503	1.3
111.08165	1.1
111.63537	0.7
112.01669	1.0
113.02423	0.9
115.07758	0.7
115.21658	0.5
117.01928	1.0
119.10220	0.6
123.04509	0.7
123.08127	0.6
125.02443	9.0
125.06083	3.0
125.09675	0.7
127.07641	1.5
137.02440	7.2
137.06087	3.9
138.03197	0.8
139.03999	1.5
139.07639	0.8
141.05580	0.6
145.36317	0.6
149.09698	1.0
151.07635	2.5
152.04762	1.1
153.05559	14.9
153.09196	1.1
155.07135	6.0
159.06631	1.3
165.09224	2.7
167.10745	1.4
169.08662	1.6
171.06606	0.9
171.10237	1.1
173.08170	14.3
175.07628	1.8
179.07138	1.8
181.05022	1.5
181.08690	3.2
183.06659	1.5
183.10220	1.2
185.08228	1.0
193.08696	12.5
195.06548	1.2
197.02786	1.3
197.04535	20.0
197.08194	2.0
198.04807	0.8
199.06100	6.2
209.08183	0.9
211.09738	1.5
213.07648	3.0
215.09206	0.6
220.42117	0.6
223.06033	0.8
229.07141	1.1
237.07678	4.9
255.08714	1.4
273.09781	100.0
274.04718	1.0
274.10004	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02306	0.6
55.41338	0.6
57.03438	2.7
59.01379	3.4
61.29141	0.7
64.80608	0.6
64.82704	0.6
69.25892	2.4
71.01388	3.0
71.90567	0.7
72.99305	27.7
87.00874	5.1
98.21836	1.0
113.97186	0.8
115.00371	10.7
125.09726	1.8
127.11289	3.0
137.09682	0.9
138.06459	0.6
139.11290	3.5
141.12883	0.7
153.09213	1.1
155.10779	3.6
165.09190	1.7
167.10773	1.4
169.08710	1.9
171.10268	54.0
172.10616	0.9
173.57744	0.6
175.02472	12.3
176.42116	0.8
183.10246	24.7
184.10617	0.7
185.11824	5.0
199.09747	2.0
206.07065	0.7
211.09749	2.7
227.09232	17.2
229.10782	3.8
245.10216	3.2
255.08740	2.0
270.27487	0.7
273.09787	100.0
274.10147	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	273.098
Annotation	Xylomollin
Peak:m/z	Relative Intensity
55.01861	0.8
57.03439	2.4
59.01379	17.1
59.43284	0.5
62.49300	0.6
67.37614	0.6
67.66155	0.5
70.78822	1.0
71.04997	0.9
72.99305	24.1
73.82364	0.6
83.05024	1.1
95.05040	0.7
97.06550	0.7
99.08069	0.6
109.06649	1.2
110.06113	1.3
125.09712	4.9
127.11284	1.5
137.09697	0.8
139.11288	2.5
144.04605	0.9
151.07719	0.8
153.09230	1.3
155.10782	3.0
162.05519	0.8
163.06459	1.1
165.09216	1.7
167.10760	14.7
169.08694	9.2
171.10258	47.8
172.10574	1.4
178.02748	0.7
183.10252	21.9
185.11879	4.2
193.01443	1.0
193.07472	0.8
195.06671	1.1
199.09753	1.9
211.09744	19.6
227.09215	17.5
229.10739	5.4
245.10269	2.2
252.69705	0.6
255.08731	8.7
273.09787	100.0
274.10071	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	273.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53025	0.6
55.01867	0.8
57.03432	1.1
58.00577	1.5
59.01378	7.1
67.01888	0.6
69.03442	1.1
70.66798	0.6
71.01375	1.5
72.99297	1.4
73.02943	3.5
75.00861	2.2
81.03439	0.8
81.07100	0.7
83.01379	1.0
83.05027	0.9
85.02930	1.5
86.00088	2.7
93.03448	2.4
95.05018	1.8
97.02950	1.7
97.06596	7.8
99.00878	6.3
99.04523	2.5
99.08119	0.7
101.02430	1.7
106.78018	0.6
107.05023	2.4
107.08670	0.8
108.02173	2.1
109.02953	1.6
109.06595	18.6
110.03733	1.9
111.04510	0.7
111.08125	0.9
113.02460	0.9
113.06061	0.7
117.07076	1.5
122.03724	0.8
123.04492	2.0
123.08173	1.7
124.01645	3.4
125.02436	7.1
125.06092	2.3
127.07619	1.9
133.06581	1.8
133.88718	0.7
135.08151	2.0
136.01640	1.7
137.02457	8.4
137.06044	3.3
138.03226	14.0
138.67418	0.5
140.01178	0.6
149.05994	0.6
150.03217	4.8
151.04025	1.0
151.07651	13.3
153.05574	6.5
153.09209	2.7
155.07132	3.4
159.06558	0.6
161.06076	7.1
163.04042	0.9
163.07570	0.6
164.04797	1.6
165.09164	1.2
167.07143	0.6
169.08670	2.0
171.06616	1.0
173.08186	7.2
174.08455	0.8
175.07640	0.7
177.05487	0.6
179.07130	72.1
180.07460	1.6
193.08730	4.8
197.04538	8.3
197.08159	1.0
198.04892	0.6
199.06079	3.4
205.04898	0.8
211.09621	0.6
213.07617	1.7
223.06111	24.7
224.06509	0.7
237.07756	3.1
244.98621	0.8
264.15195	0.7
273.09790	100.0
274.04874	0.8
274.10138	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19560	0.8
57.03455	4.8
59.01380	25.6
63.36968	0.7
70.77494	1.5
72.99306	27.2
86.99539	0.7
96.95998	1.3
97.06591	1.0
109.06605	2.4
113.06188	1.1
125.09731	6.5
127.11291	1.4
130.82053	0.8
139.11324	3.0
141.49040	0.8
149.09746	1.1
151.07651	2.0
155.10782	3.0
165.09227	2.5
167.10785	21.8
169.08701	14.8
171.10275	31.4
183.10269	28.5
185.11880	5.1
193.01511	1.2
195.06584	1.0
199.09822	1.2
211.09753	31.4
212.10190	1.0
213.07756	1.2
222.94684	0.8
227.09258	22.3
229.10776	4.3
245.10307	3.6
255.08743	13.7
255.12291	1.6
273.09808	100.0
273.13217	6.3
274.10132	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42488	0.6
57.03450	4.7
58.77120	0.5
59.01377	4.1
69.19048	2.7
72.99307	34.2
83.05010	0.6
97.06590	0.6
118.49975	0.5
123.52604	0.5
125.06101	0.5
125.09722	1.3
127.11269	1.6
137.09683	0.9
137.46410	0.6
139.11270	3.1
149.09753	0.7
155.10751	4.1
165.09235	1.4
167.10764	3.4
168.17093	0.5
169.08713	1.3
171.10269	33.5
172.10669	0.9
183.10257	31.6
184.10674	0.5
185.11845	6.7
193.07559	0.6
199.09726	0.5
211.09720	6.5
227.09239	26.2
228.09619	0.9
229.10825	4.5
229.63785	0.5
245.10312	5.3
255.08769	1.8
273.09793	100.0
274.10196	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03434	0.6
59.01379	8.0
67.05512	0.5
69.03452	1.5
71.01376	2.4
71.16286	0.5
71.35162	0.4
72.99310	0.9
73.02940	4.8
75.00869	5.3
79.69500	0.5
81.03455	0.7
83.05030	0.8
85.02943	1.3
87.00869	0.7
91.05526	0.6
93.03461	2.2
95.05012	1.6
97.02946	0.5
97.06586	10.1
99.00874	7.9
99.08162	1.3
101.02431	3.6
107.05031	1.8
109.06586	15.7
111.08168	1.3
112.01620	0.6
113.02441	1.0
113.06038	0.7
117.01961	1.3
119.05044	0.5
120.21339	0.5
123.08130	1.3
125.02419	3.7
125.06065	1.5
127.07652	1.5
133.06573	0.8
137.02446	2.2
137.06084	4.3
138.03203	0.7
139.03990	0.8
149.09689	0.9
151.03998	0.5
151.07639	2.3
152.04820	0.9
153.05569	6.9
153.09193	1.2
154.05920	0.6
155.07146	6.8
159.06621	1.5
164.04790	0.6
165.09209	2.0
167.10678	1.1
169.08713	1.7
173.08183	15.6
175.07619	2.1
179.07115	2.0
181.05034	1.6
181.08672	2.5
183.06677	1.1
183.10214	1.4
185.08139	0.8
187.09750	1.0
193.05263	0.6
193.08701	12.6
195.06590	1.6
197.04549	7.1
197.08240	2.1
199.04468	0.7
199.06142	6.4
209.08180	1.2
211.09775	1.9
213.07660	3.0
215.09161	1.0
221.27065	0.5
232.86609	0.6
237.07695	5.2
255.03041	0.7
255.08746	2.1
273.03839	2.3
273.09790	100.0
274.04727	0.6
274.10110	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	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	47.3
62.12908	0.7
79.37399	0.7
93.48100	0.7
93.96326	0.9
112.09605	0.7
119.89902	0.7
130.06926	0.8
161.87369	0.7
169.12337	100.0
170.12683	2.8
171.10219	0.9
173.88300	0.8
213.11276	4.5
273.03641	0.8
273.07855	0.7
273.13437	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	273.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82454	8.8
69.82794	20.7
97.97713	6.3
98.22532	8.9
102.65586	5.7
115.07703	5.7
122.80588	6.0
128.05968	6.9
169.15956	15.5
183.17546	100.0
199.17043	10.2
211.17050	77.5
229.18007	70.4
273.17032	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03442	2.5
58.00581	1.2
59.01380	7.9
62.26430	0.9
69.03449	1.1
69.77785	2.9
71.01379	19.5
71.05005	2.7
72.99303	100.0
73.02944	15.4
81.03450	6.4
82.03790	0.8
83.05025	22.0
85.02959	9.2
85.06599	2.5
87.00877	2.5
87.04514	6.3
88.98823	1.3
89.02453	2.1
95.05015	6.0
97.06589	11.2
99.00881	7.4
99.04512	6.2
101.02441	2.5
101.06082	1.4
110.03757	1.4
111.00897	0.9
111.04526	2.2
111.08146	1.3
113.02422	1.3
113.06075	6.2
113.09734	1.1
115.00358	1.7
115.07619	1.2
116.51723	1.0
122.03689	1.2
123.08212	2.1
125.02441	1.5
125.09711	2.7
127.00735	1.3
129.01947	3.0
129.05583	3.5
133.06593	2.2
139.04015	1.3
139.07663	1.0
141.05527	4.7
141.09225	7.3
145.05070	3.1
146.04637	1.0
149.04515	1.2
151.07658	14.2
157.05075	1.8
159.06619	17.4
169.08702	14.4
170.99661	2.9
183.06621	1.5
195.06665	3.8
201.07634	5.0
213.07689	15.5
213.11249	1.3
215.09265	2.7
231.08665	1.4
257.06732	3.8
275.02075	1.7
275.05038	1.4
275.07724	14.9
275.11362	6.6
284.34946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
69.24894	4.0
70.80421	0.7
71.01373	11.5
72.99300	3.4
73.02941	2.3
81.03462	0.9
83.01402	1.2
83.05019	1.7
95.05013	1.6
97.06583	10.1
99.08139	1.5
101.02421	2.3
109.06561	4.6
113.06087	0.9
125.06088	1.4
127.07626	3.1
127.11279	1.1
135.08157	2.0
137.09723	11.7
153.05525	1.6
153.09209	1.8
155.10767	1.5
163.07646	1.7
171.06639	6.3
181.08672	5.0
197.08170	1.2
199.09755	2.3
207.06516	0.7
225.07625	1.5
243.08713	100.0
244.09041	3.3
275.11353	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	275.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87324	1.0
59.01379	33.3
63.91654	0.8
69.43725	2.8
69.44106	2.0
82.47449	0.8
89.70158	1.0
99.04071	1.0
107.87617	1.0
111.19991	0.9
122.70370	0.9
125.09730	1.0
127.11285	1.8
140.47771	1.0
151.11241	3.0
169.12343	39.1
171.10272	100.0
172.10596	3.1
202.37651	1.1
213.11285	11.0
215.09383	1.3
218.49777	0.9
231.12363	76.5
232.12636	1.9
275.11472	6.4
275.14252	1.4
276.38559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05890	0.5
59.01376	95.9
69.67947	0.8
69.68307	1.8
72.99306	3.7
90.48817	0.5
97.08414	0.5
100.37455	0.5
111.08145	1.6
127.07658	0.6
140.94261	0.5
151.11295	0.7
153.09248	2.6
155.07152	1.4
157.08678	0.7
170.09210	0.6
171.10265	100.0
172.10611	3.8
173.08133	1.2
180.44044	0.5
197.08186	2.3
213.11259	2.1
215.09232	19.7
216.09581	0.6
231.12354	2.9
233.10350	1.1
243.08699	1.8
275.11392	7.4
276.11627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
67.39764	0.5
67.47202	0.5
69.03448	0.6
71.44948	0.5
75.56315	0.5
104.69884	0.5
111.17993	0.5
131.64301	0.5
135.08218	0.5
141.12820	1.0
151.11264	4.2
167.10777	1.4
169.12332	28.6
170.12650	0.7
171.10277	2.9
185.11823	43.7
186.12141	1.5
186.24066	0.5
194.06082	0.6
195.10271	0.9
213.11290	10.5
215.09215	2.9
231.12352	100.0
232.12686	3.7
235.72319	0.5
275.11356	8.8
275.14578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1288
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
56.64087	0.9
59.01376	2.5
70.21544	1.8
77.03968	13.1
79.95714	2.1
86.90930	0.9
90.21776	0.9
96.96008	1.9
101.52579	0.9
105.03455	48.8
106.03732	1.1
116.92872	3.0
119.05005	9.2
129.92404	0.9
141.76967	0.8
145.06606	1.1
146.23227	0.9
150.94740	1.4
192.95845	8.4
193.88483	2.5
199.97881	0.8
203.14400	32.1
204.14745	1.4
214.89799	0.8
247.13374	90.8
248.13855	4.7
248.16216	0.9
265.14456	11.8
275.12881	100.0
276.13165	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	275.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	32.3
71.01369	42.8
72.76694	7.1
72.99307	7.8
75.50039	6.2
75.71803	6.2
79.95724	10.0
81.03466	14.8
83.05006	14.5
97.02966	16.4
97.06593	8.2
109.06570	89.1
109.12445	7.2
110.03686	11.8
116.92809	16.7
135.08139	11.5
136.05190	6.8
163.11298	36.8
171.10297	16.0
181.12346	17.3
192.95859	11.8
199.13383	13.3
207.10226	100.0
225.11310	42.5
243.12325	26.9
260.58774	6.6
275.14996	27.3
276.06949	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	275.1499
Annotation	oscr#1
Peak:m/z	Relative Intensity
57.03443	5.8
59.01369	1.5
62.04036	0.8
64.65496	0.7
71.44048	0.8
72.99303	1.0
73.02923	2.5
73.08998	0.7
79.95719	1.0
83.05040	1.0
111.08160	4.9
137.09723	2.4
139.11282	84.9
140.11617	2.2
157.12355	1.2
158.98187	0.7
169.12437	1.4
171.10229	1.8
183.10246	37.7
184.10585	0.9
185.11790	1.3
195.13925	2.6
201.11311	100.0
202.11667	4.3
213.15015	2.0
231.12457	3.9
239.12917	7.2
257.13959	4.7
275.05997	3.2
275.14987	78.0
276.15390	3.1
291.29553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77008	3.0
56.54975	3.1
59.01371	27.8
69.03462	5.3
69.24730	18.1
71.01006	4.9
71.01378	52.1
71.05038	3.2
72.99310	5.4
80.02644	5.7
80.96568	3.5
81.03456	10.2
83.05034	11.0
85.02959	3.2
91.96212	3.0
95.05003	4.6
97.02943	21.3
97.06560	4.1
107.05018	4.9
109.06584	89.8
110.03732	10.4
115.64127	2.8
116.92839	4.3
121.06619	6.3
123.04459	4.2
125.09707	4.1
125.81661	2.8
127.11264	3.2
133.06516	3.0
135.08160	11.1
136.05330	4.0
142.02699	6.8
155.10890	3.4
155.40863	2.9
161.09694	4.8
163.11269	44.3
165.09157	4.2
171.10254	11.6
179.10721	3.5
181.12357	25.8
185.11823	3.7
187.36319	3.1
197.11697	3.5
199.13416	18.1
207.10254	100.0
223.02956	3.1
225.11316	50.2
231.59109	3.2
243.12286	27.3
270.64914	3.0
275.09537	8.6
275.14957	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	276.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70321	0.3
59.01397	0.8
66.03485	25.3
67.03792	0.4
70.47009	0.5
73.29128	0.3
82.06367	0.4
84.04057	0.4
90.03510	0.3
95.01398	0.8
95.05019	2.3
96.02175	0.7
96.04576	0.4
97.06576	0.9
106.02979	2.9
106.04223	0.7
111.00880	2.5
119.05019	0.7
121.06597	2.7
123.00889	11.5
123.04532	0.6
124.01669	25.0
136.01614	0.5
137.02438	1.9
137.06125	0.4
147.03262	4.0
147.04524	1.9
148.05222	0.4
149.02440	0.4
150.03197	3.8
156.00618	0.6
160.04039	1.2
161.04842	1.9
162.02003	0.5
165.05573	46.0
166.05899	1.1
175.02733	3.3
176.03508	0.8
179.02266	1.0
186.05650	0.5
186.09322	0.4
189.04224	0.4
191.03488	0.5
193.03770	1.1
204.10284	1.8
209.04552	23.2
210.04897	0.6
214.08766	1.5
232.09854	1.1
258.07672	0.8
276.08759	100.0
277.09021	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	276.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50367	32.6
54.98027	30.0
62.01540	39.2
70.08981	100.0
72.90908	32.3
81.65006	31.4
84.91599	31.6
104.79855	34.8
108.70830	37.5
110.56656	39.8
121.05666	33.0
276.16470	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45592	0.3
62.82487	0.2
79.95725	1.5
88.35319	0.2
96.96004	100.0
97.06618	0.4
121.02992	0.3
130.06570	0.3
135.77507	0.3
149.06050	0.3
161.06094	0.5
174.05513	0.7
177.05562	1.0
179.10744	0.5
187.06200	0.3
190.05106	0.3
205.04979	0.5
221.04440	0.4
233.04558	0.7
238.14047	0.3
249.04100	0.9
277.07480	66.8
278.07855	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	277.0927
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
55.01875	14.2
55.48084	2.5
57.03435	12.7
59.01378	56.3
69.03460	3.4
71.01377	86.3
71.05013	6.9
72.99308	60.9
73.02952	35.4
78.95898	24.2
79.95748	5.7
81.03445	6.2
83.01389	13.5
83.05015	13.8
85.02945	73.7
85.06625	3.3
87.00862	14.3
89.02441	12.5
95.01369	6.2
96.96008	7.6
96.96971	23.7
97.02934	4.6
99.00873	100.0
99.04505	8.6
101.02438	58.4
109.02962	5.5
109.06574	7.2
111.04558	4.8
113.02446	31.0
113.03603	5.1
115.04013	41.2
117.01932	48.1
123.04555	3.6
123.08155	5.5
125.02442	8.9
126.04387	3.9
128.03577	6.1
129.01938	31.2
133.02956	5.4
135.08119	3.8
136.23866	3.0
137.02426	7.9
137.06107	2.9
141.05573	4.7
146.41559	3.0
147.02991	12.1
148.04016	4.3
152.91742	9.5
153.09230	7.8
155.07121	10.0
159.03052	4.4
159.06624	10.1
161.04570	25.5
167.03458	10.6
177.26051	3.0
194.92569	6.6
194.93965	5.8
197.08005	4.0
212.93884	3.6
217.07132	34.9
217.10426	3.1
233.10271	9.5
241.07115	3.6
259.06332	4.6
259.08316	32.4
277.03647	9.1
277.06506	4.0
277.09467	38.2
277.12369	5.7
277.21637	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	277.0928
Annotation	6-Tuliposide A
Peak:m/z	Relative Intensity
52.75056	0.8
55.01675	0.8
55.01878	8.2
57.03432	3.6
59.01379	4.6
59.01611	0.8
69.03445	1.2
70.63560	1.1
70.94654	0.8
71.01377	4.0
72.99308	50.0
73.02921	2.3
75.00866	0.8
78.95898	10.8
81.03443	2.0
83.05025	8.2
85.02448	1.6
85.02946	27.4
85.06582	2.6
87.00833	2.0
89.02453	1.5
95.05040	1.2
96.96962	29.7
97.02958	1.0
97.06592	1.9
98.03730	1.8
99.00876	100.0
99.04504	1.6
100.01168	0.8
101.02424	2.3
101.32350	0.8
108.85170	0.8
109.06551	1.1
111.04509	3.1
113.02430	1.8
113.06071	2.8
115.03985	1.6
117.01937	47.9
123.04533	1.1
123.08147	3.7
125.06078	2.2
125.09704	1.7
129.01942	25.0
129.05586	1.6
135.08173	6.8
141.05530	3.4
141.09230	1.3
147.02991	14.8
148.04120	1.0
153.09222	9.0
157.61255	0.8
159.06625	7.2
161.04492	1.3
179.07162	2.0
185.08180	2.9
197.08144	8.9
215.09201	1.7
223.06094	1.3
241.07150	2.7
259.08200	43.4
260.08517	1.0
277.06299	0.7
277.09283	19.4
278.09454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
57.03461	0.9
59.01379	100.0
60.01710	0.8
68.99763	0.5
71.01384	4.4
71.44020	0.4
72.99332	0.5
73.02950	2.7
81.03457	1.2
82.10358	0.4
83.01386	1.5
85.02949	4.2
85.06622	0.6
87.00885	0.8
89.02440	0.7
95.01395	0.9
99.00883	1.7
101.02439	8.2
107.05036	0.6
111.00895	1.2
113.02448	2.2
114.08173	0.5
115.04002	0.6
123.00883	0.5
125.02448	1.2
131.07156	2.1
141.01987	0.7
161.04608	2.6
167.90617	0.4
169.01575	0.4
171.10344	0.7
173.10847	0.7
175.04005	0.8
210.68921	0.6
233.13095	1.2
235.11855	11.5
235.13989	0.7
277.07162	14.4
277.12949	4.9
277.21964	0.7
278.07532	0.8
285.94043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1659
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
52.99065	0.5
54.49933	0.4
59.01440	1.7
60.97543	0.5
61.98874	0.6
71.00285	0.5
73.50415	0.4
76.91599	0.4
95.90649	0.4
103.02309	1.2
116.86647	0.4
118.03244	0.4
121.03285	3.7
134.89545	1.4
139.27161	0.5
146.99495	0.8
147.08473	4.9
149.00992	0.7
150.03343	0.5
152.91862	0.8
165.00436	9.8
189.04176	1.6
191.05643	11.8
194.92882	0.9
194.95502	0.7
205.07220	1.6
217.07135	0.9
231.08777	2.1
233.10330	97.0
234.10509	4.8
241.79445	1.2
249.18430	0.8
259.15527	1.1
277.16541	100.0
278.16751	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	277.1807
Annotation	Litsealactone B
Peak:m/z	Relative Intensity
52.05523	0.6
55.30965	0.6
59.01391	3.7
60.18325	0.5
61.98816	2.2
65.03969	4.6
71.43365	0.6
83.05015	0.6
106.04230	1.6
107.05015	2.8
108.02151	4.3
109.02954	2.7
121.03004	0.6
122.03702	0.9
125.87336	0.7
134.89494	3.3
152.91783	2.4
163.03964	0.7
194.92833	3.6
194.95528	1.1
205.15834	1.0
218.86705	1.1
233.18973	3.0
235.17027	6.6
241.79388	2.5
275.63974	0.6
276.92990	0.7
277.18079	100.0
277.21521	5.2
278.18463	5.4
295.22351	0.6
297.54172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1809
Annotation	Litsealactone B
Peak:m/z	Relative Intensity
59.01372	1.6
61.98814	2.0
63.77096	0.5
70.43790	0.6
71.01391	0.5
71.43623	0.6
71.45808	0.4
80.10484	0.4
94.83616	0.4
108.02171	30.9
109.03037	3.0
116.92868	0.6
118.94216	0.5
119.94704	0.7
121.02949	1.1
129.52863	0.5
134.89459	3.4
136.01646	1.0
136.11743	0.5
150.03203	1.1
167.66678	0.5
179.36502	0.5
180.01582	0.6
184.86502	0.4
194.92734	0.6
194.95525	0.9
218.86668	1.8
224.44496	0.5
241.79366	2.3
249.18584	52.2
250.18944	2.4
277.18073	100.0
278.18512	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01374	2.2
61.44505	0.3
67.83124	0.3
69.73309	0.5
69.73668	0.7
71.01386	0.5
81.98155	0.2
98.22569	0.4
110.43230	0.3
127.07565	0.3
144.50298	0.3
182.71873	0.3
197.33687	0.3
205.15901	0.4
232.00345	0.4
233.22841	0.4
245.74376	0.3
270.61896	0.3
275.20197	0.6
277.21698	100.0
278.22009	4.7
283.13486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
61.98812	0.4
67.44524	0.3
70.01987	0.7
71.01373	0.6
79.95785	0.4
90.35279	0.3
101.50375	0.3
121.02955	0.4
152.91809	0.3
166.97545	0.3
171.03378	0.3
174.37425	0.3
178.30185	0.4
182.27579	0.3
230.02477	0.3
233.22713	0.5
276.81961	0.3
277.18283	4.4
277.21695	100.0
278.22095	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01377	2.4
61.98832	0.6
63.10639	0.4
74.93482	0.5
99.42591	0.4
108.02170	1.5
134.89497	0.9
167.17459	0.5
177.05379	0.4
189.62143	0.4
233.15353	0.4
241.79384	0.6
249.18564	3.2
259.20654	0.7
275.20273	0.8
277.03604	0.9
277.18222	8.5
277.21704	100.0
278.21991	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09964	0.2
53.97535	0.2
57.03446	3.4
57.98134	0.2
59.01369	1.4
59.03559	0.2
61.98792	0.3
69.03452	2.5
71.05006	1.7
71.22816	0.3
83.05019	5.2
85.02950	2.0
96.02162	0.7
97.06579	0.2
98.03733	1.5
106.44641	0.2
108.02151	0.5
109.02919	0.6
110.03786	0.3
111.00863	0.8
111.04486	0.7
124.05280	1.8
172.25487	0.3
232.61919	0.3
233.19090	1.3
235.20673	0.8
241.85979	0.3
249.22218	23.7
250.22552	1.0
259.20609	1.1
277.21698	100.0
278.19083	0.5
278.22006	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75698	0.6
59.01370	5.6
61.29165	0.7
61.98833	3.9
70.99825	1.1
83.04999	1.0
92.95261	0.7
109.02970	0.8
119.38909	0.7
119.94643	1.0
121.02919	0.9
134.89487	3.3
203.69026	0.7
205.15981	0.7
205.19434	1.1
218.86678	2.7
233.22667	1.4
241.79311	2.1
249.03925	0.8
249.18558	1.2
254.52126	0.7
259.20502	1.1
277.03412	1.5
277.18228	6.9
277.21695	100.0
278.18985	1.3
278.22025	4.3
278.25000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0668
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
51.41469	0.3
53.13049	0.3
53.47584	0.3
59.01379	0.3
66.13191	0.3
66.66883	0.3
70.25643	0.5
71.01381	4.3
72.00909	0.5
81.92535	0.3
88.04038	27.3
93.03493	0.3
104.87974	0.3
114.01974	3.5
115.00370	10.9
117.03471	0.7
119.05022	11.6
120.05345	0.5
132.03026	100.0
133.03346	0.9
144.04501	0.4
145.02934	2.6
162.05612	0.8
163.03996	2.9
188.07184	0.4
189.31538	0.3
190.08669	0.4
234.07727	1.3
267.66177	0.3
278.06677	6.9
278.09766	0.4
279.07083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	13.4
79.44197	0.9
80.58911	1.1
88.04028	2.9
93.03461	6.8
96.95995	3.2
98.22613	2.6
101.00940	1.1
109.22148	1.0
109.95490	1.0
114.01966	29.4
115.00375	24.1
117.03448	1.4
119.05026	100.0
120.05388	1.8
121.06602	3.0
130.04245	1.3
131.05025	0.9
132.03049	20.5
145.02951	7.8
146.06114	4.4
147.04544	6.5
162.02841	1.1
162.05595	28.2
163.04012	26.2
174.62764	1.0
178.05954	2.0
190.08745	4.0
216.06645	10.4
222.04802	1.3
234.05305	1.1
234.07663	6.7
250.04413	1.6
260.05545	1.5
278.06668	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0543
Annotation	SULFAMETHOXYPYRIDAZINE
Peak:m/z	Relative Intensity
58.49810	0.3
58.97250	0.3
59.93253	0.2
69.11016	0.3
69.80550	0.5
69.80950	0.5
71.01369	0.3
73.02940	5.9
74.06727	0.2
75.91534	0.3
79.95723	3.0
80.96516	1.0
83.03914	0.2
95.95232	0.6
96.96005	42.7
100.90722	0.3
104.30148	0.2
125.06083	3.2
147.04376	0.4
152.98627	1.3
181.01764	5.3
199.09775	1.5
200.09959	0.3
235.06424	9.8
251.05916	0.3
259.64841	0.3
261.01996	0.3
261.04263	1.6
271.41794	0.2
279.05408	100.0
280.05807	3.5
301.70081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10196	0.2
57.03446	0.6
59.01370	0.4
67.57799	0.2
70.30938	0.5
71.10883	0.2
79.95717	1.7
79.96120	0.2
84.72014	0.2
95.95193	1.1
96.46913	0.2
96.96008	100.0
119.05077	0.2
139.95523	0.3
141.09218	0.3
153.12833	0.7
168.20551	0.2
179.74402	0.2
199.13368	7.8
200.13885	0.4
237.04379	0.3
253.07689	0.4
279.09048	61.7
280.09427	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	279.1025
Annotation	Danshenxinkun B
Peak:m/z	Relative Intensity
55.56363	0.4
57.04537	0.4
57.67825	0.4
59.01371	0.9
61.98815	0.6
64.32854	0.4
68.86925	0.5
69.84284	1.4
73.35490	0.4
73.88523	0.5
77.15121	0.4
84.98566	0.4
98.22601	0.8
102.89771	0.5
137.99582	4.1
152.01131	0.9
167.14429	3.8
194.74934	0.4
194.90201	0.4
195.17455	0.6
207.08125	1.3
209.06052	1.0
223.13437	4.1
225.91853	0.4
231.08098	1.7
233.07584	0.8
233.09718	10.8
234.93958	0.5
238.06334	0.9
251.10359	0.5
251.12880	11.9
259.07617	1.6
261.09186	18.8
262.09564	0.7
279.10223	100.0
279.16110	2.5
279.19632	1.4
279.91693	0.5
280.10562	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	279.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	1.5
59.01377	100.0
68.17654	1.1
69.68600	3.1
71.01379	47.0
71.05025	2.6
72.99318	1.7
73.02941	1.4
82.59748	1.1
83.01380	2.9
85.02949	9.4
87.00845	1.1
89.02441	59.0
95.01379	3.0
95.18272	1.1
98.21864	1.2
99.00791	0.9
99.04522	3.3
101.02442	28.9
113.02451	18.6
117.05578	15.6
119.03500	28.4
131.03485	1.6
132.03001	1.1
135.60632	1.0
143.03481	3.6
149.04500	2.3
150.69449	1.0
161.04585	1.6
179.05597	3.7
220.03851	1.5
279.10846	61.7
279.23267	2.4
280.11142	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	279.1085
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01881	1.5
57.03444	0.7
58.00605	1.0
58.54025	0.7
59.01379	100.0
60.01740	0.8
66.27274	0.6
68.97404	0.6
69.62592	3.0
71.01381	41.3
72.99306	1.7
73.02956	1.7
76.38235	0.7
83.01392	1.5
85.02950	9.1
87.00884	1.7
89.02445	54.1
95.01405	3.8
99.00875	1.1
99.04515	5.7
101.02444	29.4
113.02448	18.9
117.01999	0.7
117.05588	6.4
119.03506	24.3
131.03511	1.2
143.03555	2.1
146.87680	0.8
149.04558	1.7
161.04559	1.1
173.09489	0.7
179.05647	2.6
221.96878	0.7
279.10849	72.5
280.11191	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	279.1238
Annotation	Penifulvin D
Peak:m/z	Relative Intensity
55.70555	3.1
59.01375	6.1
61.85513	3.0
62.04622	3.2
65.00321	16.8
70.12038	3.9
70.12346	4.3
74.85994	2.8
84.03315	2.8
84.53735	2.8
93.02522	2.9
106.04255	3.5
121.68677	2.9
189.12825	5.1
191.14479	5.8
217.12376	6.5
217.15916	5.0
235.11063	5.6
235.13377	91.1
261.14914	12.2
279.12338	100.0
279.15985	30.3
279.23251	3.4
280.12668	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	279.1236
Annotation	(-)-Mniopetal F
Peak:m/z	Relative Intensity
57.52346	0.5
65.44193	0.5
69.49522	1.8
78.01080	0.6
80.02674	0.4
83.04991	0.6
98.21915	1.0
110.00095	3.1
123.00842	0.6
137.99590	29.9
138.99945	0.6
151.00357	1.5
152.01152	6.7
165.12830	2.7
167.14406	39.6
168.14792	0.5
191.14319	0.8
223.13373	34.4
224.13774	1.3
251.12874	100.0
252.13213	3.4
279.12375	18.0
280.12634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1237
Annotation	5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
57.03449	7.5
59.01382	2.6
69.00787	1.4
69.03453	2.9
70.18044	1.3
79.05527	1.8
81.03467	2.7
83.05029	4.6
86.52250	1.2
87.04533	1.5
95.05042	1.8
96.95974	1.5
97.02940	12.5
97.06609	1.8
99.04528	5.1
107.05035	3.4
109.02912	2.5
109.06593	2.0
111.04529	4.3
121.06568	5.2
123.04524	1.5
123.08174	2.5
124.05321	1.9
125.06066	7.0
126.88340	1.4
133.06583	2.3
135.04526	1.6
135.08162	3.1
136.05304	14.8
137.09721	3.0
139.07686	8.2
147.08168	3.6
147.11810	3.1
151.07643	100.0
151.11203	10.5
152.08006	2.6
153.05553	1.8
156.09511	1.7
158.07388	3.6
161.09703	2.1
162.06888	2.2
165.09221	1.5
167.07144	4.8
168.07901	29.2
169.08698	9.1
171.08250	3.3
171.11801	5.9
173.09732	4.7
175.07538	1.4
175.11292	4.2
179.07135	6.2
179.10767	1.8
184.08922	18.1
187.07616	1.9
187.11299	9.5
189.09137	2.3
189.12793	11.0
191.10828	2.4
199.11295	15.4
201.09222	7.5
202.10022	5.5
205.12332	42.0
215.10764	4.0
217.12308	63.1
218.12617	4.1
235.05980	1.4
235.13449	9.9
243.10361	2.1
248.92723	1.4
249.10991	1.8
261.11270	3.8
269.71664	1.3
279.05142	2.8
279.09482	2.3
279.12396	21.2
279.23248	1.5
280.08307	1.4
280.92737	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	279.1239
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
53.98735	0.6
57.03451	10.5
58.45773	0.7
59.01368	1.7
67.56099	0.7
71.05024	0.6
71.45232	0.7
83.05033	2.0
85.06580	0.9
86.36696	0.7
90.98590	5.9
95.05025	2.9
97.02943	6.7
97.06596	2.1
107.05026	0.9
109.02940	4.3
109.06577	6.1
111.04536	3.3
111.08105	0.7
119.08675	2.6
121.06587	6.6
122.03734	13.1
123.04514	3.5
123.08179	1.4
124.05305	17.0
125.06094	4.9
129.07416	5.2
135.04489	0.8
135.08212	1.2
137.06094	9.9
137.09743	1.1
139.07652	100.0
140.07993	2.1
147.08363	7.2
148.05283	0.7
149.06050	0.8
162.68468	0.8
163.07648	1.5
163.11276	1.4
165.09271	0.7
168.07913	22.1
169.08745	3.2
169.10016	0.7
171.08151	2.9
172.08829	1.2
175.11226	1.7
177.12897	1.3
179.00211	1.9
185.09778	1.0
187.11270	18.5
189.09201	1.0
190.10007	4.9
191.07452	1.0
205.12320	31.2
206.12599	1.1
217.09070	1.7
217.12373	2.1
227.52496	0.6
235.13463	4.3
249.11304	3.3
279.09113	2.3
279.12381	11.0
279.15683	1.3
279.23169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1598
Annotation	brefeldin A
Peak:m/z	Relative Intensity
55.01883	0.6
65.52804	0.2
68.27816	0.3
70.14102	0.5
70.14431	0.7
76.10915	0.4
78.78739	0.3
83.22461	0.3
93.34647	0.3
109.02943	2.2
110.03732	7.1
125.02462	1.6
137.02467	1.6
138.03218	8.9
142.02721	0.7
143.37090	0.3
159.45636	0.3
166.02698	6.5
167.03635	0.3
179.03526	1.0
180.04274	2.2
189.25482	0.3
194.05756	0.4
197.81650	0.3
198.01675	0.8
204.62181	0.3
251.16501	10.1
252.17143	0.5
253.30891	0.4
279.15991	100.0
280.16321	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	279.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22590	0.4
57.53387	0.4
59.01374	0.6
61.35529	0.4
68.99812	1.1
95.01383	5.7
96.02176	1.3
96.96008	1.4
98.00082	0.9
99.00861	0.6
99.72080	0.4
109.02974	3.1
109.62142	0.4
110.00116	2.5
111.00858	0.8
119.01363	0.5
121.00220	0.4
123.00884	42.6
124.01749	2.4
134.89473	0.8
137.01408	1.0
137.02441	13.4
137.99585	8.6
138.03256	0.5
140.45088	0.5
151.00401	2.5
151.04013	0.6
151.07689	0.6
152.01154	2.1
156.00682	0.6
162.47511	0.4
165.01923	16.6
165.05553	0.6
166.02454	0.5
178.96486	0.5
179.07184	1.3
193.08745	1.4
193.16002	0.7
195.17525	7.3
223.20674	1.6
232.12299	0.5
236.14156	5.6
240.13690	1.1
251.12891	0.6
251.13837	0.7
251.16528	9.0
264.13666	7.4
279.16019	100.0
279.19464	6.3
280.16425	4.7
287.75861	0.5
302.87344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56104	0.3
53.61075	0.3
54.68256	0.3
57.03448	1.5
59.01355	1.4
61.98800	0.7
65.00304	1.5
68.69530	0.3
80.02724	0.3
80.91663	0.3
81.03454	20.2
81.50311	0.3
83.01377	1.9
96.96002	0.8
103.00200	0.3
107.01355	1.5
109.02962	0.3
112.61449	0.3
121.02928	0.4
122.03734	3.6
123.00888	0.5
124.01649	0.5
125.02448	6.8
132.43573	0.3
134.89468	0.9
136.89211	0.4
137.99602	0.9
138.03195	0.4
151.00389	2.3
152.01225	0.5
153.12834	0.4
153.86855	0.6
162.03252	0.3
163.03819	0.3
169.15988	1.2
171.13863	1.1
172.49841	0.3
193.15947	6.4
195.13884	8.9
195.17552	1.0
196.14333	0.3
205.44647	0.3
207.17595	0.4
219.84494	0.8
233.15761	0.4
235.17020	45.6
236.17314	2.4
241.79524	0.5
243.79039	0.9
251.16551	0.7
255.97621	0.4
261.14981	1.2
277.14151	0.4
279.16006	100.0
280.16342	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	279.1601
Annotation	brefeldin A
Peak:m/z	Relative Intensity
59.01384	4.1
61.98806	2.6
65.00310	11.5
70.36434	3.5
70.36771	5.8
82.19320	2.2
97.66911	2.6
112.15891	2.3
116.37039	3.1
151.27429	2.2
154.25893	3.1
217.15955	19.7
235.17093	3.3
261.14938	54.5
262.15414	2.7
279.12503	10.2
279.15982	100.0
280.16333	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.16
Annotation	brefeldin A
Peak:m/z	Relative Intensity
51.37583	0.4
52.03107	0.5
80.02684	1.1
81.04010	0.4
83.05000	1.2
98.21788	1.0
110.00105	3.6
111.44508	0.4
123.00885	0.9
137.99585	32.3
138.99907	0.5
151.00377	1.6
152.01149	5.3
152.09395	0.4
193.16019	2.5
195.17529	32.5
196.17868	1.3
239.16502	0.5
251.16508	26.3
252.16859	1.1
256.54929	0.5
279.15997	100.0
280.16296	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	279.1601
Annotation	brefeldin A
Peak:m/z	Relative Intensity
50.25899	0.9
52.43990	1.2
57.00296	1.0
61.98828	1.9
70.89372	2.0
75.69050	1.0
77.63229	1.2
81.03457	1.6
83.05016	1.4
89.27610	1.0
110.00079	3.0
123.00835	1.1
123.04529	3.5
134.89491	5.5
136.89214	3.2
137.99585	32.6
151.00401	2.3
152.01186	6.6
153.86897	1.6
155.86729	1.1
193.15988	3.0
195.17528	33.1
196.17886	2.1
196.92610	1.3
197.90215	2.5
219.84566	2.6
241.06128	1.2
241.79451	1.9
243.79033	4.2
251.16505	27.6
279.16010	100.0
280.16455	5.6
288.00958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.16
Annotation	brefeldin A
Peak:m/z	Relative Intensity
52.40538	0.3
67.30957	0.3
69.58484	0.7
69.58872	0.7
80.02667	1.0
83.05003	1.1
110.00076	4.0
123.00889	0.4
124.01616	0.5
137.99580	32.1
138.99922	0.7
151.00336	2.0
152.01128	5.7
193.15935	3.0
195.17519	31.3
196.17880	1.1
239.16647	0.4
251.16502	23.7
252.16841	0.9
279.15991	100.0
280.16312	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	279.1599
Annotation	brefeldin A
Peak:m/z	Relative Intensity
51.88123	0.5
54.01099	0.6
58.68579	0.5
61.69352	0.5
66.44287	0.5
69.22879	2.8
71.11381	0.5
74.30356	0.5
80.02662	1.8
81.03468	0.8
83.05022	2.0
93.88067	0.5
96.81623	0.5
98.22644	0.9
104.12115	0.6
110.00088	4.0
137.99583	29.9
138.99966	0.8
144.51961	0.5
151.00351	1.3
152.01161	5.0
179.17950	0.7
193.15901	3.7
195.17522	51.7
196.17836	2.4
217.29263	0.6
247.57994	0.6
251.16512	39.3
252.16957	1.5
279.16000	100.0
280.16354	5.7
297.17014	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	279.1965
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
54.04497	1.4
59.01383	6.6
61.98804	1.7
83.05051	1.6
107.08665	38.4
110.00079	1.5
123.90204	1.3
125.09652	1.7
137.99582	20.4
152.01189	3.1
163.14952	2.0
167.14436	1.9
171.10266	79.6
172.10570	1.8
185.11775	2.6
185.64195	1.4
195.17534	17.8
217.19563	6.2
221.15388	2.9
251.12727	6.5
251.16515	14.0
261.18573	100.0
262.18954	5.4
279.13147	1.8
279.16016	63.4
279.19620	65.6
280.16382	4.0
280.19876	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.2
58.89955	0.6
59.01371	2.5
61.67913	0.5
68.95328	0.7
69.03450	2.2
71.01353	0.7
71.14326	1.0
73.02914	0.8
78.22726	0.6
83.05012	0.6
95.01386	3.1
98.03706	1.8
100.01659	0.9
110.00070	0.9
111.00876	1.0
112.19297	0.6
113.09637	0.6
123.00881	23.3
124.01135	0.7
125.02432	0.9
134.89473	1.8
136.89188	0.9
137.02435	1.9
137.99614	3.4
138.03229	0.5
151.00368	1.4
151.04005	0.8
152.01180	0.8
153.01920	0.9
165.01868	2.4
172.46852	0.6
179.03473	1.1
193.15988	0.7
195.17516	2.7
205.15997	0.7
207.17526	1.3
217.15953	1.2
219.84435	0.9
223.20657	100.0
224.20958	3.9
225.18532	1.8
235.17105	1.0
235.20642	0.7
236.14119	3.2
237.18629	0.8
241.79324	0.8
243.79028	1.0
251.16537	6.0
251.20120	11.9
252.17146	0.8
252.20436	0.6
264.13663	7.4
264.16415	1.0
267.19659	1.3
279.16003	38.1
279.19604	37.8
279.23071	2.5
280.16290	1.9
280.19913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1968
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
57.16250	0.3
69.03384	0.3
80.39729	0.3
83.01387	1.0
89.54621	0.3
93.31640	0.3
98.21766	0.4
111.00893	3.4
112.01182	1.4
123.00875	0.6
123.04508	1.2
134.89458	0.7
136.89133	0.5
137.02408	0.4
137.06064	0.8
137.99593	2.5
151.04001	7.7
151.94365	0.3
152.01083	0.6
152.04738	0.9
165.05553	6.3
166.06346	13.2
167.06737	0.3
167.16422	0.3
179.07175	0.8
180.07431	0.3
193.15909	0.5
195.17516	2.5
204.09674	0.3
223.20535	1.8
243.78851	0.4
244.67328	0.3
250.15463	0.4
251.16464	2.0
264.17227	1.1
277.18024	0.4
279.16165	7.9
279.19589	100.0
280.19937	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	279.1965
Annotation	Dihydroisoobtusilactone
Peak:m/z	Relative Intensity
57.03431	1.2
57.24900	0.5
59.01368	0.6
69.03448	1.5
69.67238	1.4
69.84907	0.6
71.05020	0.5
79.10444	0.5
80.02649	0.6
93.03413	0.8
97.34304	0.5
109.02927	0.7
110.00101	1.2
110.03783	1.3
121.02979	1.1
122.43262	0.6
123.00876	4.1
124.01660	19.7
125.02467	0.9
134.03729	3.3
134.89462	2.0
136.89186	0.6
137.02452	5.1
137.99582	4.8
138.03227	8.2
151.13339	0.6
152.01173	1.6
175.49693	0.5
195.17508	4.7
209.19069	0.8
223.20651	13.8
224.21019	1.1
228.23643	0.5
233.19096	0.8
235.17067	1.0
235.20715	2.3
241.79198	0.5
242.79750	0.5
243.79004	1.5
251.16455	4.4
251.20122	2.0
261.18628	1.0
264.13672	0.7
278.18811	1.4
279.16077	20.7
279.19629	100.0
280.16751	1.0
280.19971	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
69.47996	4.1
96.92490	0.9
106.10150	0.9
115.59402	0.8
137.99554	1.4
184.12946	1.0
195.17537	1.5
251.16521	1.2
279.16049	5.9
279.23273	100.0
280.23578	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.57837	0.2
57.03431	0.7
59.01376	4.0
69.03429	0.4
69.32436	0.8
72.02177	0.5
80.37397	0.2
85.02948	0.4
91.00213	0.2
96.96022	1.6
97.06614	0.3
98.03735	9.4
123.00886	2.1
133.46303	0.2
137.02432	0.4
137.99603	0.3
165.01892	0.8
177.54555	0.2
223.20708	0.3
235.08530	0.2
235.20676	1.9
236.14317	0.2
237.22182	0.2
251.16484	0.3
251.23766	0.8
253.21722	1.6
261.22208	0.6
263.20425	0.2
264.13602	0.3
279.16562	5.4
279.23276	100.0
280.16489	0.6
280.20511	0.3
280.23618	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	280.0825
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
59.01379	6.7
66.03455	1.0
69.34940	4.1
84.04543	23.6
85.02937	1.9
93.03449	7.1
98.22648	1.4
101.68249	0.7
107.04946	1.1
118.02987	7.4
120.36470	0.7
121.02945	1.5
128.03532	2.5
131.03725	1.5
132.04520	0.8
133.06595	1.0
135.04443	0.8
136.15463	0.8
139.00165	0.7
140.16982	0.7
144.04544	2.5
148.11299	1.6
150.05611	8.1
151.04004	28.7
152.04372	0.8
157.19836	0.7
158.06157	2.1
160.07709	6.7
162.19698	0.8
174.09233	1.4
176.07104	0.9
186.05583	4.5
192.10258	1.1
204.06650	19.4
204.08488	1.3
236.09267	46.8
236.12834	1.5
237.09555	1.5
262.07205	18.5
262.10352	1.4
280.08246	100.0
280.11386	3.2
281.08551	3.0
281.11420	1.2
281.14203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42496	0.6
57.03435	1.2
59.01379	8.8
60.22117	0.7
60.99308	11.9
63.36779	0.7
64.74613	0.8
70.09618	1.7
70.09951	0.8
71.01373	8.7
73.02934	1.0
83.01382	1.5
85.02946	6.9
87.00865	2.7
88.98804	100.0
89.02443	2.7
95.01401	1.5
99.00874	2.7
101.02459	2.6
103.00355	0.7
103.92019	1.3
111.00891	1.3
112.98808	2.4
113.02446	10.9
122.89401	1.3
124.89182	1.2
131.03488	0.8
132.91504	0.9
146.93057	0.8
161.04584	1.3
164.04810	4.5
173.00923	0.9
176.90453	4.0
205.07202	1.1
281.08774	10.6
281.11938	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	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
69.67570	1.7
71.01373	0.9
85.02969	0.9
87.00874	1.0
95.01395	1.6
96.96016	0.9
98.22554	0.9
109.02986	0.9
113.02402	0.9
116.27074	0.5
119.05025	1.4
121.02957	0.5
124.02264	1.9
133.02966	1.0
133.06616	0.6
134.03741	47.2
135.04070	0.8
136.34753	0.6
137.02441	3.6
137.06046	0.9
139.04015	1.0
143.83478	0.5
149.06085	16.3
150.03221	1.2
152.01772	2.4
159.11707	0.5
160.77614	0.5
164.04800	6.4
165.05527	1.5
178.02718	30.9
179.03090	0.7
191.03406	0.6
193.05055	100.0
194.05452	3.8
209.04515	1.3
237.07745	0.5
266.39578	0.5
281.01334	0.7
281.06836	4.2
281.11795	8.5
281.14273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01365	1.7
69.33986	1.1
69.34389	0.7
82.50160	0.4
83.05009	1.2
87.00871	3.2
96.02222	0.4
96.48076	0.4
105.01901	0.6
111.04535	0.7
119.05032	0.6
121.02953	1.1
121.06597	0.5
121.10204	0.4
123.08166	3.1
124.01684	1.1
133.02968	1.4
134.03734	54.8
135.04115	1.3
137.02443	4.8
139.04018	1.2
145.10310	0.5
149.06075	16.0
150.03218	0.8
150.06523	0.4
151.07581	0.4
152.01123	0.7
164.04784	1.0
169.08702	0.4
171.11794	3.1
178.02705	35.4
179.03003	0.8
182.69838	0.4
189.12868	1.2
192.00908	0.4
193.05045	100.0
194.05377	4.6
201.12878	1.3
207.13783	0.9
230.47206	0.4
237.14944	4.3
253.14497	1.1
281.06915	2.9
281.13980	15.0
282.07297	0.5
282.14468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77909	0.8
56.58005	0.8
59.01377	100.0
60.01693	1.3
61.98821	1.6
64.45001	0.7
66.84278	0.8
71.01373	2.3
83.01395	0.7
89.02429	1.2
101.02421	1.8
112.24664	0.8
113.02417	2.0
136.10417	0.8
161.04565	1.0
164.04825	6.9
209.08153	1.6
221.10240	2.6
227.09319	1.0
281.11768	8.7
281.24741	2.7
299.97672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
57.03443	2.9
59.01379	100.0
71.01379	70.2
72.99310	2.1
73.02947	19.5
76.37464	0.8
78.95908	1.7
81.51614	0.8
83.01398	9.9
85.02951	26.4
87.00895	4.7
87.01410	0.8
87.04527	3.5
89.02444	40.3
91.59954	0.9
93.03440	0.9
95.01393	4.1
97.02942	1.3
99.00858	6.2
101.02445	63.2
107.03642	2.9
108.02058	7.4
110.02415	1.3
111.01991	1.9
113.02452	34.2
119.03506	15.5
119.07136	12.7
125.02475	1.8
126.03138	4.9
131.03513	2.0
133.01561	28.4
143.03479	5.1
149.04538	1.0
150.04214	99.3
159.03006	5.4
161.03192	1.9
161.04562	41.3
164.04791	9.0
173.03096	1.3
179.05711	5.1
197.28026	1.0
199.00999	2.6
203.06093	1.0
220.96806	1.2
227.96460	0.9
243.06233	3.1
276.98529	1.2
281.00821	1.6
281.12338	58.6
281.24860	1.1
282.08441	33.5
282.11743	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1392
Annotation	Merrillianone
Peak:m/z	Relative Intensity
59.01373	3.5
64.02358	0.6
69.26668	0.6
70.34372	1.0
70.34711	0.9
95.01373	1.3
96.02186	3.9
96.83776	0.6
96.96065	0.6
98.22610	0.7
111.00911	0.7
123.00896	2.4
124.01657	12.8
124.98860	0.6
127.00382	2.3
152.01138	8.4
159.01718	0.8
164.04796	3.7
165.01935	1.3
166.02728	2.1
184.00163	0.8
253.14455	7.5
263.12915	0.7
281.13971	100.0
282.14331	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	281.1394
Annotation	Merrillianone
Peak:m/z	Relative Intensity
51.27307	1.0
55.01865	1.2
59.01382	10.6
59.68601	0.9
65.00312	1.2
65.03531	1.0
70.14111	2.2
71.01424	1.3
73.02969	2.1
83.01411	1.2
91.82253	1.2
99.00889	1.9
124.01642	1.6
124.98803	1.4
125.99615	4.4
127.00372	100.0
128.00746	1.6
138.45155	1.0
155.14452	2.5
164.04756	6.2
167.14430	1.4
169.16077	1.3
185.15442	19.7
195.13968	0.9
197.15529	3.5
209.15515	3.3
213.14966	23.8
223.08952	1.1
225.15080	1.5
253.14450	18.7
253.16974	1.2
254.14896	1.7
264.92172	1.0
281.14041	71.6
281.24847	1.8
282.14371	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	281.1758
Annotation	Koninginin B
Peak:m/z	Relative Intensity
52.12243	0.1
64.58357	0.1
64.60540	0.1
67.12453	0.1
69.03429	0.2
69.67761	0.4
77.47445	0.2
78.01104	5.5
84.02142	0.3
84.99299	0.2
85.43703	0.1
91.71175	0.1
96.99297	1.1
99.00872	0.3
111.00884	0.5
124.98808	0.7
125.99583	8.6
127.00360	0.2
139.00363	3.2
140.01192	1.1
140.98317	0.3
145.35789	0.1
164.04788	0.7
179.18092	0.2
195.17525	0.9
197.19061	1.5
209.15503	0.2
219.17520	11.5
220.17802	0.7
225.18605	0.6
237.18657	0.4
281.17554	100.0
282.17920	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1757
Annotation	Koninginin B
Peak:m/z	Relative Intensity
55.14059	0.3
56.40257	0.3
57.25154	0.3
58.55711	0.3
69.62261	1.1
72.66917	0.3
80.02643	0.4
84.45620	0.3
98.21868	0.6
112.01659	11.0
114.42467	0.3
125.02444	0.5
138.75069	0.3
144.00633	0.7
150.35628	0.4
150.75783	0.3
193.15944	0.8
195.17546	8.0
218.72328	0.4
225.18602	3.6
253.18077	24.8
254.18462	1.5
281.17563	100.0
282.17923	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	281.1758
Annotation	Koninginin B
Peak:m/z	Relative Intensity
55.01876	0.2
59.01371	0.5
61.98809	0.3
69.03444	0.3
69.31961	0.2
69.55437	0.7
70.99856	0.1
78.01103	5.8
84.02168	0.3
84.81979	0.2
84.99305	0.6
96.96014	0.2
96.99313	1.1
111.00872	0.4
112.98819	0.1
116.97249	0.3
123.00909	0.2
123.04504	0.2
124.98824	1.2
125.99580	6.8
127.00368	0.2
139.00374	3.7
140.01155	0.8
140.98270	0.5
153.01834	0.2
164.04839	0.3
170.88387	0.2
173.54330	0.2
179.18027	0.2
186.03078	0.2
193.15947	0.2
195.17558	1.2
197.19115	1.4
199.98752	0.2
207.17577	0.2
219.17523	14.0
219.89229	0.2
220.17862	0.5
225.18573	0.7
237.18628	0.3
263.16550	0.2
266.15240	0.3
281.17560	100.0
282.17908	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	281.1755
Annotation	Koninginin B
Peak:m/z	Relative Intensity
59.01371	0.6
59.02206	0.3
69.67764	0.4
69.68120	0.8
69.93518	0.3
75.66859	0.2
84.02161	0.6
84.99295	0.7
96.99318	1.6
98.22688	0.3
124.98833	1.9
125.99583	11.7
126.00519	0.6
127.00376	2.4
139.00352	0.3
140.98283	0.5
164.04828	0.6
185.15321	0.3
195.17532	0.8
197.19075	2.1
209.15384	0.3
209.19061	0.3
213.14882	0.4
225.18542	1.0
237.15048	0.4
237.18498	0.3
253.14476	0.5
253.17929	0.3
263.12695	0.4
281.17551	100.0
282.17905	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	281.1757
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
51.04824	0.3
52.39280	0.3
55.01880	0.4
59.01365	0.8
65.03939	0.3
65.92106	0.3
68.99832	0.4
69.03442	3.0
69.15211	0.3
70.23808	0.9
72.45513	0.4
74.43800	0.3
78.20033	0.3
79.30643	0.3
83.04932	0.4
84.02158	1.5
96.02191	0.5
108.02171	0.9
110.03725	0.3
117.49327	0.4
119.05015	0.5
123.00883	1.4
133.06610	0.5
136.01656	1.6
137.02467	0.7
140.01228	0.5
163.04074	0.5
164.04785	7.8
165.05382	0.5
179.18028	2.4
195.17523	2.1
197.19098	4.9
207.17557	2.8
209.19115	5.3
223.17091	0.5
225.18600	5.2
237.18590	14.7
238.18968	0.8
251.16505	1.0
253.18022	2.7
263.16516	4.5
265.95911	0.6
281.12061	11.1
281.17548	100.0
282.12302	0.4
282.17914	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2122
Annotation	6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
Peak:m/z	Relative Intensity
54.00086	0.5
57.03444	1.1
59.01371	2.8
69.78799	1.6
78.01107	3.0
96.99306	0.7
97.06605	0.6
110.30692	0.5
124.98835	1.0
125.09711	2.0
125.99586	4.3
127.11268	0.6
139.00337	2.1
163.04076	0.7
163.78496	0.5
164.04785	5.5
171.10269	31.5
172.10497	1.0
195.17490	2.2
197.17908	0.9
199.67368	0.5
209.15411	1.7
219.17551	5.5
220.17749	0.7
237.18626	1.3
245.18877	0.7
253.17104	0.7
263.20145	44.0
264.20621	2.7
281.11923	6.1
281.17529	61.3
281.21158	100.0
282.17892	3.2
282.21521	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	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
70.74171	0.5
84.12309	0.3
94.00131	0.3
119.31838	0.3
123.97857	0.3
134.89488	0.6
135.89525	0.6
136.89168	1.3
137.89137	0.4
148.74321	0.3
153.86845	0.4
155.86575	0.7
164.04817	0.8
165.86835	0.4
168.95116	0.3
199.17453	0.3
243.79073	0.6
244.79086	0.8
245.78630	0.5
281.11993	1.7
281.18411	2.2
281.24850	100.0
282.25217	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	282.0844
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.49461	0.2
51.54595	0.2
59.01377	2.8
60.01706	0.3
61.96851	0.2
66.00960	0.6
69.69804	0.6
71.01371	1.1
72.01723	0.3
73.02941	0.3
78.00959	0.3
80.02574	0.2
82.04092	1.1
85.02937	0.3
89.02418	0.5
90.02802	0.2
101.02451	1.0
102.02789	0.4
107.03632	3.5
108.02031	8.2
113.02444	0.2
114.02794	0.3
119.03517	0.4
124.89056	0.2
126.03095	4.0
133.01558	27.9
134.01945	0.4
150.04207	100.0
151.02672	0.4
151.04688	1.0
161.04536	0.3
162.04855	0.4
184.01039	0.4
197.19095	0.2
201.02528	1.5
271.38513	0.2
282.08420	32.9
283.08569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87046	0.5
59.01376	100.0
61.98827	10.4
69.26909	1.7
69.27319	1.1
74.59423	0.5
77.47129	0.5
99.98920	2.0
112.92287	2.3
117.00499	0.9
137.94472	0.7
138.92075	0.7
138.94557	1.0
138.96510	0.9
139.94241	6.4
140.88101	0.5
140.91786	3.9
140.94260	2.6
141.00517	0.8
141.93956	0.8
141.99960	40.2
152.93842	0.5
154.93398	2.5
157.03542	5.7
159.01463	3.8
181.95192	2.5
182.95334	1.1
184.01012	13.7
184.02594	0.9
201.02544	98.4
202.02708	5.7
206.89825	0.5
242.00246	0.6
282.95328	3.1
283.26398	10.6
283.95456	1.1
284.01105	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	283.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34891	0.2
59.01381	1.5
61.58640	0.2
62.69991	0.2
69.72899	0.6
71.01339	0.2
72.99298	0.2
78.29993	0.2
79.95739	0.9
91.71836	0.2
95.01348	0.2
96.96008	100.0
101.02374	0.2
105.58794	0.2
107.08560	0.2
109.02950	0.4
121.02981	0.2
123.00848	0.5
123.85224	0.2
124.01662	0.6
141.09215	1.9
147.02940	0.4
153.01971	0.7
157.08687	3.1
167.07101	0.3
177.09181	0.4
179.07097	0.3
185.08211	0.2
195.10233	0.3
201.02632	0.2
203.07306	0.5
203.09241	9.5
204.09650	0.3
211.17729	0.2
221.08162	0.4
239.05690	1.0
239.09309	0.8
265.07236	0.7
283.04941	27.2
283.08154	1.9
283.11703	0.7
283.15350	0.5
283.26443	1.7
284.05359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1187
Annotation	Karalicin
Peak:m/z	Relative Intensity
55.99149	0.7
56.26224	0.7
59.01380	100.0
59.42023	0.8
60.01720	0.7
61.63491	0.7
67.05527	2.0
69.29128	1.6
69.29543	2.3
86.42342	0.8
110.25960	0.7
110.95220	0.8
121.40599	0.8
124.05303	2.1
135.11809	2.5
160.71797	0.7
179.10771	63.7
180.11180	2.5
197.11890	1.8
223.09715	4.2
238.56499	0.9
239.12953	1.5
241.10802	1.0
283.12024	0.9
283.14944	0.8
284.03336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1187
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
59.01377	5.0
61.98849	1.1
77.96618	1.0
78.01102	16.1
110.00095	1.6
111.00870	1.3
111.42514	1.0
123.11777	6.6
133.88145	1.3
136.53180	1.1
137.09706	2.3
139.11282	49.4
140.11629	1.8
163.11281	100.0
164.11624	3.1
167.10867	1.3
171.10275	2.3
179.10750	2.0
195.10236	30.2
196.10782	1.4
201.02579	2.6
220.54636	1.0
222.38994	1.2
223.09726	11.0
234.32204	1.1
237.14949	1.9
241.10811	12.2
251.09198	1.6
265.14413	1.6
283.11877	81.9
283.15353	8.6
283.26315	9.3
284.12195	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24088	1.2
54.85183	1.2
56.04366	1.5
57.64960	1.1
59.01378	100.0
67.05545	2.2
69.27486	6.4
105.25685	1.2
106.48278	1.6
114.82845	1.4
120.60177	1.4
135.11815	2.1
135.81248	1.2
161.09755	1.3
164.52141	1.2
177.43317	1.2
179.10776	78.1
180.11089	3.0
201.02594	2.0
223.09735	6.5
241.10727	2.0
283.06458	1.7
283.11966	2.2
283.15439	1.7
283.26474	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	283.1187
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
51.69756	0.4
53.89703	0.4
57.03436	1.1
58.00596	0.7
59.01377	2.4
69.03462	0.8
69.54438	0.8
69.54832	1.2
71.01377	11.3
72.99311	2.7
73.02943	8.8
81.03446	1.5
81.15976	0.4
83.01368	0.9
83.05028	1.3
84.02167	1.6
85.02943	1.5
87.00872	0.4
87.49316	0.5
89.03988	0.4
95.05030	1.6
96.02203	0.6
97.02976	1.1
99.04514	1.7
107.05029	0.9
108.02158	1.2
109.01707	0.8
109.02990	0.7
109.06550	0.7
110.03712	1.0
111.04462	0.6
118.13110	0.4
121.02957	3.1
121.06593	0.7
122.03783	2.2
123.04506	1.5
124.01657	3.0
125.02393	0.4
125.06073	0.6
132.69537	0.5
134.03738	0.5
135.04503	0.8
135.08141	0.6
137.02353	0.5
137.06052	1.3
137.09729	2.5
138.03214	1.2
139.11302	1.3
147.08153	0.8
149.09723	2.6
153.01935	0.7
157.26773	0.4
162.06848	0.9
165.09200	0.6
167.10779	3.8
175.11296	3.6
177.12868	0.7
183.10258	1.8
193.08760	0.5
193.12354	3.0
201.09158	0.6
203.10783	13.2
203.24278	0.4
204.11067	0.8
211.09744	20.1
219.10304	4.2
221.11812	2.8
223.09723	0.8
229.08667	0.8
237.11311	3.4
239.12877	1.4
247.09721	6.5
265.10834	12.7
266.11179	0.5
283.11868	100.0
283.26306	2.1
284.12219	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	283.155
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
59.01375	2.3
61.98796	0.6
67.01875	0.5
69.31329	2.2
72.99281	0.6
80.02665	0.5
83.05018	0.6
87.00873	0.5
98.40407	0.5
111.00883	9.6
118.94247	0.4
136.99664	0.5
151.14844	0.6
165.12881	0.9
167.14403	12.7
179.14375	1.7
183.01105	0.6
185.68590	0.5
197.15462	0.9
197.90341	0.7
200.94444	1.0
201.02443	0.7
223.13435	0.6
224.13881	0.5
227.16594	1.5
255.16013	0.9
283.15509	100.0
283.26044	2.5
284.15921	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	283.155
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
51.84393	2.6
57.03457	3.3
58.94958	2.5
59.01379	15.3
67.01868	4.0
68.29848	2.6
68.99831	13.1
71.01376	10.0
72.13535	2.5
72.99310	3.0
73.02949	3.1
75.52589	2.9
85.02943	4.3
96.99293	8.6
98.03718	7.7
99.00870	10.1
101.44709	2.8
108.02136	3.1
109.02936	5.9
111.00877	55.8
129.01956	3.9
152.91701	3.2
153.12857	4.8
169.15968	2.8
171.13875	12.3
185.15475	6.4
187.82437	2.7
193.15973	4.9
197.15462	73.1
197.90266	4.5
200.94522	3.6
213.61362	2.7
221.15443	32.3
222.51503	2.8
237.14995	8.6
239.16496	9.2
241.14473	6.6
265.14435	47.9
283.15485	100.0
283.18826	6.4
283.26343	19.1
284.15753	6.2
289.89978	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01379	1.8
59.31673	0.5
69.17657	2.3
73.52321	0.4
84.77886	0.4
107.05025	100.0
108.05330	1.4
110.73898	0.4
124.15519	0.5
126.88015	0.5
129.04617	0.4
150.63760	0.4
163.11279	95.3
164.11630	2.6
195.17453	2.5
200.94341	0.6
228.94200	0.5
239.19972	0.5
243.21083	0.4
268.14130	0.8
268.16779	9.0
283.16846	90.1
283.22659	5.2
283.26016	2.2
284.17209	5.1
284.19409	0.5
303.12378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1913
Annotation	Asperic acid
Peak:m/z	Relative Intensity
54.00864	0.2
54.01095	0.4
59.01381	1.8
69.03442	0.4
71.01364	0.4
71.05003	0.2
71.13176	0.2
73.02924	0.5
78.01078	0.3
80.02675	2.4
81.03450	0.9
83.05031	1.7
83.18839	0.2
91.93785	0.2
94.97697	0.2
115.03988	0.2
171.97009	0.2
193.15976	5.1
195.17531	100.0
196.17871	4.6
197.19067	0.6
200.94421	0.3
211.17076	0.3
215.89319	0.2
221.18324	0.3
223.17020	3.3
223.47234	0.2
225.18631	0.4
227.20155	15.9
228.20438	0.5
239.16515	4.5
240.16815	0.3
251.16504	1.6
255.19649	29.4
256.20062	1.6
266.53815	0.2
271.19202	0.6
283.18793	7.5
283.26248	0.8
284.19479	0.4
299.04117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93123	0.3
53.30718	0.3
53.87675	0.3
54.15138	0.3
59.01373	0.9
69.18713	1.2
69.19126	0.6
85.03706	0.3
89.92672	0.3
106.04248	0.5
106.17514	0.3
107.05028	100.0
108.05359	2.1
147.08159	0.4
163.11282	96.7
164.11621	4.1
179.18102	0.3
193.16039	0.9
195.17528	11.7
196.17899	0.5
200.94507	0.6
225.18539	0.7
238.31244	0.3
239.16452	0.4
255.19641	1.5
268.16782	3.9
283.16998	78.5
283.19211	14.3
284.17197	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	283.1914
Annotation	Asperic acid
Peak:m/z	Relative Intensity
54.12259	1.0
55.52584	1.2
59.01376	2.4
69.03455	1.3
69.45891	1.1
80.02654	2.2
83.05016	1.7
100.45023	1.1
109.19798	1.2
126.44498	1.3
193.15981	7.3
195.17528	75.0
196.17897	3.8
204.75377	1.3
225.18675	7.6
239.16495	4.4
255.19643	30.3
256.20132	2.2
283.19156	100.0
283.26221	3.6
284.19586	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	283.1914
Annotation	Asperic acid
Peak:m/z	Relative Intensity
50.69611	0.5
54.01119	0.6
59.01368	3.1
61.98835	0.6
69.50516	2.1
71.01370	0.7
75.69379	0.5
80.02680	2.0
81.03446	0.6
83.05028	1.7
83.59866	0.5
85.56742	0.5
94.11254	0.5
96.73298	0.4
98.22563	0.7
107.04993	0.6
121.02970	0.4
128.55708	0.4
135.00780	0.5
135.56528	0.4
163.11395	0.5
193.15971	4.0
195.17528	100.0
196.17873	5.3
200.94452	0.7
219.84550	0.8
223.17021	4.0
225.18526	0.6
227.20143	16.2
228.20430	0.6
239.16501	5.1
251.16479	1.1
255.19655	31.3
256.20001	1.7
283.18994	8.9
283.22757	2.6
283.26318	1.9
283.91769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59073	0.4
59.01377	7.9
60.01684	0.7
61.98822	0.8
71.43626	0.5
83.44231	0.5
87.60095	0.4
99.98898	3.9
128.52840	0.4
134.89461	0.5
140.02031	1.3
141.99957	100.0
142.87573	0.5
143.00056	4.1
174.99271	0.8
184.01007	31.3
185.01086	1.3
186.42166	0.5
200.90091	0.5
202.02675	5.4
202.98663	1.4
203.02428	1.1
215.48515	0.5
230.25197	0.5
242.00153	1.5
283.26434	7.5
284.01108	48.8
284.26859	1.4
285.01300	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Kaempferol
Peak:m/z	Relative Intensity
51.54192	0.3
59.01374	2.3
63.02377	0.9
65.00316	1.0
70.80936	0.5
83.01369	0.9
91.01908	0.6
93.03458	2.5
95.01365	0.4
98.21976	0.4
106.93142	0.3
107.01381	1.5
108.02208	1.5
109.02945	0.8
111.00877	0.3
116.80666	0.3
117.03464	1.0
123.00877	0.5
123.04515	0.8
131.05011	0.4
133.02956	1.2
135.00853	0.5
137.02477	0.7
141.07086	0.4
143.05016	1.5
145.02950	1.0
148.16490	0.3
151.00357	2.2
153.02040	0.5
154.04314	0.8
155.05077	0.4
157.06575	0.5
159.04555	1.1
161.02426	0.5
163.00380	1.0
164.01108	0.5
165.01865	0.4
167.04976	0.3
168.05759	0.4
169.01346	0.5
169.06616	1.1
171.04478	1.4
173.02397	0.4
173.06181	0.3
175.04001	0.5
181.12335	1.3
183.04509	0.5
183.13945	0.4
184.05283	0.4
185.06030	1.9
187.03960	2.0
189.05606	0.4
191.44199	0.3
195.04510	0.5
195.14078	0.4
199.03984	0.4
201.05589	0.6
202.98824	0.6
211.04001	1.2
211.13385	10.0
213.05528	0.8
214.02757	0.6
220.28242	0.3
223.13356	0.6
227.03375	0.5
229.05067	1.7
239.03532	1.2
241.05150	0.4
243.02902	0.6
255.02936	0.5
257.04440	1.0
268.03812	0.7
284.03558	0.4
285.04025	100.0
286.01212	0.6
286.04327	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	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.03439	0.7
58.00585	0.3
59.01377	11.4
63.02384	0.8
64.33475	0.2
65.00323	2.4
69.84825	0.2
70.80820	0.2
71.01379	1.5
71.05013	0.3
72.02153	0.3
73.02944	11.0
81.03429	0.3
83.01388	1.2
83.05035	0.4
85.02940	0.8
87.04504	0.8
95.05035	0.4
97.06563	0.4
99.04528	2.2
101.20442	0.2
103.03990	0.9
104.24338	0.2
105.03463	0.7
107.01379	4.5
108.02141	0.6
109.02936	0.4
121.02975	0.9
123.04577	0.4
132.02200	0.5
133.02948	23.3
134.03273	0.9
143.05031	0.3
147.04521	0.4
149.02441	3.2
151.00375	8.5
152.01060	0.7
153.01927	0.2
165.12852	0.5
169.06595	0.4
171.04478	0.8
175.03996	5.1
181.12331	9.3
182.12663	0.4
185.06026	0.6
185.11880	0.3
189.05559	0.5
193.15967	0.5
195.13853	0.9
196.05376	0.3
197.06050	0.5
198.03259	0.7
199.03972	3.6
201.01889	1.5
205.15810	0.3
209.15424	0.6
211.04138	0.3
211.13382	1.0
212.54845	0.2
213.05588	0.5
214.02531	0.3
215.03485	0.7
217.05095	2.3
223.04005	0.4
223.13431	0.3
225.11411	1.4
239.03514	0.5
241.05075	1.5
241.17955	0.3
243.02950	0.8
243.12474	0.4
245.01291	0.3
257.04578	0.8
267.03000	0.5
285.04028	100.0
285.17050	27.5
286.04358	5.0
286.17325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
56.37004	0.6
60.91101	0.5
69.46368	1.6
75.92474	0.5
81.03436	0.7
83.77438	0.5
93.03414	0.6
108.02170	100.0
109.02969	19.8
119.52032	0.5
121.02918	0.8
133.03009	0.6
143.74956	0.5
151.03979	1.0
152.01146	63.6
153.01930	34.0
154.02332	1.4
163.04063	1.0
165.01962	0.9
196.38144	0.5
205.36841	0.6
208.53108	0.5
208.89053	0.6
211.42625	0.6
213.77411	0.5
238.39545	0.6
285.06149	69.8
286.06537	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	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
50.59244	0.4
56.72315	0.4
69.71227	1.4
81.03486	0.6
93.03502	0.6
98.21925	0.8
108.02174	100.0
109.02970	16.7
121.02942	0.6
123.04487	1.1
126.29267	0.5
133.02950	0.8
135.00867	0.8
135.04466	0.4
138.07080	0.4
151.03984	2.0
152.01151	66.2
153.01941	34.3
153.03238	0.5
163.04005	1.5
165.01898	1.5
225.04002	0.5
285.06174	77.6
286.06607	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	285.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11266	0.4
68.21661	0.5
68.24908	0.5
77.62248	0.4
81.03458	0.6
90.42876	0.5
93.03487	0.7
108.02171	100.0
109.02975	15.9
110.03334	0.8
123.04504	0.9
127.37241	0.5
133.03011	0.9
135.00784	0.5
151.04050	1.2
152.01154	68.3
153.01939	31.9
153.02872	0.6
154.02252	1.3
163.03983	1.1
165.01910	0.6
197.48485	0.4
220.73582	0.5
232.35887	0.5
285.06158	64.9
286.06488	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	285.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.0
69.03447	0.8
69.45197	2.8
71.01377	1.9
72.00912	3.1
74.02472	8.0
78.95905	1.5
85.02959	1.1
95.01392	0.7
95.05036	1.3
96.96950	4.2
97.02938	0.8
101.02432	0.9
108.02168	15.2
109.02953	92.8
110.03297	1.7
116.05061	20.1
121.02964	0.8
123.00906	1.7
123.04524	16.6
124.04903	0.6
129.05840	1.0
130.06607	5.4
136.01659	0.8
141.01926	3.5
142.06631	5.6
151.04012	1.1
151.07637	1.1
152.01157	19.0
153.01935	100.0
154.02304	2.2
157.07701	0.8
159.09225	3.9
160.54443	0.6
161.04855	0.7
186.05617	1.1
202.98705	0.8
203.08260	42.8
204.08554	1.1
210.01538	0.6
225.06435	30.2
226.06831	1.2
227.84076	0.7
249.07552	0.8
285.06177	91.5
285.09647	14.1
286.06390	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	285.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01382	3.6
68.99819	0.7
69.03449	7.9
71.01004	1.0
71.01379	12.4
72.99300	6.5
73.02953	2.9
79.05534	4.8
80.91522	0.6
81.03454	5.1
83.01397	0.9
83.05023	7.4
85.02934	6.0
85.41302	0.5
93.03440	1.5
95.01368	2.6
95.04990	3.3
97.02930	5.5
97.06590	1.5
99.00882	3.0
99.08135	1.3
101.02428	4.0
103.00394	1.4
107.05024	1.3
108.02172	11.2
109.02316	1.0
109.02959	11.4
109.06608	1.5
110.06110	2.1
111.00872	4.2
111.04510	1.5
111.08130	1.1
113.02454	4.9
119.05000	1.7
120.99614	2.6
121.02937	4.3
121.06602	1.1
122.06100	1.4
123.00900	6.6
123.04521	60.8
123.08129	2.1
124.04813	1.4
125.02424	1.7
125.06075	2.8
133.06610	1.2
135.04529	4.4
135.08148	0.8
136.05348	1.5
137.02431	0.9
137.06062	1.1
137.09674	0.7
139.04039	3.2
141.01939	30.7
143.05013	0.8
143.07146	4.7
145.06583	0.7
148.05267	1.9
149.09700	2.8
151.07639	7.7
152.01128	6.9
153.01956	12.2
159.03029	0.8
159.04503	2.0
161.04544	4.3
161.05836	0.9
161.09641	2.2
162.03185	1.8
163.03949	1.3
163.07634	2.6
165.01921	0.7
166.06354	1.3
175.03940	1.8
177.05545	1.2
177.09178	1.8
180.07932	5.3
180.09300	1.0
185.06059	0.9
187.07651	4.0
187.09122	0.7
194.05826	1.2
195.06628	3.2
195.10281	1.0
196.07358	3.0
199.03987	2.6
199.09752	2.0
200.30458	0.7
205.08687	3.8
208.07376	4.4
209.08170	5.1
211.09810	1.1
213.05582	1.4
215.03424	1.1
217.05040	2.5
223.09747	6.2
229.05051	0.8
231.06500	1.6
237.07556	3.0
239.03522	1.1
239.09210	0.9
241.04977	3.5
241.10796	1.4
243.02954	1.7
249.07669	2.9
255.08757	5.7
255.11237	1.1
257.04590	1.7
267.08774	6.0
284.26773	1.1
285.03906	8.6
285.06232	11.3
285.09738	100.0
286.10107	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	285.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81141	0.5
55.01881	0.7
56.20424	0.5
56.64391	0.5
58.00599	0.8
59.01377	100.0
61.29979	0.5
69.17886	2.1
69.18302	1.2
71.01380	32.6
72.99313	1.4
73.02956	1.3
81.03458	0.7
82.95404	0.8
83.01383	1.4
83.05029	2.1
85.02943	5.2
87.00898	1.4
89.02442	49.9
95.01398	1.6
97.06599	1.8
101.02445	13.9
101.03094	0.8
108.02199	2.1
109.02954	1.6
109.06581	2.5
113.02444	13.7
115.03964	0.5
119.03505	16.4
119.04951	3.2
120.99641	6.0
121.00304	0.5
123.04553	1.5
125.02453	2.2
127.07721	0.7
127.91297	0.5
131.03555	1.8
141.02040	0.5
143.03488	2.9
147.04533	0.6
147.08229	1.0
149.04584	1.5
152.01215	2.1
153.01964	1.9
153.05634	0.8
161.04568	4.1
171.04472	0.6
171.06691	1.1
175.04016	2.2
179.05624	11.3
179.07146	0.8
185.06027	0.5
197.04495	0.8
198.03236	0.7
199.04083	1.9
199.09819	0.6
206.40317	0.6
213.05655	0.9
213.11411	0.5
215.03613	1.4
217.05003	2.6
223.09836	1.8
224.86673	0.5
225.16106	5.3
229.05046	0.8
241.05162	2.8
241.10945	2.3
243.03131	1.5
257.04694	0.8
267.03085	0.8
267.08737	0.6
284.26883	0.8
285.03836	9.0
285.06445	1.9
285.09647	12.7
285.12775	0.7
286.04599	1.0
286.10599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41285	2.5
57.02659	2.2
59.01373	10.2
61.37120	2.4
61.98825	2.9
69.69892	2.1
69.87916	6.2
98.21982	3.3
99.00862	6.7
131.76852	2.4
174.99207	4.9
185.15450	4.9
202.98724	12.6
213.14949	100.0
214.15306	6.0
217.00316	5.4
222.48506	3.2
285.01154	2.4
285.04034	17.8
285.06848	2.5
285.20822	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50810	0.6
55.64149	0.5
57.03428	1.7
59.01375	36.9
62.00698	0.5
62.74861	0.6
63.02402	0.8
63.44289	0.6
65.00306	2.3
67.23543	0.6
69.28692	3.2
70.94759	0.6
71.01373	6.2
72.31448	0.6
72.99279	1.0
73.02941	35.7
80.05329	0.6
81.03436	0.6
83.01387	1.9
83.05026	1.4
85.02934	2.4
87.04490	1.3
87.75468	0.6
90.62392	0.6
97.06567	1.7
97.88599	0.6
98.22584	1.3
99.04514	7.9
103.03986	2.6
105.03435	0.9
107.01385	4.6
108.02185	3.2
109.02911	0.7
121.02910	0.9
123.04546	0.8
127.07668	1.6
127.58001	0.6
132.02151	0.7
133.02945	25.4
137.06108	0.6
149.02422	2.9
151.00365	8.6
152.01062	2.5
153.01872	0.8
165.12805	1.7
171.04572	0.7
175.04021	5.2
181.12329	31.1
182.12619	1.0
185.06152	0.6
185.11722	0.6
187.14978	0.7
189.05568	0.6
193.15909	1.5
195.13922	3.0
197.06044	1.1
198.03189	0.8
199.03922	3.7
201.01920	2.1
202.98721	0.8
205.15936	0.6
207.87848	0.6
209.15466	2.1
211.13394	3.6
217.04980	2.5
225.11348	4.6
229.14342	0.9
241.04977	1.8
241.14436	0.9
241.18155	0.8
243.03035	0.9
243.12340	1.0
252.58820	0.6
267.12134	0.7
285.03989	100.0
285.17047	78.1
286.01407	0.8
286.04382	8.5
286.17453	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	285.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64040	0.3
55.02592	0.3
57.03431	0.4
58.00592	6.2
59.01380	1.8
70.67255	0.6
71.01374	1.4
72.99292	0.5
73.02935	2.2
103.76843	0.4
116.92879	0.3
125.87340	0.5
133.02913	0.4
134.89465	0.5
155.14433	0.4
181.15953	2.6
183.17538	33.2
184.17865	1.6
195.17537	1.8
199.17024	1.1
202.98744	1.2
211.17032	8.0
211.87364	0.3
213.18599	100.0
214.18947	4.2
241.18108	3.2
257.17578	2.1
285.04010	1.7
285.17282	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	285.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05735	0.4
59.01379	100.0
63.39498	0.4
71.01381	10.3
72.99328	0.9
74.25687	0.6
81.03463	0.8
83.01398	1.3
83.05037	3.9
85.02963	2.0
89.02449	14.2
89.03011	0.7
91.05486	0.4
95.01421	0.5
97.06626	1.1
101.02442	4.0
107.05068	0.5
108.02190	2.0
109.02975	1.4
109.06596	6.9
111.00915	0.9
113.02445	3.4
119.03552	4.6
119.05029	14.7
120.99658	24.1
121.06570	0.5
122.00075	0.5
123.04581	1.2
125.02488	1.5
135.04604	0.4
137.06082	3.4
143.03528	0.6
147.08183	1.1
152.01180	1.1
153.02017	1.7
153.05635	0.4
161.04590	0.9
163.04060	1.9
165.05443	0.7
169.08743	0.7
171.06650	0.7
175.04079	1.7
179.05608	3.0
179.10844	0.4
185.06049	0.7
187.04030	0.7
189.05597	0.6
199.04076	1.4
205.08707	0.9
207.15080	0.6
209.40508	0.4
213.05643	1.1
215.03613	0.7
217.05005	2.2
223.09784	1.5
225.16075	11.8
229.05161	0.9
239.03430	0.5
241.05103	2.8
241.10941	2.0
242.02223	0.7
243.03087	1.5
257.04706	1.6
285.03656	7.6
285.06500	3.5
285.09412	7.0
285.12872	0.8
286.04312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
59.01381	6.7
69.23811	10.4
104.87708	2.1
174.99255	2.5
195.17542	8.8
196.17894	7.8
197.18073	13.5
202.98730	6.7
211.17056	2.3
213.18518	4.9
217.00349	3.1
223.20650	56.8
223.22830	3.9
224.21086	2.5
225.18582	2.4
229.20790	4.1
239.18440	2.4
257.20288	7.0
267.19669	28.9
268.75735	2.0
285.03979	4.5
285.20715	100.0
286.21078	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	286.2383
Annotation	Prosopinine
Peak:m/z	Relative Intensity
56.19746	0.5
59.01342	0.9
60.00766	0.7
61.98816	0.6
64.75958	0.5
65.09354	0.5
66.47454	0.5
70.02987	0.9
70.56674	0.7
70.57008	0.7
74.06100	1.5
81.73011	0.6
117.07069	1.3
118.05097	0.6
129.43346	0.6
214.15175	0.7
240.23393	3.1
242.21251	1.7
273.14676	0.6
286.23868	100.0
287.16559	0.8
287.24329	4.3
308.49399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	46.6
61.98834	10.1
69.18039	4.9
101.00945	6.9
115.02525	3.8
117.00444	94.5
118.00553	3.3
136.89130	1.2
141.04138	0.9
141.99968	3.6
142.87622	1.1
143.00107	7.9
143.01988	2.8
143.99696	12.1
144.87384	3.7
144.97479	10.6
144.99930	100.0
145.99501	6.5
159.01494	59.9
159.02843	1.9
160.01636	1.7
174.99506	2.0
185.01146	3.6
186.00795	3.6
186.98492	5.8
187.00986	33.9
188.00485	2.7
198.99504	2.5
201.02602	1.2
202.98898	1.2
217.00589	7.5
226.99004	1.6
241.00514	3.3
243.02031	7.0
245.00073	4.2
259.01581	33.1
260.01663	2.2
285.33945	0.9
287.01120	82.9
288.00998	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	287.0561
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
53.93808	0.4
57.03448	16.8
59.01382	0.9
62.80420	0.4
69.27398	0.8
69.27799	1.2
80.38879	0.4
81.03461	1.9
83.01390	4.3
95.05033	1.5
105.03468	3.9
121.01460	0.3
121.02942	0.5
123.08234	0.3
125.02448	100.0
126.02792	1.9
132.02159	0.5
133.02974	1.4
133.52650	0.4
141.09149	0.9
147.04607	0.7
149.02464	1.9
151.04016	0.4
159.04541	0.6
161.02443	34.0
162.02985	1.2
173.06061	0.6
175.04027	0.8
177.05585	5.1
183.04453	0.4
185.02371	0.5
197.06146	0.4
199.03947	0.5
201.05551	2.7
213.05589	0.6
219.06604	0.7
225.05544	0.9
227.03476	1.1
229.01492	0.4
241.05119	0.4
243.06647	1.3
250.87968	0.4
269.04535	3.1
269.13959	0.9
287.05573	8.5
287.15012	5.7
288.05917	0.7
298.11566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	16.2
59.01363	0.5
62.35106	0.2
63.73373	0.2
67.46809	0.2
69.42265	0.4
69.42664	0.3
77.03973	0.5
77.95428	0.2
81.03452	2.3
83.01386	5.0
95.05019	1.4
105.03464	4.1
109.02950	0.3
119.05049	0.4
121.02941	0.5
124.01639	0.4
125.02444	100.0
126.02768	2.3
132.02200	0.3
133.02954	1.0
137.02455	0.3
137.29091	0.2
145.06586	0.5
147.04520	0.7
149.02444	1.9
149.06078	0.2
151.03990	0.7
159.04507	0.4
160.01674	0.3
161.02440	37.3
162.03046	1.5
167.52977	0.2
171.04539	0.3
173.06076	0.6
175.03992	1.2
177.05568	5.7
181.41437	0.2
183.04503	0.5
185.02464	0.3
197.06000	0.6
199.04112	0.5
200.04843	0.3
201.01878	0.4
201.05586	2.7
203.03497	0.8
215.07127	0.3
219.06645	0.7
225.05611	1.1
225.07516	0.2
227.03490	0.6
229.01372	0.4
243.06519	1.4
245.04678	0.3
251.03317	0.2
269.04526	2.8
287.05606	9.3
287.14328	0.7
288.05978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.8
59.01374	0.6
65.00309	0.4
66.99990	0.3
69.32445	0.9
69.32853	0.6
71.01405	0.3
81.03466	2.1
83.01388	4.0
84.60643	0.3
87.68795	0.3
89.09549	0.3
95.05011	1.6
103.85072	0.3
105.03465	4.6
108.58597	0.3
119.05039	0.4
121.02956	0.3
123.04493	0.3
124.01723	0.3
125.02444	100.0
126.02781	2.0
133.02939	1.4
145.06566	0.4
147.04535	0.6
149.02458	1.7
149.06108	0.3
151.03964	0.3
157.06573	0.3
158.03816	0.5
159.04469	0.4
160.01695	0.3
161.02440	32.8
162.03114	1.9
175.03990	1.3
177.05569	5.4
183.04497	0.5
185.02469	0.3
190.89883	0.2
197.06097	0.5
199.03973	0.5
201.01833	0.3
201.05573	2.4
203.03467	0.5
219.06662	0.5
225.05573	0.8
227.03415	0.7
229.01355	0.4
241.05150	0.5
243.06621	2.0
245.04590	0.6
250.12775	0.3
259.06110	0.9
269.04462	3.3
277.51440	0.2
287.05627	7.2
288.06052	0.5
299.63101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14588	0.3
54.30996	0.3
57.03446	16.7
57.58049	0.3
59.01371	1.3
61.58888	0.3
65.84549	0.3
66.05763	0.3
69.14298	2.0
70.67238	0.3
71.45293	0.3
80.11382	0.3
81.03445	2.1
83.01383	4.6
95.05025	2.0
96.46642	0.3
98.21788	0.7
105.03457	4.8
113.29298	0.3
119.04996	0.5
123.23648	0.3
124.01705	0.3
125.02442	100.0
126.02757	1.8
131.05045	0.4
133.02936	1.0
145.06474	0.4
147.04535	0.8
149.02470	1.8
151.04044	0.4
159.04483	0.7
161.02440	36.2
162.02942	1.4
172.05263	0.4
175.04007	1.1
177.05573	4.8
183.04520	0.5
185.02429	0.5
197.06070	0.6
199.04028	0.6
201.05621	2.9
203.03520	0.7
213.05641	0.4
217.05128	0.4
219.06662	0.7
225.05609	1.6
227.03537	0.8
229.01424	0.7
241.05122	0.5
243.06619	2.1
243.16048	0.3
269.04547	4.1
287.02338	0.4
287.05640	6.5
287.14923	0.8
287.18280	0.3
288.06097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
57.03447	15.1
59.01374	0.9
69.24728	1.1
69.25138	0.5
72.99320	0.7
77.81488	0.2
81.03455	2.7
81.31956	0.3
83.01385	4.7
83.05025	0.6
87.00896	0.4
91.05505	0.4
93.03456	0.4
95.05038	2.0
99.00885	0.5
105.03455	4.0
107.01413	0.4
109.02974	0.6
119.05035	0.4
121.02946	0.8
125.02441	100.0
126.02769	2.2
133.02950	1.8
137.02431	0.4
145.06569	0.7
147.04506	1.0
149.02484	1.5
149.06035	0.4
151.04033	0.6
158.03711	0.4
160.01692	0.3
161.02438	34.7
162.02995	1.7
165.02032	0.3
169.06638	0.3
173.06032	0.6
174.03197	0.3
175.03973	1.6
177.05553	5.8
183.04495	0.6
185.02382	0.5
185.08208	0.6
197.06122	1.5
199.04042	0.7
201.05583	2.5
203.03474	0.4
209.79514	0.3
213.05563	0.6
217.04985	0.4
219.06575	1.3
225.05467	1.1
227.03491	1.4
229.01309	0.9
234.81606	0.4
241.05020	0.4
243.06561	1.5
257.13110	0.3
269.04526	4.6
270.04910	0.3
276.80582	0.3
287.05573	10.8
287.11331	0.9
287.14725	2.2
288.05975	0.7
288.09418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98510	0.5
57.03447	5.1
59.01378	4.2
63.02386	2.8
65.00010	0.9
65.00320	12.4
65.81332	0.6
68.08629	0.5
69.27105	2.3
70.12408	0.5
72.32461	0.5
72.99297	1.4
73.02946	0.6
80.48103	0.6
81.03443	0.8
83.01382	6.8
100.71657	0.5
101.00142	0.5
102.05482	0.5
105.03460	1.3
107.01386	18.3
109.02966	2.6
125.02444	29.0
133.02917	1.0
134.03714	1.5
135.04521	100.0
136.04877	2.5
146.95110	0.6
149.02429	0.9
151.00366	92.3
152.00740	2.4
159.04578	0.6
161.02449	11.3
165.01901	0.9
169.01411	1.2
169.12343	0.7
175.03899	0.6
177.01938	0.6
177.05609	1.5
181.12370	0.8
183.13916	2.0
201.05656	0.7
204.76643	0.5
213.11391	0.7
225.05614	1.4
229.01427	1.1
230.23041	0.5
230.25165	0.7
243.15530	0.6
269.04532	3.0
287.05597	21.8
287.14963	3.8
287.17874	1.1
288.05948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01376	2.5
69.03441	0.5
69.57213	1.8
72.99306	0.8
76.54826	0.5
81.03463	0.5
83.01378	1.7
83.05010	1.8
87.00855	0.5
96.00895	0.5
101.06069	0.5
119.03587	0.5
125.02441	14.2
132.04550	1.1
137.02397	0.7
144.04558	1.0
145.04065	1.2
155.06129	0.9
157.07703	1.3
158.06160	0.6
161.02431	2.8
173.03546	4.0
175.04008	0.5
181.07750	1.5
183.05627	12.4
187.03995	0.8
199.04085	0.6
200.04807	1.0
201.05461	0.6
211.06168	1.3
215.04605	33.4
216.04906	1.6
227.03564	1.0
228.04330	0.7
243.07928	4.2
255.02939	1.4
287.06735	100.0
287.15125	2.3
288.06985	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	287.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26631	2.3
56.09296	2.2
57.03432	9.2
59.01389	22.1
61.98818	2.9
65.00311	6.3
67.01925	2.6
69.03467	6.2
71.44167	2.7
72.99295	6.2
73.02981	2.9
77.75375	2.4
83.01386	3.7
99.14344	2.7
107.65318	2.9
111.08176	7.5
121.02988	6.7
123.00861	3.9
124.01704	2.8
125.02448	59.9
139.04066	3.0
139.07671	19.8
143.05022	9.5
148.01663	18.1
155.05035	8.2
158.03726	4.3
159.04517	22.7
161.02438	19.9
163.04004	27.3
165.01978	5.0
171.04536	18.1
172.05281	11.7
174.03162	3.3
177.05623	3.8
182.03702	5.9
183.04480	10.8
183.06577	9.6
183.10185	6.2
183.98392	13.4
187.04002	88.8
187.09743	4.9
199.00769	12.4
199.03992	33.9
200.04799	100.0
201.05426	10.5
201.07693	17.5
207.03009	15.7
210.03189	4.5
211.04004	45.5
212.04469	3.6
215.04616	17.0
215.07002	5.1
217.05035	3.7
219.06544	8.3
225.05614	6.5
225.11290	7.6
227.03471	26.9
227.09250	4.0
228.04269	99.3
241.00186	3.7
243.02927	4.6
243.06586	72.3
243.08699	7.1
243.12378	3.7
244.06960	6.2
245.04526	21.0
251.09393	3.5
255.02965	89.3
256.03424	3.7
269.04541	5.6
269.10199	5.1
286.98627	8.5
287.05789	78.7
287.11374	30.1
287.14914	13.2
288.06161	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	287.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37104	0.2
57.03447	6.9
59.01377	1.9
60.26733	0.2
69.03451	0.4
69.87705	0.5
71.01381	1.3
79.01856	0.2
81.03455	4.3
83.01382	13.8
85.02939	0.4
95.01383	0.3
95.05007	0.7
97.02937	1.5
99.04528	1.5
101.02441	0.4
107.01426	0.4
108.02142	0.3
109.02984	0.2
113.02445	0.3
121.02917	0.3
123.00906	0.6
123.04533	0.5
124.01662	3.2
125.02442	100.0
126.02765	2.0
128.07193	0.3
129.07492	0.5
130.07745	0.4
130.08737	7.9
137.02422	0.3
139.04037	1.4
149.02438	3.6
161.04572	0.6
167.03493	6.7
174.25661	0.2
179.03539	0.3
197.14932	0.3
211.06090	0.2
226.07019	0.2
280.95779	0.2
287.07593	2.6
287.11319	0.6
288.07663	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.8
59.01377	8.3
71.01380	1.8
71.05036	0.9
71.44292	0.8
72.99305	2.8
73.02943	1.1
81.03436	1.9
83.01376	3.0
83.05008	1.1
84.02177	1.0
85.02943	1.4
87.00878	2.2
95.05011	1.9
95.61929	0.8
96.96009	20.1
97.06592	1.6
99.00879	2.3
99.04499	0.9
105.03461	2.0
109.02949	2.2
111.08142	1.2
113.02510	0.8
115.04025	1.0
115.91164	0.7
121.02975	1.9
124.01625	1.4
125.02446	50.8
125.09715	4.0
127.11272	3.0
130.08739	1.0
133.03046	0.8
133.06573	5.2
135.08165	1.0
137.02414	2.4
139.07719	1.0
143.10768	2.8
145.06606	2.0
147.04517	0.8
149.02425	1.7
150.03239	1.0
151.03987	0.9
153.09174	2.1
155.05359	0.9
161.02441	17.4
163.07628	3.1
171.10263	52.0
172.10583	2.1
173.06042	0.8
175.03961	2.3
177.05560	2.1
197.06140	0.9
199.04289	1.1
201.05495	3.0
206.52600	0.9
207.06580	5.8
215.09229	100.0
215.12790	4.9
215.50232	0.9
216.09550	2.5
218.68666	0.8
225.05653	0.9
225.11296	1.8
227.03551	1.5
227.09203	1.6
239.09225	1.0
243.06711	1.1
243.12296	2.9
251.66780	0.8
259.06119	2.8
269.04492	4.2
269.10117	1.3
287.02277	4.5
287.05579	5.7
287.11301	12.8
287.14966	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	287.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
59.01382	1.6
69.03458	2.7
69.57706	0.8
71.01381	0.8
72.99284	0.3
73.20982	0.2
79.01875	1.2
81.03471	1.1
83.01366	1.2
88.50383	0.2
97.02961	2.7
98.22675	0.3
103.08484	0.2
104.71349	0.2
107.01379	1.6
124.01660	1.0
125.02441	100.0
126.02763	2.0
127.07629	0.3
135.08127	0.5
136.99081	0.2
137.06099	0.3
137.56172	0.2
142.85001	0.2
153.09206	1.1
163.07578	0.2
181.08664	0.2
189.09335	0.3
207.10213	0.9
209.08112	1.0
211.06146	0.7
213.05119	0.2
215.09416	0.2
218.38971	0.2
225.11316	1.4
227.09216	0.8
231.97893	0.2
251.09209	0.4
269.10321	1.1
287.07748	5.8
287.11371	8.8
288.07831	0.4
288.11444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0959
Annotation	Pyrisoxazole
Peak:m/z	Relative Intensity
51.17590	0.9
59.01357	2.8
69.22978	5.1
79.95730	42.5
80.96510	3.6
85.00443	2.4
103.31100	1.2
133.28918	1.0
136.05293	23.5
149.06053	4.0
150.06857	1.9
161.08200	0.9
163.07585	2.2
177.09076	1.0
177.27246	0.9
192.11545	30.5
192.13222	2.1
195.03369	0.9
207.13885	80.4
208.14253	3.3
272.07291	2.4
286.23831	4.1
287.09561	100.0
287.21759	7.6
288.09933	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	287.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86680	0.5
57.03446	0.7
59.01377	20.2
62.90928	0.6
69.03436	1.5
69.43150	0.5
69.49842	2.4
71.01006	1.0
71.01374	10.3
72.99297	3.3
73.02930	1.2
77.36964	0.5
81.03400	0.5
83.01379	0.6
83.05030	1.2
84.02174	0.7
85.02945	1.3
87.00874	0.6
88.24228	0.5
95.05048	1.0
96.55624	0.6
97.02933	0.7
97.06595	1.7
98.21912	1.1
99.02838	0.5
99.04558	0.5
109.06583	4.1
111.04490	0.8
113.02434	0.7
121.02964	1.7
121.06618	0.9
123.04454	0.9
123.08150	1.5
124.01697	3.1
125.02437	1.3
125.06076	0.8
125.09731	0.7
127.07661	4.1
135.04539	2.0
135.08176	4.1
137.06082	2.3
138.03212	0.8
139.07661	1.1
147.04584	0.6
149.06056	1.6
151.07655	0.9
151.11212	0.6
153.09196	12.7
155.07140	2.0
163.07658	2.7
165.05563	1.2
165.09271	0.6
167.07127	2.1
167.10822	0.6
179.10794	1.1
181.08714	2.0
183.06578	0.9
189.09207	3.1
191.07147	4.4
207.10249	13.1
209.08185	11.5
210.08633	0.6
211.06108	13.6
215.09267	5.2
225.11304	17.6
226.11682	0.7
227.09253	14.2
241.10777	0.7
243.08809	0.9
251.09229	2.6
269.10294	11.7
270.10657	0.6
287.11349	100.0
288.11566	4.6
307.77103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.5
59.01372	8.0
63.09885	0.6
69.03452	0.9
71.01374	2.6
71.05019	1.2
72.99308	2.2
73.02914	1.1
75.00463	1.0
75.00875	12.6
81.03459	1.3
83.01400	4.2
83.05032	1.9
87.00874	34.5
93.03480	0.8
95.05027	2.0
97.02957	1.2
97.06582	2.0
99.00877	3.6
103.00358	1.8
105.03487	2.1
108.02207	1.2
109.02946	1.9
109.06593	1.0
111.04533	1.6
112.01682	1.4
121.02960	2.7
121.11340	0.6
123.08179	2.5
124.01669	6.6
125.02442	61.7
125.06079	0.9
125.09723	6.4
126.02771	1.1
127.11285	3.4
133.02937	1.2
136.01607	0.9
137.02431	2.8
137.09726	1.6
138.03218	1.0
140.01176	1.1
145.06636	0.7
147.04704	0.7
149.02467	2.1
150.03154	0.6
151.03964	0.9
151.07611	0.9
153.09210	0.7
155.10799	1.6
161.02440	20.9
161.09763	2.0
162.03038	0.8
163.11179	1.4
165.09242	2.4
165.43567	0.7
167.10837	1.4
171.08214	0.7
171.10194	3.2
173.06085	1.0
175.04016	1.3
177.05582	3.6
179.10774	2.4
179.45908	0.6
181.08705	1.5
181.12375	1.9
183.04472	0.7
183.10332	2.0
183.13994	0.8
187.07732	0.9
187.09726	1.3
189.09198	4.4
195.10213	0.9
197.06198	0.9
197.11861	1.6
199.09755	3.2
201.05635	2.2
201.09575	2.4
201.11307	28.5
205.08669	0.8
207.10222	7.4
209.08162	10.5
211.09778	1.9
213.11311	1.8
215.12875	1.3
219.06514	1.4
223.09750	6.9
225.05623	1.1
225.11327	1.8
227.09245	20.3
228.09644	1.3
229.10831	2.1
229.73793	0.8
233.08244	2.0
239.09254	2.2
241.10867	4.5
243.06599	1.6
243.12479	1.1
251.09230	47.4
252.09550	1.1
253.10826	3.0
259.06171	1.3
269.04562	4.4
269.07419	1.0
269.10339	8.1
287.05695	9.1
287.11368	100.0
288.11676	4.8
288.14636	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01377	18.7
69.45666	2.6
71.01379	9.6
72.99294	2.0
73.02946	0.9
85.02934	0.8
87.00851	0.6
95.05021	1.2
97.06595	1.0
98.21825	1.1
99.04502	1.2
109.06585	2.7
118.44583	0.5
121.02968	1.7
123.08160	1.3
124.01662	2.9
125.02454	0.8
125.06016	0.7
125.09730	1.0
127.07662	4.9
129.69342	0.5
133.88962	0.6
135.04486	1.1
135.08141	2.6
137.06093	1.7
153.09207	12.2
155.07106	1.3
156.34804	0.5
161.09709	0.7
163.07599	1.8
165.09178	1.1
179.10777	2.3
181.08624	1.4
189.09187	3.0
191.07117	3.6
207.10240	10.7
209.08173	11.4
211.06129	1.9
211.15776	0.6
215.09224	4.2
225.11322	14.2
227.09229	12.9
251.09203	3.2
269.10284	9.9
287.11356	100.0
288.11743	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	287.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.1
59.50334	1.3
78.01110	5.8
80.25310	1.4
108.24040	1.3
111.42879	1.6
125.02438	5.7
125.99583	6.4
127.47509	1.5
139.00380	4.6
139.11284	3.3
141.12926	1.6
145.28201	1.4
161.02405	2.1
163.11281	25.4
171.29355	1.4
195.10277	2.6
223.09778	7.7
225.11301	100.0
226.11681	3.2
251.09297	2.7
269.10306	13.5
287.01785	1.8
287.05240	2.7
299.38480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.87017	0.4
57.03207	0.4
57.03440	2.7
59.01377	95.7
60.01715	0.5
69.72365	0.9
69.72742	0.9
72.99303	0.5
83.01384	1.1
96.96033	0.7
97.06614	0.6
98.22618	0.4
99.04536	2.2
107.54848	0.4
125.02441	16.7
139.07581	0.5
161.02455	6.1
165.12874	1.2
167.10822	1.2
177.05562	0.6
201.05579	0.9
207.13863	3.4
209.11853	7.8
225.14940	5.7
227.12878	48.7
228.13274	1.8
243.15599	0.5
251.12874	1.8
269.13925	14.7
270.14404	0.8
287.05710	1.7
287.14993	100.0
288.15308	4.5
301.21915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2226
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01368	1.5
99.08146	1.2
114.92368	0.3
125.02425	1.3
129.09186	0.6
141.12830	1.4
155.14470	0.5
164.72481	0.3
169.01524	0.8
241.21721	1.2
243.17400	0.5
251.09250	1.8
269.21167	3.1
285.20651	2.1
287.22253	100.0
288.22589	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	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01371	2.0
61.98818	0.4
64.51919	0.4
69.61194	0.4
69.61537	1.3
81.03437	2.0
92.05042	1.1
93.03455	1.6
98.22553	0.8
107.03715	0.6
108.02208	0.5
108.04547	4.4
109.02939	5.3
124.01637	0.5
134.02478	37.6
134.86751	0.4
135.03282	9.7
136.04039	37.2
137.02425	1.8
137.04341	0.8
148.04025	0.9
149.04851	1.9
176.03514	4.3
177.04268	0.6
203.53015	0.4
260.16571	0.5
278.83771	0.5
288.16037	100.0
289.16299	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	288.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
59.01374	5.3
70.39275	0.7
71.01363	1.1
72.00883	0.7
73.02939	1.6
75.00878	0.8
78.64815	0.6
81.03430	0.8
83.01378	2.3
85.01792	0.8
85.02951	0.9
87.00871	9.9
90.97107	1.0
109.02963	0.9
125.02444	12.0
125.96317	0.8
126.02796	5.5
127.02883	3.2
128.03539	10.3
128.07158	0.9
130.08734	15.2
131.08322	0.7
131.09087	6.0
132.37640	0.5
132.98212	3.2
142.96628	54.3
145.08955	0.5
145.09856	5.3
149.02417	0.7
157.37112	0.6
157.95328	4.5
160.97685	18.9
163.87878	0.6
167.03481	1.0
169.03864	1.0
170.04680	0.7
173.10429	0.7
174.99254	15.3
175.96361	2.7
184.97675	100.0
185.97995	1.9
198.99222	4.6
200.05641	4.5
201.00842	3.9
202.98740	92.5
203.99107	1.2
217.00371	0.6
226.98741	7.2
228.96686	0.7
229.11873	1.2
243.06296	0.6
244.99780	7.6
245.06653	3.4
253.09154	0.7
270.97723	0.9
271.10361	1.0
288.07617	5.2
288.98849	1.3
289.08511	7.3
289.14090	2.2
289.21863	1.1
290.05374	0.6
290.08691	0.8
301.04199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0353
Annotation	Anhydrofulvic acid
Peak:m/z	Relative Intensity
57.03444	8.4
59.01382	2.2
59.60875	0.7
63.02386	1.7
65.00313	5.1
65.03960	1.5
67.01883	1.5
68.99821	1.6
69.03436	1.5
69.25774	4.2
69.82436	0.7
71.61201	0.7
72.99276	1.0
73.27932	0.6
79.18043	0.8
80.02743	0.7
81.03448	10.3
83.01382	13.0
93.03449	16.4
95.01381	2.3
95.05029	6.9
97.02939	8.9
105.03435	4.7
107.01379	8.0
107.05041	4.0
108.02166	2.4
109.02945	48.6
111.08168	0.9
117.03442	1.6
117.17995	0.8
119.04975	1.6
121.02924	4.9
121.06574	1.3
122.03732	2.6
123.04510	25.5
123.08183	0.9
124.01666	2.2
125.02440	52.8
129.07091	0.9
131.05035	2.5
133.02968	4.0
133.06593	1.5
135.00894	1.2
135.04527	7.8
137.02434	59.2
138.03139	1.3
139.03993	3.5
145.02954	2.4
145.06523	2.1
146.03749	2.1
147.04509	6.8
149.02438	8.5
149.06056	1.7
150.03195	2.7
151.00366	17.7
151.03999	26.3
151.05225	1.4
152.01132	3.8
157.06592	1.4
158.03671	2.0
159.04506	6.5
160.05284	2.2
161.02431	6.1
161.06062	7.2
162.03210	2.8
163.04021	1.8
164.01129	6.5
164.04726	2.0
165.01898	7.0
165.05547	7.7
166.02736	0.9
167.03461	2.3
171.04471	1.6
173.06059	4.1
174.03198	7.0
175.03975	11.3
175.07619	2.7
176.01254	1.2
177.01941	4.2
177.05545	4.1
178.02574	0.9
178.99883	5.4
179.03477	16.2
180.00514	0.8
183.10257	1.1
185.02422	1.2
185.06187	1.0
185.08191	1.8
187.03993	6.0
187.09779	1.1
188.04758	5.2
189.05553	4.5
192.04301	1.4
193.05043	13.1
199.03975	1.8
201.05571	4.9
201.11264	6.2
202.06367	3.0
203.03471	10.0
203.07120	13.0
205.01416	10.8
205.04996	11.1
209.04436	0.9
212.04750	1.0
215.03493	2.3
216.04240	7.6
217.05038	16.2
221.04536	26.0
221.07909	4.6
222.04846	1.0
227.03510	6.5
227.07170	2.7
230.05843	0.9
245.04523	56.6
245.08168	24.5
246.04878	2.9
247.02443	47.2
247.06158	1.6
248.02800	2.0
261.04007	4.5
271.02457	1.3
271.06055	1.6
289.03522	100.0
289.07141	76.6
289.12518	2.1
289.16504	2.1
289.21689	1.3
290.03873	5.8
290.07526	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	289.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72131	0.6
57.03443	5.3
69.03455	1.2
69.48497	2.7
80.02674	0.6
81.03452	5.4
83.01376	5.1
93.03452	3.2
95.01391	0.9
95.05020	6.1
97.02944	10.0
99.04520	0.8
105.03420	1.0
108.02151	1.7
109.02952	42.3
111.04497	1.1
113.65408	0.7
119.08780	0.6
121.02982	4.4
122.03725	1.8
123.04525	26.1
124.04920	0.7
125.02448	27.7
135.04573	2.9
137.02446	14.6
138.03207	2.0
139.04008	6.2
143.05040	0.7
145.02933	2.5
146.03725	2.7
147.04465	0.6
149.02446	7.8
150.03227	2.2
151.04007	14.2
159.04553	3.8
160.05293	2.7
161.02428	1.6
161.06088	7.5
162.03233	2.2
163.04021	1.6
164.01170	5.4
165.01947	7.2
166.02725	1.3
167.03500	2.7
173.06079	1.1
174.03256	1.0
175.04071	2.9
175.07590	3.9
177.05640	0.8
179.03487	10.6
184.05336	0.7
185.06032	1.3
187.04001	6.6
188.04800	5.7
199.07602	0.7
201.05617	0.8
202.06230	2.9
203.07137	17.6
205.05052	12.1
212.04773	1.3
217.08713	0.9
221.08200	6.2
227.07181	3.1
230.05855	1.2
231.03183	0.9
245.08173	29.5
246.08522	1.2
247.06084	1.0
271.06137	1.2
289.07172	100.0
290.07541	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	289.0716
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03444	4.8
69.03419	1.1
69.34485	1.7
69.34876	1.7
81.03461	5.4
83.01374	4.3
93.03461	2.1
95.01379	1.0
95.05030	5.9
97.02946	9.7
97.29211	0.8
108.02164	1.9
109.02950	41.5
115.93282	0.7
117.03448	1.0
121.02964	5.3
122.03729	3.3
123.04521	29.6
125.02435	24.7
127.20376	0.8
135.04520	3.5
137.02443	12.8
138.03200	1.8
139.03999	6.1
141.35818	0.8
145.02950	2.1
147.04425	1.0
149.02455	6.9
150.03191	1.9
151.02855	1.1
151.04012	14.5
159.04497	3.8
160.05295	2.8
161.02444	2.0
161.06021	6.4
162.03198	2.4
163.04016	1.4
164.01128	4.0
165.01912	5.4
166.02617	0.8
167.03514	2.8
175.03970	3.5
175.07623	2.1
179.03485	8.2
185.06093	1.0
187.03963	6.9
188.04741	5.8
197.20393	0.8
201.05463	1.5
202.06375	3.3
203.07140	16.9
205.05072	12.4
212.04778	1.4
221.08110	4.7
227.07158	3.0
230.05876	1.2
245.08163	31.6
247.06181	1.0
264.88190	0.9
289.07159	100.0
290.07513	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03444	4.3
59.01377	0.6
69.03459	1.3
69.32887	1.1
69.33279	1.3
80.02658	0.6
81.03461	5.2
83.01381	4.9
89.57311	0.7
93.03450	2.4
95.01398	1.1
95.05028	6.5
97.02945	11.3
98.22659	1.1
99.04514	0.7
105.03400	0.8
108.02159	1.0
109.02949	44.2
110.03262	0.8
114.39204	0.7
117.03481	0.7
121.02932	4.7
122.03748	3.1
123.00934	0.8
123.04528	27.9
125.02443	25.4
135.04503	3.3
137.01428	0.9
137.02440	15.3
138.03224	2.3
139.04024	6.0
145.02960	1.7
146.03741	1.7
147.04451	1.0
149.02441	6.9
150.03220	1.9
151.04005	13.8
157.06543	1.0
159.04494	4.5
160.05270	2.3
161.02544	1.3
161.06085	7.2
162.03198	2.2
163.03992	1.5
164.01108	5.0
165.01895	5.1
166.02618	1.2
167.03484	2.9
173.06090	1.5
174.03119	1.3
175.04028	3.0
175.07617	3.3
177.05475	0.7
179.03484	9.8
185.06044	1.6
186.06902	0.9
187.03995	5.7
188.04753	5.0
199.07622	0.9
201.05553	1.3
202.06311	2.6
203.03523	0.8
203.07127	20.3
205.05077	12.2
212.04832	1.2
217.04973	1.1
217.08580	1.0
221.08171	6.0
227.07057	3.8
229.05115	0.9
230.05754	1.8
231.02905	1.0
245.04518	1.4
245.08173	28.0
246.08568	0.7
247.02542	0.7
247.06113	1.5
271.06070	1.7
289.07162	100.0
290.07593	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	289.0829
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
50.09013	2.2
51.12474	2.5
58.02974	20.6
59.01371	9.5
59.19744	3.0
66.75465	2.4
69.86131	7.1
69.86494	2.6
70.02970	11.8
72.00904	2.7
72.04548	5.9
72.99297	6.3
73.40749	2.3
74.02469	84.5
83.17404	2.5
83.82451	2.5
98.02482	18.9
98.21999	3.1
116.03527	23.6
116.05034	29.0
120.45005	2.2
125.02422	4.3
130.06546	4.0
142.06622	7.7
150.05681	3.3
159.09241	4.1
166.57635	2.9
185.11815	2.8
201.10297	6.7
203.08258	73.4
204.08525	2.6
215.09206	4.3
245.09305	100.0
246.09756	3.4
265.83511	2.9
277.27277	2.6
289.03690	2.5
289.07217	6.7
289.12820	5.7
289.16162	3.1
306.61566	3.6
307.73441	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	289.0926
Annotation	Osmundalin
Peak:m/z	Relative Intensity
54.06252	0.9
57.03434	1.5
59.01377	47.8
64.74610	1.2
69.03432	1.1
71.01385	2.1
71.44183	1.2
72.99305	33.6
73.28887	1.2
75.14076	1.0
81.15269	1.2
83.05020	4.8
85.02937	2.4
87.00886	7.8
93.03455	1.5
96.96972	1.5
97.06583	2.8
109.06590	5.6
111.04536	1.8
123.08188	6.1
125.02448	2.4
125.06112	1.2
125.09725	7.8
127.04063	1.4
127.07617	4.1
137.09665	3.2
139.07683	2.4
140.23949	0.9
142.96581	2.0
148.21681	1.0
149.92165	1.0
153.09186	1.3
155.07074	2.8
155.10692	1.7
163.07645	1.5
167.07077	2.1
171.10263	2.7
181.08685	3.5
183.06598	2.0
183.10233	2.0
184.97652	3.7
185.08099	1.9
187.09793	3.5
199.09724	5.9
202.98759	4.1
215.09204	8.9
225.07706	1.6
227.09219	10.8
229.07121	10.4
243.08670	15.9
243.10873	1.5
245.10034	1.2
261.09726	1.9
271.08243	8.6
289.09274	100.0
290.09668	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.4
59.01377	7.2
67.77513	1.0
69.03455	1.3
69.98188	2.2
70.40542	0.9
71.01388	2.0
72.99306	63.7
73.02939	1.9
81.03456	4.2
83.01374	1.9
83.05023	13.1
95.05004	2.8
97.02945	3.5
98.00095	1.7
99.04518	1.3
109.02947	11.8
111.00857	1.4
113.02439	1.3
118.98113	1.2
121.02904	1.6
123.04519	10.0
124.84121	0.9
125.02462	8.3
125.06064	1.2
125.09717	2.3
127.04008	1.5
127.11227	1.4
137.02422	5.0
137.09705	1.5
139.11285	3.1
141.05560	2.0
143.10718	2.0
149.02425	1.2
151.04013	4.1
151.07613	2.4
153.09145	1.2
155.10786	5.8
159.06638	2.4
161.06004	2.4
164.01064	1.1
165.01894	2.4
165.09195	2.6
171.10271	38.8
172.10548	1.3
179.03468	2.6
183.06592	1.1
183.10240	11.7
187.03987	1.4
188.04843	1.9
195.06577	2.0
201.07591	1.6
202.06291	1.3
203.07101	4.6
205.05049	3.2
215.09233	100.0
216.09593	3.1
221.08049	2.1
225.64485	1.1
227.07040	1.8
227.09219	25.0
239.05649	1.2
245.08214	9.0
271.08337	7.8
289.03766	2.2
289.06918	28.5
289.12601	1.3
289.16425	2.0
290.07446	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	289.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.01349	2.2
69.26786	0.7
69.27531	3.6
71.05019	3.9
71.55558	0.7
72.99306	100.0
73.02943	2.2
73.99649	1.0
79.95714	1.2
81.03461	0.8
82.42893	0.8
83.01386	1.3
86.03735	1.1
95.05031	1.0
96.96008	21.4
97.02946	1.8
97.06574	1.7
99.04525	1.2
101.06077	1.6
109.02937	3.6
122.81511	0.8
123.04523	3.3
123.08167	1.1
125.02430	3.3
125.06213	0.7
125.09724	9.1
126.02841	0.8
128.98531	0.8
137.02419	1.7
141.09221	4.0
149.02443	0.9
153.09204	3.3
155.14439	1.2
156.42369	0.8
165.01779	1.0
165.12886	4.1
171.10283	1.7
179.03586	0.9
181.12369	2.4
183.13875	2.2
191.10745	2.7
199.09723	2.0
203.07141	1.2
205.05034	1.7
207.10286	1.1
209.11836	8.1
215.12895	3.3
227.12888	72.0
228.13220	2.5
245.08220	2.7
271.11862	63.9
272.12222	2.9
289.03809	5.0
289.07199	12.5
289.12912	52.8
290.13239	2.0
311.62537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66151	0.7
59.01387	1.3
63.09222	0.7
69.48847	2.9
72.99306	96.2
73.99649	1.1
75.67735	0.6
81.03455	0.6
96.35699	0.7
98.59574	0.7
100.87064	0.7
111.08169	1.1
125.02434	1.2
153.12823	2.7
163.61464	0.6
165.12842	7.1
183.13892	33.5
185.11909	0.8
197.11804	3.1
199.13387	18.7
209.11818	6.3
209.76718	0.7
214.60789	0.9
215.12819	3.3
220.97484	0.6
227.12888	11.2
245.13951	1.8
253.10818	32.9
254.11220	1.6
268.17303	0.8
271.11832	10.1
289.12943	100.0
290.13184	4.8
296.71548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78885	0.6
57.03435	2.1
59.01377	1.3
69.91417	2.4
70.66580	0.8
71.04997	4.3
72.99301	100.0
73.02943	2.2
73.99652	1.0
79.95731	1.1
81.03460	1.0
83.01382	2.4
95.05010	0.9
96.95442	1.3
96.96008	12.3
97.02951	0.8
97.06577	3.0
99.04526	1.2
101.06069	1.7
109.02929	3.9
123.04514	3.6
123.08152	1.9
125.02413	4.0
125.06094	1.0
125.09719	8.9
137.02461	1.9
139.03995	0.9
140.79213	0.7
141.09190	4.1
153.09213	3.0
155.14413	1.0
161.06090	0.8
165.12831	5.9
167.62962	0.9
169.08725	0.9
171.10263	2.5
179.03532	1.1
181.12299	2.7
183.13870	2.0
187.03934	1.2
187.09712	1.0
191.10718	2.1
197.11639	0.9
199.09760	3.1
199.13312	1.5
203.07076	2.2
205.04987	1.8
209.11789	8.2
215.12851	2.7
225.11255	1.2
227.12863	73.7
228.13153	2.6
245.08151	3.5
253.10878	1.2
263.12329	0.8
271.11841	68.3
272.12112	2.4
289.03766	4.6
289.07169	14.1
289.12897	49.8
289.21619	1.1
290.13254	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	289.1293
Annotation	Trimethoprim
Peak:m/z	Relative Intensity
59.01372	2.0
69.10605	4.5
72.99304	71.4
99.65106	0.8
140.66650	0.8
146.88971	0.7
153.12862	1.4
163.50288	0.7
165.12839	6.9
183.13901	26.0
184.14156	0.9
191.00195	1.0
197.11786	1.7
199.13391	14.2
203.03207	0.9
209.11774	3.5
215.12834	1.9
227.12856	6.3
239.94148	0.9
245.14006	1.5
253.10811	20.7
271.11823	8.0
283.62234	0.9
289.12930	100.0
290.13281	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	289.2175
Annotation	Ardisinol II
Peak:m/z	Relative Intensity
69.75900	1.0
81.03455	4.0
98.21877	0.3
105.25396	0.4
108.02192	0.4
122.03739	3.9
123.04040	0.4
131.17871	0.3
135.04538	2.0
142.38800	0.3
149.06081	1.4
180.21133	0.3
244.31552	0.3
245.22643	0.3
247.20639	7.8
248.21010	0.5
289.21713	100.0
290.22083	7.3
290.25375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0147
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
55.69661	0.4
56.56274	0.4
57.03422	0.7
59.01379	3.1
60.73136	0.5
61.98827	0.5
71.01379	1.6
71.98283	0.4
72.99306	11.3
73.70062	0.4
81.67194	0.5
83.05043	0.9
93.03448	0.5
101.02420	0.6
102.05605	2.7
110.06113	0.5
113.02429	0.7
117.03429	0.6
118.98057	0.6
119.05027	6.8
125.09766	0.5
127.11233	0.9
128.03555	3.6
135.04530	0.8
135.08241	0.5
135.46796	0.5
137.06094	0.5
139.11267	1.4
145.02956	6.2
146.04617	8.4
147.04512	3.6
153.09158	0.8
155.10732	1.4
157.08759	0.7
158.76971	0.5
163.04045	3.2
164.07152	0.6
165.09276	0.5
171.10268	16.3
172.10532	0.7
173.02432	3.5
174.03111	0.8
175.03964	2.7
177.01909	0.6
181.21539	0.5
183.10251	6.1
185.11836	1.9
187.09738	1.2
190.02702	3.5
191.03499	12.0
191.50629	0.5
192.00755	0.5
197.08218	0.6
199.09831	0.8
201.02071	0.5
202.08783	0.5
203.03508	1.0
204.10445	0.6
211.09782	1.1
217.01378	0.5
219.02962	5.5
227.09245	6.7
229.10741	1.3
245.10226	0.5
247.02472	100.0
248.02786	4.1
255.08730	0.5
273.09793	32.9
274.07358	0.8
274.10187	1.2
291.01483	13.6
291.04086	0.5
291.08017	0.6
291.10919	6.8
291.14337	1.1
291.19650	0.5
292.01617	0.5
292.08243	3.2
299.74359	0.5
314.06976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92801	0.2
59.01374	1.0
60.97511	0.3
61.98816	0.3
65.74073	0.2
70.65940	0.3
74.99065	1.4
78.81718	0.1
81.03421	0.2
93.00138	0.4
95.31739	0.2
103.03870	0.2
121.02958	0.6
123.04543	0.7
127.00149	0.3
141.01770	0.2
149.00955	2.3
161.06377	0.7
162.83945	0.3
167.08607	0.2
192.96472	0.2
192.98103	1.3
206.99690	0.4
209.01259	3.5
209.04303	0.2
210.01347	0.2
217.07190	1.8
218.07289	0.2
225.00775	0.6
275.05963	0.4
277.78360	0.2
289.07538	2.9
291.09085	100.0
292.09219	8.4
295.79871	0.2
307.63672	0.2
309.10156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47153	0.6
55.01879	0.6
57.03445	4.1
59.01369	4.4
60.03565	0.6
71.01409	0.8
72.99306	30.4
79.95749	1.4
80.96509	4.9
83.05005	1.6
86.27439	0.6
99.00931	0.8
100.04074	0.5
119.05019	6.4
121.02969	1.1
125.06062	0.7
125.09695	0.8
127.11275	1.0
127.24423	0.8
128.03523	2.0
137.09735	0.7
139.11301	3.1
141.09221	0.6
145.03008	1.2
146.04630	2.7
149.09720	0.6
152.62878	0.6
153.09184	1.7
155.10764	4.3
157.08685	4.5
165.06888	0.6
165.09232	1.1
166.84244	0.6
167.10771	1.8
171.10272	32.3
172.10542	0.9
183.10262	29.6
184.10561	1.1
185.11845	6.6
187.09792	0.9
189.99374	1.7
191.03467	0.9
193.08691	0.8
199.09749	0.9
201.11246	0.5
211.09763	6.2
217.10876	0.9
221.07892	0.6
227.09251	24.4
228.09535	0.9
229.08868	0.6
229.10732	2.8
231.12292	0.6
245.10254	3.3
247.02417	5.1
255.08765	0.7
259.08228	1.0
269.63824	0.6
273.09796	100.0
274.10202	3.4
291.01541	0.8
291.05307	1.0
291.10791	19.1
291.14441	3.4
292.08224	1.9
292.11212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03440	1.5
59.01368	2.6
61.98835	0.9
69.03473	0.5
69.10458	0.4
69.46894	1.6
78.01095	0.5
92.36138	0.5
93.07083	0.9
97.06570	1.6
109.73881	0.5
110.14110	0.4
121.02984	1.1
121.10233	14.3
123.08188	0.6
125.09737	6.0
127.00141	0.9
139.56915	0.5
141.12852	1.0
165.12871	0.6
179.31757	0.5
185.11823	13.7
191.14412	1.6
192.95758	0.6
197.11781	3.5
209.11783	1.6
211.13397	2.3
211.90424	0.5
243.48405	0.5
247.17021	0.6
247.20714	1.2
263.16559	0.9
268.63828	0.6
273.18570	1.4
291.12643	1.9
291.16229	3.4
291.19632	100.0
292.19968	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40677	0.6
54.78402	0.5
57.03437	0.6
59.01370	2.5
69.77941	1.7
71.05016	16.2
79.09581	0.6
83.05009	0.7
93.71618	0.5
97.06566	4.7
98.21890	0.7
104.69908	0.6
107.55351	0.6
111.08145	1.2
119.08664	1.3
121.10246	5.2
123.08197	1.4
125.09724	2.4
171.10176	1.3
185.11832	5.6
195.13907	0.7
196.00941	0.6
197.11847	1.5
207.13893	1.4
219.13927	1.8
228.03571	0.6
229.19579	0.7
235.17014	2.0
247.20656	2.7
273.18503	3.3
291.19650	100.0
292.20016	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	291.1966
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
55.32938	1.8
59.01382	13.4
61.98810	3.3
63.06999	1.8
67.48839	1.7
71.43693	2.0
81.04809	2.0
95.41209	2.0
121.02958	4.2
127.00134	2.1
127.11254	2.7
137.09715	7.3
141.92398	1.9
162.83891	2.4
171.10262	100.0
210.03761	1.8
230.54193	1.9
247.02548	3.0
247.20639	54.1
248.20932	6.3
249.18568	11.3
258.76672	1.9
263.19983	2.0
277.80548	2.0
291.09167	3.2
291.19632	64.1
292.19949	5.7
313.79208	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.33768	0.7
59.01367	3.3
61.98827	1.4
70.96091	0.9
89.56895	0.8
92.92741	0.9
95.05027	0.8
121.02906	1.2
125.06075	0.9
137.75471	0.8
141.45844	0.9
148.08945	1.7
151.11276	0.9
165.11536	1.5
165.12834	19.5
166.13155	1.0
176.11996	1.0
191.14342	1.4
192.95871	0.8
206.32858	0.9
208.93018	0.8
234.63132	1.0
236.93140	0.8
247.20638	9.2
254.85551	1.1
264.97668	0.9
273.18582	6.3
291.16083	5.0
291.19626	100.0
292.19937	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	291.233
Annotation	Grevillol
Peak:m/z	Relative Intensity
50.85409	0.4
59.01362	1.6
61.98812	1.1
62.22290	0.5
70.17481	0.4
70.83913	0.4
70.84264	0.7
79.05514	1.1
81.03452	5.6
91.73501	0.4
121.02966	0.7
122.03731	3.3
123.04037	1.0
128.49706	0.5
135.04506	0.6
147.60841	0.4
226.95590	0.4
247.24275	3.5
247.88245	0.5
249.22183	10.7
250.22461	0.8
291.09018	2.1
291.23260	100.0
292.23590	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	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44144	1.1
55.01882	1.2
59.01386	2.4
67.01887	1.8
72.00908	6.4
72.04549	4.3
82.02983	79.0
83.01389	11.1
83.03323	1.6
84.04545	9.9
85.02961	1.4
87.00862	1.4
91.05537	7.2
92.62969	1.1
94.02959	5.2
97.11108	1.0
98.02478	21.8
98.03117	1.4
99.00891	2.2
100.04037	10.7
108.04610	1.1
109.33587	1.2
110.02470	1.7
111.03261	19.1
118.06644	4.1
126.01944	2.6
127.00377	8.5
131.05058	1.4
134.17673	1.0
144.08177	2.9
147.04523	34.1
159.08096	2.1
164.07166	45.2
165.07561	2.1
184.07686	20.1
185.06210	1.3
186.09268	12.1
202.08733	23.3
220.09799	1.5
230.08218	23.6
246.07695	100.0
247.07973	3.8
248.09238	3.1
274.07202	48.3
275.07394	2.1
292.08234	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	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.4
66.03477	0.9
70.02982	1.0
70.82259	0.6
71.01376	3.4
72.00900	0.9
77.85769	0.7
85.20609	0.7
91.55279	0.7
93.03455	34.6
96.99332	0.9
114.01974	7.9
117.03477	5.6
119.05029	81.1
120.05383	2.2
129.01924	1.3
130.04251	3.9
131.04984	3.5
139.99922	0.8
144.04559	14.3
145.02959	19.5
145.06554	6.3
146.03430	0.9
146.04590	1.8
146.06120	16.0
147.04536	7.4
157.05318	2.6
161.06108	0.9
162.05615	12.2
163.04063	1.2
170.06044	1.0
172.02513	1.1
172.07677	12.3
173.04774	5.8
173.06075	10.8
174.05449	1.0
188.07173	100.0
189.07527	3.8
199.04013	0.9
214.05206	1.3
216.06653	47.9
217.05017	4.3
217.06924	1.3
248.10403	1.1
260.05640	13.1
261.05618	1.0
292.08417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34158	0.6
53.49813	0.6
59.01377	8.3
69.10682	4.5
71.01359	3.2
72.99303	2.3
82.02966	1.1
83.01417	0.7
85.02946	2.0
85.06571	1.4
89.02428	2.5
93.03441	1.4
95.01394	0.8
98.02496	0.6
101.02431	2.7
102.05605	37.6
113.02429	1.6
117.03452	4.2
119.05022	78.1
120.05337	1.5
128.03535	49.1
129.01933	1.1
129.03842	1.0
131.07159	5.7
145.02945	31.9
145.04103	1.5
146.04585	100.0
147.04559	1.5
159.08147	0.9
161.04561	0.7
162.05583	1.6
163.03999	14.1
164.07153	0.6
172.02460	2.5
174.05519	1.1
184.07637	0.8
188.07164	1.1
202.08757	5.6
204.10272	3.4
230.08194	3.8
246.07846	0.9
248.02744	6.4
248.09273	4.4
249.03920	0.6
274.07227	11.9
274.09991	1.0
275.07571	0.7
292.08249	31.7
293.08966	1.0
293.12469	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	292.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13420	1.4
59.01384	2.0
61.98820	2.1
62.01128	1.6
69.54799	1.6
69.62516	5.8
83.25948	1.6
96.02170	5.1
122.03795	2.2
123.00892	2.7
124.01700	8.7
152.01154	7.0
156.83804	1.5
166.02759	2.1
176.90036	1.9
206.13110	3.3
212.42119	1.7
220.14703	2.2
221.15451	6.8
232.53185	1.7
234.12636	3.6
236.10498	2.9
248.17393	1.7
249.14923	25.1
250.14940	1.5
265.18063	6.2
292.20026	7.3
293.17609	100.0
293.21204	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	293.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
65.03937	0.3
67.88982	0.2
69.08212	0.3
69.13902	1.2
71.01386	1.3
71.01730	0.2
73.02951	0.5
74.38818	0.2
79.95731	0.5
80.96518	10.9
83.98340	0.2
89.02448	1.7
93.71449	0.2
101.02441	0.6
115.77122	0.3
123.32878	0.2
123.81086	0.2
125.02425	0.7
141.07098	1.0
145.25752	0.2
167.05074	1.3
168.05836	0.6
169.06601	3.2
170.06990	0.3
175.90372	0.2
183.04512	0.2
185.06061	0.8
195.04471	2.3
211.03992	18.4
212.04741	7.1
213.05560	100.0
214.05888	5.2
293.01230	8.7
293.14160	0.5
293.17569	1.4
293.20660	0.3
294.01666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
65.03954	2.7
71.01380	1.4
74.28612	0.8
77.03961	0.8
78.37330	0.8
78.95907	1.7
79.95757	0.7
89.08755	0.7
93.03454	9.3
95.01347	0.8
96.96967	1.5
105.03436	0.9
105.07105	6.5
107.05015	1.1
109.02950	5.7
115.05556	1.2
117.07069	0.9
118.04285	0.8
121.02934	2.5
121.06568	5.7
123.00877	0.9
124.01615	0.8
125.02438	1.4
133.06593	16.0
134.03728	1.8
135.49503	0.7
137.02426	4.6
137.06029	1.5
145.05116	0.7
146.03835	1.0
149.02452	3.2
149.04860	1.5
149.06067	30.9
159.04457	1.5
161.02451	1.1
161.06104	3.8
162.03236	7.9
165.00514	1.1
165.01909	16.2
165.05525	2.1
168.88470	0.8
177.05559	60.0
178.05943	1.5
187.04034	3.1
190.02710	1.4
193.05069	5.2
205.05049	9.6
207.01105	0.7
221.04530	47.3
222.04872	1.6
249.04031	100.0
250.04453	3.8
255.58385	0.7
293.03082	7.0
293.06384	1.0
293.12415	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	293.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
59.01386	1.4
59.83871	0.8
65.00304	0.8
65.03954	2.9
70.60024	1.2
74.76080	0.8
77.03952	2.0
79.26543	0.8
81.03444	0.8
93.03445	8.8
95.05054	0.9
97.34442	0.8
105.07073	4.8
105.72103	0.7
107.05066	1.1
109.02938	5.9
115.05544	1.9
117.02940	0.7
117.07125	1.1
118.04248	0.9
121.02957	2.9
121.06606	6.7
123.04488	1.2
124.01559	1.3
125.02405	1.3
131.05057	1.0
133.06596	15.4
134.03717	3.5
137.02440	7.8
137.06010	1.0
147.00832	1.2
149.02428	4.0
149.06078	34.3
159.04478	2.2
161.02434	1.9
161.06068	5.3
162.03220	8.8
165.01926	14.7
165.05516	1.5
174.56816	0.7
175.04036	1.7
177.05565	63.2
178.05884	1.4
183.16530	0.7
187.04019	4.6
189.05594	0.9
190.02728	2.5
193.05029	6.5
203.03461	1.4
205.03287	1.6
205.05035	10.8
221.04533	49.2
222.04787	1.8
231.03006	1.7
231.06473	0.9
233.04488	1.1
249.04028	100.0
250.04358	3.9
275.05545	1.5
283.69626	0.9
293.03000	6.2
293.06686	3.8
293.17642	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	293.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56440	0.7
56.96179	0.6
57.03446	6.0
59.01379	2.2
71.01381	1.1
71.44290	0.8
85.02945	23.6
95.77932	0.8
96.96037	2.6
101.02444	14.6
103.04017	9.2
114.36435	0.7
119.05029	16.5
129.01939	93.2
130.02274	1.4
145.02919	1.1
147.02994	100.0
148.03326	1.0
162.13272	0.7
163.03998	20.0
163.05357	1.1
189.05600	0.8
220.67963	0.8
293.07172	1.3
293.10602	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	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.47991	2.9
59.01379	100.0
69.03447	8.8
69.21911	17.6
71.01011	5.8
71.01379	91.2
71.01776	4.4
73.02940	12.1
80.96506	6.3
81.03452	3.7
83.01399	6.7
85.02940	18.3
86.94962	3.2
87.00872	4.3
89.02441	72.8
97.02936	10.9
101.02440	17.3
113.02447	8.9
124.01691	3.6
125.02467	17.3
131.03479	8.6
149.04510	5.6
158.46808	3.0
177.61325	3.0
233.06732	3.3
293.17508	11.2
305.67700	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	293.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
55.51771	0.5
57.03446	2.3
58.00586	1.4
59.01376	100.0
60.01712	0.7
60.80081	0.6
69.03461	1.2
70.66690	1.2
71.01378	56.8
72.99309	2.2
73.02942	54.0
74.99084	0.6
75.00870	0.6
83.01376	5.4
85.02946	20.3
87.00862	4.4
89.02438	33.5
95.01376	4.6
96.95994	0.6
97.02934	0.5
99.00883	3.4
101.02438	31.9
103.03998	8.7
103.53116	0.6
113.02443	26.3
119.03498	13.4
122.06025	0.6
131.03499	53.4
133.01448	0.7
143.03441	1.6
149.04495	0.7
151.07655	0.8
152.07196	2.4
159.03004	1.6
161.04556	12.5
161.05841	0.9
171.06628	0.7
173.04533	1.4
207.97745	0.6
293.08789	70.2
294.09213	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	293.1183
Annotation	termilignan B
Peak:m/z	Relative Intensity
54.43422	0.5
55.31982	0.5
61.09948	0.5
61.98836	0.9
70.07159	1.5
96.96007	0.7
106.80692	0.6
113.09703	0.9
117.89651	0.5
136.08922	2.4
177.12672	0.6
192.11647	2.5
193.15968	6.1
205.12160	0.7
220.14659	3.8
221.15439	8.4
232.73358	0.6
235.07498	0.6
236.10539	6.1
249.18538	2.2
249.22253	0.5
257.07425	0.6
263.07114	100.0
264.07425	6.0
277.08710	9.1
278.09467	38.4
279.09897	2.6
293.11823	65.4
293.17529	6.9
293.21179	19.4
294.12195	5.3
294.21414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23054	0.4
57.30943	0.6
57.93242	0.5
59.01377	44.5
68.58839	0.5
69.06821	3.5
71.01381	19.5
72.99290	0.6
73.02941	1.7
83.01382	1.4
85.02953	4.5
85.06586	16.4
87.00874	0.9
89.02441	20.2
95.01390	1.4
96.95966	0.5
99.00890	0.6
101.02443	13.8
113.02441	7.8
113.06074	2.7
115.07654	2.3
119.03503	7.8
127.07672	1.9
131.07141	62.1
132.07573	1.1
143.03508	0.8
161.04582	1.2
162.45476	0.6
173.08194	2.0
179.05621	1.1
196.00662	0.6
238.39079	0.6
293.12418	100.0
294.12726	4.6
314.43091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57585	0.8
59.01379	12.1
69.03416	0.9
76.94210	0.8
90.64680	0.8
96.95970	0.8
98.21905	2.4
165.12808	1.1
183.13904	9.8
193.12335	2.7
194.92975	0.9
211.13393	100.0
212.13728	4.9
221.15514	1.7
233.11581	17.3
251.13080	0.9
293.13699	9.4
293.17233	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	293.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12554	0.3
57.03510	0.4
57.53850	0.3
59.01434	0.5
59.30965	0.3
61.98863	0.4
64.70920	0.3
70.89767	0.6
71.01464	0.7
75.07370	0.3
78.01171	0.8
80.02736	0.8
81.03520	0.4
83.05081	0.8
85.62277	0.3
91.55849	0.4
93.29591	0.3
96.96095	0.5
98.74192	0.3
108.45940	0.3
110.00073	2.6
113.44829	0.4
121.10282	0.9
121.23195	0.3
123.00948	0.5
123.08257	0.4
127.42791	0.3
137.99585	28.6
139.00005	0.4
139.11324	0.6
151.00490	1.0
151.11359	0.6
152.01161	5.2
171.10324	1.4
179.14456	2.9
181.15970	34.6
182.16328	1.7
192.11609	0.6
195.08589	0.4
205.16031	0.6
220.14725	2.5
221.15445	6.7
222.15744	0.4
225.15018	0.8
236.10539	5.5
237.14944	28.6
238.15356	1.5
249.22131	0.7
265.14432	100.0
266.14761	4.6
275.20160	1.8
293.14026	22.8
293.17609	2.5
293.21161	25.2
294.14197	1.0
294.21414	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83865	0.3
59.01377	0.6
71.06728	0.3
79.95760	0.3
84.13544	0.3
87.00894	0.3
91.27744	0.3
95.01400	0.9
96.02171	6.6
96.02762	0.5
96.96011	7.0
111.00866	0.8
123.00891	2.7
124.01662	12.3
152.01155	10.4
165.01900	1.6
166.02713	2.5
184.00127	0.9
193.15778	0.3
195.17570	0.3
199.92886	0.3
221.15436	0.7
236.10478	0.5
265.18079	7.3
266.18353	0.4
275.16422	0.3
293.17603	100.0
294.17914	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	293.1757
Annotation	Embelin
Peak:m/z	Relative Intensity
51.93303	0.2
55.39555	0.2
59.01387	0.3
63.32570	0.2
69.58259	0.5
78.12712	0.1
89.79917	0.2
95.01379	1.1
96.02170	6.7
108.84253	0.2
111.00883	0.8
123.00886	2.1
124.01664	9.8
140.53586	0.2
151.00400	0.4
152.01151	9.0
153.01849	0.4
165.01907	1.1
166.02710	2.7
179.03497	0.3
180.44960	0.2
184.00113	0.7
195.17619	0.5
254.50229	0.2
265.18057	5.7
266.18509	0.3
293.17578	100.0
294.17892	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	293.1758
Annotation	Agglomerin C
Peak:m/z	Relative Intensity
57.95049	0.4
69.37371	2.0
71.01379	7.3
79.43078	0.4
89.05518	0.4
117.40473	0.4
129.25676	0.4
139.63104	0.4
148.05305	0.7
156.95541	0.4
161.76097	0.4
164.08395	0.6
177.09206	5.2
190.10106	0.4
192.11560	6.3
205.12328	5.9
212.79253	0.4
218.09381	1.9
220.14676	45.0
221.15450	100.0
222.15765	4.4
231.88252	0.5
235.13298	0.5
236.10530	66.3
237.10925	2.8
239.91327	0.4
289.42725	0.4
293.17587	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93298	0.3
59.01358	0.5
62.74994	0.3
69.76199	0.8
72.39615	0.3
79.62006	0.3
87.00864	0.3
95.01369	1.1
96.02171	5.4
96.96000	0.6
98.21990	0.4
111.00863	0.7
123.00889	1.9
124.01657	9.6
141.42427	0.3
151.00391	0.3
152.01158	9.8
153.01810	0.3
165.01962	0.8
166.02705	2.7
174.42831	0.3
180.04344	0.3
184.00198	0.5
192.42787	0.3
195.17525	0.5
265.18079	6.6
293.17563	100.0
294.17889	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	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42527	0.3
59.01379	0.6
63.97312	0.3
70.66667	0.4
77.88670	0.3
87.79192	0.3
95.01388	1.3
96.02171	7.2
96.95370	0.5
96.96011	9.4
98.22530	0.3
99.08167	0.7
108.66959	0.3
110.03812	0.3
111.00893	1.0
123.00878	2.7
124.01663	11.8
137.22571	0.3
138.03262	0.5
151.00369	0.3
152.01157	9.4
153.01976	0.4
165.01955	1.2
166.02762	2.3
184.00151	0.9
195.17540	0.6
211.13295	0.4
220.14693	0.9
220.37283	0.3
221.15408	0.8
236.10483	1.1
249.18790	0.4
265.18112	7.2
293.17612	100.0
294.17892	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	293.1758
Annotation	Embelin
Peak:m/z	Relative Intensity
51.24268	0.3
59.01357	0.3
69.88063	0.5
74.72632	0.2
77.89118	0.2
87.00835	0.3
95.01373	1.4
96.02168	7.0
96.95995	0.6
111.00867	0.8
116.90841	0.2
117.60355	0.3
123.00866	2.2
124.01655	11.9
127.92673	0.3
128.01213	0.3
138.03249	0.3
151.00378	0.3
152.01149	10.4
153.01831	0.3
159.69357	0.2
165.01909	1.2
166.02707	2.5
167.42700	0.2
184.00113	0.8
195.17525	0.7
212.02603	0.2
221.15666	0.4
221.19151	0.4
265.18076	6.9
266.18524	0.3
293.17578	100.0
294.17905	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	293.1758
Annotation	Embelin
Peak:m/z	Relative Intensity
50.27277	0.3
57.03401	1.4
59.01323	1.2
61.98791	0.6
69.03448	0.4
69.80495	0.7
69.80815	0.4
71.01328	0.6
76.04089	0.3
80.02635	0.6
81.03402	0.7
83.05009	2.5
92.92773	0.5
95.01366	0.7
95.04973	1.0
95.12260	0.4
96.02163	2.5
96.95969	0.4
97.06586	5.8
98.22481	0.6
99.08120	1.0
109.06514	0.5
111.00842	0.9
111.07497	0.5
111.08157	5.1
113.09668	1.4
123.00896	1.5
124.01668	5.0
125.09670	0.9
127.11234	0.4
139.11263	0.5
152.01169	4.5
165.01924	0.6
166.02666	1.2
184.00104	0.5
193.15892	0.7
195.13860	0.4
195.17538	0.5
203.18010	0.7
219.17569	1.1
220.14677	2.2
221.15477	4.9
221.19096	73.1
221.38768	0.4
222.08943	0.4
222.19426	3.5
236.10544	3.8
237.22258	4.8
249.22203	0.5
257.90314	0.6
265.18088	7.0
265.21738	1.9
266.18445	0.4
275.20261	0.4
293.17633	100.0
293.21225	13.8
294.17981	5.0
294.21494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22612	0.8
69.17055	4.3
76.27777	0.6
83.80913	0.7
88.95853	0.7
113.09695	0.9
139.11290	2.8
153.12811	1.4
191.18086	3.9
224.14119	1.2
229.19540	0.9
232.42642	0.8
247.20691	2.3
293.21219	100.0
294.21555	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	293.212
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01374	5.2
69.64915	7.6
70.86269	2.1
81.55733	2.2
121.10233	41.2
121.45975	2.3
133.42950	2.6
136.54173	2.2
171.10263	81.3
196.87874	2.2
231.21188	6.5
275.20145	100.0
276.20691	3.7
280.55072	2.2
293.21237	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
59.99773	0.4
69.30100	1.6
97.06603	0.9
123.08130	0.5
125.09731	3.7
139.11224	0.5
141.12820	1.3
149.09692	1.9
167.14546	0.4
185.11819	10.1
197.11778	2.9
220.15913	0.4
237.22263	0.8
249.22322	1.2
275.20093	0.9
293.21210	100.0
294.21542	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	293.2123
Annotation	Juvenile hormone I
Peak:m/z	Relative Intensity
54.79014	0.3
55.01875	1.8
57.03451	3.1
59.01381	0.5
67.01907	0.3
69.03461	0.5
71.01387	1.2
71.05038	0.4
79.95773	0.3
80.02676	2.0
81.03458	3.7
83.01386	4.3
83.05029	3.0
84.02155	1.3
85.02948	7.5
93.03454	0.4
95.01406	0.5
95.05029	0.8
96.02188	1.1
96.96015	8.0
97.06649	0.6
98.00095	2.4
107.05033	0.4
108.02176	11.5
111.00881	44.5
111.08181	0.4
112.01678	1.1
121.02905	0.4
122.03742	6.0
123.00901	0.5
123.04558	0.3
123.08137	0.4
124.01670	2.2
125.02454	2.9
127.00420	0.6
129.99086	0.3
135.67430	0.3
136.05319	0.5
139.04030	0.5
151.11272	0.3
152.01131	1.9
166.02684	0.4
167.07072	0.3
181.08720	2.6
191.14409	0.4
192.11499	0.4
193.15926	0.3
197.08327	0.3
207.10382	0.3
207.17545	1.7
217.19641	0.4
220.14702	1.2
221.11925	0.4
221.15469	2.7
221.18964	0.7
225.18587	2.5
231.17595	0.4
233.19109	2.4
235.13319	1.4
236.10484	2.0
247.20567	0.6
249.14912	1.5
249.22215	2.2
261.18579	58.2
262.18942	3.4
263.20145	1.0
265.18073	1.2
265.21640	2.3
275.20218	0.6
277.18033	0.3
278.18857	26.8
279.19324	1.6
293.17725	27.1
293.21231	100.0
294.18005	1.7
294.21567	5.7
310.17819	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.8
57.10381	0.4
58.37479	0.4
59.01366	1.8
66.50605	0.4
69.85715	0.5
69.86054	1.4
74.09045	0.4
96.03696	0.5
97.06566	1.0
100.01437	0.4
102.37823	0.5
109.06597	0.7
113.09724	15.5
121.10217	0.9
125.09694	0.5
128.28517	0.5
135.11861	0.5
139.11304	1.5
142.43137	0.4
167.10760	1.8
171.10252	1.6
176.97760	0.5
177.12758	0.7
177.27226	0.4
179.10789	2.1
185.11867	0.9
195.13948	2.6
248.37688	0.6
249.22208	1.8
275.20074	2.7
293.21216	100.0
294.21545	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
59.01369	2.3
69.03436	1.4
71.01366	1.0
78.81969	0.8
78.95901	0.7
83.05048	0.8
83.77359	0.6
98.21836	1.3
123.08147	1.4
136.08908	1.5
139.11247	1.7
141.09242	0.9
151.11238	1.7
152.01189	0.9
152.91820	1.0
153.12830	0.9
168.49246	0.7
169.12354	2.7
192.11505	1.1
193.15971	2.9
197.11826	35.2
198.12215	1.1
205.12350	1.3
220.14618	4.0
221.15489	9.2
226.30647	0.7
229.34541	0.7
231.21173	1.0
236.10574	6.7
249.22206	0.9
274.87982	0.8
275.20160	22.3
276.20566	1.5
293.17752	8.5
293.21204	100.0
294.18222	1.0
294.21503	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	293.2121
Annotation	3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid
Peak:m/z	Relative Intensity
51.50578	0.4
52.16130	0.4
59.01368	0.9
61.98832	0.5
63.30696	0.4
63.81441	0.4
69.47207	1.4
69.47569	0.6
71.01389	0.7
80.02682	0.4
83.04975	0.4
91.20848	0.4
95.01412	1.1
96.02168	4.7
96.96011	4.8
111.00915	0.7
123.00883	18.4
124.01660	33.0
137.02432	1.5
138.03256	0.3
139.57994	0.4
152.01157	9.6
156.00648	0.8
160.47888	0.4
165.01904	1.1
166.02759	2.7
184.00134	0.9
192.11560	0.4
193.15964	0.7
195.17441	0.7
220.14720	3.6
221.15463	7.2
221.19070	1.1
223.20663	8.5
236.10541	4.3
265.18121	5.4
293.17609	85.1
293.21216	100.0
294.17929	4.8
294.21545	6.0
309.10120	0.3
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	13-OxoODE
Peak:m/z	Relative Intensity
59.01390	0.2
61.98814	0.2
71.31409	0.2
80.02690	0.8
81.03475	0.2
83.05012	0.4
91.16846	0.2
96.02146	1.2
96.96001	1.3
111.00887	0.3
123.00883	18.9
124.01662	26.1
137.02443	1.7
138.03232	0.2
146.38495	0.2
152.01151	1.9
156.00642	0.6
165.01904	0.4
166.02647	0.4
184.00209	0.2
202.41742	0.2
209.90559	0.2
220.14671	0.9
221.15508	1.5
221.19131	1.1
223.20671	7.8
224.21057	0.3
236.10524	0.9
265.18158	1.3
270.05154	0.2
283.32941	0.2
293.08942	1.3
293.17685	23.9
293.21234	100.0
294.17969	1.4
294.21454	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	293.2122
Annotation	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
Peak:m/z	Relative Intensity
59.01369	0.7
61.94640	0.2
61.98819	0.6
65.43250	0.2
68.08433	0.3
68.99841	0.3
70.50220	0.2
71.01385	0.4
71.18373	0.2
71.44083	0.2
95.01355	0.3
95.05038	0.3
96.02168	1.4
96.96006	9.8
97.06582	0.7
109.02938	1.0
111.00874	0.7
111.08171	0.3
121.03020	0.3
122.89381	0.4
123.00884	3.1
123.04496	0.7
124.01669	3.3
135.08159	0.2
136.05292	1.3
137.02440	9.0
138.03224	3.1
147.04497	1.7
148.05258	0.8
148.08961	0.3
151.04015	1.4
152.01141	2.7
153.01933	0.3
161.06122	0.4
161.32254	0.3
162.92619	0.2
163.07594	0.4
165.01949	0.4
165.05531	0.5
166.02681	0.6
166.06357	1.4
167.14418	0.6
176.08365	1.1
177.09149	0.2
179.07106	0.7
180.07933	1.1
180.09222	0.2
184.00198	0.3
192.11487	0.4
193.16000	0.6
195.17598	0.3
203.74092	0.2
205.12218	0.4
212.19353	0.2
219.17432	0.6
219.21214	0.4
220.14665	1.9
221.15475	5.0
221.19060	3.8
221.50858	0.2
222.15929	0.3
222.19446	0.3
231.21146	0.7
232.14774	0.3
234.16284	0.4
236.10527	3.5
237.22212	0.7
246.16238	0.4
247.16925	0.7
247.20644	1.6
249.14926	13.0
249.18559	15.8
249.22427	0.6
250.15723	12.7
250.18723	0.8
251.16191	0.6
257.90228	0.8
260.17816	0.4
263.20142	0.4
265.14520	1.9
265.18048	2.0
265.21671	3.0
275.20114	4.6
293.17657	40.0
293.21176	100.0
294.17963	2.5
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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	6.5
61.98817	7.4
62.20797	1.9
71.01366	3.6
78.95914	2.5
82.22135	2.3
83.66817	2.0
96.34821	1.9
101.73563	2.1
109.29354	1.7
113.09723	12.6
124.01626	4.9
152.01164	4.8
152.91765	3.7
167.06265	3.7
170.92960	2.4
177.09271	2.1
179.10854	2.4
185.11800	4.2
192.11639	2.2
194.92751	4.0
205.12434	3.2
218.09991	2.0
220.14648	16.3
221.15440	36.8
226.80054	2.1
236.10532	24.2
251.12901	4.0
254.85767	2.7
257.89996	2.5
265.18027	3.0
293.14273	2.4
293.17563	54.1
293.21176	100.0
294.18076	4.0
294.21524	5.9
297.22983	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	293.2121
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
76.74515	1.2
90.50267	1.3
121.10276	1.6
140.53738	1.1
153.24236	1.2
167.10901	1.3
171.10280	3.8
179.14249	1.5
195.13872	12.2
196.14645	1.3
223.13387	9.0
224.14005	2.1
256.13162	3.8
275.20126	11.7
293.21216	100.0
294.21616	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
59.01369	2.3
69.03436	1.4
71.01366	1.0
78.81969	0.8
78.95901	0.7
83.05048	0.8
83.77359	0.6
98.21836	1.3
123.08147	1.4
136.08908	1.5
139.11247	1.7
141.09242	0.9
151.11238	1.7
152.01189	0.9
152.91820	1.0
153.12830	0.9
168.49246	0.7
169.12354	2.7
192.11505	1.1
193.15971	2.9
197.11826	35.2
198.12215	1.1
205.12350	1.3
220.14618	4.0
221.15489	9.2
226.30647	0.7
229.34541	0.7
231.21173	1.0
236.10574	6.7
249.22206	0.9
274.87982	0.8
275.20160	22.3
276.20566	1.5
293.17752	8.5
293.21204	100.0
294.18222	1.0
294.21503	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	294.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70357	6.9
59.01374	100.0
61.98827	8.9
71.01385	47.6
71.42904	6.3
78.95872	9.9
80.16402	6.2
85.02953	15.4
89.02446	48.7
96.96011	28.2
101.02428	37.2
109.02952	7.2
113.02425	16.4
119.03498	22.0
125.02486	11.2
126.98878	14.2
137.61153	7.2
145.06134	6.7
150.96429	7.4
180.06660	8.9
208.99307	8.2
217.02257	14.6
251.11322	9.1
294.13269	10.0
294.93854	9.6
295.10358	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
80.02661	0.3
91.77051	0.3
95.01373	0.7
96.02176	4.1
96.96009	0.6
97.02479	1.9
111.00864	0.9
123.00906	1.6
124.01680	7.3
125.01988	3.7
152.01135	5.7
153.01471	4.2
165.02016	0.4
166.02672	1.5
167.03049	1.4
184.00102	0.4
185.00482	0.4
190.86855	0.3
196.17853	0.5
222.19258	0.3
265.17938	0.4
266.18387	6.4
276.16733	0.4
289.16690	0.3
294.17905	100.0
295.18164	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	294.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
80.02661	0.3
91.77051	0.3
95.01373	0.7
96.02176	4.1
96.96009	0.6
97.02479	1.9
111.00864	0.9
123.00906	1.6
124.01680	7.3
125.01988	3.7
152.01135	5.7
153.01471	4.2
165.02016	0.4
166.02672	1.5
167.03049	1.4
184.00102	0.4
185.00482	0.4
190.86855	0.3
196.17853	0.5
222.19258	0.3
265.17938	0.4
266.18387	6.4
276.16733	0.4
289.16690	0.3
294.17905	100.0
295.18164	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	295.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16148	0.3
56.77019	0.3
59.01376	3.5
60.84477	0.3
65.60751	0.3
71.26756	0.4
72.99289	1.6
79.95759	1.2
96.96005	100.0
119.05016	0.8
125.09718	0.9
131.03468	0.3
133.91438	0.3
135.08212	0.3
135.46979	0.3
149.04561	1.1
153.09209	5.0
163.03969	0.7
169.08624	0.8
171.10277	0.9
197.08220	0.5
215.09229	20.5
216.09564	0.8
229.29947	0.3
295.04904	31.4
296.05215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0824
Annotation	Dehypoxanthine futalosine
Peak:m/z	Relative Intensity
54.03755	0.6
59.01369	2.1
59.41803	0.6
60.04100	0.6
65.54359	0.5
70.93054	0.7
79.05533	1.4
81.03460	24.2
83.05023	13.2
92.68739	0.5
109.12386	0.6
113.34210	0.5
123.04527	100.0
124.01675	1.0
124.04865	2.2
125.02431	0.9
127.04041	1.3
132.24365	0.6
147.08171	0.9
149.02380	1.3
151.03986	1.0
156.21617	0.6
161.02466	0.7
163.07629	0.6
165.09216	1.3
171.08203	0.9
175.03954	1.1
178.02681	0.7
179.03487	3.1
189.09219	4.4
190.02715	1.4
191.03493	1.0
203.03554	0.8
204.04272	1.2
215.07147	1.7
216.75531	0.7
226.85329	0.6
233.08160	7.5
251.09239	57.2
252.09531	2.3
259.06134	1.0
277.07172	8.0
295.01099	0.8
295.05273	0.7
295.08246	17.4
295.11618	1.3
295.18790	0.7
296.08640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09459	0.8
56.99794	0.9
57.03447	1.5
58.00562	0.8
59.01377	83.0
60.68631	0.8
69.40802	3.8
71.01379	35.1
72.99314	1.0
73.02931	2.4
75.00853	1.6
83.01357	1.7
84.15067	0.8
85.02934	8.2
85.48352	0.8
87.00876	1.7
88.98810	0.8
89.02441	37.6
95.01381	2.6
95.62424	0.8
96.96015	1.2
100.94171	0.7
101.02440	21.3
103.00351	1.5
113.02441	13.4
115.00404	4.5
115.04015	2.4
119.03490	18.3
125.02438	1.1
131.03503	1.1
133.05058	3.6
138.51807	0.8
143.03539	1.0
149.04507	0.8
161.04553	2.5
175.10585	0.8
179.05655	2.4
243.21404	0.8
270.12064	1.0
295.10324	100.0
296.10678	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07209	0.7
57.30004	0.8
58.00607	1.1
59.01378	88.3
62.50504	0.8
63.15245	0.7
70.29511	1.1
71.01379	36.1
71.05011	1.1
72.99274	0.8
73.02947	1.2
75.38864	0.9
79.02972	0.8
81.67750	0.8
83.01393	2.1
85.02947	7.9
87.00889	1.2
89.02442	43.8
93.53104	0.8
94.88679	0.7
95.01373	2.5
96.96014	1.6
101.02438	21.2
113.02450	15.8
119.03498	16.0
128.29860	0.8
131.03510	1.6
133.05045	1.3
143.03488	1.7
172.12694	0.8
179.05623	2.9
194.15469	0.9
295.10324	100.0
296.10544	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03461	1.1
58.00574	1.0
59.01376	100.0
60.01698	1.0
62.43899	0.5
66.18942	0.5
69.98555	0.5
71.01379	36.5
71.33675	0.5
72.99318	2.0
73.02947	3.5
75.00869	1.0
78.95929	0.5
83.01405	2.5
85.02946	8.5
87.00889	1.4
87.04536	0.5
89.02442	33.9
95.01385	3.2
96.95990	5.1
98.99312	0.5
99.00864	1.4
101.02442	22.9
109.02962	0.7
113.02448	13.5
115.03996	1.4
119.03493	16.7
125.02477	0.8
126.98853	4.0
131.03494	1.8
133.05083	2.7
143.02054	0.6
143.03465	1.2
147.06628	0.6
149.04491	0.9
153.01978	1.1
161.04529	3.7
179.05650	2.1
179.07133	0.7
180.06775	1.0
235.08214	1.9
253.09247	1.9
258.90921	0.6
259.08191	1.1
269.00073	1.2
295.10345	72.0
296.10785	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1186
Annotation	Amotin
Peak:m/z	Relative Intensity
57.03453	9.1
59.01371	8.4
63.12914	1.3
64.73154	1.3
69.03462	3.8
69.37249	5.5
69.37666	2.5
71.01367	1.8
72.89724	1.3
73.02941	2.3
79.05562	2.3
80.96510	3.1
81.03452	2.3
83.05022	5.2
85.02953	6.1
93.03457	1.6
95.05032	28.3
96.02174	1.7
96.96013	15.0
97.02943	3.8
98.22617	2.5
105.07130	2.0
109.02938	5.5
109.06612	3.6
110.03725	1.7
111.04532	17.7
111.08143	2.9
113.02412	1.9
113.06091	27.2
115.04008	5.2
121.06579	7.3
121.10229	1.5
122.03762	2.7
123.04525	10.0
123.08156	5.6
124.05330	2.6
125.06155	1.4
126.67188	1.3
127.07655	5.8
133.06619	1.8
134.07376	1.9
135.08122	1.9
137.06078	5.2
137.09712	5.3
138.06841	2.9
139.07634	8.0
144.06580	1.5
147.08150	2.8
149.09715	12.4
151.03992	1.6
151.07613	3.3
155.07143	3.2
163.04044	1.6
163.11229	4.1
165.09167	8.1
171.11763	8.3
173.09676	3.0
182.14212	1.6
187.11235	1.9
189.12843	92.9
190.13161	4.2
207.13864	8.9
208.14365	1.6
233.04552	3.3
233.11772	3.2
251.05678	4.5
251.12880	100.0
252.13246	3.6
264.08755	2.5
295.04718	7.8
295.08615	5.4
295.11850	87.2
296.12109	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	295.1337
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
59.01441	0.6
60.99674	0.4
62.31663	0.5
70.65627	0.9
116.70078	0.5
134.03789	0.8
177.01927	0.6
178.02838	1.5
183.08235	0.7
195.08234	1.7
195.17537	6.1
209.15555	2.3
209.76717	0.5
211.07645	4.1
222.06857	0.6
223.16943	0.5
233.09663	1.2
239.07138	11.5
239.09386	0.9
251.10614	0.8
251.16547	1.5
254.09535	2.0
260.08487	0.7
261.09183	24.4
262.09799	2.3
263.10751	65.2
264.11179	4.0
267.16013	0.9
277.21698	2.5
279.10242	12.5
280.11032	94.0
281.11407	5.6
295.13348	100.0
295.22635	6.0
296.13690	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69225	0.4
53.60894	0.4
59.01377	100.0
66.98602	0.5
69.98047	1.3
71.01399	1.2
77.34789	0.4
83.00060	0.4
85.02986	0.9
85.96674	0.4
89.02476	0.7
96.96017	0.6
101.02463	0.9
113.02437	0.6
132.99031	0.5
161.04567	0.9
235.11984	1.9
247.01282	0.5
295.10272	0.6
295.13202	0.7
304.48328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75366	0.6
52.16969	0.5
59.01375	100.0
69.67829	0.5
69.90889	1.2
69.91224	0.7
71.01382	1.3
72.90669	0.6
76.04508	0.5
79.17664	0.5
94.26776	0.6
94.40491	0.5
96.96019	0.6
97.18169	0.5
101.02465	0.8
159.74698	0.5
161.04543	0.8
216.59650	0.5
235.11963	2.4
249.52473	0.5
260.83499	0.5
294.03040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1547
Annotation	Mairetolide D
Peak:m/z	Relative Intensity
50.28911	0.5
73.39664	0.4
78.11188	0.4
80.02663	2.4
81.03441	0.8
83.05002	1.2
98.21864	0.9
161.67070	0.4
193.15948	5.5
195.17525	100.0
196.17886	4.1
223.04164	0.4
239.16510	2.1
251.16527	5.6
260.21591	0.5
267.15988	20.6
268.16489	0.8
274.26428	0.4
295.15509	17.9
296.15826	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	295.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36692	0.5
59.01358	0.9
61.98830	1.1
66.04364	0.5
67.76856	0.5
69.73394	1.8
69.73751	0.6
70.04739	0.4
73.02930	1.5
77.22330	0.5
86.53878	0.5
96.27719	0.5
99.74532	0.5
106.75563	0.5
138.78174	0.5
144.72026	0.5
195.17647	1.0
223.20702	1.7
225.20856	0.6
226.09315	0.5
251.20145	100.0
252.20493	5.9
253.21735	0.8
267.05319	0.5
267.23273	1.1
280.16791	0.6
295.09964	1.2
295.19110	42.7
295.22723	11.7
296.19406	2.3
296.22867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1913
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
50.52417	0.7
57.01477	0.7
59.01384	1.0
61.98840	0.8
66.79545	0.7
69.32996	4.0
72.36056	0.9
73.02951	0.9
92.92804	0.8
95.68927	0.8
122.51951	0.8
161.26607	0.8
164.89766	0.8
178.02689	2.2
190.28957	0.7
195.17601	1.9
197.19054	1.0
217.60953	0.9
221.18909	1.1
223.20749	4.4
225.18346	0.9
251.20152	100.0
252.20532	5.5
295.09760	6.0
295.19067	50.2
295.22659	13.1
296.19400	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.59926	1.2
59.01377	2.9
66.43815	1.1
98.21769	2.3
113.09715	1.3
128.95520	1.2
140.95097	0.9
141.41714	0.9
145.73497	1.1
150.03108	1.1
153.40706	0.9
155.22133	1.1
178.02707	3.6
180.28008	1.0
183.13873	3.0
195.13876	17.1
195.17566	7.2
223.20638	8.6
224.20906	1.3
251.23817	1.3
267.16037	1.3
277.21732	17.2
278.22058	1.9
295.09818	12.7
295.19162	10.1
295.22736	100.0
296.23068	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.18496	0.4
57.03427	2.2
59.01365	2.8
68.52531	0.4
69.03434	0.7
69.55980	1.9
77.44593	0.4
94.25640	0.4
98.17881	0.5
98.22591	0.9
125.09673	0.7
137.09669	0.8
139.07579	0.7
139.11214	0.5
151.47603	0.4
155.10774	0.6
155.14413	3.9
171.10266	24.5
177.01974	0.5
178.02698	1.6
183.10214	1.7
183.13881	0.6
195.13889	2.4
195.17535	2.5
223.20660	3.2
251.23752	1.2
267.16086	0.5
277.21707	34.1
278.22040	1.7
295.09781	4.7
295.19244	6.7
295.22729	100.0
296.19717	0.8
296.23080	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.24170	0.8
53.01282	0.6
55.85773	0.6
57.03452	0.7
59.01358	0.8
61.96494	0.6
63.94601	0.6
69.03466	0.7
69.76510	2.4
71.63844	0.6
75.35091	0.7
80.56841	0.6
98.21837	1.0
125.09731	1.9
131.51089	0.8
141.12863	1.8
151.11215	0.7
171.10260	47.1
172.10550	1.2
179.68896	0.8
245.88326	0.8
277.21713	60.2
278.22162	4.2
295.22760	100.0
296.23062	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	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.30258	0.4
59.01379	1.0
61.98821	2.2
69.74738	0.5
70.84857	0.8
72.99303	0.5
83.05020	0.5
84.02211	0.4
89.70878	0.4
92.92802	0.8
94.92522	1.1
95.05031	0.7
96.95976	0.6
98.95591	0.7
106.63641	0.5
109.06618	0.5
116.92907	0.7
117.40434	0.5
119.94690	1.4
120.14001	0.4
121.03117	0.5
121.94400	0.4
122.89397	0.5
127.11259	0.8
139.93951	0.4
141.12856	8.3
142.13161	0.4
144.31894	0.5
155.14439	4.3
169.16002	0.5
178.02687	0.7
178.94220	0.4
191.18170	0.4
195.17519	4.0
223.20752	0.6
231.21286	0.5
239.23811	0.9
247.20494	0.4
249.22252	8.4
250.22536	0.8
251.20197	0.8
259.89545	0.4
267.15982	0.8
277.21744	0.5
295.09665	1.8
295.18158	2.8
295.22757	100.0
296.23145	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03441	0.7
59.01370	1.5
70.12289	0.8
91.65740	0.4
97.06561	0.4
99.08167	0.4
112.94626	0.3
113.09720	2.0
152.03651	0.3
177.12868	0.5
179.14494	0.7
181.12376	0.6
195.13896	17.5
196.14282	0.5
245.32480	0.4
277.21716	16.1
278.22046	0.8
295.22763	100.0
296.23108	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	295.2276
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
52.69979	1.1
59.01372	3.6
61.98802	1.7
70.99564	1.0
71.46402	1.2
88.36865	1.1
92.92805	1.5
106.58904	1.1
113.09703	2.6
139.07657	1.1
157.08694	72.0
158.09019	2.1
173.43178	1.1
178.02676	3.3
191.75928	1.0
195.17574	2.7
223.20683	1.9
277.21725	59.1
278.22067	2.7
295.09851	8.7
295.18481	6.3
295.22748	100.0
296.20331	1.1
296.23004	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59926	1.2
59.01377	2.9
66.43815	1.1
98.21769	2.3
113.09715	1.3
128.95520	1.2
140.95097	0.9
141.41714	0.9
145.73497	1.1
150.03108	1.1
153.40706	0.9
155.22133	1.1
178.02707	3.6
180.28008	1.0
183.13873	3.0
195.13876	17.1
195.17566	7.2
223.20638	8.6
224.20906	1.3
251.23817	1.3
267.16037	1.3
277.21732	17.2
278.22058	1.9
295.09818	12.7
295.19162	10.1
295.22736	100.0
296.23068	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	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72170	0.9
57.34358	0.9
59.01373	1.3
61.98819	2.5
74.99066	3.7
75.64130	0.9
89.04300	6.2
93.00115	1.3
103.01409	1.0
111.87453	1.1
121.06582	14.7
149.00952	37.3
150.00935	1.4
163.11288	10.7
167.37971	0.9
172.35188	1.1
183.01180	4.9
197.19128	2.2
206.99684	1.2
208.97647	1.0
215.96097	1.7
223.02792	5.1
225.00732	2.0
225.14998	1.1
253.17865	1.3
253.21738	9.6
264.98434	19.6
265.98471	1.3
279.85706	1.7
281.01544	5.7
282.99542	2.4
297.04697	100.0
297.15250	10.3
297.18607	10.7
297.24164	22.7
298.04694	8.7
299.02609	8.1
301.00366	1.9
315.05698	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	297.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27295	1.1
56.50054	1.3
59.01373	1.4
61.98824	3.5
70.34727	1.2
72.96715	1.4
74.99072	5.0
89.04270	7.1
93.00158	2.0
94.92458	1.5
104.61839	1.5
105.36349	1.2
119.94600	1.3
149.00957	42.0
183.01189	5.6
197.19080	2.3
208.97610	1.6
214.89661	1.8
215.95995	2.3
223.02808	4.7
225.00713	1.9
237.60173	1.2
253.21715	16.8
264.98444	22.2
265.98257	2.3
279.85748	2.1
281.01587	5.5
282.99466	3.1
296.23126	8.8
297.04700	100.0
297.15411	12.0
297.20706	9.4
297.24319	24.7
298.04758	8.4
299.02563	8.1
301.00879	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	297.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46324	0.8
62.08836	0.9
65.03961	5.6
70.31414	1.7
78.97504	0.9
81.03480	1.5
89.03994	2.4
91.01884	1.2
91.05537	7.9
93.03440	6.8
95.05025	1.6
103.05552	2.2
105.03458	1.4
107.05012	5.3
109.02963	8.8
114.57420	0.8
117.03473	1.4
119.05026	6.5
121.02965	8.9
123.04486	3.9
130.04234	1.3
131.05005	2.9
132.02194	1.1
133.02946	17.9
133.85599	1.0
135.00885	1.3
135.04533	16.8
137.02472	1.5
143.05031	2.0
145.02919	1.7
146.03769	4.6
147.04520	12.9
148.01656	2.7
149.02440	7.0
151.04012	21.2
153.01924	2.2
161.02435	8.2
161.06085	1.0
163.03996	13.9
173.02420	1.8
174.03214	2.4
175.04010	23.9
177.01926	100.0
178.02316	2.0
179.03490	37.9
180.03656	1.2
187.04031	5.6
189.05347	0.8
191.03510	5.6
195.02997	1.8
207.02985	11.8
217.05116	1.7
219.02965	37.4
220.03253	1.3
261.04041	2.1
267.66614	1.0
279.05179	3.8
297.06149	50.2
298.06412	2.1
309.20062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0613
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
59.01381	1.3
62.29694	0.9
65.03960	5.0
70.84040	1.7
72.23071	0.9
89.03985	1.7
91.01913	1.3
91.05531	6.9
93.03465	6.6
95.05016	2.2
103.05557	1.6
105.03470	2.3
107.05038	5.4
109.02956	9.0
111.04527	1.0
117.03467	1.3
119.04990	6.8
121.02939	7.1
123.04531	3.9
131.05000	2.8
132.02133	1.0
133.02948	17.8
135.04529	18.1
137.02409	1.6
143.05049	2.1
145.02982	3.2
146.03729	4.6
147.04524	15.5
148.01659	3.9
149.02438	6.8
151.04005	24.1
152.04346	1.3
153.01984	1.4
161.02432	7.9
163.03999	16.7
173.02441	1.9
174.03220	2.0
175.03993	29.7
176.04437	1.2
177.01923	100.0
178.02292	3.9
179.03488	42.2
186.99049	0.9
187.03970	5.7
191.03477	7.8
195.02998	3.1
205.05164	2.2
207.02992	13.5
217.05037	3.0
219.02975	35.6
237.03943	1.3
261.04080	1.6
269.45319	0.9
271.41409	1.0
279.05127	3.4
297.06143	45.9
298.06586	1.7
315.09412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34763	0.2
60.20358	0.2
69.63350	0.3
69.63690	0.7
79.42040	0.2
79.95747	0.6
96.96009	100.0
97.95953	0.3
102.78394	0.2
152.66599	0.2
155.10777	2.3
171.10252	2.8
190.77155	0.2
199.09798	0.4
217.10802	8.8
297.06473	27.8
298.06757	0.9
304.42035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.098
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
55.80386	0.6
59.01384	2.0
66.46030	0.6
71.01382	1.6
71.06952	0.9
73.02942	1.0
85.02953	1.5
88.65617	0.6
88.76535	0.7
95.01385	6.4
96.96020	2.9
97.06599	4.2
101.02431	1.4
110.00126	1.2
111.00935	1.1
123.00885	51.4
124.01661	91.9
125.02039	2.1
135.04521	1.4
137.02438	1.3
142.64682	0.7
146.03766	2.3
147.08159	1.3
149.02443	4.6
149.06076	2.5
150.03203	2.1
151.07607	0.8
159.04482	0.9
159.08176	1.3
161.02426	4.9
161.06079	0.9
162.03197	1.1
163.04001	4.3
163.06154	0.7
165.05515	3.8
168.00589	1.6
173.06049	1.4
174.03215	2.1
175.07654	3.1
177.05539	4.7
178.06360	3.9
179.07114	1.6
185.06134	0.8
189.01915	1.4
190.02667	1.8
192.04271	2.1
193.08682	0.9
195.02995	0.8
201.05531	1.0
203.07169	2.1
214.86253	0.6
218.02171	6.6
219.06624	2.5
221.08124	0.8
225.14842	1.0
235.17134	0.7
236.03258	6.6
247.06099	22.9
247.08617	1.4
253.10687	1.2
265.07147	96.2
266.07504	3.9
269.37094	0.8
279.08643	1.7
297.09772	100.0
298.10083	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	297.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.9
65.16183	2.9
67.60052	3.1
69.11914	5.6
69.12327	16.7
69.32552	3.7
89.60715	3.5
96.96009	100.0
98.22612	6.8
122.17464	3.6
124.01663	5.0
128.04872	3.3
132.19759	3.7
148.66098	3.5
163.37463	3.4
165.09181	4.1
180.56288	3.6
201.08145	3.7
217.10799	5.9
235.09767	6.9
235.71338	4.3
237.07802	3.8
253.10841	12.8
253.14462	4.1
267.06598	4.1
297.06433	30.9
297.09995	23.8
297.13486	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	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
54.53810	0.5
55.01872	1.3
57.03443	2.0
59.01378	100.0
60.19179	0.7
61.39897	0.6
67.40259	0.9
69.03460	0.9
70.29633	1.1
70.29967	1.1
71.01379	48.5
72.99313	2.7
73.02942	16.9
75.00876	3.1
81.03459	1.1
83.01392	4.0
85.02942	12.7
87.00869	4.2
87.04552	0.8
89.02441	48.5
90.02808	0.8
91.05542	1.1
93.03462	1.5
95.01397	2.8
99.00888	2.4
101.02441	30.8
103.04040	1.2
105.01934	21.2
109.02930	0.8
112.98843	0.8
113.02449	19.8
114.05624	0.7
117.01930	6.6
117.05555	0.9
117.28671	0.7
117.97932	0.8
119.03495	20.3
119.04304	1.1
119.04915	0.9
121.02985	0.9
121.03979	0.8
122.33829	0.7
125.02512	1.2
131.03496	1.6
133.02985	2.4
135.03011	0.8
135.04524	1.6
135.06638	20.8
143.03490	3.6
146.03693	0.6
147.04520	1.8
149.04495	0.8
151.04012	2.8
159.03011	2.1
161.02457	1.1
161.04552	11.5
163.03989	0.8
175.04008	2.6
177.01915	10.9
179.03523	3.6
179.05624	13.3
179.07159	1.2
191.03418	1.3
199.00984	0.7
199.06180	1.1
199.11209	1.0
207.03001	1.4
219.02972	3.7
237.09785	6.7
297.06369	3.7
297.08701	2.0
297.11859	47.5
298.12277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1342
Annotation	Pseudoanisatin
Peak:m/z	Relative Intensity
57.27324	0.6
57.31211	0.6
67.06879	0.7
69.76011	0.7
78.01104	12.3
80.76778	0.7
85.51737	0.7
96.99306	0.8
111.00842	0.9
124.98746	1.0
125.99594	9.7
132.25694	0.7
137.99536	1.8
139.00351	5.2
140.01158	1.2
151.14909	1.4
167.14371	2.3
169.15962	1.2
191.14417	20.9
192.14746	1.0
197.15356	1.8
223.13345	2.4
225.14607	0.7
231.85138	0.7
251.12816	4.3
253.14438	100.0
254.14790	4.1
279.12399	1.8
297.13599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.134
Annotation	Pseudoanisatin
Peak:m/z	Relative Intensity
51.82659	0.4
69.51062	1.3
69.51454	1.1
78.01106	16.6
79.01456	0.4
83.29495	0.5
84.02160	0.9
88.65121	0.5
92.66927	0.5
96.99318	1.3
100.31565	0.5
111.00871	1.4
111.53005	0.5
115.35535	0.5
124.98800	1.4
125.99581	12.0
137.99593	1.7
139.00369	7.4
140.01158	3.1
140.98271	0.8
151.14897	1.3
167.14415	4.7
169.15984	2.2
179.14409	1.0
191.14410	28.9
192.14731	1.4
197.15442	1.6
223.13422	2.3
251.12848	7.8
253.14447	100.0
254.14813	3.8
279.12311	3.1
297.13535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88101	0.6
56.67336	0.7
57.03446	10.7
59.01368	1.6
61.98801	0.6
62.51035	0.8
69.03440	2.2
69.93848	1.0
69.94159	1.2
87.21596	0.6
98.03699	0.6
103.58366	0.7
109.25558	0.7
121.96006	0.8
131.03719	1.0
135.04483	0.6
179.14317	0.9
181.16013	2.9
183.01216	8.8
191.14355	0.7
195.17537	0.8
197.02774	1.2
197.19099	100.0
198.19437	3.6
225.18617	7.3
240.08681	0.6
253.18077	34.2
254.18469	2.0
297.15009	17.9
306.73898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
59.01370	7.2
68.99809	6.2
96.96020	5.0
100.29173	4.1
112.01658	5.7
179.18057	7.1
195.17496	10.4
197.19101	100.0
198.19434	6.0
205.15910	5.1
214.89581	6.4
215.96008	8.3
225.18599	61.6
226.18623	4.2
237.11311	25.2
251.16428	5.4
253.18056	86.7
260.87103	4.8
297.04825	5.9
297.17148	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
51.41109	3.5
58.64989	3.0
59.01374	9.7
61.98832	6.9
63.45292	3.3
67.77140	4.0
93.62511	3.3
110.00078	4.5
117.31728	3.5
128.58751	3.3
131.20726	3.6
137.99611	27.5
140.57935	3.8
152.01120	7.2
195.17505	34.0
209.61086	3.6
215.95915	6.4
223.16989	5.7
225.18716	3.8
237.11340	4.6
242.86108	3.8
251.16521	29.6
253.17909	4.1
263.93863	3.8
279.15988	100.0
280.16412	3.8
297.11581	7.2
297.17050	83.9
297.24374	4.8
298.17398	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	297.207
Annotation	secoaggregatalactone A
Peak:m/z	Relative Intensity
57.03436	2.6
59.01367	1.8
62.70170	0.8
62.70487	0.9
69.03425	1.6
69.54551	3.1
71.01379	24.9
72.14429	0.7
72.99305	2.2
78.60732	0.8
80.02658	1.1
83.01419	1.1
84.02172	6.1
87.00896	0.9
94.92466	0.9
97.47415	0.7
112.89262	0.7
121.02954	1.1
124.01662	4.1
134.03755	1.2
181.15880	0.9
183.01199	17.2
195.17526	2.1
197.02672	1.1
197.19095	26.6
198.19366	1.3
214.89665	1.7
215.95988	1.7
220.31383	0.8
223.20662	2.6
225.15039	1.3
225.18585	42.1
226.18961	2.7
230.74162	0.8
236.29544	0.9
239.20135	2.2
250.71460	0.8
251.20135	2.4
253.14401	1.0
253.18063	6.7
261.18552	1.6
265.75015	0.7
279.19522	5.4
292.39722	0.7
297.15451	35.4
297.20670	100.0
298.15631	2.2
298.21024	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	297.2432
Annotation	(-)-cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01377	100.0
61.98805	4.2
71.43819	2.3
72.99309	1.7
84.70399	1.6
96.94817	1.5
119.94671	2.0
120.92426	1.8
135.04530	4.3
155.07291	1.8
157.42932	1.7
171.97104	2.3
175.02620	1.8
183.01201	7.5
215.96051	3.7
216.80232	1.7
253.21706	21.1
297.15430	14.7
297.20792	10.7
297.24283	84.1
298.15594	5.2
298.24652	4.4
300.89313	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	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48591	0.6
59.01368	1.3
67.59321	0.7
71.46579	0.9
113.09715	1.2
127.89748	0.6
169.15984	1.2
172.88564	0.7
183.01167	5.2
183.13898	4.2
185.11812	7.7
186.12282	0.7
197.19235	0.8
199.13333	1.1
214.89777	0.7
215.96005	1.4
225.14967	2.8
253.14505	2.1
253.20670	2.5
279.23273	9.0
295.22824	1.5
297.15530	8.8
297.24326	100.0
298.15768	0.8
298.24704	6.2
318.22736	0.8
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
50.46357	0.8
58.24390	0.9
59.01364	2.2
61.98832	1.0
63.03788	0.8
106.96088	0.7
132.17845	0.8
133.28777	0.9
143.70740	0.8
169.15961	1.9
171.96982	1.1
172.88672	1.0
183.01204	14.7
184.02034	4.2
185.02361	0.9
191.14395	1.5
197.15477	3.3
215.95998	2.3
225.14955	4.2
253.14409	4.9
260.87271	1.0
279.23325	5.4
279.85754	1.1
297.15405	33.7
297.24329	100.0
298.15433	2.3
298.24677	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01374	2.6
61.98828	2.9
72.99294	1.2
82.12182	0.9
138.74242	1.0
141.12819	1.4
155.10782	13.9
171.96831	1.1
174.90025	1.2
183.01205	7.8
188.81651	1.3
215.96053	3.4
225.15039	2.1
253.14334	1.3
279.23294	13.5
279.85608	1.4
297.15399	16.0
297.24316	100.0
298.24698	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	297.2434
Annotation	2-Oxooctadecanoic acid
Peak:m/z	Relative Intensity
59.01387	2.1
61.98825	7.5
63.28268	1.5
66.92464	1.5
68.93447	1.5
69.42599	6.9
91.41177	1.6
116.92849	2.6
119.94747	2.4
121.94386	2.8
175.77083	1.7
183.01208	11.7
188.93327	1.7
191.16458	1.7
251.23772	33.6
252.24184	2.2
297.15295	22.0
297.24329	100.0
298.24625	8.3
301.85526	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	298.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00323	2.6
59.01375	5.8
68.01412	11.6
69.01069	0.6
69.75867	1.8
71.01392	1.5
73.49280	0.5
84.92487	0.5
85.02934	0.7
89.02433	0.8
95.04992	0.9
120.04572	1.6
122.06117	3.9
134.06114	4.4
135.03268	7.5
136.04039	73.9
137.02441	0.8
137.04858	10.0
138.05605	0.9
150.05579	4.9
152.07155	0.7
165.04301	20.8
166.04991	1.1
178.05092	26.4
178.06668	1.3
180.06561	0.6
208.06189	0.6
209.04514	0.7
217.00365	3.2
236.10030	0.6
259.84720	0.6
281.06830	0.6
281.10120	0.7
298.09308	100.0
299.09558	3.5
317.64938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.1
65.03964	0.5
70.35646	0.8
71.01377	5.8
72.99301	0.5
73.02942	1.0
75.00858	0.7
83.01361	0.6
85.02947	1.6
89.02443	1.5
93.03452	61.6
94.03790	1.0
100.54589	0.4
101.02434	1.5
107.01393	0.5
108.02158	0.7
109.02923	0.4
111.00817	0.4
113.02443	1.0
115.00375	2.6
119.05084	0.6
123.03269	0.7
123.04540	0.5
124.01658	3.2
126.35944	0.4
133.01434	4.4
135.04465	0.4
137.02435	100.0
138.02797	2.7
138.05597	5.2
139.03990	2.0
147.03003	1.2
147.04384	0.4
152.01167	0.4
153.01938	0.5
168.00642	3.5
169.01373	0.7
170.77548	0.3
174.99252	2.4
177.01930	1.2
177.04579	0.5
178.02322	0.7
179.02315	0.8
179.03674	0.7
181.04028	0.4
183.02953	9.1
198.29893	0.4
216.98152	0.6
217.00282	8.7
221.03342	0.5
267.60428	0.4
299.04279	0.8
299.07324	3.0
299.11237	1.0
300.10895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87249	0.4
58.09852	0.4
59.01379	10.2
60.43069	0.4
65.03983	0.5
65.04639	0.4
69.42945	1.0
69.43331	0.8
71.01379	5.4
72.99305	0.7
73.02934	0.9
76.59721	0.4
85.02948	1.6
89.02451	4.7
93.03454	66.1
94.03789	1.3
101.02460	3.5
106.57256	0.4
108.02181	1.9
109.02971	0.7
113.02403	2.5
119.03479	1.9
119.05048	2.5
123.03307	2.2
123.04514	1.1
137.02441	100.0
138.02776	2.9
138.05608	19.1
149.02458	0.7
152.01196	1.1
153.01869	0.5
161.04535	0.5
209.02208	0.6
217.00287	1.2
299.05206	0.4
299.07904	3.4
299.11050	0.7
300.10806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
57.03448	1.1
59.01377	97.5
60.01718	1.1
69.58154	4.7
71.01378	34.6
72.99315	2.1
83.01395	2.2
85.02945	7.3
87.00903	1.1
89.02443	33.3
92.02673	1.8
93.03454	37.5
95.01389	3.0
99.00891	4.8
101.02426	16.3
107.01378	3.6
107.05000	1.5
107.29909	1.2
113.02448	17.3
119.03496	11.9
121.03024	1.7
122.02482	3.2
123.00881	1.3
125.02448	12.7
125.37610	1.1
131.03435	1.3
136.01686	6.3
136.05275	2.4
137.02441	100.0
138.02754	2.1
138.05614	61.7
147.03006	2.4
151.04015	9.1
153.01912	1.3
165.04231	1.7
169.01416	20.8
174.99237	5.9
179.02000	2.4
179.03494	34.9
179.05103	2.0
180.03831	1.6
192.54738	1.0
209.04570	4.0
210.38179	1.0
214.12994	1.1
215.05096	1.0
217.00307	18.7
239.05632	13.7
258.02039	1.1
299.04126	15.0
299.07697	71.0
300.07980	2.4
300.10886	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	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
55.85104	0.3
58.34476	0.3
59.01377	3.7
63.49863	0.4
65.03936	0.3
69.68769	0.8
69.69096	0.5
71.01369	2.8
73.02956	0.5
85.02954	1.3
86.88467	0.4
89.02460	1.2
93.03454	62.9
94.03794	0.9
98.21983	0.5
101.02437	1.8
108.02198	0.6
109.02972	0.5
113.02465	0.8
119.03526	0.4
119.05048	0.7
123.03275	1.0
137.02440	100.0
138.02773	2.1
138.05602	10.1
152.00980	0.4
153.01953	0.9
161.04456	0.4
174.99254	0.4
217.00291	1.4
248.12895	0.3
299.07703	2.3
299.11084	0.7
300.10925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
55.78137	0.3
58.58978	0.3
59.01379	4.1
65.19225	0.3
66.82661	0.3
69.59678	1.1
71.01376	1.3
71.43636	0.4
75.00909	0.4
88.02073	0.4
89.02438	1.4
93.03455	45.0
94.03788	1.1
95.05029	0.5
97.06497	0.3
107.05047	0.9
113.02473	0.4
116.05110	0.3
116.07861	0.4
121.02942	2.2
121.29675	0.4
122.06110	2.6
136.01607	0.4
137.02443	100.0
138.02769	2.3
144.04527	0.5
149.02466	1.1
151.04007	8.0
174.99222	1.0
177.08051	0.4
179.03491	6.3
209.04494	0.7
217.00269	3.8
255.16168	0.4
281.10168	0.4
299.11292	1.1
299.15033	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	299.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
70.91819	20.7
71.01352	16.7
93.03464	28.2
114.87095	13.7
117.93173	13.0
133.01436	17.9
137.02425	64.2
138.01936	24.9
139.84352	13.5
183.02975	31.7
201.02531	39.4
210.39702	14.3
217.00313	34.3
231.41812	16.0
279.30414	15.3
285.95233	15.9
299.07947	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	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65304	0.6
55.01877	1.0
59.01380	7.4
69.38336	3.1
71.05000	1.2
79.86268	0.7
83.05007	1.3
85.06591	13.3
91.93714	0.6
96.95975	1.2
97.06572	1.0
98.95584	2.4
125.02398	1.1
125.06059	2.0
136.05284	0.9
137.09738	3.3
139.07620	1.5
165.12752	0.7
167.10776	1.7
167.14412	3.3
174.99239	1.0
175.11301	1.2
193.12312	6.0
209.11847	1.7
211.09828	4.4
211.13387	100.0
212.13736	4.8
213.11411	1.4
217.00343	4.4
219.10219	5.4
237.11333	15.0
255.12375	50.0
256.12598	1.8
299.06281	1.1
299.11365	3.6
299.14658	1.3
310.19131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01884	1.1
57.03443	1.5
59.01379	100.0
71.01381	50.5
71.01724	0.7
72.99314	1.3
73.02930	1.7
81.91985	0.8
83.01379	2.0
85.02950	8.2
87.00874	1.2
89.02444	63.5
93.03450	0.9
94.54003	0.9
95.01379	4.0
101.02444	28.0
107.05024	1.1
113.02450	20.2
119.03507	25.1
119.05003	11.2
125.02357	0.9
131.03503	2.5
137.06070	3.4
138.05606	15.9
143.03465	3.0
147.02902	1.3
149.04559	2.6
151.04005	16.6
161.04529	2.8
165.05544	1.5
174.99287	1.5
176.40627	1.0
179.05583	3.9
180.06665	1.0
197.88327	0.9
209.04501	1.9
217.00282	6.8
239.09198	1.8
299.08081	1.1
299.11340	17.0
299.14789	3.0
300.11020	4.2
308.98776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01111	0.9
59.01377	9.2
59.27380	0.5
59.98503	1.5
70.33051	1.2
71.01381	1.3
80.02690	1.1
81.03480	0.7
83.05037	1.2
89.95887	0.6
99.00890	0.5
116.64197	0.6
124.01611	0.6
144.65639	0.5
151.14920	2.5
165.12892	4.0
167.03488	0.5
167.14407	100.0
168.14711	3.6
172.92493	0.5
174.99232	2.7
179.14345	0.8
199.17032	32.0
200.17368	2.2
211.13362	2.0
217.00267	7.8
223.13391	8.8
227.16467	3.3
239.12872	22.4
240.13208	1.3
243.15929	0.6
255.16017	2.2
260.76443	0.6
267.12390	1.7
299.02634	0.8
299.15042	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	299.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04999	0.8
58.00592	1.0
58.00867	0.8
59.01377	17.2
62.69334	0.9
69.93599	2.7
71.06094	0.9
80.02712	0.9
81.03460	0.9
83.05039	1.7
149.15393	0.9
165.12901	4.9
167.14407	100.0
168.14738	4.4
174.99237	5.2
195.13823	2.1
195.17487	1.4
197.19115	5.6
207.10257	2.6
211.13457	2.5
217.00282	25.8
225.11307	2.2
227.16530	85.1
227.19888	11.6
228.16837	3.3
281.17233	1.1
299.04602	1.4
299.16019	3.3
314.08679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1498
Annotation	Cycloparvifloralone
Peak:m/z	Relative Intensity
51.66919	0.5
57.03465	1.1
59.01377	100.0
60.01717	0.6
69.37420	2.1
73.02940	0.6
96.96014	2.0
102.20178	0.6
124.01604	0.6
136.01646	1.4
163.11217	0.7
167.10844	0.5
167.14406	2.4
170.74861	0.6
174.99159	0.6
183.10205	0.6
183.13902	0.8
193.15996	1.7
207.10248	0.8
209.15405	2.7
211.03619	0.6
211.13380	3.0
211.17047	1.2
217.00317	1.9
225.11314	1.8
237.14987	2.7
239.12866	2.9
255.12349	2.2
255.15994	24.1
256.16370	0.9
263.12802	1.2
281.10507	1.5
281.13980	3.3
299.14987	87.6
300.15372	4.2
301.56198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75681	0.9
57.51145	0.9
58.00586	5.6
59.01365	2.2
107.25288	1.0
108.02209	1.0
146.23653	0.9
148.40668	0.9
167.14404	11.7
195.17505	3.4
197.19119	37.0
198.19391	2.0
209.19086	1.2
217.00243	2.8
225.18513	3.3
227.16879	9.4
227.20161	100.0
228.20424	4.5
241.18120	5.3
270.54092	1.0
274.20810	1.1
281.17346	3.7
297.54816	1.0
299.17786	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	299.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.6
64.60776	0.5
69.27621	2.9
98.21828	1.2
100.51118	0.6
116.28407	0.6
146.49026	0.6
174.99167	2.9
185.00645	0.7
191.14424	0.8
217.00293	9.7
237.22209	60.6
238.22626	3.4
255.23257	1.6
279.42670	0.6
281.21207	29.5
282.21555	1.6
299.15186	2.0
299.22247	100.0
300.22574	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	299.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.6
64.60776	0.5
69.27621	2.9
98.21828	1.2
100.51118	0.6
116.28407	0.6
146.49026	0.6
174.99167	2.9
185.00645	0.7
191.14424	0.8
217.00293	9.7
237.22209	60.6
238.22626	3.4
255.23257	1.6
279.42670	0.6
281.21207	29.5
282.21555	1.6
299.15186	2.0
299.22247	100.0
300.22574	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	299.259
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
53.25228	0.9
59.01379	100.0
59.17476	1.0
69.50275	3.7
86.78879	1.0
92.36553	1.2
99.92596	1.3
100.84164	1.2
141.92392	6.7
146.73373	1.4
160.84221	1.2
221.25188	1.1
299.25897	65.8
300.26266	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41493	0.3
56.34046	0.3
57.98300	0.3
59.01377	3.2
68.01421	2.4
69.82607	0.6
70.16911	0.3
71.01381	0.8
85.02936	0.4
89.02438	0.5
96.04568	0.4
96.08149	0.3
119.74619	0.3
122.02471	0.6
123.03264	5.0
124.04047	0.3
124.07667	1.0
136.07616	0.4
137.04860	0.5
137.30547	0.3
138.05611	100.0
139.05971	2.2
152.07137	1.5
153.09229	0.4
155.07161	0.4
166.08731	0.6
167.05891	2.2
168.06694	0.9
180.06664	4.6
202.16417	0.3
232.80963	0.3
234.22076	0.3
240.08650	0.3
250.19086	0.3
300.10898	17.0
301.11237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73759	0.2
59.01377	88.3
60.01697	0.7
61.98840	0.2
68.05524	0.2
73.01476	0.3
74.99377	0.3
82.95424	0.2
90.04246	0.2
114.76302	0.1
114.92073	0.2
115.02512	10.3
116.02628	0.3
117.00439	9.8
117.95502	1.0
118.00529	0.3
123.00927	0.2
141.00444	0.5
156.90273	0.2
156.93094	0.7
156.99959	0.5
157.03551	2.8
159.01491	100.0
159.96552	2.8
160.01624	5.1
183.01468	0.2
198.99449	0.2
201.02544	24.0
202.02704	1.5
203.02420	0.3
217.00545	1.3
241.00539	0.3
257.03632	0.4
259.01599	3.1
260.01697	0.2
269.96518	0.2
283.01443	0.3
301.02643	55.1
301.21747	0.3
302.02823	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	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
59.01384	1.2
63.02396	7.4
64.70383	0.4
65.00322	13.9
69.35191	2.2
72.99354	0.6
73.02936	0.5
76.39281	0.4
83.01383	8.8
93.03444	4.4
95.01384	0.9
107.01389	22.3
108.02190	0.8
109.02937	2.3
118.15350	0.5
121.02953	17.1
123.00868	0.5
124.01733	0.6
125.02442	0.8
135.01071	0.5
136.07697	0.9
139.04028	2.0
145.02919	0.5
149.02435	3.1
151.00368	62.1
152.00735	1.5
159.04459	0.9
161.02432	1.2
163.00343	1.3
163.03970	1.1
164.01086	1.2
165.01924	0.6
169.01401	2.7
173.06110	0.6
175.04068	0.8
178.99857	22.6
180.00107	0.6
183.04480	0.6
187.04042	0.9
193.01440	1.1
197.58228	0.4
201.01897	0.5
201.05577	1.4
211.04002	0.8
211.13400	0.9
227.03465	0.6
229.01378	1.0
229.05014	1.7
231.03047	0.6
243.03026	0.5
245.04433	1.6
255.02946	1.1
256.03745	0.6
257.01013	0.6
257.04459	0.6
257.12921	2.5
273.04028	4.0
283.99692	0.5
299.01907	0.6
299.98914	0.8
300.99939	13.6
301.03467	100.0
301.20291	1.4
302.00558	0.7
302.03851	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	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
50.75660	0.4
59.01372	1.9
64.93938	0.4
69.03431	2.4
71.01384	1.9
72.75286	0.5
72.75725	0.4
72.99303	0.6
73.02934	0.8
79.01885	1.0
81.03447	1.3
83.01383	2.5
85.02949	1.0
87.00867	1.0
89.02419	0.6
95.01391	2.0
97.02940	2.3
99.00882	0.8
101.02367	0.6
107.01390	1.9
109.02952	8.4
113.02446	1.2
115.00462	0.5
121.02956	1.3
122.03739	0.4
123.00880	29.5
124.01662	13.8
125.02443	47.6
126.02758	1.3
126.83773	0.5
128.03491	0.5
137.02435	1.2
138.03232	17.2
139.04031	5.8
141.01930	1.9
149.02405	0.9
149.99576	22.6
150.03177	1.2
151.00368	4.6
151.03983	0.9
153.01927	17.1
161.04501	1.4
165.04091	1.4
165.05553	2.2
166.02698	0.8
168.00633	56.3
169.01418	8.0
181.05067	2.2
193.05025	0.6
199.06085	1.1
239.09273	1.7
265.09247	0.7
283.04587	5.9
301.05658	100.0
301.09146	6.8
302.06021	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	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
58.54696	0.5
64.13937	0.5
69.03442	1.8
70.35860	1.6
76.98638	0.6
79.01899	0.8
81.03444	0.9
83.01378	1.1
84.25689	0.6
93.03466	0.7
95.01418	1.0
95.94736	0.5
97.02953	2.2
107.01385	2.1
114.70850	0.7
123.00883	3.8
124.01659	15.3
125.02444	54.2
126.02806	1.0
139.04028	4.9
139.05898	0.9
144.18764	0.6
149.99583	25.5
151.00381	3.1
153.95668	0.5
166.94748	0.6
168.00636	67.2
169.01396	7.9
211.02612	0.7
214.43233	0.6
267.06393	0.6
269.26584	0.6
283.04596	6.1
301.05637	100.0
302.05966	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	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
57.03445	5.3
59.01381	5.1
59.73502	0.7
65.00319	2.4
65.03964	1.1
65.81315	0.7
69.03461	1.8
70.56532	0.7
71.01386	3.7
72.99298	1.6
73.02934	1.1
79.01917	0.8
80.31390	0.7
81.03448	3.6
83.01388	13.1
85.02940	1.4
87.00890	1.2
89.02456	1.4
93.03449	1.1
95.01395	2.9
96.96082	0.7
97.02924	2.0
99.00881	0.8
99.04539	1.0
101.02438	1.5
107.01392	8.8
109.02945	26.4
113.02449	2.1
121.02945	3.6
123.00889	36.5
124.01689	7.2
125.02444	49.6
126.02792	0.9
137.02393	2.3
138.03220	27.3
139.04013	19.3
141.01927	4.7
149.02449	1.7
151.00366	53.3
151.04077	1.3
152.00729	1.5
153.01930	39.5
154.02245	1.0
161.02515	0.8
161.04581	1.7
162.55939	0.7
163.00349	1.0
164.27550	0.7
165.02025	0.9
165.04088	2.5
167.03444	1.5
167.07071	1.1
168.00589	5.8
169.01419	28.6
175.00417	3.3
177.05588	1.3
181.05087	2.5
193.01419	2.3
193.05058	0.9
205.01416	1.1
205.05109	1.8
209.63336	1.0
211.02481	3.7
223.02444	0.9
239.09262	5.2
241.03635	2.0
241.07195	1.0
283.04611	1.8
283.08127	0.9
301.05698	100.0
301.09274	16.8
301.21649	1.2
302.05954	5.0
302.09067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
53.43562	0.7
57.16748	0.7
58.88910	0.9
59.01369	3.5
60.99301	1.1
65.00311	0.9
69.32847	3.7
71.04996	0.8
72.00899	1.0
72.99303	10.3
73.02937	3.4
74.02462	0.8
79.51575	0.6
81.41995	0.7
83.01407	0.7
88.32934	0.7
92.05036	2.0
93.29832	0.7
100.04011	0.7
107.01400	1.5
108.02185	0.7
116.05048	7.2
121.02923	2.2
123.00854	0.7
125.02453	1.0
140.07111	0.8
151.00327	2.9
162.05537	1.2
166.02719	3.7
172.09708	1.4
181.06587	1.0
183.09267	1.1
185.10817	1.4
191.03365	1.0
193.06567	6.4
195.04509	15.0
197.11821	2.4
209.06046	8.7
209.11742	4.8
210.06421	0.7
211.07640	2.0
213.05579	1.9
221.06052	37.4
222.06352	1.7
225.05479	1.8
226.06421	0.7
227.07126	5.5
227.12950	1.6
229.09753	3.5
237.05484	5.6
239.07123	51.3
240.07428	2.7
243.03032	1.2
255.06607	35.8
256.06888	1.7
257.08221	2.1
257.12930	1.2
257.16592	2.1
265.05017	19.9
266.05325	1.2
271.02408	2.0
283.06113	49.4
283.99490	0.8
284.06372	3.1
301.00427	10.0
301.03571	7.2
301.07129	100.0
301.15814	7.4
302.00397	1.0
302.07455	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	7-O-Methylaromadendrin
Peak:m/z	Relative Intensity
54.64467	0.3
57.67683	0.3
59.01374	0.5
61.13218	0.3
61.98820	0.7
63.26643	0.3
65.00321	6.0
69.75367	1.0
89.00327	1.7
91.01900	1.2
97.02950	4.1
102.06751	0.3
103.59432	0.3
107.04985	0.5
108.02130	0.4
109.02940	3.2
121.02967	2.1
123.00851	0.4
134.03773	1.7
135.04520	100.0
136.04846	3.5
139.04030	0.4
149.99632	1.9
161.02460	1.1
164.01228	0.6
165.01921	35.4
166.02321	0.9
176.44724	0.3
179.03421	0.4
183.02948	0.8
217.00275	0.4
219.97766	0.4
283.06366	0.4
301.00244	1.6
301.07172	23.7
301.21616	0.6
302.07520	1.2
316.72934	0.3
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
55.00701	0.2
55.01880	0.4
57.03434	0.2
59.01382	1.6
70.76118	0.3
71.01378	4.4
72.77943	0.2
73.02942	1.6
83.01398	0.5
85.02943	2.1
89.02449	0.5
90.01109	0.2
93.03465	0.4
95.01384	5.3
98.21989	0.2
99.00878	0.7
101.02438	2.8
108.02167	0.9
109.02948	0.5
113.02460	2.7
115.34683	0.2
118.69070	0.2
121.02965	2.6
122.03774	0.4
123.00886	100.0
124.01741	6.2
125.02480	1.5
136.01721	0.6
137.02440	3.0
138.03227	64.2
139.04025	15.5
140.04364	0.5
149.02429	1.8
150.03186	0.8
151.00369	0.9
151.04016	1.9
159.01515	0.6
159.02975	0.7
161.04564	4.4
163.03987	0.9
166.02713	2.1
169.01459	0.7
174.97440	0.2
178.02686	1.5
179.03392	0.3
181.03571	0.5
181.05063	5.9
182.05353	0.3
193.05093	2.7
202.14944	0.3
301.02722	0.4
301.05658	1.3
301.09241	4.2
314.10284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
64.11993	6.6
69.31349	35.8
71.01365	21.4
72.99310	11.6
73.02935	22.3
79.34717	7.0
83.01405	6.3
85.02932	12.5
87.00894	11.8
101.02436	12.0
113.02415	8.6
123.00819	8.9
128.62872	6.8
139.03986	8.3
142.47345	6.8
145.87837	6.3
153.09198	89.4
195.13731	8.4
197.08148	20.7
197.11827	56.0
215.09242	75.6
216.09137	6.7
257.10400	21.4
300.99847	24.3
301.03409	27.0
301.12875	34.7
301.16202	13.7
301.21729	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0928
Annotation	Isotachioside
Peak:m/z	Relative Intensity
51.74650	0.4
57.03454	0.4
59.01367	0.8
69.64473	1.5
71.01374	3.8
73.02943	1.6
77.72101	0.4
80.21301	0.3
83.01380	1.1
85.02960	1.5
85.69803	0.4
93.03465	0.4
95.01390	5.0
96.73029	0.4
97.02946	0.6
99.00858	0.6
100.36227	0.3
101.02423	3.2
108.02152	0.8
109.02921	0.8
113.02446	3.2
119.83663	0.4
121.02972	3.6
122.03711	0.6
123.00885	100.0
124.01767	5.6
125.02434	4.0
135.04463	0.4
136.01677	0.5
137.02438	4.2
138.03226	70.7
139.04041	14.9
140.04338	0.6
146.51350	0.4
149.02481	2.5
150.03247	0.7
151.00380	2.7
151.04012	1.7
159.03004	0.5
161.02464	0.9
161.04538	4.7
163.03975	1.0
166.02702	2.4
169.01422	1.9
178.02707	1.6
179.03387	0.6
181.05058	8.4
182.05377	0.4
191.16333	0.3
193.05078	2.4
263.86493	0.4
301.05618	7.0
301.09280	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	301.0929
Annotation	Tachioside
Peak:m/z	Relative Intensity
53.80005	0.6
57.03439	3.2
59.01374	1.7
61.97603	0.6
67.14126	0.7
68.99799	1.0
69.03441	0.9
69.59638	2.3
69.59980	0.6
72.99306	56.5
87.00871	1.8
87.97388	0.7
97.06596	10.1
99.00915	1.0
112.01666	1.4
123.00892	1.5
123.08149	4.7
124.01653	1.7
125.09727	42.1
126.10034	1.1
141.12820	1.7
151.11302	1.5
153.09233	0.9
159.23103	0.7
167.10820	0.8
169.08667	1.1
170.58316	0.8
171.10245	0.9
173.57457	0.7
177.09222	2.4
180.01711	0.7
183.10223	0.9
185.11826	28.9
194.29854	0.7
195.10275	10.0
209.08186	6.5
213.11304	12.3
221.08197	4.1
227.09258	24.6
239.09245	29.3
240.09785	1.0
257.10312	1.2
283.08173	4.4
301.09293	100.0
302.09598	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	301.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.08796	0.6
59.01379	54.9
66.88579	0.7
70.50474	0.8
73.02944	100.0
74.03299	1.2
78.73769	0.6
79.67194	0.6
84.62065	0.6
98.08611	0.6
98.95637	0.6
101.95605	0.7
120.01505	0.6
123.08155	3.9
167.07146	3.7
185.08234	0.8
197.11818	75.8
198.12163	3.1
213.98703	0.6
241.10822	11.5
259.11844	1.2
275.43427	0.7
301.12885	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	301.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
56.79541	1.5
57.03453	8.2
59.01381	39.4
71.05032	1.9
72.99301	3.0
73.02947	75.9
83.05027	3.0
93.03492	1.5
95.01393	1.8
97.06561	2.1
99.04511	2.3
106.04233	1.8
109.06606	1.6
113.02482	1.3
119.05006	2.2
123.00902	18.9
123.08132	4.7
125.09698	3.4
125.67208	1.3
132.47180	1.3
135.08173	5.1
137.02438	1.8
137.06085	1.9
141.86438	1.4
161.04822	13.7
163.07547	2.2
167.07092	4.2
169.12370	4.2
179.10785	20.6
180.10916	1.4
181.12352	3.5
185.11865	2.3
197.11826	78.1
198.12149	5.5
207.10220	6.0
213.14034	1.4
224.10522	4.4
225.11319	100.0
226.11665	5.0
227.09303	1.9
239.12822	3.5
241.10933	9.8
244.02107	1.3
257.13968	8.4
271.10913	2.4
283.10822	8.3
301.03574	3.3
301.09219	4.5
301.12793	12.2
301.21634	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	301.1292
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
58.00598	1.3
59.01373	17.3
61.88313	1.1
69.03441	1.8
69.40776	4.6
72.99310	23.4
73.02942	4.3
74.83128	1.2
75.00882	1.0
76.94549	1.1
83.05036	3.0
83.33901	1.1
84.02197	1.2
85.02943	1.8
86.29790	1.0
87.00874	18.7
95.01370	1.6
95.05031	1.9
97.02928	1.4
97.06563	1.8
99.04520	1.4
102.20017	1.3
109.06584	1.4
111.04507	1.4
111.08167	5.9
112.90068	1.0
113.02444	12.2
123.00883	3.1
124.01672	4.8
125.02431	2.6
127.03957	1.2
133.05302	2.0
138.03180	1.9
149.09650	1.1
155.07140	3.6
155.38254	1.4
161.04822	15.2
170.58971	1.3
173.08241	3.2
177.12848	1.6
187.09634	2.4
193.12332	1.4
195.13962	4.4
214.02541	1.2
221.11810	21.7
223.09737	26.5
224.10194	1.6
225.11450	1.5
239.12883	15.2
240.13153	1.5
241.10799	18.5
257.04550	1.9
257.13794	3.8
265.10831	8.0
269.13852	1.3
271.11069	1.5
283.11856	41.7
284.12061	2.1
301.00009	6.3
301.09662	3.8
301.12930	100.0
301.16400	7.1
301.45221	1.4
302.13263	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1293
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
55.01871	1.6
57.03449	1.4
58.00588	0.7
59.01380	10.6
69.03454	0.6
69.14643	2.8
70.21540	0.4
71.01386	4.8
72.99327	0.9
73.02944	9.2
75.00872	8.0
83.05015	0.8
85.02935	1.0
87.00853	1.0
89.02441	0.6
95.04974	0.6
97.02930	0.7
97.06590	2.2
99.00874	2.0
101.02448	5.1
109.01675	0.9
110.02491	1.5
111.04517	0.7
112.01631	1.2
113.02444	1.7
116.05039	0.5
117.01951	1.2
123.00909	0.5
123.04509	0.5
123.08157	2.2
125.09721	13.3
127.11310	1.5
131.03513	0.5
136.05367	0.5
137.09723	1.4
138.03247	2.5
139.04019	0.5
147.08176	0.5
153.09200	1.6
155.10799	1.1
165.09203	1.6
169.12318	0.8
171.10257	1.7
172.87425	0.5
177.12746	0.6
179.10843	0.6
181.08760	1.4
181.12376	0.7
183.10277	1.5
185.11916	0.6
187.09760	2.0
193.12274	0.9
195.13846	0.6
197.11894	4.0
199.09738	2.3
201.01872	0.6
201.11320	30.8
202.11650	0.6
203.10799	2.2
209.08180	7.8
211.09830	0.5
211.13293	1.1
213.11301	2.5
215.12920	1.3
221.11824	2.7
223.09811	2.0
223.13274	0.6
225.11299	3.0
227.09242	16.4
228.09531	1.0
229.01379	1.1
237.11279	1.0
239.09334	0.7
239.12837	1.2
241.10745	3.3
241.14470	1.1
243.12454	1.1
247.09653	0.8
257.10245	1.7
259.11871	0.5
265.10800	15.5
266.11179	0.5
269.13882	4.9
283.07166	0.7
283.11865	1.0
283.99503	0.9
299.98996	0.6
300.99957	13.2
301.12924	100.0
302.00092	1.1
302.13287	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	301.1444
Annotation	Enterodiol
Peak:m/z	Relative Intensity
61.68048	0.6
61.98827	3.6
66.56586	0.6
66.98289	0.5
68.35127	0.7
69.21694	3.3
75.10516	0.6
92.92789	1.9
95.05015	3.0
97.06554	0.7
98.22609	1.4
117.07086	1.4
122.03635	0.9
123.00890	1.0
144.05800	0.7
147.04446	0.7
159.08153	1.1
161.06081	4.9
161.09663	0.8
162.85712	0.6
173.02446	1.0
173.06073	2.8
174.99252	0.9
175.07616	2.7
185.02449	0.9
187.07645	1.7
191.14410	1.5
197.81421	0.7
199.03891	1.2
202.09822	0.7
203.07089	6.0
205.05016	4.0
219.97684	0.9
227.07037	1.1
257.15350	3.3
260.10358	0.8
271.09769	2.1
292.09430	1.0
300.99921	2.1
301.14435	100.0
301.21567	2.5
302.14728	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.96717	0.3
60.97498	0.3
67.87431	0.2
69.68162	0.4
69.68488	0.3
74.99082	0.6
118.96268	0.8
129.86501	0.2
134.99413	5.2
136.97328	1.6
141.07568	0.3
143.05370	1.5
159.08505	1.2
161.06400	5.1
201.04129	0.3
203.05663	2.8
205.03581	1.1
215.05656	1.1
217.07207	80.3
218.07347	5.0
283.11844	0.4
285.13477	33.5
286.13623	3.2
301.16595	100.0
302.16772	8.3
303.14319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2172
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
50.96342	2.8
57.87705	3.2
58.23809	3.2
59.01373	15.8
61.98817	11.3
66.10313	2.8
69.26660	18.1
92.92779	6.8
95.85271	3.7
130.94373	3.0
179.21556	3.2
201.29387	3.6
203.18001	7.6
257.22739	27.6
300.99878	8.4
301.21710	100.0
302.21988	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	303.0509
Annotation	Taxifolin
Peak:m/z	Relative Intensity
53.17490	0.6
55.08279	0.7
57.03445	16.2
57.04181	0.7
59.01370	2.5
63.02388	0.7
65.00327	3.6
65.03946	0.7
67.63957	0.6
67.87376	0.6
69.51719	0.6
69.58067	3.1
72.99302	0.7
73.02956	1.7
81.03439	1.3
83.01382	8.5
84.19837	0.6
93.03478	1.1
95.01405	0.8
98.02413	0.6
98.22588	0.8
107.01399	2.9
108.02196	1.1
109.02946	4.7
109.21885	0.6
111.00856	0.8
116.74675	0.6
121.02953	1.8
122.03762	1.6
122.22310	0.7
123.04508	7.8
124.01672	2.4
125.02438	100.0
126.02784	2.1
137.02467	5.1
139.03984	1.7
143.05038	0.7
147.04517	1.5
149.02429	6.0
150.03220	6.6
151.00380	9.0
151.04015	10.1
152.01164	5.7
153.01930	8.7
153.58578	0.6
161.02393	1.1
161.05995	0.9
165.01941	1.5
165.05518	1.3
167.03552	0.8
169.01285	0.7
171.04512	0.8
173.02376	0.6
173.06107	1.3
174.03178	3.7
175.03996	15.3
177.01923	20.3
178.02263	1.1
178.99843	9.6
180.00659	1.2
181.01419	2.5
185.06030	0.8
187.04041	0.7
188.04814	2.1
189.05551	6.2
193.05093	2.8
197.06067	1.1
198.03198	0.8
198.71211	0.6
199.04013	9.4
199.13393	2.1
201.01970	3.4
211.03992	0.7
213.05580	1.5
215.03459	1.1
216.04216	1.0
217.05026	10.8
227.12866	2.1
231.06621	2.0
235.05991	0.8
241.05026	6.9
243.02916	1.4
243.12280	0.8
257.04611	1.3
259.06113	6.6
262.13913	0.7
271.11728	1.0
275.05594	7.8
285.04031	69.2
286.04337	2.7
303.05054	11.2
303.14316	3.3
303.23300	3.8
304.05539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77754	1.0
57.03432	1.1
58.00577	1.2
59.01377	100.0
68.99785	1.8
69.03445	1.1
69.18762	5.4
71.01382	19.8
72.99308	33.7
73.02938	2.1
73.17195	1.0
75.00869	17.2
79.05524	3.0
80.02656	1.4
83.01395	1.2
83.05040	1.2
84.02194	1.5
85.02941	1.7
87.00877	1.4
89.02442	38.3
95.05026	2.8
97.02929	1.5
97.06580	15.9
99.00876	14.5
102.68127	1.0
102.81471	1.0
103.65038	1.1
105.07077	1.7
106.04273	1.4
107.05009	4.2
108.02188	1.7
109.06606	5.1
110.03641	1.6
111.08158	9.9
112.98818	8.4
115.00395	2.2
117.01942	25.6
117.02783	1.2
120.05748	3.0
121.06596	11.1
123.04516	2.8
123.08131	4.1
124.01644	4.7
124.98805	3.3
125.00265	1.2
125.02412	4.4
125.06068	8.4
125.09731	1.2
131.04990	1.4
134.03784	1.6
135.02991	10.8
135.04518	2.8
135.08150	2.3
137.02432	5.0
137.06064	3.6
139.07640	11.7
139.11278	3.6
140.98285	1.4
142.99860	61.8
149.06065	14.4
151.07590	1.5
153.05566	15.8
153.12865	1.4
155.07146	1.4
155.10811	2.2
163.07639	1.4
165.01926	1.2
166.06335	2.5
167.05765	2.0
167.07121	24.4
173.00888	15.3
174.01717	15.1
177.01767	1.3
179.07167	1.2
181.08714	12.5
181.12280	2.8
183.06569	3.2
183.10239	3.6
193.05072	4.9
199.13390	38.6
200.13702	1.3
201.11415	5.2
210.05302	1.1
211.06007	2.9
213.07648	3.1
225.05556	2.2
225.07683	24.2
225.11296	2.4
226.08061	1.2
243.12383	14.4
261.13428	6.6
285.04205	1.6
285.38077	1.0
303.04916	1.4
303.14398	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	303.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09130	6.8
59.01377	28.7
64.69353	7.8
65.17236	7.4
69.26641	42.4
100.24344	8.2
104.46322	7.0
120.71356	7.5
142.99869	11.8
144.53207	7.7
155.10786	100.0
171.10295	12.3
197.92430	7.5
199.09801	38.1
203.84749	8.2
217.10750	76.3
218.11554	8.5
257.67081	9.2
259.11844	14.8
303.03995	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	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90606	2.7
59.01378	86.8
65.00289	3.6
69.03437	3.9
71.01382	27.4
72.99309	88.4
73.02965	2.9
75.00874	24.3
75.97044	2.5
79.05502	3.9
80.02641	4.8
80.30226	2.6
83.01391	3.8
83.05014	5.0
87.00858	5.8
89.02449	45.1
95.01395	3.5
95.05005	4.2
96.11127	3.0
97.02901	4.3
97.06585	40.1
99.00879	40.1
107.01393	4.3
107.05011	4.9
108.02157	4.8
109.06615	14.5
110.03738	3.8
111.00893	4.1
111.08169	23.9
112.98808	93.8
115.00352	5.0
117.01952	33.0
121.06595	8.1
123.04518	3.7
123.08139	9.1
124.01628	9.0
124.98765	6.2
125.02429	10.7
125.06087	18.0
135.02998	31.5
135.04535	11.3
137.02448	7.3
139.07664	30.7
142.99869	88.2
149.06065	15.0
150.06505	3.0
151.00378	16.0
151.03986	23.4
153.05580	35.4
155.10747	4.8
165.05617	4.7
167.07141	56.3
171.06610	4.3
173.00922	23.6
174.01700	100.0
175.02338	4.0
177.01917	3.7
183.06613	3.9
193.05048	17.0
195.57152	3.3
199.13368	6.2
211.06129	11.5
213.07666	6.0
227.07016	3.1
243.16039	7.2
295.29825	3.4
303.05032	9.9
303.08765	3.8
303.14349	6.3
303.18054	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	303.1351
Annotation	NSC 177499
Peak:m/z	Relative Intensity
57.03431	2.3
59.01377	30.3
71.05009	1.7
71.45946	0.8
72.99296	4.4
73.02922	1.1
81.03445	1.2
83.05035	4.8
85.06581	1.2
87.00871	3.4
95.05013	3.6
97.06566	2.6
99.00890	0.8
99.04501	1.0
103.41772	0.9
107.05070	1.0
109.02927	0.8
109.06548	1.2
110.02521	1.1
110.06117	6.8
111.08164	1.5
117.87212	0.8
121.05344	2.2
122.06114	18.8
123.08168	1.5
125.02439	6.9
125.06127	1.0
129.05591	1.9
135.06906	11.7
136.04066	1.3
137.02383	1.4
138.05602	1.7
141.05516	1.0
141.09187	1.5
144.04567	1.5
145.05339	3.0
148.03999	0.9
149.04840	4.0
150.05612	1.5
150.84480	0.8
151.03990	2.4
151.11275	1.0
159.06554	4.8
162.05612	4.2
163.06381	49.0
163.11327	1.8
164.07158	4.0
166.05074	3.8
167.05829	1.0
177.01938	3.2
177.04222	3.9
179.10852	0.9
181.12442	1.5
193.01360	1.3
194.04597	2.5
195.05373	12.7
197.11865	1.1
216.10300	1.0
223.13351	1.5
229.06122	1.0
231.07739	1.2
241.14426	3.5
243.12360	8.2
251.16103	0.9
255.11191	1.8
259.11383	2.6
259.15530	2.0
267.11407	2.8
273.12418	28.9
274.12888	1.0
285.12421	100.0
286.12817	5.2
303.05063	2.4
303.10431	5.3
303.14392	64.8
304.04968	1.0
304.14761	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.5
58.00574	0.8
59.01377	13.3
65.00317	0.7
66.70288	0.5
68.17180	0.5
70.80092	0.6
71.01382	4.8
71.05027	1.2
73.02946	5.2
79.35375	0.5
81.03455	1.6
83.01388	1.9
83.05025	3.8
83.65675	0.5
85.02945	0.7
85.06592	1.5
89.51929	0.6
93.00098	0.5
95.05026	1.6
99.04510	1.1
101.06082	1.7
107.01435	0.8
107.08658	2.0
109.02936	1.9
109.06609	1.5
111.00881	0.6
111.04510	2.6
111.08160	2.1
113.06087	1.2
115.04015	13.4
115.07699	0.6
121.02970	0.5
123.04530	2.5
123.08154	1.6
125.02443	30.3
125.09711	1.8
126.02790	0.8
127.07635	4.0
129.05589	3.4
133.10301	0.5
137.02435	1.7
139.04008	0.8
139.07626	1.2
141.09229	1.1
145.05046	4.9
147.04486	1.0
149.02443	1.5
150.03238	1.3
151.00342	3.2
151.04002	3.6
152.01138	2.0
153.01932	2.3
155.07150	1.7
157.08667	1.6
161.06013	0.6
161.13400	1.7
165.01926	0.6
167.03421	0.7
169.08658	1.6
174.03146	0.8
175.03999	5.5
177.01907	6.1
178.99849	2.0
179.14514	0.8
181.01387	0.6
188.04797	0.6
189.05550	0.9
193.04993	0.7
197.11963	0.6
199.04028	2.8
201.01944	1.0
205.12294	1.5
215.09230	0.7
217.05063	2.8
223.13425	3.8
241.05103	1.5
241.14429	3.4
259.06146	2.1
259.15445	1.0
267.12357	1.8
269.05527	0.5
275.05673	2.2
285.04037	18.7
285.13416	16.3
286.04352	1.4
286.13782	0.9
290.20444	0.5
303.05258	4.3
303.14481	100.0
304.14886	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	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.1
58.00599	3.5
59.01379	17.8
69.03453	1.4
69.33974	4.1
71.01385	0.8
73.02943	6.6
81.03475	3.3
83.01406	1.7
83.05016	3.0
84.00842	0.7
84.02169	12.1
85.02949	16.7
92.28000	0.7
93.03471	0.9
95.05003	0.9
97.06570	1.2
97.26262	0.9
98.22693	1.4
99.04515	2.5
102.31789	0.9
107.01379	1.0
109.02968	1.4
109.06592	26.2
121.02944	1.9
121.06597	1.5
123.00967	0.8
123.04480	1.2
123.08152	1.8
125.02446	23.5
125.03303	1.6
125.06080	2.4
125.09721	4.3
126.03313	1.4
127.11314	2.7
135.08170	2.5
137.02441	4.0
137.09750	4.0
141.09233	8.7
149.02470	1.6
150.03238	1.4
151.00395	2.1
151.03984	2.7
152.01146	1.6
153.01956	1.6
153.09218	3.0
155.10811	3.9
155.82172	0.8
156.86218	0.8
161.09764	1.5
163.11298	11.4
167.03442	1.2
170.39088	0.8
171.10257	14.7
175.03987	3.2
177.01935	4.3
178.99861	1.5
179.10794	2.7
179.14412	1.3
181.08719	2.2
189.05534	1.1
189.09114	0.8
199.04019	2.3
199.09760	49.6
200.10136	1.0
207.10257	30.5
208.10617	2.3
217.05055	2.3
223.13403	12.1
224.13872	1.2
225.11273	5.8
241.05107	1.3
241.14433	12.7
242.14870	0.9
243.12373	2.0
259.06143	1.5
259.15454	1.2
267.12363	4.5
285.04037	12.1
285.13354	6.5
303.05124	4.2
303.14496	100.0
303.23169	6.7
304.14789	4.2
323.24014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06971	0.7
59.01377	100.0
69.35645	0.8
69.35945	3.6
71.01382	12.1
72.99300	1.4
73.02946	16.7
75.00876	0.7
83.01375	3.9
85.02956	3.0
87.00890	1.3
89.02457	7.4
101.02436	10.1
107.69260	0.7
113.02454	6.2
119.03524	1.6
125.02441	1.0
131.03464	0.8
143.03442	0.9
147.35568	0.7
153.12843	4.3
155.10727	0.9
156.64619	0.7
161.04584	1.2
199.13385	15.5
243.12488	0.8
243.16174	0.8
245.59824	0.7
270.60587	0.7
303.05197	1.3
303.14536	2.2
303.18097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.16
Annotation	1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxy-3-methoxybenzoate
Peak:m/z	Relative Intensity
59.01358	0.4
61.98829	0.6
69.21686	0.3
69.52044	1.4
69.52374	0.3
78.45547	0.3
79.93450	0.3
81.07095	0.6
97.06585	0.8
108.02142	0.6
119.05031	0.5
119.08655	0.8
121.02995	0.4
122.03728	0.5
131.05064	0.3
133.06584	0.5
135.04546	0.4
142.18211	0.3
143.05046	0.5
161.06064	5.9
161.09689	1.2
162.06767	0.5
175.07666	1.4
177.09189	0.9
177.12679	0.3
187.03983	1.0
189.09210	1.0
191.10759	1.2
201.05609	1.7
203.10803	1.1
204.11494	0.9
205.05084	3.4
205.08728	1.1
217.08690	0.3
218.86726	0.6
241.15944	0.5
259.17010	4.9
285.14957	0.5
292.09586	0.7
303.16000	100.0
304.16327	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	303.1965
Annotation	Flavoglaucin
Peak:m/z	Relative Intensity
54.13546	0.2
54.80452	0.2
63.08167	0.2
65.03968	0.3
65.25255	0.2
71.12652	0.2
73.68841	0.2
96.10298	0.2
97.02151	0.2
102.05912	0.2
108.02175	34.6
109.03001	3.7
121.02949	2.0
122.03727	1.9
135.04530	1.3
136.01666	2.3
137.02422	0.7
138.03273	0.3
149.02440	0.7
149.06078	0.3
150.03242	1.5
163.03973	0.6
177.05559	0.4
177.09235	0.4
191.10803	0.2
210.93808	0.2
275.20151	49.5
276.20471	3.6
303.19644	100.0
304.20038	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	303.1964
Annotation	Caribenol B
Peak:m/z	Relative Intensity
55.01880	0.2
57.03441	0.2
59.84148	0.2
60.81035	0.2
65.03963	2.3
65.76601	0.2
69.90330	0.5
80.02750	0.2
81.03446	0.7
93.03465	0.2
95.01404	0.4
106.04257	0.9
107.05038	1.4
108.02160	5.7
109.02959	3.4
112.97092	0.2
119.05031	1.3
121.02949	0.6
122.03741	1.6
122.31493	0.2
124.01677	0.2
135.04543	0.3
136.05339	0.2
136.99052	0.6
137.02510	0.4
138.96950	0.2
149.06055	0.2
150.03224	0.6
160.84155	0.3
161.06372	0.3
163.04010	5.3
164.04674	0.3
168.53552	0.2
177.05579	1.1
177.06850	0.2
191.07118	0.2
205.05403	0.2
205.08701	0.6
218.07442	1.6
218.46677	0.2
218.86922	0.3
219.06874	8.2
220.07184	0.2
259.20636	1.1
261.18597	5.9
262.18839	0.6
275.20102	0.4
287.13284	3.9
288.13654	0.2
303.16498	12.0
303.19635	100.0
304.16718	0.7
304.19968	7.8
323.31903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30863	1.0
62.61117	1.0
81.03479	1.9
83.05009	2.5
85.56101	1.1
97.67281	1.1
99.08151	4.3
122.03723	3.3
135.04515	2.8
165.12848	2.6
171.76556	1.1
177.12842	3.6
203.10799	2.3
222.52171	1.1
303.19641	100.0
304.19934	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	303.2327
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.01875	7.0
69.70869	1.2
69.71209	0.4
81.03464	0.4
95.05024	2.2
108.02174	0.7
119.24969	0.4
122.03754	0.4
136.05276	3.4
140.82867	0.3
144.57562	0.3
149.06111	2.7
153.04236	0.4
163.07652	1.3
210.35670	0.4
247.20686	2.2
248.46042	0.4
259.24121	0.4
275.20181	0.7
301.21802	0.5
303.23257	100.0
304.20386	0.7
304.23633	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	303.2328
Annotation	Dihydroazorellolide
Peak:m/z	Relative Intensity
53.45954	1.1
53.67298	1.0
55.01869	2.0
57.97260	1.0
59.01347	1.3
61.98831	2.0
64.49560	1.0
69.17288	1.0
71.44675	1.1
74.32568	1.0
79.95728	1.9
81.03445	4.7
92.92781	1.3
94.92507	2.1
95.05013	1.0
108.02161	20.0
109.02930	3.1
116.92905	1.6
121.02931	1.4
122.03741	4.2
125.02447	1.2
125.75059	1.1
135.04509	1.8
136.01619	1.5
137.02423	2.6
149.06061	1.3
150.03195	1.5
217.07680	1.1
218.86710	3.2
261.22128	5.4
275.20160	29.3
276.20444	2.4
303.01483	1.1
303.19623	66.5
303.23273	100.0
304.20026	7.0
304.23630	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	303.2327
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.01867	1.7
55.44913	0.6
59.01375	1.1
61.98829	0.8
69.20860	2.9
74.55280	0.6
79.05528	0.9
81.03448	2.5
83.05035	0.6
85.74464	0.6
95.05045	1.3
108.02172	10.2
109.02963	1.3
112.49112	0.5
121.02962	0.9
122.03732	2.1
123.04514	6.0
125.02396	0.9
129.86931	0.6
135.04500	1.0
136.01614	0.9
137.02469	0.8
150.03209	0.9
163.41805	0.6
164.30701	0.5
259.24368	1.4
261.22278	0.9
275.20132	15.7
276.20401	1.6
303.19632	38.3
303.23273	100.0
304.20056	2.9
304.23633	7.6
327.58722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07400	0.3
55.01850	0.4
59.01379	10.3
60.01715	1.2
61.98830	100.0
70.04178	0.4
70.04510	0.8
74.42628	0.4
115.02567	0.3
116.02732	0.4
117.00393	0.4
117.02242	0.5
117.95544	0.6
118.00612	0.5
119.00135	0.7
119.95257	1.6
123.78493	0.4
134.97086	1.5
159.01520	1.9
159.96556	1.9
160.01610	3.7
160.96646	0.5
161.01212	5.3
161.96304	5.4
161.98947	22.7
162.96535	2.6
162.99092	1.1
173.65491	0.4
183.54379	0.3
183.56728	0.4
187.33018	0.4
202.02823	1.3
203.02374	1.2
204.00021	4.8
204.02913	0.6
261.99164	0.6
262.01712	0.4
303.23312	6.5
303.26822	0.5
304.00186	16.1
304.02911	4.7
304.23718	1.9
304.99774	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	304.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71951	34.0
55.98380	40.7
58.47401	32.5
59.01361	33.7
62.63183	36.6
69.40435	86.9
69.40840	100.0
104.89908	32.2
113.73788	35.9
135.03011	45.7
154.61765	33.4
206.99767	47.5
222.40269	36.0
291.10150	35.4
328.82269	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	38.6
69.51041	0.5
69.51426	0.8
74.02436	0.3
125.02459	0.4
168.13928	100.0
169.14307	3.4
177.05522	0.7
212.12930	1.6
233.04475	0.5
249.03915	0.3
261.04099	0.5
277.03546	0.6
304.19168	1.1
305.02942	0.3
305.06305	0.4
323.50137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01379	1.0
61.39632	0.3
69.03449	0.3
69.10943	1.9
71.01378	13.7
72.99300	4.9
81.03462	0.7
83.01403	0.4
83.89224	0.2
84.44751	0.3
87.00881	1.9
87.01348	0.3
89.02446	2.7
93.03507	0.3
95.05045	0.6
97.02967	0.8
98.21877	0.5
101.02464	0.7
109.02954	1.6
111.04524	1.1
115.00371	40.3
116.00768	0.6
118.96629	0.5
119.03446	0.4
121.02949	0.4
123.00887	1.0
124.01657	0.5
125.02444	13.8
130.96640	2.2
133.01428	100.0
134.01782	1.7
137.02434	4.0
139.04015	2.9
148.97675	0.9
149.04539	0.6
151.03999	0.3
161.02460	0.6
164.01154	1.0
165.01900	2.8
167.03520	3.5
177.05536	0.8
179.03502	2.4
179.05629	0.7
188.97235	0.7
191.07109	0.3
200.89429	0.3
201.05484	0.3
202.95097	6.4
204.04323	0.5
219.06628	2.4
221.04552	1.2
228.97516	0.8
230.98280	0.5
244.96149	4.5
261.07700	0.7
268.93643	0.3
293.38989	0.3
304.98334	1.0
305.06598	10.0
305.11935	0.4
306.06775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0302
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
55.01863	4.0
65.03953	2.2
67.53951	1.5
69.36003	6.7
69.36413	3.9
77.03984	2.4
79.95524	1.7
93.03445	8.6
105.07093	8.8
109.02960	7.6
112.25832	1.6
115.05550	4.1
117.07092	7.6
121.02983	5.2
121.06585	7.4
123.84610	1.7
125.02464	8.8
131.05013	2.4
133.02962	4.1
133.06598	24.5
134.03746	5.4
134.07001	2.5
136.01669	5.3
137.02458	10.7
137.06065	3.8
139.04007	3.3
143.04932	1.6
145.06621	1.7
146.03726	5.2
147.84113	1.6
149.02460	9.3
149.06078	48.5
151.00398	2.2
159.04507	6.1
161.02481	2.5
161.06079	38.5
162.03206	13.6
163.03995	2.3
165.01965	16.4
165.05588	3.8
166.02400	2.0
174.03192	2.3
177.02039	11.5
177.05574	100.0
178.05917	3.7
179.03613	1.7
187.04016	6.7
189.05602	20.4
190.02733	7.9
192.00639	2.7
193.01416	4.8
193.05113	8.9
205.01677	1.9
205.05052	42.1
215.03523	2.8
217.05049	10.6
218.02223	5.2
221.04539	66.8
222.04962	3.0
231.02998	2.4
233.04544	63.2
234.04874	3.2
243.02940	2.5
249.01421	3.3
249.04028	69.3
250.04453	3.8
261.04041	91.0
262.04382	7.7
277.03522	65.7
278.03833	3.6
305.03036	90.4
305.06567	4.7
306.03391	5.9
314.14081	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	305.0303
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
50.93049	0.7
52.97180	0.6
58.28556	0.7
59.01379	1.0
69.27038	3.1
76.28034	0.7
83.01330	0.7
96.29165	0.6
98.22566	1.7
104.97451	0.6
125.02445	6.1
137.02402	2.2
139.04015	1.7
145.02994	0.7
165.01888	1.1
167.03481	1.0
168.85822	0.8
169.35579	0.6
179.03514	1.2
189.01926	2.2
190.02718	16.0
215.16525	0.9
217.01399	17.5
217.09019	1.0
218.02194	19.3
219.02478	1.0
219.06766	1.0
245.14020	0.8
246.01691	100.0
247.01997	5.1
261.04034	39.2
261.16962	1.9
262.04337	2.6
305.03009	6.2
305.06638	6.1
305.10211	1.0
305.15915	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	305.0665
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
57.03444	8.3
60.70702	0.7
67.01885	0.7
69.03449	1.9
71.01379	0.8
72.99306	0.7
81.03471	3.3
83.01366	3.8
85.21336	0.6
87.00821	0.7
93.03455	2.5
95.01390	2.2
95.05039	3.8
97.02950	5.2
107.05067	0.7
108.02191	0.6
109.02954	9.5
111.04520	7.6
115.00365	2.4
121.02951	2.5
123.00878	5.8
123.04520	1.3
124.01667	4.9
125.02441	100.0
126.02793	2.6
131.05023	0.6
133.01425	7.3
133.02977	1.0
135.04535	2.3
137.02441	26.3
138.03255	1.8
138.55742	0.7
139.04007	20.1
147.04515	1.1
147.08167	0.6
149.02423	1.2
149.06100	1.9
151.04008	2.1
159.04524	1.3
161.02437	3.4
164.01131	7.1
165.01924	20.3
166.02594	1.0
167.03487	20.7
173.06033	1.1
175.03995	2.0
177.01938	2.2
177.05608	5.1
178.02713	0.8
179.03487	19.8
180.03813	0.9
181.05045	1.3
189.05551	0.9
191.07144	2.4
201.05559	1.9
203.03491	3.3
204.04251	4.3
215.07187	1.0
219.06609	16.8
219.10056	0.7
220.06792	0.7
221.04498	6.8
233.08270	0.8
237.07623	1.1
243.06630	1.8
247.02582	0.7
261.07657	6.2
274.84695	0.6
287.05621	1.0
305.06656	70.4
306.07034	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	305.0665
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
51.91196	0.7
57.03447	8.5
59.01368	2.1
60.57515	0.6
62.87925	0.6
69.03448	2.0
69.08604	3.5
72.99319	0.9
73.50588	0.7
78.44482	0.7
81.03449	4.4
83.01390	4.2
83.05039	0.9
84.41739	0.8
90.31525	0.7
93.02908	0.7
93.03448	2.9
95.01376	2.3
95.05019	4.2
97.02958	4.6
109.02944	10.9
111.04507	9.0
121.02930	2.6
123.00865	6.2
123.04531	1.0
124.01660	5.8
125.02443	100.0
126.02782	1.4
135.04510	2.1
137.02441	30.2
138.03238	1.9
139.04002	20.0
149.02449	1.0
149.06047	2.5
151.03992	3.1
155.03436	0.9
159.04547	2.0
161.02449	3.5
162.03201	1.3
164.01147	7.3
165.01915	18.3
166.02544	1.2
167.03488	22.8
173.06105	1.3
175.04004	3.8
175.07538	1.0
176.04767	1.3
177.02002	1.5
177.05508	4.3
178.02708	0.8
179.03487	20.1
189.01738	0.8
189.05568	0.9
191.07111	2.4
201.05521	0.9
203.03528	3.9
203.75165	0.7
204.04298	2.8
215.07149	0.7
218.05875	0.9
219.06613	15.9
221.04506	7.6
233.08118	0.9
243.06689	1.5
261.07712	7.2
263.05502	0.7
287.05469	1.2
305.06644	70.7
306.07037	4.1
306.96454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01845	1.0
57.03449	9.7
59.01369	1.9
69.03451	1.7
81.03469	4.0
83.01383	4.6
83.05051	1.0
83.53413	1.0
93.03465	3.5
95.01369	2.7
95.05013	3.8
97.02938	4.4
98.22635	3.3
107.05009	1.0
109.02950	12.2
110.12828	1.0
110.47516	1.0
111.04513	9.9
121.02964	4.0
123.00894	5.3
124.01680	6.1
125.02441	100.0
126.02775	3.0
128.28810	1.1
133.03049	1.1
135.04485	2.4
137.02443	32.0
138.03259	1.7
139.04002	24.0
145.40109	1.0
147.04567	1.1
149.02461	1.5
149.06084	2.6
151.03943	3.3
159.04512	3.0
161.02473	1.8
164.01131	7.2
165.01917	19.7
166.02509	1.3
167.03481	22.4
175.04031	1.6
177.01968	2.1
177.05547	5.0
178.02599	1.4
179.03485	20.4
191.07137	2.6
201.05574	2.0
202.43445	1.1
203.03531	3.7
204.04260	3.6
218.05925	1.2
219.06584	16.1
221.04495	7.9
237.07706	1.2
243.06555	1.4
261.07666	7.0
305.06644	63.1
306.06900	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	305.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66839	0.6
55.95696	0.6
57.03449	0.8
59.01378	39.1
71.01399	0.8
72.99316	4.4
79.95776	1.8
81.03452	0.7
96.96010	100.0
97.02951	0.9
97.06585	0.7
109.02971	0.7
111.04469	1.5
120.88380	0.6
123.00950	0.8
125.02443	12.4
126.92113	0.6
128.03568	1.2
137.02466	4.2
139.03999	2.2
143.04601	2.1
143.14854	0.7
147.08182	1.6
161.06053	0.6
161.26311	0.6
163.11220	0.8
164.01196	1.0
165.01968	1.9
165.09198	0.9
166.72595	0.6
167.03467	3.8
175.06044	3.6
177.01955	0.6
177.05559	1.4
179.03442	3.3
181.12367	1.7
183.10287	1.1
190.04388	0.6
215.75435	0.7
219.06677	0.9
221.04556	1.6
225.11316	25.8
226.11656	1.3
233.04518	0.6
277.03589	0.7
287.11322	0.7
289.20901	0.6
305.06955	92.3
305.12006	5.5
306.07217	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	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
56.38412	0.7
57.03441	3.6
59.01379	32.9
65.03963	1.3
72.99305	3.4
79.95756	1.7
81.03461	2.5
82.82979	0.8
83.01382	1.2
93.03452	4.6
95.01421	1.2
95.05042	1.7
96.96012	74.9
97.02956	3.3
104.19587	0.7
105.03442	0.9
105.07080	1.2
109.02953	6.0
111.04527	4.5
117.07132	1.9
121.02960	3.0
121.06599	1.1
122.64245	0.9
123.00894	4.2
123.04507	1.1
124.01646	3.0
125.02446	50.4
126.02727	0.9
133.06580	7.4
134.03772	1.3
135.08171	0.9
136.01706	1.0
137.02432	16.0
139.04021	11.9
143.54381	0.8
145.87656	0.9
147.08134	1.6
149.02513	3.8
149.06091	14.5
151.03999	1.6
159.04521	3.1
161.02440	2.3
161.06088	11.1
162.03239	3.3
164.01163	3.9
165.01930	16.5
167.03493	10.9
175.04021	1.7
177.02075	4.7
177.05568	29.6
178.05919	1.7
179.03499	10.6
181.12300	1.2
187.04004	2.4
189.05643	4.5
190.02737	1.9
191.07228	2.2
193.01393	2.1
193.05052	2.5
200.22156	0.9
200.24208	0.8
201.05661	1.0
203.03499	1.0
204.04285	1.2
205.05043	14.0
215.03345	0.8
217.05072	4.0
218.02148	1.9
219.06642	8.5
221.04550	24.3
222.05031	1.1
225.11302	19.2
233.04544	17.8
245.13846	1.1
249.03995	18.2
261.04044	28.6
261.07458	2.4
262.04276	1.3
269.02533	0.9
277.03537	18.4
302.90030	0.9
305.03058	27.3
305.06885	100.0
305.12515	6.1
306.03546	1.7
306.07211	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16326	0.9
56.98030	8.3
57.03446	6.9
59.01369	6.2
60.97505	1.0
63.96238	6.5
69.97393	2.1
71.01343	3.9
72.97523	1.7
72.99309	13.8
73.02917	1.2
73.98317	44.9
74.99094	81.2
75.00838	1.8
81.03416	1.4
81.07078	1.4
83.04987	3.5
85.02470	1.4
85.02946	23.5
87.00872	16.6
87.04476	1.7
89.00623	2.4
95.04985	1.1
96.95995	1.6
97.01177	4.8
97.06538	1.9
98.99069	2.6
99.00850	4.6
99.04488	1.3
99.99856	1.4
100.96973	2.6
102.98534	2.4
109.02892	1.8
109.06573	1.4
112.98759	3.5
113.04265	1.9
114.98535	4.1
115.02235	30.5
115.07603	1.0
116.02503	0.9
116.62464	0.9
117.00140	7.3
117.97258	2.6
123.08111	1.3
125.02435	12.7
127.07610	1.0
128.96472	2.5
129.01917	4.3
135.01167	2.3
135.02959	4.7
135.08093	2.3
135.98343	6.1
136.99152	7.6
137.02480	4.4
138.05571	5.2
139.03960	2.5
142.99789	2.9
153.09190	6.9
164.01154	0.9
165.01895	2.0
167.03430	2.5
173.00832	3.1
173.02335	1.0
179.03398	2.5
181.12215	3.0
183.10161	1.4
190.02644	2.0
197.15291	1.1
206.99562	2.1
215.16376	1.6
216.22842	0.9
217.01373	1.7
217.09032	100.0
218.02069	2.2
218.09235	3.8
219.06516	1.7
225.11285	1.4
230.73450	0.9
237.17772	0.9
243.10539	1.1
243.16077	5.6
245.13925	15.0
246.01677	13.2
247.01892	1.1
261.03854	4.2
261.17047	7.3
287.09576	8.5
287.14740	1.9
305.06592	11.5
305.10416	89.1
305.15845	33.3
305.19501	1.5
306.10861	4.7
306.16119	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
57.03444	12.9
57.86806	1.7
59.01379	97.2
59.55508	1.7
64.14618	1.6
65.04001	1.8
69.03464	3.7
69.66531	4.2
69.66917	4.0
71.01380	49.3
71.05009	2.6
72.99310	46.2
73.02932	9.4
74.02465	12.7
74.99094	2.3
76.43660	1.9
81.03455	4.3
81.07095	8.5
83.01392	6.3
83.05015	3.8
85.02945	14.6
85.06582	3.0
87.00886	3.5
87.04525	2.1
88.04023	3.1
89.02444	49.6
93.03500	2.6
95.01413	5.0
95.05022	2.2
96.96043	7.5
97.02960	2.0
98.02509	2.8
99.00874	15.6
101.02443	33.9
109.02941	13.4
109.03575	2.1
111.00874	3.2
111.04522	6.5
113.02441	20.4
113.06099	3.3
116.03539	8.0
117.01910	2.4
117.17265	1.9
119.03495	25.4
121.02964	3.1
123.00931	3.1
123.04504	3.4
124.01679	3.8
125.02441	75.8
125.06109	6.6
128.03494	2.8
128.68204	2.1
129.01915	8.1
129.05605	2.5
131.03517	3.3
132.03076	2.0
132.04536	3.6
137.02449	22.9
138.05641	3.4
139.04012	17.0
143.03494	3.5
143.04538	2.4
143.07126	5.5
144.04575	2.3
147.03011	4.4
151.04010	2.5
151.11226	2.1
161.02429	7.1
161.04561	8.5
164.01147	3.5
165.01904	13.0
167.03445	16.2
175.06133	16.6
177.05612	3.3
179.02176	1.9
179.03467	10.6
179.05682	2.5
181.12329	4.5
187.09703	2.2
199.13542	3.4
214.57364	1.9
215.12964	3.8
219.06622	10.8
221.04572	5.5
225.11388	2.6
231.12408	1.9
243.12230	3.6
260.44092	2.0
261.08484	6.4
261.13416	5.7
269.10278	4.6
287.05777	2.1
287.11371	11.1
287.14529	2.3
291.63925	1.9
305.06818	54.5
305.12411	100.0
305.15836	4.1
306.07211	6.4
306.12860	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65891	0.5
55.01866	0.7
55.14487	0.5
57.03443	1.2
58.02965	2.3
58.18617	0.6
59.01379	51.5
59.31738	0.5
64.54773	0.5
67.52264	0.5
70.59028	0.8
71.01382	4.3
72.99308	37.6
73.02949	1.2
73.99655	0.6
74.02467	3.5
74.99109	1.0
75.00867	0.9
76.98315	0.5
79.36465	0.6
79.95362	0.7
79.95711	2.6
83.01378	0.6
85.02949	2.4
86.02493	1.4
86.99100	0.7
87.05660	1.3
89.02428	0.9
90.00214	0.7
95.01377	0.7
96.96011	100.0
97.04057	0.6
97.06585	1.0
99.00871	1.5
99.05641	3.7
101.02445	3.6
102.05653	0.7
109.02947	0.6
109.04073	0.9
109.06514	0.5
113.02444	2.3
121.02946	0.6
124.01729	0.8
125.02449	7.1
126.02792	0.7
127.05103	1.0
128.03542	10.8
129.01955	1.2
135.02936	0.6
135.05611	0.7
135.08157	0.7
137.02472	2.6
139.04002	0.6
139.11282	2.1
141.06700	1.0
143.04614	13.7
146.04631	1.1
147.08163	2.0
153.06760	1.3
153.12846	0.7
155.10728	0.9
160.00763	3.5
161.04610	1.3
162.30032	0.5
163.11346	0.7
165.09167	0.8
166.09897	0.8
167.03485	3.5
167.04677	0.8
167.27165	0.6
169.12306	1.5
171.10275	3.4
177.03374	1.3
177.05490	0.6
179.03438	1.6
179.04663	2.2
181.12335	9.5
182.12677	0.6
183.10251	5.9
184.81282	0.6
197.05844	0.9
199.13382	0.6
201.11391	1.2
210.08842	2.6
215.12894	2.6
217.09042	0.6
219.06575	0.8
225.11314	34.2
226.11671	1.7
231.12328	1.2
243.12379	1.8
245.10309	1.1
254.07858	3.7
269.10284	6.6
272.08948	5.3
287.11328	4.4
288.06711	1.3
305.07001	97.9
305.12445	58.3
305.15656	2.2
306.07504	11.9
306.12775	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04491	1.7
59.01377	100.0
65.56604	2.2
69.47208	6.7
71.01383	46.1
72.99297	6.0
73.02895	1.6
75.00880	4.1
78.09890	1.8
81.03449	7.5
83.01379	3.3
84.02155	3.0
85.02897	2.9
87.00880	12.9
89.02444	51.9
99.00883	16.3
99.08165	2.7
100.41827	1.8
108.02167	20.5
109.06579	6.1
111.00874	2.7
111.08143	7.0
111.20541	1.9
113.02486	2.2
115.00370	57.1
117.01939	62.9
121.02956	2.8
121.06576	3.0
122.03729	4.4
123.04530	2.6
123.08167	15.4
125.02436	6.0
125.06095	2.6
125.09701	4.0
127.07623	13.9
135.08138	2.5
136.05302	3.5
137.09714	3.7
139.00336	2.2
139.03979	3.6
139.07634	12.2
141.09198	5.4
149.09721	2.3
150.03221	3.6
151.07645	62.8
152.07961	3.3
153.09225	5.0
155.07150	7.5
163.07524	2.2
165.09204	17.9
167.07156	2.1
169.08719	6.5
173.08192	42.8
175.02469	35.9
175.03922	3.2
175.07756	2.1
181.08705	9.1
183.10309	3.8
193.08701	12.5
211.09769	31.8
213.07680	57.1
214.07932	2.3
233.81042	2.0
245.10176	2.0
255.08727	3.4
261.07855	2.1
273.09741	4.2
305.06815	3.0
305.12439	4.5
319.92957	2.0
327.05026	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1393
Annotation	Heleniamarin
Peak:m/z	Relative Intensity
59.01379	8.6
61.98807	3.3
66.03591	0.9
70.99158	1.8
95.01421	1.0
105.04908	1.2
107.01397	3.3
108.02185	4.4
109.02943	10.5
121.02957	2.0
122.03749	1.1
124.01648	1.6
125.02460	2.9
134.03731	3.0
136.01593	2.4
137.02446	12.2
141.01694	4.9
150.03183	2.1
152.01157	2.9
162.83894	2.3
177.16472	1.1
178.83583	1.2
179.14456	1.3
189.16518	1.3
203.14429	2.5
205.15999	1.4
207.13939	6.7
221.15427	12.7
231.13690	1.3
233.15451	16.4
249.14923	15.6
250.14944	1.1
261.03989	1.0
277.14429	100.0
278.14825	4.3
282.79504	1.3
305.08377	1.7
305.13937	70.9
305.17291	4.9
305.21179	5.6
306.14319	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58459	0.9
57.03451	1.2
59.01377	100.0
65.06966	0.8
71.01379	7.1
72.99300	1.0
73.02933	2.3
73.05617	0.9
75.00884	1.7
83.01369	1.2
85.02964	3.8
89.02444	1.6
99.00874	1.7
101.02455	7.2
107.04987	1.0
109.02933	1.2
113.02468	2.7
117.01926	1.0
125.02454	8.5
135.02995	1.4
135.04480	0.8
137.02425	1.8
139.03981	1.3
151.07750	0.9
161.04567	2.6
165.01967	1.4
165.09229	0.9
167.03516	1.7
174.12869	1.5
175.13164	4.2
179.03499	1.3
219.06674	1.2
221.04521	1.2
228.11552	0.9
247.19713	0.9
263.14981	11.0
287.12741	2.2
305.06760	6.4
305.12393	1.2
305.15921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03447	0.6
59.01376	100.0
59.90315	0.3
60.01709	0.9
66.60838	0.3
69.21967	0.7
69.22372	1.2
71.01378	4.3
73.02941	2.2
83.01388	1.7
85.02952	3.5
89.02425	0.5
90.98575	0.4
91.11930	0.4
93.96097	0.3
95.01369	0.5
99.00906	0.7
101.02443	5.1
113.02440	1.6
125.02425	0.4
161.04532	2.2
177.66258	0.3
185.23009	0.3
263.14954	6.9
304.88721	0.4
305.10437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1748
Annotation	Monoisodecyl phthalate
Peak:m/z	Relative Intensity
50.76930	1.2
55.58842	1.3
57.03429	1.7
59.01379	19.3
61.98831	6.6
62.89492	1.2
68.99805	1.4
69.03450	1.3
71.46753	1.9
83.04987	1.3
93.03464	2.4
95.01383	5.2
99.00657	3.9
101.85025	1.7
107.05049	2.0
108.02171	1.4
109.02935	5.2
110.00089	3.1
111.00922	1.9
117.07044	1.5
121.02920	2.0
123.00883	46.9
124.01678	13.2
125.02429	10.6
133.06596	2.4
134.03737	2.1
137.02443	22.1
138.03186	4.9
141.01677	10.3
146.96671	1.3
149.06056	2.7
151.00346	4.1
151.03928	2.7
152.01050	1.6
155.14400	5.8
160.84167	1.3
161.06047	4.0
164.01129	1.5
165.01906	18.9
165.05571	2.3
167.03473	1.5
177.01872	1.9
177.05548	7.7
177.16521	9.1
179.03490	1.8
187.03973	1.6
189.05629	1.8
193.08778	3.3
193.15942	3.5
205.05055	2.3
218.54559	1.4
221.04491	6.3
221.08110	1.4
233.04482	5.1
249.03995	5.1
261.04025	7.6
261.22223	2.5
262.15665	4.2
277.03525	5.4
277.08405	1.3
277.18042	2.2
290.15155	5.8
305.02957	10.0
305.06775	5.2
305.17520	100.0
305.21133	63.1
306.17841	5.9
306.21365	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	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.66445	1.2
57.03435	3.6
57.78659	1.7
59.01372	6.7
65.03960	2.0
70.59301	2.2
71.05022	9.1
78.73978	1.5
79.05537	12.6
85.78103	1.4
93.03481	2.9
95.05020	1.9
97.06576	18.6
97.59694	1.7
106.04225	8.3
107.05030	2.7
109.06593	2.6
117.07108	1.9
120.05811	6.6
121.06539	3.6
123.08151	8.0
123.12495	1.4
125.09720	20.6
135.08162	100.0
136.08502	3.9
137.09685	1.8
141.01601	1.7
151.11214	2.0
155.23721	1.6
183.10281	2.2
185.11913	2.0
205.15965	5.5
207.10229	2.0
209.11819	2.3
249.14957	51.7
250.15292	2.9
263.16605	3.1
277.18372	2.1
287.16455	8.6
305.08136	2.6
305.17566	90.4
306.17831	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	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03450	2.9
59.01378	11.2
64.81820	1.5
70.96219	2.0
71.01388	1.9
71.05019	48.8
80.02681	1.6
81.03467	6.3
93.03446	4.2
94.24062	1.5
95.05024	22.8
106.04223	2.4
107.05009	3.0
109.06589	17.8
111.04530	3.9
119.05066	1.6
119.22078	1.4
121.06594	4.4
122.03762	2.6
123.04455	1.3
123.08125	1.5
127.07687	3.1
128.06000	1.5
133.06506	1.4
135.08102	3.0
139.19730	1.6
141.01651	4.7
147.08130	3.6
161.06058	3.3
161.09767	2.2
165.09201	13.2
177.08879	1.5
179.14445	1.3
189.12852	19.5
202.81993	1.5
205.15877	8.9
215.10561	1.7
220.94684	1.5
231.13757	1.8
233.11810	8.5
233.15428	6.2
243.17496	14.2
249.14923	15.5
261.18634	3.7
263.16312	2.1
269.15442	2.5
278.78528	1.5
287.16550	100.0
287.19983	11.7
288.16818	5.0
295.46954	1.4
305.08148	2.3
305.17529	99.4
305.21173	53.4
306.17850	7.8
306.21613	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	305.2121
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
52.62046	0.2
59.01375	1.2
61.98811	0.3
67.24133	0.2
69.03431	0.3
69.74064	0.7
71.04995	0.3
77.96547	0.2
80.02684	0.3
81.03429	0.3
93.03447	0.8
95.01395	0.3
96.02155	0.5
97.02946	0.3
108.02176	0.7
109.02970	1.9
110.03767	1.3
121.02954	1.2
123.00877	1.2
124.01654	21.5
125.02428	0.7
134.03731	3.8
137.02432	5.4
138.03230	8.8
141.01721	0.7
142.02585	0.2
149.06012	0.3
151.04010	2.9
152.01144	0.5
152.73396	0.2
153.01918	0.2
161.06221	0.2
162.83926	0.2
165.05560	1.0
177.05568	0.5
193.08653	0.2
205.05049	0.2
207.10242	0.6
208.11113	0.4
221.04556	0.3
233.04448	0.3
249.22185	0.4
259.20667	0.3
261.04007	0.5
261.14856	0.2
262.15695	0.7
263.20184	0.5
276.85837	0.2
277.03604	0.2
277.21548	0.3
287.20206	1.5
288.20746	0.2
304.20401	1.4
305.21191	100.0
306.21518	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	305.2121
Annotation	Havardic acid F
Peak:m/z	Relative Intensity
59.01386	0.8
61.98816	0.3
69.03450	0.3
69.69445	0.4
69.69849	0.4
80.02660	0.5
81.03445	0.3
93.03419	0.8
95.01378	0.4
95.05032	0.2
96.02177	0.4
97.02943	0.4
106.04236	0.3
108.00917	0.2
108.02164	0.5
109.02974	1.5
110.03741	1.5
121.02956	1.1
122.03687	0.3
123.00887	0.9
124.01661	17.8
125.02467	0.3
134.03728	2.9
137.02431	5.8
138.03226	8.8
139.03549	0.2
141.01706	0.5
151.03993	3.5
152.01123	0.7
153.01923	0.2
165.05536	1.2
168.24065	0.2
179.03381	0.2
196.41594	0.2
207.10222	0.3
208.10912	0.3
235.20674	0.2
249.22174	0.4
257.21237	0.2
259.20670	0.4
261.22198	6.4
262.15646	0.8
262.22565	0.5
263.20221	0.4
274.40189	0.2
277.17847	0.2
277.21637	0.3
287.20270	0.9
296.17899	0.2
304.20483	1.3
305.21191	100.0
306.21524	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	305.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25373	0.1
51.81511	0.2
56.93936	0.1
59.01384	0.7
69.56075	0.4
80.02679	0.3
91.79035	0.1
93.03466	0.3
95.01377	0.3
106.04236	0.5
108.88802	0.1
109.02937	0.2
121.02948	0.4
123.00890	2.7
124.01686	1.6
134.03783	0.6
137.02463	1.5
138.03229	27.0
139.03539	0.7
140.01164	0.2
141.01703	0.4
151.04002	9.8
152.04425	0.3
165.05554	2.0
166.38768	0.2
170.02203	1.6
187.42252	0.2
188.89337	0.1
193.08720	0.3
207.10255	0.4
219.84560	0.1
259.20673	0.4
262.15735	0.6
263.16382	0.2
277.18036	0.6
290.18744	0.3
305.21204	100.0
306.21545	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	305.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83528	0.2
57.03437	1.1
59.01372	0.9
61.98851	0.2
65.28873	0.2
69.68836	0.5
77.71265	0.2
81.03455	4.1
83.05009	0.7
94.27776	0.3
95.05005	0.2
95.84590	0.2
97.06583	1.4
98.22590	0.3
101.06161	0.2
111.08159	0.3
113.09727	2.9
122.03748	2.3
123.04527	0.3
125.09711	0.4
137.02319	0.2
141.01700	0.7
147.11772	0.3
149.09712	0.3
153.88742	0.3
163.26178	0.2
165.12840	6.8
221.19115	0.8
243.17522	0.2
247.72528	0.2
261.22162	0.3
263.20129	0.5
267.16061	0.3
287.16461	0.4
305.21191	100.0
306.21497	6.9
312.16898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2123
Annotation	3alpha,11beta-Dihydroxy-5beta-androstane-17-one
Peak:m/z	Relative Intensity
59.01386	8.1
61.98837	3.5
63.49989	1.3
65.50208	1.6
69.81927	4.0
69.91579	1.5
71.05017	3.4
81.03452	2.9
88.87584	1.4
95.05072	1.6
95.61306	1.4
109.02933	1.9
109.06612	1.3
112.39623	1.4
115.97808	1.7
122.03774	2.5
125.02432	6.1
135.04550	2.5
137.02432	2.7
141.01715	3.4
146.86618	1.6
161.02373	1.5
161.82707	1.3
162.91098	2.3
165.01979	2.1
175.45782	1.7
177.05656	2.2
191.14343	1.8
192.90982	1.6
221.11774	2.0
233.04669	1.7
233.15387	12.2
249.03973	2.1
260.05112	1.3
260.35300	1.5
265.30106	1.8
287.16550	6.0
287.20154	27.6
288.05594	1.8
303.19632	1.7
305.03436	1.7
305.06830	4.5
305.13815	4.6
305.17749	7.1
305.21204	100.0
306.21548	7.9
307.16830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2121
Annotation	3alpha,11beta-Dihydroxy-5beta-androstane-17-one
Peak:m/z	Relative Intensity
51.36134	0.8
56.58374	0.8
59.01366	5.1
59.87327	0.8
61.98819	2.0
69.56716	3.2
76.91879	1.0
78.62247	1.0
81.03439	2.7
85.76459	0.8
121.71587	0.8
122.03762	2.6
125.02384	4.0
135.04538	1.3
137.02496	0.9
141.01682	2.7
146.86697	1.4
165.01865	0.8
167.03406	1.0
170.88388	1.0
179.03525	1.2
219.13907	2.7
221.04454	1.1
235.13361	14.9
236.13866	1.3
245.19254	1.1
277.14536	1.1
287.20148	20.4
288.20596	1.1
303.19717	2.4
305.06738	1.8
305.14102	4.2
305.21207	100.0
306.21579	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	305.2121
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
59.01377	17.8
61.98820	4.8
81.03456	3.4
82.16413	1.5
92.21842	1.6
97.03891	1.7
97.06544	2.2
122.03776	2.4
123.68532	1.7
125.02451	4.9
137.41331	1.7
137.99599	5.1
141.01671	10.3
162.83932	2.9
162.91220	1.5
165.12860	7.6
193.94879	1.8
231.17767	2.2
261.18616	2.0
277.14899	3.1
277.18042	18.2
303.15994	3.2
305.08069	2.9
305.14017	5.2
305.17551	100.0
305.21204	93.5
306.17874	7.5
306.21542	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	305.212
Annotation	3alpha,11beta-Dihydroxy-5beta-androstane-17-one
Peak:m/z	Relative Intensity
52.36334	0.6
61.98809	0.7
69.42357	1.3
69.42752	1.8
108.02171	34.8
109.03018	3.6
131.91103	0.7
132.17599	0.6
136.01686	1.1
137.02429	1.0
150.03163	1.6
165.01924	0.8
205.89723	0.6
221.04480	0.9
227.39815	0.6
249.04074	0.7
253.81413	0.6
261.04065	1.2
277.21704	53.4
278.22058	2.9
305.03070	0.8
305.21201	100.0
306.21539	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	305.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64392	0.6
59.01375	3.9
61.98820	1.0
63.14583	0.5
65.00322	0.8
70.79657	1.1
79.05515	1.1
81.03452	36.6
122.03897	0.6
123.04522	100.0
124.04849	2.2
141.01691	2.1
236.20177	1.8
261.18542	1.0
305.08438	1.8
305.21204	72.2
306.21515	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	305.2487
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
55.01637	0.5
55.01878	5.6
58.82211	0.3
59.01378	0.6
59.70274	0.2
63.39922	0.2
63.47749	0.2
69.74263	0.6
75.07911	0.2
81.03432	0.3
89.81693	0.2
91.67025	0.2
93.07097	0.5
95.04996	2.1
108.02145	0.3
112.42221	0.2
122.03680	0.3
125.02388	0.3
125.89820	0.3
136.05293	3.3
137.05659	1.5
141.01712	0.5
149.06110	1.2
150.06459	0.5
178.09517	0.5
191.10652	0.2
219.80125	0.3
238.66393	0.2
248.11992	0.3
249.22208	3.2
261.04059	0.3
261.25858	2.5
286.25351	0.3
303.23380	0.3
305.24826	100.0
306.21716	0.6
306.25162	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	306.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22882	14.6
59.01376	28.2
69.97762	30.9
69.98126	32.7
78.16447	15.2
98.22533	24.1
101.02438	16.3
112.74834	15.1
116.96361	14.1
125.02465	100.0
126.02806	32.3
137.02446	20.0
151.31279	16.4
180.03781	21.2
220.06912	23.9
222.04840	17.8
240.76541	16.1
255.48471	20.9
306.07056	88.2
307.10391	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	306.2075
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
57.56382	0.5
57.88818	0.6
59.01372	1.2
61.98825	1.7
65.00329	0.8
69.30695	2.4
80.02695	0.6
83.01397	2.0
83.84620	0.7
93.03471	0.7
108.02104	0.8
121.02955	2.9
122.02467	1.3
122.06842	0.6
123.00863	1.6
124.01663	12.7
124.68921	0.5
125.02420	0.6
132.53207	0.6
134.03752	3.6
136.04103	0.8
137.02470	2.9
138.03246	9.2
149.06017	0.5
150.01897	1.2
162.83925	1.1
164.03528	7.5
165.04224	0.8
184.65541	0.5
223.20869	0.8
233.19133	1.1
261.18665	1.0
278.18784	2.0
279.19632	33.2
280.20050	1.4
304.19131	1.1
305.19559	0.8
306.20740	100.0
307.21329	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	306.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08681	0.8
59.01359	3.3
67.03442	0.9
69.03432	2.1
80.53178	1.1
83.05011	1.8
85.02930	3.5
94.40298	0.9
95.05006	0.9
97.02953	5.7
111.04482	2.2
121.02935	1.4
123.00841	2.6
124.01681	7.8
125.01957	3.7
134.03693	1.8
137.02411	1.2
137.99524	1.3
138.03163	1.8
139.04044	6.1
151.04059	1.0
204.46213	0.8
262.22519	3.6
279.15878	1.8
279.23233	1.2
282.60745	0.9
288.20337	2.9
305.21124	2.3
306.21625	100.0
307.15448	1.9
307.19125	1.2
307.22284	9.7
309.76031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03428	1.5
58.00589	1.9
59.01377	100.0
69.03455	4.3
69.43224	3.0
71.01380	47.5
72.99319	2.1
73.02941	13.1
74.58927	0.7
81.03452	2.2
83.01389	4.1
83.76566	0.6
84.14639	0.7
85.02942	14.0
87.00871	3.1
89.02440	28.9
95.01395	2.0
96.95997	1.3
97.02934	6.0
98.21900	1.7
99.00847	1.2
99.04556	0.8
99.08154	16.6
101.02440	26.1
101.03096	1.7
103.04009	8.2
112.97953	0.9
113.02437	8.3
119.03497	8.9
125.02445	14.6
127.04041	1.9
127.07625	4.1
129.09204	1.7
131.03458	1.0
141.09218	2.2
143.03497	3.4
145.08702	55.0
146.09048	1.6
161.04539	1.0
163.06134	2.0
179.05530	1.0
187.09727	1.6
189.05522	1.3
220.94589	0.9
247.08179	1.8
307.13959	98.3
308.14499	3.8
317.89130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30870	0.8
51.58472	1.1
59.01377	38.8
70.20502	2.1
76.36385	1.1
96.96012	1.5
98.21968	1.7
139.11247	1.4
181.12338	100.0
182.12692	3.7
194.71632	1.0
225.11343	4.9
229.52606	1.1
247.09483	1.8
261.14856	1.2
263.12613	80.6
264.12991	5.2
265.10715	1.6
282.41656	1.2
307.11615	13.6
307.14978	2.0
308.65936	1.1
313.77646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41898	0.2
59.96703	0.7
60.97483	0.4
62.84242	0.2
65.47812	0.2
67.51217	0.3
70.66546	0.5
72.49816	0.3
74.99065	6.0
77.22538	0.2
91.02217	2.4
93.00118	1.9
104.66227	0.2
116.70747	0.3
143.05301	0.5
149.00981	2.4
159.08472	6.8
161.06386	1.8
192.98073	0.7
198.63850	0.3
206.99619	1.6
209.01230	2.6
217.07285	0.9
223.02818	47.2
224.02888	3.3
241.03894	0.7
275.05881	0.5
275.85989	0.2
279.16010	0.9
289.07529	1.3
290.07272	0.3
291.09082	100.0
292.09201	9.4
292.12564	0.4
293.10007	0.3
307.12210	4.3
307.15518	0.4
307.19357	0.3
307.22803	0.4
308.12231	0.5
309.10089	1.1
327.21005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35534	0.4
59.01358	0.5
59.96702	0.5
69.66695	1.4
74.99068	5.5
91.02212	3.2
93.00124	2.0
108.06581	0.5
122.03787	0.6
123.63294	0.4
139.00238	0.4
149.00929	2.0
159.08466	8.8
161.06349	1.6
176.10080	0.4
192.98083	0.7
206.99677	1.2
209.01274	2.6
217.07259	0.7
223.02817	51.0
224.02916	3.6
225.00774	0.7
241.03836	0.7
250.83772	0.4
275.06015	0.8
279.15994	0.5
289.07483	1.7
289.21704	2.9
291.09082	100.0
292.09229	8.1
307.09064	0.5
307.12283	4.1
307.19208	4.8
307.22708	1.0
308.12366	0.5
309.10269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.00574	0.6
59.01377	40.6
59.97097	0.6
69.36586	2.5
71.01379	15.6
73.02943	0.8
77.19321	0.6
83.01392	0.8
83.15373	0.7
85.02960	4.0
87.00831	1.1
89.02437	16.9
95.01394	1.3
99.08157	19.8
101.02444	12.3
113.02447	6.0
113.09782	0.6
119.03493	6.6
127.07636	4.3
129.09193	1.6
141.09224	2.1
145.08702	60.0
146.09004	1.2
179.05507	1.0
187.09816	1.5
193.70062	0.6
201.51999	0.7
263.05396	1.1
307.13965	100.0
308.14294	4.3
328.19028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01871	0.8
57.03437	3.4
58.00573	0.8
58.99599	16.3
59.01379	51.7
63.96225	2.1
69.26350	0.7
69.27988	3.7
71.01380	25.0
72.99319	4.3
73.01173	0.8
73.02934	1.8
73.98313	1.3
74.99095	28.3
83.01375	1.7
84.39886	0.7
85.01137	0.9
85.02953	7.1
87.00886	6.0
87.99866	4.2
89.01871	0.9
89.02441	18.9
95.01392	1.4
97.06588	9.2
99.08128	1.4
101.02450	14.7
101.19551	0.8
113.02439	7.9
115.02206	2.3
117.97335	1.6
119.03520	6.7
127.07655	7.6
131.19868	0.7
135.98335	5.0
136.99133	17.1
137.09706	1.1
141.60452	0.8
143.05388	7.0
145.08714	12.4
146.04013	1.4
162.61504	0.7
169.05324	0.8
183.08472	3.0
249.05522	0.8
249.07797	3.4
289.11032	9.5
301.12589	0.8
307.14252	100.0
308.14603	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30810	1.0
55.01879	1.4
56.07689	0.9
59.01376	100.0
67.60991	0.9
69.22229	4.5
71.01378	51.7
72.99300	1.6
73.02911	1.1
76.08291	0.9
83.01382	1.4
85.02941	9.3
87.00867	2.3
89.02443	66.5
92.92863	1.0
95.01382	3.2
96.96012	26.0
98.22617	1.7
101.02438	23.2
105.72626	1.0
113.02447	22.1
119.03500	25.8
122.31765	1.1
127.07658	20.0
131.03494	2.3
143.03471	4.2
147.08173	0.9
149.04509	1.5
161.04544	3.3
163.07584	1.1
179.05580	6.5
190.33890	1.1
200.91576	1.0
217.05063	1.2
219.06613	1.3
227.12862	4.8
235.05923	1.1
263.05524	4.9
307.04956	1.4
307.08551	18.6
307.13858	6.6
308.08826	1.4
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	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03450	0.6
57.71219	0.4
59.01376	46.2
60.01715	0.5
64.72151	0.4
69.56961	1.4
71.01381	18.3
72.99313	0.5
73.02938	1.7
75.48540	0.3
80.96508	0.5
83.01386	1.7
83.01834	0.4
85.02944	4.5
86.00098	0.5
87.00889	1.1
89.02441	16.5
95.01395	1.0
99.08156	18.1
101.02440	13.0
110.30200	0.4
113.02444	5.9
119.03510	6.4
127.07633	2.5
129.09233	2.4
131.03488	0.4
141.09230	1.4
143.03500	0.7
145.08702	52.0
146.09056	1.0
161.04533	0.8
165.84993	0.4
179.05632	1.1
187.09756	1.1
213.69350	0.4
222.84413	0.4
280.61646	0.4
292.80984	0.4
307.13971	100.0
308.14288	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	307.1549
Annotation	Cinnamodial
Peak:m/z	Relative Intensity
53.25591	0.4
60.63753	0.4
68.55291	0.4
70.08517	1.2
70.92604	0.4
80.02701	0.8
81.03448	0.5
83.05050	0.5
98.22556	0.5
99.62846	0.4
110.00072	2.2
137.99586	23.2
138.99901	0.4
151.00409	1.0
152.01147	3.9
177.33975	0.5
193.15950	2.2
195.17525	30.3
196.16269	0.6
196.17934	2.0
219.17528	0.6
251.16513	24.8
252.16902	1.6
268.50348	0.5
270.17953	0.4
279.15997	100.0
280.16348	6.8
307.15482	24.2
307.19199	0.8
308.15747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
57.93581	0.2
59.01381	1.6
61.98819	0.6
65.00323	1.6
68.99805	0.2
69.63839	0.7
69.64189	0.5
71.01349	0.3
71.11063	0.3
72.02148	0.5
73.02928	0.4
80.02678	0.7
81.03452	16.8
82.03798	0.3
83.01382	1.7
87.04504	1.4
98.22606	0.5
102.71970	0.3
107.01379	1.3
112.68250	0.3
117.91903	0.3
121.02956	0.7
121.48738	0.3
122.03743	2.6
123.04526	0.4
124.01677	0.5
125.02445	5.9
126.03202	0.4
135.04533	0.5
146.89719	0.3
151.00362	2.1
152.01172	0.3
162.03203	0.3
168.50430	0.3
181.15965	0.5
195.17566	0.5
197.19090	0.8
199.17007	1.1
221.19096	5.4
222.19437	0.5
223.17029	9.0
224.17305	0.5
239.20152	0.4
263.20145	41.3
264.20468	2.9
279.15997	1.1
279.23166	0.3
289.18088	1.0
289.25296	0.5
307.19125	100.0
307.22131	4.3
308.19470	6.6
308.23032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	5-O-Methylembelin
Peak:m/z	Relative Intensity
52.41791	0.5
55.01879	0.9
68.23794	0.5
69.64761	1.7
69.65123	0.8
98.21879	0.6
100.67480	0.4
109.02942	3.5
110.03733	10.0
123.00948	0.7
125.02429	2.1
130.27081	0.6
137.02437	3.2
138.03235	13.1
138.76799	0.6
142.02724	1.0
166.02733	8.4
179.03491	2.0
180.04285	3.4
279.19641	9.5
307.19135	100.0
308.19559	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03382	0.6
69.09151	3.8
70.70056	0.5
71.78456	0.5
78.01054	0.5
80.02593	1.3
83.04931	1.5
93.82126	0.6
95.04940	0.8
98.21852	1.2
99.92033	0.6
110.00103	3.3
125.09660	0.8
135.08064	0.6
137.99590	30.1
151.00273	1.3
151.11157	0.9
152.01146	5.7
165.12773	1.0
171.10152	1.6
177.12723	0.6
179.10811	0.6
181.12248	2.3
185.11748	1.9
191.10690	0.8
193.15942	3.5
195.17531	38.0
196.17772	2.0
201.37956	0.6
209.11868	3.8
210.40263	0.5
245.19002	1.2
251.16504	31.3
252.16830	1.7
279.16003	100.0
280.16296	7.1
289.18167	2.0
307.15536	22.7
307.19064	2.8
308.15894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36967	0.5
61.29297	0.5
69.56391	1.9
70.12116	0.5
95.01388	6.5
96.02177	1.7
97.78794	0.5
98.00100	1.1
109.02976	3.0
110.00085	1.2
120.28860	0.5
120.73264	0.5
123.00881	44.8
124.01728	2.5
137.02446	15.0
138.03218	0.5
140.35271	0.5
151.00320	2.6
151.04027	0.6
151.07588	0.6
152.01123	0.5
165.01920	20.2
165.05597	0.9
166.02406	0.6
179.03580	0.8
179.07161	1.5
193.08623	1.3
207.06503	0.6
207.10231	0.5
235.13377	0.6
264.17291	4.1
279.19751	1.3
292.16763	7.6
307.19135	100.0
307.26343	7.7
308.19522	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
51.67222	22.2
59.01366	20.3
61.98829	37.1
65.03954	74.4
65.71546	22.4
71.04999	53.1
75.66842	24.4
97.06593	93.5
98.44447	19.9
116.40142	22.2
119.08608	27.2
121.06580	90.0
123.78603	18.3
125.09731	49.1
126.86838	21.1
149.34402	20.7
152.44247	22.1
185.11835	100.0
209.11806	34.3
211.13379	33.5
226.86166	20.5
235.13364	90.7
289.18451	20.5
307.19128	24.5
318.24957	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	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
61.98829	16.8
65.03948	44.9
66.19706	12.6
69.86809	12.4
71.05015	30.6
79.87437	15.0
97.06568	52.6
99.92574	51.5
119.11974	13.7
121.06594	93.0
125.09692	36.7
170.88452	16.0
185.11761	56.7
189.86931	16.6
209.11821	25.0
210.01236	13.6
211.13445	37.5
235.13368	100.0
244.50365	13.4
270.09064	13.5
307.02805	33.9
307.15479	26.8
307.19086	42.8
308.02402	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	307.1915
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03476	5.7
59.01355	14.6
61.98827	18.2
69.50440	16.9
71.28989	6.0
72.84226	6.3
81.03445	6.2
83.01366	11.7
91.46819	5.3
97.06593	15.9
98.21792	7.4
121.06685	6.6
123.00874	6.8
123.04456	8.8
125.09698	17.2
137.09708	17.0
163.11224	10.7
169.31329	6.2
170.88382	6.0
185.11852	17.1
186.45308	6.8
191.14404	24.5
197.53575	6.2
207.10307	8.2
209.11847	60.0
225.11310	11.8
233.15549	9.1
245.19110	47.2
263.16354	8.0
263.20285	9.0
289.18069	100.0
307.15497	21.5
307.19089	59.3
307.22437	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	11.2
60.27801	6.7
61.98806	9.0
63.01716	6.3
66.83754	6.8
109.06555	17.9
111.04528	9.5
150.42043	6.1
192.30960	7.0
197.15395	8.0
204.92450	7.5
225.15056	15.3
246.88513	7.3
256.64456	5.8
263.37372	6.2
289.18085	100.0
307.15698	12.9
307.19098	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	307.1913
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03437	1.8
59.01372	1.4
65.00314	1.8
70.10285	0.7
81.03452	16.2
82.03819	0.3
83.01380	1.8
87.04485	1.1
99.04543	0.4
107.01363	1.1
121.02982	0.3
121.10836	0.3
122.03754	3.1
123.04551	0.5
124.01664	0.8
125.01662	0.4
125.02460	5.4
137.99553	0.7
151.00311	1.7
152.01149	0.4
155.62907	0.3
162.03220	0.3
189.78748	0.3
195.17609	0.7
197.19084	0.9
199.16978	0.9
221.19102	5.1
222.19397	0.3
223.16998	7.8
223.19016	0.6
244.91679	0.3
245.19096	0.4
245.22778	0.5
251.16495	0.6
263.20139	39.9
264.20523	3.0
279.16110	2.5
279.23248	1.0
289.18109	1.0
289.25397	0.3
296.48312	0.3
307.19125	100.0
307.22253	5.8
308.16098	0.6
308.19489	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	5-O-Methylembelin
Peak:m/z	Relative Intensity
52.04771	0.6
59.01356	1.6
61.98815	1.1
82.36375	0.6
85.60957	0.6
91.01926	0.6
96.96011	0.7
96.99304	2.1
99.95699	0.7
124.01638	0.7
124.98817	1.8
125.02407	3.9
125.99592	11.2
139.00380	1.3
156.11264	0.7
221.15541	1.0
221.19231	0.7
223.20694	1.1
249.14886	2.5
260.73663	0.7
263.16534	1.6
265.14450	12.1
266.14804	0.9
279.16217	0.8
279.19611	0.7
283.41983	0.8
307.19131	100.0
308.19568	7.3
323.59357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03451	13.0
59.01376	7.5
62.91668	2.4
69.03432	3.9
69.46358	9.9
71.01375	8.4
75.72628	2.4
78.63824	2.4
81.03448	2.8
83.05031	4.8
83.71201	2.2
94.80916	2.5
96.09557	2.2
97.06577	16.1
107.05009	2.6
109.00449	2.3
109.06548	5.1
111.08141	9.8
120.10310	2.8
123.04584	3.2
125.09695	3.5
137.99553	9.3
149.09755	3.6
151.04012	2.5
151.11273	20.3
153.09190	3.8
155.10760	9.1
163.11278	3.7
165.12901	21.8
166.10008	3.2
167.10747	6.7
169.12354	3.8
177.12799	3.4
179.10837	6.0
181.12361	32.1
191.10754	14.1
191.14359	6.9
195.17548	15.9
197.11783	4.0
197.69765	2.4
209.11815	59.2
210.12155	3.3
211.13406	7.2
215.77190	3.2
239.09157	3.5
245.19077	35.0
246.18974	2.9
251.16451	13.6
263.20129	9.0
279.15997	42.4
279.19205	5.1
289.18042	38.2
307.15448	12.3
307.19095	100.0
307.22583	10.8
308.19485	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
57.19904	0.4
59.01370	0.7
61.98815	0.5
69.03462	0.7
70.20984	0.4
76.07848	0.3
80.02662	0.6
80.39586	0.3
83.01360	0.4
83.04986	0.6
93.03436	1.1
95.01363	0.6
96.02124	0.4
96.19315	0.4
108.02168	0.9
109.02932	1.4
110.03767	2.0
121.02953	1.7
123.00903	2.3
124.01661	20.3
125.02413	0.6
134.03746	3.2
135.04491	0.4
137.02441	6.7
137.99593	0.7
138.03230	11.0
142.02689	0.6
151.03989	0.6
152.01123	1.0
166.02699	0.8
175.31854	0.4
179.03545	0.5
180.04312	0.4
195.17432	0.6
237.22154	0.5
251.23621	0.6
261.22318	0.4
279.15952	1.2
279.19568	1.0
279.23026	0.4
288.62744	0.4
289.21573	0.8
293.09451	0.5
306.22049	1.5
307.19113	16.2
307.22708	100.0
308.19348	1.1
308.23062	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	307.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59235	2.3
69.90519	0.5
76.68932	0.6
78.97337	0.6
84.41064	0.6
94.51222	0.8
96.95990	0.7
98.21851	1.1
123.04567	1.1
132.38158	0.7
151.04004	9.2
152.04733	1.1
153.56044	0.5
165.05562	6.4
166.06339	10.9
179.07111	1.0
179.18060	0.9
195.17465	2.9
251.16554	1.6
263.23834	0.8
279.16019	1.7
286.35312	0.7
307.15918	3.0
307.22763	100.0
308.23068	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	307.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94435	0.2
55.28082	0.3
59.01373	0.5
61.98823	0.4
67.23566	0.3
71.45390	0.3
79.05546	0.4
81.03452	35.3
82.03806	0.5
83.01382	0.6
96.81865	0.3
109.02960	0.4
123.04521	100.0
124.04848	2.9
125.02505	0.3
137.99586	0.3
138.83253	0.3
141.15404	0.3
153.01915	0.8
184.57941	0.3
265.14410	3.9
266.12457	0.6
266.15201	9.1
291.09222	0.6
307.15341	0.6
307.19107	2.2
307.22714	19.1
308.19720	0.4
308.22876	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	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01370	0.9
61.79389	0.6
61.98827	1.1
62.59309	0.5
69.30952	0.6
69.31264	3.5
81.03443	3.3
85.06572	0.8
97.06577	0.8
122.03735	1.5
124.01705	0.8
135.04518	0.7
137.99579	6.0
139.76248	0.6
155.84669	0.5
156.20724	0.8
171.88945	0.5
195.17519	6.3
249.14963	0.7
251.16566	6.4
263.16537	1.0
265.21729	2.4
278.17654	2.5
279.15970	17.4
279.19080	0.9
280.16318	1.5
305.21271	3.5
307.15649	6.1
307.22760	100.0
308.23132	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	308.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.5
60.01709	1.0
66.63811	0.4
69.77930	0.6
69.78254	0.8
71.01375	5.9
72.00909	0.5
85.02955	0.6
88.04040	25.8
89.02451	1.4
89.04417	0.4
90.02753	0.6
101.02454	1.5
109.02966	0.8
113.02441	0.4
114.01982	4.7
114.02728	0.7
115.00375	11.6
119.01739	0.5
119.03509	0.7
128.03539	0.6
128.07965	0.5
132.03027	100.0
133.03349	1.1
134.03738	10.6
135.04536	3.3
143.04657	0.7
144.49609	0.4
146.04619	0.7
146.09108	0.4
149.06064	3.8
160.01608	2.1
161.02386	0.5
175.03984	1.4
188.06956	0.4
192.06502	0.4
193.05019	3.4
204.06642	0.9
220.11029	0.6
232.06250	0.6
246.07730	0.7
264.08801	1.2
276.05231	0.6
289.92953	0.4
290.06662	0.5
308.07758	9.7
308.14444	7.5
332.72610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	1.6
59.01371	5.1
66.74276	1.1
70.19579	1.3
70.19878	1.8
71.01389	16.5
74.02473	4.7
84.04535	2.0
86.02475	1.8
87.05639	1.5
88.04021	2.0
99.05627	3.5
101.02426	3.0
108.02151	2.6
109.02930	3.0
114.01968	36.5
115.00374	35.2
117.03421	1.5
123.04512	6.0
128.03535	10.2
131.61989	1.2
132.03015	17.4
134.03741	77.5
135.04071	1.6
143.04611	14.8
144.04996	1.6
145.01341	1.3
145.05074	2.5
146.04582	2.0
149.06076	56.9
150.06419	2.8
153.01953	1.7
158.19356	1.2
160.01723	2.4
160.03996	1.3
161.02412	3.9
162.00308	2.6
162.03256	6.0
163.02448	1.9
163.03764	1.3
173.02513	1.4
175.02605	2.3
175.03993	8.0
176.07181	2.5
177.04263	1.5
177.05606	4.7
177.07957	3.0
179.04613	2.5
187.06366	3.4
190.02744	2.1
192.00621	3.0
192.06648	32.7
193.05063	37.4
204.06787	1.9
205.01440	1.7
206.02223	3.1
207.03011	1.5
210.08887	2.0
212.09494	1.6
220.09727	2.6
234.01701	5.2
246.07675	12.9
249.04042	3.1
254.07823	4.5
256.08322	1.8
259.80756	1.3
264.08762	12.4
272.08923	4.9
274.09222	2.0
290.06766	1.3
308.07742	100.0
309.05624	2.3
309.08508	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	308.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	3.8
66.23021	1.6
69.39396	7.7
69.39777	3.5
77.31374	1.7
79.95740	7.5
96.96007	80.6
98.22645	3.3
116.92892	2.2
122.97605	2.7
137.02452	3.2
148.26488	1.8
152.08411	2.7
168.91414	2.2
209.15405	3.8
250.15721	26.7
265.18054	17.4
265.25223	3.0
280.20029	2.2
308.19418	4.7
309.17368	100.0
311.51318	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	309.0066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25697	0.4
59.01385	2.8
61.98822	5.4
68.33156	0.4
69.41910	1.3
69.42317	0.8
72.07562	0.4
74.73188	0.4
78.95905	8.9
96.96957	16.6
122.93081	2.0
123.00526	3.9
124.98434	45.3
125.98537	2.1
132.99045	0.5
136.93979	1.0
136.96765	1.8
138.93681	0.7
138.96486	1.2
158.92499	0.6
164.96346	3.9
166.92044	13.7
166.96294	3.0
166.99477	100.0
167.99615	5.6
176.93604	0.9
176.98094	4.9
180.94751	0.8
180.97540	0.5
191.79675	0.4
211.00157	3.4
280.95227	0.5
308.94171	1.0
308.97635	2.1
309.00778	0.9
309.93713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86901	1.0
59.01377	49.9
59.57441	1.1
68.04176	1.1
69.66714	2.3
71.01383	19.4
72.99301	2.0
73.02942	37.8
74.97980	0.8
82.31222	1.0
83.01389	1.3
85.02958	5.0
85.65839	0.8
87.00891	1.1
89.01923	1.8
89.02440	20.1
89.02988	1.0
95.01382	1.8
96.96953	1.1
99.00872	6.1
101.02449	14.7
103.00381	1.4
113.02468	7.8
114.05614	2.8
116.29005	0.8
117.01939	100.0
118.02351	1.8
119.03493	8.7
129.05577	6.8
130.05112	6.0
147.06638	4.8
161.04588	1.8
179.05670	2.1
199.19095	1.0
202.41776	1.0
202.43584	1.1
204.20155	0.9
309.11887	59.3
310.12219	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	309.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51042	1.6
59.01372	14.9
69.34935	8.8
71.01390	10.7
73.02939	1.9
87.00871	11.0
87.05466	1.8
96.96022	12.3
115.00370	47.4
117.01929	3.8
117.33358	1.9
119.05025	3.5
119.15192	1.9
133.01407	3.7
134.03717	5.1
151.07651	9.9
155.07182	3.2
163.03975	5.3
163.06096	4.9
167.07045	2.0
174.48529	1.8
175.02478	100.0
193.05055	4.3
201.98857	2.0
211.09770	4.3
213.07686	9.7
249.03786	2.0
273.09747	5.8
294.03809	2.5
309.06805	8.1
310.10803	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01847	1.3
57.03455	1.3
59.01376	71.7
61.42079	0.9
69.82058	2.8
71.01376	27.3
71.05010	1.4
72.99310	1.9
73.02922	2.5
83.01368	1.9
83.05044	1.1
85.02959	7.9
89.02438	30.8
95.01378	2.4
98.41284	0.9
99.04504	1.4
101.02438	20.4
111.04500	1.5
112.11707	1.1
113.02445	12.1
117.01946	1.5
119.03493	14.1
129.05579	14.3
143.03482	1.1
147.03252	7.1
147.06595	4.7
148.04033	5.3
148.06271	2.8
161.04562	2.2
179.05620	1.8
309.11893	100.0
310.12262	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	309.1341
Annotation	Fusarentin 6,7-Dimethylether
Peak:m/z	Relative Intensity
59.01366	2.7
60.06533	1.0
69.40472	2.0
69.40868	3.2
77.09483	0.9
78.01109	6.3
79.80703	0.9
92.92796	1.4
95.01364	2.1
96.02169	9.2
111.00924	1.6
123.00858	5.2
124.01658	20.8
125.02480	1.2
139.00336	1.1
151.03998	1.7
151.07610	1.3
152.01157	17.8
152.08426	3.3
165.01962	1.9
166.02707	5.5
167.14360	1.8
184.00157	2.6
191.14400	53.4
192.14742	3.5
209.15500	4.3
237.14949	14.8
242.16098	1.0
247.13496	1.4
263.12857	12.4
265.14432	100.0
266.14807	5.6
291.12369	46.5
292.12631	3.4
309.13474	76.7
309.17047	11.5
309.20795	5.7
310.10681	1.5
310.13791	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	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24099	0.3
59.01377	100.0
60.01725	0.7
68.53469	0.3
69.18499	1.9
135.11758	0.3
150.06885	1.0
161.13350	8.7
162.13643	0.4
164.99767	0.3
205.12320	29.3
206.12714	1.4
223.13350	1.8
249.11340	2.3
265.14386	0.4
309.13489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79673	1.1
59.01379	100.0
65.76656	0.9
67.85477	1.1
68.53624	1.2
69.31659	3.9
69.32049	2.3
83.05038	1.9
98.21870	2.4
106.27248	1.1
135.38150	1.0
146.22282	1.0
161.13382	7.7
164.43333	1.2
205.12314	36.2
206.12686	1.5
206.32138	1.1
223.13539	1.8
249.11258	3.7
263.16528	1.4
272.53937	1.1
282.17252	1.2
291.16400	1.4
292.72296	1.2
309.13571	2.1
309.17105	3.6
310.10718	1.9
310.20288	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	309.1701
Annotation	3-O-Ethyllactarolide B
Peak:m/z	Relative Intensity
55.01879	0.8
59.01369	3.9
59.65823	0.4
60.78208	0.5
65.00336	0.5
65.97677	0.4
68.99818	0.6
69.03439	1.1
69.51372	1.9
69.57172	0.4
71.01371	1.5
72.99306	0.6
73.02929	1.3
78.01099	2.1
78.04110	0.4
79.95720	0.8
81.90394	0.4
83.01369	2.1
96.02229	0.4
96.96009	6.6
96.99310	0.8
99.00870	7.5
108.02197	0.5
111.00880	1.9
111.14890	0.4
122.03770	1.5
123.00893	3.1
124.01667	4.1
124.98787	1.6
125.99577	7.4
127.00369	68.5
128.00703	0.9
136.01624	0.8
139.00363	2.8
140.01152	1.9
150.03246	1.4
168.00603	2.0
178.02686	0.7
181.16052	1.2
182.02301	0.6
183.17564	1.9
193.15962	0.5
195.17517	2.8
197.19154	2.4
199.17061	0.8
200.64322	0.4
207.17581	0.9
209.15454	4.0
209.19063	2.4
211.17116	0.5
213.16542	0.5
213.18597	9.9
219.17517	5.7
223.17184	0.6
225.18631	3.5
225.22183	0.4
237.18575	5.0
241.15623	0.8
241.18086	14.1
242.18489	0.7
253.18155	1.2
263.16510	1.8
265.18057	16.4
266.18436	0.8
281.17554	27.4
282.17883	1.4
291.15994	7.3
291.19022	0.5
291.23361	1.2
292.16415	0.5
309.17166	100.0
309.20743	20.6
310.17484	6.8
310.21002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1707
Annotation	Cytosporin C
Peak:m/z	Relative Intensity
53.58135	0.8
55.01880	1.8
58.81633	0.7
59.01379	5.5
65.00336	1.0
69.03448	1.3
69.95258	1.1
69.95612	1.7
71.01375	1.8
71.04994	1.0
73.02953	1.9
83.01385	2.7
97.02937	1.8
98.03722	0.9
99.00893	4.0
119.08663	2.3
121.10236	2.3
124.98798	2.0
125.69225	0.7
125.99558	6.4
127.00375	100.0
127.11327	0.8
128.00700	0.9
135.11832	1.6
137.09727	2.8
140.01108	0.9
140.24525	1.0
152.08464	1.6
155.10847	0.9
171.10260	10.0
181.15984	1.8
183.17474	1.7
185.11826	2.2
187.09727	2.3
195.17517	1.0
197.19075	1.5
209.15483	3.3
211.16966	1.2
213.18584	13.7
213.20473	1.1
214.19028	1.3
223.16902	1.1
225.18600	3.3
237.18620	4.6
238.19327	0.9
241.18102	20.4
247.20729	1.6
273.18491	1.4
281.17599	17.3
282.17996	1.0
291.19623	16.4
309.17075	76.1
309.20731	29.0
310.17426	4.0
310.20969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	7.9
69.35002	34.3
75.42527	6.3
95.01369	11.3
98.22739	10.7
99.00895	100.0
137.06021	8.0
139.00360	7.2
152.08347	17.3
152.91762	9.7
167.10747	15.7
179.14297	7.4
206.04141	8.0
208.10951	9.9
209.15479	50.5
211.23543	6.5
221.19191	11.6
265.18024	12.2
291.09015	13.2
296.03189	8.5
309.16968	35.3
309.20386	15.4
330.42285	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84171	1.9
57.03430	4.2
59.01368	6.7
69.03474	2.6
69.22448	10.8
75.84433	1.9
80.02665	11.1
81.28284	1.8
89.08506	2.1
96.02166	3.3
98.30170	2.1
123.08153	16.9
124.01665	6.5
124.98540	2.3
125.09731	21.8
127.11290	7.3
132.21762	1.8
137.09735	11.1
139.11298	7.2
141.12900	3.1
141.98645	2.2
151.07579	2.0
152.01176	3.8
152.08389	3.3
153.09265	2.7
155.10773	45.7
158.51161	2.0
165.12935	2.3
167.10779	8.9
171.10266	100.0
172.10562	4.0
181.46800	2.8
185.11823	93.1
186.12120	3.6
191.14433	14.1
192.40849	1.9
209.15508	4.5
211.09744	2.6
212.10617	6.0
237.14925	4.9
247.20670	3.9
253.21521	2.9
263.13086	3.0
263.20163	8.2
265.14435	24.8
265.21713	6.3
266.14676	3.3
273.18707	2.5
281.16718	3.3
281.21188	16.0
291.12363	13.5
291.19638	38.2
309.13797	16.6
309.16989	17.8
309.20703	59.4
310.10724	3.0
310.17035	2.7
310.20740	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	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.61353	1.0
55.43255	1.0
58.00587	1.9
59.01373	2.9
69.03446	2.7
71.98811	0.9
73.02944	1.4
79.80918	0.9
82.31423	0.8
84.04902	0.9
93.07109	1.2
95.05054	1.2
97.06583	0.9
98.22591	2.5
99.00881	1.1
109.06627	1.0
111.08163	29.1
119.08678	3.2
125.09696	1.0
125.99609	2.1
127.00378	39.0
127.07603	2.0
137.09734	4.6
151.11301	1.5
153.12852	1.4
167.10768	1.5
169.12364	8.0
171.10269	14.6
179.10825	1.6
181.12309	1.8
183.13869	1.2
185.11865	2.9
197.11827	100.0
198.12180	4.8
199.13350	4.4
211.13374	10.3
213.18570	7.2
225.18565	1.6
227.12946	2.3
241.18092	8.1
247.20511	1.7
263.20096	8.5
265.18155	2.3
273.18600	3.0
281.17480	5.0
291.19644	24.8
292.19904	1.4
309.17035	28.8
309.20709	51.7
310.17700	1.5
310.21078	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.56879	0.8
50.97744	0.7
56.06735	0.8
57.03432	0.9
64.52412	0.7
69.69060	2.9
74.01880	0.8
97.02930	0.8
97.06564	1.9
113.09715	2.8
115.07655	1.7
125.06122	1.1
126.06806	1.6
139.11287	1.1
141.09225	1.9
151.11378	1.1
164.48482	0.9
165.12854	3.7
167.10818	0.8
167.14442	2.0
181.12260	4.1
182.25156	0.7
183.13904	2.3
193.12347	1.8
195.13843	1.9
211.13429	4.8
221.15489	2.2
237.22311	0.9
240.13676	3.3
241.14159	0.7
247.20659	3.9
273.18600	2.7
281.21298	1.1
291.19650	39.7
292.19995	3.5
309.20694	100.0
310.21021	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74375	4.4
57.15168	4.4
59.01378	10.7
61.98803	8.3
65.15220	5.0
66.71320	4.3
69.46371	10.4
69.46754	15.6
80.02689	12.0
82.95450	4.6
83.05020	22.5
84.02164	8.7
92.92785	4.9
97.06574	7.5
98.22611	9.2
99.00902	6.7
99.08186	6.2
119.94798	5.0
127.00391	64.0
137.09717	50.3
139.11288	12.3
146.98167	4.5
151.03989	5.9
151.07570	8.3
152.08423	17.5
155.10768	46.8
171.10254	53.4
193.12315	19.8
195.17513	6.9
197.18307	5.8
206.43457	5.4
209.15443	21.7
211.13408	8.0
213.18591	9.1
237.14865	6.7
241.18124	13.7
247.20731	5.2
249.59459	5.2
253.17024	7.6
265.18054	9.9
265.21744	5.1
281.16568	35.0
291.19629	60.9
309.16983	100.0
309.20673	69.9
310.10776	8.2
310.17221	13.2
310.20825	9.1
321.62982	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	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03434	1.1
59.80613	1.1
63.20997	1.2
67.01897	2.0
69.75652	1.8
93.07129	1.7
95.32447	1.4
96.89665	1.1
97.06606	1.4
98.21925	2.6
99.30875	1.1
111.08183	1.9
121.10231	12.4
125.09714	7.6
137.09740	6.6
137.10635	1.2
146.24294	1.1
167.14330	1.8
171.10271	13.3
185.11855	11.0
197.11765	2.7
211.13393	57.7
212.13687	3.0
214.69577	1.4
273.18686	1.6
285.75790	1.4
291.19653	100.0
292.20081	10.5
309.20612	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.53452	1.2
57.03432	2.3
58.00599	1.4
59.01374	6.1
60.66607	1.2
69.03448	5.0
69.65850	2.2
71.01395	1.2
80.72776	1.3
87.81597	1.3
92.98658	1.4
97.06572	1.7
103.72535	1.3
107.08690	1.8
108.05813	1.9
111.08176	2.0
119.08657	24.2
121.10269	1.9
125.09724	7.4
125.99603	1.4
127.00368	40.8
127.11276	2.9
135.08223	1.8
137.09717	34.3
139.11272	2.5
140.01218	1.4
151.11273	1.2
153.09221	1.9
155.10776	3.3
155.53877	1.4
167.10703	2.9
171.10266	100.0
171.67923	1.4
172.10623	1.8
183.10260	5.8
185.11813	22.6
186.62727	1.2
195.10294	2.8
197.11803	5.3
201.11353	8.7
211.13268	2.0
213.11293	6.7
213.18622	4.8
225.18571	1.6
229.19600	4.4
241.18054	8.5
260.43259	1.2
273.18643	12.2
281.17587	7.6
291.19681	30.4
292.20062	1.8
309.17044	23.6
309.20676	72.3
310.17493	2.6
310.20984	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01361	2.1
67.01880	1.4
69.03431	5.3
70.90005	1.6
71.24944	1.0
79.64465	1.2
81.74123	1.3
83.05022	2.9
85.02937	2.8
91.06117	1.3
97.02950	41.4
108.05733	1.3
111.08130	2.1
113.76404	1.2
119.08643	8.2
125.09671	2.8
127.00347	5.8
127.11236	1.3
137.09715	20.3
151.03973	3.8
151.07594	1.2
152.08429	10.4
167.10794	1.4
171.10260	51.6
172.10527	1.4
183.10258	1.8
185.11778	8.1
195.13875	2.2
197.11816	2.3
199.64679	1.2
209.15453	9.6
211.13315	2.9
213.11206	2.1
213.18613	1.9
221.11816	3.8
239.12842	2.5
247.20616	2.9
252.10042	1.4
265.18011	2.2
273.18536	7.7
281.17459	1.5
291.16400	2.5
291.19638	34.8
292.19958	3.3
293.75894	1.4
309.17032	19.2
309.20612	100.0
310.17670	1.7
310.20923	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	309.2069
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
59.01394	4.2
63.82615	2.0
69.03463	4.1
75.75622	1.7
78.87290	2.0
83.05032	2.1
98.86121	2.1
105.95275	2.0
119.08661	16.5
125.09721	8.6
127.00375	35.4
127.11304	3.5
137.09715	32.4
155.10728	6.3
167.10753	4.8
171.10268	100.0
172.10597	3.3
180.01688	1.9
183.10281	4.2
185.11829	20.4
197.11737	2.5
201.11336	4.2
209.15498	2.5
213.11342	8.8
213.18567	2.8
229.19463	3.2
241.18024	6.0
273.18558	9.1
281.17517	5.3
291.19666	31.7
309.17001	26.3
309.20670	40.6
310.20828	4.2
327.04517	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03449	4.5
59.01379	5.6
69.03484	4.1
69.04081	1.8
70.88166	3.9
99.08147	4.0
103.01575	1.8
119.08629	17.2
125.09747	12.9
127.11301	4.1
132.46495	2.0
135.08136	2.0
137.09738	27.6
155.10793	8.1
157.00853	1.8
167.10725	2.8
171.10268	100.0
172.10608	3.6
183.10239	6.0
185.11827	34.4
195.10289	2.5
201.11322	8.1
208.08681	2.2
209.11853	6.8
213.11320	6.9
229.19614	3.3
233.76866	1.7
273.18457	8.8
291.19684	30.5
292.20160	2.9
309.17081	13.5
309.20724	33.3
310.10678	3.3
310.20908	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	309.207
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
55.01871	1.2
57.03420	1.2
59.01368	3.5
62.90393	0.9
66.01904	0.8
70.30351	1.2
71.01355	1.1
72.70807	0.8
79.53053	0.8
83.05009	1.2
97.06566	1.1
99.00855	1.3
109.06567	1.7
111.08157	35.1
124.98837	1.4
125.99586	2.6
127.00375	37.1
127.01312	1.8
127.07647	1.9
128.00690	0.9
139.11191	0.9
140.01099	0.9
151.11226	0.9
152.08411	1.2
153.12827	1.9
169.12325	7.6
171.10309	2.3
181.12314	2.4
183.13928	1.4
189.94243	0.9
197.11823	100.0
198.12230	4.8
199.13416	4.8
209.15445	2.8
211.13385	9.7
213.18588	5.9
225.18518	2.0
227.12880	2.8
237.18570	2.2
241.18045	8.0
251.16608	1.2
263.20087	6.1
265.18030	3.5
273.18503	1.9
281.17618	5.9
291.19666	17.6
292.19937	1.5
309.17020	30.1
309.20673	38.8
310.17484	1.8
310.21115	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31438	9.1
57.03450	17.7
58.60540	9.8
62.50785	9.3
69.67808	19.2
69.68194	19.4
71.05006	17.3
77.92497	9.4
91.91605	9.9
97.06577	17.3
98.22665	8.7
109.58074	9.8
119.08634	20.3
121.10260	55.9
125.09734	32.3
137.09706	16.2
152.08472	11.5
171.10240	43.7
185.11804	59.8
197.11806	24.1
211.13351	18.1
247.20494	10.9
273.18396	15.0
275.20007	14.9
291.19611	100.0
309.17270	20.9
309.20682	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01360	1.0
65.36736	0.9
69.03468	2.9
69.18867	5.4
78.01115	1.3
79.95731	1.9
83.05044	1.8
96.96014	18.2
99.00861	1.2
108.02158	1.8
115.33160	0.9
122.97617	1.0
123.00917	1.9
131.10765	0.9
136.01695	1.7
139.00398	2.1
140.01155	1.1
144.97305	1.0
151.07742	1.6
152.08434	5.0
165.34735	0.9
207.21106	2.4
209.15495	3.5
223.20647	3.5
225.22179	4.8
235.20673	3.2
237.22240	4.2
251.20490	1.1
253.21773	5.2
265.21725	16.1
266.22006	1.3
281.21146	2.4
291.19653	3.6
309.17200	38.2
309.20703	100.0
310.17621	3.1
310.21063	7.5
312.81375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
52.48459	0.6
56.30708	0.5
59.01356	0.9
61.72980	0.6
61.98831	0.9
69.65190	1.9
69.65524	0.7
79.95712	0.9
92.92801	1.0
96.96000	6.0
96.99313	2.1
99.00887	2.6
99.92596	0.7
116.92851	0.8
119.94675	0.6
123.00865	0.5
124.01659	0.8
124.98809	2.4
125.99592	11.3
127.00368	9.8
151.07684	0.9
152.08398	2.0
195.17645	0.7
209.15475	2.4
209.19243	0.8
213.18585	1.4
219.17503	1.1
223.20663	1.0
225.18575	0.8
225.22157	1.3
237.18611	1.3
241.18126	2.0
252.10056	0.8
253.21704	1.2
256.88162	0.6
265.18094	5.0
265.21603	1.4
277.18045	1.5
281.17566	5.3
291.16248	1.1
291.19965	0.7
291.23218	1.6
309.17120	27.7
309.20688	100.0
310.10672	1.2
310.17352	2.4
310.21024	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36946	2.1
59.01375	3.4
61.98816	4.0
67.01866	2.6
70.84193	2.6
71.05019	3.8
80.02676	12.5
81.03445	3.9
83.05028	26.9
84.02134	11.3
92.92779	3.4
97.06586	5.3
99.08141	6.0
109.06585	2.6
115.07618	4.9
118.44579	2.2
123.04512	3.0
123.08204	2.5
125.09660	5.7
127.11280	6.1
137.09720	46.3
139.11247	9.0
148.05295	2.5
151.07664	2.8
151.11243	3.7
152.08405	8.6
153.09184	8.8
155.09541	3.6
155.10773	55.0
167.10728	6.0
169.12273	2.7
171.10272	49.4
193.12317	29.0
209.11783	5.2
209.15411	8.4
211.13377	4.8
221.15515	2.8
247.20580	8.7
263.20154	4.0
265.21515	4.4
291.19662	99.1
292.19894	9.2
309.16992	21.7
309.20602	100.0
310.10828	2.5
310.20822	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	9.4
61.98822	9.6
71.01392	7.1
71.46285	7.0
80.02673	8.6
81.63541	8.3
81.69731	7.0
92.92799	18.0
95.17423	6.9
99.00871	14.3
113.09734	9.5
116.92846	8.7
122.11485	8.4
123.00849	12.6
123.08154	18.0
124.01647	15.6
125.09711	20.5
127.00333	11.2
151.03961	10.3
152.08415	25.8
155.10829	48.5
165.12794	14.6
171.10268	92.5
181.12282	14.1
185.11816	96.9
191.10815	11.8
191.14320	10.8
209.11838	34.6
209.15404	30.1
212.10544	7.0
247.20630	9.1
251.12787	8.5
263.20108	7.4
265.14551	20.4
265.18073	54.6
265.21725	10.4
281.21045	13.8
291.12372	10.7
291.19736	39.1
309.13718	14.1
309.17023	63.7
309.20657	100.0
310.10861	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	309.2072
Annotation	13(S)-HpOTrE
Peak:m/z	Relative Intensity
51.31394	0.1
55.01874	0.2
67.01900	0.1
69.03454	0.2
78.01103	6.3
79.01465	0.1
79.95723	0.3
81.03454	0.1
84.02180	0.2
84.99317	0.3
96.96005	3.7
96.99315	1.3
98.00040	0.1
99.00907	0.2
108.02186	0.1
109.02948	0.2
111.00875	0.5
112.98817	0.2
123.00893	0.3
124.59563	0.1
124.98826	1.2
125.99585	7.5
127.00417	0.1
139.00368	3.5
140.00230	0.1
140.01186	0.8
140.97328	0.1
140.98250	0.6
150.03261	0.1
151.07680	0.2
152.08456	0.3
154.99832	0.2
195.17502	0.1
207.21091	0.2
209.15462	0.5
221.19106	0.2
223.20689	0.9
225.22232	1.4
235.20657	0.2
237.22139	0.2
247.20650	11.2
248.20969	0.7
253.21652	0.5
265.18124	0.6
265.21704	0.4
281.20892	0.2
291.19711	0.3
309.17523	5.9
309.20673	100.0
310.10959	0.2
310.18237	0.3
310.21030	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
61.98821	4.8
71.43459	1.9
82.36019	1.7
87.90335	1.9
92.92799	9.1
96.96011	28.4
99.92584	2.8
116.92873	2.8
125.99564	5.9
127.00404	3.2
135.91940	1.9
136.94269	1.8
140.01202	2.4
151.03987	2.3
151.07626	3.2
152.08443	7.4
190.27461	2.1
209.15483	10.7
223.20641	1.9
231.76161	1.9
251.12842	5.1
253.21733	8.0
265.18112	5.4
265.21689	11.6
309.17224	51.6
309.20718	100.0
310.10730	3.0
310.17651	4.4
310.21048	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01388	1.6
69.03444	1.6
69.77476	1.9
69.77802	2.5
71.05016	1.9
72.33675	1.1
81.03451	2.5
83.01384	9.7
83.05037	4.6
91.65792	1.1
97.06596	5.6
98.03712	1.3
110.03750	1.5
111.08147	1.3
122.21143	1.1
123.04514	2.8
123.08168	3.5
125.06046	1.5
125.09733	12.5
135.08260	1.4
137.09773	2.2
139.11284	11.9
155.10738	1.4
163.11287	7.5
165.09206	1.3
165.12811	15.1
167.10651	6.9
171.10284	2.9
177.12689	1.2
181.12357	3.6
181.19702	1.1
183.13928	2.2
185.11812	2.3
191.10733	2.5
193.16000	3.5
207.10338	1.3
209.11821	63.4
210.12152	3.3
211.13339	2.1
247.20660	12.7
265.21710	4.4
272.77011	1.1
273.18686	2.8
281.21182	2.7
291.19641	100.0
292.20145	6.5
301.82645	1.2
309.17285	1.2
309.20700	37.7
310.20996	2.9
315.16583	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03439	2.5
59.01368	10.9
69.03445	2.4
71.05022	16.3
90.80115	2.2
97.06574	7.4
107.05083	3.2
111.08150	3.2
119.08601	3.2
121.10224	11.7
125.09750	9.9
137.09744	16.8
141.12852	1.8
147.08205	1.8
171.10266	42.9
172.10591	1.9
185.11830	15.3
197.11864	6.0
202.31400	1.8
211.13278	2.9
219.13835	3.8
235.16956	2.3
237.14839	2.5
247.20660	2.6
251.14015	3.4
251.16519	44.0
252.16997	3.3
265.07581	5.1
267.09055	4.0
273.18802	3.6
291.19659	98.6
292.19849	4.5
309.10236	29.0
309.13400	2.9
309.17450	5.2
309.20673	100.0
310.10825	10.4
310.16214	1.8
310.20969	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.55745	1.3
54.87284	1.4
55.84900	1.3
57.03422	2.0
59.01368	5.8
64.19558	1.2
69.03446	1.4
69.17567	8.4
71.05016	11.9
96.95976	1.7
97.06583	5.9
109.01693	4.6
119.08611	1.9
121.10223	8.9
123.08109	1.3
125.09713	5.9
126.41151	1.3
137.09702	17.6
137.99591	2.5
138.01968	18.6
141.12883	1.9
151.02690	1.6
151.14847	2.2
165.12790	2.7
167.14384	3.9
171.10252	32.3
176.14436	3.8
178.15970	3.4
181.12332	2.3
183.10263	2.6
185.11819	10.9
189.12833	6.3
197.11853	3.0
211.13353	2.4
219.13866	1.5
221.11798	3.1
222.14966	31.4
223.13435	3.5
230.27263	1.4
235.16925	2.4
237.15131	1.8
238.18127	3.7
249.11339	3.4
250.14424	9.8
251.16524	30.2
268.15594	3.1
273.18594	2.0
281.13947	3.8
291.19644	76.3
292.19916	5.6
309.10266	3.1
309.13391	8.1
309.17462	3.3
309.20688	72.9
310.10760	5.1
310.16602	100.0
310.20746	6.1
329.50235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	57.9
60.46858	1.2
69.73872	4.7
71.01379	27.5
73.02956	2.3
73.38213	1.4
75.00865	1.9
83.01391	2.1
84.95150	1.2
85.02952	6.6
87.00872	4.0
89.02441	26.6
92.05062	6.2
95.01373	2.8
98.21899	1.8
101.02444	17.8
113.02441	11.4
116.05071	1.6
118.03025	2.2
119.03511	10.2
120.04552	8.2
128.05045	2.5
131.03616	4.6
132.04561	13.6
134.06137	3.4
134.10033	1.3
143.03439	1.9
144.04565	7.5
146.01387	2.1
146.02478	27.5
146.03639	1.7
146.06096	3.5
147.03261	86.6
148.04079	15.5
158.06064	2.3
159.03186	1.8
160.04037	78.2
161.04443	3.8
172.04025	5.1
174.05585	9.9
178.05019	1.7
179.02223	3.5
179.05531	2.7
185.25313	1.4
186.05576	3.6
190.05154	1.7
196.03725	1.2
202.05113	28.1
203.05548	1.6
204.06700	1.9
214.05118	8.9
232.06166	3.9
310.09311	100.0
311.09732	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	310.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92613	1.3
59.01378	56.0
62.57114	1.3
71.01376	28.7
72.34907	1.5
73.02936	4.6
75.00861	2.8
77.69511	1.4
83.01388	2.0
85.02951	8.0
87.00856	3.7
89.01923	2.3
89.02438	26.7
92.05054	7.2
95.01373	2.9
101.02438	17.3
113.02415	9.5
116.05035	2.7
118.02959	3.9
119.03472	11.7
120.04527	4.5
128.05035	1.6
131.03674	6.7
132.04543	13.2
134.06094	3.1
143.03445	1.5
144.04526	6.3
146.02477	27.8
146.06090	3.3
147.03253	83.6
148.04071	15.5
158.06076	2.1
160.04031	71.9
161.04420	4.8
162.05540	2.5
168.04385	1.4
168.75938	1.2
172.04001	5.3
174.05597	12.2
179.02190	4.4
179.05574	3.7
186.05577	5.0
186.87834	1.2
196.03970	1.8
202.05070	25.2
206.01773	1.9
214.05107	7.3
232.06084	4.4
233.01184	1.3
251.11263	1.3
310.09265	100.0
311.09616	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	310.1661
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
51.41447	0.7
59.01372	1.9
63.05771	0.7
69.21791	3.5
88.44534	0.7
92.65085	0.7
98.21874	1.4
103.35579	0.7
109.01707	3.5
110.02470	1.1
111.00876	0.8
137.01225	0.7
138.01971	23.8
138.10042	1.0
151.02766	1.7
151.14922	2.5
153.01915	1.0
167.14432	4.2
171.10265	2.2
172.10680	1.0
176.14412	4.7
178.15964	1.7
181.01408	1.2
220.97299	0.8
222.14972	32.9
223.13428	2.7
223.15344	1.4
236.08124	0.9
238.18147	3.2
250.14481	9.6
251.15163	2.0
252.16841	2.2
267.14758	1.6
268.15457	1.6
280.95712	0.8
292.20078	5.2
310.10760	4.8
310.16608	100.0
310.20813	8.0
311.17038	5.9
311.22180	2.3
320.91449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35571	0.4
52.43873	0.3
55.01864	0.9
55.17615	0.4
59.01355	1.2
69.03433	0.3
69.48599	0.9
69.49000	0.8
71.01394	0.3
75.68714	0.4
79.05540	0.7
81.03465	0.4
83.01380	0.4
91.05534	2.1
93.03484	0.4
95.05005	0.4
102.04756	0.5
103.05547	9.1
104.05901	0.7
105.03446	1.3
105.07102	3.7
107.05057	0.5
109.02991	0.4
109.53429	0.4
115.05510	0.4
117.07099	1.3
117.92672	0.3
119.05039	1.0
120.85478	0.4
121.02943	0.4
121.06576	1.0
122.03755	0.7
123.04515	3.9
130.04211	1.9
131.05031	0.8
132.02155	0.4
133.02939	0.7
133.06613	3.4
135.04529	3.6
137.02422	1.0
137.06093	2.2
143.05049	0.6
145.06612	3.8
146.03729	2.7
147.04517	12.2
149.02437	1.6
149.04863	0.6
149.06065	10.5
150.06264	0.3
151.04034	0.6
157.06602	0.7
159.04495	2.6
160.05290	3.7
161.06067	7.9
162.03230	3.6
163.04004	5.5
165.05550	7.1
167.03462	1.2
174.03175	1.9
175.03992	3.4
176.01184	0.4
177.01918	1.3
177.05569	2.4
178.02608	0.4
188.04744	0.8
189.05562	10.9
190.02736	0.5
191.03493	100.0
192.03830	3.8
193.05045	23.7
194.05363	0.9
201.05737	0.6
203.03502	0.9
205.05054	4.6
209.04590	0.8
219.06638	0.8
221.04535	6.6
233.04541	26.4
234.04909	1.0
263.05484	0.5
275.05557	0.4
293.06744	1.2
302.16861	0.4
311.07724	24.3
312.08099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
56.02633	0.5
59.01357	0.7
68.67777	0.6
69.47208	1.3
69.47593	1.7
90.55490	0.6
91.05527	1.8
98.22574	0.8
102.04738	0.7
103.05528	8.0
105.03452	1.6
105.07077	2.8
107.05049	0.9
117.07143	1.5
119.05001	1.6
119.79826	0.6
121.06621	1.3
123.04532	4.5
130.04251	1.8
131.05064	1.0
133.06581	3.0
135.04498	2.8
137.06081	2.5
143.05046	1.0
144.05771	0.7
145.06602	3.4
146.03725	2.0
147.04535	11.0
149.06065	9.5
157.06572	0.9
159.04478	2.1
160.05304	2.5
161.06102	9.0
162.03217	3.4
163.03995	4.9
165.05551	6.7
167.03526	0.8
174.03165	2.1
175.04002	3.3
177.01927	1.5
177.05568	2.9
188.04851	0.7
189.05589	10.4
191.03496	100.0
192.03880	3.2
193.05052	26.1
203.03505	1.1
205.05037	5.2
209.04558	0.7
221.04550	7.7
231.06683	0.7
233.04544	29.6
234.04852	1.7
236.10385	0.7
293.06708	0.9
311.07733	27.8
312.08044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0982
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
55.01872	1.1
57.03442	1.1
58.00578	0.7
59.01378	70.0
69.03442	0.7
69.21767	0.7
69.40559	1.1
69.40927	1.1
71.01382	28.2
72.99292	1.2
73.02944	9.7
75.00859	1.7
78.95895	1.3
83.01403	1.9
85.02950	7.5
87.00874	7.3
89.02443	41.3
95.01383	2.3
96.96000	1.4
99.00854	1.1
100.85701	0.5
101.02441	23.5
103.03996	1.8
105.01949	0.9
108.73401	0.6
111.00880	6.9
113.02447	9.4
119.03512	13.1
126.98867	5.2
126.99769	0.8
127.00080	0.8
131.03493	6.1
143.03508	1.2
144.45639	0.8
149.04602	3.0
161.04543	2.0
179.05627	1.5
191.01973	7.5
206.95398	0.7
213.00204	1.3
224.96571	1.5
251.11348	1.3
275.33948	0.6
290.94327	0.8
311.09821	100.0
312.10104	3.8
312.21689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83247	1.1
54.70782	1.0
59.01377	100.0
70.25591	1.4
70.25934	2.1
71.01369	5.3
73.02927	1.6
77.92897	0.9
80.13411	0.9
85.02943	3.4
98.21925	1.5
101.02436	6.4
113.02458	1.3
151.10371	1.0
161.04575	3.3
166.02673	3.1
175.02411	2.5
269.10245	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.78469	0.7
56.21500	0.5
58.13907	0.5
59.01379	100.0
60.01701	0.8
61.33738	0.6
63.80724	0.6
69.15402	2.1
69.15803	1.4
71.01395	2.0
71.42766	0.5
73.02946	0.7
77.53899	0.6
80.48666	0.6
83.01352	0.6
85.02968	1.8
87.05329	0.5
101.02457	2.6
103.05542	1.0
113.02471	1.3
115.63988	0.6
115.78990	0.5
123.04540	0.9
145.06610	0.9
147.04533	2.2
149.06104	1.6
159.03102	0.7
160.05353	0.7
161.04623	1.4
161.06094	1.1
165.05611	1.2
165.95129	0.6
189.05638	1.7
191.03497	13.7
193.01480	0.8
193.05066	3.1
205.05061	0.6
221.04512	0.9
223.06172	0.8
233.04610	3.2
269.10410	2.3
291.68207	0.7
311.07855	4.5
311.11404	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05271	0.8
52.02445	0.8
55.52833	0.8
59.01377	100.0
69.91016	1.0
69.91350	1.7
71.01379	5.9
73.02947	3.0
83.01395	1.3
85.02974	3.1
87.00890	1.1
89.02444	2.1
101.02445	8.5
113.02463	2.7
159.03046	1.3
161.04527	8.1
164.69907	0.7
164.86551	0.7
192.00621	0.9
193.01439	1.5
205.01469	0.8
251.11336	22.0
251.13823	1.3
272.61667	0.8
279.34232	0.7
312.05182	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	311.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85548	0.6
67.01875	0.6
70.50543	0.8
78.01102	24.5
80.02689	1.2
83.05029	0.8
110.00056	1.0
111.00862	1.5
124.98811	0.6
129.45450	0.5
136.35484	0.5
137.99583	1.0
139.00378	1.0
151.14920	6.7
165.12852	3.5
167.14406	58.2
168.14775	3.2
179.14349	0.9
191.14406	100.0
192.14758	6.1
195.13857	0.8
211.13358	1.3
223.13388	33.8
224.13809	2.3
233.32237	0.5
251.12875	9.8
269.13943	9.9
279.12372	1.6
311.14984	95.5
312.15305	6.8
316.07629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.15
Annotation	Pestalotheol A
Peak:m/z	Relative Intensity
57.86768	0.4
61.01041	0.5
61.01358	0.5
62.59317	0.5
65.08309	0.5
67.01896	0.7
70.50214	0.9
75.86437	0.5
78.01104	24.3
78.01563	1.2
80.02673	0.6
83.05037	0.6
98.22005	0.8
110.00084	1.2
111.00877	1.5
124.98867	0.7
137.99565	1.3
139.00386	0.9
151.14940	6.0
165.12860	3.9
167.14420	59.4
168.14713	2.3
179.14435	1.3
180.50720	0.5
191.14421	100.0
192.14799	4.3
195.13866	0.7
219.75963	0.5
223.13391	35.4
224.13835	1.7
235.13626	0.7
251.12907	9.8
252.13275	0.8
269.13940	7.5
279.12418	1.9
286.54587	0.6
302.83899	0.6
311.14996	90.9
312.15353	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	311.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08154	0.6
59.01376	100.0
59.08241	0.5
60.01684	1.1
63.62539	0.6
69.12743	3.3
71.01387	0.8
98.22588	1.5
99.04517	0.8
155.05644	0.6
161.13455	1.0
165.12830	0.8
191.03557	2.6
207.13890	59.7
208.14200	3.1
211.27899	0.5
251.12941	6.7
269.14044	2.3
298.02283	0.6
311.15103	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	311.1863
Annotation	Methynolide
Peak:m/z	Relative Intensity
59.01375	0.8
60.46864	0.4
61.98841	0.5
67.01891	0.4
69.14584	2.4
71.01366	0.5
75.00874	0.5
77.89621	0.3
79.95763	0.5
80.02679	0.7
83.05037	0.5
111.00876	12.3
111.80171	0.3
113.24564	0.4
119.00610	0.4
119.05005	0.4
119.94716	0.4
123.00900	0.7
123.08374	0.3
124.01635	0.9
161.06223	0.4
165.29840	0.4
170.88399	0.4
179.17966	0.6
183.01204	15.3
184.01776	0.6
191.14374	0.4
193.15945	1.4
195.17528	13.0
196.17827	0.5
197.02737	0.9
202.01180	0.8
207.17561	0.8
225.18552	0.8
239.16522	0.9
251.16461	0.8
252.17383	0.5
255.19711	1.4
256.68030	0.4
265.18100	1.8
281.13940	4.0
283.19131	0.5
293.17575	5.4
296.16272	1.7
311.18921	100.0
312.19315	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36095	3.3
57.03439	13.5
59.01377	3.9
69.03454	4.6
69.55795	11.3
78.01125	3.3
80.02677	11.3
81.03459	9.6
83.01369	6.5
83.05036	13.6
84.02185	4.2
85.02942	19.7
85.66344	3.9
93.03461	3.8
94.18356	3.9
95.05023	3.4
96.99291	16.0
108.02132	21.7
111.00880	100.0
112.01664	13.3
112.98895	4.3
113.02450	22.7
122.03711	14.1
144.00589	6.0
149.09717	61.9
169.49712	4.3
179.18002	4.8
181.15953	15.4
183.01212	50.0
191.14424	10.7
193.15840	6.0
195.17520	44.7
196.17831	4.1
199.17055	19.9
207.17517	29.1
209.19002	3.8
220.21375	3.3
221.19017	11.3
223.17041	28.4
223.20628	6.2
235.17006	89.2
236.17447	4.4
237.18532	8.1
239.20123	33.3
247.44006	3.5
251.16324	6.0
252.17285	84.9
253.17744	9.4
267.19641	99.2
267.23160	13.8
268.20032	7.9
268.23550	3.5
279.15866	5.0
281.17575	29.9
283.19202	6.2
284.16248	9.4
311.16779	48.3
311.18832	64.2
311.25745	5.5
312.20300	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	311.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65005	1.0
54.82279	0.8
59.01380	3.2
67.01891	6.9
69.26488	5.0
78.01115	5.5
80.02664	1.1
98.03739	1.4
111.00881	100.0
112.01247	1.5
144.47543	1.1
151.14948	1.5
167.14403	10.3
183.01199	16.4
191.14423	25.5
195.17548	4.9
196.17821	2.3
203.69640	1.1
207.17566	7.1
211.99179	1.0
223.13390	5.5
223.20628	1.4
235.16945	2.4
239.20135	1.8
251.16563	4.1
251.20123	14.5
252.17294	93.7
253.17589	6.7
266.15302	1.9
267.18848	0.9
267.23221	2.3
269.13803	1.1
279.16205	1.3
279.19653	3.6
311.17130	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	311.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.1
61.98820	1.4
68.51508	0.6
69.27839	3.1
71.05015	5.6
79.95760	0.8
81.88443	0.6
81.88941	0.6
82.10397	0.6
92.92796	1.2
94.92509	1.1
96.97822	0.7
98.21905	1.3
113.34931	0.7
123.00877	9.9
123.79622	0.6
124.01664	16.5
137.02458	1.0
152.01132	1.2
156.00575	0.9
170.88411	1.1
183.01190	15.1
184.01881	0.7
195.17494	6.9
197.02719	4.0
198.03593	0.6
211.20647	28.1
212.20905	1.0
239.16461	0.7
239.20134	4.2
249.55327	0.8
265.18054	30.5
266.18344	1.8
267.19586	9.2
268.19797	0.8
289.31662	0.6
293.17566	100.0
294.17899	8.1
295.08649	1.2
311.16797	34.1
311.22470	1.2
312.17081	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	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
67.25128	0.2
68.88554	0.2
70.66691	0.3
128.29051	0.2
133.06577	2.2
149.09717	100.0
150.10046	3.4
183.01215	1.9
191.14400	0.6
243.92223	0.3
251.16527	0.5
279.16104	0.6
311.16998	4.1
311.20145	61.8
312.17480	0.3
312.20483	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	311.2228
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
57.03441	1.5
59.01358	2.3
61.98822	1.0
70.96398	0.9
70.96748	1.0
78.83629	0.7
79.20337	0.7
80.02678	0.8
83.04974	0.8
89.69011	0.7
97.06552	1.0
113.09712	2.6
121.10228	1.9
125.09724	2.0
127.11340	1.1
133.06500	0.8
139.11298	11.8
141.12886	0.9
162.03204	1.3
163.11308	1.5
167.10785	1.8
167.14407	1.5
168.11592	1.2
168.91457	1.5
170.88326	0.9
171.10265	22.4
179.10777	0.9
185.11809	1.8
195.13986	0.8
201.11263	1.9
211.13409	4.0
249.22263	2.9
275.20074	1.5
279.10236	2.0
292.75375	0.8
293.21210	54.6
294.21606	4.7
311.22269	100.0
312.22641	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.11440	0.6
57.26097	0.6
59.01373	1.9
61.98815	2.1
69.03413	0.8
80.11852	0.6
94.92509	1.2
99.08202	0.7
101.37799	0.7
104.20164	0.7
113.09715	1.0
115.07661	1.1
119.94680	0.9
125.38404	0.6
128.08377	1.1
154.99586	0.7
167.14424	3.1
168.91518	0.7
170.88292	0.9
171.10214	1.0
183.13879	2.4
189.87082	0.8
195.13879	9.4
196.14262	1.0
211.13370	1.7
242.15179	0.9
267.19571	1.6
293.21243	8.0
311.22266	100.0
312.22534	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	311.2227
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
59.01366	3.5
75.85382	2.6
86.34516	2.7
91.30445	2.6
97.06584	5.5
98.22595	7.6
111.00873	4.7
112.77453	2.7
114.73694	2.5
125.09665	11.7
136.01877	2.6
136.68050	2.7
149.09683	3.9
155.10709	4.4
169.04976	3.2
182.99675	3.5
183.01201	47.3
185.11848	24.8
195.17473	6.0
197.02693	5.9
197.11801	7.0
239.16373	3.6
251.16521	4.5
252.17120	5.3
293.21198	94.1
294.21341	8.1
311.16736	100.0
311.22437	6.9
312.17078	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	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
59.01370	1.7
70.66469	1.5
87.79895	0.8
99.08150	2.5
101.21550	0.8
111.00890	2.3
113.09694	1.9
125.09716	1.0
127.11296	2.5
129.09216	2.6
132.72972	0.8
139.11295	5.6
155.10770	1.4
165.09213	0.9
167.10709	0.9
169.12274	1.8
171.10260	33.5
172.10651	1.0
181.12386	2.3
183.10269	3.8
183.13860	0.9
185.11800	5.2
197.11861	4.8
199.13445	2.7
201.11356	6.5
211.13417	10.3
224.14172	2.3
228.45346	1.1
235.06567	0.8
275.20120	2.9
293.21210	13.3
294.21536	1.7
311.22263	100.0
312.22580	7.4
322.88181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
54.01811	0.6
57.03442	1.7
59.01376	0.7
69.98793	0.6
74.06773	0.7
76.27947	0.8
78.01103	2.1
80.02661	0.6
98.21756	0.9
109.53181	0.6
121.10204	1.6
123.00185	0.6
123.08175	0.8
123.94884	0.6
125.09734	5.4
125.99609	1.3
127.11269	8.5
137.09695	1.7
139.00366	0.9
139.11281	14.7
151.11327	0.8
153.09175	1.4
155.10753	4.8
165.09213	1.7
167.10800	0.7
171.10260	91.6
172.10614	2.9
183.10237	7.2
185.11810	23.7
186.12239	1.0
199.12398	0.7
201.11305	16.7
205.16005	2.0
265.14453	1.3
267.15927	10.6
275.20139	7.3
276.20325	1.0
293.21219	17.0
311.22250	100.0
312.22595	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	311.2226
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03428	3.0
59.01365	1.9
61.98798	1.3
62.54239	0.9
69.56767	3.4
77.90482	1.0
97.55470	0.9
125.09720	2.2
127.11246	5.3
134.44051	0.9
139.11278	14.9
145.15216	1.1
155.10820	2.1
171.10260	63.7
172.10591	1.9
183.10233	3.5
185.11812	17.7
191.03468	1.2
193.12300	1.5
197.11856	2.2
201.11324	10.3
211.13383	3.1
275.20056	4.5
293.21252	19.4
294.21680	1.9
311.22250	100.0
312.22635	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.80704	1.5
55.99964	1.6
59.01385	2.3
61.98826	2.4
65.61214	1.5
98.46957	1.7
118.11020	1.5
170.88243	2.2
183.01187	5.2
191.14377	1.7
197.02791	2.2
212.88376	1.6
249.22238	51.8
250.22552	4.4
265.99219	1.7
267.15289	2.8
267.23254	2.4
293.21240	22.5
311.17148	13.4
311.22247	100.0
312.22604	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	312.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93322	0.6
59.01376	3.2
61.98822	3.1
69.36292	1.1
69.36673	1.3
71.23951	0.6
78.50068	0.5
99.98903	1.5
117.00436	4.9
123.90183	0.8
124.98489	0.7
125.98544	0.8
126.00461	5.1
126.98099	1.2
126.99988	1.1
128.97928	0.6
129.00488	1.0
141.91235	0.5
141.99960	54.9
143.00090	2.1
155.48935	0.6
160.21814	0.5
167.99545	2.7
168.91721	1.3
168.99173	3.3
169.89473	1.9
169.91901	0.8
169.99446	100.0
170.97816	10.9
170.99182	7.4
171.01491	3.2
179.95554	1.3
184.01006	22.9
185.01138	1.4
217.00523	1.0
225.91632	0.5
259.01477	1.3
312.00647	2.8
312.99155	1.8
313.02710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21538	0.2
59.01382	0.3
65.00334	0.3
68.22471	0.2
71.01388	0.3
77.03957	0.3
81.03459	0.3
86.65005	0.2
89.03951	0.4
93.03447	0.7
95.01381	0.2
95.05035	0.4
97.02981	0.2
105.03459	1.2
106.04224	0.6
107.01374	0.2
108.02164	0.8
109.02961	0.9
110.50955	0.2
117.03465	0.6
121.02960	2.5
123.00897	0.8
123.04516	0.8
124.01661	4.5
125.02449	18.9
126.02764	0.5
133.02950	2.5
134.03723	0.4
135.00899	0.2
135.04492	0.3
136.01671	2.7
137.02449	2.4
138.03232	5.0
139.00362	0.2
145.02974	1.0
147.00874	0.4
147.04637	0.2
148.01691	0.8
149.02444	5.3
149.99612	0.6
150.03255	1.6
151.00357	0.9
151.04015	3.8
152.01154	2.7
152.04739	0.3
153.01910	0.6
154.02708	0.5
159.04468	0.3
160.01653	0.2
161.02438	9.1
162.03221	4.9
163.00325	0.7
163.03903	0.6
164.01147	6.7
164.04771	0.5
165.01929	3.2
166.02715	9.2
167.03516	2.0
168.00687	0.5
169.01395	0.7
173.02431	0.7
174.03223	0.5
175.00310	0.3
175.03996	0.6
176.01152	0.4
177.01913	7.6
178.02669	0.9
178.99863	2.0
179.03487	1.5
180.00684	0.9
181.01495	0.2
188.01167	0.3
189.01936	2.8
190.02718	9.6
190.99850	0.7
191.03484	1.8
192.00645	25.8
193.01408	37.5
194.01953	2.2
194.99355	1.9
195.00868	0.2
195.01181	0.2
195.02962	1.6
198.01706	0.2
202.02690	0.6
203.03517	1.8
204.00734	0.3
205.01411	12.3
206.02188	8.5
206.04210	0.2
207.02997	1.9
208.00114	1.2
209.00940	1.9
210.01593	0.5
211.02454	0.4
219.03011	0.8
220.00131	0.7
220.03661	1.2
221.00906	12.9
221.04224	1.8
222.01694	6.6
223.02284	0.4
233.00919	2.2
234.01692	17.0
235.02234	1.3
237.00398	2.3
237.04025	0.2
238.01056	0.3
239.02003	0.7
263.02020	0.3
277.03467	0.2
294.03818	0.4
295.04581	0.4
302.07928	0.2
312.04852	100.0
313.05240	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	312.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91906	48.6
68.48446	50.5
77.41817	59.5
139.36783	52.7
144.47342	55.7
162.34058	66.6
177.13339	54.7
193.01491	100.0
312.04761	80.5
315.50745	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	313.0564
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.12983	0.4
59.01380	5.6
62.70847	0.4
65.00239	0.5
70.60967	0.8
71.01376	2.7
72.99287	1.7
75.00874	6.8
85.02930	0.8
89.02445	3.9
93.03448	2.0
101.02423	1.9
105.03422	0.8
107.05003	1.2
108.02209	0.8
109.02949	1.6
113.02394	0.8
119.03477	1.2
119.04996	1.2
121.02953	2.2
123.04515	3.8
125.02422	1.0
135.04489	1.1
137.02437	4.8
138.03235	0.6
138.91957	0.5
139.03975	0.9
145.02959	1.5
148.01648	0.5
149.02443	4.9
149.24002	0.4
151.04007	6.5
151.06059	1.3
152.04335	0.6
160.36661	0.5
161.02449	1.3
162.03230	1.0
163.04033	0.8
164.01181	1.8
165.01920	7.7
167.03482	0.6
172.99338	1.5
173.02420	0.8
179.03502	1.9
179.05542	1.4
183.56743	0.5
189.01973	0.8
190.02625	0.5
191.03549	1.5
192.00648	1.7
193.01408	100.0
194.01779	4.2
195.03017	1.5
205.01410	0.7
206.02242	1.5
207.02969	8.3
215.00447	1.0
223.02446	0.8
228.50191	0.6
230.83372	0.5
235.02472	11.0
236.02837	0.9
239.76364	0.6
242.15297	0.5
255.80922	0.5
313.05643	61.8
313.13321	6.0
314.05954	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	313.0564
Annotation	Norbergenin
Peak:m/z	Relative Intensity
54.16333	0.4
70.13641	1.0
75.00865	2.6
79.33972	0.5
93.03458	2.2
97.00514	0.6
105.03500	1.2
107.05017	1.0
109.02921	1.3
117.03468	0.7
119.05030	0.7
119.45078	0.4
121.02953	3.1
123.00900	0.8
123.04530	3.8
123.20927	0.4
133.02934	0.6
135.04507	2.0
137.02448	6.5
138.03214	0.9
139.04027	0.9
145.02965	1.4
149.02443	7.4
151.03998	9.2
161.02422	1.2
162.03206	1.1
163.04013	2.0
164.01163	2.1
165.00714	0.4
165.01930	10.6
165.83609	0.5
166.02631	0.5
179.03511	2.1
189.01968	1.7
191.03522	1.6
191.46475	0.4
192.00691	2.2
193.01411	100.0
193.56963	0.4
194.01785	4.5
195.03012	1.5
205.01395	0.6
206.02156	1.4
207.02965	9.1
223.02448	0.8
235.02467	11.1
237.01161	0.5
290.79550	0.5
313.05646	51.5
313.13028	1.8
314.06033	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	313.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.6
61.64212	0.6
71.01380	22.0
72.99291	0.6
78.01106	1.8
83.01366	0.9
85.02960	0.7
86.49197	0.6
89.00344	2.5
91.01878	0.9
96.96011	0.8
106.00609	3.6
107.05018	1.4
108.02148	1.5
109.02950	2.3
111.00829	0.9
115.00361	9.8
121.02956	44.6
122.03309	0.9
123.00858	3.4
123.04431	0.8
127.00367	0.9
136.98787	0.8
138.03264	4.3
139.04025	1.1
149.99651	0.6
151.04010	9.0
151.07603	0.6
153.05574	35.7
165.01953	1.0
166.99843	1.0
182.02188	4.7
183.02925	2.0
193.01418	11.0
194.01810	0.7
197.04544	100.0
198.04883	3.6
207.02905	0.8
235.02425	0.8
241.10806	1.1
245.03383	1.6
269.10242	1.4
269.13794	0.9
276.11673	0.6
281.22995	0.5
303.72498	0.6
313.05780	7.4
313.09146	1.8
313.12875	4.7
326.23819	0.8
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
55.65287	0.2
59.01370	0.3
59.38635	0.2
77.03960	0.4
81.22228	0.2
108.02145	0.4
109.02935	0.3
117.38846	0.2
121.02957	100.0
122.03273	2.2
165.25623	0.2
180.05835	1.1
181.06581	4.3
182.06810	0.3
193.01434	2.3
225.05580	5.9
313.07233	17.0
313.23877	0.3
314.07645	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.01886	0.5
59.01368	1.6
63.06784	0.4
68.64990	0.4
69.28306	1.5
71.01384	7.0
73.02939	2.5
81.94491	0.4
83.01395	0.8
85.02964	3.0
95.01377	0.4
95.47679	0.4
98.22607	0.8
99.00891	0.6
101.02445	4.2
107.05028	100.0
108.05386	1.8
113.02451	3.4
113.77039	0.4
120.89484	0.4
125.02419	0.6
151.04005	82.6
152.04314	2.7
159.03052	0.6
161.04544	1.7
187.27916	0.4
193.01379	4.8
194.01796	0.9
235.02135	0.5
313.05377	4.9
313.09280	8.0
314.05923	0.5
314.09744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	69.8
69.20844	38.2
69.21254	27.1
69.55334	12.5
71.01380	21.4
81.71536	11.6
85.06581	17.5
95.27100	11.2
98.22612	22.4
108.02172	26.7
123.04592	12.3
137.44644	12.5
146.93117	12.7
165.09276	62.8
183.10258	100.0
193.01395	24.3
209.08205	22.7
227.09222	42.5
239.70210	13.7
269.10202	31.0
294.91550	13.3
313.05823	19.7
313.12949	48.2
313.16461	19.6
313.23901	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	313.0927
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
53.09968	0.4
55.01879	0.6
57.03432	0.5
59.01368	1.8
69.66833	1.0
69.67216	0.6
71.01379	7.1
73.02921	2.1
75.00822	0.5
82.62614	0.4
83.01394	0.5
85.02957	4.0
95.01415	0.8
97.02950	0.4
98.21946	0.5
99.00904	0.5
101.02433	3.0
107.05027	100.0
108.02171	0.9
108.05363	3.1
109.02908	0.7
113.02444	3.5
119.04967	0.4
121.02946	0.9
124.01676	0.7
125.02436	1.8
126.02792	2.2
132.52826	0.4
134.03340	0.6
137.02328	0.4
139.03636	0.4
149.02393	1.0
150.02769	1.1
151.04002	79.9
152.04314	2.9
153.01755	0.5
153.91331	0.5
161.02457	0.9
161.04581	2.4
162.02884	1.3
163.03668	0.5
164.01097	0.6
165.01683	1.7
166.02606	1.0
167.03117	1.0
176.46004	0.5
177.01848	0.7
178.02310	1.1
178.99867	0.4
180.74918	0.4
190.02551	1.0
191.03072	1.8
192.00623	2.0
193.01308	11.1
194.01767	6.8
197.04608	0.4
204.03802	0.6
205.01357	1.1
206.01859	3.0
207.02652	2.2
208.03291	0.6
221.00821	0.9
222.01297	3.2
223.02122	0.7
234.01595	1.4
235.02066	3.9
238.00681	0.7
313.05246	30.1
313.09225	8.3
314.05466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03450	0.9
59.01379	3.5
71.01378	16.8
73.02946	6.1
75.00862	0.7
81.03471	0.4
81.90153	0.4
83.01384	2.2
85.02944	7.1
87.00856	0.5
89.02452	0.9
95.01395	1.3
99.00871	2.0
101.02438	9.5
106.04290	0.4
107.05028	100.0
108.02199	0.4
108.05387	2.1
113.02450	6.4
121.02952	0.9
123.04568	0.4
125.02447	0.6
129.01982	0.4
131.03618	0.4
143.03511	0.8
151.00362	2.1
151.04005	6.7
159.02933	1.6
161.04556	11.3
165.01988	0.4
169.01465	1.0
193.01483	1.9
197.04608	1.2
197.11771	0.8
209.08180	0.7
227.09183	0.7
251.09224	0.4
269.06979	0.6
269.10294	1.5
290.01443	0.4
313.05597	3.9
313.09329	4.7
313.12811	0.8
314.06146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
53.43774	1.3
54.31825	1.3
55.01870	2.8
55.25623	1.3
58.60403	1.5
59.01374	12.6
71.01377	33.5
71.43659	1.4
72.49635	1.8
72.99316	7.5
73.02948	11.1
75.00869	100.0
83.01373	3.5
85.02949	17.2
87.00854	2.8
89.02415	1.9
93.03428	4.0
95.01353	2.0
95.04942	1.5
99.00860	4.0
101.02453	18.1
101.74387	1.4
106.04248	6.8
107.05029	81.0
108.02172	4.1
108.05365	1.6
109.02988	3.0
113.02438	15.8
121.02933	3.4
123.04578	3.3
125.02439	3.9
137.02415	2.2
137.06017	2.1
138.03210	1.8
149.02408	2.9
150.03261	3.0
151.04002	84.9
152.04347	1.5
156.53029	1.7
159.02946	2.9
161.02457	1.8
161.04591	9.7
161.05766	2.2
164.01334	1.5
165.01875	5.0
179.07089	3.1
191.03409	1.6
192.00598	1.6
193.01390	51.2
194.01741	6.4
203.63873	1.5
206.01889	2.9
207.02873	2.8
207.10194	5.1
222.01266	3.4
230.97984	1.5
235.02211	6.2
251.59276	1.4
313.05515	43.3
313.12900	66.9
314.05640	2.7
314.13226	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	313.1293
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
51.13945	0.3
57.03430	1.3
59.01376	2.7
67.01904	0.6
69.03454	7.5
71.01375	4.6
72.99305	6.2
81.03446	0.6
83.05033	1.9
85.02951	2.8
93.03478	0.8
95.01376	3.7
95.05038	0.9
97.02954	5.4
97.06592	0.4
98.22705	0.6
105.53650	0.4
107.05034	0.9
108.02167	2.2
109.02972	0.6
109.06590	1.0
111.04516	2.6
111.08165	2.5
113.02467	2.4
121.02944	6.9
122.13327	0.4
123.00877	8.2
123.04485	0.9
124.01666	1.0
127.11256	0.6
130.08661	0.4
136.05267	0.5
137.02440	0.4
139.04018	3.4
141.01938	30.6
142.02258	0.8
147.04506	0.4
149.09703	1.4
151.04002	1.6
151.11272	0.7
158.15237	0.4
161.09729	0.8
161.70828	0.4
162.03203	0.7
165.01828	0.6
171.10269	5.0
177.09181	0.6
177.12830	0.9
179.09314	0.4
179.10704	2.2
184.14722	0.4
189.12817	1.3
193.01407	3.4
194.01733	0.5
195.10258	3.6
205.08679	3.1
207.02928	0.4
215.10815	1.0
221.11751	0.7
223.09763	6.2
223.13269	0.4
228.91388	0.3
231.10086	0.4
233.11833	1.3
235.02444	0.5
237.11276	0.4
238.97322	0.4
249.11316	0.6
251.12950	0.9
259.09662	2.1
267.12512	0.8
277.10855	3.1
280.95267	0.4
295.11877	3.8
313.05493	3.3
313.12927	100.0
314.13287	6.2
332.52933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28400	0.6
57.03442	1.0
58.49608	0.5
59.01385	3.1
71.01371	1.5
72.99302	8.9
73.02930	0.7
75.00867	100.0
85.02963	0.7
93.03463	1.3
95.01395	0.6
101.02408	0.8
106.14397	0.6
107.05025	8.5
108.02175	1.5
109.02934	1.5
113.02440	0.8
121.02932	2.9
122.03727	0.6
123.04533	3.1
124.05328	0.6
125.02452	0.9
135.04547	1.6
136.05313	1.7
137.02415	4.0
137.06114	1.9
139.07668	1.5
145.02945	0.9
147.00815	0.6
149.02457	3.9
149.17250	0.5
151.03989	10.8
152.04309	0.6
161.02437	1.1
163.03954	1.1
164.01140	1.3
165.01909	6.0
167.03485	0.6
177.09131	0.6
179.03578	1.4
179.07106	3.2
188.97171	0.8
189.01956	1.0
191.03436	1.1
192.00578	1.4
193.01396	68.8
194.01765	5.8
195.03043	0.7
206.02016	1.5
207.03001	6.4
207.10262	3.4
235.02396	7.5
237.11331	1.9
313.05609	42.3
313.12906	68.9
314.05865	1.6
314.13239	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	313.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37034	1.4
53.33928	1.4
59.01362	1.5
61.98834	1.8
62.31100	1.2
70.67489	3.4
83.05033	1.5
98.22520	1.5
127.07038	1.3
170.88301	1.4
191.32567	1.6
193.01476	3.3
213.18491	3.0
237.14963	2.3
241.18071	100.0
241.39778	1.4
242.18352	7.3
254.85677	2.3
292.77789	1.8
308.59848	1.5
313.05569	2.3
313.23779	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	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.79349	0.3
57.03439	0.6
60.67965	0.3
61.98830	0.4
65.79649	0.3
69.03454	0.4
70.76262	0.4
91.02169	0.4
112.38571	0.4
145.75801	0.3
249.22227	0.8
251.23779	62.1
252.24124	5.2
269.24765	1.8
271.14795	0.4
295.22763	24.2
296.23105	1.8
313.23813	100.0
314.24185	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	314.9802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84385	0.4
59.01380	88.0
60.01705	1.1
60.57081	0.4
61.85299	0.5
62.29660	0.5
69.31438	1.1
69.31832	0.9
99.13165	0.4
114.98855	0.6
131.08276	3.0
132.98192	2.0
144.14406	0.5
156.99956	0.9
172.00983	1.4
172.99283	0.5
173.10445	0.6
174.99242	29.9
184.01050	0.8
191.84778	0.5
194.07722	0.4
196.05710	1.3
206.54539	0.5
217.00294	100.0
217.98766	0.5
218.00607	2.8
226.00885	0.4
238.06841	5.7
255.09459	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01374	3.3
65.03957	3.8
66.77744	0.9
67.01881	2.1
69.89682	1.0
71.01385	3.2
71.04998	1.1
72.99309	3.0
73.55798	0.9
75.00872	24.5
76.46085	1.0
79.05532	3.0
81.03445	2.4
85.02971	1.0
89.02455	1.3
91.05499	1.6
93.03450	15.2
107.05031	1.2
108.02165	56.5
109.02949	60.2
119.05010	2.1
121.02940	12.7
123.04508	21.6
125.02440	1.1
133.02956	1.7
135.04497	5.3
136.80997	1.0
137.02481	1.5
139.04034	1.4
149.02457	1.6
151.04013	19.6
152.01144	43.2
152.04306	1.0
153.01930	87.5
154.02299	2.1
163.04010	13.2
165.01907	21.6
167.03510	1.9
174.57315	1.0
175.03909	1.3
177.01897	2.3
179.03506	1.4
181.05095	3.5
191.03439	1.5
193.01378	1.8
195.03107	11.3
207.03000	3.7
219.02950	5.4
225.03981	7.6
255.05086	1.2
271.08362	0.9
297.06183	1.8
306.74954	0.9
313.94049	1.0
315.07208	100.0
315.14441	23.4
316.07288	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.26669	0.9
59.01371	9.6
71.01366	4.3
75.00844	3.0
81.03451	1.9
85.02956	2.2
85.07661	0.9
88.72511	1.0
101.02447	2.0
108.02164	93.6
109.02954	72.9
110.03254	1.2
113.02432	2.3
123.04488	6.5
127.22940	0.9
128.90605	0.8
151.04016	1.6
152.01141	67.7
153.01926	98.9
153.05576	3.7
154.02277	2.2
163.04073	0.9
164.33234	1.0
165.01952	2.1
174.99232	1.6
177.01981	1.4
195.03024	5.7
217.00224	3.2
225.04019	1.8
255.05080	1.9
309.66742	1.0
315.07196	100.0
315.14627	3.9
316.07520	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	315.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24342	0.6
50.58877	0.9
57.03432	0.7
59.01388	4.8
65.49873	0.7
68.39761	0.7
69.03440	1.1
71.01390	1.7
71.44849	0.7
72.99308	33.3
73.02950	0.9
79.11655	0.6
81.56639	0.7
83.05061	0.8
87.00874	29.2
97.02949	0.7
97.06612	1.8
110.03701	0.7
112.48909	0.6
123.00869	0.9
123.04522	0.8
123.08181	0.8
124.01685	1.1
125.09727	1.3
137.02425	1.5
137.09737	2.3
138.03230	0.7
139.11273	0.8
145.39108	0.7
149.09703	1.9
151.07643	1.0
153.09183	1.6
155.03557	0.8
155.10786	2.2
162.38864	0.6
165.09200	3.5
167.10776	2.1
177.09193	2.2
181.08704	0.9
182.65425	0.7
183.10242	2.1
193.08714	2.4
211.09737	2.9
221.08125	2.7
239.09239	20.2
240.09691	0.8
253.10860	1.9
253.14388	0.7
255.12372	1.3
271.11856	100.0
272.12234	6.2
297.13467	1.1
315.10931	1.3
315.14536	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	315.1084
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01883	1.2
55.62098	0.9
59.01378	100.0
71.01381	39.4
71.43742	0.9
72.99267	1.5
73.02971	1.2
75.00896	1.0
75.13829	1.0
77.34116	1.0
77.39177	1.1
79.66727	0.9
80.40415	1.1
83.01373	2.6
85.02966	8.9
87.00867	1.5
88.98834	1.2
89.02443	44.2
95.01371	2.6
98.09930	1.0
101.02444	24.2
107.05002	2.4
108.02169	1.6
109.02956	8.6
113.02447	14.1
119.03497	20.3
120.99644	2.0
123.00875	2.3
123.04491	4.4
124.01670	1.9
125.02414	4.6
128.52293	1.1
135.04523	78.2
136.04855	2.3
137.02432	3.8
137.03500	1.5
139.03973	1.2
143.03479	1.9
151.00406	1.2
151.03990	1.3
152.05864	2.1
153.01932	23.7
153.05589	4.9
153.06660	1.8
161.04480	1.7
165.68611	1.1
167.03442	2.0
168.00581	3.5
169.01364	1.9
174.99170	1.1
179.05595	2.6
183.02917	4.7
185.42384	1.0
195.02922	1.7
201.75253	1.0
217.00212	3.4
229.08891	1.0
232.97511	1.2
315.07150	11.1
315.10782	85.0
316.11166	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	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12707	0.8
54.18745	0.7
55.01901	0.8
59.01384	6.6
60.02466	0.8
69.03465	1.7
69.07368	0.8
69.89062	1.8
71.01366	1.8
72.99307	31.8
73.02961	1.3
81.03468	0.9
83.05046	0.8
87.00878	32.8
95.05022	1.1
97.02967	0.8
97.06599	1.0
109.06593	1.4
110.03746	2.2
123.00911	4.1
123.08147	1.6
124.01696	1.6
125.09757	1.9
135.08156	1.1
137.02429	2.5
137.09727	2.4
138.03278	1.7
139.11331	1.9
147.08121	1.1
149.02457	2.1
149.09731	2.7
153.05539	1.3
153.09227	1.5
155.10782	2.8
159.08185	0.9
165.09215	4.8
165.10419	0.9
166.25584	0.9
167.10733	4.3
175.07635	2.3
177.09212	3.4
181.08728	2.1
183.10313	2.6
191.07153	1.2
193.08653	3.9
194.09424	1.0
195.10292	1.0
203.07117	1.6
211.09740	7.1
213.11259	1.0
219.48807	0.8
219.78836	1.0
221.08185	8.3
239.09251	44.6
239.97351	0.8
240.09584	1.6
243.12338	1.1
251.12959	0.9
253.10817	2.9
269.13870	0.8
271.11868	100.0
271.45776	1.0
272.12228	6.0
297.13544	2.3
300.02838	1.1
315.05124	3.2
315.10825	5.6
315.14453	9.6
315.18103	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	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94434	1.3
59.01362	4.4
59.71781	1.4
59.78196	1.1
69.20305	6.1
78.17464	1.4
79.16636	1.4
98.22658	2.7
109.02984	1.4
110.65521	1.3
120.99613	1.5
123.00892	1.9
124.01665	3.1
149.33020	1.6
163.55420	1.4
171.13971	1.8
181.12335	1.8
199.13377	55.7
200.13742	2.6
243.12357	100.0
244.12697	4.5
247.06210	1.8
264.32495	1.5
265.07025	2.4
271.02441	2.5
280.33218	1.4
287.02252	1.9
297.09741	2.0
315.10800	5.8
315.14368	3.2
315.18082	2.0
316.01971	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	4.5
59.01379	52.4
72.99309	35.7
84.02134	3.2
84.83521	2.3
85.48502	2.4
87.98300	2.8
91.32678	2.6
112.30692	2.3
123.00864	2.4
123.04549	13.8
124.01675	5.6
125.02425	3.0
151.11223	4.5
153.05644	3.0
154.00203	5.6
154.01450	100.0
154.02689	6.0
157.70882	2.5
165.12766	2.9
167.03477	22.3
169.12332	8.3
181.12421	5.7
194.32739	2.4
197.04506	5.4
209.11795	10.6
211.09804	2.8
227.12888	11.2
241.10794	60.8
253.10815	12.1
255.12381	2.9
271.11829	52.7
271.15186	3.6
283.15036	3.1
295.75891	2.8
297.09686	7.3
315.10782	8.7
315.14484	8.4
316.06796	15.1
339.83804	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	315.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27266	0.7
59.01376	14.7
60.17695	0.7
65.03934	1.5
67.01862	1.0
70.06744	2.2
71.01368	1.7
72.99268	1.6
75.00866	4.3
76.79016	0.7
81.03416	1.1
82.02976	6.2
82.34100	0.7
83.06139	4.4
85.02922	1.0
91.11529	0.8
93.03418	1.0
108.02167	50.6
108.05665	1.0
108.13315	0.8
109.02959	29.2
113.02382	1.0
117.00433	1.6
121.02924	1.2
123.04482	3.0
124.01614	0.8
124.04034	26.3
126.00443	1.2
129.06680	0.9
131.08255	50.3
136.03983	2.9
137.02469	0.7
141.01576	1.7
141.05183	1.0
150.05202	5.8
151.03976	1.5
152.01154	30.4
153.01932	45.7
153.99942	2.6
154.01091	1.0
154.02248	1.3
154.05052	2.4
156.07791	1.9
159.01517	1.1
163.03975	2.0
165.01930	2.9
165.05095	1.0
172.01022	21.7
172.99414	1.0
173.01071	1.0
173.10419	6.4
174.99268	2.0
178.04782	1.7
182.03107	1.0
183.02951	1.3
183.06253	1.5
185.02980	1.6
190.04710	1.1
192.02603	4.0
192.06258	2.2
194.07820	5.2
195.02927	2.2
196.05763	22.8
197.05872	1.7
208.05869	0.9
211.05827	1.1
214.05690	3.0
217.00246	6.3
225.03981	1.3
231.08345	7.0
238.06821	100.0
239.06978	8.0
255.09468	73.4
256.09653	6.4
273.10538	3.6
315.07214	44.7
315.14487	3.6
316.07529	3.3
316.10748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
59.01376	21.6
71.01378	8.5
71.05011	0.8
72.99325	2.3
73.02938	5.2
81.03452	0.8
82.99627	0.6
83.01383	0.5
83.05018	0.6
84.02156	1.0
86.05952	0.4
87.04530	0.5
93.03462	0.5
95.05031	0.5
97.06601	0.6
99.04506	0.7
108.02135	1.0
109.02962	1.6
109.06541	0.5
110.03736	0.5
122.03783	0.5
123.04505	1.8
123.08153	0.7
124.01653	3.3
125.09731	0.5
127.11293	0.8
134.03751	0.5
143.07086	0.9
153.01895	0.7
153.12880	0.6
155.10759	3.3
167.10709	0.5
169.12373	0.9
178.93805	0.4
181.12352	6.5
183.10258	7.4
195.02876	1.1
195.13939	0.6
197.11893	0.4
199.13422	2.3
207.13812	2.6
209.11853	3.8
217.12283	2.5
219.10263	2.7
225.11366	0.5
235.13368	7.3
236.13658	0.7
237.11314	16.1
238.11668	1.0
239.09241	0.8
243.12285	4.7
251.12788	0.6
253.14417	5.8
255.05092	1.8
255.12363	12.6
256.12689	0.5
261.11279	1.2
269.13934	0.8
271.06427	0.9
271.11798	1.9
271.15701	0.5
279.12396	5.3
297.13409	11.2
298.13596	0.9
315.14450	100.0
316.14777	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	315.1808
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.77358	0.6
55.01876	10.7
57.03449	6.6
59.01376	57.3
64.01122	0.6
69.03458	1.1
71.01377	100.0
71.46079	0.6
72.01723	1.3
72.99313	1.9
73.02942	40.3
75.00865	1.0
81.03451	1.0
83.01378	19.3
84.11636	0.6
85.02946	53.4
86.00092	1.2
87.00877	3.7
89.02435	6.1
95.01380	7.0
97.02934	3.0
99.00872	15.0
101.02438	95.4
102.02754	1.6
109.81290	0.6
111.00877	1.6
113.02444	46.8
114.02734	0.8
115.04012	0.7
119.71085	0.6
125.02463	2.8
129.01932	1.9
131.03444	0.9
143.03479	6.4
153.12868	3.6
159.02979	11.7
161.04550	81.7
162.04871	1.7
171.13974	0.6
195.13820	1.1
205.03482	1.3
315.18097	95.4
316.18317	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	315.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30989	0.6
55.01876	5.5
57.03440	6.2
57.50748	0.5
58.00583	0.9
59.01377	60.1
61.39292	0.7
69.03453	0.7
69.34457	3.3
71.01379	100.0
72.01730	0.7
72.99319	1.8
73.02943	28.2
75.00893	0.9
79.34118	0.6
81.03455	0.8
81.76682	0.6
83.01382	11.5
85.02949	41.3
87.00861	3.3
88.15202	0.8
89.02443	26.4
93.03452	0.6
94.12984	0.7
95.01385	8.9
97.02953	2.2
99.00876	13.7
101.02441	54.1
101.41456	0.6
113.02450	39.7
114.02779	0.9
119.03496	7.5
121.35249	0.6
125.02427	3.5
129.01944	1.2
131.03502	0.9
138.02156	0.7
143.03549	3.4
159.02986	7.3
161.04556	26.1
205.03627	0.8
242.75716	0.7
315.18036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.4
65.00333	1.3
75.56715	0.3
77.09833	0.3
83.01394	0.5
87.00871	0.4
91.01871	0.3
95.01399	0.4
96.02193	0.5
98.21790	0.5
107.01390	1.9
108.02177	0.5
109.02950	1.1
110.41561	0.2
123.00872	0.5
124.01660	6.8
125.02480	0.3
135.00856	0.9
136.01671	1.2
137.02443	1.9
139.47992	0.3
143.04984	0.5
147.00876	0.6
148.01654	0.8
151.00374	4.7
152.01149	1.8
155.05072	0.4
158.03720	1.2
159.04498	0.6
161.02393	0.5
163.00294	1.9
164.01144	4.1
165.01912	0.5
169.01489	0.3
170.03703	0.3
171.04564	0.6
175.04002	0.8
178.99829	3.4
180.00586	0.3
185.02443	1.0
186.03191	0.4
187.04062	1.2
188.04739	0.4
189.01869	0.6
191.03490	0.4
192.00529	0.4
197.02695	0.3
198.03236	0.4
199.03992	1.8
201.01846	0.4
203.03485	2.6
204.04240	1.1
213.01915	1.5
214.02716	10.3
215.03407	2.9
217.01408	0.8
221.47418	0.2
227.03523	1.8
229.01379	1.0
231.02933	0.8
232.03769	0.7
241.01413	0.9
242.02185	7.6
243.02956	9.4
244.03362	0.5
245.00922	0.4
259.02448	11.9
260.02896	0.7
270.01688	6.9
271.02466	49.9
272.02832	3.0
287.01962	28.7
288.02481	3.4
289.21597	0.6
315.01471	0.7
316.02206	100.0
317.02728	12.8
317.19702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57065	0.2
51.91589	0.2
65.00543	0.2
65.99850	0.4
69.08765	1.3
72.99296	0.7
116.92853	0.2
123.00905	2.1
124.01664	6.9
130.08725	0.5
131.57957	0.2
153.00674	0.9
154.01457	100.0
155.01813	2.2
156.35872	0.2
170.32321	0.2
211.12262	0.2
249.70860	0.2
289.21573	0.3
316.02936	0.5
316.06696	7.8
316.18723	0.4
317.06866	0.3
317.21252	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	316.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03116	0.9
61.98829	60.5
68.67528	1.1
69.95605	2.2
69.96018	2.2
72.99303	1.1
92.22432	1.0
98.21835	1.1
111.36275	1.0
112.22665	0.9
125.99570	8.0
169.15958	1.7
239.62225	1.0
242.18286	2.2
243.18813	1.3
244.18872	2.7
253.14452	100.0
254.14789	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	317.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	3.4
59.01376	12.5
68.41573	1.6
69.64267	6.1
69.64603	1.5
71.01372	5.1
74.80633	1.8
76.31661	1.8
83.01380	2.5
85.02957	1.6
87.00867	3.7
89.02435	2.7
93.03455	49.7
99.00854	5.7
107.05032	2.1
109.02944	2.7
113.02444	2.1
113.99580	25.0
115.00360	33.6
119.05008	5.3
123.04524	2.9
125.02374	1.5
129.01997	1.9
133.02943	10.6
135.04512	5.1
139.00333	3.1
147.04538	2.3
147.85092	1.6
149.06053	5.9
157.01436	5.6
158.59854	1.6
161.04558	1.9
163.04015	3.6
165.05580	17.3
175.02467	9.1
175.03876	2.7
177.05553	9.4
181.05008	5.2
185.13399	1.7
193.05055	11.6
200.57222	2.1
219.06642	2.0
221.04541	100.0
222.04887	5.2
231.02966	2.9
263.05511	4.4
281.06683	11.5
285.03384	1.5
303.17783	1.7
317.04208	6.3
317.11438	3.5
317.21075	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	317.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96220	0.3
59.01381	1.9
61.92924	0.3
71.01371	1.0
81.03457	0.7
85.02967	0.7
89.02454	0.8
101.02490	0.5
109.02952	1.2
111.00880	1.2
111.03457	0.4
111.04401	0.4
112.01689	0.5
116.92878	1.4
120.99660	2.3
125.02400	0.9
127.00236	0.4
136.04036	0.6
137.04398	0.5
139.00363	4.1
140.01152	81.2
141.01489	2.0
153.01924	2.6
154.02669	0.8
154.62894	0.3
155.03499	100.0
156.03827	3.2
161.04466	0.6
165.04079	0.6
165.05626	0.6
169.01422	0.4
193.01482	0.8
194.01749	0.5
195.01799	2.5
196.02161	0.7
197.02406	1.3
209.03491	0.4
211.04118	0.5
213.66988	0.3
237.03014	0.5
279.10736	0.7
309.90332	0.4
317.05798	1.8
317.08643	6.6
317.21240	0.5
318.02829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15961	1.5
69.67101	1.6
69.67452	5.2
72.99306	61.1
76.58588	1.4
92.40086	1.5
98.00089	2.4
98.21916	2.8
111.78294	1.3
151.03999	2.9
167.14441	1.9
171.13916	2.4
183.13898	8.6
199.13385	45.5
211.13409	16.6
221.27675	1.5
230.61980	1.6
243.12352	100.0
244.12741	6.0
255.12361	28.5
256.13025	1.7
298.04294	1.4
299.11313	6.0
317.03027	2.0
317.12393	7.7
317.15793	2.2
317.19617	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	317.212
Annotation	3alpha-Hydroxy-2,15-dioxo-ent-labda-7,13Z-diene
Peak:m/z	Relative Intensity
51.48913	0.3
62.95457	0.3
65.07948	0.4
71.16527	0.5
74.33588	0.3
76.23855	0.3
100.83721	0.4
122.03735	27.3
123.04552	4.4
135.04532	1.5
136.05266	0.8
147.99402	0.4
149.06033	0.6
150.03201	1.7
163.03954	0.4
164.04802	1.0
181.55351	0.4
182.57912	0.3
262.48016	0.4
289.21719	54.3
290.22061	4.5
317.21188	100.0
318.21542	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	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04578	0.3
55.01883	4.7
57.03448	8.9
68.55051	0.3
71.41762	0.4
81.03471	0.2
81.53535	0.3
92.92792	0.3
94.80975	0.3
95.05037	2.4
95.15774	0.3
122.03732	1.8
136.05316	2.7
137.06085	0.6
149.06091	3.8
151.21658	0.3
163.07660	1.3
163.35219	0.3
191.14400	0.3
192.28439	0.3
205.12325	0.5
219.17480	2.3
247.17038	1.5
259.17020	2.7
273.18686	0.3
273.22116	0.4
275.20151	0.7
289.21671	2.3
299.20230	0.4
315.19321	0.4
317.21198	100.0
318.21576	9.3
318.24554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.98824	0.4
69.15089	2.1
71.28719	0.3
87.16033	0.3
98.22621	0.7
103.87386	0.3
121.02953	0.4
122.03735	14.3
123.04500	0.9
135.04520	2.9
136.05281	0.9
137.02477	0.4
139.37506	0.4
149.06090	1.8
151.03998	0.8
158.54176	0.3
163.07635	0.8
167.84680	0.4
177.09201	0.7
183.15602	0.3
191.10757	1.1
191.64331	0.3
202.77353	0.4
205.12279	0.5
263.16507	3.0
265.14331	1.2
275.16498	1.0
289.21729	6.1
290.22055	0.5
317.21185	100.0
318.21515	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	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98822	2.3
79.05523	1.0
81.03456	37.1
92.92781	1.2
116.92882	2.3
122.03744	9.0
123.04523	100.0
124.04848	2.3
137.79819	0.8
178.25690	0.8
221.15599	1.2
231.68535	0.8
249.14992	3.6
254.85713	0.7
275.20135	0.7
289.21732	14.4
317.21201	81.0
318.21530	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19587	0.3
55.01633	0.4
55.01876	4.7
55.45087	0.3
57.03442	0.7
70.68790	0.5
83.05011	0.7
83.35223	0.3
84.14268	0.3
85.10992	0.3
87.31578	0.3
93.33915	0.3
95.05021	3.0
97.06566	0.5
99.08141	0.4
104.30402	0.3
111.08157	1.1
116.92848	0.5
122.03719	1.4
136.05273	3.4
147.11783	0.4
149.06093	3.0
152.95589	0.3
163.07640	0.7
165.12865	1.0
184.05508	0.3
191.14192	0.4
203.14320	0.7
254.85637	0.4
263.16479	1.0
273.22147	0.4
275.16595	0.6
289.21774	2.1
317.21191	100.0
318.21552	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	317.212
Annotation	CAY10410
Peak:m/z	Relative Intensity
55.01863	1.7
69.59077	0.7
69.59468	1.1
74.69768	0.4
79.05529	4.4
83.54707	0.5
86.61806	0.4
95.04993	0.5
98.86318	0.4
108.02168	1.3
120.05807	1.0
121.06551	1.8
122.03745	2.9
123.04542	4.1
125.02457	0.7
133.06577	1.9
136.05270	1.3
177.05559	4.9
191.07195	0.7
228.05321	0.4
254.61635	0.5
261.18704	1.2
273.22238	2.4
281.17505	0.7
317.21185	100.0
318.21539	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	317.2119
Annotation	3alpha-Hydroxy-2,15-dioxo-ent-labda-7,13Z-diene
Peak:m/z	Relative Intensity
64.15025	0.3
64.88745	0.4
68.99783	0.6
70.10119	0.7
73.40501	0.4
81.03462	4.8
85.56369	0.3
98.22013	0.5
107.05049	0.5
122.03737	8.5
123.04549	3.0
135.04518	1.8
149.06049	1.0
150.03249	0.6
151.03998	1.7
160.70818	0.3
165.05489	0.6
213.69554	0.4
247.20644	9.8
273.22244	1.5
289.21716	100.0
290.22067	7.7
317.21194	78.4
318.21692	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	317.2119
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
58.02760	0.3
66.42088	0.3
68.99837	0.3
70.76718	0.5
71.01363	0.6
73.47366	0.3
77.89571	0.3
81.03467	0.9
83.01382	0.4
93.03455	0.7
95.01395	2.1
107.05002	0.4
108.02171	18.1
109.03008	0.6
121.02912	0.7
122.02876	0.7
122.03735	10.5
123.04577	0.7
124.01679	0.6
135.04535	2.8
136.01660	1.3
136.05252	0.4
150.03186	1.8
150.06778	0.3
151.03987	0.4
163.04008	3.5
163.07646	0.8
164.04663	0.4
177.05563	3.4
177.09225	1.0
191.07112	1.3
205.08694	4.3
231.13901	0.7
245.11832	0.5
245.15440	0.6
259.13403	2.1
273.14966	1.4
274.19388	6.8
275.19733	0.6
289.21753	8.6
290.22168	0.7
293.12790	0.4
301.18051	0.7
302.18661	1.6
317.21204	100.0
318.17847	0.5
318.21564	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	317.212
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
56.28754	0.4
61.98825	0.5
63.02393	0.9
64.75421	0.4
66.97807	0.3
68.32736	0.4
69.60391	1.3
76.52818	0.4
81.03432	0.5
85.00420	0.4
91.01896	3.6
98.22700	0.5
104.48389	0.4
105.03458	0.8
111.85798	0.5
116.92848	1.0
119.05021	0.5
121.02948	1.1
122.03735	10.0
123.04543	0.6
135.04538	1.0
136.05321	0.7
149.06117	0.7
150.03239	2.8
158.29027	0.4
163.03986	2.6
164.04773	0.4
165.01926	0.6
177.05583	1.2
191.07185	1.0
219.10194	1.9
235.54175	0.5
247.20613	2.2
271.20679	2.7
289.21713	19.4
290.22070	1.5
315.19653	7.1
316.20074	0.4
317.21194	100.0
318.21533	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	317.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63751	0.4
56.64067	0.4
57.56459	0.4
59.56315	0.4
69.24658	1.5
75.84319	0.4
81.03448	6.1
83.82749	0.4
122.03725	5.1
135.04501	1.5
149.06044	1.0
177.09154	0.6
194.49615	0.4
219.13937	0.5
275.23792	9.1
276.24091	0.7
289.21814	0.7
317.24823	100.0
318.25150	10.1
335.51620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2484
Annotation	Bilobol
Peak:m/z	Relative Intensity
55.01876	4.8
63.00237	0.3
67.93639	0.4
70.03561	0.3
71.44994	0.4
72.24696	0.4
81.03462	0.8
95.05015	1.8
100.05497	0.4
108.02171	1.0
116.92815	0.5
118.54594	0.3
122.03732	29.1
123.04543	8.8
135.04527	2.0
136.05325	3.6
137.02411	1.0
137.06047	0.5
138.03191	1.4
149.06096	2.8
150.03229	2.2
151.03998	5.6
152.04778	1.1
154.02657	0.6
163.04018	0.6
163.07646	1.1
164.04745	1.7
165.05557	1.4
177.09045	0.4
177.33984	0.4
191.10847	0.4
243.58711	0.4
261.22241	1.6
264.14603	0.4
275.16611	0.6
275.20151	1.8
289.21710	52.8
290.22037	4.7
303.19678	2.8
315.22818	0.5
317.21149	100.0
317.24820	76.6
318.21869	33.1
318.25259	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	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50510	0.4
57.03447	10.5
59.01374	3.8
63.02395	1.0
65.00334	2.4
68.99829	0.4
69.03432	0.4
71.01377	3.1
73.02952	1.0
81.03454	1.8
83.01378	5.4
85.02954	1.6
89.02443	2.1
93.03449	1.9
95.01389	1.4
95.05051	0.6
97.02956	2.1
98.21691	0.7
101.02435	2.4
107.01411	3.3
107.04987	0.4
108.02225	0.6
109.02953	5.1
111.00887	0.4
111.04517	1.2
113.02439	1.4
119.01376	0.7
119.03496	0.5
119.04932	0.4
121.02946	2.8
121.06686	0.4
123.00885	4.0
124.01650	6.0
125.02444	58.8
126.02793	1.3
135.04535	1.0
136.01674	0.5
137.02438	14.1
137.03493	0.7
138.03226	4.5
139.04010	6.2
145.02931	0.4
147.00851	4.5
147.04523	0.6
149.02422	1.3
151.00374	12.1
151.03992	1.0
152.01149	2.6
153.01939	9.3
153.05507	0.4
155.03510	1.2
157.08646	0.5
157.33005	0.4
159.04517	1.0
161.04549	0.5
161.06053	0.4
163.00311	0.9
163.03961	0.8
164.01173	1.4
165.01927	12.0
166.02716	5.6
167.03497	15.5
168.03777	0.7
169.01320	0.7
171.10220	0.6
175.00354	25.3
175.03870	0.8
176.00877	1.6
176.07878	0.4
177.01907	1.0
177.05627	0.5
178.99857	12.6
179.03462	1.3
180.00444	0.7
181.01411	2.7
181.05106	1.1
183.04547	0.5
185.02399	0.9
185.05989	0.6
187.04005	2.3
189.01898	0.6
190.02722	0.9
191.03490	11.6
193.01408	100.0
194.01775	3.6
201.05510	0.7
203.03502	0.7
205.05031	0.9
209.04672	0.7
211.04080	0.5
213.05515	0.7
215.03482	8.7
217.05157	1.0
218.05795	1.7
227.03479	0.5
229.05023	1.4
232.03751	0.7
233.04524	3.2
235.06076	0.7
236.06912	0.8
239.03484	1.3
247.05983	0.5
257.04547	8.4
260.06836	2.5
275.05859	0.9
275.09244	2.1
283.02405	1.1
291.05231	0.6
292.02734	0.4
301.03525	11.9
302.03839	0.6
304.33975	0.4
319.04517	3.2
319.08176	12.7
319.13846	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	319.0457
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
50.87339	0.6
57.03163	0.7
57.03448	11.2
57.47860	0.5
59.01362	1.2
63.02386	1.2
65.00311	2.4
72.99303	1.3
81.03453	1.2
83.01382	5.1
93.03489	0.8
95.01393	0.9
95.05008	0.7
96.72205	0.6
98.22706	1.0
101.02433	0.6
104.51485	0.5
107.01398	4.3
108.14338	0.5
109.02942	5.1
111.00877	0.5
111.04541	0.9
114.64899	0.5
121.02950	3.4
121.17984	0.6
123.00854	3.9
124.01644	5.0
125.02446	55.7
126.02757	1.2
128.30682	0.6
133.06651	0.5
136.54051	0.5
137.02454	11.1
138.03265	2.9
139.04019	6.4
145.02974	1.2
147.00888	5.4
149.02443	0.8
151.00366	11.6
151.04016	1.6
152.01122	2.2
153.01955	8.3
155.03497	1.6
159.04547	1.3
161.02472	0.8
163.03992	0.6
165.01930	12.3
166.02708	4.3
167.03490	13.9
168.03799	0.6
169.01440	0.7
173.02274	0.7
175.00359	25.9
176.00993	1.3
177.05609	0.8
178.99854	11.5
179.03561	1.0
181.01389	2.0
183.04530	0.6
185.02390	0.9
187.04022	1.9
190.02713	1.0
191.03503	14.7
192.03883	0.9
193.01410	100.0
194.01743	3.3
201.05481	0.7
205.05028	1.5
213.05518	1.2
215.03471	9.2
217.05013	0.5
229.05003	0.9
233.04495	2.0
239.03365	0.9
247.06033	0.6
257.04541	8.6
260.06970	1.0
275.08951	0.6
283.02481	1.4
301.03558	9.3
302.03806	0.8
319.04529	2.8
319.08240	7.1
319.14066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0822
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
52.76218	0.6
57.03435	1.6
59.01377	3.3
60.66071	0.6
61.43093	0.6
64.45234	0.7
65.03951	1.0
69.03451	2.1
71.01377	1.5
72.99293	6.0
73.02932	0.9
74.99110	0.7
77.74590	0.6
79.92085	0.6
81.03452	2.9
83.01373	7.1
85.02895	0.7
89.02425	1.0
93.03444	2.8
95.01360	1.0
95.05025	0.9
97.02972	3.3
98.21863	1.4
99.04531	1.1
107.04984	1.2
109.02949	8.4
121.02941	1.4
122.03717	0.8
123.00872	4.9
123.04520	2.6
124.01630	3.8
125.02452	15.0
137.02444	100.0
138.03235	51.3
139.04042	4.4
149.02437	1.7
151.04008	3.3
153.01892	2.1
153.05577	2.2
158.83186	0.6
161.02451	1.3
163.04039	0.7
164.01143	4.5
165.00522	0.8
165.01929	20.6
166.02707	77.1
167.03488	17.2
168.03902	1.2
170.02196	3.7
172.89235	0.7
173.05997	0.8
173.08238	0.9
175.03973	3.1
177.01997	1.1
178.02657	1.0
179.03555	3.8
181.05077	12.3
189.05635	1.5
193.01453	0.7
193.05190	0.8
195.10269	1.0
201.01871	0.7
201.05542	1.0
203.03531	1.2
203.07132	1.6
213.05531	0.7
213.11287	1.9
215.07263	0.9
215.09286	0.8
215.12959	0.9
216.04205	0.9
217.04974	3.5
218.05836	5.4
220.03740	1.4
231.06772	0.7
231.15952	0.8
233.08167	3.2
235.06129	1.2
236.06848	2.0
242.05878	0.9
247.06165	1.8
257.04489	1.0
258.05179	0.9
259.06094	1.6
260.06882	6.8
268.03882	1.2
269.04364	0.8
275.05804	0.8
275.09216	2.0
275.11713	0.9
283.06107	1.3
285.04144	0.8
286.04773	2.1
301.07181	6.6
302.37332	0.8
304.05923	6.6
319.04779	2.7
319.08194	40.1
319.13715	4.9
319.22623	1.3
320.08588	3.0
340.60873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28498	13.3
56.86727	12.6
58.38426	13.8
59.01368	44.2
65.00301	13.4
69.38118	14.1
72.99313	87.8
73.02914	15.1
115.74038	17.5
119.05000	52.1
121.02962	15.9
124.80063	16.3
137.02420	18.1
145.02995	21.8
145.05061	21.4
146.05560	15.6
163.03951	40.2
167.03461	60.9
201.11255	18.6
203.08246	36.5
209.11810	56.2
262.62646	15.3
275.10101	17.6
275.14883	20.6
280.46625	14.0
301.11838	19.7
319.12878	49.9
319.17542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91289	0.9
59.01376	100.0
60.06917	0.8
70.33893	1.7
71.01368	3.5
72.85480	0.9
73.02936	1.5
83.01370	1.7
85.02940	2.3
90.36774	1.0
99.00868	1.1
100.37082	0.8
101.02436	2.9
113.02446	2.1
116.00760	0.8
123.00869	1.7
125.02409	2.2
136.17946	1.0
137.02489	1.1
139.04047	1.0
157.05084	2.6
161.04578	4.7
167.03543	7.2
167.04813	1.4
187.03981	1.6
191.03450	1.6
215.03503	1.8
233.04529	2.3
251.05574	2.0
259.08142	3.4
291.23059	1.3
301.03400	2.1
319.04526	3.9
319.13800	2.3
319.22461	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01871	3.5
56.68512	0.8
57.03439	3.5
58.00574	0.8
59.01378	75.8
69.58221	2.8
71.01381	56.1
72.01723	0.8
72.99304	2.0
73.02941	15.1
76.84819	0.8
77.59275	0.7
81.03437	1.5
83.01389	8.4
85.02950	20.4
87.00883	2.1
89.02443	28.7
91.41591	0.9
95.01386	4.3
96.96011	14.3
97.03012	0.9
99.00886	3.7
99.04555	1.0
101.02441	42.9
113.02450	23.2
119.03498	11.9
121.02945	1.4
123.00880	4.1
124.01659	3.1
125.02466	3.3
131.03520	1.0
135.04482	1.3
137.02396	2.0
138.03183	1.5
139.04073	3.9
139.07666	5.1
141.77113	0.8
143.03445	1.9
149.02463	1.3
151.00360	1.4
154.16164	0.8
157.08719	2.9
159.02986	3.1
161.04573	9.4
166.02702	3.3
167.03487	25.8
168.03778	1.0
179.05626	1.9
180.07924	8.5
195.10272	5.4
239.09157	4.1
275.05988	1.4
275.14966	6.9
287.11319	2.8
293.89102	0.8
319.04938	15.5
319.13956	100.0
319.22418	3.1
320.05042	1.3
320.14297	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	319.1548
Annotation	Zearalanone
Peak:m/z	Relative Intensity
54.16640	0.7
55.01862	2.2
59.01368	1.4
69.30213	2.5
71.05025	1.3
74.75888	0.6
79.99675	0.6
92.92788	0.8
95.05026	1.6
98.22687	1.2
100.01134	0.7
108.02148	3.9
109.02938	2.7
121.02927	1.5
122.03730	13.1
123.04478	1.3
124.01682	0.9
135.04536	0.9
136.01636	1.6
136.05304	1.0
137.02419	1.9
149.02440	1.0
150.03200	7.9
151.04048	4.1
162.03256	1.6
163.04013	1.2
164.04758	3.9
173.43445	0.7
178.02673	1.8
178.06383	0.9
181.01418	0.9
206.02147	3.1
219.13979	0.9
235.16908	0.9
245.05611	0.8
247.13353	1.0
247.17020	1.2
248.14078	3.0
249.15039	1.1
263.16489	49.4
264.16785	2.7
275.16492	0.9
279.77444	0.8
290.15305	1.1
291.15939	15.9
291.19592	13.2
292.16537	1.2
292.19724	0.8
319.15390	100.0
319.19080	39.4
319.22714	49.5
320.15726	8.2
320.19632	7.2
320.23105	3.5
320.26303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.155
Annotation	Zearalanone
Peak:m/z	Relative Intensity
54.78094	0.3
58.60919	0.3
61.98823	0.8
67.01877	0.4
70.01713	0.5
70.02056	0.6
81.03465	0.4
92.92809	0.4
95.01385	1.2
98.21954	0.4
100.49007	0.3
106.04236	1.4
109.02956	0.6
114.03774	0.3
121.02967	1.4
122.03733	6.4
134.03687	1.0
135.04559	0.4
136.01607	0.6
137.02452	1.2
138.03110	0.4
139.49947	0.3
148.01692	0.7
149.02448	4.7
150.03220	7.7
154.02739	1.1
162.03253	1.0
163.03995	1.0
164.01149	0.4
164.04822	1.0
167.14403	1.3
168.73257	0.3
177.01926	2.4
178.02733	4.4
182.02252	1.5
191.03506	0.8
191.18100	1.0
201.31052	0.3
206.02190	4.9
219.17531	4.2
220.17876	0.4
231.13736	0.4
235.17006	6.3
236.17529	0.4
236.90900	0.4
247.13272	0.7
247.17052	2.3
263.16479	6.9
275.12915	1.3
275.16531	1.5
291.15997	6.9
291.23126	0.5
301.14410	0.6
319.15482	100.0
319.22803	3.9
320.15805	7.5
320.19183	0.4
322.39948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1908
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
55.01884	0.5
59.01373	0.4
61.98825	0.5
68.99819	0.6
71.53613	0.4
78.01127	0.6
81.03491	0.5
83.01387	1.2
85.24812	0.4
95.01390	1.0
96.02169	3.4
97.02960	0.5
107.04974	0.4
108.02151	0.9
109.02969	0.8
110.00129	0.5
111.00887	6.4
122.03758	1.7
123.00887	4.1
123.04517	1.2
124.01662	8.5
125.02446	0.5
135.04541	1.0
136.05153	0.5
137.02429	3.5
138.03224	13.2
148.05287	1.6
150.03183	0.6
151.00412	0.5
151.03992	2.7
152.01157	10.6
152.04776	3.0
153.01862	0.8
165.01924	7.1
165.05542	2.2
166.02724	5.4
172.60834	0.4
179.03441	2.7
179.07155	0.7
184.00180	0.6
185.51949	0.4
219.17487	1.7
221.08177	1.4
222.08948	1.2
228.79568	0.4
247.20660	4.6
248.21056	0.6
249.18561	0.9
260.87253	0.9
275.20154	2.5
275.23114	0.4
291.16458	0.5
291.19666	9.3
291.22839	0.7
292.16443	0.4
301.18350	0.8
301.21631	1.4
304.20374	1.9
318.21988	1.2
319.19092	100.0
319.22748	52.6
320.19446	8.0
320.23080	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	319.1912
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
59.01355	0.8
68.35032	0.4
69.65414	1.4
94.84734	0.4
95.01380	1.1
96.02171	4.7
98.22597	0.6
99.77446	0.4
108.44253	0.4
111.00887	1.0
111.40371	0.5
123.00881	2.8
124.01669	8.4
125.02370	0.6
137.02429	1.4
138.03241	1.1
152.01157	7.9
153.01714	0.9
156.35805	0.5
165.01920	9.2
165.93683	0.4
166.02669	3.1
179.03505	3.4
184.00151	1.5
203.95593	0.5
207.06656	0.7
221.08269	0.9
222.09029	1.6
291.19675	4.5
319.19122	100.0
320.19543	8.7
320.22977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2275
Annotation	Gibberosene C
Peak:m/z	Relative Intensity
55.01878	4.1
61.44416	0.5
70.29861	0.9
95.05021	2.3
95.05553	0.4
97.06576	1.4
103.80025	0.5
122.03772	0.5
136.05284	2.2
149.06096	1.8
163.07623	0.6
186.53958	0.4
210.26752	0.5
249.14958	22.8
250.15332	1.0
261.84277	0.5
300.72607	0.4
301.21729	22.5
302.22134	1.9
317.21320	2.2
319.22763	100.0
320.23108	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	17(S)-HETE
Peak:m/z	Relative Intensity
52.06701	0.3
55.01878	4.7
70.50325	0.4
70.50644	0.5
91.71799	0.3
95.05000	1.8
114.24442	0.3
122.03745	0.5
136.05295	2.0
137.06097	0.4
149.06059	2.2
163.07677	0.8
206.67763	0.4
247.17038	3.7
248.17383	0.4
249.14880	0.6
263.20261	0.5
275.20151	2.9
289.21674	0.6
293.46304	0.4
301.21729	6.5
302.22192	0.7
314.22336	0.4
317.21207	2.3
318.21417	0.5
319.22757	100.0
320.19205	0.5
320.23056	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	319.2275
Annotation	19S-HETE
Peak:m/z	Relative Intensity
50.85830	0.4
51.60740	0.4
53.81610	0.3
55.01876	6.6
57.03437	1.8
69.54427	1.2
83.05003	0.4
95.05037	3.2
97.06586	1.0
97.83514	0.4
113.09725	5.1
121.64378	0.4
125.09686	0.4
136.05264	2.1
137.06073	0.4
149.06038	0.6
149.09660	0.5
165.12836	2.6
195.81026	0.5
319.22766	100.0
320.23114	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	319.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11495	0.5
69.11649	0.5
69.62297	1.5
73.46043	0.6
121.02958	1.0
122.03732	39.2
123.04030	1.0
126.57636	0.5
135.04507	8.4
136.05287	1.9
139.30655	0.6
149.06068	3.2
163.07632	2.6
177.09213	3.0
191.10779	1.5
205.12305	2.1
206.13109	0.6
249.14938	31.5
250.15317	1.8
257.15628	0.6
287.20480	0.7
301.21713	33.2
302.22031	2.7
310.15329	0.6
317.21204	3.1
319.15292	2.4
319.22742	100.0
320.23053	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	319.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41796	1.0
53.96881	1.1
55.97589	1.0
59.01369	2.0
89.02485	1.1
106.04240	2.1
109.02882	1.3
109.38525	1.0
123.04580	1.9
135.04459	2.0
137.02426	4.7
138.03238	25.2
148.05304	4.2
151.03925	5.3
152.04810	5.8
158.57672	1.3
160.84039	1.2
165.05495	2.8
219.17462	1.9
241.01373	1.1
259.20624	4.9
277.21762	2.3
289.21567	1.5
291.19556	3.3
301.21796	2.2
304.20413	6.1
319.19165	10.7
319.22720	100.0
320.23019	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38799	0.4
61.96163	0.4
61.98814	1.2
69.39793	1.2
69.40221	1.1
93.03456	0.7
98.22577	0.9
106.04249	1.2
119.94688	0.6
134.03737	3.2
135.04561	2.2
137.02464	0.7
138.03186	0.5
147.04515	5.2
149.02414	0.9
161.06059	3.9
172.93890	0.4
203.10783	0.9
219.17587	0.7
263.55014	0.4
289.21667	1.0
301.21704	100.0
302.22046	8.8
317.21124	1.6
319.15588	0.8
319.19107	2.1
319.22739	10.9
320.23013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
66.62930	0.3
69.56127	1.5
89.67883	0.4
93.03479	0.6
98.22652	0.6
108.02147	0.4
122.03734	29.1
123.04057	0.5
135.04509	7.6
136.05263	1.4
137.02402	0.6
137.06096	0.5
149.06067	2.2
163.07661	1.7
177.09207	1.7
185.39578	0.4
191.10742	3.5
205.12317	1.6
206.48488	0.4
261.14944	1.8
319.22754	100.0
320.23087	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76772	1.8
87.48915	0.5
102.16933	0.5
107.05050	2.6
109.02969	1.1
111.04504	0.7
120.05714	0.7
122.03749	1.3
123.00804	0.8
123.04517	1.5
135.04509	4.5
137.02448	5.4
138.03224	52.8
139.03584	2.0
148.05304	10.0
149.05743	0.5
151.03987	5.7
152.04768	6.4
165.05554	2.1
179.07114	1.1
258.16269	0.6
259.20657	0.8
272.17892	0.5
286.19333	1.2
301.21686	10.4
304.20480	3.5
318.21890	1.7
319.22739	100.0
320.22961	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	319.2276
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
53.68340	0.4
69.74953	0.8
69.75333	1.1
79.57840	0.4
92.19151	0.4
99.08208	0.4
123.00967	0.4
124.01701	0.9
138.03252	0.7
152.01129	0.7
165.01952	0.8
178.22597	0.4
179.03627	0.5
235.20529	0.7
236.21114	0.4
275.23770	96.7
276.24109	7.1
277.21707	19.9
278.22015	1.2
304.70374	0.4
314.76828	0.4
319.19208	8.7
319.22711	100.0
320.19580	0.9
320.23053	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	319.2276
Annotation	2beta,3alpha-Dihydroxy-ent-7,13E-labdadien-15-al
Peak:m/z	Relative Intensity
67.51992	0.5
71.32504	0.6
78.78709	0.7
100.24050	0.5
122.03735	24.7
123.04562	4.3
136.05286	0.7
141.46417	0.7
150.03145	1.4
151.03922	0.8
160.18503	0.6
212.26930	0.6
265.17038	0.7
275.23892	0.9
291.23294	51.6
292.23624	4.6
319.22748	100.0
320.23145	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	319.2639
Annotation	Adipostatin B
Peak:m/z	Relative Intensity
52.09438	1.9
56.77374	2.1
61.98844	2.1
70.88203	3.4
77.15308	2.1
81.03445	2.3
87.73887	1.8
97.03539	2.4
138.14507	2.0
140.25494	2.0
163.39270	2.2
173.66223	2.0
184.80699	2.5
277.25320	11.4
288.82672	2.2
319.23242	4.2
319.26404	100.0
320.26700	8.9
332.74631	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	320.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.0
59.22913	1.8
71.33785	2.2
85.02942	1.8
98.22624	6.8
101.16113	2.0
106.18859	2.1
122.02094	2.2
134.09750	39.8
135.10040	2.5
140.15556	2.0
148.78606	1.9
165.65125	2.0
190.12375	100.0
191.12697	5.7
201.19081	2.0
232.17046	3.4
276.16064	23.1
302.14093	2.7
320.14987	17.2
321.16772	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	320.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37529	0.4
71.44012	0.6
80.37523	0.3
92.44064	0.4
95.01378	0.5
96.02158	1.2
108.48745	0.3
111.00835	0.5
123.00878	1.4
124.01675	3.9
125.02450	5.2
135.55664	0.4
137.02394	0.8
152.01141	4.0
153.01947	14.0
154.02655	0.9
165.01945	2.8
166.02547	1.3
167.03482	1.4
177.05544	1.0
177.09186	1.1
179.03497	1.7
180.04002	0.6
205.08736	1.2
222.08891	0.9
223.09647	0.9
251.91173	0.4
277.14398	1.4
277.21698	2.5
288.22232	0.4
291.19687	2.2
292.20016	1.0
319.19128	20.7
320.19809	100.0
321.17075	0.9
321.20544	15.0
321.24353	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	321.0615
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
57.03439	9.2
58.68736	2.1
59.01381	17.3
69.03456	2.3
70.28216	4.4
71.01385	8.7
77.59462	2.2
81.03445	11.6
83.01392	6.9
83.05029	8.1
84.94273	2.2
89.02443	8.0
93.03471	5.7
95.05034	3.8
97.02978	8.0
99.04527	6.8
101.02429	5.8
109.02944	43.4
111.00914	3.2
113.02439	3.3
118.19813	2.2
119.03489	2.7
121.02948	9.5
121.06566	3.8
123.04523	4.6
124.01659	4.8
125.02444	73.8
133.02931	4.5
137.02441	100.0
138.03258	4.7
139.04021	5.6
141.01962	4.4
143.04987	3.3
147.04480	6.7
149.02470	12.1
150.03224	3.6
151.03984	10.8
153.01926	11.1
157.06526	2.9
159.04509	3.9
161.02417	4.4
161.06018	4.9
163.07626	3.1
164.01202	4.2
165.01941	44.5
166.02669	3.6
167.03502	31.9
169.01379	2.7
171.04463	4.2
173.02434	2.9
173.06123	4.1
174.03197	3.2
175.04007	15.6
177.01875	25.4
178.02437	2.9
178.33507	2.6
179.05588	9.4
185.06142	4.4
187.04068	3.3
187.42436	2.5
189.05563	8.0
191.03511	9.7
193.05058	10.8
197.06268	3.1
198.03200	3.5
199.04080	4.4
203.07060	4.0
205.04933	4.0
207.06667	12.5
211.04044	2.6
213.05522	5.6
215.03477	7.3
216.04399	2.4
217.05064	14.5
217.17474	2.4
219.03021	5.1
229.05151	4.4
231.06636	9.6
233.04572	6.6
235.06128	12.0
239.03554	2.6
241.05066	16.5
243.02954	4.7
257.04575	9.8
259.06125	23.2
260.02271	5.9
261.03961	4.0
274.04852	8.4
275.05591	24.7
285.04034	21.3
285.09698	6.4
303.05072	45.9
321.02545	3.6
321.06076	5.9
321.15555	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	321.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.6
59.01377	100.0
71.01376	55.6
71.43742	11.0
73.02924	21.6
74.99086	23.6
75.19893	8.7
83.01364	15.4
84.66575	9.2
85.02947	21.7
87.00884	10.5
89.02442	30.8
93.03416	12.8
97.06626	14.9
99.04466	10.1
101.02446	40.6
109.02957	30.8
110.46172	8.7
113.02447	17.1
119.03529	12.0
123.04481	12.7
125.02436	41.8
137.02432	56.2
137.05826	9.2
160.04059	21.3
161.04552	25.9
165.01953	16.6
167.03555	11.8
177.01941	12.3
183.02979	19.6
187.09805	12.6
193.19191	8.8
235.10226	11.7
259.06091	21.4
289.09332	27.7
303.05090	19.1
315.33313	10.2
321.06738	23.2
321.10434	9.7
321.15475	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0825
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
50.68966	1.5
52.02038	1.2
54.60136	1.5
54.85291	1.2
57.03426	4.4
59.01374	23.8
69.03456	10.3
69.75853	5.5
71.01376	18.3
72.97505	2.2
72.99306	3.6
73.02937	19.1
73.57222	1.4
78.95919	1.7
81.03470	1.6
83.01378	3.5
85.02941	31.1
87.00872	100.0
88.04037	1.8
89.02447	5.7
95.01375	7.1
96.96004	5.7
97.02946	34.4
99.00885	8.0
101.02425	5.9
103.03993	9.8
111.00875	5.1
113.02447	10.6
115.00368	11.7
115.04027	2.8
119.03518	2.0
125.02394	2.0
127.04001	1.6
128.07176	18.2
129.01944	4.0
141.01927	6.9
142.99869	2.9
146.08189	1.4
157.01393	8.4
160.06067	1.8
164.89551	20.4
173.00952	1.9
175.02472	48.2
183.38419	1.4
192.18507	1.4
204.39966	1.7
217.03485	18.9
236.09537	1.5
240.22038	1.7
261.94693	1.6
262.07855	1.3
303.07233	5.3
317.69794	1.6
321.08188	12.0
321.11923	3.3
321.14969	2.3
322.08231	3.0
322.11511	3.6
340.53699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	86.5
61.25814	43.1
83.47206	48.1
121.89449	46.4
137.06073	49.9
265.29349	63.2
287.10883	55.1
318.60049	49.1
321.17090	100.0
321.20691	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70972	0.4
57.07150	0.4
59.01377	100.0
59.36433	0.4
60.01731	0.5
71.01376	2.4
85.02985	0.6
89.02438	4.2
98.21800	1.1
101.02458	1.2
113.02493	1.1
119.03505	1.7
119.60322	0.4
143.03525	0.5
173.97089	0.5
179.05673	0.5
183.97211	0.4
186.62921	0.4
220.52028	0.5
226.93068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
58.00585	0.6
59.01377	38.1
64.16977	0.6
71.01009	1.3
71.01379	18.6
71.45968	0.7
73.02940	1.4
79.01883	1.8
83.01397	0.9
84.02161	0.7
85.02947	3.0
87.00867	1.2
87.59392	0.6
89.02441	16.2
89.03004	0.8
95.01385	1.6
101.02431	12.3
111.08154	0.7
113.02448	6.8
113.09724	21.7
114.10008	1.0
119.03501	6.6
125.02477	0.6
131.72044	0.6
141.01929	1.3
141.09215	3.6
143.03448	0.7
143.10756	1.5
152.65015	0.6
153.01949	1.3
155.10791	2.2
157.08746	0.7
157.36865	0.7
159.10257	56.9
160.10611	2.3
162.47162	0.7
178.99864	1.7
179.05627	1.2
201.11258	1.8
235.07658	0.8
235.37091	0.7
303.78433	0.6
307.06192	0.8
316.44501	0.6
321.15524	100.0
322.08417	1.0
322.15891	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
57.86978	0.8
59.01377	100.0
61.89899	0.8
71.01379	41.8
72.99314	2.2
73.02951	1.7
73.23370	0.9
75.30427	0.9
83.01395	2.9
85.02942	8.4
89.02442	39.8
90.02803	1.1
95.01398	3.7
99.74227	1.0
101.02438	27.6
110.74674	0.8
113.02452	15.5
113.09734	1.4
119.03499	18.8
131.03563	1.5
141.09222	13.7
143.03523	1.6
149.04549	1.0
159.10312	5.2
196.27635	1.0
249.73444	0.9
259.09543	1.3
321.15536	99.9
322.15884	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03441	0.8
58.00589	0.5
59.01376	52.8
60.01705	0.4
71.01379	21.3
71.42593	0.5
72.99291	0.8
73.02941	1.6
74.70680	0.4
75.22238	0.3
83.01357	2.0
85.02944	5.2
87.00875	0.5
89.02439	16.8
95.01379	1.8
99.00903	0.5
99.08147	0.6
101.02438	12.8
102.02799	0.4
113.02451	6.9
113.03223	0.4
113.09714	0.5
119.03499	6.3
131.94725	0.3
135.16269	0.3
141.09215	12.3
142.09604	0.4
159.10262	10.7
165.23909	0.4
187.22040	0.3
207.26053	0.3
271.40567	0.4
303.14490	0.5
321.15515	100.0
322.15878	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41338	0.8
55.01873	0.9
58.00589	1.9
59.01378	100.0
60.01692	0.8
61.24409	0.8
62.21419	0.7
71.01379	50.1
72.86590	0.7
72.99296	1.8
73.02927	0.9
79.01885	2.0
79.79449	0.9
83.01399	1.7
84.09853	0.7
85.02953	8.4
86.31391	0.7
87.00864	2.8
89.02442	71.7
89.63960	0.7
90.02781	0.8
95.01393	3.3
96.73386	0.7
101.02446	27.9
113.02450	19.3
119.03508	28.0
120.99679	3.2
131.03485	2.1
138.88634	0.9
141.01955	2.6
141.09218	38.5
143.03508	4.3
149.04581	2.2
153.01981	0.9
161.04570	3.2
169.48985	0.9
177.05637	1.0
178.99905	2.9
179.05594	9.7
205.05367	0.8
321.15735	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09399	0.4
55.01876	0.9
57.03454	0.9
59.01378	46.7
59.73449	0.5
64.18627	0.4
71.01380	21.7
72.99292	0.7
73.02943	2.2
79.33175	0.4
83.01379	1.8
83.78034	0.5
85.02952	4.8
89.02444	17.2
92.83393	0.4
95.01385	1.6
98.21864	1.2
99.00866	0.8
99.08167	0.6
101.01776	1.0
101.02444	14.8
113.02452	7.9
113.09736	0.5
116.05054	1.0
119.03500	7.2
122.29462	0.4
141.09219	10.6
156.88197	0.5
159.10260	10.5
160.04092	2.4
202.05104	1.0
262.07196	1.5
303.14404	0.9
321.15527	100.0
322.09683	2.2
322.15771	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	321.1706
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
50.99402	0.4
55.01879	4.1
56.54296	0.5
59.01358	1.3
61.98830	0.8
67.01899	0.6
68.76408	0.6
69.96487	1.6
76.63779	0.4
83.05038	0.6
95.01411	2.1
95.05029	2.9
96.02161	4.9
97.06600	0.8
99.08160	2.3
99.26434	0.5
109.02972	1.2
111.00870	1.8
113.09744	1.0
118.94228	0.5
122.03786	0.6
123.00877	10.6
124.01658	12.2
135.04541	2.0
136.05270	1.4
137.02431	10.4
138.88429	0.5
139.04034	0.6
149.06105	0.7
151.00385	1.7
152.01144	9.7
162.03252	2.1
163.04004	5.2
165.01921	13.8
166.02524	0.7
167.03496	10.1
176.56906	0.4
177.05553	4.6
179.03444	0.5
180.55557	0.5
184.00150	1.1
214.99913	0.5
237.14977	0.8
249.14999	1.0
278.15088	0.5
289.14334	3.9
293.17697	0.5
303.16150	1.0
303.19781	0.6
306.14780	2.5
315.51334	0.6
319.22766	4.3
321.17130	51.9
321.20786	8.4
321.24277	100.0
322.17456	3.1
322.24628	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	321.1706
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.08791	1.1
59.01382	3.3
71.43686	1.2
96.00522	1.1
122.03737	2.2
123.00905	10.8
124.00831	1.7
124.01669	19.8
190.82539	1.1
195.17522	11.5
219.17491	2.1
221.19069	16.9
249.22191	2.4
251.16565	1.6
265.18073	79.4
266.18488	4.1
277.18280	1.2
277.21725	6.7
279.15909	1.9
280.94397	1.1
293.17551	14.7
306.18326	1.3
321.17087	100.0
321.20642	10.2
321.24405	11.3
322.17355	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	321.2067
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
59.15530	0.4
69.60115	1.5
71.71824	0.4
78.36653	0.4
95.01381	1.3
96.02168	6.5
98.22058	0.9
123.00892	1.9
124.01654	9.7
138.03152	0.6
152.01134	8.3
153.01828	0.5
165.01909	1.3
166.02716	2.6
195.98546	0.4
223.20737	0.4
243.14516	0.4
293.21246	5.7
301.93542	0.4
321.20679	100.0
322.20990	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	321.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
66.32630	0.4
69.45089	0.9
75.21376	0.5
90.95849	0.4
95.01391	1.5
96.02158	4.9
96.96027	1.1
98.22687	0.5
103.24124	0.4
106.70045	0.5
111.00884	1.3
123.00870	2.9
124.01656	11.3
128.01190	0.5
139.00406	0.5
143.95612	0.4
152.01147	9.1
152.02356	0.7
153.01863	0.4
154.68069	0.5
165.01927	2.0
166.02692	2.9
184.00072	1.1
234.15819	0.5
249.22191	0.4
293.21170	5.6
294.21494	0.7
321.20679	100.0
322.21011	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	321.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.5
71.07223	0.5
72.99289	1.5
83.13683	0.4
84.02177	1.8
97.25009	0.4
99.00885	4.0
109.02943	0.4
112.01674	0.9
125.02436	1.5
216.98376	0.4
221.19112	1.2
223.20650	18.1
224.20999	0.9
233.19247	0.6
249.22266	0.5
251.17517	0.5
251.20131	11.3
252.20541	0.7
277.21780	0.9
279.19629	26.7
280.20010	2.0
293.21362	0.7
310.30130	0.4
321.20682	100.0
322.21011	8.9
327.64325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.207
Annotation	Rapanone
Peak:m/z	Relative Intensity
57.03372	0.7
59.01297	0.8
61.98759	0.4
67.01819	0.4
69.03365	0.4
70.93491	0.5
71.13443	0.4
73.07832	0.4
76.40373	0.4
79.98952	0.9
85.02853	1.2
91.56017	0.4
95.01265	3.6
96.99244	0.9
111.00880	9.9
111.01559	0.5
113.02439	5.5
125.27749	0.4
131.16322	0.4
139.00409	2.3
233.18993	1.2
245.18896	0.7
249.22131	1.2
251.20042	0.4
261.18539	1.9
262.19250	0.6
263.12750	0.6
277.21725	3.0
278.18967	3.6
279.19571	0.5
293.21179	1.4
306.18347	100.0
307.18701	8.2
321.20697	38.8
321.24066	2.6
322.17587	0.4
322.21082	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	321.2069
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01876	0.6
55.18420	0.4
57.03448	1.1
59.01371	1.5
61.98824	0.9
69.03406	0.6
69.19819	2.5
70.40508	0.4
71.05015	0.9
81.03473	0.6
83.05079	0.5
85.30398	0.4
93.03471	0.5
95.01378	0.7
95.05009	0.7
96.02166	1.5
97.02966	0.7
108.02158	3.3
109.02963	2.1
110.03744	1.2
113.09708	2.3
121.02965	1.6
122.03764	0.7
123.00864	2.3
123.04516	1.8
124.01658	27.0
125.02459	0.7
134.03746	2.7
137.02435	5.8
138.03232	7.0
141.01909	0.5
151.03944	1.1
152.01114	1.6
164.83710	0.5
166.02699	0.6
177.09279	0.6
198.42726	0.4
201.33481	0.4
265.16995	0.6
278.17612	1.2
279.19604	0.6
293.17560	1.4
293.21234	5.2
294.21378	0.5
303.19598	2.0
320.20132	0.7
321.17032	11.3
321.20663	100.0
321.24191	9.9
322.17514	0.5
322.21039	8.4
322.24506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2069
Annotation	3alpha-Hydroxyayapanonic acid
Peak:m/z	Relative Intensity
57.03442	3.5
59.01373	4.6
69.03453	2.1
69.26548	3.9
71.05019	3.7
83.05015	3.9
85.02937	2.0
96.02184	1.1
96.76720	0.8
98.03742	1.0
98.21776	1.7
111.00903	1.7
124.01636	1.3
124.05290	2.9
136.62103	0.8
139.03554	1.1
152.01151	0.8
198.84938	0.8
217.02917	0.9
249.22224	41.7
250.22519	3.3
259.20706	1.2
277.21713	100.0
278.22040	8.8
302.84949	0.9
305.19525	1.0
321.20673	12.0
321.23260	4.5
322.20947	1.3
328.15146	0.9
342.02170	0.9
342.91681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90145	0.4
54.49560	0.4
55.07692	0.5
69.47695	2.1
70.89606	0.4
95.01398	1.3
96.02167	5.3
98.21938	1.0
111.00856	0.7
123.00910	1.8
124.01669	7.9
125.02011	0.6
152.01138	8.2
163.54747	0.5
165.01947	1.0
165.05846	0.5
166.02724	2.3
182.76672	0.5
223.20735	0.6
293.21161	4.4
303.19901	0.7
321.20685	100.0
322.21075	9.4
342.43216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.207
Annotation	Rapanone
Peak:m/z	Relative Intensity
57.03416	1.8
59.01369	3.9
67.72750	1.5
70.98365	2.1
71.05021	100.0
71.66957	1.5
73.02966	2.3
80.02670	1.8
81.03462	7.4
83.05027	2.3
84.71673	1.4
95.05018	2.9
97.06559	4.4
109.06599	2.4
111.00878	1.8
123.08199	1.6
127.07598	1.6
131.30669	1.3
137.06126	2.5
137.74300	1.9
139.00305	2.6
149.09654	2.0
151.11243	10.0
191.14447	4.1
193.12282	3.5
210.09853	1.5
217.12383	2.6
225.14897	5.7
233.15506	10.3
235.13412	2.0
237.15005	2.2
245.19066	1.7
249.14970	11.8
265.18005	5.3
289.18039	7.4
302.57397	1.7
306.18338	13.9
321.17105	7.2
321.20624	80.9
322.17548	1.7
322.20914	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	321.2429
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
59.01374	0.4
59.15213	0.3
71.38049	0.3
77.10128	0.3
79.49426	0.5
91.39698	0.3
109.02943	0.9
123.00884	1.8
123.04449	0.4
124.01632	0.4
135.08150	0.4
136.05272	1.1
137.02448	7.7
138.03241	2.8
141.01695	0.4
147.04512	1.3
148.05299	0.5
151.04021	2.1
153.02022	0.4
165.05580	0.4
166.06409	0.8
176.08441	1.0
178.48920	0.3
179.07153	1.0
180.07933	0.6
180.16570	0.4
181.00104	0.4
247.20622	0.5
253.21574	0.4
259.24216	0.8
265.25229	0.3
275.19974	0.3
275.23819	1.5
277.18088	9.2
277.21716	16.0
278.18881	10.7
278.22000	1.5
279.19330	0.7
279.92142	0.4
288.20975	0.4
291.23077	0.4
293.17584	1.5
293.24826	2.8
303.23267	3.4
321.20959	4.5
321.24310	100.0
322.21063	0.6
322.24625	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	321.2432
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
51.00542	0.6
55.01880	4.4
59.01362	1.7
61.98818	2.0
65.13486	0.6
69.33881	2.0
69.34280	1.4
69.89078	0.6
76.41756	0.6
95.05003	1.9
96.02158	0.9
97.06599	1.2
98.22649	0.9
98.33155	0.7
99.08129	3.2
111.39162	0.6
113.09727	1.5
115.00339	0.7
118.94272	0.7
123.00877	1.2
124.01614	1.8
135.04498	0.7
136.05254	1.2
137.02365	0.7
141.01671	0.9
152.01154	1.9
154.05417	0.6
155.22952	0.7
159.17059	0.7
161.19879	0.7
165.01851	0.9
166.02699	0.8
262.85437	0.7
266.92639	0.8
283.12460	1.0
293.21173	1.7
319.22745	4.4
321.16565	2.3
321.20685	14.8
321.24271	100.0
322.21231	1.1
322.24670	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	321.2432
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
55.01865	0.8
59.01367	0.7
62.93121	0.3
65.00314	0.6
70.53091	0.5
81.03455	27.5
82.03782	0.5
85.49258	0.4
86.92925	0.4
95.01396	0.6
95.05033	1.5
96.02175	0.7
97.96104	0.4
107.05029	0.6
118.00245	0.4
122.03733	6.5
123.00901	2.2
124.01630	1.3
134.94972	0.3
135.04555	2.0
137.06079	100.0
138.03209	0.7
138.06421	3.7
151.03995	0.6
152.01138	0.7
173.31805	0.4
192.70784	0.4
223.20700	0.4
235.13368	0.7
277.21713	1.0
319.22687	1.0
321.16891	1.2
321.20697	19.3
321.24344	42.5
322.20935	2.1
322.24719	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	321.2432
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
55.01882	4.9
59.01369	0.7
60.58468	0.3
61.98840	0.5
70.47942	0.4
81.60296	0.3
95.05034	2.7
105.15099	0.3
123.00890	0.4
124.01660	0.4
136.05276	1.4
138.03201	0.6
141.36798	0.3
149.06142	0.3
152.01140	0.4
193.33498	0.3
199.81815	0.3
219.17622	0.3
265.21628	0.6
266.92883	0.3
277.14490	0.4
293.17944	0.3
293.21320	0.3
303.23199	0.3
319.22772	3.0
320.23013	0.3
321.16849	3.2
321.21033	4.3
321.24301	100.0
322.17480	0.5
322.20944	0.7
322.24670	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	321.2432
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
55.01878	4.5
55.02137	0.2
59.01380	0.2
81.03411	0.3
83.05009	0.3
83.77509	0.2
85.06594	2.2
85.94617	0.2
86.36361	0.2
95.05016	2.4
97.06586	0.4
97.41394	0.2
99.08148	1.1
102.51662	0.2
109.90061	0.2
122.03727	0.3
136.05283	1.5
137.05901	0.2
142.50761	0.2
149.06110	0.3
163.14940	0.2
186.85559	0.2
263.16431	0.4
265.21713	0.8
303.23276	0.5
319.22763	4.7
320.23099	0.2
321.24313	100.0
322.20828	0.5
322.24655	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	321.2434
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
51.96946	1.1
59.01382	1.8
61.98814	2.0
77.41341	1.0
80.92053	0.9
83.71754	1.0
92.20422	1.1
93.03501	1.2
96.02178	3.8
106.04224	1.6
107.05044	3.4
111.00861	1.5
111.04572	1.1
122.03799	1.2
123.00930	1.5
124.01673	6.4
128.01160	1.1
135.04530	6.4
137.02432	5.2
138.03226	59.4
139.03564	1.9
148.05299	15.0
151.04022	1.9
152.01151	5.5
152.04816	1.2
165.01822	1.0
166.02728	2.4
223.20377	1.0
232.14737	1.1
241.54601	1.0
261.22287	1.8
265.21716	1.4
275.23776	3.1
277.21860	1.9
277.25317	1.7
277.81305	1.0
279.23285	1.9
281.03778	1.2
288.20935	3.0
293.21219	3.8
293.24527	1.6
303.20004	1.7
303.23270	19.9
304.23541	1.3
306.21909	4.3
319.56879	1.2
320.23651	1.1
321.20642	85.8
321.24319	100.0
322.20981	8.8
322.24677	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	322.0932
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
55.01881	1.1
57.03457	1.5
58.00583	2.2
59.01378	100.0
60.01715	1.3
62.35944	0.7
68.55751	0.7
71.01379	42.8
72.99310	1.3
73.02948	0.7
81.93307	0.7
83.01414	1.6
85.02946	6.4
87.00885	1.8
89.02442	45.7
91.45922	0.8
95.01365	3.6
101.02444	24.0
113.02448	16.9
116.05064	30.0
119.03500	17.0
126.65831	0.7
131.03534	2.0
143.03499	2.9
149.04541	1.2
159.03052	1.0
160.04044	56.4
161.04478	4.1
174.05626	1.3
179.05676	3.9
202.05087	23.0
203.05583	0.8
225.04089	1.0
232.06096	4.1
262.07187	36.0
263.07449	1.9
292.19727	0.8
322.09314	60.9
323.09622	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	322.1659
Annotation	Alloxydim
Peak:m/z	Relative Intensity
55.06541	0.8
59.01366	2.5
61.33069	0.7
61.98829	1.0
63.83020	0.9
69.10073	1.9
69.10480	3.3
88.52660	0.8
89.02474	0.7
92.90942	0.8
95.01400	1.4
96.95974	0.9
109.01682	7.2
113.81380	0.8
122.02515	1.1
123.00878	9.5
123.03263	1.6
137.01149	1.2
150.01985	6.8
151.02713	1.5
163.09375	0.8
164.03586	2.4
165.04295	1.2
167.14400	2.8
176.13190	0.8
176.14442	5.1
192.17502	3.2
192.66855	0.9
216.17592	2.2
222.14980	35.2
223.13315	1.2
223.15305	2.0
236.16554	17.4
237.14893	1.4
250.14342	1.1
250.18051	1.7
252.16023	5.1
258.12057	0.9
264.16068	4.5
266.13885	2.0
278.17694	6.2
322.16580	100.0
323.16772	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	322.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15102	2.4
65.39192	1.9
69.59879	9.8
70.42568	2.1
77.81141	2.2
81.02220	2.1
107.03761	23.7
107.52396	2.4
121.05328	6.6
124.49499	2.2
128.92409	2.5
136.26143	2.3
190.15976	3.2
191.14342	2.7
208.17052	96.2
209.17418	6.8
231.04778	2.4
234.14969	3.8
234.18631	60.7
235.18987	3.3
244.03329	2.7
278.17612	100.0
279.17944	7.2
279.22852	2.5
281.13873	4.2
291.19797	3.6
305.21298	24.1
322.16632	35.0
322.20483	4.9
323.18762	5.7
323.22220	31.6
337.31403	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	322.2024
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
59.01380	5.3
61.98821	6.2
76.46460	2.8
85.98544	3.8
105.87494	2.9
118.38499	3.1
128.10831	7.4
130.08740	100.0
152.05084	4.1
181.60703	3.2
253.28204	5.0
322.20181	43.9
323.20581	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	322.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83669	13.3
57.40416	10.7
69.65195	27.5
69.65578	26.4
88.42344	11.7
148.61241	11.6
154.81316	10.7
185.13239	10.1
279.23315	50.0
318.18082	10.9
322.21140	100.0
342.18326	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	323.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
59.01384	1.3
59.45169	0.2
79.95731	1.2
85.02940	0.6
96.96010	100.0
97.95915	0.2
101.02429	0.2
103.04018	0.2
114.56957	0.1
129.01949	2.2
134.03757	0.2
139.11320	0.2
147.02998	2.6
156.09061	0.2
183.10332	0.4
193.05060	0.2
243.12303	0.5
291.34167	0.2
323.08035	15.9
324.08383	0.9
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
54.78903	1.4
55.01870	2.3
57.03442	2.1
59.01377	100.0
60.48097	1.3
69.03449	6.8
69.06088	8.9
69.06487	2.6
71.01380	67.2
72.00876	1.4
72.99299	4.1
73.02942	9.1
76.82921	1.4
81.03440	2.8
83.01374	3.9
85.02939	14.6
87.00863	5.3
89.02442	57.4
95.01379	4.8
97.02960	7.1
98.22664	3.3
99.00890	2.6
101.02442	35.8
111.00874	1.6
113.02435	22.4
119.03495	21.2
125.02442	18.8
131.03476	4.4
143.03496	4.0
145.07719	4.5
149.04492	1.6
161.04532	6.1
179.05638	3.5
221.06633	6.4
221.08461	1.4
245.06596	1.5
263.07755	2.7
323.14838	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	323.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94052	0.7
51.60789	0.7
59.01367	1.7
61.15606	0.7
68.59758	0.7
69.73557	1.3
77.73507	0.7
78.42072	0.8
96.02185	1.4
114.06747	0.7
123.00818	1.7
124.01656	5.6
127.76315	0.7
152.01144	6.3
165.01904	1.0
166.02744	1.7
211.39549	0.8
237.14958	5.6
239.92378	0.7
265.14426	100.0
266.14856	6.4
323.10074	3.0
323.21658	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	323.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
59.01376	29.5
71.01362	3.3
73.48652	1.0
89.02415	4.6
95.05005	3.0
96.04535	4.5
97.06584	8.2
99.00855	1.2
100.39099	1.0
101.02431	2.5
107.04983	1.0
107.91835	1.0
109.06576	1.3
111.00874	12.4
119.03457	1.6
124.98807	17.9
125.02421	1.8
125.99607	1.2
127.00395	1.6
137.06113	8.9
137.99603	5.1
139.00372	90.6
140.00729	2.0
153.05536	3.1
155.07101	1.3
160.06406	7.1
161.07202	29.5
162.05516	1.7
163.03987	5.9
164.04739	4.4
165.05537	1.4
175.08754	16.5
176.09140	1.3
179.03407	1.2
181.05037	7.8
182.05717	2.0
182.08168	2.1
189.06688	43.5
190.06964	2.1
196.17053	1.2
197.04570	6.2
203.08241	13.7
203.11630	1.0
225.04034	100.0
226.04799	32.5
241.03629	5.0
277.63876	1.2
305.10297	3.0
323.11420	48.7
323.19327	1.5
324.11615	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	323.1245
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
59.01377	59.6
60.01722	0.9
65.41959	0.4
69.30476	2.4
69.50912	0.5
71.01378	9.4
72.99311	0.7
83.01377	0.5
89.02438	8.7
93.74982	0.5
94.30254	0.4
96.95964	0.4
101.02441	7.8
119.03500	1.6
145.07704	1.6
146.04922	1.4
160.06413	14.6
161.07199	65.4
162.07590	2.5
173.07198	0.5
175.08755	44.5
176.09093	1.7
185.10799	0.5
187.08774	1.0
189.06691	100.0
190.07001	4.6
201.10355	0.6
203.08252	37.6
204.08548	2.2
229.09842	1.5
233.04486	1.7
236.57974	0.4
261.03961	0.6
272.57864	0.5
277.12015	0.5
279.04980	0.6
284.61356	0.5
295.12875	0.8
305.03018	1.4
305.11475	2.3
312.27399	0.4
323.12436	37.5
324.12689	2.4
334.66766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34355	0.5
52.70387	0.6
59.01378	100.0
59.12308	0.6
60.01725	0.6
60.07856	0.5
61.73475	0.6
64.15106	0.6
69.58727	2.0
71.01378	15.2
85.02951	3.1
85.95444	0.6
89.02443	22.1
95.01425	0.9
101.02439	10.8
113.02435	8.6
119.03500	12.6
121.06767	0.6
125.06064	0.7
131.03535	1.0
139.41281	0.6
143.03525	2.6
143.07129	4.0
149.04608	0.7
161.04596	2.2
179.05605	6.0
224.86629	0.6
288.28293	0.6
323.13458	61.3
324.13901	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42585	0.7
57.03454	0.8
57.93002	0.8
59.01377	100.0
60.01694	0.9
69.78662	2.6
71.01379	38.3
72.99322	1.3
83.01385	1.6
85.02944	8.3
89.02444	45.0
95.01373	2.9
99.08145	0.9
101.02444	25.0
103.77446	0.8
113.02449	15.4
119.03495	22.1
131.03499	0.9
143.03500	1.6
144.31514	0.7
161.04568	1.9
161.08153	0.9
179.05585	1.9
205.05013	1.5
233.04567	2.5
235.06056	1.1
261.04135	1.2
305.03067	2.1
323.13443	89.6
324.13733	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60699	0.9
54.04213	0.8
57.03455	1.0
58.00586	1.1
58.60314	0.7
59.01376	100.0
60.01685	1.1
61.54438	0.7
62.67873	0.7
69.88464	1.6
69.88789	1.0
71.01379	34.4
73.02951	1.2
79.11321	0.8
83.01383	2.4
85.02939	7.1
87.00865	1.0
89.02441	48.8
95.01389	3.1
99.08134	0.9
101.02436	24.6
113.02442	16.4
119.03500	18.8
120.03867	0.9
131.03453	1.7
141.08966	0.9
143.03502	1.7
143.07205	1.2
161.04451	1.2
161.08168	0.9
179.05597	3.0
233.04501	2.5
261.04077	0.9
262.37689	0.8
282.53540	0.8
305.02991	0.9
323.13437	86.4
324.13895	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01707	0.6
61.08549	0.5
69.92970	1.2
71.01391	3.6
85.02981	0.6
89.02445	4.8
98.21928	0.8
101.02456	2.0
113.02461	1.8
119.03557	1.8
147.22910	0.5
161.04594	1.0
163.44614	0.5
170.13792	0.5
179.05704	1.4
198.02753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1497
Annotation	CJ 12373
Peak:m/z	Relative Intensity
54.99720	1.6
59.01369	5.1
61.98846	1.6
80.02670	2.0
82.14865	1.6
84.99335	2.8
96.48529	1.5
96.99312	17.8
110.00128	3.0
112.98798	3.1
121.02876	1.5
123.00896	2.1
124.98798	16.8
125.99583	62.2
133.06688	1.6
137.99594	13.2
139.00374	1.7
140.98264	8.1
151.00360	3.3
152.01161	5.4
193.15959	3.0
195.17549	15.0
217.15918	6.1
225.51128	1.5
249.14888	3.7
251.16606	8.3
261.12604	1.8
277.05817	1.9
277.14453	8.8
279.16074	100.0
280.16418	5.8
283.25745	1.9
305.13943	5.3
305.21112	5.7
321.73096	1.5
323.12851	4.8
323.18600	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	323.1498
Annotation	CJ 12373
Peak:m/z	Relative Intensity
52.13005	0.9
59.01370	2.9
70.32691	1.9
78.01102	10.6
96.96048	0.9
96.99303	1.5
97.06577	0.9
111.00848	1.1
119.73383	0.8
124.98783	1.4
125.99602	9.4
137.99602	1.6
139.00359	6.0
140.98251	1.2
193.15997	1.7
195.17554	1.6
217.15970	15.9
217.78874	0.9
223.17154	1.0
249.14977	2.6
261.95358	1.1
277.14423	7.3
279.15997	100.0
280.16318	6.0
291.19534	0.9
305.13892	4.1
305.21103	2.5
323.14951	1.5
323.18567	1.3
323.22171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03434	14.4
59.01379	43.1
60.58805	7.5
69.54720	26.5
69.55052	9.1
71.05014	81.7
81.03469	12.7
82.32339	7.1
83.05009	8.5
89.66857	7.3
95.05036	33.7
109.06599	44.3
118.30909	7.2
121.06561	15.1
123.04501	13.7
125.09705	10.1
135.08174	19.9
136.05353	8.6
137.09753	7.9
149.75304	7.1
153.09169	14.6
163.70929	7.6
165.09190	20.6
181.91866	8.7
187.31859	8.5
189.12851	38.8
193.12367	10.5
205.15981	17.1
218.54672	7.4
233.11920	9.6
237.14978	32.3
243.17540	23.8
249.14903	25.5
251.02765	7.7
279.19501	11.6
287.16479	68.2
305.17615	50.0
305.21237	100.0
323.18646	17.6
323.22260	58.4
324.22043	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	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
54.05268	7.0
57.03436	8.0
59.01369	27.6
70.53196	16.0
71.05008	19.2
76.67912	7.1
81.03454	12.9
83.01369	16.8
83.05027	8.7
84.96722	6.5
95.05019	22.9
96.39991	6.7
97.06583	22.8
116.92833	7.9
121.02969	10.9
124.97571	8.1
125.09726	24.3
135.08163	10.3
163.11351	8.4
181.12320	18.1
185.11827	23.7
203.14482	9.8
209.11800	100.0
225.11421	12.2
237.15015	23.7
265.14420	16.6
287.16525	14.9
305.17566	25.6
323.18707	42.3
324.21945	9.6
342.85516	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	323.186
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.11792	1.5
54.86757	1.4
57.03450	2.9
59.01379	13.5
60.10857	1.4
61.98823	3.2
63.57711	1.4
64.21554	1.4
69.15368	9.5
73.72080	1.4
80.02678	3.5
81.03457	4.0
83.01358	1.8
83.05023	5.2
91.05550	3.6
95.05031	5.0
97.02928	4.1
97.06586	65.8
98.22605	3.6
106.04253	3.2
109.06584	49.9
110.03724	5.1
117.07119	4.3
119.04971	3.5
120.05836	2.0
121.06543	2.5
123.08129	6.1
125.09712	48.5
135.04662	1.7
135.08153	32.4
146.61075	1.5
151.07564	1.9
153.09201	4.9
161.06079	34.8
163.11290	17.0
171.10231	2.4
181.12369	8.1
185.11816	4.4
207.10229	49.2
209.11810	4.3
217.15833	3.1
223.13354	4.5
225.11317	48.8
226.11806	4.4
231.97162	1.7
243.17615	2.2
261.14880	7.9
261.18542	4.8
269.15594	4.7
277.18130	6.5
279.15997	65.0
279.19165	3.3
280.16330	2.9
287.16513	27.4
295.19077	1.6
305.17545	100.0
306.17920	7.1
323.18573	9.6
323.21896	2.0
327.59875	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	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92970	0.2
59.01317	0.2
65.67425	0.2
69.65510	0.3
69.65865	0.6
71.23466	0.2
83.03918	0.2
89.17960	0.2
93.32064	0.2
96.24213	0.2
101.90044	0.2
124.01624	0.5
125.02428	1.0
136.01614	0.2
152.01125	0.7
153.01936	6.9
154.02687	1.3
154.53630	0.2
167.03545	0.9
237.14980	0.3
265.14444	19.9
266.15204	100.0
267.15549	6.3
308.16278	10.1
309.16690	0.8
323.18631	13.8
324.18863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	TOFA
Peak:m/z	Relative Intensity
59.01365	10.7
69.03422	6.2
71.45665	7.6
74.69763	5.1
83.78043	5.5
102.81481	5.2
117.08711	5.1
141.14261	6.0
153.01894	8.7
170.37872	5.9
197.80165	5.9
251.23796	66.3
257.28827	6.2
279.23306	100.0
280.23557	7.7
322.21109	11.5
323.22000	48.6
323.25638	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03429	0.4
59.01377	3.2
71.39783	0.4
72.02158	0.8
76.07359	0.3
83.05008	0.4
86.62025	0.3
98.03729	6.9
107.01232	0.3
109.90931	0.3
109.99893	0.3
124.01665	0.5
183.29382	0.3
210.36087	0.3
223.20439	0.3
224.89827	0.3
235.20647	2.5
241.18100	0.5
251.23921	0.9
253.21776	1.5
261.22159	0.6
265.14478	1.7
279.23273	100.0
280.23608	7.4
285.21100	0.3
291.16058	0.4
305.21341	1.0
323.18579	1.2
323.22211	0.6
339.26657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.97126	1.9
59.01379	5.1
61.98847	2.3
69.94371	5.8
74.18713	2.0
77.12763	1.8
83.64299	1.9
96.96009	6.1
124.63666	1.8
138.03148	2.1
141.01924	11.0
141.09189	1.9
145.71642	2.1
165.01947	2.6
199.21735	2.0
251.16603	3.5
261.22153	3.7
265.14642	5.0
278.17590	2.3
279.15643	13.7
281.13901	4.2
305.21207	100.0
306.21542	7.1
323.18445	5.3
323.22116	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	323.2224
Annotation	TOFA
Peak:m/z	Relative Intensity
55.40281	0.7
59.01378	0.9
64.34564	0.6
71.24000	0.7
77.16243	0.7
96.11634	0.6
106.88139	0.7
265.14471	4.6
267.11368	0.7
279.23276	100.0
280.23618	7.4
323.22226	48.3
324.22586	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	324.1299
Annotation	4-O-|A-D-Glucopyranosylmoranoline
Peak:m/z	Relative Intensity
57.03466	1.3
59.01374	48.7
60.01724	1.5
69.03456	1.3
70.36143	2.1
71.01006	2.2
71.01380	27.8
72.00886	1.4
73.02923	3.2
80.04970	1.1
85.02955	2.8
87.00890	1.6
88.86788	1.1
88.87399	1.2
89.02438	35.5
95.01417	1.2
101.02446	7.1
108.82121	1.2
110.02589	1.3
113.02450	8.1
115.00328	1.6
117.01897	1.1
119.03497	5.7
125.02443	4.4
128.03490	3.5
130.05093	25.9
131.03526	1.6
133.01410	3.2
133.05020	2.8
142.05086	5.1
143.03529	1.9
144.06659	100.0
145.07088	1.7
161.04536	3.4
169.01385	1.2
179.05574	10.4
324.13644	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	324.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11655	5.1
61.98821	10.7
66.12862	5.0
68.57059	4.9
77.17611	5.9
149.09601	6.6
183.01180	37.9
229.24037	6.4
237.59029	6.3
281.17563	13.0
297.95572	5.9
325.18381	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	325.0926
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
59.01372	5.8
63.76313	0.5
69.34488	2.3
71.01366	4.7
71.05013	1.8
72.99297	4.8
73.02938	4.7
75.00867	31.9
81.03434	3.1
87.00866	3.5
87.04514	0.9
89.02473	0.7
93.08620	0.5
96.95990	0.8
99.00877	10.9
99.04504	4.6
100.00403	2.0
107.04999	0.5
112.98779	0.7
113.02365	0.6
114.08372	0.5
117.03433	1.9
119.05023	53.6
120.05375	1.6
125.02429	1.7
130.05119	1.0
136.68864	0.6
139.07643	0.6
143.03490	9.1
145.02945	5.9
152.99591	1.0
159.99399	0.6
161.04556	13.1
163.03999	57.0
164.04347	1.7
173.08157	0.8
179.05605	100.0
180.05960	2.5
183.06677	1.0
206.04564	6.5
232.67021	0.7
295.04617	1.1
325.09299	13.0
325.12866	1.1
326.10034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.55729	0.4
56.06782	0.3
59.01364	0.7
69.52761	1.5
77.04067	0.4
83.14894	0.3
86.76357	0.4
93.03437	0.4
95.09394	0.3
97.02918	0.8
109.02968	3.0
116.14235	0.4
117.03486	0.7
119.05026	100.0
120.05359	3.7
123.04501	1.9
125.02428	1.5
137.02408	0.9
144.02287	0.3
145.02966	1.7
146.03310	0.4
149.02386	0.4
151.04005	1.2
154.52521	0.4
161.06047	0.6
161.67729	0.3
163.04008	89.8
164.04350	4.5
165.01962	0.5
171.41788	0.4
179.03548	0.7
182.58626	0.3
187.04057	0.5
203.07098	1.2
205.05013	1.5
218.94835	0.4
221.08249	0.4
245.08142	1.7
289.07184	12.4
290.07327	0.6
325.09213	0.8
346.03986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
54.88101	0.4
59.01385	2.5
69.48747	1.6
69.49068	0.4
81.28284	0.4
83.05016	0.4
93.03483	0.5
109.02918	0.5
117.03483	2.3
117.04243	0.4
119.05026	100.0
120.05383	2.6
145.02953	16.7
145.04099	0.8
155.61623	0.4
163.04008	88.3
164.04353	3.4
187.03970	0.8
205.05083	0.5
289.07129	1.0
325.09094	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	325.0927
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
54.63163	0.2
59.01379	6.9
71.01376	2.6
73.02958	0.2
83.05032	0.6
84.44832	0.3
85.02943	0.6
87.00909	0.3
89.02440	2.1
91.22399	0.2
93.02931	0.2
93.99294	0.2
95.01402	0.4
101.02450	1.1
113.02448	1.1
117.03466	20.5
118.03778	0.5
119.03506	0.7
119.05028	5.8
125.02386	0.2
125.53306	0.2
131.05066	0.2
133.06596	0.9
145.02951	100.0
146.03287	3.6
153.05502	0.3
159.04494	0.7
161.06097	0.9
163.04010	9.8
164.04318	0.6
179.05675	0.3
187.03987	3.6
187.05533	0.4
188.04410	0.3
191.16675	0.2
201.07726	0.2
205.05029	1.6
235.06093	0.7
239.05666	0.3
265.07114	1.4
271.08459	0.2
325.09286	7.0
325.13101	0.5
326.09500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
66.89577	0.3
69.08761	1.2
69.09162	0.5
77.53001	0.2
79.95750	1.0
83.05030	0.6
96.96007	100.0
97.06573	1.1
97.95975	0.2
109.06610	0.3
152.99556	0.6
155.14406	0.3
165.12813	3.0
209.11813	5.5
210.12132	0.5
227.12842	4.4
245.13922	12.3
246.14279	0.6
325.09595	53.2
326.09979	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	325.165
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45477	0.7
71.58144	0.6
74.78044	0.7
78.01100	7.1
79.95734	1.2
82.36996	0.8
84.02166	0.9
86.54733	0.8
92.92773	0.9
96.99309	1.4
111.00847	0.9
119.05043	1.7
125.99581	5.7
139.00386	3.3
170.00424	1.6
183.01196	55.7
184.01794	2.3
188.41983	0.9
195.17525	3.1
197.02806	1.0
197.19090	13.5
198.19543	0.9
209.19139	1.0
219.17534	9.2
220.17883	0.8
225.18578	4.3
237.18512	1.5
239.07495	0.8
252.16873	0.8
253.18073	11.4
253.20457	0.9
253.71017	0.8
263.16510	1.0
279.16101	2.9
281.17563	62.3
282.17831	4.1
307.15631	2.4
325.18503	100.0
326.18829	7.8
332.14871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1654
Annotation	Pulicanaral C
Peak:m/z	Relative Intensity
51.78041	0.7
65.07220	0.7
67.01893	0.9
69.85175	1.8
78.01099	24.2
80.02685	1.7
83.05020	1.3
87.99472	0.7
96.71092	0.7
100.90332	0.6
110.00069	1.0
111.00846	1.7
137.99564	1.5
139.00377	1.3
165.16466	5.9
166.16881	0.8
179.14435	3.3
181.15970	53.3
182.16298	2.8
198.76385	0.7
205.15964	93.2
206.16296	5.2
209.15349	0.8
237.14940	29.3
238.15424	2.0
251.97215	0.7
265.14423	8.5
274.14795	0.7
275.12653	0.8
281.17529	2.1
283.15509	8.8
293.13821	1.5
325.16531	100.0
326.16821	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	325.1653
Annotation	Dihydrobotrydialone
Peak:m/z	Relative Intensity
51.49541	0.7
57.39398	0.8
65.12441	0.8
68.41143	0.7
69.16360	0.7
69.77367	2.4
78.01109	12.0
94.42502	0.7
96.93427	0.7
96.99338	1.0
97.67451	0.7
111.00882	0.8
111.45456	0.9
116.21293	0.7
124.98835	1.3
125.99581	9.5
137.99559	1.2
139.00356	5.8
140.01149	1.7
193.15973	0.9
195.17557	3.7
197.19106	1.3
219.17534	18.8
220.17902	1.3
251.16505	1.5
279.16089	4.7
281.17566	100.0
282.17877	8.9
307.15512	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	325.1653
Annotation	Dihydrobotrydialone
Peak:m/z	Relative Intensity
50.76519	0.5
70.36671	1.0
78.00676	0.8
78.01109	11.5
96.99297	1.0
97.82473	0.6
98.21976	0.7
111.00896	1.0
116.54981	0.6
124.98794	1.4
125.99577	9.2
139.00354	6.2
140.01183	1.5
155.59279	0.7
179.18062	0.7
195.17499	2.9
197.19080	1.6
219.17520	17.7
220.17868	0.9
225.18599	1.3
237.18504	0.6
251.16519	1.1
279.16156	3.5
281.17557	100.0
282.17944	7.1
307.15457	1.7
325.16577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1935
Annotation	Ibogaine hydroxyindolenine
Peak:m/z	Relative Intensity
69.45573	1.2
69.45963	1.3
71.04161	0.5
72.99318	0.7
78.01083	1.4
79.95752	1.7
84.30052	0.6
98.21874	1.0
100.74645	0.6
114.69825	0.7
119.05018	2.3
125.99559	0.7
139.00366	0.6
166.90030	0.6
170.00420	2.5
183.01204	89.1
184.01834	4.9
197.02829	2.6
197.19095	1.6
198.03609	0.8
219.17528	2.3
225.05956	1.1
239.07497	1.4
252.83887	0.7
253.18098	1.5
281.17554	8.2
282.17841	0.7
288.72836	0.6
325.18417	100.0
326.18695	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	325.2018
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03451	7.6
59.01365	4.8
63.53539	1.2
69.03451	4.2
71.01360	3.7
71.05025	8.2
71.06996	1.7
73.02941	1.6
79.75911	1.1
80.02657	4.0
83.05035	4.3
85.06564	1.7
87.04503	2.6
94.62181	1.1
95.05022	2.3
96.96011	1.2
97.02941	5.4
97.06590	6.2
105.98866	1.3
107.05029	2.4
109.06584	25.7
111.08134	3.5
115.07646	2.0
123.24973	1.3
125.06059	3.0
125.09692	3.6
127.07651	3.5
127.11309	1.9
139.11327	1.3
141.09291	1.5
150.00580	1.3
151.11226	2.9
153.09196	1.4
153.12788	2.1
167.10751	4.6
169.12360	7.5
171.10286	4.3
181.12311	4.3
183.13914	3.9
193.12352	3.7
197.11824	48.1
198.12144	2.2
198.74921	1.3
199.13388	3.1
201.11308	10.7
209.11821	2.5
211.13387	44.7
212.13800	1.8
213.11249	6.0
220.47069	1.2
227.12903	3.6
233.11601	12.3
235.13333	4.8
237.14946	11.6
245.19034	1.5
248.18398	1.2
249.14928	4.4
281.17264	1.3
289.18060	14.3
307.19025	11.8
325.20178	100.0
326.20392	7.2
333.08188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03427	0.7
58.61660	0.6
59.01361	1.7
61.98802	0.9
69.03477	0.6
71.01394	3.1
71.05005	1.3
72.02171	1.1
74.11407	0.6
80.02691	2.9
80.03071	0.6
81.03452	2.0
83.05022	7.4
84.02177	3.4
95.05026	1.7
97.06579	2.0
98.21832	1.2
99.08150	2.5
107.04980	0.6
109.06584	1.7
111.08146	1.3
115.07645	0.9
125.06064	1.3
125.09696	1.4
127.07648	7.6
135.08156	1.2
139.07619	2.1
141.09184	0.6
147.11745	0.6
155.10750	2.1
157.08597	0.6
163.11266	6.1
165.12807	4.3
171.10274	1.9
176.49576	0.5
178.10005	1.3
181.12383	1.0
183.13882	0.8
185.11833	8.8
191.10770	1.6
192.59312	0.6
193.12173	0.6
195.10242	1.3
197.11806	11.0
207.10268	1.0
209.11818	100.0
210.12170	6.8
211.13359	4.9
227.12866	6.7
233.11551	4.7
238.12117	3.9
239.16483	0.8
245.19040	1.0
251.16525	0.8
253.17883	0.7
256.13159	2.7
263.20291	0.8
281.17538	0.9
281.21262	0.8
289.18082	5.3
307.19141	57.4
308.19534	4.2
325.20169	26.8
326.20557	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
56.32358	12.9
59.01373	22.1
61.98817	24.3
70.63479	12.1
75.35086	14.2
75.80135	15.6
76.36431	12.7
87.05685	13.2
116.00994	12.2
125.09708	12.9
125.36959	11.8
127.07626	24.4
129.89893	13.1
129.96860	15.0
145.42892	16.1
171.10323	18.5
197.11900	22.4
209.11798	53.9
289.18216	17.8
307.19104	100.0
325.20007	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01357	1.2
63.44567	0.9
65.00312	1.0
67.01878	1.1
78.01100	23.4
80.02675	5.0
81.03470	2.7
83.05030	2.7
88.10371	1.0
96.08370	1.0
98.21856	2.3
106.00335	1.0
106.04221	2.8
109.06596	1.6
110.00088	1.6
111.00896	1.6
113.31426	1.1
121.06563	1.5
121.10232	1.8
123.08218	0.9
125.09739	2.9
127.11323	1.3
135.08171	13.5
137.99422	1.1
139.00363	1.1
153.09221	2.2
165.16464	4.2
171.10280	14.4
179.14410	3.1
181.15970	54.2
182.16270	2.6
185.11841	3.1
188.84357	1.4
193.12267	1.3
205.15964	90.8
206.16316	5.4
209.15390	1.7
237.14932	30.7
238.15312	1.4
249.31148	0.9
265.14426	7.3
281.17645	2.1
283.15503	8.3
289.18066	1.1
293.14001	1.3
307.15665	1.1
307.19110	2.8
325.16537	100.0
326.16888	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	Unknow
Peak:m/z	Relative Intensity
57.03423	7.9
58.79071	4.6
59.01398	12.2
61.98800	7.0
70.10018	5.1
70.10353	11.3
71.01384	10.2
76.26720	5.1
78.01115	7.6
80.02674	6.3
81.03433	6.1
84.02179	7.6
92.92729	5.5
93.07128	5.8
97.06583	13.5
97.69375	5.0
98.21869	7.1
104.35625	5.3
106.04229	13.7
107.08656	7.8
110.58205	4.7
121.06571	29.4
123.08151	18.2
125.09750	28.3
127.11301	8.9
135.08160	33.2
137.09727	10.4
139.11263	8.6
153.09209	19.1
155.10796	10.2
167.10741	11.1
171.10274	100.0
185.11835	70.9
197.19267	5.1
201.11395	11.4
205.16011	8.9
209.11795	6.7
212.10469	7.3
219.17563	7.5
227.12929	8.2
261.18515	8.4
279.19565	5.4
281.17575	35.1
307.15451	9.8
325.15771	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	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03432	6.2
59.01374	8.2
62.38474	1.4
69.03443	3.5
71.01382	4.4
71.05016	6.7
78.28059	1.4
80.02674	2.9
83.05009	3.1
84.02153	3.2
85.06591	4.5
87.04513	2.5
95.05015	3.3
97.02947	3.5
97.06583	5.0
107.05061	1.9
109.06587	20.1
111.08190	2.1
125.06130	3.0
127.07633	1.9
134.46573	1.8
141.09370	1.5
151.11392	1.8
167.10693	2.3
169.12325	5.8
171.10265	4.1
177.12872	1.6
181.12358	4.7
183.10153	2.0
183.13910	4.4
193.12267	2.1
197.11832	42.2
199.13388	3.8
209.11806	4.2
211.13387	37.6
212.13731	2.0
221.11931	1.9
227.12885	3.2
229.24973	1.5
233.11581	6.9
235.13438	3.6
237.14915	3.6
245.19124	2.0
249.14896	3.4
279.19775	1.9
281.17636	8.2
289.18124	7.7
307.19092	6.4
325.20184	100.0
326.20493	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	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01871	1.8
59.01365	1.9
59.04495	1.1
68.99809	4.7
69.03462	1.4
69.30024	5.6
78.01099	4.8
84.02171	5.4
96.99310	1.8
99.00892	1.3
99.92603	1.1
112.01668	4.8
125.02453	3.0
125.99583	7.5
133.11760	1.2
139.00372	3.8
139.11279	2.3
160.84224	1.2
179.18092	1.7
193.16003	2.0
195.17609	1.8
197.19118	3.2
207.21158	6.0
219.17490	12.5
221.15535	1.3
221.19235	2.2
223.20596	13.1
225.22217	100.0
226.22560	6.1
235.20682	2.4
237.22325	2.6
251.16466	3.4
253.21704	59.3
254.22130	3.1
263.20114	3.4
274.20413	1.2
279.16183	3.2
279.19742	6.1
281.17630	71.1
281.21243	68.7
282.17960	5.2
282.21539	5.7
307.15558	2.9
325.20227	80.6
325.23672	4.5
326.20508	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	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
62.93501	0.6
70.03555	1.2
87.00892	1.3
95.02879	0.6
114.79688	0.5
149.09726	94.2
150.10069	4.4
151.75409	0.5
163.11293	98.6
164.11589	3.8
171.39294	0.5
171.76717	0.6
177.76111	0.6
183.01169	1.6
234.43967	0.7
281.17612	1.8
325.21744	100.0
326.22134	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11603	1.4
53.27696	1.2
56.05773	1.3
59.01360	2.3
69.78957	1.3
70.67735	1.9
78.01099	2.2
80.33366	1.3
97.06666	1.3
97.87450	1.3
99.08163	1.7
103.09018	1.2
111.08151	1.5
121.10242	6.9
123.08141	3.0
125.99572	2.0
137.09674	1.9
139.11296	20.3
149.09680	2.0
151.11276	12.2
165.12833	1.6
171.10271	32.1
172.10544	1.6
177.12828	11.7
183.10268	8.9
183.24989	1.4
184.05307	1.7
219.17606	3.4
223.20663	1.9
275.20203	9.3
281.17560	21.1
282.18063	1.5
293.21140	10.1
307.19064	4.7
307.22760	25.0
325.20352	3.9
325.23804	100.0
326.24167	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	326.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80970	0.5
59.01368	0.7
69.28023	2.0
69.28292	0.5
73.00000	0.4
74.64071	0.4
81.61828	0.5
96.96024	0.5
97.85112	0.4
114.24454	0.4
140.02028	2.5
148.59044	0.4
184.01006	100.0
185.01138	5.4
324.12259	0.5
326.02124	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	326.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92868	0.4
69.20318	1.2
69.20719	0.8
72.00896	3.8
77.14362	0.3
80.10489	0.3
87.63821	0.3
93.03448	1.9
100.00401	12.4
107.05024	3.8
117.03459	10.7
119.05022	100.0
120.05341	3.5
134.06122	1.5
145.02948	47.9
146.03270	2.5
146.06108	0.6
147.04515	0.4
163.03999	20.2
164.04359	0.6
176.07205	0.5
180.06651	10.6
181.07034	0.5
192.00612	2.2
193.01439	1.3
194.02138	0.6
206.04570	49.2
207.02921	1.3
207.04915	2.3
220.05989	0.5
221.04465	0.4
229.09705	0.4
234.01682	1.2
249.03951	0.6
282.11279	1.0
283.11865	0.4
312.04892	1.2
326.10306	5.9
327.07251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35505	4.5
56.96418	5.0
69.74772	16.2
73.40218	5.1
81.66903	6.1
90.69829	5.7
96.96008	100.0
97.95917	7.5
98.22614	5.0
98.95619	14.5
101.31122	5.3
127.16375	5.8
190.02679	6.6
192.00662	28.9
193.01443	17.4
194.02205	9.5
201.23419	5.8
206.02119	6.0
207.03026	19.8
218.48335	6.4
228.13031	7.6
234.01706	21.3
246.14307	14.2
249.03966	7.6
308.64700	5.3
312.04990	11.9
326.09839	59.4
327.07095	12.1
327.10620	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	327.0718
Annotation	BERGENIN
Peak:m/z	Relative Intensity
61.87118	0.8
81.01170	0.8
88.54633	0.9
89.33916	0.9
98.10621	0.9
98.22619	2.1
123.00737	0.9
124.01680	2.6
125.02412	5.2
133.02908	0.9
136.01669	3.6
137.02463	1.1
138.03262	2.6
148.01698	1.1
149.02419	2.1
150.03212	1.5
151.03976	1.0
152.01163	2.4
161.02446	7.8
162.03221	8.0
164.01134	10.5
165.01904	2.0
166.02721	8.7
177.01892	4.6
178.02695	3.8
178.99869	2.0
179.03401	1.2
180.00586	3.0
189.01952	2.9
190.02704	14.4
191.03424	1.4
192.00633	100.0
193.01396	43.6
194.02182	36.9
194.03999	1.5
194.99367	1.5
195.02637	1.3
204.00725	1.0
205.01390	12.0
206.02185	12.3
206.73083	1.0
207.02960	53.8
208.00096	1.1
208.03375	2.1
209.04492	3.2
220.03714	1.0
221.00876	3.8
222.01678	9.6
233.00952	1.4
233.43617	1.0
234.01689	38.6
235.02028	1.7
237.04054	10.7
249.04024	29.8
249.06480	1.9
294.03854	1.2
309.06158	1.5
312.04837	38.1
313.05310	1.4
327.07196	50.8
328.07465	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	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66059	1.1
69.61806	3.9
80.73717	1.1
98.22573	1.5
98.65845	1.1
99.56517	1.0
124.01652	2.9
125.02454	6.3
133.02950	1.4
136.01688	3.8
138.03221	4.7
145.70464	1.3
149.02490	3.0
150.03224	2.8
151.03975	1.2
152.01123	2.6
161.02428	10.4
162.03250	8.4
164.01134	13.5
165.01831	2.2
166.02710	11.8
177.01872	5.0
178.02644	5.0
178.99834	2.5
180.00645	1.6
189.01939	2.6
190.02727	13.7
190.99835	1.5
191.03302	1.3
191.35095	1.3
192.00639	100.0
193.01395	49.0
194.02185	33.4
195.02660	2.1
205.01437	12.8
206.02196	14.8
207.02985	40.1
208.03447	1.5
209.04364	2.2
221.00885	5.1
222.01715	9.3
234.01678	37.8
234.98250	1.1
235.02147	1.9
237.04050	7.9
249.04010	24.3
249.06424	1.5
250.04442	1.1
312.04831	30.8
313.05167	1.2
327.07202	46.2
328.07559	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	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78184	1.0
53.35413	1.1
57.03431	2.2
59.01377	25.0
70.22120	1.2
71.01378	26.2
72.99271	3.3
73.02913	1.9
73.24961	1.0
75.00871	2.4
81.03449	1.4
85.02918	5.7
87.00864	27.1
89.02438	11.9
93.03417	1.5
99.00833	2.8
101.02438	6.8
104.68562	1.0
105.01933	1.6
111.00817	2.4
113.02367	4.8
115.00295	3.6
117.01834	2.1
117.22460	1.1
119.03513	5.8
123.04405	3.4
124.01601	1.6
125.02472	5.5
129.01881	2.8
133.02853	1.6
135.02908	4.1
136.01564	3.4
138.03114	3.4
139.00336	1.1
142.97473	2.1
144.06534	4.3
147.03012	13.6
149.02339	3.2
150.03120	1.8
161.02473	7.2
162.03212	8.3
164.01164	9.3
165.01799	2.1
165.05408	4.9
165.07561	4.7
166.02727	6.3
177.01794	4.9
178.02692	3.0
178.99759	2.5
179.05469	2.5
180.00485	1.9
189.01840	2.5
190.02692	12.2
191.01772	1.5
192.00636	100.0
193.01385	48.9
194.02179	33.7
194.24263	1.3
195.02649	2.0
205.01416	12.9
206.02199	12.1
207.02972	47.7
209.04384	3.3
221.00688	4.7
222.01712	7.7
222.93874	1.3
228.97507	10.4
233.00729	2.3
234.01678	44.9
235.01924	2.3
237.04021	10.4
249.04018	25.5
250.04176	2.6
251.20879	1.3
262.65842	1.3
267.10712	3.2
275.53912	1.2
312.04858	39.1
313.04834	2.7
327.06879	51.2
327.12759	7.4
328.07196	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	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38852	1.0
52.19791	1.2
54.20298	0.9
55.86164	0.9
56.22020	0.9
60.38734	0.9
64.77258	1.0
69.61981	3.1
100.82301	1.0
117.55841	1.0
124.01637	2.8
125.02436	4.7
133.02954	1.6
136.01648	4.7
137.02434	1.7
138.03239	5.7
148.01642	1.0
149.02425	2.4
150.03197	1.9
152.01184	2.4
153.01949	1.4
153.29866	1.0
160.75101	1.2
161.02440	10.2
162.03241	8.6
164.01164	9.8
165.01723	1.2
166.02672	7.9
171.67790	1.1
173.02368	1.3
177.01913	5.1
178.02701	3.6
178.99826	1.7
189.01982	3.0
190.02710	13.9
191.03334	1.2
191.24640	1.0
192.00642	100.0
193.01401	45.3
194.02193	35.1
195.02718	1.4
205.01389	14.0
206.02222	13.9
207.02971	43.8
209.04521	2.9
221.00940	4.8
222.01695	8.2
234.01688	39.9
235.02075	1.3
235.17580	1.2
237.00400	1.2
237.04031	8.9
249.04021	24.1
312.04865	31.8
313.05182	1.2
327.07199	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	327.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.79963	0.9
59.01381	34.0
70.12680	0.9
71.01382	21.3
72.99323	1.9
73.02943	10.5
75.00864	6.5
77.77644	0.9
78.32580	0.8
78.95892	7.7
81.26411	0.9
83.01385	1.3
85.02940	4.6
87.00876	37.2
89.02440	18.1
95.01400	1.2
99.00888	14.0
101.02443	15.8
105.01263	1.5
105.01939	19.8
113.02441	5.7
117.01884	0.9
119.03500	7.5
129.87210	0.9
146.95276	1.6
147.03000	4.9
153.53537	1.1
154.90523	1.0
154.91631	5.6
157.60835	0.9
161.04507	1.2
163.59241	0.8
178.95996	3.0
179.05579	1.0
198.90567	1.4
228.84863	1.5
252.89195	1.6
267.07281	2.3
327.01355	2.8
327.09314	100.0
328.09595	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
59.01379	100.0
69.03462	1.5
71.01382	25.7
71.01774	1.4
71.12944	1.5
73.02944	70.8
83.01382	13.4
85.02939	3.7
89.02445	7.6
96.96018	1.2
97.02945	1.4
99.00896	0.9
101.02440	48.4
101.17101	0.9
109.02928	4.7
113.02442	12.9
115.23199	1.3
118.94234	1.1
119.03503	3.0
123.04539	3.1
125.02439	3.7
131.03525	3.7
143.03510	5.3
149.04547	5.6
155.03484	1.5
161.04530	11.7
166.02716	1.6
192.00597	9.3
193.01395	4.5
194.02202	4.7
203.05576	1.1
203.07140	1.8
205.01469	1.1
206.02232	1.1
207.02963	4.4
221.06641	2.3
222.01790	1.9
234.01727	3.5
245.08154	1.7
249.04008	1.5
289.07169	11.5
291.07690	1.7
312.04816	4.9
327.07178	4.4
327.10645	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99390	0.9
52.21911	0.8
54.22227	0.9
59.01380	100.0
69.03454	1.5
69.35860	1.6
69.36269	4.1
71.01381	25.6
73.02948	79.9
81.03471	1.6
83.01390	15.0
85.02960	3.3
89.02441	6.6
96.96031	1.2
97.02979	2.4
101.02446	49.1
109.02959	3.0
112.79361	0.9
113.02456	13.1
119.03509	4.4
120.78060	1.2
123.04516	2.3
125.02489	4.8
131.03510	4.1
131.83186	1.0
137.02509	1.9
143.03513	4.7
143.74007	0.9
149.04575	6.1
151.03952	1.2
155.03522	2.5
161.04582	10.9
166.02675	1.3
190.02678	1.6
192.00641	14.4
193.01396	5.8
194.02203	3.8
203.05511	1.2
203.07191	1.3
205.01460	1.9
205.05055	1.5
206.02127	2.0
207.03017	6.8
221.06502	1.5
222.01711	1.4
234.01732	5.4
245.08145	1.9
247.85144	0.9
249.04070	3.9
251.22041	1.1
289.07214	9.5
312.04950	4.6
327.07614	5.5
327.10672	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.1
70.04282	0.4
70.04625	0.6
71.01385	3.9
73.02945	8.4
77.82997	0.3
77.95623	0.3
79.05534	6.2
80.75704	0.3
81.03452	4.6
81.11313	0.3
83.01384	1.8
85.02959	0.9
89.02460	1.4
90.02785	0.3
95.01429	0.3
96.96032	1.1
97.02927	0.5
97.06608	0.3
101.02448	5.0
109.02977	1.3
113.02443	2.0
119.03463	0.3
121.02927	0.6
123.04527	100.0
124.04847	3.0
125.02441	1.0
131.03525	0.5
137.02451	0.5
137.06075	0.3
138.03217	0.4
145.03021	0.3
147.04478	0.7
149.02379	0.3
149.04536	0.7
151.04066	0.5
153.01984	0.4
154.99849	0.3
161.02451	0.7
161.04555	1.5
162.03189	0.5
164.01137	0.7
165.05592	0.6
166.02747	0.7
177.01727	0.3
178.02733	0.4
190.02730	0.4
192.00656	8.1
193.01408	4.0
194.02144	2.7
205.01431	0.9
205.04942	0.5
206.02213	0.7
207.02980	3.4
218.54227	0.3
221.00899	0.3
222.01711	0.5
227.46292	0.3
234.01730	3.3
237.03978	0.5
245.08144	0.7
249.04089	1.8
262.29971	0.3
289.07166	3.3
312.04843	2.9
327.07355	4.6
327.10809	0.6
327.14316	0.6
328.05966	0.6
334.08667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53347	5.1
54.54893	5.0
62.59764	6.2
81.31983	5.2
111.00879	8.0
164.08444	8.1
166.02585	5.9
167.14407	100.0
168.14861	7.4
168.91417	7.9
170.85968	5.3
190.02751	5.9
192.00586	21.1
193.01337	8.3
199.17047	24.0
207.02971	21.5
223.13420	10.6
227.16496	47.0
234.01648	10.0
249.04089	9.5
255.16022	50.9
268.13162	5.8
269.13873	5.9
312.04935	12.9
327.07111	10.5
327.21573	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1449
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	1.8
57.03446	1.1
58.00591	1.2
59.01376	40.8
60.01729	0.3
61.41372	0.2
65.74183	0.2
71.01378	20.0
72.81364	0.3
72.99313	0.5
73.02940	3.1
74.78556	0.3
83.01384	3.3
85.02944	8.6
87.00873	1.8
88.01671	0.4
89.02437	12.6
95.01378	2.3
99.00891	1.8
101.02441	14.7
102.02790	0.3
111.00887	0.5
113.02441	8.2
119.03493	4.4
121.02957	4.6
122.03745	3.0
129.01971	0.6
135.08173	1.4
137.09695	0.4
146.37886	0.3
147.08122	1.7
149.06139	0.3
149.09720	12.4
150.10049	0.5
161.04565	0.4
161.09746	0.4
163.07652	0.7
164.08440	1.1
165.09195	90.9
166.09543	3.7
177.09344	0.4
179.05692	0.3
189.09186	0.4
192.00589	1.3
193.01411	0.7
198.07813	0.5
205.08795	0.3
207.02983	0.7
207.10228	6.3
207.12071	0.4
208.10622	0.3
219.10312	0.6
234.01724	0.4
312.04843	0.4
327.14462	100.0
328.14786	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	327.181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98517	13.0
70.04252	3.7
71.01376	12.0
73.73587	2.5
85.61127	2.2
87.00866	5.8
98.21959	2.9
103.88076	1.9
112.98798	3.6
118.04699	2.2
125.19243	2.0
127.07665	3.2
172.56915	1.9
193.15855	2.6
195.17516	24.1
211.97044	2.1
212.17790	2.8
219.66907	2.3
227.20189	2.6
239.20151	2.8
244.16788	15.1
251.16481	9.9
267.15988	100.0
268.16415	10.0
283.18777	6.7
321.31628	2.4
327.21964	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87959	1.4
59.01384	2.7
59.98497	1.8
61.63157	1.5
61.98830	1.9
66.90186	1.2
69.85428	3.5
74.61322	1.4
77.41476	1.3
80.02675	1.3
83.79951	1.6
98.21909	2.0
119.94704	2.9
126.78193	1.4
127.11497	1.6
146.03743	1.8
162.83890	2.5
168.91389	2.7
192.00648	5.5
193.01414	2.6
193.16000	3.7
194.02193	1.9
195.17534	100.0
196.17854	6.3
207.02930	3.5
223.16904	2.1
225.18594	2.2
227.20151	29.5
234.01656	2.6
239.16565	3.1
244.16698	3.2
251.16548	7.8
255.19629	2.8
267.15991	20.6
271.19415	2.2
283.19040	2.1
312.04846	1.8
327.07281	3.7
327.18442	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	327.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
61.98824	2.6
63.68253	1.9
69.39899	2.0
69.56244	7.7
80.02671	2.2
96.36126	2.0
99.96893	1.7
103.01484	2.3
119.94721	2.3
160.97691	1.8
168.91374	2.6
192.00647	7.9
193.01376	4.1
193.15967	4.6
195.17525	100.0
196.17845	7.2
207.03009	4.8
234.01619	2.2
239.16515	3.1
255.19641	84.3
256.20099	3.9
312.04745	2.7
327.07315	3.5
327.86264	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	327.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86568	5.0
59.01382	9.0
62.51560	5.7
121.02946	6.1
127.00365	81.5
164.08420	5.5
167.14314	5.2
168.91426	14.1
192.00673	23.4
193.01479	8.5
194.02223	8.3
207.02921	14.0
208.33670	5.0
213.18602	12.6
227.20091	12.9
234.01674	10.2
241.18155	11.2
249.03909	5.7
265.18109	65.7
281.17517	21.2
292.73914	6.5
309.13809	9.1
309.17041	100.0
310.17468	8.1
312.04840	10.2
317.04758	5.7
327.07275	12.7
327.21671	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03443	5.9
59.01358	0.9
69.03111	0.8
69.03452	6.2
69.39231	2.6
79.43056	0.6
83.04995	0.6
85.02948	20.9
97.02948	1.9
97.06581	1.9
119.08669	1.4
125.09767	1.1
127.11304	1.5
127.84101	0.6
137.09727	6.8
155.10744	0.8
165.12846	0.6
171.10268	42.7
172.10596	1.9
183.13850	1.4
201.11292	1.9
211.13406	9.8
221.11792	1.1
229.14433	6.3
231.75171	0.6
239.12828	0.8
291.19681	2.3
327.21750	100.0
328.22083	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.18315	2.5
59.01378	3.1
61.98824	3.0
62.14542	2.2
67.94648	2.2
70.75452	4.2
71.66004	2.6
73.02914	2.6
127.07659	3.0
129.09218	23.7
141.09219	11.8
152.89859	2.3
155.10794	15.6
168.91406	5.2
171.10265	10.5
185.11815	36.1
192.00644	11.0
193.01234	4.7
194.02228	3.0
197.11844	33.7
207.02963	5.1
209.11769	6.9
234.01666	4.9
242.36272	3.2
245.23679	2.4
256.03622	2.7
256.89478	2.4
269.04514	16.8
291.19595	12.3
309.20642	24.5
312.04868	4.1
327.07108	6.3
327.12360	29.5
327.16077	4.6
327.21744	100.0
327.25601	5.7
328.12183	2.5
328.22073	9.5
332.10474	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.16971	0.6
57.03440	2.7
58.00595	0.7
69.03446	2.3
70.56135	0.9
71.01369	0.8
72.69072	0.7
83.05038	1.0
85.02946	11.7
95.05030	1.2
97.02950	0.8
97.06593	6.1
99.01836	0.6
110.03748	0.7
110.16302	0.6
125.09731	1.5
127.11301	1.8
137.09721	3.5
155.10788	1.0
162.16133	0.5
165.12872	0.8
167.14394	1.0
167.36574	0.7
171.10272	21.7
172.10553	1.0
177.12837	1.7
183.13918	5.2
193.12331	1.6
201.11456	0.9
203.10783	1.0
209.11806	2.2
211.13408	21.4
212.13779	1.0
221.11824	3.2
229.14429	13.5
230.14719	0.9
239.12881	2.3
291.19724	2.6
309.20715	1.3
327.21735	100.0
328.22025	8.9
345.77612	0.6
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	Unknow
Peak:m/z	Relative Intensity
51.67165	1.4
59.01371	2.2
61.83150	1.3
61.98821	3.3
67.61207	1.6
69.03417	2.1
85.02943	13.7
97.06574	3.1
119.29259	1.5
127.11282	2.9
137.09721	4.5
138.03113	1.7
147.37161	1.4
164.08409	2.4
166.02676	1.7
166.05615	1.7
171.10268	33.8
171.11641	3.1
192.00641	15.4
193.01414	8.5
194.02205	3.7
205.01471	1.5
206.02028	2.2
207.02933	9.1
211.13390	11.9
212.90504	1.6
214.84462	1.8
221.11728	2.1
229.14493	6.9
233.46442	1.6
234.01692	5.8
237.04143	2.1
249.03954	3.9
291.19702	2.7
311.30795	1.6
312.04825	3.6
327.07080	7.9
327.21735	100.0
328.22086	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01390	2.2
65.13994	1.0
71.05036	3.1
80.02677	2.3
84.02164	19.9
85.02940	1.5
97.06588	1.3
98.21844	1.9
99.08179	1.6
113.09708	2.4
125.09711	2.5
125.61670	1.3
127.11276	6.3
132.62814	1.1
137.09729	25.0
141.09216	1.9
142.89429	1.3
155.10776	46.0
156.11185	1.3
157.54013	1.2
165.09155	1.8
171.10266	100.0
172.10565	3.6
190.02759	1.6
192.00629	9.1
193.01324	3.0
194.02118	1.8
201.11374	8.2
207.02972	3.9
211.11607	1.3
211.13358	6.9
213.11301	6.1
234.01611	1.6
239.16502	1.8
249.03951	2.2
291.19547	5.4
300.93317	1.2
309.20694	2.7
312.04852	2.7
327.07184	2.7
327.16739	2.4
327.21683	29.2
328.22174	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61462	4.3
57.03447	6.1
59.01385	7.7
64.53592	3.6
67.01865	4.6
69.03443	8.0
70.96996	6.6
80.02665	9.2
81.03417	4.8
83.05030	26.5
84.02186	7.0
97.06567	11.0
123.04523	5.2
125.09715	5.4
127.11339	4.5
135.08052	4.4
137.08720	8.4
137.09717	100.0
139.11301	8.4
151.11330	6.0
153.09216	7.1
155.10794	31.2
164.08461	4.8
167.14362	9.5
168.91537	4.3
171.10260	85.3
192.00655	7.4
193.01361	6.7
193.12326	10.0
207.02959	5.8
211.13474	7.7
237.18387	4.8
239.12880	6.6
247.20625	7.7
263.20218	8.8
265.18054	13.9
281.17456	13.1
283.18253	23.1
291.19608	50.0
292.20142	5.2
315.33759	4.6
327.07022	5.1
327.21515	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	327.2539
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
50.02303	0.8
61.98819	2.9
63.17410	0.7
68.48827	0.6
69.86079	2.2
75.92036	0.6
94.29870	0.7
94.92525	0.8
112.73087	0.9
119.94739	1.1
162.83939	1.8
165.01958	0.8
183.66835	0.8
186.85515	1.0
192.00658	3.4
193.01343	1.3
194.02106	0.8
207.03049	1.3
234.01576	2.0
249.04170	1.2
249.68346	0.9
263.23813	1.2
265.25345	65.6
266.25684	5.6
283.26471	1.7
309.24365	25.1
309.28030	1.2
310.24661	1.9
318.93536	0.7
327.07349	2.0
327.25391	100.0
328.25732	9.8
332.67188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
57.26596	2.2
59.01379	100.0
65.75432	2.5
69.95872	5.3
69.96184	3.3
74.69386	2.2
98.21810	2.7
128.46411	2.7
196.73703	2.7
327.18192	9.2
327.29050	55.8
328.29254	3.6
332.69275	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	329.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84410	0.5
59.01373	42.9
61.98825	13.0
69.73584	1.2
69.73969	1.3
72.99351	0.5
86.29311	0.6
93.44600	0.5
98.22579	0.8
113.03600	0.5
115.02486	2.4
117.00438	9.3
129.00427	1.0
142.89438	0.8
142.99478	1.8
143.02002	3.4
143.99677	0.6
144.97412	1.9
157.03587	0.8
159.01482	62.2
160.01563	2.9
168.99889	0.8
170.88376	1.8
170.91109	2.3
170.97835	13.3
170.99277	1.3
171.01480	2.3
171.97916	1.2
184.01012	1.3
185.01129	5.1
185.97130	0.7
186.00726	5.5
186.88368	1.5
186.98508	18.4
187.00967	100.0
187.98737	1.2
188.00818	6.7
201.02539	13.9
202.02734	1.5
220.68521	0.5
232.98209	1.4
244.85133	1.1
256.98276	0.7
274.99356	5.7
286.86188	0.9
328.87149	1.4
328.96405	2.6
329.02356	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	329.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25108	1.2
59.01371	1.5
69.03436	1.5
69.36432	4.8
74.52479	1.1
75.65913	1.1
81.03455	8.3
83.01379	5.6
93.03464	2.0
95.05027	14.9
97.02933	2.3
99.04491	3.0
107.04970	1.9
121.02959	2.0
122.03768	1.8
123.04518	17.3
124.01622	1.7
125.02448	15.1
136.01683	1.8
137.06076	14.9
139.03983	2.4
141.01854	1.3
141.05533	1.9
150.57201	1.3
161.02420	4.0
162.03166	1.8
163.02953	2.1
164.01143	3.6
165.01622	1.3
165.05602	2.1
166.01503	3.0
166.02702	4.5
167.03494	43.7
168.03296	1.5
177.01883	1.3
177.05563	1.4
179.03604	8.3
181.05084	3.4
190.02676	4.0
191.03294	2.0
192.00621	28.9
192.03308	3.9
193.01100	22.0
193.04939	2.2
194.00970	33.4
195.01897	15.6
196.02635	12.2
205.01439	3.3
206.01978	4.8
207.03137	12.4
208.03250	7.7
209.04677	100.0
210.04839	5.0
211.05035	2.3
218.41920	1.3
221.04515	3.8
222.01616	2.5
223.01622	3.7
224.02191	4.4
234.01643	7.3
235.01953	4.1
236.02177	24.2
237.04089	1.5
238.04262	1.2
239.05666	26.6
249.04005	5.3
250.04370	3.5
251.04500	17.9
290.73557	1.2
296.04211	1.8
314.05362	29.9
329.07806	49.8
329.12341	2.5
330.08286	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	329.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17805	0.8
57.17435	0.8
59.01394	1.1
75.17648	1.0
77.42493	0.9
81.03452	6.7
83.01389	4.2
83.19855	1.0
95.05025	13.7
95.32411	1.0
97.02944	4.0
98.06846	0.9
98.21778	2.0
99.04504	4.0
119.04957	0.8
121.02898	1.1
122.03708	1.3
123.03690	1.7
123.04520	16.3
125.02453	15.5
137.02417	2.5
137.06073	13.8
139.03979	2.9
141.05589	1.2
162.03062	1.2
164.03754	1.2
165.01537	1.0
165.05501	3.2
166.01555	1.4
166.02802	1.7
167.03485	45.8
178.02388	1.0
179.03473	7.3
181.05064	3.1
190.02663	3.4
191.03334	1.2
192.00687	10.9
192.03302	1.6
193.01126	11.2
193.05046	2.1
194.00992	19.6
195.01848	9.2
196.02635	7.8
197.04517	2.6
205.01389	1.8
206.02158	3.1
207.03212	6.9
208.03343	4.6
209.04605	100.0
210.04797	3.9
221.04498	3.1
222.01411	1.3
223.01759	1.5
224.02113	2.8
234.01772	4.4
235.01898	2.8
236.02159	13.4
239.05664	22.7
249.03928	3.0
250.04274	1.2
251.04500	6.8
314.05338	15.6
329.07898	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	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01371	1.5
62.18491	0.5
69.70760	1.7
69.71112	0.5
71.01371	0.9
73.94949	0.5
75.00861	2.1
78.58466	0.4
85.02946	0.6
86.34891	0.4
91.05520	1.4
97.09414	0.5
98.22617	1.0
107.05032	1.1
108.02172	53.6
109.02483	1.3
114.56009	0.5
119.20194	0.5
121.06595	0.6
123.04524	25.2
124.04817	0.6
129.31326	0.5
135.04526	2.8
137.06105	3.2
149.06050	1.1
152.01147	36.0
153.01491	0.8
165.05545	3.6
167.03490	100.0
168.03839	3.5
177.05510	0.9
179.03516	3.5
184.11497	0.6
192.00639	1.8
193.01109	1.0
194.00995	2.7
195.01863	1.2
196.02701	1.0
207.03073	0.9
208.03117	0.7
209.04523	1.7
221.04483	0.8
233.04582	0.8
234.01547	0.6
236.02283	1.3
239.05524	0.7
251.04628	1.1
268.82950	0.6
309.50949	0.5
311.07513	0.5
314.05313	1.4
329.08755	11.3
329.12488	1.5
330.08960	1.2
341.83679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74919	0.2
59.01376	1.8
65.00323	0.6
68.41734	0.2
71.01382	0.4
79.01923	0.2
83.76714	0.2
91.01891	25.3
92.02251	0.9
98.21839	0.7
107.01388	0.6
108.02161	0.4
122.03772	0.3
135.00883	29.9
136.01234	0.6
137.02484	0.3
152.01230	0.5
161.46831	0.2
166.02711	0.3
167.03488	100.0
168.03822	3.2
189.95956	0.2
213.09259	0.2
226.51848	0.2
282.30508	0.2
285.16974	0.3
311.14914	0.2
314.05618	0.2
329.08752	4.2
329.12448	0.3
329.16049	0.5
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
59.01376	1.7
69.03452	8.4
70.79945	0.3
71.01373	0.8
75.80809	0.2
79.01884	7.4
80.02229	0.2
81.03438	0.3
83.01392	0.2
85.02938	0.3
89.02415	0.3
92.31249	0.2
95.01405	0.4
97.02338	0.4
97.02946	5.3
101.02444	0.7
107.01389	19.8
108.02243	0.4
109.02942	0.9
113.02425	0.3
119.04981	0.3
121.02937	1.3
123.00845	0.9
125.02439	10.2
133.02953	0.8
135.00877	5.7
135.04532	0.5
136.01706	1.8
137.02388	0.3
145.02876	0.3
149.02417	0.9
150.03307	0.2
150.05815	0.2
151.00365	16.7
152.00774	0.3
153.01927	3.1
156.65776	0.2
161.02496	0.3
161.04608	0.6
162.03284	0.3
163.04004	1.8
165.01904	0.9
165.05640	0.3
166.02707	100.0
167.03477	13.5
168.03836	0.3
177.01929	3.0
179.03468	0.5
181.05095	0.3
189.02052	0.3
189.04224	0.4
191.03452	0.6
209.04543	4.4
221.04564	0.9
258.64841	0.2
297.06082	1.7
329.08759	15.0
330.09048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01374	3.2
66.23578	0.2
71.01385	0.5
71.44025	0.2
83.01405	0.4
87.76593	0.2
95.01358	0.4
95.05024	0.3
99.00877	0.3
107.01368	0.3
108.02163	8.5
109.02476	0.3
111.00864	1.4
121.02961	0.2
123.00872	0.7
123.04480	0.3
124.01662	0.9
125.02437	0.5
151.00378	0.4
152.01157	7.8
153.01476	0.3
161.04518	0.3
166.02734	0.6
167.03490	100.0
168.03835	3.3
169.36185	0.2
171.92656	0.2
209.04517	1.9
223.30716	0.2
239.05533	0.4
271.08151	0.3
329.02933	0.4
329.08704	7.8
329.11841	0.4
329.15955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32008	2.8
59.01378	100.0
61.59519	3.5
70.94912	5.5
72.32410	3.1
74.69382	3.2
105.86687	3.1
107.23428	3.5
129.22363	3.6
130.65393	3.1
150.09891	3.7
158.68414	3.0
181.12340	87.4
225.11319	18.3
225.14888	10.3
226.46764	3.1
285.13495	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	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31530	0.7
59.01378	100.0
60.01725	0.7
63.68946	0.6
63.96237	0.6
68.49351	0.7
71.01381	6.8
73.02943	2.1
83.01398	0.8
85.02481	0.7
85.02972	2.4
88.58781	0.6
89.02483	1.0
99.00867	0.8
101.02440	3.6
108.02217	1.4
113.02458	2.6
121.48085	0.6
123.04560	1.8
135.98372	1.2
152.01184	1.0
161.04587	4.4
167.03494	13.3
168.03871	0.6
187.03168	0.5
228.18748	0.6
269.10330	4.6
289.27478	0.6
313.17316	0.6
329.08463	1.1
329.12500	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88482	0.5
55.01892	0.6
59.01377	100.0
68.13871	0.4
69.13461	0.9
69.13866	2.3
71.01378	2.7
73.02952	2.0
76.58449	0.4
79.24243	0.4
80.20359	0.4
83.01409	0.6
85.02957	1.9
89.02451	0.5
97.02956	0.6
98.21816	0.8
101.02445	3.0
112.64769	0.5
113.02469	1.8
113.27300	0.5
123.04521	3.7
125.02469	1.0
125.19263	0.4
137.06049	0.5
148.90997	0.9
159.02986	0.7
161.03455	0.7
161.04555	3.0
166.02724	1.3
167.03503	9.0
185.11955	0.5
191.03448	2.2
209.04599	1.3
248.20210	0.5
269.10284	4.1
273.75739	0.5
285.13367	0.5
329.08658	0.8
329.12375	0.6
346.75958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1393
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
59.01376	15.4
69.30665	1.5
69.31053	0.9
83.92870	0.6
93.03440	1.6
93.75336	0.5
108.02162	0.6
109.02943	2.0
121.02951	24.1
123.04528	1.0
124.78828	0.5
135.04498	2.6
147.04515	7.2
152.82719	0.5
159.04506	2.6
167.07121	0.7
178.59317	0.5
182.07365	0.7
189.04155	0.5
192.07913	1.5
196.05299	1.1
209.06108	1.2
210.06828	0.7
211.03978	1.7
211.07578	0.9
212.04770	5.5
222.06812	1.0
223.07628	1.8
225.09174	1.0
225.14963	8.6
226.06354	2.3
226.15340	0.7
227.10686	0.7
237.05258	0.7
240.04276	5.8
241.08659	3.3
243.10263	2.0
250.06224	0.8
251.07051	2.7
252.07776	0.7
253.05017	1.2
253.08733	2.3
254.05817	7.8
255.10265	1.7
263.06961	1.1
267.06500	0.7
268.07468	0.9
269.08185	68.7
269.14090	2.0
270.08591	4.2
271.09717	8.3
279.06281	0.6
281.08173	10.0
282.08707	1.3
283.09753	3.7
286.04825	0.7
298.08334	0.6
299.09222	51.9
300.09628	2.7
313.10745	1.2
314.11584	59.0
315.11911	5.0
329.13898	100.0
330.14276	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	329.1604
Annotation	Tetranor-Prostaglandin FM
Peak:m/z	Relative Intensity
50.00568	1.4
50.24474	1.2
51.97487	1.1
57.91438	1.3
58.16314	1.4
61.58821	1.5
69.57692	5.3
78.01107	8.3
87.60633	1.3
94.73819	1.2
96.95988	1.2
125.53262	1.5
125.99594	9.9
137.99600	2.1
139.00427	3.1
181.15990	2.3
183.17566	1.9
205.15964	13.6
241.18021	3.7
265.14435	5.7
267.15997	100.0
268.16406	7.8
279.12173	1.6
293.13947	1.8
311.14932	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65300	3.3
57.18208	2.9
58.24479	2.8
59.01370	9.8
61.98825	4.0
69.03446	28.2
71.01398	2.7
167.12723	3.0
171.01480	4.6
179.14442	4.8
181.15962	54.3
182.16296	3.8
209.15465	100.0
210.15749	4.1
221.15608	3.1
253.14412	92.4
254.14876	5.2
329.23227	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	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13334	1.2
59.01377	100.0
69.26193	5.4
73.87077	1.1
74.66653	1.2
85.45430	1.1
98.22675	2.6
124.65400	1.2
132.34441	1.1
137.31898	1.2
145.16211	1.2
149.93883	1.3
209.11729	1.3
225.14944	82.9
226.15341	4.7
247.83226	1.2
266.76416	1.4
268.81534	1.1
269.13940	13.2
329.16083	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	329.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38051	35.2
59.01363	100.0
62.84184	33.1
72.12683	38.9
93.95990	47.2
98.21793	83.7
148.95212	41.9
156.05029	36.7
168.78044	38.5
179.76942	33.4
189.04337	86.0
236.10561	40.9
329.11301	81.4
329.17429	53.8
337.18384	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.233
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03448	0.7
76.52992	0.7
97.06602	0.9
99.08160	7.4
125.09727	1.4
127.11275	5.5
139.11279	9.4
157.12314	1.1
167.14410	1.2
171.10252	26.1
172.10634	1.3
183.13873	4.0
193.12325	0.9
201.11259	0.7
209.11757	1.0
211.13390	22.9
212.13741	1.4
229.14442	13.6
293.21118	1.5
311.22433	0.8
329.23306	100.0
330.23682	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.81384	0.7
59.01367	2.9
59.86100	0.9
61.60071	0.8
61.98814	1.1
67.32787	0.7
67.42646	0.7
70.90047	0.9
73.27542	0.8
77.77453	0.7
98.21843	0.9
125.09693	2.0
127.11282	6.0
155.10760	1.1
157.12341	0.9
168.79901	0.8
170.88338	1.3
170.91121	1.9
171.10248	12.6
171.25568	0.9
236.99847	0.8
299.22079	1.1
302.35883	1.0
311.18719	1.3
311.22333	3.0
327.21838	1.8
329.20490	3.8
329.23306	100.0
330.23688	9.0
342.70114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76693	0.9
59.01376	100.0
60.01703	3.0
63.00151	1.0
64.76811	0.9
71.01376	49.8
72.99319	1.9
73.02948	2.3
76.08052	1.0
83.01369	2.2
83.99398	1.1
85.02946	10.1
87.00884	2.3
87.91907	0.9
89.02441	48.0
95.01374	3.8
97.43425	0.9
99.00836	1.3
101.02433	25.1
108.02168	3.6
113.02446	21.6
119.03500	20.1
120.99643	1.8
122.03716	1.8
125.02444	4.2
131.03474	1.9
138.01982	5.8
138.02892	1.1
143.03461	3.9
149.04552	1.7
151.02724	3.9
151.03870	2.2
152.03513	18.4
153.06732	1.1
161.04591	3.9
166.01433	5.7
167.03525	1.6
168.02989	59.3
169.01424	2.6
169.03413	1.8
179.05600	6.7
180.02988	2.0
188.45375	1.1
192.03044	2.9
193.01396	2.9
193.03264	1.4
200.04817	1.5
210.04083	13.3
211.02492	2.5
211.26711	1.0
222.04152	6.2
223.04289	1.2
240.05154	3.3
270.06155	2.9
271.04529	3.5
303.08719	1.3
330.08292	84.7
331.08496	8.2
331.13806	2.2
331.17438	1.4
333.39893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
65.99828	0.4
69.34552	0.3
69.34959	0.5
71.01401	0.1
98.21928	0.3
109.02939	0.6
123.03287	0.2
130.53877	0.2
137.02449	2.7
138.03232	5.5
167.02222	2.9
168.03014	100.0
169.03362	3.2
229.34264	0.2
245.02502	0.2
269.13037	0.2
287.14020	0.2
330.08279	21.8
331.08575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
70.98009	1.1
71.01380	8.1
72.01720	2.1
73.02949	2.6
73.72820	0.8
74.02493	0.9
74.03303	1.2
79.07111	0.7
81.03469	1.3
82.03796	1.4
83.01378	0.9
85.02932	3.7
86.03278	1.0
89.02452	3.7
93.03442	0.8
94.65823	0.8
95.05022	3.1
96.05365	2.8
99.00922	1.0
101.02428	3.9
102.02784	1.5
107.01403	1.2
107.05048	1.1
108.02180	3.3
108.05379	1.5
113.02486	3.1
114.02789	1.5
119.03460	0.8
122.03770	1.3
123.04532	100.0
124.04854	84.5
125.02447	1.3
125.05051	2.4
139.04016	1.2
150.02821	0.9
150.05598	3.4
154.02686	0.7
159.02951	1.2
161.04584	4.1
162.04829	1.8
165.04086	1.2
166.02727	1.4
166.05913	0.9
167.03268	1.2
167.07140	2.8
168.00648	1.5
168.03844	1.6
168.07494	3.1
169.01462	1.7
183.03001	5.1
192.00739	1.1
193.00926	2.1
194.01241	1.2
195.01341	1.9
196.02187	1.1
209.03458	0.8
235.02040	1.0
236.01941	0.9
237.02411	1.2
285.09756	2.6
286.10147	35.6
287.10321	2.9
315.05692	2.2
326.16644	0.9
330.08334	4.4
331.06830	2.0
331.63800	0.9
346.18500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41872	9.4
59.01377	96.8
60.17755	10.2
62.28938	11.2
71.44015	11.7
77.23296	9.7
91.65106	11.2
181.15974	25.6
187.84459	11.1
197.15520	11.1
227.16501	100.0
282.83408	12.2
330.23666	25.2
331.24893	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
55.01873	0.9
56.57473	0.6
57.12135	0.7
59.01377	38.0
61.98821	1.8
62.79364	0.7
69.89351	0.7
69.89690	1.6
71.01376	11.5
72.99312	1.4
73.02942	1.5
77.42341	0.7
81.03459	0.7
83.01375	2.3
85.02940	6.1
86.00094	4.3
87.00874	20.9
89.02426	5.9
93.68611	0.6
98.22719	0.7
99.00860	0.9
101.02436	6.2
107.01371	2.5
107.03775	3.0
108.04548	1.9
111.00858	1.3
113.02443	6.0
114.41039	0.6
119.03485	1.8
120.04552	0.8
121.05330	5.4
121.64831	0.6
122.06118	39.0
123.00889	2.7
124.01653	3.0
125.02446	23.3
129.01930	1.4
131.08240	3.9
134.06128	5.7
135.03261	1.6
136.04053	1.4
136.07678	18.0
138.05634	1.9
140.01172	0.9
145.05299	0.6
146.06078	1.5
148.04022	0.9
148.07709	1.6
149.04848	2.2
150.05605	100.0
150.52533	0.7
151.00349	2.2
151.05978	4.2
152.07161	9.4
153.01926	1.7
158.06088	1.5
159.03162	1.2
160.07674	0.7
161.04588	3.0
162.05614	3.3
162.32800	0.8
164.07137	3.3
166.05072	0.8
167.03448	1.7
168.00670	2.3
168.03914	0.8
168.06625	1.2
169.01418	25.1
174.05571	1.9
175.06401	3.8
176.07133	8.8
183.03036	0.8
183.55582	0.7
186.05632	0.8
188.00519	0.9
192.06702	2.6
193.01375	0.8
194.08250	4.5
199.71222	0.8
204.06645	2.3
206.93849	0.7
211.02487	6.4
222.07756	3.0
233.84874	0.8
239.41975	0.8
241.03488	3.1
252.08772	2.6
254.04546	5.0
270.09848	1.7
271.04599	2.1
271.07291	4.9
300.10876	0.8
312.10886	58.1
313.11151	3.9
328.10669	0.8
330.11957	38.8
331.06680	28.7
331.12338	3.1
350.76218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
79.21669	0.5
85.04319	0.4
85.59210	0.4
85.87077	0.4
96.02162	2.3
98.22632	1.5
111.00877	0.6
111.40628	0.4
123.00876	1.7
124.01664	6.0
151.00360	0.8
152.01151	7.5
161.34007	0.4
165.01917	1.2
166.02684	2.0
167.14372	0.5
235.99867	0.5
237.14949	5.5
238.15300	0.9
265.14441	100.0
266.14786	7.0
287.12680	2.8
303.23215	0.5
330.13171	6.0
331.22699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2072
Annotation	CHEBI:70103
Peak:m/z	Relative Intensity
66.03490	0.9
69.30639	1.1
69.31033	2.2
95.01394	1.6
96.04543	1.2
106.02949	3.6
107.67400	0.8
127.04282	1.5
143.05881	0.7
147.03264	13.2
147.44768	0.7
160.04007	1.5
161.04781	3.1
162.01973	2.0
175.02736	13.3
176.03444	1.4
179.02205	3.6
189.04297	0.9
193.03755	1.6
238.78058	0.8
240.39676	0.9
268.20630	0.9
330.20712	100.0
331.20981	8.5
339.77722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0459
Annotation	Pinomyricetin
Peak:m/z	Relative Intensity
59.01377	2.7
65.84042	0.2
67.01869	0.3
69.03451	0.3
69.45188	0.5
69.45597	0.7
71.01386	1.2
72.52041	0.2
72.99290	1.1
73.02953	0.5
77.03970	1.3
79.01904	0.3
83.01373	1.6
85.02947	0.7
89.02429	0.4
93.03445	1.9
95.01382	0.7
97.02947	3.9
99.00859	0.3
101.02437	1.0
108.02175	0.7
109.02961	1.3
113.02444	0.8
121.02129	0.4
121.02955	5.0
123.00891	0.5
125.02433	0.4
137.02444	22.7
138.02759	0.7
153.12843	0.2
157.53006	0.2
161.04555	0.6
164.01129	0.5
165.01924	100.0
166.02258	3.3
169.01450	0.3
212.10611	0.2
221.06636	0.3
255.11359	1.5
266.74808	0.2
287.14474	0.3
301.25043	0.2
316.02274	0.3
331.04428	4.4
331.11615	0.3
331.24725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0459
Annotation	Crombenin
Peak:m/z	Relative Intensity
52.50370	3.4
59.01378	36.5
60.01719	3.9
65.00313	5.1
69.74068	9.2
71.01386	17.7
71.91591	4.0
72.99309	4.0
73.02916	4.3
74.34396	4.0
85.02941	3.9
93.03464	4.9
97.02982	5.4
101.02453	10.0
103.67600	4.3
108.02197	18.4
109.02966	6.1
113.02487	4.8
121.02962	43.7
125.02427	15.4
128.84613	3.9
137.02441	8.7
139.04004	13.3
143.04962	6.4
148.01680	6.3
149.02376	4.8
151.00337	4.3
151.04007	4.9
155.04991	7.4
159.03275	3.9
159.04524	16.3
161.04547	11.5
163.03987	11.6
165.01906	15.0
169.01411	10.4
169.05084	7.6
171.04500	11.5
172.05232	11.3
173.06029	4.0
182.03665	12.3
183.04546	9.3
187.03981	68.7
187.05525	6.4
188.04399	5.4
193.01431	38.0
193.08701	9.2
196.90845	4.3
199.03998	36.8
200.04797	90.0
209.08183	4.6
210.03177	4.2
211.03989	25.3
219.06479	6.4
225.05525	6.6
227.03468	27.0
228.04279	100.0
228.06503	5.8
229.04550	6.8
237.07637	9.2
243.06602	59.6
245.04597	20.2
253.07205	8.0
255.02986	72.0
269.13937	5.4
287.05627	55.6
331.04419	29.5
331.13846	13.3
331.17426	6.1
332.19287	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	331.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01112	1.0
59.01383	12.3
69.03455	1.8
70.14639	1.4
71.01392	6.6
79.01889	1.0
81.03455	1.5
83.01396	2.2
85.02961	1.6
88.69582	0.5
89.02444	5.0
95.01386	1.6
97.02956	1.7
101.02447	2.5
107.01410	3.4
108.97742	0.6
109.02948	1.2
113.02457	1.9
119.03515	1.3
123.00888	9.0
124.01664	11.3
125.02449	65.2
126.02791	1.8
137.02434	1.2
139.00310	1.0
139.03975	2.9
140.74266	0.6
141.01958	1.8
149.99583	11.5
151.00371	12.4
153.01912	1.6
167.03513	2.9
168.00644	31.0
169.01424	68.9
169.05089	2.3
170.01741	2.0
175.96056	0.6
183.02994	0.9
193.01381	1.0
211.02455	7.5
223.02513	1.0
241.03539	6.9
271.04596	5.1
302.56793	0.6
313.05685	3.8
331.06693	100.0
332.07053	6.5
348.99930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01083	1.3
59.01377	25.0
62.24478	0.8
65.82076	0.9
69.03407	0.9
71.01378	13.9
73.02934	1.1
79.01895	2.3
85.02930	1.7
89.02442	8.1
95.01392	1.3
97.02935	1.2
101.02442	4.9
107.01391	5.9
108.02213	1.3
109.02912	0.9
113.02431	3.0
115.15665	0.8
119.03512	3.0
123.00873	19.4
124.01694	7.2
125.02445	40.6
126.02857	0.9
127.36591	0.9
131.08253	1.1
139.00371	2.1
139.03947	1.9
141.01892	2.9
151.00375	17.6
153.01836	0.9
154.51176	0.9
155.51567	0.8
167.03505	2.1
167.29900	0.8
168.00610	5.6
169.01416	68.4
169.05095	2.1
170.01787	2.5
183.02940	1.1
193.01396	1.4
205.71698	1.0
211.02455	13.1
223.02486	1.4
241.03493	10.1
254.04578	2.9
267.90475	1.0
271.04636	12.1
271.07254	2.2
331.06683	100.0
332.06970	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01376	3.3
68.99909	0.5
69.03441	1.3
71.01375	6.3
73.02943	0.9
75.00890	0.4
82.00600	2.0
83.01382	1.4
85.02951	2.4
89.02479	1.2
95.01379	0.6
97.02956	1.3
97.44671	0.5
101.02462	2.6
107.01384	1.6
108.02181	3.2
109.03004	0.7
110.00087	6.4
111.00868	0.5
111.04532	0.5
113.02480	2.4
123.00861	1.0
123.04508	1.9
124.01669	6.1
124.04832	0.7
125.02445	38.3
126.02771	1.2
131.08311	1.3
137.02486	1.1
137.99570	7.6
139.00375	3.9
139.04015	12.9
140.04367	0.5
149.99579	7.9
151.00377	2.2
151.04001	0.9
152.01166	2.5
153.01933	100.0
154.02693	4.1
155.03485	1.7
161.04576	2.8
166.02702	0.7
167.03481	10.0
168.00633	18.5
168.04276	50.0
169.01425	31.8
169.05058	30.5
169.07211	0.7
170.01761	0.8
170.05499	0.8
179.03476	0.8
191.03531	1.1
196.03757	0.6
209.04607	1.1
211.02499	3.6
241.03517	8.9
254.04517	2.1
257.16428	0.6
271.04565	1.9
271.07397	1.7
288.59277	0.5
313.05679	2.5
331.06668	41.7
331.10342	12.1
332.06985	2.2
332.10617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
66.41000	0.3
70.27676	0.7
71.01379	1.3
79.89430	0.3
81.03440	0.4
81.42609	0.3
95.01414	0.3
97.02933	0.8
98.22623	0.4
101.02444	0.4
107.01365	0.5
109.02939	0.9
111.04571	0.5
121.95949	0.3
123.00941	0.4
124.01673	1.4
125.02444	5.8
137.02464	0.5
138.02396	0.3
138.03246	2.6
139.04005	76.8
140.04327	1.9
162.75221	0.3
168.00627	1.2
168.04260	1.3
169.01439	10.7
169.05052	100.0
170.05374	3.7
211.02461	4.0
212.02763	0.4
241.03563	4.7
254.04657	0.6
271.04617	4.4
271.07330	0.7
331.06662	3.0
331.10287	28.3
332.10651	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	331.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
60.82949	0.3
64.00036	0.3
71.01377	2.9
73.02948	0.5
76.19131	0.3
81.73876	0.3
82.00597	1.6
83.01398	0.3
85.02940	1.9
87.00838	0.3
89.02456	0.3
94.26809	0.3
99.00854	0.6
101.02460	1.6
108.02161	1.6
110.00086	6.0
111.00918	0.3
113.02470	2.5
116.39310	0.3
123.00918	0.5
123.04547	0.5
124.01653	1.1
124.04854	0.3
125.02437	12.7
126.81912	0.3
131.03502	0.3
131.08250	0.3
137.02455	0.4
137.06123	0.3
137.99585	8.0
138.03253	0.3
139.00362	3.8
139.04004	2.2
151.00313	0.7
151.03967	0.4
152.01163	2.7
153.01930	100.0
154.02667	4.4
155.03481	1.2
159.02948	0.4
161.04581	1.6
165.05507	0.3
166.02704	0.7
167.03487	10.2
168.04272	50.2
169.01421	14.4
169.05064	15.3
170.05428	0.3
179.03465	0.6
181.01436	0.3
191.03577	0.7
193.05031	0.3
196.03786	0.5
208.03687	0.3
209.04514	0.9
211.06059	0.5
239.05663	0.3
241.03561	0.7
249.14771	0.3
254.04510	0.8
271.07303	0.8
316.08029	0.4
331.06644	2.3
331.10263	6.5
332.10547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
69.62839	1.5
71.01374	1.8
71.15437	0.3
73.02949	0.4
82.00626	1.3
85.02950	2.3
89.02499	0.4
89.70341	0.4
101.02460	1.6
107.01441	0.4
108.02194	0.9
109.02965	0.4
110.00098	7.2
111.00896	0.3
113.02438	2.5
123.00933	0.4
124.01667	1.0
125.02444	5.6
130.92946	0.3
131.03528	0.7
137.02420	0.5
137.98523	0.6
137.99583	8.0
138.03177	0.4
139.00415	2.1
139.03973	0.4
140.01125	1.0
145.48108	0.3
151.00427	0.5
151.03984	0.4
152.01160	3.0
153.01935	100.0
154.02609	3.6
155.03516	2.5
161.04564	1.2
166.02737	0.8
167.03491	10.9
168.04276	53.5
168.24809	0.4
169.01471	0.5
169.05060	9.9
176.01126	0.4
179.03496	0.8
181.01434	0.4
191.03525	0.8
194.02185	0.6
196.03729	0.6
209.04556	1.1
211.06064	0.7
247.96930	0.3
299.07681	0.5
331.06619	0.9
331.10281	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	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01126	0.4
55.01874	0.6
57.03465	0.9
59.01376	100.0
60.01712	0.8
69.22320	1.4
69.22722	1.7
71.01378	5.2
72.99296	1.2
73.02950	1.9
83.01374	1.0
85.02935	2.6
89.02454	1.2
89.72596	0.5
93.49394	0.5
94.24747	0.5
95.00425	0.5
99.00870	0.9
101.02443	3.7
108.02182	1.0
113.02467	1.9
125.02466	0.8
151.72771	0.5
161.04590	2.1
169.01419	0.5
247.29141	0.6
272.46716	0.6
289.16541	5.0
316.02335	1.0
331.24899	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	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81697	0.7
55.01875	7.5
57.03453	7.0
58.00594	1.0
59.01377	52.5
69.03441	1.6
71.01378	100.0
72.01711	1.3
72.99310	2.3
73.02943	38.5
75.00867	2.1
81.03460	1.2
83.01382	15.6
85.02948	49.8
86.03292	0.8
87.00865	3.7
89.02443	13.1
89.14912	0.7
95.01379	8.5
97.02951	3.4
99.00878	14.4
101.02439	76.5
102.02731	0.9
108.02184	2.6
109.02964	1.1
112.82586	0.6
113.02446	41.3
114.02768	0.9
115.80272	0.6
118.47647	0.6
119.03516	3.3
125.02447	3.6
129.01933	2.2
135.17735	0.6
139.04013	3.3
143.03485	5.3
159.02983	11.3
161.04553	60.6
162.04924	1.6
169.01393	1.1
169.05083	3.6
169.12347	0.9
179.05565	1.0
205.03546	1.1
331.17575	23.4
331.26266	1.0
332.17902	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	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81697	0.7
55.01875	7.5
57.03453	7.0
58.00594	1.0
59.01377	52.5
69.03441	1.6
71.01378	100.0
72.01711	1.3
72.99310	2.3
73.02943	38.5
75.00867	2.1
81.03460	1.2
83.01382	15.6
85.02948	49.8
86.03292	0.8
87.00865	3.7
89.02443	13.1
89.14912	0.7
95.01379	8.5
97.02951	3.4
99.00878	14.4
101.02439	76.5
102.02731	0.9
108.02184	2.6
109.02964	1.1
112.82586	0.6
113.02446	41.3
114.02768	0.9
115.80272	0.6
118.47647	0.6
119.03516	3.3
125.02447	3.6
129.01933	2.2
135.17735	0.6
139.04013	3.3
143.03485	5.3
159.02983	11.3
161.04553	60.6
162.04924	1.6
169.01393	1.1
169.05083	3.6
169.12347	0.9
179.05565	1.0
205.03546	1.1
331.17575	23.4
331.26266	1.0
332.17902	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	331.1913
Annotation	11,12,14-Trihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
50.34212	0.4
53.86221	0.4
67.49685	0.4
69.48759	2.3
82.50481	0.5
83.78473	0.5
86.02120	0.4
108.15275	0.4
109.02943	1.0
110.03728	4.8
122.03725	0.9
123.04517	1.9
124.01642	1.6
125.02443	1.4
137.02425	2.9
138.03220	5.3
151.03999	2.6
152.01170	2.1
152.04852	1.0
165.02043	0.7
165.05569	0.8
166.02696	8.7
167.03430	0.9
179.03485	26.6
180.04297	2.5
180.07854	0.4
191.07158	0.9
193.05029	10.4
193.06711	0.7
194.05524	0.6
198.01689	1.4
207.06641	0.8
208.07408	0.8
221.08182	1.9
222.08989	1.3
235.09740	3.7
236.10513	7.1
285.18817	0.5
289.14334	0.9
290.15244	1.6
303.16226	0.5
303.19608	2.8
303.23355	2.5
315.93326	0.5
331.19131	100.0
331.22552	5.3
332.19507	9.0
332.23288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
59.01386	1.6
64.82642	0.9
69.12222	6.5
71.01384	1.2
73.00974	1.1
83.22614	1.0
91.05572	1.4
96.02192	1.5
98.21877	2.1
101.03977	3.7
108.02197	2.1
109.02936	1.0
110.00098	7.6
115.32059	1.3
119.05110	1.1
121.02964	5.4
122.03815	1.6
123.00877	4.3
124.01657	2.9
135.04553	5.6
137.02505	1.9
145.02980	3.3
149.02457	10.3
149.06065	1.2
150.03201	5.1
151.00377	3.7
152.01158	7.1
152.61855	1.1
159.04422	1.1
163.04002	10.3
163.07625	1.1
165.01965	4.5
167.03526	2.2
173.02412	9.8
177.01918	1.5
177.05577	2.9
178.02774	3.5
179.03493	1.3
187.04016	2.1
191.03497	65.9
191.07184	2.0
192.03918	2.8
205.05042	7.9
219.06696	4.2
234.08919	1.6
245.11906	2.6
259.09689	1.2
273.11435	6.3
288.17374	2.3
289.21689	1.4
303.19373	1.1
315.16092	2.3
316.16785	37.4
317.17191	2.4
331.19162	100.0
331.22803	13.3
332.19666	16.3
332.23389	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	331.1913
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
51.62946	0.9
59.01372	1.0
68.63802	0.8
80.24765	0.7
82.00592	1.7
86.88921	0.8
93.03492	0.9
96.02144	1.4
101.03963	2.5
108.02151	1.5
109.02932	1.3
110.00108	6.1
111.00872	0.9
119.04966	1.3
121.02969	5.0
122.03719	1.7
123.00883	3.8
124.01640	2.7
135.04521	6.3
137.02431	1.0
138.22343	0.8
145.02974	2.1
149.02443	7.4
149.06143	1.1
150.03255	4.9
151.00354	3.8
152.01176	6.7
159.04494	0.9
163.04027	9.2
165.01932	3.4
166.02702	1.8
167.03575	1.3
173.02473	7.1
174.03201	1.0
177.01959	2.1
177.05537	2.2
178.02692	2.7
179.03491	1.4
184.48230	0.9
187.04037	2.3
191.03497	65.0
192.03925	3.3
205.05042	7.2
217.12424	1.2
219.06708	4.9
234.09073	1.7
245.12004	1.5
259.09808	1.3
259.13522	0.9
273.11255	4.9
288.17166	1.4
303.19714	1.0
303.23077	1.5
306.51477	0.8
315.15942	1.6
316.16772	38.0
317.17203	2.7
330.16666	0.9
331.19159	100.0
331.22766	9.2
331.53192	0.9
332.19687	16.8
332.23492	1.0
333.49725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76796	2.2
54.43795	2.4
57.12076	2.1
60.86637	2.4
61.98826	6.8
71.41357	4.0
81.03441	3.8
98.96388	2.4
99.55473	2.4
108.02185	3.4
122.03740	2.8
162.83856	2.7
224.98563	2.5
295.22696	8.0
303.23331	7.7
331.19351	3.8
331.22781	100.0
331.26273	3.9
332.22946	7.3
351.52719	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2279
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
56.33060	0.2
62.20740	0.2
65.00312	0.3
69.58562	0.7
79.05515	1.2
81.03454	41.0
82.03797	0.6
83.01405	0.4
85.07281	0.2
93.03465	0.3
93.72333	0.2
109.02967	0.2
122.03764	0.8
123.04523	100.0
124.04855	2.8
155.98141	0.2
162.83969	0.2
263.23639	0.2
272.38449	0.2
289.21802	0.4
298.23276	0.2
331.22766	71.1
332.23074	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	331.2276
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
55.01870	2.5
58.43076	0.4
69.53511	1.7
77.03953	1.4
80.65769	0.5
95.05056	0.9
98.22665	0.6
105.03451	3.0
119.05064	0.6
136.05292	1.5
144.50452	0.4
149.06097	0.9
163.07631	0.6
164.04736	2.2
165.67372	0.4
177.05551	1.9
191.07207	0.7
205.08687	0.9
233.11723	0.8
247.20746	1.1
285.22171	3.0
287.23840	1.0
288.23572	0.5
289.21762	1.4
303.23254	12.1
304.23544	0.6
329.21170	3.0
331.22769	100.0
331.26270	6.4
332.23114	10.3
332.26926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2278
Annotation	Ekeberin B
Peak:m/z	Relative Intensity
53.20660	0.3
65.03942	0.4
68.99837	0.4
69.44933	1.7
69.45230	0.4
74.50383	0.3
76.96091	0.3
108.02172	51.4
109.02991	6.2
110.03203	0.4
121.02915	2.1
122.03781	1.7
135.04507	0.5
136.01628	3.4
137.02446	1.0
149.02486	0.6
150.03226	1.6
163.07625	0.7
177.05559	1.0
190.20517	0.3
191.10658	0.4
205.12401	0.6
237.23695	0.3
241.74571	0.4
242.26338	0.3
291.43756	0.3
303.23267	51.1
304.23688	4.3
313.54684	0.4
331.22757	100.0
332.23141	10.2
337.46075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2278
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
55.01871	2.2
69.69511	2.2
81.03443	3.9
95.05009	0.7
98.22062	1.4
108.02218	0.9
114.91783	0.6
122.03720	2.2
123.36642	0.5
135.04562	1.2
136.05287	0.7
149.06061	2.0
230.66170	0.6
238.68481	0.5
238.71066	0.6
247.18253	1.1
247.20627	9.3
248.20775	0.7
271.17239	0.6
275.23666	1.2
289.21722	100.0
290.22079	7.9
302.97006	0.6
303.23346	1.8
314.29874	0.5
331.22729	73.5
331.26453	37.2
332.23071	9.1
332.26807	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	331.2276
Annotation	Oxymetholone
Peak:m/z	Relative Intensity
55.01879	5.8
59.44026	0.5
62.97666	0.5
69.37746	2.4
73.38586	0.5
81.03456	0.8
95.05015	2.9
95.26647	0.5
119.04966	0.7
123.00872	1.0
136.05307	3.2
137.02406	0.6
149.06075	2.3
163.07640	1.2
247.20703	3.3
287.23785	1.6
289.21518	0.8
303.23273	100.0
304.23624	10.7
331.19528	2.4
331.22760	67.6
332.19510	0.6
332.23053	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	331.2277
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
53.43039	0.5
57.03433	0.6
57.18873	0.5
59.01376	0.5
61.98822	1.4
65.22177	0.5
66.40745	0.5
67.60426	0.4
70.17188	1.2
70.17549	0.7
78.28185	0.5
81.03448	4.2
83.05016	0.7
99.08162	2.0
108.02170	1.4
122.03751	3.0
123.04546	1.1
135.04518	1.8
149.06119	0.9
193.16034	1.7
205.15990	4.1
219.17548	0.7
231.13824	0.6
261.30014	0.6
289.21875	0.9
303.23294	1.0
331.22763	100.0
332.23041	10.0
343.71136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2489
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
58.00593	0.4
59.01379	0.4
61.98829	0.4
69.29961	0.2
70.96617	0.3
70.96960	0.2
71.01393	0.2
108.02167	0.8
109.03065	0.2
125.09711	1.3
127.11284	6.7
137.09645	0.3
139.11285	0.3
143.10738	1.2
155.10748	1.7
157.12325	3.7
161.04544	0.3
163.85854	0.2
171.10260	2.6
185.11823	0.3
187.13371	1.0
201.11372	1.1
227.01500	0.3
227.68385	0.2
255.23482	0.3
295.22736	1.7
303.23251	0.3
311.22269	0.6
313.23819	8.2
314.24225	0.8
319.59116	0.3
327.21640	0.4
329.23331	4.8
330.23715	0.5
331.24872	100.0
332.25201	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	331.2643
Annotation	cis-4,10,13,16-Docosatetraenoic Acid
Peak:m/z	Relative Intensity
50.39753	0.3
55.01628	0.5
55.01878	6.6
69.44266	0.8
69.44652	0.7
95.05027	2.4
136.05301	3.0
137.05722	0.3
144.39261	0.3
149.06065	1.9
153.05299	0.3
163.07686	0.7
205.12195	0.4
219.13911	0.3
220.14211	0.3
275.23792	2.2
276.23941	0.4
303.23398	0.6
321.01132	0.4
331.26404	100.0
332.26749	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	332.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61507	32.5
80.42741	10.0
85.77644	8.7
90.45033	10.1
93.84347	9.6
98.22587	21.6
104.28457	9.1
142.07405	10.1
189.19635	11.4
234.49968	9.5
278.73254	10.4
289.21732	36.9
304.23563	93.0
332.23083	60.0
333.20654	100.0
333.24252	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	332.223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.4
63.33372	0.7
65.99844	2.5
68.01406	1.9
81.18626	0.7
83.01363	0.9
84.56683	0.6
91.00200	0.7
92.92785	0.9
109.01692	1.5
122.02480	57.6
123.03313	4.7
136.04036	23.7
150.01964	3.1
150.05574	2.1
155.02293	1.2
164.03543	8.8
168.91365	1.1
178.04764	0.7
178.08678	1.1
178.53906	0.6
192.06656	0.8
192.10284	3.0
220.09859	2.1
246.15004	3.2
246.47418	0.7
247.15608	0.9
260.16516	8.0
274.18100	0.8
288.19608	0.8
289.20483	2.0
316.19171	1.9
317.19916	3.8
325.25952	0.9
332.22299	100.0
333.22556	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	333.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	10.4
59.01359	8.5
65.00315	8.7
65.04010	3.6
69.39034	6.3
69.39420	8.1
81.03437	10.0
83.01389	11.7
93.03436	17.0
105.03461	5.0
107.01405	19.4
107.04970	4.0
109.02953	34.0
123.04500	4.9
124.01665	5.6
125.01624	5.4
125.02446	69.7
131.05011	8.8
133.02979	6.4
135.04506	5.6
136.01645	4.2
137.02437	88.6
145.06581	3.4
147.04512	5.1
149.06143	3.9
151.00374	48.8
151.04013	12.1
152.01155	31.6
158.03766	3.7
159.04515	5.3
161.02370	5.1
165.01935	7.2
165.05516	5.2
166.37532	3.4
171.06630	5.5
173.06006	3.1
174.03162	9.8
175.03992	12.2
177.01901	12.0
177.05638	5.2
178.99843	29.2
179.03487	11.0
180.00551	6.2
184.32953	3.5
189.05576	6.3
193.04996	10.7
199.03967	7.5
201.05626	8.4
203.03482	10.0
205.01419	14.3
216.04272	6.9
217.05061	36.7
221.04539	32.9
227.03502	18.7
245.04527	100.0
246.04842	3.9
247.02432	61.9
261.04102	10.9
271.02554	4.3
289.03513	89.1
289.06693	4.6
333.10745	3.6
333.19412	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	333.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33241	0.7
57.03435	2.1
59.01367	2.6
59.89266	0.7
63.02378	0.8
65.00332	1.4
65.82113	0.6
70.80077	1.3
71.01370	2.6
81.03477	1.2
83.01388	1.9
91.05534	2.5
96.96018	9.7
101.02443	1.4
107.01373	1.1
107.05022	1.9
109.02936	1.2
121.10247	0.9
123.04514	1.2
123.08176	12.9
124.01634	1.0
125.02477	3.6
128.03554	0.8
135.04553	1.9
137.02451	3.6
138.33562	0.7
147.04504	1.0
147.08157	8.3
148.08461	0.9
149.06094	4.0
151.00360	2.1
151.03981	5.3
161.07167	0.9
161.57414	0.7
165.01936	0.9
165.09204	8.0
173.06104	3.3
175.03970	1.8
177.01909	1.5
183.04688	1.0
191.07138	100.0
192.07484	3.7
201.05550	0.8
203.03564	1.0
209.08186	84.2
210.08569	3.6
215.03519	1.2
217.04996	1.0
227.03528	1.2
245.04547	1.8
253.07175	43.4
254.07443	3.0
268.40747	0.7
271.02777	5.7
281.93195	0.8
289.03564	17.6
315.01740	5.3
323.14929	1.4
324.15231	2.1
325.15378	0.8
333.02805	19.3
333.15717	0.9
333.19131	3.6
334.03195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08805	1.0
55.83829	1.1
57.52168	1.3
59.01374	3.0
65.03941	1.2
69.71592	4.3
72.99318	2.9
119.05006	1.6
121.02969	2.3
131.05058	1.2
133.02969	6.8
135.04523	4.2
147.04559	3.8
148.01726	2.1
149.02470	8.0
149.03526	1.5
151.04007	5.5
163.03989	3.2
175.04034	6.0
177.01926	100.0
178.02261	2.3
179.03430	8.5
191.03654	1.6
207.03033	3.6
219.02927	7.3
240.66872	1.3
259.11871	7.3
260.96185	1.9
294.99081	3.0
297.00677	5.4
297.06122	50.7
298.06503	1.9
315.10977	1.4
332.98355	10.9
333.03693	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	333.0613
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.59309	0.6
59.01370	1.5
69.03448	2.1
69.98435	1.5
71.01353	0.7
72.52551	0.6
72.99304	31.0
79.01927	0.6
85.03029	0.7
88.21942	0.7
95.01387	3.3
97.02934	1.1
102.74662	0.6
107.01376	1.8
108.02177	1.6
119.05026	22.8
123.00887	15.5
124.01665	23.2
125.02449	30.3
135.04495	1.8
141.07086	0.7
145.06561	0.9
147.04526	2.0
149.99573	1.5
151.00348	2.1
156.08899	1.0
159.04466	0.7
162.03223	2.6
162.10675	0.7
163.04051	1.7
183.08141	1.6
185.06070	2.3
187.47906	0.8
197.06081	1.0
209.06239	0.9
209.11763	1.3
215.07187	0.8
225.05609	1.0
227.07124	18.2
229.04836	0.8
235.81664	0.7
243.06586	6.3
253.04935	1.4
269.04553	1.1
271.06113	25.9
272.06467	1.8
287.05630	8.1
289.07135	5.7
297.03952	1.0
315.05090	7.5
316.05518	0.8
333.06137	100.0
334.06525	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	333.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36204	0.8
57.03405	0.7
59.01375	48.3
60.01709	0.8
60.42324	0.8
69.28342	2.3
69.28741	1.6
72.99305	33.2
98.00079	1.2
101.72937	1.0
113.05878	0.8
125.02455	1.8
127.11286	1.8
137.02438	1.5
139.11325	1.2
147.42276	0.7
147.43491	0.8
151.00389	1.3
152.01163	1.2
153.12820	2.2
155.10748	2.2
167.10770	1.1
169.12328	1.6
171.10262	0.9
182.83765	0.9
183.13881	7.7
183.63370	1.0
187.74657	0.8
197.11824	8.9
199.09753	9.0
200.10419	0.8
209.11858	1.7
211.09758	1.6
215.12921	2.9
227.12875	14.7
228.13242	0.9
241.10744	2.1
245.04356	1.3
247.02431	1.1
259.11841	100.0
260.12146	6.3
261.94611	0.8
271.11832	9.3
289.03589	2.2
315.10864	12.2
333.11893	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	333.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37739	0.3
60.63958	0.3
64.67566	0.3
76.26774	0.3
78.95930	0.3
95.01366	0.6
96.02159	2.5
98.21889	1.0
111.00903	0.4
123.00864	1.3
123.04516	0.4
124.01666	5.7
138.03186	0.5
152.01158	7.3
165.01941	0.9
166.02705	1.9
167.14432	0.4
184.00099	0.6
237.14938	6.0
243.21089	0.3
265.14438	100.0
266.14764	4.6
305.17780	0.4
305.21130	0.5
333.16943	0.8
333.20670	6.0
333.24390	3.6
334.20996	0.8
345.78152	0.3
350.67645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.1
65.21963	0.7
71.01375	4.7
72.20467	0.7
72.99304	61.5
73.02921	0.9
73.99611	0.8
85.02937	1.8
85.77730	0.7
89.02440	2.8
91.98792	0.7
99.00870	1.0
101.02453	3.7
108.04525	1.8
113.02447	2.5
113.67331	0.7
127.69027	0.7
153.09288	0.9
155.98921	1.3
161.04576	1.1
165.01965	1.2
167.14374	3.8
171.01237	1.0
181.16052	1.1
183.13910	2.3
191.14404	1.2
197.15480	3.1
199.13348	6.1
209.15465	16.2
211.13364	9.9
217.49034	0.8
227.16592	1.0
229.14412	1.7
237.11386	1.2
243.15932	3.9
253.14433	18.6
259.15558	1.8
271.15598	3.8
273.13342	1.2
289.20200	2.4
297.13318	4.2
315.14471	5.6
333.15536	100.0
334.15906	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	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31319	0.3
55.01869	1.0
56.69490	0.3
57.03450	0.8
58.00563	0.3
59.01379	27.7
64.06023	0.3
69.43922	1.2
71.01379	14.4
72.99291	0.7
73.02939	2.0
83.01383	2.0
85.02956	3.8
87.00863	1.0
89.02447	8.2
95.01377	1.2
98.22583	0.6
99.00883	0.6
101.02441	9.2
101.03098	0.6
104.92670	0.3
111.00828	0.3
111.08147	1.5
113.02438	4.1
119.03512	2.4
125.09721	2.0
153.09209	3.5
171.10268	14.9
172.10648	0.6
201.36711	0.3
273.13058	0.3
315.14401	0.9
333.15536	100.0
334.15854	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	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24378	0.4
55.01873	1.0
56.02877	0.5
57.03437	1.4
59.01376	17.9
62.57815	0.4
71.01379	9.9
72.99306	6.9
73.02950	3.6
75.00878	0.4
75.91462	0.4
76.93134	0.4
83.01389	3.2
83.05032	1.0
85.02942	5.0
87.00872	1.0
89.02442	4.0
95.01411	0.7
97.02933	0.9
99.00879	5.7
101.02446	8.0
111.00882	0.7
113.02437	3.8
117.01946	1.3
119.03506	1.7
121.81455	0.4
125.02441	0.7
125.09724	3.9
137.02449	2.9
153.09218	1.5
159.02898	0.5
161.04565	0.5
164.97906	0.5
165.01901	0.7
165.09056	0.5
166.02736	0.5
167.03522	0.7
171.10274	17.6
172.10648	0.7
198.00903	0.4
209.15503	0.8
219.08708	1.0
227.16383	0.6
235.13405	0.4
253.14360	0.5
263.56491	0.5
271.15741	0.6
289.16602	0.6
292.64035	0.4
297.13483	0.7
313.42487	0.4
315.14514	2.7
333.06436	2.0
333.15540	100.0
334.15912	6.3
352.82281	0.4
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	Cymbodiacetal
Peak:m/z	Relative Intensity
59.87219	0.6
68.99811	1.3
69.42045	1.5
82.00587	1.1
87.61608	0.6
87.85760	0.6
95.01373	7.6
96.02166	2.0
98.00095	1.1
101.98128	0.7
103.65821	0.5
109.02950	3.2
110.00095	2.8
123.00885	48.9
124.01759	3.5
137.02449	16.2
138.03136	1.0
139.04031	1.4
151.00380	3.2
151.04060	0.8
152.01097	0.9
165.01924	21.6
165.05573	0.9
165.09200	0.9
166.02548	1.2
167.03523	2.5
175.52390	0.6
179.03525	1.2
179.07138	1.3
193.08670	6.2
205.03249	0.6
219.10223	0.9
221.08174	2.3
242.71854	0.6
247.13454	3.2
261.14899	1.5
275.12955	0.9
290.18805	2.3
305.21048	1.6
318.18344	7.0
319.18878	0.7
333.20694	100.0
334.21301	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	333.2069
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
65.67251	0.7
72.79232	0.6
74.91683	0.8
79.83347	0.6
85.11676	0.8
86.78702	0.9
93.22497	0.7
95.36627	1.2
97.94622	0.7
105.16859	0.7
109.02940	3.2
110.03706	8.8
114.52335	0.8
125.02427	1.4
126.18799	0.7
137.02446	3.3
138.03233	10.4
142.02724	1.3
151.03998	2.6
166.02673	5.1
179.03499	12.6
180.04231	2.7
193.05037	6.3
218.18759	0.9
235.09721	1.2
305.21219	4.4
333.20676	100.0
333.24100	5.0
334.20981	10.0
334.24689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2068
Annotation	Sinulariolide
Peak:m/z	Relative Intensity
57.03437	1.9
59.01376	1.5
65.00323	2.5
70.14368	1.3
70.14684	0.7
80.02689	0.7
81.03451	28.5
83.01389	1.9
98.87636	0.6
107.01383	1.5
122.03733	3.7
123.04506	2.5
125.02434	9.1
135.04518	0.8
139.85504	0.7
151.00356	2.1
152.01126	1.5
189.08017	0.6
202.33360	0.7
223.20746	0.7
225.18506	1.0
235.10008	0.8
239.63254	0.7
241.29707	0.6
245.08549	0.7
247.20627	4.0
249.18559	10.7
250.18939	0.8
289.21722	43.1
290.22137	3.6
315.19571	0.9
333.20691	100.0
334.20987	10.2
344.97235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2069
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
51.54393	6.7
51.72104	5.6
54.87407	5.6
55.01863	6.3
60.18725	6.4
61.98820	10.9
76.00877	5.4
85.19769	6.3
89.88907	5.9
121.09966	6.3
225.35364	6.4
305.21149	7.6
315.19623	76.2
316.19806	7.4
333.14108	6.5
333.20743	100.0
334.20767	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	333.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00622	0.3
55.01895	0.4
58.50275	0.4
59.01356	0.4
60.01458	0.3
70.11256	1.0
77.48643	0.3
89.89437	0.3
98.22617	0.4
109.02950	1.9
110.03738	5.2
113.81866	0.3
116.23505	0.4
123.00874	0.5
124.01656	0.5
125.02423	1.3
137.02423	2.2
138.03218	8.0
139.03934	0.4
142.02675	0.8
151.03987	0.8
152.60570	0.4
165.01884	0.4
166.02722	6.0
167.03461	0.5
179.03476	9.3
180.04276	2.6
193.05061	3.7
198.01651	1.1
208.07491	0.4
235.09758	1.0
236.10507	1.2
284.45642	0.4
291.22620	0.6
299.66608	0.4
305.21188	6.3
306.21350	0.6
314.35745	0.4
315.19894	0.4
328.00964	0.4
333.20691	100.0
334.21036	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	333.207
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
57.03445	0.2
59.01369	0.2
68.99773	0.3
71.01355	0.4
75.04621	0.3
79.69902	0.2
81.03439	1.1
83.01326	0.2
92.92756	0.3
93.03412	0.4
95.01371	1.4
96.95990	0.4
107.04998	0.3
108.02165	10.6
109.02995	1.4
110.03722	1.3
111.00861	0.5
121.02978	0.5
122.02897	0.4
122.03734	5.2
123.00848	0.7
124.01615	0.8
125.02416	0.6
135.04500	1.5
136.01645	0.4
136.05254	0.6
137.02422	0.7
138.03223	3.2
142.02684	0.3
143.15002	0.2
143.67610	0.2
149.06023	0.6
150.03242	1.7
151.03786	0.2
160.85008	0.2
163.03990	3.0
163.07635	0.7
164.01134	0.3
165.01959	0.5
165.05605	0.2
166.02722	2.2
166.18604	0.2
168.91393	0.4
177.05518	0.8
177.09152	1.2
179.03622	0.3
180.04245	0.8
191.07162	1.6
191.10776	0.6
198.01691	0.3
205.08669	3.6
219.10277	2.0
221.11726	0.3
223.13368	4.1
224.13696	0.3
235.13275	0.2
248.94955	0.4
251.12860	44.4
252.13153	3.0
257.03046	0.2
262.15833	0.2
275.12912	1.4
280.86627	0.2
287.19717	0.2
289.14566	0.3
290.18826	2.2
291.10922	0.3
291.19525	0.3
305.17697	0.4
305.21115	1.0
317.17490	1.5
318.18338	0.4
333.20682	100.0
333.24179	7.0
334.05215	1.5
334.16983	0.5
334.21027	9.6
334.24619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11041	1.5
57.23798	1.3
61.98826	1.6
68.98425	1.4
80.68024	1.4
81.03458	16.8
107.40998	1.4
109.03010	1.8
110.03721	2.6
122.03741	6.6
123.04526	50.9
135.04498	1.5
136.05246	10.5
137.02443	1.9
138.03217	4.0
152.01140	1.4
163.50925	1.5
164.04694	1.9
166.02710	1.8
168.91414	2.6
179.03549	3.4
193.05064	2.5
193.88535	1.7
265.14374	13.6
272.58801	1.5
292.45810	1.4
305.21185	34.0
306.21588	1.9
328.49408	1.5
333.20743	100.0
333.24469	20.3
334.21124	8.7
334.24747	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	333.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	16.4
60.59529	0.5
65.00323	19.6
66.38938	0.5
67.01888	0.6
70.13017	1.2
73.17004	0.4
81.03438	3.8
83.01388	7.2
122.03694	0.8
123.04522	4.7
125.02444	100.0
126.02783	2.9
137.02457	1.6
159.44998	0.6
192.56517	0.5
212.33665	0.5
223.20683	2.0
247.20641	4.7
249.18535	0.6
289.21713	11.5
290.22061	1.0
291.19931	0.8
291.23260	0.7
333.20688	36.5
333.24417	9.9
334.20993	3.7
334.24582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
51.24234	0.7
53.58998	0.6
54.57567	0.6
55.01880	3.1
57.63475	0.6
59.01369	1.7
59.17034	0.6
60.21747	0.6
70.45474	0.7
72.85617	0.8
90.98685	0.6
92.92802	0.6
95.04998	1.4
98.22597	0.6
110.35215	0.6
113.90474	0.6
118.97091	0.6
119.92524	0.5
122.03793	0.7
136.05293	1.9
137.06119	0.8
149.06073	2.7
163.07582	0.7
192.95871	0.7
205.15997	1.2
233.19164	1.0
259.17004	1.8
261.18594	3.4
271.20667	16.4
272.21063	1.1
273.18643	3.4
287.20142	2.9
289.14285	0.7
289.21701	9.8
290.22076	1.1
297.18619	1.4
315.19641	46.5
316.20026	4.4
333.20694	100.0
334.21072	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	333.2072
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
55.01879	1.1
56.39087	0.7
57.47301	0.8
59.01381	0.7
63.56710	0.6
69.43970	1.4
69.44383	2.3
81.03445	2.8
91.51897	0.7
95.01389	0.9
96.95975	1.0
97.02922	0.9
108.02165	1.0
109.02951	2.4
110.03747	4.0
116.92827	1.0
122.03714	1.8
123.00876	4.1
123.04520	7.0
124.01662	2.6
125.02447	10.9
130.27870	0.7
132.44196	0.7
136.01735	1.1
136.05310	5.3
137.02429	4.7
137.06056	2.7
138.03226	7.1
149.06068	2.9
150.03177	1.0
151.03984	2.4
152.01154	0.9
160.73894	0.7
165.01944	1.6
166.02710	5.1
179.03467	6.2
180.04247	1.5
193.05049	2.6
198.01726	0.8
205.12312	1.9
235.09743	1.0
261.22180	2.8
263.20074	1.0
265.14404	2.8
277.18033	1.2
289.21741	2.7
291.19580	1.9
305.17548	6.4
305.21176	13.9
306.21609	0.8
315.19458	0.9
318.22028	1.2
333.17068	8.7
333.20621	100.0
333.24332	51.5
334.20993	8.9
334.24649	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2069
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
52.02074	0.5
56.83804	0.4
64.49120	0.4
69.58533	1.2
107.76343	0.4
109.02935	2.0
110.03732	6.2
125.02419	0.8
137.02432	2.0
138.03226	7.2
151.04016	0.9
152.04733	0.5
159.17079	0.5
166.02698	5.0
169.81149	0.5
179.03465	8.5
180.04221	2.0
193.05051	4.2
198.01643	0.8
205.22639	0.5
218.68820	0.5
235.09773	1.1
236.10457	1.3
278.61047	0.5
305.21167	5.6
333.20682	100.0
333.23871	4.1
334.21088	8.5
354.62515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2433
Annotation	OTK
Peak:m/z	Relative Intensity
51.83690	0.2
69.46483	1.3
80.02666	0.3
81.03437	0.7
93.03442	0.9
95.01384	0.3
96.02176	0.7
97.02972	0.4
102.25159	0.2
106.04225	0.5
108.02174	0.8
109.02940	2.7
110.03754	2.0
121.02964	1.8
123.00896	1.8
123.04527	2.5
124.01656	21.6
125.02398	1.1
134.03741	3.7
137.02443	6.9
138.03226	10.5
151.04007	3.9
152.01164	0.6
152.04706	0.5
165.05516	0.8
166.02681	0.8
179.03481	1.3
181.04295	0.3
193.08679	0.9
218.51888	0.3
236.14160	0.4
287.23804	0.6
289.21658	1.1
290.18747	1.0
305.21158	0.6
305.24472	0.5
315.19772	0.3
315.23254	1.0
318.21857	0.6
332.23572	1.3
333.20657	15.2
333.24283	100.0
334.20749	1.7
334.24609	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	333.2433
Annotation	Meliavosin
Peak:m/z	Relative Intensity
57.03423	0.9
62.30240	0.6
65.00307	0.7
71.11707	0.9
71.98153	0.6
79.05518	1.7
81.03453	45.4
82.03787	1.1
83.01408	0.9
110.03712	1.3
115.73757	0.6
122.03740	1.3
123.00899	1.5
123.04520	100.0
124.01683	0.7
124.04843	3.2
125.02438	3.6
137.02473	1.1
138.03200	2.1
149.71967	0.5
151.00381	0.9
162.81787	0.5
165.01990	0.9
166.02696	2.2
170.99069	0.6
179.03409	2.6
193.05008	0.8
235.09984	0.7
247.20621	1.2
249.18625	2.5
265.14563	1.2
282.67010	0.6
288.55771	0.6
289.21704	18.2
290.22043	2.0
291.19620	0.6
291.23355	0.7
301.21786	1.7
305.21280	1.8
333.20667	75.6
333.24402	78.8
334.20978	7.9
334.24734	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	333.2432
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
59.01365	2.8
71.43906	2.5
77.23835	2.4
79.05497	3.4
79.95727	15.3
81.03452	8.4
109.02962	5.2
110.03728	4.3
122.03736	3.8
123.00874	3.7
125.02444	3.4
137.02419	4.6
138.03238	8.0
166.02684	4.8
179.03484	9.9
193.05042	3.3
247.24361	4.1
249.22238	28.1
291.23294	100.0
292.23709	8.7
305.21133	3.6
315.31732	2.7
333.20615	89.9
333.24390	88.4
334.21014	9.9
334.24725	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	333.2433
Annotation	Meliavosin
Peak:m/z	Relative Intensity
54.01324	0.7
61.98818	1.3
70.97197	1.2
92.92788	1.2
96.95997	1.1
116.92868	1.2
123.00793	1.4
124.01675	1.7
130.00670	0.9
135.04507	0.9
136.05299	25.6
137.06046	0.8
149.06075	9.7
152.01189	1.2
163.07643	4.0
166.02699	1.0
168.91409	1.6
177.09229	1.6
179.03455	1.1
190.85144	1.2
191.10837	3.9
192.95760	1.1
197.26001	0.8
205.12299	3.5
219.13834	1.2
237.14883	1.1
245.15195	1.2
249.14900	4.1
259.17029	2.1
265.14420	21.9
266.14719	1.4
272.74084	0.8
273.18683	4.4
274.19284	2.8
289.18686	0.9
289.21780	12.7
297.49713	0.9
303.19623	1.0
305.17438	1.3
305.20935	1.7
315.23175	2.3
317.21011	1.0
318.21881	1.2
319.18988	1.2
331.22797	2.3
333.20667	13.4
333.24286	100.0
334.17389	0.9
334.20999	2.0
334.24664	10.2
348.99136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2432
Annotation	Meliavosin
Peak:m/z	Relative Intensity
56.96583	0.2
58.73982	0.2
65.00333	0.6
69.21849	0.2
69.53603	0.3
69.53938	0.9
69.60298	0.2
76.79591	0.2
79.05541	0.4
81.03452	40.7
82.03790	0.8
83.01376	0.9
91.10258	0.2
98.22713	0.3
123.04519	100.0
124.04854	3.2
175.94505	0.3
188.66127	0.3
333.24316	16.7
334.24609	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	333.2435
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
51.73011	0.3
68.99809	0.3
79.95766	0.3
80.02695	0.3
93.03481	0.3
93.28072	0.2
95.01365	1.7
96.02138	0.4
98.22520	0.3
106.04260	0.4
109.02948	1.2
110.00103	0.5
110.03735	0.3
121.02885	0.3
123.00883	11.5
124.01672	3.2
125.02458	0.4
130.72495	0.2
134.03734	0.7
137.02448	5.4
138.03229	25.3
139.03606	0.8
142.18211	0.2
142.37498	0.2
142.71811	0.2
151.00441	0.8
151.04001	8.2
165.01918	6.2
165.05537	1.3
165.09216	0.3
166.02661	0.5
167.03450	0.3
170.02245	1.4
179.03497	0.7
179.07126	0.5
193.05017	0.3
193.08704	2.0
207.10284	0.4
219.73711	0.3
221.08156	0.7
228.95326	0.2
231.66774	0.2
235.13466	0.5
247.13362	1.0
259.10144	0.3
261.14868	0.5
264.35825	0.2
275.16443	0.4
290.18936	1.1
291.19302	0.3
305.21158	0.7
318.18307	1.2
333.20673	26.9
333.24341	100.0
334.21078	3.7
334.24704	8.5
350.67300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2434
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
55.91716	0.2
70.46111	0.2
71.43515	0.3
81.03448	2.8
102.46174	0.3
122.03734	1.7
135.04538	1.0
135.73155	0.3
149.06078	0.3
169.15958	0.2
235.20647	1.2
249.14938	2.4
261.18576	1.2
261.22272	0.3
273.22241	0.4
278.17249	0.3
289.21649	1.1
291.23291	1.6
303.23309	1.0
305.21140	0.7
306.20914	0.3
315.23254	6.1
315.26709	0.5
316.23563	0.5
331.22763	2.2
333.24319	100.0
334.24689	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	333.2432
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
50.04411	0.4
51.51103	0.4
52.63918	0.4
53.96612	0.3
56.55454	0.3
57.32482	0.4
57.34456	0.3
61.57309	0.4
69.88247	1.1
81.03452	2.9
85.06588	0.8
97.78789	0.4
98.21918	0.4
122.03742	2.6
123.04507	0.6
135.04488	1.5
136.05290	0.7
139.77345	0.4
178.49905	0.4
193.15855	0.6
196.88705	0.4
205.15945	1.0
207.17726	0.5
211.87172	0.4
247.17018	7.3
261.18732	1.1
263.16510	12.1
264.16864	0.6
273.22238	0.8
289.14395	1.1
305.21170	2.7
315.19522	1.0
315.23251	19.2
316.23532	2.6
331.22910	2.4
333.20706	9.6
333.24301	100.0
334.21048	1.6
334.24677	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	333.245
Annotation	Meliavosin
Peak:m/z	Relative Intensity
68.50496	2.9
75.54211	3.2
79.95732	19.8
83.56978	3.7
87.65717	2.8
108.02181	25.0
109.02972	5.1
122.89846	3.0
127.52385	2.6
147.56561	3.4
156.26649	3.0
160.01939	3.2
193.25438	3.2
204.31679	3.2
305.24805	25.5
333.20590	30.4
333.24374	100.0
334.21051	5.2
334.24789	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	334.078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46811	1.0
52.12552	1.0
59.01379	12.9
61.98827	100.0
66.26299	0.9
67.40606	1.0
71.01373	2.1
83.01402	1.0
87.00871	2.0
89.02440	1.5
112.04016	2.9
125.02400	2.0
126.02781	1.9
128.27847	1.1
131.08273	5.5
133.02953	2.0
134.03255	1.7
134.04802	1.4
135.04477	2.1
149.02332	1.3
150.94792	2.8
151.04013	2.2
156.98930	1.0
163.03993	2.1
164.04422	1.1
169.01355	2.8
170.01726	2.2
171.01884	1.9
172.02139	1.7
173.10423	4.0
175.04094	1.5
176.04356	1.5
176.98055	3.8
177.01923	31.7
178.02287	16.1
179.03532	2.3
180.03777	1.9
192.95845	20.3
201.02583	1.9
202.02682	2.1
207.03044	1.4
219.02919	2.4
220.03317	1.4
220.88370	1.2
258.03964	1.5
274.04825	1.7
275.06451	2.3
297.06116	11.1
298.06464	10.8
334.07516	9.2
334.20355	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	334.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15399	14.1
59.01375	100.0
61.98824	85.6
64.21010	14.2
65.08318	15.2
68.71999	13.0
70.38599	13.2
71.01376	45.8
71.42989	18.9
72.99311	49.3
85.02986	29.3
89.02460	33.7
90.12124	14.3
98.57243	15.5
101.02448	34.6
108.15136	16.2
125.02419	15.4
151.58426	14.6
153.02025	22.6
155.02362	15.4
177.01912	31.8
178.02194	24.8
187.09790	53.3
218.67836	13.5
240.10385	15.2
260.12228	26.4
327.60547	14.9
335.13480	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59754	15.3
53.80600	14.0
56.73936	14.9
61.98825	28.5
64.81766	19.3
67.32267	16.6
71.44247	24.4
73.69933	16.3
79.67007	19.2
122.03766	26.7
291.19611	100.0
316.23572	17.8
317.21286	27.9
334.21204	23.4
335.18530	25.9
335.22247	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83469	2.3
64.66346	2.1
69.78915	6.4
98.21957	3.1
102.30561	1.9
109.03011	3.8
123.00887	11.0
124.01215	3.6
137.02438	4.9
164.06358	1.7
165.01967	3.8
167.03407	6.3
177.40256	2.1
213.92484	2.0
253.21762	2.4
291.23358	6.4
306.21426	4.1
319.18726	2.9
333.20831	9.4
334.21158	100.0
334.24701	6.4
335.21490	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	335.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34626	0.4
57.03447	9.5
59.01381	6.8
61.98821	1.8
65.03997	0.4
66.07779	0.4
66.67448	0.4
69.03466	0.7
71.01379	3.0
72.99309	1.9
73.02942	3.8
77.03952	0.4
81.03457	1.5
83.01379	3.7
85.02966	0.8
87.00920	0.4
89.02457	1.1
91.20159	0.4
93.03468	1.0
93.66988	0.4
95.01393	0.6
95.05027	1.3
97.02934	1.1
99.04507	0.5
101.02441	3.1
101.06078	0.4
107.05004	0.5
108.02176	1.7
109.02967	5.0
111.00951	0.5
113.02445	1.2
119.03503	0.4
120.02129	0.9
121.02957	1.1
123.04548	1.0
124.01669	7.4
125.02448	100.0
126.02808	2.1
133.03018	0.4
136.01630	2.8
137.02441	14.9
138.01932	0.5
138.03036	0.5
138.05684	0.4
139.04012	4.7
140.01205	0.5
148.01733	0.6
149.02455	0.8
151.04001	5.2
152.01134	0.4
163.00375	0.8
164.01146	16.0
165.01930	6.9
167.03477	3.6
169.05086	0.4
173.08191	0.4
175.04034	1.7
176.01151	6.5
177.01973	2.0
179.03453	3.4
182.02364	0.5
183.02893	1.0
187.09763	0.5
189.05617	0.5
191.03500	13.7
192.04155	1.5
194.02184	1.5
195.02985	13.2
196.03491	0.4
199.04041	0.9
209.04515	1.8
215.03549	0.6
217.05121	0.9
218.02109	0.5
234.05254	0.5
249.07738	1.1
251.05630	0.5
258.05377	0.4
265.07748	0.4
273.07663	0.6
276.06271	0.5
285.04007	2.1
291.08875	1.5
299.05603	0.8
317.06656	7.4
317.12384	1.6
317.15656	0.5
331.76077	0.5
335.07733	13.7
335.13370	4.6
335.17020	1.8
335.20728	1.4
336.08051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41101	0.4
53.10515	0.3
53.99907	0.4
56.37993	0.3
57.03446	13.9
59.01384	1.1
70.80235	0.3
71.01369	0.8
79.98660	0.3
81.03459	1.5
83.01392	2.1
93.03449	2.9
96.96027	0.8
97.02934	0.5
105.03471	1.1
107.05007	0.5
109.02946	10.5
121.02959	6.2
123.04493	0.6
125.02441	100.0
126.02787	3.1
133.02922	1.0
137.02438	25.1
138.02776	0.6
139.03964	0.4
146.03709	0.4
149.02452	6.2
151.00351	0.4
151.04013	1.3
152.49551	0.4
153.01930	0.8
155.03514	1.1
163.04031	0.4
164.01114	1.8
165.01921	13.8
166.02269	0.7
173.02415	0.6
174.03189	0.6
175.03961	0.5
177.01917	78.5
178.02271	3.4
189.05583	0.8
191.03456	0.8
191.07187	0.6
199.04013	0.5
201.01819	0.5
208.99074	1.9
213.05635	0.4
215.03554	0.5
217.01332	0.6
217.05058	1.3
219.02969	1.2
231.02977	0.6
231.06593	0.7
233.04778	0.4
235.06099	2.1
241.05064	0.7
259.06067	3.5
261.04047	0.5
275.05493	0.6
284.04984	0.3
285.03964	1.8
303.05075	5.6
335.04086	0.8
335.07632	1.7
335.16956	0.7
335.20670	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	335.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77557	0.6
57.03446	13.3
57.39769	0.6
61.90942	0.7
69.88817	2.2
81.03450	2.0
83.01389	2.2
93.03468	3.3
96.96001	1.5
98.21909	0.9
109.02951	8.2
121.02950	6.9
125.02442	100.0
126.02777	2.7
133.02924	1.1
137.02441	24.4
138.02737	0.9
149.02405	7.7
149.22963	0.7
151.03972	1.0
155.03540	1.0
163.00429	0.7
164.01160	2.1
165.01904	12.4
177.01923	74.7
178.02304	3.5
181.72549	0.7
213.05742	0.7
217.01666	0.8
217.04938	1.0
231.06665	0.7
235.06053	1.9
259.06061	3.5
261.04135	0.9
285.04059	1.5
303.05054	6.8
335.07803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52306	1.2
55.01875	8.9
56.36196	1.2
59.01376	78.7
69.03422	1.3
71.01377	43.1
72.99304	4.7
73.02944	3.1
82.72794	1.5
83.01394	1.4
85.02956	7.9
87.00852	3.2
89.02438	58.4
89.14583	1.3
90.98604	1.4
92.18250	1.2
93.03444	4.6
95.01391	2.7
98.22692	2.6
101.02446	20.3
111.08155	100.0
112.08514	1.9
113.02451	15.8
114.98823	1.5
119.03502	21.0
120.35119	1.5
125.02451	10.4
131.03493	2.2
137.02425	9.0
143.03484	3.6
149.04558	1.7
151.04008	1.4
153.02034	1.9
153.03551	1.5
153.09219	1.5
155.07143	83.3
156.07489	4.3
156.90729	1.3
161.04555	4.7
165.01874	2.7
173.08205	5.5
177.01941	6.8
179.05588	9.2
187.09760	7.0
197.04565	1.9
231.12346	4.1
261.12231	2.5
299.07834	2.2
317.11594	2.6
335.13519	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	335.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54561	0.5
55.01870	1.3
57.03423	1.1
59.01072	1.1
59.01376	19.6
61.98830	0.7
62.44224	0.5
71.01375	11.4
72.74816	0.4
73.02935	3.4
75.49221	0.4
83.01372	3.0
85.02948	5.1
87.00867	1.5
89.02441	2.0
91.69440	0.5
95.01391	1.2
97.02939	0.5
97.06605	0.6
99.00876	1.9
99.64127	0.5
101.02440	7.1
111.00881	0.9
113.02450	2.9
122.35390	0.5
125.02451	1.2
127.11270	1.8
155.10806	1.3
173.11809	35.0
174.12134	2.0
187.13518	0.7
208.99014	0.6
226.76831	0.5
249.13307	0.6
317.15988	2.3
335.17084	100.0
336.17401	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	335.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48461	0.5
55.01868	0.6
55.30560	0.6
59.01377	36.7
61.46115	0.5
62.73095	0.5
71.01377	16.3
71.16169	0.8
73.02933	1.3
74.61058	0.5
83.01388	1.9
85.02952	3.2
87.00860	1.4
89.02441	14.1
89.37370	0.6
95.01379	1.5
99.00857	0.8
99.07993	0.6
101.02437	12.4
112.69623	0.5
113.02445	6.6
114.14207	0.5
117.99948	0.5
119.03492	5.0
119.05085	0.5
125.09731	0.9
127.07648	0.7
127.11285	24.6
141.12833	0.6
145.02965	0.7
155.10773	5.1
157.12344	1.4
163.04129	0.6
169.12306	2.2
173.11818	56.0
174.12117	2.1
179.05588	0.7
189.07657	3.7
192.95758	0.7
215.12823	1.3
290.92929	0.6
335.17090	100.0
336.17511	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	335.2225
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
55.95057	0.6
57.03439	1.5
59.01367	1.2
65.00317	1.6
70.77048	0.6
81.03447	16.5
83.01386	1.4
95.91979	0.5
98.22261	0.7
107.01403	1.0
122.03754	2.4
125.02444	6.9
140.03990	0.6
151.00336	2.0
159.94850	0.6
180.03911	0.7
225.22295	0.7
227.20276	0.7
249.22214	5.1
251.20164	7.8
252.20341	0.5
291.23273	40.5
292.23648	3.8
317.21329	0.9
335.22217	100.0
336.22620	9.1
354.47745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95202	1.2
71.07268	1.2
72.15984	1.2
98.22467	1.9
109.02949	3.2
110.03723	3.6
123.00856	1.7
124.01661	17.4
125.02515	1.2
127.49550	1.2
134.03716	4.0
137.02446	7.5
138.03233	10.1
307.22729	4.8
334.24939	1.9
335.22144	46.6
335.25861	100.0
336.22565	4.5
336.26224	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	335.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.4
68.99808	0.8
79.17696	0.3
82.00620	0.3
85.01252	0.3
93.03438	0.3
95.01386	7.5
96.02204	1.4
98.00092	1.2
109.02940	3.0
110.00111	1.3
111.00880	0.6
123.00883	48.4
124.01752	2.9
137.02441	15.3
137.06068	0.3
138.02873	0.4
151.00366	3.1
151.03897	0.6
151.07619	0.8
152.01117	1.1
153.01956	0.4
156.00645	0.4
165.01932	20.1
165.05623	1.0
166.02344	0.9
179.03505	0.9
179.07121	2.6
193.07130	0.3
193.08688	1.7
207.06735	0.3
207.10243	0.9
221.11839	0.5
235.09697	0.3
235.13423	1.2
249.14955	1.0
263.16376	0.7
292.20468	3.7
293.20724	0.4
296.19955	0.8
307.22751	1.2
319.19095	0.6
320.19870	8.0
321.20181	1.1
335.22256	100.0
336.22620	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	335.2227
Annotation	Cervicol
Peak:m/z	Relative Intensity
55.01874	2.6
61.98812	1.6
71.65436	0.9
85.06575	1.1
95.05048	1.3
100.40145	1.1
102.15675	1.1
195.41156	1.0
215.14479	1.7
221.15450	2.0
227.98997	1.2
247.13417	1.5
249.14948	35.0
250.15382	1.5
291.49716	1.2
305.21329	3.6
307.22980	1.6
315.19324	1.4
333.20807	6.7
335.22260	100.0
336.22610	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2227
Annotation	Dihydroflexibilide
Peak:m/z	Relative Intensity
53.48404	0.9
55.01873	0.9
55.23386	0.8
56.10689	0.7
57.03439	3.5
61.98808	1.0
65.25179	0.7
67.01893	1.2
67.91773	0.7
69.03448	2.2
70.65998	0.8
71.01387	0.7
71.05007	3.5
76.59156	0.7
81.03474	2.0
83.05022	9.2
85.02943	29.4
86.03312	0.7
86.93257	0.7
95.01392	1.7
97.02950	6.4
99.04521	2.7
109.02941	11.1
110.03745	5.2
110.68594	0.7
111.00868	15.2
111.04503	1.2
113.02441	1.7
120.05779	1.5
122.03746	1.7
125.02441	1.1
127.04003	12.4
150.03203	1.4
153.14246	0.8
223.20615	3.3
225.18614	1.3
227.24539	0.8
249.18571	20.4
250.18848	1.3
251.20116	0.9
263.23819	1.7
273.22177	3.0
277.21823	0.9
279.23203	1.1
289.21719	3.4
291.23389	4.1
307.22824	1.0
335.22229	100.0
336.18732	1.2
336.22479	8.1
355.46182	0.8
356.55814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2226
Annotation	Cervicol
Peak:m/z	Relative Intensity
52.72312	0.4
53.90828	0.4
64.33041	0.4
68.00771	0.4
85.06596	1.8
113.06070	0.4
114.06847	0.5
122.03738	13.4
123.04073	0.4
135.04538	3.4
137.02429	0.7
149.06084	1.2
152.38861	0.3
163.07622	0.8
177.09200	1.0
187.57005	0.4
192.06018	0.4
206.13101	1.3
214.58487	0.4
221.15495	2.3
243.62401	0.4
246.99132	0.4
249.14934	32.5
250.15320	1.8
263.16559	0.8
263.24875	0.4
278.15103	0.6
284.80215	0.4
305.21185	3.1
315.19113	0.4
317.21201	0.7
320.19916	1.7
333.20740	6.3
335.22247	100.0
336.22598	9.5
346.39117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2587
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol
Peak:m/z	Relative Intensity
52.35111	0.2
68.14136	0.2
69.43389	0.9
79.05502	0.3
81.03452	31.4
82.03786	0.6
83.01400	0.8
85.02946	0.3
93.03478	0.4
98.21812	0.3
109.02956	0.7
110.12709	0.3
120.05757	0.2
122.03741	3.5
123.04520	100.0
124.04842	3.1
135.04573	0.4
136.05284	0.4
138.03217	0.4
138.98621	0.2
150.03267	0.3
151.03999	0.4
195.94304	0.2
249.14929	0.9
273.22217	0.5
289.21793	1.3
293.17624	0.4
294.18362	0.3
317.21136	2.2
317.24786	7.9
318.20926	0.4
318.25198	0.9
320.19839	0.2
335.21832	5.0
335.25821	20.1
336.22452	0.5
336.26151	2.2
348.82840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.259
Annotation	Subamolide C
Peak:m/z	Relative Intensity
59.01365	0.4
61.98814	0.3
65.00289	0.3
71.01408	0.3
81.03451	2.7
83.01374	0.4
85.02959	1.3
85.42856	0.3
88.74249	0.2
99.45610	0.2
99.91974	0.3
99.92583	4.5
100.92593	0.3
100.93346	0.3
104.81130	0.2
107.35310	0.3
109.02935	0.4
111.93106	0.3
112.34437	0.2
115.92068	0.4
122.03725	2.0
124.01669	0.3
137.02426	1.0
138.03206	0.5
146.72406	0.2
166.02451	0.3
170.88358	0.3
192.95813	0.7
194.14882	0.2
196.46280	0.2
207.94670	0.6
221.96172	0.3
253.38911	0.3
263.23605	0.2
265.25372	0.9
266.47824	0.3
291.23294	0.5
293.24863	3.0
303.15958	0.3
307.19141	0.8
317.24454	0.4
333.24274	2.2
335.09686	5.0
335.18787	3.4
335.22678	3.8
335.25873	100.0
336.09726	1.1
336.19116	0.6
336.23029	0.4
336.26205	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	336.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34525	0.5
59.01377	2.9
61.98828	100.0
69.81130	1.0
71.01412	0.6
74.37180	0.5
93.49374	0.5
127.76978	0.6
137.08110	0.6
182.57832	0.5
204.45892	0.5
318.40863	0.6
336.17465	2.0
337.12979	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	336.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66134	0.5
53.47400	0.5
59.01379	16.0
61.98830	30.1
69.92063	1.1
69.92444	1.2
71.01389	4.4
71.59124	0.5
73.02943	2.0
83.01385	0.8
85.02970	2.9
87.00891	0.6
92.05052	5.9
95.05058	0.9
96.96022	0.6
97.06595	1.1
99.00883	1.0
101.02440	2.0
113.02443	1.8
116.05058	1.0
118.03003	1.4
120.04607	0.7
123.04561	0.8
131.03772	100.0
132.04564	96.3
133.04895	2.6
144.04562	5.2
146.06108	2.1
158.06111	5.8
161.04590	4.0
174.05591	12.2
175.05937	0.6
186.05626	3.8
191.05629	1.1
224.25668	0.5
240.06364	1.1
276.08768	1.8
336.10870	1.2
337.12903	7.3
355.27945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2178
Annotation	(+)-Restricticin
Peak:m/z	Relative Intensity
57.03452	0.7
59.01372	3.4
61.98828	1.0
68.51971	0.7
71.05007	0.8
74.12775	0.6
76.98964	0.7
81.03471	2.6
82.03808	0.8
83.01385	1.0
93.03466	1.5
95.53188	0.7
97.89417	0.7
109.02943	0.6
119.94700	0.7
120.99817	0.6
121.02974	2.4
122.02434	0.9
123.00868	0.7
123.03298	1.2
124.01665	9.6
125.02506	1.5
134.03746	2.3
137.02414	3.2
137.06145	0.7
138.03220	6.1
150.02090	0.8
150.03235	0.8
151.02745	1.9
151.03941	0.8
163.92401	0.7
164.03532	4.6
165.04289	1.6
185.71132	0.6
223.20651	0.7
233.10275	2.9
237.22246	7.8
242.33588	0.7
265.21774	1.2
277.16592	4.8
278.18839	4.6
279.19656	30.1
280.19934	3.1
291.19696	3.4
292.19162	11.1
293.13040	2.0
293.21384	4.7
306.20737	100.0
307.21109	8.1
318.20770	1.9
319.18939	0.7
329.85532	0.7
336.21902	25.6
337.12207	2.9
337.19904	1.4
337.23181	0.9
357.07498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05975	0.3
67.01891	0.4
68.99828	0.5
69.74817	0.6
69.75203	0.7
71.75981	0.3
73.81345	0.3
88.89664	0.3
89.51479	0.3
95.01372	5.3
95.01923	0.4
96.01678	1.5
96.02237	0.3
96.96018	0.3
98.00097	0.8
109.02940	2.1
110.00053	0.7
110.03257	0.9
123.00881	29.6
124.01167	11.3
125.01227	0.4
125.02013	0.5
137.02448	7.2
138.02757	4.4
139.03961	1.0
146.37431	0.3
151.00293	1.4
151.03996	0.3
152.00777	1.1
165.01923	9.6
165.05652	0.3
166.02261	6.4
166.05894	0.3
167.02292	0.3
167.03555	2.3
179.07140	0.9
180.03983	0.4
180.07448	1.0
192.07796	0.4
193.08632	0.4
194.08958	0.4
208.10519	0.4
222.12149	0.7
236.13731	0.6
250.15262	0.4
264.16788	0.6
292.20267	0.7
293.20831	2.4
307.22604	0.6
308.23151	0.9
320.19702	0.6
321.20264	7.1
322.20706	0.6
335.22293	3.3
336.22641	100.0
337.23047	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	336.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
61.98820	0.1
69.40429	0.6
83.24306	0.1
86.86761	0.1
96.96009	1.0
109.02986	0.5
110.03735	0.8
116.92812	0.2
124.01625	0.2
125.02422	0.4
137.02415	0.5
138.03226	1.7
139.04013	7.2
140.04352	0.2
147.78755	0.1
150.03221	0.6
153.01956	0.2
153.05527	0.5
165.01956	0.2
166.02696	1.5
167.03497	15.2
168.04137	0.8
174.28831	0.1
177.05540	0.2
179.03583	0.2
180.04216	0.8
181.05103	1.1
183.19426	0.2
191.07179	0.2
198.01718	0.3
307.22766	2.0
308.23196	0.5
334.21100	0.2
335.22272	20.7
336.23022	100.0
337.23520	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	336.9397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41298	0.6
59.01373	1.4
60.41720	0.5
65.32879	0.5
71.43282	0.6
72.17109	0.6
72.83450	0.5
75.31036	0.5
79.95723	0.6
88.52004	0.5
96.96003	3.5
103.09903	0.6
119.93737	1.8
134.96082	30.6
135.96176	1.7
136.94000	74.0
137.94049	4.5
151.92677	3.6
152.91754	31.8
158.92477	0.5
167.90408	4.2
178.95050	100.0
179.95142	5.9
194.92807	55.5
195.93138	1.1
196.96085	1.1
210.90768	1.3
212.93880	3.3
216.89822	1.1
225.90393	1.0
226.40428	0.7
238.88139	0.6
247.84668	0.5
247.87122	17.8
248.37172	10.9
248.87038	8.3
250.94005	2.3
252.91795	3.2
256.87650	25.3
257.87686	2.6
274.88727	61.3
275.88815	8.3
276.86636	1.0
287.84985	33.6
288.35043	19.0
288.38330	0.7
288.84866	16.1
292.94986	10.0
293.95148	1.1
294.84900	0.8
294.92865	16.6
295.92935	1.4
307.83945	0.6
316.84467	2.4
336.83389	12.7
336.93961	83.8
337.83429	2.6
337.94119	7.9
354.84390	20.3
355.84521	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.5
59.20027	0.9
68.99822	2.0
71.01382	6.0
72.00902	2.0
73.02941	2.6
83.01408	1.1
85.02962	7.7
87.00871	2.9
89.02440	5.0
93.03495	1.1
95.05038	1.3
99.00901	5.6
101.02430	5.0
102.02634	1.0
107.05069	1.8
111.00885	1.9
112.98726	1.2
113.02439	8.2
113.99586	19.7
115.00394	6.4
115.04018	1.1
119.03539	1.8
119.05048	2.4
127.00397	2.4
129.01959	1.4
134.96065	1.3
136.94005	2.2
139.04056	2.1
152.91795	1.1
157.01422	4.3
157.05127	1.4
163.03989	2.4
169.01407	1.3
174.01692	19.0
175.02354	2.0
178.95078	4.1
180.06636	3.8
190.01849	2.2
194.92870	1.6
194.95503	1.4
218.67459	1.2
223.02921	4.4
232.02863	5.8
277.05701	18.7
277.08972	2.1
278.03452	23.4
278.05948	1.0
294.93790	1.6
336.94287	3.0
337.07764	100.0
337.11166	3.9
338.08359	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	337.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12448	0.8
57.03452	1.0
58.00515	1.0
59.01379	100.0
60.01719	1.2
61.98828	2.2
71.01392	14.2
72.99309	1.2
73.02951	7.1
78.95897	1.5
79.02020	1.2
83.01377	1.7
85.02959	4.1
87.00890	2.2
87.04520	2.2
89.02434	9.4
94.02985	2.7
95.01389	1.9
95.05006	0.9
96.95975	1.0
99.00912	1.8
101.02442	7.1
113.01742	1.2
113.02424	5.4
113.99614	1.0
119.03515	3.8
123.00881	1.7
125.02453	1.5
131.03470	1.3
133.05078	3.2
136.94069	0.9
138.01990	13.0
139.02316	3.9
139.04024	5.1
143.03458	1.5
149.04613	1.0
159.02927	1.4
161.04564	9.7
166.99872	1.8
169.01454	2.0
174.01680	1.4
175.09816	1.4
178.95061	2.7
179.05667	2.0
192.95897	1.0
250.94734	1.0
276.36810	1.0
277.05768	1.2
277.09256	2.0
294.93652	1.9
301.09323	3.3
329.84998	0.9
336.94513	1.8
337.04675	1.6
337.07770	7.3
337.11194	1.5
337.14651	4.6
338.04514	2.5
356.25961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97374	0.7
57.03444	0.7
59.01377	100.0
60.01706	0.7
61.06379	0.9
61.98814	2.4
69.57896	1.6
69.58296	2.2
71.01376	18.2
72.99323	0.8
73.02942	7.2
74.38449	0.7
78.95883	1.1
83.01418	1.0
85.02953	4.7
87.00862	2.8
87.04519	3.4
89.02440	13.0
94.02977	2.7
95.01404	1.1
95.05026	1.3
96.96059	0.7
97.02969	1.1
98.21914	1.7
99.00864	0.9
101.02422	8.9
109.06573	1.2
113.02443	6.0
113.06081	1.6
113.99586	1.7
114.05605	0.8
115.00361	0.9
119.03495	5.0
125.02435	1.0
133.05052	2.7
136.94006	1.4
138.01964	8.2
139.02301	2.7
139.03992	6.4
143.03517	1.1
153.01871	0.8
161.04555	8.4
169.01398	1.0
174.01671	1.2
174.04202	0.8
175.09746	1.4
178.95071	1.8
179.05626	2.9
194.92877	0.9
194.95610	2.0
250.94980	1.5
252.92917	1.1
261.99435	0.9
277.05621	1.8
277.09119	1.7
294.93710	2.8
301.08966	1.1
327.74521	0.8
336.94598	1.9
337.04129	2.6
337.07782	6.7
337.11279	1.7
337.14587	4.0
338.04611	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	337.1292
Annotation	Murragleinin
Peak:m/z	Relative Intensity
51.50388	0.5
52.46982	0.4
57.03448	0.4
59.01376	3.0
61.98832	6.8
66.52068	0.5
70.54296	0.4
71.01381	0.5
74.04978	0.4
83.05029	1.4
87.04527	0.6
90.44002	0.4
101.02448	0.6
105.94743	0.4
107.08662	1.9
115.07652	1.1
123.04539	0.6
124.01682	0.6
124.54927	0.4
125.02408	0.6
128.03607	0.8
131.03616	0.4
143.04591	0.6
145.06618	0.5
149.02441	0.7
149.09689	1.2
150.03232	2.8
151.04019	4.9
151.07570	0.8
159.08156	1.5
161.06099	0.6
161.09720	2.3
163.07732	0.6
165.01933	0.5
166.02702	6.1
172.05290	2.8
173.06085	1.3
175.04007	3.5
176.03583	0.9
176.04826	0.8
177.05484	0.7
177.09196	1.8
179.07137	2.2
187.07655	6.5
189.05577	2.0
190.06357	8.2
191.07031	0.9
193.01357	3.5
194.02184	4.8
200.66605	0.5
203.07118	0.5
205.08678	28.8
206.09019	1.3
209.00912	8.9
210.01224	0.5
215.07080	0.6
217.08611	0.6
249.07719	5.6
256.10260	0.5
272.09018	0.5
272.34018	0.5
275.13144	0.5
276.80539	0.4
293.13934	4.2
294.14200	0.7
337.12909	100.0
338.09149	0.8
338.13248	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30309	0.7
55.01865	1.4
57.03432	0.8
58.00588	1.5
59.01377	100.0
59.28009	0.8
60.01707	1.0
61.98825	1.3
68.84328	0.7
71.01380	42.1
71.26631	1.1
71.26982	0.9
72.99319	1.3
73.02967	1.4
74.55399	0.8
83.01385	2.6
83.05002	0.8
85.02946	8.0
87.00869	1.1
89.02442	42.1
94.61935	0.8
95.01396	4.2
97.06599	1.3
101.02441	23.5
101.03083	1.5
103.69370	0.9
111.00878	6.6
113.02436	14.8
119.03497	17.3
119.04293	1.1
123.04551	0.9
143.03529	2.1
154.99927	0.9
157.08740	1.2
161.04547	1.7
173.00912	1.0
175.09790	1.1
179.05693	2.1
221.53488	0.8
239.05716	1.2
240.06467	0.9
244.58681	0.8
274.44574	0.8
293.10077	1.8
337.15131	86.2
338.15509	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.71450	0.6
59.96267	0.6
60.31772	0.6
67.87862	0.6
69.72790	2.3
71.01405	1.0
71.14819	0.7
87.00895	0.7
93.03475	2.1
98.21895	0.8
111.00884	1.1
118.97028	0.7
119.05012	1.3
163.04115	1.2
173.04520	3.7
183.14407	0.7
191.05638	6.2
215.53973	0.7
268.16956	0.7
294.73511	0.7
337.12784	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1655
Annotation	18-Cooh-19,20-ltb4
Peak:m/z	Relative Intensity
51.69742	0.7
59.01383	1.3
62.38372	0.8
67.57755	0.7
69.26109	4.2
71.57006	0.7
78.01102	7.9
87.00896	1.2
95.01395	1.6
96.02171	10.8
111.00889	2.3
123.00877	5.6
124.01671	20.9
127.00367	0.8
151.00363	0.9
152.01160	16.2
153.01823	0.8
165.01920	3.1
166.02702	3.9
184.00185	1.4
194.80144	0.7
195.17513	1.6
201.18904	0.7
219.17537	52.6
220.17896	2.7
221.01225	0.7
265.18079	12.1
277.18118	0.8
291.16019	12.9
292.16339	1.0
293.17590	100.0
294.17889	7.6
319.15500	42.1
320.15796	3.4
337.16556	84.9
338.16772	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	337.2021
Annotation	LISURIDE
Peak:m/z	Relative Intensity
59.01381	5.3
61.98833	3.1
63.88158	0.8
65.00317	1.1
69.56442	3.9
71.01383	3.5
73.02942	1.9
83.01375	1.8
86.03529	0.9
87.93279	0.9
96.95984	1.4
98.22619	2.2
99.00876	1.1
124.98788	1.8
125.99615	6.7
127.00374	100.0
128.00713	2.1
130.82626	0.9
137.94962	1.0
140.01103	1.2
192.95999	1.1
209.19113	1.3
211.20718	2.0
214.48058	0.9
225.22263	1.4
231.10147	1.0
239.20219	1.4
241.21767	12.4
251.20164	1.4
252.13248	3.1
253.21748	3.7
258.77045	0.9
265.21759	4.2
269.21204	17.2
270.21597	1.3
274.10977	0.9
274.94998	0.9
281.21027	1.2
309.20746	16.7
310.21213	1.5
337.20203	77.0
338.20554	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	337.2019
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03453	8.0
59.01364	2.0
64.65497	0.9
67.59570	0.9
69.03452	3.3
69.51897	1.2
69.52227	4.5
71.65548	1.0
98.03735	1.7
119.67056	1.1
146.06068	1.2
221.19109	3.9
231.17496	1.7
237.22221	100.0
238.22556	8.0
249.22113	1.1
251.20197	2.4
265.21716	27.5
266.22107	2.2
275.20190	1.7
293.21228	54.8
294.21558	4.1
337.20178	52.1
338.20477	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	337.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34227	0.9
55.08397	0.8
57.03444	1.1
63.01755	0.8
64.25513	0.8
70.51668	1.6
71.05020	15.6
73.02934	1.3
80.47475	0.8
83.05023	2.1
85.02982	0.9
87.04536	2.1
111.00828	1.3
112.01649	3.3
112.05324	0.8
127.00333	1.1
165.54118	1.0
225.18535	1.0
237.22221	100.0
238.22531	8.6
255.19911	0.8
265.21707	10.5
289.72220	1.1
293.21222	55.0
294.21579	4.4
327.65726	0.9
337.20209	7.0
351.42676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81977	3.8
55.01875	4.5
57.03429	7.9
59.01377	4.9
61.98814	8.2
64.46556	3.4
66.97966	3.5
67.67390	3.0
71.44804	4.5
73.84937	3.6
78.01108	11.4
81.03493	5.9
83.01373	3.9
83.05013	4.5
85.02940	11.9
89.64906	3.0
91.02061	3.5
95.01378	6.3
96.02157	11.3
108.02180	12.6
111.00869	52.7
112.01646	4.3
113.02435	10.5
117.99557	3.7
123.00809	5.0
124.01672	25.7
125.02438	11.8
131.09164	3.4
146.09842	3.7
152.01137	22.8
159.08456	3.2
166.02747	6.7
167.61339	3.3
171.70692	4.1
207.17445	4.2
219.17516	56.8
225.18550	15.8
230.17499	4.1
233.19049	15.6
247.20708	5.1
249.18544	15.4
250.85670	3.4
261.18600	54.8
262.18958	6.2
263.20145	4.7
265.18146	10.0
265.21661	22.1
277.17856	4.4
278.18805	39.3
279.15982	9.2
291.15921	14.9
293.17542	100.0
293.21146	66.0
293.24268	2.3
294.17883	11.5
294.21335	5.7
305.17700	4.1
307.19104	25.5
310.18320	4.0
311.46881	3.7
319.15448	39.5
319.19153	11.0
320.15952	3.7
337.16473	88.0
337.20245	25.2
337.23392	4.6
338.16980	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	337.2384
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
53.26341	1.2
59.01378	1.5
59.96383	1.1
61.98816	3.9
70.40732	1.7
70.41053	1.3
85.06618	3.8
85.89204	1.3
95.93821	1.3
96.12202	1.4
104.99526	1.4
109.47794	1.2
115.07627	2.8
132.23663	1.4
147.68582	1.2
152.91905	2.2
160.28407	1.3
185.22557	1.5
195.93289	1.4
221.15459	3.7
230.99017	1.4
249.14922	11.2
252.13202	1.4
254.85768	2.2
279.16010	2.8
280.13196	4.2
301.21790	3.2
319.22830	3.2
333.20532	1.5
335.22302	17.1
337.20425	3.9
337.23828	100.0
338.24088	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	337.2383
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.01881	1.3
59.01410	0.6
61.98821	1.5
71.43985	0.9
77.57017	0.8
85.06593	5.3
90.39117	0.7
93.20926	0.8
95.05028	1.7
96.95963	0.9
97.91084	0.7
115.07652	4.1
122.03726	0.8
191.14423	1.7
195.93327	0.8
206.39093	0.8
221.15440	4.3
227.39409	0.8
236.72108	0.8
249.14969	7.8
253.14401	3.0
279.15945	2.8
301.21649	1.8
301.79636	0.8
319.22656	2.7
333.20743	1.7
335.22290	10.0
336.22778	1.2
337.23831	100.0
338.24161	8.1
343.78857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2383
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
50.60373	2.1
53.46033	2.0
59.01373	2.5
61.98821	3.6
71.43388	2.7
74.51254	2.0
75.40554	2.4
83.23125	2.4
85.06561	5.1
122.03740	11.6
158.75708	2.4
221.15448	4.0
235.13390	2.6
249.14954	12.1
254.85658	2.5
279.15994	5.2
301.21729	3.7
335.22443	11.2
337.20306	4.0
337.23822	100.0
338.24292	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	337.2383
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
55.78889	1.4
57.64085	1.2
59.01382	2.5
61.98811	3.7
70.58584	2.2
71.05045	1.2
73.31985	1.2
83.01363	1.5
85.06585	5.4
94.19321	1.4
96.96042	1.9
98.22590	1.6
115.07654	3.2
122.03732	17.6
125.88215	1.2
134.08223	1.4
135.04520	2.2
138.57184	1.5
139.43498	1.6
159.33810	1.3
164.23621	1.6
194.95546	3.0
195.93234	2.2
221.15428	2.8
237.76717	1.5
249.14919	19.7
254.85469	2.0
275.16599	1.8
279.16013	3.6
293.21188	5.8
295.19073	4.0
299.78677	1.5
301.21729	3.8
305.21326	1.6
319.22830	3.3
333.20551	2.9
335.22275	18.5
336.22754	2.1
337.20108	12.8
337.23804	100.0
338.20532	2.3
338.24127	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	338.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54128	0.3
53.56683	0.3
56.07615	0.3
56.15617	0.3
56.64135	0.3
58.57539	0.4
61.98829	100.0
63.13164	0.3
73.42634	0.4
82.85302	0.3
91.64861	0.3
117.90844	0.3
120.05973	0.4
250.18170	0.6
338.13409	0.8
338.19977	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	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.3
61.98827	3.5
94.02975	0.4
100.17013	0.3
101.57747	0.3
109.01684	4.0
110.02489	2.7
111.00862	1.4
123.03234	0.4
127.45409	0.3
137.01198	1.5
137.99619	0.7
138.01965	24.0
139.02290	0.4
147.04503	0.7
151.02730	2.6
153.01869	0.4
179.18027	2.2
181.01430	1.2
193.15994	0.4
195.17506	4.5
196.17949	0.4
204.17567	4.8
206.19112	2.1
217.15836	0.4
218.16455	0.5
218.19127	1.1
219.17522	0.5
222.18823	0.4
233.90216	0.4
250.18097	33.0
251.16269	2.1
251.18553	1.4
252.16957	0.4
262.18146	0.5
266.21222	2.2
278.14777	0.6
278.17581	9.6
279.18362	1.7
295.09711	0.7
295.17938	1.4
296.18680	1.7
306.17041	0.7
310.17395	1.2
338.19742	100.0
339.08737	0.8
339.20074	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	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.3
58.02977	38.6
59.01386	7.6
71.05023	3.6
71.74488	1.5
81.03445	1.8
93.22950	1.4
97.06573	2.8
98.06105	3.6
109.06562	1.9
121.89322	1.5
126.04716	2.7
126.05611	34.1
126.09251	6.5
128.07184	5.3
144.10316	17.1
146.08231	100.0
147.08621	1.6
150.23331	1.5
165.12877	4.2
170.08212	19.8
170.09569	2.3
171.08556	2.3
209.11755	1.9
246.29785	1.6
267.04037	1.4
294.88889	1.6
320.18582	7.8
338.19717	92.4
339.14590	2.0
339.19974	7.7
346.99750	1.5
363.88220	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	339.072
Annotation	Esculin
Peak:m/z	Relative Intensity
56.87943	0.3
59.01379	18.1
61.98829	0.5
64.56155	0.3
71.01375	0.8
71.11665	0.3
73.02937	0.4
76.71629	0.3
89.03963	0.5
93.03455	0.7
96.43642	0.3
96.95991	2.4
101.02448	0.7
105.03461	1.0
121.02998	0.5
123.04556	0.4
130.06572	0.3
133.02977	1.2
139.04012	0.8
149.02463	2.0
151.00322	0.3
161.04585	0.5
164.85800	0.3
177.01933	100.0
178.02266	3.4
279.00330	1.1
279.14395	1.4
295.97070	0.3
339.07217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1599
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
61.98821	1.6
65.17022	0.7
69.73788	1.5
69.74142	2.1
83.81506	0.8
92.92802	1.7
95.01332	0.7
110.00127	0.8
137.02454	2.6
138.03235	16.4
149.06570	0.7
165.01936	12.1
166.02710	95.7
167.03052	3.4
215.70976	0.8
215.76671	0.8
227.03473	0.8
253.08681	1.3
269.08109	1.1
270.08942	28.1
271.09354	3.4
295.17029	6.7
296.17578	0.9
339.15982	100.0
340.16269	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42385	4.4
78.01105	35.0
78.01561	1.8
80.02661	1.8
83.05009	1.4
110.00101	2.7
111.00887	3.0
137.99611	2.1
139.00383	1.7
154.98393	1.1
162.64603	0.9
179.18048	5.4
186.13168	1.0
193.15950	5.3
195.17532	66.6
196.17877	3.8
207.17496	1.1
218.48907	1.0
219.17525	88.7
220.17859	6.0
228.45508	0.9
228.74713	1.0
239.16428	1.2
251.16512	28.4
252.17192	1.4
279.16046	8.0
280.16251	1.3
297.17062	5.0
339.18100	100.0
340.18430	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21725	0.8
53.77151	0.9
53.97296	0.8
61.98828	1.0
66.30251	0.8
70.38168	1.8
77.96362	0.8
78.01109	19.3
78.62990	0.9
80.02699	1.0
83.05021	1.3
92.92796	1.2
96.96014	0.9
98.21748	1.0
98.67164	0.8
110.00105	1.0
111.00922	1.3
129.43250	0.9
137.99606	1.4
179.18057	3.8
193.15996	2.5
195.17528	53.4
196.17868	3.2
219.17528	81.6
220.17894	4.8
223.16833	1.5
239.16650	1.1
251.16507	28.1
252.16919	2.5
254.85626	4.3
279.15973	6.9
297.17084	9.4
339.18091	100.0
340.18420	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.1
59.01373	9.6
60.16248	2.8
63.09871	2.8
69.03447	13.1
69.70828	10.9
71.05012	13.8
81.03465	52.6
83.05029	28.7
85.02943	9.9
93.03430	4.4
95.05027	14.2
97.02937	12.5
97.06603	7.4
98.22618	4.0
99.04520	75.9
106.04223	3.8
107.05033	3.7
108.02192	9.2
109.02988	5.3
109.06567	5.6
111.04503	9.2
119.09797	3.1
121.02933	22.2
121.06577	4.8
122.03719	18.6
123.04523	8.6
125.09675	7.4
135.04544	6.6
137.06099	14.5
139.11244	4.2
149.06088	26.2
151.07658	5.0
153.09229	5.6
155.10765	3.4
160.05312	5.2
167.07149	14.3
171.10268	57.9
172.10629	3.7
177.12857	10.6
178.06313	18.5
185.11932	4.3
191.14427	11.5
193.12392	15.8
195.13945	3.5
199.13380	13.1
201.11244	4.0
205.12270	6.8
207.13873	4.1
209.11827	4.1
221.11861	4.6
235.13391	53.7
247.13422	4.5
249.11336	16.0
250.12080	14.4
253.14471	100.0
254.14729	5.9
265.14435	12.1
277.18048	3.5
285.14929	12.9
303.15982	30.6
321.17038	56.0
339.18097	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	339.1809
Annotation	Pentamidine
Peak:m/z	Relative Intensity
69.31976	4.4
78.01107	24.1
80.02652	1.1
83.05047	1.7
107.71716	1.0
108.60022	0.9
110.00107	1.1
111.00851	1.6
139.00322	0.9
179.18095	5.8
193.15988	1.8
195.17532	54.4
196.17892	3.2
219.17529	84.3
220.17856	5.5
251.16522	29.5
252.17072	1.1
279.15933	7.4
297.17172	7.0
307.15280	1.0
339.18103	100.0
340.18497	7.9
359.66943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70779	1.3
57.03437	2.3
59.01370	1.7
71.05019	37.8
71.05413	1.9
81.03455	2.0
93.07087	1.5
95.05044	1.8
97.06586	1.4
115.07103	1.5
125.09738	2.1
127.11259	2.7
135.08177	1.9
137.06064	2.6
151.11282	2.7
152.08453	1.9
167.10738	4.6
171.10262	100.0
172.10634	2.2
193.12302	1.9
223.16998	8.9
224.17360	1.7
233.15376	2.8
246.14249	1.2
249.14967	3.5
251.16510	1.7
282.43628	1.3
289.18109	2.6
306.18292	2.8
321.16925	2.8
321.20685	57.3
322.20929	4.3
339.21765	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	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	16.2
58.17192	2.6
62.92132	2.9
63.08813	3.5
69.03452	6.9
70.68218	4.4
70.73365	3.0
71.01407	4.5
75.00877	3.2
78.01097	4.2
80.02665	13.7
81.03451	4.6
82.61588	2.7
83.01389	11.4
83.05014	12.5
84.02165	9.6
85.02948	20.2
96.99303	13.1
108.02190	19.7
111.00881	100.0
112.01653	11.9
112.98802	5.7
113.02451	22.3
122.03741	6.3
144.00615	7.6
145.95827	2.7
163.11279	97.8
164.11610	4.8
174.55336	3.0
183.01181	56.1
195.17545	9.5
207.17564	3.1
209.19064	19.3
219.17494	16.4
227.20193	18.0
235.20609	22.9
236.21147	2.7
249.22301	6.0
251.20140	29.8
251.23929	3.5
263.17322	5.2
263.20126	96.4
264.20154	3.9
265.21716	8.5
267.23212	35.6
279.19604	3.7
280.20425	83.4
280.23413	5.9
281.20804	8.6
295.22757	96.2
296.23206	7.1
300.94763	3.2
307.19061	7.3
309.20682	38.6
310.20825	3.2
311.22299	4.9
312.19443	8.6
339.19873	85.2
339.23352	28.2
340.20212	10.7
340.23859	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	339.2174
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03451	9.7
59.01377	2.0
61.98822	6.7
64.32269	1.5
69.03435	2.1
69.21658	8.8
71.47323	1.7
73.70596	1.3
78.54703	1.6
80.45390	1.5
92.92793	4.8
96.96028	3.1
98.03767	1.9
103.43864	1.6
112.98805	2.1
119.94769	1.6
144.95717	1.5
183.01199	2.1
221.19157	2.0
223.20671	5.8
225.22250	1.7
239.23787	100.0
240.24078	11.1
251.16641	2.3
265.14465	1.9
267.23251	16.5
276.44391	1.9
277.21573	2.1
279.15900	1.9
295.20139	1.1
295.22769	40.5
296.23212	3.7
339.21826	46.5
340.21942	3.9
354.75040	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	339.2175
Annotation	Micromelone B
Peak:m/z	Relative Intensity
64.67036	0.5
69.88235	0.7
69.88580	1.3
80.69115	0.7
84.02161	0.6
88.54874	0.5
90.15273	0.5
90.94872	0.5
95.32932	0.5
110.31151	0.6
111.00880	9.3
113.02447	0.6
132.83995	0.6
183.01231	5.5
195.17493	0.8
197.02705	1.1
202.01071	0.8
206.54015	0.5
211.67285	0.5
219.17496	1.5
221.19064	1.1
223.20667	8.0
235.20644	0.9
251.60213	0.7
253.21725	0.6
283.22751	1.0
298.23712	0.6
339.21851	100.0
340.22165	10.5
362.52509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11803	1.4
59.01382	2.1
59.54149	2.1
61.98832	8.3
66.60647	1.6
68.83626	1.5
71.05020	18.6
83.04978	2.3
91.11273	1.5
92.92789	3.4
96.96018	2.0
116.75308	1.7
119.94699	2.4
123.00859	4.0
124.01683	12.7
146.96616	2.6
218.86696	1.9
223.20695	4.9
224.93973	1.7
239.23792	100.0
240.24065	5.2
251.16483	3.7
267.23215	9.2
293.21237	18.3
295.15234	2.8
295.22760	36.8
296.23129	3.8
321.20670	58.4
322.20966	3.2
339.21063	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	339.2324
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.74578	0.4
51.71732	0.4
51.75417	0.3
54.35254	0.3
55.41865	0.4
69.72625	1.2
69.73051	0.7
71.42595	0.4
95.40550	0.4
163.11279	100.0
164.11601	4.8
184.51936	0.3
283.70624	0.4
339.23248	57.3
340.23560	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	339.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94783	0.7
56.63268	0.8
66.85083	0.6
68.81840	0.6
70.78526	1.1
70.78878	0.8
87.00868	6.7
102.74668	0.5
103.90187	0.6
123.00873	3.6
137.02444	0.7
140.21637	0.7
145.82837	0.8
161.46092	0.7
165.01938	1.4
171.68062	0.6
183.01152	1.5
193.66188	0.7
195.17566	0.9
235.20694	1.6
277.25339	100.0
278.25641	9.0
292.16818	0.9
307.19150	5.0
339.21988	12.7
340.22003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88063	16.7
59.01368	23.2
61.98800	34.2
65.32781	15.1
67.89592	19.2
71.43341	23.9
76.35873	18.4
82.25395	19.8
96.50165	18.9
107.11572	19.3
123.00909	24.4
149.09731	46.2
177.09138	26.2
248.34808	20.3
279.16013	100.0
339.19427	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08255	3.7
53.97404	4.0
59.01379	50.0
60.34740	3.2
68.07256	4.0
70.97127	5.6
71.01378	29.9
83.01407	3.7
89.02447	32.9
92.85773	3.4
96.96024	17.8
97.04957	3.4
101.02435	14.5
109.02928	4.2
113.02454	12.0
119.03479	13.9
121.02980	5.5
125.02449	44.1
133.02968	10.7
135.04543	4.7
137.02455	10.1
139.04018	12.0
143.03520	5.1
147.04474	5.0
148.01715	3.5
149.02431	7.0
151.04030	8.9
161.02477	7.1
163.04005	4.9
165.01915	8.7
167.03525	8.7
172.75166	4.2
175.04028	10.3
177.01910	100.0
179.03487	24.9
179.05666	11.3
219.02989	11.2
219.06635	8.1
269.03537	6.7
284.68698	3.7
297.06171	50.5
305.06686	54.6
305.12299	5.1
341.05447	13.1
341.10660	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	341.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
59.20367	0.7
70.13792	0.8
70.14131	0.9
71.01385	3.4
78.68014	0.6
79.95740	1.6
80.66727	0.6
89.02428	3.3
96.96007	100.0
97.61380	0.7
98.22602	0.7
100.01422	0.7
101.02450	1.2
113.02450	0.8
123.76334	0.7
132.98207	0.6
135.04485	0.6
153.05602	0.7
174.99216	1.9
179.05643	1.1
179.07037	1.3
185.01245	0.8
197.01390	1.6
199.02901	1.4
207.03282	0.9
209.01305	1.8
221.01314	1.1
223.02878	1.7
225.04460	5.3
227.02361	2.3
235.02864	1.3
237.04506	2.0
241.00250	0.8
241.03944	3.2
251.02347	4.8
253.03940	2.7
253.63422	0.8
263.02368	1.4
267.05527	1.6
269.03436	24.5
270.03687	1.7
279.01868	4.3
279.04846	1.1
281.03424	9.2
282.03659	1.0
295.05038	1.9
297.02972	2.6
299.04498	8.2
304.99890	0.7
305.03366	0.9
313.06088	1.7
323.04495	1.3
341.05508	46.0
342.05557	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
57.06298	0.4
59.01375	5.1
65.92757	0.5
71.01373	2.9
73.02938	1.0
75.00907	0.5
83.01389	0.7
85.02956	0.7
89.02444	2.5
93.03458	57.0
94.03778	1.7
96.96009	4.1
101.02450	1.5
107.05005	1.0
113.02451	1.1
121.02965	4.9
123.04559	0.5
129.02112	0.5
133.02969	0.6
135.04570	0.5
135.08136	0.6
137.02443	100.0
138.02815	2.6
138.03754	0.4
149.02443	1.6
151.04012	15.3
161.02394	0.6
179.03497	15.3
197.15553	0.5
235.13501	0.5
251.12885	0.6
341.11926	0.9
341.16141	0.8
341.19562	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	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03455	0.8
58.00581	1.6
59.01376	100.0
59.98149	0.5
60.01715	1.2
63.57819	0.5
70.63033	0.5
71.01379	56.1
72.01691	0.8
72.99316	1.0
73.02953	1.6
78.05027	0.5
83.01385	1.7
84.14700	0.5
85.02940	7.5
87.00879	1.7
89.02440	72.9
90.02767	1.0
95.01373	3.0
97.02968	0.7
98.22636	0.9
101.02441	25.2
102.02802	0.6
113.02443	19.5
116.59969	0.5
119.03498	25.7
120.03867	0.6
125.02415	0.6
131.03499	3.7
132.07066	0.5
140.21516	0.5
143.03487	6.8
149.04521	2.4
150.46564	0.6
161.04565	7.4
179.05605	29.5
180.05876	0.9
201.31050	0.5
321.32553	0.5
341.10855	39.5
342.11194	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03455	0.8
58.00594	1.2
59.01376	100.0
60.01716	0.8
60.88338	0.7
66.19028	0.7
69.03493	0.7
69.40909	0.7
69.87618	1.3
69.87951	1.1
71.01379	55.2
73.02953	1.6
83.01420	1.5
85.02944	7.5
87.00871	3.3
89.02441	78.4
94.52580	0.7
95.01374	3.3
101.02441	31.1
113.02448	23.7
119.03500	29.3
125.02450	5.1
131.03528	4.1
137.02467	1.0
139.03978	1.1
143.03500	9.1
149.04573	2.2
161.04552	7.8
179.05600	35.3
180.05910	0.9
281.09122	0.9
305.06659	6.4
341.10864	53.3
342.11322	2.0
343.63943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03449	1.8
58.00574	1.2
59.01377	100.0
62.32143	0.8
70.61139	1.5
71.01378	60.2
72.99297	1.6
73.02940	2.3
83.01379	1.9
85.02944	9.1
87.00867	2.3
89.02442	69.0
90.02760	1.5
95.01393	3.4
95.37347	0.8
101.02439	23.4
102.72744	1.0
105.69947	1.0
105.98802	0.9
113.02445	25.6
119.03507	24.1
120.03874	0.8
131.03503	2.8
143.03485	6.2
145.51788	0.8
148.99271	0.8
149.04630	2.1
161.04559	7.4
179.05605	27.5
192.59801	0.8
237.55191	0.9
341.10837	39.9
342.11288	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	Bidenoside D
Peak:m/z	Relative Intensity
50.52623	0.7
51.59883	0.7
54.47628	0.8
55.01868	2.2
57.03436	0.8
58.00594	0.9
59.01376	100.0
60.01691	1.1
60.45197	0.8
66.94383	0.7
69.03438	2.2
70.32377	0.8
71.01378	32.4
71.01777	1.5
72.99323	1.2
73.02943	95.0
74.03276	1.8
76.66965	0.8
76.96806	0.9
83.01388	21.6
85.02949	3.2
89.02446	10.2
95.01372	1.3
96.96022	7.2
99.00876	0.9
101.02438	56.4
102.02753	1.4
103.87508	0.9
113.02447	10.6
114.27113	0.8
118.22961	0.8
119.03500	3.8
119.05028	17.0
120.05351	1.0
125.02439	1.9
129.01990	0.8
131.03493	4.0
137.06076	5.1
138.05620	5.3
142.08560	0.8
143.03487	3.3
149.04546	2.7
155.03442	1.8
161.02432	1.0
161.04538	8.8
175.02522	1.0
179.05519	1.1
184.66211	0.8
205.22360	0.9
210.06973	0.8
254.50632	0.9
299.11429	1.7
341.12607	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	341.1236
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
50.91429	0.2
59.01377	3.6
64.94985	0.3
69.50817	0.5
69.51193	0.5
71.01382	3.0
83.01376	0.4
83.06220	0.3
85.02937	0.3
87.00876	0.4
88.50638	0.3
89.02438	2.8
101.02427	1.2
113.02438	1.3
119.03503	0.8
119.05030	1.8
120.05716	0.3
133.06573	0.5
135.08160	36.0
135.21277	0.4
136.08458	1.2
149.50146	0.3
161.04463	0.5
169.01508	0.3
179.07124	100.0
180.07454	4.8
197.02733	0.3
197.04515	0.6
244.19676	0.3
341.10809	1.6
342.11090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.03061	0.7
57.03446	0.9
59.01377	100.0
64.71147	0.8
68.38780	0.9
70.65176	0.7
71.01379	54.5
73.02933	2.1
83.01373	2.0
85.02946	8.8
87.00848	2.0
87.17406	0.8
89.02444	66.4
95.01366	3.1
96.95992	3.5
100.14821	0.7
101.02436	26.8
101.03864	0.8
113.02450	20.9
119.03507	25.8
119.05003	15.1
120.99641	1.6
123.00832	0.9
125.02397	2.4
131.03506	2.0
131.29425	0.8
131.49242	0.8
137.02428	1.6
139.03976	2.5
143.03477	4.2
149.04532	2.5
161.06073	74.9
162.03267	1.2
162.06389	3.4
179.03409	0.9
179.05594	9.1
179.07104	1.7
190.99715	1.0
193.01337	2.2
206.02252	1.9
221.04546	3.7
305.06631	2.5
341.01920	1.3
341.11374	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	341.1388
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
52.86331	0.7
59.01143	1.4
59.01461	10.1
64.97014	0.6
69.33680	3.2
71.01475	5.9
72.99389	0.8
73.03024	1.0
75.00954	1.1
85.03049	1.4
87.00965	1.3
89.02560	5.5
93.34297	0.7
95.01497	0.7
97.06652	1.0
99.01002	1.6
101.02519	1.2
108.02250	1.3
113.02564	1.3
115.00369	6.0
117.01937	6.8
119.03605	0.8
122.65475	0.6
123.08234	1.0
127.07754	1.5
141.09312	1.3
145.03107	2.8
151.07663	6.9
153.09277	0.9
155.07304	0.7
161.04694	0.6
163.07785	2.5
165.09329	1.1
171.06786	0.9
173.08148	4.4
175.02473	7.5
181.08798	1.6
193.08769	0.8
196.05321	1.1
210.07022	0.8
211.07988	1.1
211.09721	4.4
212.31938	0.7
213.07684	6.3
222.06998	1.3
224.04802	5.3
224.08452	0.9
225.07672	1.2
227.10909	2.5
238.06328	7.2
239.10829	2.3
241.08836	2.4
243.08673	5.9
251.07150	1.5
252.04301	1.5
252.07779	0.9
253.08839	1.5
254.09543	1.3
255.10330	9.6
265.08820	1.3
266.05859	5.2
267.10315	1.6
269.11902	4.1
270.12592	3.6
273.09854	1.5
281.07178	2.8
282.08994	1.6
283.09756	47.8
284.10178	4.7
294.09097	2.4
295.09756	5.6
296.10425	3.5
297.11282	2.7
298.12112	4.3
309.11295	2.3
310.08746	1.0
310.12161	2.1
311.09256	100.0
312.09576	6.7
314.96106	0.8
325.10791	8.0
326.11588	70.5
327.11972	6.3
341.13889	91.4
342.14276	7.4
361.34201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04987	4.5
51.93588	4.4
59.01366	11.1
61.98826	8.7
70.01933	13.1
71.01367	6.2
78.01100	6.0
89.02454	6.5
118.88844	4.8
125.02438	12.1
125.99609	9.9
141.13760	4.8
151.14896	7.4
181.15918	21.7
190.01392	4.5
213.18623	10.6
217.15997	8.8
223.13429	17.2
241.18102	13.9
253.17932	5.0
269.17584	15.9
277.14542	8.9
279.16000	100.0
280.16339	9.5
305.13785	5.6
323.14978	14.6
324.20926	4.8
341.14359	6.2
341.27130	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	341.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	11.6
61.14642	4.4
69.76477	6.5
69.76812	8.3
70.41349	3.7
71.01379	5.3
80.41560	3.8
84.99271	4.3
89.02489	4.9
96.99309	11.6
101.02444	4.4
124.98836	10.9
125.99603	43.6
137.99564	14.0
140.98314	4.9
152.01152	8.3
157.86998	4.2
184.00916	4.9
190.88138	4.2
195.17564	9.2
201.49661	4.5
217.16040	6.8
251.16452	11.1
277.14362	4.7
279.16022	100.0
280.16116	7.0
323.14963	14.8
341.17303	5.9
351.88693	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72238	0.6
59.01378	3.8
61.98831	1.4
64.53666	0.6
71.01376	1.6
89.02446	1.9
89.35621	0.4
94.92522	1.0
101.02382	0.6
113.02451	0.7
116.92835	0.8
119.06821	0.6
121.94421	0.5
124.01678	1.2
125.02529	0.5
137.02489	0.8
138.03230	16.3
151.03996	5.9
165.05630	1.0
170.02278	0.6
179.05702	0.8
195.17564	0.5
198.94432	0.6
241.24248	0.6
305.21210	100.0
306.21567	8.0
341.10907	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22042	0.7
51.96555	0.8
59.01390	1.3
61.98819	1.2
69.03452	2.9
71.21377	1.2
74.64059	0.8
80.02673	1.2
83.05039	1.4
89.02468	1.0
123.00917	3.0
139.03423	0.8
193.16023	3.0
195.17532	100.0
196.17830	5.8
205.15962	2.6
207.17485	2.0
209.19084	7.2
210.19501	1.0
237.18585	13.7
239.16368	1.6
250.15752	3.0
251.16328	1.0
256.82730	0.8
265.18106	4.4
267.16003	90.6
268.16452	6.4
269.21216	1.0
278.93573	0.8
279.26898	8.2
280.27264	1.0
282.18253	1.1
323.25839	2.9
341.26892	14.4
342.27078	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01375	8.8
69.41368	4.3
71.01379	10.8
71.05012	6.1
73.02942	2.8
79.81071	0.9
80.02692	1.4
81.03468	3.1
83.01414	1.4
83.05020	8.5
84.02177	3.3
85.02962	3.7
85.06574	0.9
89.02439	4.2
93.03461	1.0
95.05019	7.1
95.88347	0.9
97.02910	1.2
97.06593	3.0
99.04530	2.0
101.02429	1.8
107.05024	1.9
108.02178	1.0
109.06600	1.8
110.03743	2.4
111.04520	2.5
111.08199	1.0
113.02486	1.9
113.06094	2.4
119.03448	1.1
123.04482	0.9
123.08213	1.4
125.06087	10.6
125.09734	4.0
132.36037	0.8
135.08147	2.5
136.05304	0.9
137.06123	3.1
137.09737	1.0
151.07693	1.1
153.09212	0.9
155.07109	1.4
163.11270	6.5
165.12880	2.3
171.10271	2.8
177.12915	0.9
179.05609	1.3
184.00937	1.2
185.11826	19.4
185.13387	1.5
197.11815	18.8
197.13446	1.5
198.12263	1.4
201.11356	1.7
201.36729	0.9
209.11821	100.0
210.12138	4.4
211.13461	1.7
221.11882	5.5
223.13579	1.1
227.12854	16.7
228.13156	1.0
233.11853	1.5
235.13489	1.3
237.15042	1.3
239.12871	5.7
247.13571	1.1
249.15021	2.2
251.12965	6.7
253.14587	1.6
257.14044	2.3
265.14468	4.3
279.16263	1.7
287.16541	2.6
305.17664	10.2
306.18033	1.4
321.54449	0.8
323.15118	1.5
323.18600	13.6
324.18872	1.0
341.05927	0.9
341.10776	1.6
341.19702	28.3
342.20090	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
59.80131	0.7
70.09383	1.5
71.01363	0.9
87.77554	0.7
89.02423	1.0
101.02417	1.5
123.00889	11.6
124.01660	17.2
125.01876	0.7
132.13403	0.8
193.15921	1.1
195.17535	11.1
265.18073	100.0
266.18375	8.1
269.21255	1.0
297.20706	11.8
341.19598	8.0
341.27042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1965
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
57.00626	0.7
58.00581	2.0
59.00538	0.7
61.98821	1.0
64.81850	0.6
69.03448	1.0
69.59140	0.7
69.59470	2.9
80.02672	1.4
81.03424	0.9
83.05022	1.7
98.22662	0.8
98.43495	0.6
113.89446	0.7
193.15955	6.6
195.17526	35.1
196.17900	1.8
203.16791	0.7
225.18564	2.9
240.97386	0.7
249.70438	0.7
252.55696	0.7
253.18015	1.9
255.19583	5.4
265.18082	4.4
269.21173	5.8
285.20728	11.1
286.21060	0.9
297.20776	1.2
313.20187	7.2
341.19656	100.0
342.19965	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01375	8.8
69.41368	4.3
71.01379	10.8
71.05012	6.1
73.02942	2.8
79.81071	0.9
80.02692	1.4
81.03468	3.1
83.01414	1.4
83.05020	8.5
84.02177	3.3
85.02962	3.7
85.06574	0.9
89.02439	4.2
93.03461	1.0
95.05019	7.1
95.88347	0.9
97.02910	1.2
97.06593	3.0
99.04530	2.0
101.02429	1.8
107.05024	1.9
108.02178	1.0
109.06600	1.8
110.03743	2.4
111.04520	2.5
111.08199	1.0
113.02486	1.9
113.06094	2.4
119.03448	1.1
123.04482	0.9
123.08213	1.4
125.06087	10.6
125.09734	4.0
132.36037	0.8
135.08147	2.5
136.05304	0.9
137.06123	3.1
137.09737	1.0
151.07693	1.1
153.09212	0.9
155.07109	1.4
163.11270	6.5
165.12880	2.3
171.10271	2.8
177.12915	0.9
179.05609	1.3
184.00937	1.2
185.11826	19.4
185.13387	1.5
197.11815	18.8
197.13446	1.5
198.12263	1.4
201.11356	1.7
201.36729	0.9
209.11821	100.0
210.12138	4.4
211.13461	1.7
221.11882	5.5
223.13579	1.1
227.12854	16.7
228.13156	1.0
233.11853	1.5
235.13489	1.3
237.15042	1.3
239.12871	5.7
247.13571	1.1
249.15021	2.2
251.12965	6.7
253.14587	1.6
257.14044	2.3
265.14468	4.3
279.16263	1.7
287.16541	2.6
305.17664	10.2
306.18033	1.4
321.54449	0.8
323.15118	1.5
323.18600	13.6
324.18872	1.0
341.05927	0.9
341.10776	1.6
341.19702	28.3
342.20090	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
57.03448	5.4
59.01371	9.0
69.03448	4.7
70.67161	1.6
71.01385	4.5
71.05020	30.5
80.02672	2.2
81.03463	30.6
82.80779	1.1
83.05028	20.1
84.02206	1.6
85.02969	1.4
87.04493	2.0
89.02466	2.1
93.03423	1.6
95.05027	15.4
97.02943	5.8
97.06577	5.3
99.04524	33.7
101.02444	1.3
101.06074	1.4
106.04255	1.5
107.05032	1.7
108.02158	2.1
109.02921	2.2
109.06584	7.0
110.03746	4.1
111.04518	8.9
113.06099	1.3
119.05032	1.6
121.02979	2.2
121.06600	4.2
122.03776	1.7
123.08157	2.8
125.09709	4.1
133.06612	4.4
135.08185	2.2
136.05206	1.5
149.09651	2.0
151.07634	11.3
151.11336	1.6
153.09183	2.9
155.10789	3.1
159.11905	1.2
171.10272	39.1
185.11853	4.0
189.12817	4.8
191.14432	7.5
193.12338	17.0
199.13376	2.2
201.11325	2.6
205.15891	1.9
207.13928	2.9
209.11850	4.5
209.15486	2.0
211.13353	4.1
218.57397	1.3
225.14890	1.8
233.11639	1.5
235.13374	41.7
236.13750	2.9
243.17516	4.2
249.14859	2.9
253.14447	100.0
254.14679	6.8
261.14984	1.9
264.72812	1.5
266.06247	1.6
279.16028	3.2
287.16528	27.3
288.16870	1.5
297.17145	8.7
305.17572	18.2
323.18475	7.3
341.10690	2.5
341.15894	2.1
341.19708	16.5
341.23465	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01333	0.6
63.45235	0.5
64.87202	0.4
73.67833	0.5
84.02167	19.2
86.11454	0.5
94.55001	0.6
96.47216	0.6
97.02947	7.1
97.06568	0.7
99.04515	5.3
111.52572	0.5
118.51915	0.5
119.08659	2.5
125.09739	1.0
127.11301	1.2
131.73856	0.5
135.08180	1.1
137.09703	1.1
141.59119	0.6
148.28307	0.6
148.49312	0.6
151.66353	0.5
153.61836	0.5
171.10268	54.7
172.10645	2.6
221.11754	0.6
225.15137	0.8
253.14499	1.2
275.28000	0.6
291.19614	1.5
291.62369	0.6
325.69043	0.5
341.23309	100.0
342.23636	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
61.98827	2.5
65.02844	1.4
69.03465	1.6
70.65942	2.7
71.01369	2.3
83.05005	1.5
84.02164	4.7
89.02445	3.2
97.06611	10.8
98.22591	1.4
101.02428	1.5
119.03456	1.3
125.09729	3.3
137.09689	1.8
138.62811	1.4
171.10226	13.3
179.05563	1.9
193.12299	13.3
211.13338	2.9
225.14951	22.4
243.16022	10.3
305.06683	1.7
341.23300	100.0
342.23624	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	341.2485
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
59.01356	1.5
59.06414	0.4
61.98846	0.4
71.01365	1.0
71.45623	0.5
80.61448	0.4
81.03462	2.5
89.02438	0.9
94.01622	0.4
101.43863	0.4
107.05009	0.4
108.02166	0.8
116.32441	0.4
119.03489	0.5
122.03735	11.6
123.04520	2.1
125.02437	0.7
125.97198	0.4
135.04518	16.2
136.05238	0.7
137.02393	0.9
149.06078	5.4
163.07658	1.1
177.09190	1.3
191.10739	1.6
197.26573	0.4
205.12289	0.5
220.41261	0.4
220.72644	0.4
285.17960	0.4
299.23862	2.1
339.23227	2.1
341.24832	100.0
342.25183	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	342.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00223	1.1
52.38415	0.9
55.01862	1.1
57.03444	1.3
59.01377	87.9
60.01722	1.3
71.01379	40.2
72.01666	1.1
72.99284	2.0
73.02932	1.5
83.01385	2.7
85.02948	7.8
88.77801	1.0
89.02444	36.4
93.03455	4.7
95.01363	2.8
98.21790	2.2
98.80284	1.0
101.02442	26.3
109.02950	6.4
113.02447	12.8
118.03004	1.6
119.03500	19.3
120.47511	1.0
123.04510	1.7
127.06494	1.0
132.04570	1.3
137.02473	6.2
143.03557	1.2
161.04472	1.3
162.05597	18.4
166.43671	0.9
177.45903	1.0
178.99802	1.1
179.05630	2.0
180.06674	5.2
181.01434	3.8
181.08783	1.5
188.05980	1.0
194.90164	1.0
267.12344	2.5
271.26886	1.1
342.11914	100.0
343.11972	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	343.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86678	0.2
58.36614	0.2
59.01376	84.0
60.01708	0.7
69.68718	0.7
69.69056	0.3
81.40813	0.2
92.20921	0.2
98.22638	0.4
113.04618	0.4
114.07561	0.2
115.02497	0.3
115.31422	0.2
118.47988	0.2
121.02937	0.3
139.03705	0.2
151.67584	0.2
157.03561	6.8
158.03705	0.5
159.01495	2.3
184.00977	0.4
185.01125	1.7
186.00824	0.3
199.98796	1.6
201.02545	100.0
202.02705	7.6
343.03607	3.1
344.03885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.082
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
58.77226	1.3
59.01366	4.7
61.98835	3.1
63.95826	1.2
65.35476	1.3
65.83494	1.3
70.32829	2.1
81.03484	1.4
83.01385	62.2
95.15516	1.4
96.37936	1.2
101.62766	1.5
106.36443	1.3
123.00890	2.1
123.30948	1.4
189.05589	5.1
215.03514	5.9
229.05072	4.8
231.06625	35.4
232.06902	2.1
257.04568	5.4
257.08417	2.0
259.06128	37.3
259.08899	2.0
260.06458	3.3
269.04489	2.3
279.15854	9.2
286.04929	1.5
299.09344	6.8
313.03574	26.6
314.03931	1.7
315.09009	1.8
328.01889	2.2
328.05850	74.1
329.06375	9.1
343.08203	100.0
344.08688	10.2
344.14633	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	343.082
Annotation	Xanthomicrol
Peak:m/z	Relative Intensity
59.01371	2.0
61.86011	0.7
63.96994	0.7
69.08686	2.4
69.09112	4.0
77.68258	0.9
81.03466	0.8
83.01384	29.0
109.76179	0.8
121.02950	1.0
145.06621	1.1
189.05574	2.4
215.03471	1.5
229.05025	2.5
231.06590	11.7
257.04547	9.0
259.06146	9.1
269.04465	1.1
281.17508	3.1
285.03983	6.7
286.04813	1.2
297.91669	0.8
299.09180	1.6
301.07278	1.2
312.02725	1.2
313.03531	27.9
314.03979	2.8
317.63327	0.8
327.05136	2.0
328.05862	100.0
329.06155	7.9
343.08203	62.2
343.12402	2.2
344.08566	5.7
353.69644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.103
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.03442	1.7
59.01368	2.6
61.98822	1.2
63.04310	0.3
69.72616	1.3
70.98794	0.3
71.01381	1.4
76.81150	0.4
80.23665	0.3
81.03444	0.6
83.01385	0.4
89.02428	0.9
95.01380	1.1
95.05020	19.4
96.05362	0.4
97.02967	0.4
101.02429	0.6
107.04986	0.4
109.02953	1.3
109.06609	0.6
111.04504	0.7
113.02439	0.4
119.05004	1.2
121.02943	1.0
122.03709	0.8
123.00878	12.2
123.01738	0.8
124.01658	3.5
125.02444	6.9
135.04510	1.0
137.02542	2.4
137.06075	100.0
138.03233	6.1
138.05550	0.9
138.06424	3.7
139.03986	5.6
149.02345	0.6
151.03978	0.5
160.50212	0.3
161.04503	0.6
163.03970	0.5
165.01933	1.7
167.03503	1.6
177.05556	0.4
177.18256	0.3
179.03470	1.7
179.06998	0.5
181.05052	50.2
182.05333	1.9
219.06575	1.2
221.04477	0.5
261.07861	0.5
272.19632	0.4
283.08289	0.7
300.10757	0.4
305.06622	9.9
306.07083	0.8
306.99222	0.5
307.07410	0.5
343.10269	16.9
344.10724	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	343.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.8
60.03114	0.6
61.98824	5.4
66.04771	0.5
69.53861	1.4
69.54245	1.2
71.01370	5.2
71.32092	0.6
73.02946	1.3
82.99158	0.6
83.01402	0.9
85.02961	1.7
89.02450	1.4
93.03448	0.8
94.67186	0.6
95.01392	5.2
99.00893	0.5
99.92583	0.8
100.93357	1.2
101.02454	3.4
108.02206	1.4
109.02934	2.0
113.02454	2.2
116.92870	1.4
119.03500	1.1
121.02948	3.7
122.03777	1.3
123.00884	100.0
123.04496	1.6
124.01672	56.4
125.02524	2.8
133.03003	1.2
135.04575	0.8
137.02428	3.8
137.06084	1.4
138.03229	58.1
139.04015	64.9
140.04333	2.1
147.04518	0.6
149.02449	2.9
150.03220	2.5
151.04004	2.3
161.04558	1.7
163.03998	2.0
164.01157	0.8
165.01910	3.7
166.02763	3.1
167.03517	1.5
175.04016	0.8
177.01915	18.8
178.02451	1.2
179.03470	2.5
179.07094	0.9
180.06599	0.8
181.05064	5.2
181.06839	1.2
193.05000	1.6
203.05647	0.9
219.03011	1.2
219.06638	0.7
223.06068	1.1
252.27200	0.6
283.08282	1.8
297.06171	5.4
305.06604	4.7
305.12473	0.7
306.99139	3.6
328.07974	1.0
343.01657	0.8
343.10333	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
50.46055	0.3
54.17543	0.3
59.01380	1.9
65.92522	0.3
68.59148	0.3
69.45715	0.9
69.46130	0.5
71.01381	1.0
76.15984	0.3
89.02448	1.1
101.02435	0.7
113.02476	0.4
121.03001	1.6
122.03733	42.3
123.04066	1.4
125.02400	0.3
137.06079	23.1
138.06439	0.9
165.01950	0.4
181.05058	100.0
182.05383	3.8
255.62248	0.3
307.14014	0.5
343.13708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
58.19806	1.2
59.01384	12.0
59.94223	1.5
62.68296	1.2
69.32213	4.9
71.01382	4.0
72.99318	1.9
73.02930	1.6
73.68308	1.2
74.20539	1.2
79.05552	1.5
80.87660	1.2
83.05014	1.9
85.02959	1.2
89.02447	2.7
91.05519	2.1
93.03464	4.2
95.01405	1.4
96.02110	1.5
97.02923	2.2
98.22611	2.7
100.37629	1.4
101.02467	2.6
103.05530	4.4
105.03440	2.0
105.07111	3.7
109.02941	5.6
109.06541	1.6
111.04514	1.9
118.98081	1.9
119.05039	4.9
121.02966	9.6
121.06571	1.8
122.03719	7.2
123.00867	1.9
123.04518	9.8
124.01670	9.2
125.02436	13.7
133.06525	1.6
134.03745	1.5
135.04506	6.3
136.05280	15.9
137.02431	5.2
137.06071	13.2
138.03217	3.1
139.04005	84.8
140.04344	2.7
141.13805	1.2
143.05000	1.4
145.06628	2.2
146.03712	11.8
147.04529	12.7
148.05330	2.9
149.02460	1.7
149.06078	11.4
150.06235	1.3
151.03986	14.3
159.04547	2.4
160.05281	2.8
161.06108	6.1
162.03264	3.7
163.03987	4.5
163.07640	12.3
164.04688	1.7
165.01927	2.9
165.05548	20.7
166.02707	8.6
167.03403	6.3
175.04016	5.7
177.01912	2.7
177.05563	4.3
179.03503	3.6
180.04147	3.4
180.07893	19.0
181.05061	58.2
181.08667	35.7
182.05429	1.8
189.05576	10.5
190.02693	4.7
191.03485	93.5
192.03777	3.7
193.05049	20.2
195.06604	52.3
197.04610	2.6
205.05051	26.5
206.05368	1.6
207.06712	1.4
213.05794	1.3
219.06636	1.5
221.04552	9.4
223.06102	62.0
224.06497	3.7
233.04509	21.1
237.52545	1.3
249.04387	1.4
293.06561	1.6
305.06708	17.1
307.07086	1.6
307.14020	5.6
311.07733	29.5
312.08188	2.2
343.10318	100.0
343.13748	4.7
344.10587	8.2
344.14224	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	343.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.7
71.01392	14.5
73.02963	16.3
98.22681	35.2
113.44061	13.5
130.08687	14.2
138.05640	92.3
155.10040	14.3
159.54596	13.0
184.32515	13.8
194.56721	13.8
197.78500	14.2
199.62897	14.5
229.38708	15.3
300.10828	100.0
307.13834	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	343.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38890	6.8
59.01383	40.4
61.98825	7.8
71.01389	14.2
71.43886	9.4
74.25596	7.5
75.00873	7.5
88.04812	6.0
95.51143	6.0
113.02463	8.9
121.02959	14.6
125.02509	8.1
130.08760	11.7
135.04514	9.0
137.06126	12.2
138.05621	100.0
139.04016	14.5
166.02736	10.3
169.01552	7.8
181.05075	29.3
181.08688	17.1
209.11830	7.8
242.06142	8.6
249.64481	7.3
299.02225	7.1
300.10941	49.4
325.13043	8.7
343.09958	18.3
343.13904	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33282	0.7
55.01866	0.8
57.03449	1.4
58.00597	1.1
58.56097	0.7
59.01377	100.0
71.01380	51.0
72.99312	1.4
73.02949	0.9
74.49306	0.7
79.19061	0.7
83.01403	2.2
85.02947	8.9
87.00875	1.9
89.02442	66.3
90.02803	1.5
95.01376	3.9
96.96027	1.6
99.00937	0.9
101.02444	26.2
102.02810	1.0
110.61433	0.8
113.02448	20.6
113.03244	1.1
119.03504	26.1
120.61969	0.7
122.03725	1.4
131.03525	2.5
137.06100	13.1
138.06438	0.9
143.03529	2.7
149.04579	1.0
161.04597	2.6
163.04012	3.6
163.07642	37.4
164.07988	1.6
179.05643	3.7
179.78697	0.8
181.05051	16.6
181.06503	1.2
182.05414	1.0
223.06165	1.5
307.14008	1.3
343.10336	2.2
343.14093	1.8
343.17712	1.1
355.23837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	1.2
69.57066	0.5
71.01379	3.2
89.02441	5.4
91.85110	0.4
101.02470	1.2
113.02487	1.6
119.03503	1.9
119.05051	0.5
124.61635	0.4
129.71368	0.4
161.04727	0.5
179.05669	1.0
204.24028	0.4
262.60989	0.5
329.89572	0.5
343.08502	0.6
343.13971	0.8
343.17746	0.7
344.17136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88145	0.6
52.94249	0.6
59.01380	100.0
60.01714	1.5
62.20303	0.6
69.21524	0.5
71.01381	4.3
72.99316	2.1
73.72726	0.6
78.32503	0.5
82.04166	0.6
85.02998	0.7
89.02449	6.3
92.67873	0.5
98.21683	0.9
101.02453	1.5
103.98351	0.5
109.02978	1.2
113.02495	1.8
117.05578	0.8
119.03519	1.5
141.12907	0.6
211.17087	2.0
237.14975	0.7
255.16095	1.8
269.13965	1.5
316.10767	0.6
325.12866	0.9
343.13995	1.5
343.17645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	1.2
69.57066	0.5
71.01379	3.2
89.02441	5.4
91.85110	0.4
101.02470	1.2
113.02487	1.6
119.03503	1.9
119.05051	0.5
124.61635	0.4
129.71368	0.4
161.04727	0.5
179.05669	1.0
204.24028	0.4
262.60989	0.5
329.89572	0.5
343.08502	0.6
343.13971	0.8
343.17746	0.7
344.17136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	32.8
61.98834	22.3
63.43800	11.3
65.97435	11.3
70.91937	13.5
70.92281	15.0
74.11972	12.8
77.67590	11.7
78.01123	36.3
81.03430	17.1
83.05007	62.6
92.05145	14.5
109.03055	11.8
109.17322	11.4
163.77657	14.1
166.20729	15.1
167.14378	29.9
178.94263	11.9
191.14378	100.0
199.98784	15.9
209.11848	16.7
215.16501	29.0
223.17044	25.0
245.03821	14.4
252.71997	13.7
281.17465	16.2
289.18015	26.8
307.15817	16.9
307.19183	29.1
343.04034	92.1
343.21179	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	343.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57740	0.9
69.65764	2.2
69.66151	2.4
78.01096	7.5
98.22638	1.7
125.99575	10.4
137.99609	2.0
139.00343	3.2
180.59004	1.2
195.17499	3.1
197.19144	1.9
205.65532	1.2
219.17537	24.0
251.16475	1.9
265.15173	1.0
279.15982	10.1
280.16153	1.2
281.17557	100.0
282.17902	6.1
285.95731	1.1
307.15491	2.5
325.16510	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	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67638	2.0
57.37534	1.8
57.37837	1.8
57.54682	2.3
59.01379	11.7
67.82238	1.8
69.82473	1.8
70.66405	3.3
71.01380	33.9
73.02944	2.0
75.48257	2.0
78.01105	8.6
83.05015	2.4
87.18115	1.9
97.02966	2.9
109.06599	15.7
111.01027	1.9
123.00870	1.9
125.99617	5.8
139.00381	4.4
163.11270	10.6
171.10222	3.0
181.12326	2.6
184.92920	2.2
185.11789	3.4
195.17502	3.6
197.19145	2.5
199.09738	2.3
207.10272	16.6
219.17509	13.7
225.11288	4.6
267.15979	7.2
269.17499	3.1
279.16000	6.5
281.17563	100.0
282.17883	8.1
284.19910	17.2
296.98633	2.0
307.15485	6.4
325.16541	11.4
343.21741	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	343.2122
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.01564	0.6
53.87511	0.7
57.03440	3.2
59.01384	5.5
69.03448	1.6
71.01372	1.5
71.05006	1.1
72.99312	1.0
76.27513	0.7
81.03471	0.8
83.05028	1.9
84.02166	1.5
85.02943	6.6
87.00864	1.7
95.05021	2.0
97.02928	3.7
97.06601	2.3
101.02460	0.8
111.00882	11.0
111.08159	1.8
121.02940	1.1
123.08147	2.6
123.80312	0.7
125.09748	2.1
127.11230	0.7
135.08134	1.5
136.04013	1.3
137.09738	2.9
141.09207	3.4
147.03265	1.1
153.09264	0.8
156.11130	0.7
171.10277	9.6
173.00957	0.9
181.12354	4.5
182.04590	3.3
187.09758	6.4
201.11366	1.3
201.69247	0.7
209.11884	2.0
211.13350	4.1
219.71211	0.7
227.12831	1.6
229.14462	4.1
237.14925	1.4
255.12453	1.4
271.55722	0.7
325.20081	2.3
343.00735	1.3
343.21243	100.0
344.21582	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.0
69.03466	1.9
71.05026	1.2
80.02682	3.9
81.03448	2.7
83.05027	13.1
84.02167	3.8
95.05042	1.6
99.92574	2.0
113.30983	1.2
121.02969	1.5
125.09719	1.9
127.31348	1.1
127.60979	1.2
135.08153	2.7
153.09169	1.7
163.11282	7.7
165.12875	4.9
171.10271	7.3
181.12289	1.4
185.11830	2.4
191.10788	2.1
197.11859	1.9
209.11823	100.0
210.12233	4.4
211.13544	1.9
211.17017	4.7
233.11591	1.7
339.62152	1.3
343.08514	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.12467	2.4
59.01376	8.7
72.99257	2.7
99.08174	4.7
108.16041	2.0
111.25378	2.0
121.02948	4.2
121.10206	5.2
171.10262	30.9
185.01062	2.4
193.12291	11.8
199.98746	3.7
201.02597	3.0
211.13380	3.7
225.15001	16.2
243.15865	5.1
281.17575	3.3
293.21252	2.8
305.06885	2.4
340.46704	2.1
343.24905	100.0
344.25253	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	343.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03716	2.1
59.01375	2.8
61.98816	2.6
70.77463	3.8
76.13690	3.3
80.05276	2.4
118.17590	2.4
121.02932	3.5
121.10256	9.0
125.88876	2.5
171.10266	61.5
172.10591	4.6
185.91309	2.8
199.98769	3.1
343.03888	3.1
343.24884	100.0
344.25189	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03434	0.6
59.01368	0.6
69.03418	0.6
73.88389	0.4
97.06590	0.6
99.08152	3.6
121.10211	6.1
125.09729	1.3
127.11266	1.1
135.66463	0.4
137.09727	1.9
139.11317	1.2
165.12848	0.5
165.96977	0.5
171.10265	39.4
172.10582	1.7
193.12367	5.1
194.12706	0.5
208.86250	0.5
211.13443	1.9
225.14937	7.5
243.15944	2.6
293.21259	3.3
325.24020	0.6
343.24869	100.0
344.25189	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	343.2639
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
55.58928	0.4
69.18180	1.9
79.05526	0.5
81.03462	4.0
83.05011	0.5
90.93127	0.3
106.28018	0.4
122.03728	4.8
123.04512	1.3
135.04517	4.3
146.22929	0.4
149.06064	1.6
163.67654	0.3
177.09096	0.4
194.66739	0.3
301.25360	5.0
302.25583	0.5
343.26389	100.0
344.26752	11.3
344.30933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.3
61.26192	2.5
69.07464	15.5
71.01369	11.1
81.03395	3.1
83.01363	4.2
85.02956	2.5
89.02430	8.1
93.03445	4.3
95.01417	12.8
95.05038	4.2
97.02960	3.2
101.02442	8.4
109.02921	6.4
110.09441	2.5
111.04485	3.6
113.02442	9.4
119.03461	3.2
121.02944	7.9
123.00880	100.0
124.01683	36.2
125.02435	39.2
126.02800	20.2
132.98222	2.7
136.05637	2.4
137.02451	18.0
137.06006	3.3
138.03242	84.8
139.00325	2.7
139.04008	60.5
140.04346	8.1
143.03430	3.6
149.02313	3.4
151.07607	5.1
152.08057	4.3
161.04544	16.8
163.44991	3.2
165.01833	8.8
166.02489	9.2
166.99837	6.1
167.03412	5.4
168.00627	67.2
168.03804	4.4
169.01450	4.3
178.02753	3.8
179.03424	5.7
179.07118	7.0
180.00674	5.3
180.03856	7.6
180.07430	10.3
181.05009	9.3
183.02969	76.1
193.05038	5.4
219.06561	3.4
220.07031	5.5
222.04903	3.0
225.04044	5.8
226.34944	3.5
245.51642	3.0
248.96054	3.0
301.09235	46.6
306.07001	74.3
307.07120	8.3
308.07098	3.8
330.05740	3.4
344.10666	2.8
345.08200	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	344.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
69.04087	0.3
71.45233	0.2
71.45710	0.3
91.50143	0.2
93.87046	0.2
96.95890	0.3
96.97498	0.2
111.00905	0.3
123.04583	0.5
137.02438	2.3
151.03972	1.6
152.04793	4.6
167.02249	2.8
180.02963	0.4
181.03809	3.3
182.04575	100.0
183.04961	3.6
188.95187	0.2
196.27751	0.2
199.90768	0.2
230.74918	0.3
288.67270	0.2
344.09833	23.2
345.10150	1.7
345.23877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64616	1.0
57.03447	1.6
58.00586	1.3
59.01378	100.0
60.01704	1.2
68.99514	1.0
71.01378	48.4
72.99297	1.9
73.02953	2.5
83.01340	2.6
85.02959	10.4
87.00872	2.2
89.02443	52.4
95.01397	4.3
101.02447	26.4
113.02451	17.2
119.03490	18.4
122.69092	1.0
131.03517	2.4
136.00810	1.0
136.05247	1.8
143.03506	2.9
148.84659	1.0
149.04558	1.9
152.03511	1.9
161.04553	3.9
165.04250	1.9
166.05087	13.3
179.05638	8.7
180.03000	3.3
182.04568	43.5
183.04956	1.1
194.04585	1.4
197.22357	1.1
206.04630	1.7
222.09282	1.2
224.05576	9.4
236.05600	5.4
250.87659	1.2
254.06554	1.9
262.06281	1.1
284.07690	3.2
301.20154	1.1
344.09833	65.5
344.17947	3.8
345.10391	6.3
345.15457	6.8
345.19238	3.3
345.23911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42621	0.1
53.86171	0.1
55.01860	0.6
56.74129	0.1
59.01349	0.1
61.98818	0.2
65.00315	0.4
76.12507	0.1
81.03452	28.8
93.07107	0.6
95.05019	1.9
95.05608	0.1
99.92585	0.2
102.76024	0.1
107.05025	0.5
109.02936	0.3
109.06598	0.1
110.03761	0.4
118.89945	0.2
119.94696	0.1
122.03724	1.1
123.04521	0.5
125.02430	0.2
133.06573	0.2
135.04491	0.3
135.08118	0.1
136.05290	1.3
137.06075	100.0
138.03226	1.0
142.02670	0.1
149.06079	0.1
151.04051	0.2
163.82219	0.1
165.01881	0.1
166.02690	0.7
177.05530	0.1
180.04256	0.4
191.07114	0.2
198.01674	0.1
218.24048	0.1
241.36157	0.1
251.16457	1.1
279.15988	14.2
280.16309	1.0
289.21707	0.1
301.14127	0.2
301.25629	0.1
303.23166	0.2
305.09485	0.1
344.08344	0.3
344.14856	1.0
344.23376	0.2
345.24304	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55555	0.9
61.98830	65.5
62.51235	0.8
69.35376	3.7
78.10675	0.8
91.81089	0.9
96.99274	1.1
106.91973	0.8
110.14578	0.8
112.86432	0.8
125.99596	8.3
138.52336	1.1
195.86209	1.0
197.19052	1.7
281.17575	100.0
282.17923	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	344.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72151	100.0
76.19453	35.2
78.72640	36.2
184.93201	39.4
279.16226	56.5
301.16684	93.5
344.14816	45.1
347.54547	40.6
365.35141	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	345.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83181	0.4
59.01376	3.2
69.79136	0.9
70.88972	0.4
77.03951	1.5
83.01381	1.2
83.05067	0.5
85.02977	0.7
91.99695	0.5
93.03455	1.5
96.95900	0.4
97.02943	3.4
98.22605	0.6
109.02921	0.7
111.36733	0.5
121.02961	4.8
123.04520	1.0
137.02446	20.6
138.02748	0.5
165.01927	100.0
166.02248	3.4
211.85046	0.5
345.06186	2.0
345.22833	0.6
345.26440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0824
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.32087	0.5
52.48421	0.5
52.51517	0.6
59.01377	1.5
70.20895	0.9
70.49741	0.6
70.65784	0.6
92.25877	0.5
95.01383	4.2
115.87823	0.5
123.00886	12.3
123.01739	1.0
124.01664	33.1
125.02482	4.8
137.02440	1.1
138.03252	1.3
139.00371	1.4
139.04010	4.1
152.27892	0.6
154.61995	0.5
162.36711	0.6
166.02721	0.8
166.99837	5.0
168.00639	85.3
169.01379	7.0
180.00609	0.7
181.01428	0.6
183.02982	100.0
184.03282	3.7
225.04124	0.6
278.10818	0.6
307.07050	1.3
317.24774	0.6
330.05786	3.6
345.08203	5.6
345.24298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0825
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01369	2.3
60.53691	1.1
71.01379	2.6
71.13580	1.7
85.48413	1.1
86.08244	0.9
124.01656	21.9
125.02412	1.7
126.66417	1.2
136.01672	9.1
137.02461	2.4
138.03224	40.2
139.04074	2.8
151.04073	1.2
152.01143	28.1
152.02361	2.1
153.01913	7.0
164.01122	1.3
166.02702	24.7
166.04015	2.0
166.99896	1.9
168.00594	1.9
178.02692	3.0
180.00638	65.3
181.01073	2.0
181.05078	3.6
182.02138	2.4
183.03012	2.2
183.70087	1.2
192.00676	4.7
193.01427	4.9
194.02202	1.4
194.99356	19.0
195.02989	13.4
196.03731	7.9
197.04526	1.2
205.01498	3.4
206.02245	2.8
208.03819	1.4
210.01743	3.8
221.34557	1.1
222.01691	3.9
225.04048	15.4
234.01711	4.1
237.04042	5.4
237.93739	1.2
249.04120	4.4
255.05063	11.8
286.06635	1.3
301.09119	1.8
327.07199	2.0
330.05896	14.6
345.08252	100.0
346.08542	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	345.0825
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.82521	0.3
59.01354	0.8
63.00009	0.3
69.11205	0.4
69.11611	1.5
71.01380	0.4
85.43341	0.3
87.00845	0.3
95.01366	0.3
98.21785	0.5
101.12859	0.2
111.00883	0.8
116.65511	0.3
118.22490	0.3
123.00877	3.4
123.04543	2.3
124.01656	13.0
125.02005	0.5
134.94290	0.3
136.98813	0.7
139.00354	1.2
140.01129	2.0
141.01938	0.7
149.50859	0.3
161.04512	0.4
166.99841	3.3
168.00632	6.0
169.00996	0.4
172.59340	0.3
182.02197	9.3
183.02974	100.0
184.03316	3.6
307.06976	0.3
317.24884	0.5
345.08243	35.2
345.24384	0.8
346.08521	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	345.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97371	0.7
55.85498	0.8
58.32586	0.9
59.01365	1.5
68.91227	0.8
69.07788	2.0
69.08187	3.3
71.01385	2.7
89.02446	1.3
90.72137	0.7
95.01391	1.1
106.08374	0.9
109.02990	1.2
112.01199	0.8
115.00380	1.1
123.00876	2.5
124.01651	28.6
125.02433	2.8
133.01460	2.1
136.01630	7.7
137.02428	3.4
138.03226	36.3
138.04298	1.9
139.00352	1.8
139.04053	7.7
149.02448	1.0
151.00293	1.2
152.01149	23.8
153.01952	7.2
166.02711	25.9
166.99843	2.1
168.00644	14.8
169.01323	0.8
178.02713	2.9
180.00635	62.4
181.01009	2.4
181.05034	6.4
182.02211	2.1
183.02977	22.0
192.00638	3.6
193.01418	4.2
194.02171	1.3
194.99329	16.9
195.02957	14.4
196.03726	8.5
205.01418	5.6
206.02237	2.2
208.03761	1.9
209.00928	1.4
210.01735	4.2
211.06137	1.0
222.01642	4.5
225.04036	15.7
232.03755	0.9
234.01753	5.3
237.04082	6.0
249.04016	3.6
255.05112	11.2
268.05234	0.8
269.03506	1.0
312.04922	0.8
327.07239	2.6
330.05869	14.2
331.06030	1.0
345.08249	100.0
346.08569	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	345.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07975	2.8
59.01375	47.1
63.96638	2.8
66.20060	2.8
73.02942	97.6
73.03356	4.9
90.84133	3.3
123.08206	5.3
167.07117	3.5
197.11816	100.0
241.10759	14.2
259.11871	4.6
273.17026	13.8
301.12979	13.0
345.13309	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01380	8.2
69.85854	1.4
71.01385	9.4
71.39793	0.6
73.02941	3.7
75.45940	0.6
79.05515	3.8
81.03464	2.8
83.01372	1.4
85.02948	4.9
89.02420	0.7
95.01363	1.0
95.90286	0.6
98.22556	1.3
99.00881	0.8
101.02440	6.6
113.02455	4.6
115.44907	0.7
123.00897	1.5
123.04522	100.0
124.01658	3.3
124.04858	3.4
125.02458	0.9
128.31140	0.7
130.08789	0.6
134.60455	0.8
139.04019	0.7
147.04578	1.1
150.03189	1.1
159.03038	1.5
161.04564	17.8
162.04910	0.8
165.05562	0.9
166.99870	0.8
168.00574	2.1
168.04297	0.7
182.02223	2.2
183.02985	24.5
183.06619	2.7
184.03423	0.7
192.99687	0.8
193.01474	0.7
197.04604	2.0
255.05168	2.5
285.09866	4.0
345.08383	8.4
345.12363	1.3
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	Galiridoside
Peak:m/z	Relative Intensity
53.82177	1.2
54.69651	1.3
54.78857	1.3
57.03438	1.5
57.82853	1.3
58.00594	2.3
59.01376	100.0
60.50467	1.2
63.02388	1.6
65.00314	4.2
69.08738	9.4
71.01378	53.7
72.99306	2.1
73.02934	4.3
73.54134	1.3
74.99096	3.1
75.00861	1.6
83.01363	8.5
85.02946	14.8
87.00879	3.9
89.02440	51.4
95.01370	4.9
98.22630	2.6
99.00846	3.5
101.02441	31.6
107.01366	6.9
108.02094	1.7
113.02447	25.8
118.98092	14.7
119.03497	19.8
120.99622	3.3
122.03747	2.0
122.06073	1.4
123.04508	5.7
124.01594	1.6
125.02438	3.0
131.03531	1.9
137.02435	5.4
139.03958	2.4
143.03474	3.6
149.04456	1.4
151.00357	29.9
151.03990	3.2
152.04753	5.5
152.79839	1.2
153.01927	10.9
161.04575	2.6
165.05641	1.5
167.03473	4.0
167.07109	6.2
168.04295	15.4
169.01431	3.5
179.05609	4.4
179.07089	2.2
183.03029	8.5
183.06610	44.1
187.06313	1.7
195.02917	2.4
204.06726	2.3
205.07498	2.6
210.05315	8.4
224.06538	1.5
225.07704	12.5
239.51880	1.5
285.09671	1.6
307.13898	2.6
313.05646	9.2
314.05908	1.5
317.24649	5.0
327.13400	3.9
345.11807	78.3
345.24084	8.5
346.12134	5.7
353.12195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59295	8.6
50.94297	7.5
55.28720	8.2
55.53168	10.2
57.75463	8.9
58.64271	8.4
59.01370	9.6
61.98800	10.6
66.15917	7.7
69.87303	23.3
71.12026	7.8
98.22604	8.5
110.75317	8.2
122.00470	7.9
123.04505	18.7
151.14914	9.3
167.14403	100.0
180.09854	8.7
199.16986	22.7
223.13353	17.3
239.12828	46.8
251.12915	8.9
255.16060	18.9
266.72635	8.8
268.13312	13.0
269.13986	16.7
283.15573	20.3
309.20679	14.4
327.14252	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73452	1.1
55.01867	4.7
57.03436	3.4
58.00597	1.2
59.01373	100.0
60.01706	1.6
69.34348	5.3
71.01373	76.6
72.01717	1.7
72.99313	1.6
73.02940	18.0
77.00572	1.0
80.18039	1.0
83.01379	9.6
85.02942	27.5
87.00879	2.5
89.02436	47.7
93.47301	1.1
95.01385	5.7
96.63625	1.2
97.02927	1.6
98.21859	2.4
99.00846	6.0
101.02435	52.5
102.02827	1.3
113.02444	33.2
114.26586	1.2
119.03485	19.1
121.10214	13.8
121.20557	1.2
125.02472	1.3
131.03545	1.6
143.03482	4.5
149.04527	2.8
159.02983	4.2
161.04543	17.3
165.09193	12.3
166.09546	1.2
179.05663	2.5
183.10225	2.2
301.16547	1.3
345.15506	74.3
346.15799	6.3
347.40985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53608	1.5
55.01874	5.1
57.03448	4.1
59.01376	95.4
62.77314	1.5
69.62820	4.8
71.01378	52.5
73.02947	12.3
83.01389	6.2
85.02952	20.9
89.02438	39.4
90.23155	1.5
91.43404	1.6
91.51029	1.6
95.01384	3.9
98.21841	3.2
99.00835	3.5
101.02434	49.3
113.01666	3.0
113.02428	23.3
119.03494	17.0
121.10230	6.2
131.03500	2.4
143.03481	2.0
145.45149	1.6
161.04532	5.1
165.09137	2.3
170.69731	1.7
183.10217	1.9
225.04515	1.9
267.03546	1.8
303.54486	1.7
345.15497	100.0
346.15845	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	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
57.03441	6.1
58.00587	3.6
59.01377	96.8
60.01722	1.4
69.03448	2.6
69.60116	4.9
71.01378	61.3
71.05016	10.9
71.36645	1.2
71.60394	1.3
72.99279	2.3
73.02943	17.5
81.03444	3.5
83.01382	4.7
83.05000	4.4
85.02953	19.8
86.18156	1.2
87.00861	1.9
89.02443	52.2
93.03470	3.2
95.01392	7.4
95.05035	2.8
97.02927	1.9
99.00881	4.1
99.04520	1.4
101.02443	36.3
101.06071	10.6
109.02979	1.8
111.04488	4.4
113.02446	26.1
119.03503	21.6
119.05025	3.2
121.10206	1.6
123.04528	7.5
125.02457	9.1
126.87599	1.3
131.07162	2.7
137.02409	2.9
137.06064	2.7
138.24934	1.2
139.11290	10.4
143.03545	2.6
153.12840	10.1
159.02960	1.8
161.04575	6.7
165.09158	3.9
167.03497	15.1
167.14343	1.7
179.03493	8.5
179.05656	1.4
183.10278	11.1
183.13911	8.3
189.05573	1.5
193.04956	1.4
193.15898	3.8
197.04538	3.7
221.11842	1.4
239.05675	1.8
255.19701	8.8
257.21231	3.2
273.07761	7.3
283.19083	5.1
301.20175	35.2
302.20554	2.5
307.15479	1.7
327.18179	4.4
342.37576	1.3
345.06000	2.6
345.09927	29.8
345.15381	16.8
345.19119	100.0
345.23871	3.2
346.10245	2.5
346.15735	2.4
346.19479	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	345.1553
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
57.03426	2.2
58.30229	1.4
59.01379	73.1
71.01380	32.3
72.99313	3.5
73.02959	4.1
82.45304	1.4
85.02946	8.2
89.02444	27.7
95.01363	3.4
98.22613	1.7
101.02445	21.6
111.00872	1.8
112.04077	1.7
113.02478	9.9
113.03119	1.8
119.03492	12.2
121.10227	30.5
122.10586	2.8
122.66519	1.5
123.04520	3.2
134.04710	1.8
137.09691	7.9
165.09203	58.6
166.09526	2.4
169.78452	1.5
175.89828	1.5
183.10257	34.1
183.11775	2.4
201.12933	2.3
233.07497	1.7
302.10431	4.6
319.80170	1.5
345.15564	100.0
345.22403	26.9
346.16196	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	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01368	6.5
69.11544	9.0
71.01387	2.8
72.99306	53.9
73.02924	2.1
85.02931	2.5
98.00101	1.2
101.02441	1.7
111.00864	1.8
123.04531	2.5
151.07617	1.5
153.09323	1.7
157.08701	1.4
211.17053	6.0
225.15079	1.3
227.16515	41.5
228.16788	3.1
239.16550	15.4
240.16673	1.6
244.30701	1.2
263.13025	2.2
271.15494	100.0
272.15964	4.9
283.15506	28.3
283.18451	2.8
284.15778	1.7
285.10989	3.6
322.91351	1.6
327.14487	5.2
345.15857	7.1
345.22812	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	345.1917
Annotation	(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01878	2.7
57.03444	6.7
58.00585	2.1
59.01377	100.0
69.03454	2.6
69.21541	6.6
71.01379	59.4
71.05013	8.6
72.99312	3.0
73.02942	16.0
73.06577	1.0
81.03448	2.0
83.01389	5.3
83.05037	2.7
85.02946	15.1
89.02443	51.5
93.03461	2.4
95.01385	5.0
95.05034	2.4
97.02962	2.3
99.00875	2.4
99.04511	1.7
101.02441	34.6
101.06088	8.1
111.04499	3.4
113.02448	26.4
117.67701	1.0
119.03503	26.7
119.04949	1.7
123.04552	5.5
125.02437	7.1
131.03459	1.9
131.07146	2.7
131.69293	1.1
137.02477	2.3
139.11292	6.7
143.03462	2.6
149.04509	2.2
150.03108	1.3
153.12822	8.0
161.04544	8.5
165.09215	2.9
165.12863	1.6
167.03502	13.0
179.03511	7.0
179.05473	1.5
183.10257	6.8
183.13885	6.0
189.05597	1.2
193.15952	3.6
197.04532	3.8
207.17593	1.3
221.11790	3.2
238.69150	1.2
239.05568	1.6
255.19621	4.0
257.21213	3.5
271.72791	1.1
273.07684	6.4
283.19153	3.2
284.19501	1.7
295.89413	1.3
301.20187	29.3
302.20569	1.9
303.65552	1.1
317.24728	3.2
321.28180	1.2
327.17966	3.2
336.86057	1.3
345.06049	2.1
345.09943	29.1
345.15381	13.4
345.19128	77.0
345.23932	3.8
346.09961	2.8
346.19556	7.4
346.23495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.228
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03424	1.5
59.01356	1.8
64.35630	0.5
65.95367	0.6
67.91615	0.6
69.28633	1.1
69.29039	2.9
71.01363	0.7
82.16887	0.6
83.12386	0.6
97.06596	0.7
98.90997	0.5
111.00872	0.8
122.03726	1.1
123.04520	1.7
125.09716	2.5
127.11285	1.1
139.11287	1.6
153.12787	0.7
155.10799	1.0
171.10265	2.4
171.92148	0.6
177.16508	0.9
199.09682	0.6
201.11383	0.8
247.20663	11.4
248.21002	0.8
265.21692	9.1
273.18610	0.9
283.22620	1.0
291.19620	4.7
301.23849	1.8
307.18842	0.8
309.20685	13.2
310.20966	1.2
317.24860	2.4
327.21735	19.7
328.22076	1.4
345.22778	100.0
346.23114	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	345.2433
Annotation	Volemolide
Peak:m/z	Relative Intensity
53.50978	1.3
80.69952	1.3
82.59375	1.4
109.49422	1.5
122.03739	25.6
123.04526	4.4
282.08075	1.4
301.25339	2.7
317.24805	38.9
318.25198	3.9
345.24319	100.0
346.24808	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	345.2432
Annotation	Acetyldictyolal
Peak:m/z	Relative Intensity
69.81490	1.0
69.81829	0.6
81.03452	4.3
107.04992	0.5
122.03740	5.3
123.04503	0.8
135.04523	1.5
137.02452	0.5
137.06024	1.4
145.15433	0.5
148.76251	0.5
150.03200	0.6
176.56923	0.5
223.16850	0.5
241.02455	0.5
275.23788	9.8
276.24155	0.6
301.25201	0.7
317.24823	81.2
318.25204	9.2
345.24313	100.0
346.20505	0.7
346.24725	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2432
Annotation	(6E)-2alpha,9alpha-Epoxyeunicella-6,11(12)-dien-3beta-ol
Peak:m/z	Relative Intensity
55.01880	10.5
58.08751	0.3
59.01375	3.3
66.62912	0.3
69.03464	0.9
69.75480	0.8
69.75869	0.8
82.60017	0.3
84.04285	0.4
84.73832	0.4
95.05018	4.6
97.02917	0.9
98.21851	0.8
99.99358	0.3
103.09783	0.4
108.80343	0.4
111.57247	0.3
122.03760	1.3
124.51807	0.4
135.04503	0.5
136.05302	4.2
137.06071	0.6
149.06076	3.9
163.07623	1.7
205.12369	0.5
247.20647	5.3
301.22018	0.5
303.23282	100.0
304.23608	10.4
317.24786	0.4
319.45493	0.4
345.24319	52.4
346.24594	5.2
361.56604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2432
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
50.27144	0.6
61.98827	0.9
62.09935	0.6
71.00292	0.7
74.86273	0.6
77.66789	0.5
93.03468	0.6
109.02881	0.6
111.66535	0.6
122.03732	100.0
123.04060	1.9
137.06078	73.2
138.06398	2.5
169.99091	0.5
172.70952	0.6
174.36676	0.6
177.05499	1.0
183.71674	0.5
240.01378	0.6
240.29742	0.6
271.22726	1.0
300.77942	0.6
345.24316	96.1
346.24710	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	345.2431
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
51.55362	1.1
59.01369	1.7
68.13827	1.2
81.03454	26.2
82.91331	1.3
84.83734	1.3
94.73369	1.1
122.03796	2.2
123.04488	1.7
137.06079	100.0
138.06453	2.2
345.24332	74.1
346.24722	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2432
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
52.80734	0.3
55.01889	1.7
55.37040	0.3
59.01386	0.3
61.98817	0.5
69.43993	0.7
69.44372	0.7
70.90733	0.2
72.24529	0.3
79.05537	3.7
81.03452	2.0
84.53577	0.2
95.05025	0.7
98.22592	0.6
108.02168	1.2
109.02972	0.7
120.05809	1.6
121.06570	2.5
122.03743	4.1
123.04534	8.9
133.06577	1.2
135.04552	0.4
136.05281	2.2
137.06067	0.3
140.07710	0.3
149.06042	0.4
150.03232	0.5
164.04817	1.5
177.05544	2.8
191.07079	0.4
205.08617	0.4
219.10286	0.6
233.11720	0.6
247.13449	0.5
276.81772	0.3
289.21750	0.9
301.25299	2.7
303.19611	0.5
303.23032	0.5
317.21243	1.8
317.24829	1.3
343.22675	0.4
345.21039	4.6
345.24332	100.0
346.20544	0.7
346.24692	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	345.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37401	0.4
55.01878	4.3
57.03442	0.8
59.01382	1.3
61.98818	0.8
69.57656	2.0
81.03463	2.9
83.05032	2.1
95.05031	3.1
99.08143	4.3
111.08180	0.7
122.03014	0.5
122.03728	2.3
123.04505	1.2
125.09779	0.5
135.04498	1.0
136.05263	2.7
137.06116	2.1
147.06822	0.4
149.06094	3.5
163.07664	1.2
165.12877	1.9
178.55228	0.5
183.46646	0.4
191.10712	0.7
191.14400	1.0
205.15984	1.6
242.64992	0.4
245.15456	0.8
249.14972	0.6
261.18637	1.5
285.38492	0.4
301.25296	0.8
303.19638	71.0
304.20016	7.1
345.20679	9.6
345.24329	100.0
346.21008	0.8
346.24661	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	345.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01640	0.4
55.01880	5.1
57.03448	7.6
59.01366	0.8
61.98820	0.7
68.40929	0.3
69.03462	0.3
69.53133	0.8
69.53505	0.5
71.05006	0.3
76.81915	0.3
78.93956	0.3
81.03429	0.3
85.02952	0.2
95.05023	2.1
96.95962	0.3
116.77254	0.3
118.94231	0.5
122.03722	0.7
123.04553	0.3
136.05304	2.7
143.84164	0.3
149.06079	2.5
150.03217	0.4
163.07628	0.7
186.85522	0.4
191.10846	0.5
191.14456	0.3
205.12302	0.3
247.20706	1.5
249.72989	0.3
275.20071	1.5
287.20157	2.2
288.20508	0.3
295.01813	0.3
301.25162	0.6
303.19656	0.5
303.23160	0.6
317.24799	1.5
327.23264	0.5
345.24319	100.0
346.01962	1.4
346.24689	10.3
346.84952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2795
Annotation	5-(8Z-Heptadecenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
58.69888	1.9
71.09875	2.6
81.03421	3.1
120.57268	2.4
284.34555	2.4
303.27008	7.0
317.24878	4.1
333.72995	2.3
342.30914	2.9
345.24625	4.3
345.27963	100.0
346.28271	9.6
363.28467	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	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39851	0.5
59.01375	55.6
60.01714	5.1
60.92435	0.6
61.01808	1.3
61.98826	100.0
69.37690	2.0
79.63830	0.5
88.76414	0.5
96.96016	0.9
130.05977	0.5
147.87360	0.6
155.18143	0.5
157.03580	1.2
158.03679	1.3
159.03375	2.4
160.01746	0.6
201.02556	6.9
202.02699	23.7
203.02289	26.5
203.99995	47.6
204.02689	8.3
205.00175	3.3
205.02679	0.6
213.58908	0.7
255.86121	0.6
256.36316	0.9
256.86118	1.5
257.36130	0.8
296.33981	2.0
296.83884	3.7
297.33755	1.3
297.83795	0.8
346.00644	1.2
346.04230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.09828	9.8
71.01374	25.4
73.02943	33.0
101.02432	28.7
107.99183	10.7
113.02468	13.0
138.03265	19.4
142.39459	10.6
143.47508	11.4
165.01892	16.1
167.78883	10.0
174.52495	10.3
192.48412	11.9
216.49059	11.2
261.07568	11.6
263.88629	11.4
347.07858	27.5
347.16953	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	346.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88357	20.3
67.24927	25.4
69.73863	79.8
75.26409	23.1
83.81149	23.8
98.21948	48.9
105.79972	22.2
181.69093	21.6
300.24405	27.2
303.23270	100.0
346.20984	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	347.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29896	2.5
57.32354	2.5
63.25742	2.1
64.72958	2.0
65.00336	3.6
65.04006	2.3
69.67551	8.5
73.88866	2.2
74.50490	2.0
78.63235	2.2
81.03469	10.7
91.01833	2.7
93.02959	2.4
93.03453	17.2
98.22570	2.9
109.02938	31.1
124.01653	31.4
131.05029	5.5
135.00888	3.3
137.02437	100.0
139.02994	4.0
139.04018	52.0
140.04344	3.8
143.05042	4.4
144.62585	2.3
147.04495	4.3
151.00311	5.1
156.05817	3.6
159.04526	11.1
163.00336	6.9
165.01898	12.6
171.04515	12.8
172.05263	9.0
174.03171	6.9
175.03978	2.8
176.04733	3.3
178.99834	5.6
183.04466	7.3
187.03954	4.6
188.04637	3.6
190.02599	2.8
193.01375	8.9
199.04037	15.1
200.04765	31.6
203.03418	11.1
215.03648	15.3
215.07092	43.1
216.04219	10.0
216.07494	3.9
227.03464	13.7
231.06633	8.7
235.06122	4.2
241.05037	6.4
243.03008	5.1
244.03716	22.1
246.01894	2.7
259.06049	23.7
261.04001	13.4
271.02423	17.2
303.05185	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	347.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.4
62.41236	1.1
65.00317	7.5
67.01885	3.2
68.56084	1.1
68.99809	1.4
70.24962	1.0
71.01382	8.1
71.01710	1.2
72.99291	1.0
73.02927	2.2
85.02945	3.5
89.00327	1.3
89.02420	4.6
91.01881	1.6
93.03463	2.3
95.01366	2.1
97.02962	4.9
99.65208	1.1
101.02415	5.6
108.02153	2.5
109.02952	6.8
110.06118	9.6
113.02440	4.0
116.05045	2.0
118.98067	2.3
119.03460	1.6
121.02929	2.7
122.06129	10.7
123.00858	1.4
124.01667	11.0
125.02437	1.4
131.05011	2.2
133.47330	1.2
136.01669	6.0
137.02431	13.2
138.03204	3.2
139.04008	14.3
144.04570	8.0
145.03036	2.7
148.01590	1.5
150.08534	1.1
157.02946	1.9
158.03690	3.2
159.04494	9.3
160.80490	1.1
161.04625	1.6
162.05621	7.1
163.00337	7.2
163.06401	1.4
164.01111	4.6
165.01944	12.5
170.03688	3.4
171.04445	1.3
172.05173	2.0
173.02460	1.8
174.03210	4.1
175.03925	1.2
176.00977	1.4
176.04819	1.3
179.03595	2.2
179.05519	1.3
183.04498	2.3
185.02492	1.6
185.11780	1.6
186.03148	4.1
187.04001	4.1
188.04759	5.4
191.03542	1.5
198.03253	8.2
199.03981	3.1
200.04730	2.6
201.01918	1.9
202.02724	1.5
203.07179	2.6
204.04277	2.6
213.01924	4.1
213.05473	1.8
214.02684	15.5
215.03633	6.0
215.07080	2.7
216.04320	6.5
217.04930	2.4
226.02733	2.6
227.03531	2.9
229.01440	1.5
229.05026	3.1
231.06575	4.9
232.03668	1.7
241.05028	2.5
242.02168	22.2
243.02800	3.4
244.03822	1.8
247.06198	3.4
255.11339	2.2
257.04523	16.2
259.02460	1.6
259.06143	5.8
260.03195	1.5
267.11359	5.9
270.01862	1.5
275.05612	4.0
285.04037	15.1
285.12439	10.7
286.04391	1.5
303.05084	100.0
304.05313	7.0
346.24457	1.6
347.00266	2.0
347.04050	10.2
347.13425	1.8
347.17166	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	347.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45167	0.4
59.01377	7.8
67.52361	0.4
67.53470	0.5
69.12914	3.1
71.01383	3.6
77.72523	0.4
85.02937	0.9
89.02433	2.1
101.02432	2.4
109.06573	0.8
111.08150	9.1
113.02428	1.1
117.03458	5.4
119.03539	1.2
119.05019	12.1
121.06526	0.7
124.99203	0.6
136.19786	0.5
137.06093	0.5
139.07645	7.3
140.08017	0.7
145.02948	18.6
153.59299	0.4
155.07143	2.9
157.08702	4.7
157.59438	0.5
161.55424	0.5
163.04005	9.7
167.10764	9.1
183.06609	2.9
185.11784	2.1
201.07669	100.0
202.08005	5.0
205.12337	0.5
279.16983	0.5
335.58560	0.5
347.11136	1.2
347.17099	9.2
348.21747	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	347.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55523	1.0
59.01133	1.1
59.01381	10.1
60.20106	1.0
63.88328	1.4
65.00331	2.3
68.99820	2.2
70.20046	2.2
70.72260	1.0
71.01379	6.3
72.99350	1.3
73.02967	1.7
76.47821	1.2
78.01310	1.2
81.03481	1.6
82.06644	1.9
84.04520	1.5
85.02940	2.8
89.02447	5.3
95.05025	8.6
97.01650	1.5
101.02445	3.0
107.03773	3.8
110.06114	92.9
111.06425	1.9
111.73025	1.1
113.02446	2.7
115.07656	2.6
116.05067	18.9
118.06608	7.0
118.76133	1.3
119.03498	1.5
122.06119	96.8
123.06481	2.5
124.01669	2.3
125.02492	1.5
128.03534	4.0
137.02458	4.2
139.03938	2.6
144.04549	72.6
145.05003	2.6
146.06100	2.5
147.03239	2.2
157.02699	1.1
159.04459	1.9
161.04555	1.5
162.05611	56.5
163.06419	8.5
165.01967	2.6
167.47769	1.4
188.03506	5.3
195.05312	2.4
198.03369	1.6
199.04033	1.5
205.30367	1.2
214.02731	3.5
216.04161	2.1
229.05031	1.5
231.06497	1.3
242.02251	3.9
243.11285	1.8
244.06097	1.2
249.05333	1.5
255.11395	18.6
256.11682	1.7
257.04462	3.6
267.11368	58.5
268.11639	4.9
273.12469	14.2
274.12900	1.5
285.03940	3.3
285.12433	100.0
286.12796	9.1
303.01944	1.7
303.05109	17.6
303.13486	21.0
304.05362	1.5
304.13861	1.5
347.04333	2.0
347.12708	6.0
347.17200	4.0
348.21878	8.1
348.25565	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	347.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.8
60.12356	1.3
62.16246	1.5
63.46502	1.7
69.30373	7.2
71.01379	7.5
73.02915	1.8
75.60568	1.1
85.02939	2.1
89.02455	5.2
95.05019	11.4
97.01655	1.3
101.02422	5.5
107.03773	2.5
110.06112	79.6
111.06495	1.8
113.02454	3.2
115.07609	1.4
116.05046	18.2
118.06620	10.2
122.06118	97.1
123.06452	4.3
132.04546	2.1
144.04544	75.6
145.05048	2.7
146.06186	2.7
161.04559	3.1
162.05609	54.7
163.06378	11.9
188.03531	5.0
195.05476	2.5
214.02695	1.7
238.90953	1.5
242.02126	1.6
255.11426	15.6
256.11664	2.1
267.11374	49.9
267.14252	2.4
268.11694	3.4
273.12494	13.3
276.85718	1.6
285.12445	100.0
286.12811	10.8
303.05099	8.8
303.13510	22.1
347.12772	4.8
347.17087	2.9
348.21622	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	347.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.5
64.46552	1.8
69.66460	8.2
69.98772	1.8
71.01372	20.1
72.95551	2.1
72.99300	3.6
73.02938	7.5
78.91891	2.2
83.01411	2.1
83.05904	2.0
85.02937	8.4
86.02477	2.7
89.02429	7.3
95.01411	2.8
95.05003	6.5
97.06540	3.6
99.00861	3.1
101.02451	15.1
107.03785	2.4
110.06110	89.7
113.02440	8.3
113.49576	1.8
115.07642	9.1
116.05073	19.7
118.06622	8.3
121.12849	1.7
122.06120	97.1
123.06429	4.0
127.08784	2.1
128.03535	18.6
129.05525	2.8
135.06868	2.4
144.04550	78.6
145.05020	2.7
146.06062	2.9
161.04510	6.5
162.05608	56.6
163.06357	11.1
167.10765	4.6
169.33682	1.8
171.07776	7.1
185.11748	2.1
188.03485	5.4
226.25851	2.4
231.04352	2.1
249.05533	8.3
255.11330	17.0
256.11694	2.8
267.11368	55.0
268.11569	4.8
273.12390	12.0
285.12439	100.0
286.12808	9.5
303.13474	24.2
304.13901	2.4
347.12988	8.4
347.17114	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	347.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41451	0.8
59.01377	100.0
61.98843	0.8
69.75941	1.8
69.76306	1.6
71.01369	1.6
80.80698	0.8
80.95920	0.7
89.02451	1.0
101.02435	1.1
163.04851	0.8
167.10756	3.1
217.38539	0.9
347.17099	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99175	0.3
55.01861	0.3
64.35876	0.2
65.92877	0.2
66.34021	0.2
69.07146	1.6
95.01379	0.7
96.02164	2.7
98.21857	0.4
99.92577	1.9
106.71851	0.3
111.00864	0.4
122.03745	0.3
123.00878	1.7
124.01672	6.7
134.16791	0.3
150.55873	0.3
151.00369	1.1
152.01158	7.5
153.01730	0.4
162.94917	0.4
165.01949	0.6
166.02740	1.6
167.14355	0.4
191.99103	0.3
234.93407	1.8
235.94223	1.0
237.14987	5.0
248.94937	0.6
253.16730	0.3
262.14423	0.3
265.14444	100.0
266.14789	7.7
290.99649	0.5
305.00961	0.5
305.12476	0.8
319.02747	0.3
322.43741	0.3
347.13690	0.9
347.18588	0.3
347.22079	0.5
347.25879	5.8
348.06686	11.5
348.21976	0.8
348.26056	0.4
350.77905	0.3
366.78345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
57.03437	1.9
59.01379	41.5
60.86553	0.7
71.01380	27.4
71.45482	0.9
72.99305	2.4
73.02941	9.9
75.33175	0.9
83.01385	7.1
85.02947	15.1
86.00098	1.2
87.00861	1.1
89.02444	10.7
95.01392	2.3
96.55099	0.8
99.00894	4.1
101.02437	28.6
102.02793	0.9
111.00830	0.9
113.02447	10.8
119.03482	4.7
138.19208	0.8
143.03506	0.9
145.05075	0.9
159.02966	1.2
160.83667	0.9
161.04539	5.3
167.10783	7.4
176.83807	0.9
185.11823	2.8
211.13596	0.8
303.18100	3.0
347.17084	100.0
348.17429	7.7
348.21790	3.7
367.67615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1708
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01873	6.1
57.03430	3.4
59.01377	35.2
68.82167	0.8
69.28596	0.8
69.31673	2.8
69.32079	2.1
71.01376	41.3
72.99274	1.0
73.02944	15.2
75.00845	1.0
83.01378	7.6
85.02944	20.4
86.00092	2.2
87.00873	1.7
89.02430	6.8
95.01385	3.2
97.02972	1.3
99.00870	5.3
101.02438	37.4
102.02790	1.3
113.02451	17.9
119.03503	3.9
143.03456	1.7
159.03012	2.2
161.04527	9.3
165.01656	0.9
167.10732	1.9
185.11833	1.4
303.14832	1.2
303.18112	7.1
347.17056	100.0
348.17651	9.7
348.21637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.26004	1.0
59.01380	100.0
64.19011	1.1
69.82001	1.1
70.61835	1.0
71.01381	59.4
72.99286	1.7
73.02921	2.6
83.01362	1.8
85.02961	9.0
87.00861	3.6
89.02444	72.9
90.02765	1.6
95.01386	4.1
96.96018	6.8
101.02447	28.7
103.45963	0.9
113.02448	23.3
119.03500	30.6
125.02415	1.6
131.03477	3.5
143.03505	4.9
149.04544	1.5
161.04523	4.0
167.10777	11.2
179.05603	6.4
238.13988	1.3
241.98553	1.1
329.15796	1.8
347.17078	8.9
347.24301	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.09026	0.8
55.01879	6.5
57.02988	0.8
57.03450	6.8
59.01377	58.0
63.77276	0.7
69.03430	1.0
71.01381	100.0
72.01695	1.6
72.99302	1.9
73.02947	36.9
75.00870	1.5
83.01382	12.4
83.01847	0.7
85.02950	47.3
86.03264	1.1
87.00876	6.0
89.02444	22.4
93.07108	1.0
95.01386	8.5
95.05031	2.1
96.95985	0.9
97.02957	2.9
97.06598	6.0
99.00878	11.7
101.02445	70.8
109.06609	0.8
110.06108	18.2
111.08132	0.9
113.02448	43.2
115.07664	1.0
116.05049	1.3
119.03504	5.1
120.20681	0.9
122.06113	19.5
123.06489	1.2
125.02425	2.7
128.03508	3.4
129.01991	1.8
138.03267	0.8
138.05605	2.7
139.05983	0.9
143.03511	3.6
144.04553	6.1
145.05087	3.1
147.03293	0.9
149.09727	1.2
159.03008	12.1
161.04552	89.7
162.04631	1.0
162.05792	1.7
162.75453	0.8
162.78818	0.7
163.06427	2.0
171.07813	0.8
179.05620	2.6
181.29646	0.7
184.98407	0.8
235.08214	10.4
241.14581	0.8
249.05705	1.1
255.11357	4.4
259.11816	3.6
267.11386	12.8
268.11728	1.0
270.55017	0.8
273.12567	2.1
277.12936	20.7
285.12411	17.5
286.12860	1.8
301.11371	1.3
303.13638	1.7
334.28925	0.9
347.07983	1.1
347.13257	2.0
347.17084	27.4
348.17361	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01883	0.8
57.03429	1.2
58.00595	1.8
59.01377	100.0
60.01725	0.7
69.61454	2.6
71.01380	41.6
72.99318	1.5
73.02951	1.8
75.23488	0.6
80.60934	0.6
83.01394	2.1
85.02946	9.9
87.00896	1.7
89.02441	50.3
95.01372	3.4
96.96033	1.9
99.08147	0.8
101.02435	27.7
102.02838	0.6
113.02445	16.3
114.02856	0.8
115.04014	0.9
118.11652	0.5
119.02639	1.3
119.03497	22.0
120.03887	0.9
121.83592	0.5
131.03516	1.9
143.03531	2.5
149.04555	1.6
161.04590	2.8
162.01651	0.6
162.78947	0.6
167.10767	36.3
168.11136	2.0
170.73921	0.6
175.87778	0.6
179.05598	3.7
185.11852	1.2
229.05008	0.7
325.88461	0.6
347.07941	3.9
347.17099	46.8
348.17447	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03431	1.2
58.27597	1.0
59.01375	59.5
69.34659	2.2
69.35065	3.3
71.01008	2.2
71.01378	26.5
72.99299	5.0
80.81946	1.1
85.02938	3.8
89.02441	30.1
95.01399	2.5
101.02441	18.2
111.08155	2.2
113.02465	10.7
119.03503	13.8
119.05014	1.6
135.10567	1.3
139.07607	1.5
139.11264	4.2
145.02913	3.5
167.10760	90.2
168.11098	3.5
179.03398	1.2
179.05682	1.3
185.11838	19.6
186.12071	1.2
201.07666	18.2
239.88535	1.3
291.85632	1.3
311.07895	1.5
331.21460	1.5
347.17087	100.0
348.17407	7.7
348.21780	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	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
57.03446	12.5
59.01378	61.4
66.65282	0.9
69.03449	1.5
70.18185	0.9
71.01380	55.9
71.05004	1.6
71.44002	1.3
72.99306	81.4
73.02945	18.0
73.99638	1.6
75.00880	3.1
79.15533	1.0
83.01376	7.9
83.05038	3.3
85.02948	21.8
85.06588	4.0
87.00871	3.6
88.38110	0.9
89.02441	22.3
95.01398	4.5
97.02929	1.7
97.06584	1.0
98.00122	2.6
99.00862	4.7
101.02437	44.1
108.06854	1.1
111.08193	1.2
113.02455	22.5
113.09760	1.6
115.07647	6.3
119.03513	8.6
123.08149	4.1
125.02435	2.7
125.09740	1.6
127.11296	1.3
131.03491	2.8
135.24977	1.0
141.09230	4.2
143.03511	3.2
154.71870	1.0
155.10777	1.3
157.12305	2.3
159.02945	4.7
161.04564	22.4
164.07155	0.9
167.14386	8.2
169.12402	1.0
179.05597	2.7
181.16034	1.1
185.08195	18.2
185.11787	2.1
186.08435	1.1
199.09763	1.6
199.17097	1.1
209.15485	3.4
218.21654	1.1
223.16881	2.5
229.18074	8.0
233.95140	1.0
241.18085	5.3
273.17075	100.0
274.17447	6.7
285.17050	24.0
286.17386	1.9
329.15988	6.6
330.16641	1.3
347.12848	2.3
347.17078	26.6
348.17340	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	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
57.03446	12.5
59.01378	61.4
66.65282	0.9
69.03449	1.5
70.18185	0.9
71.01380	55.9
71.05004	1.6
71.44002	1.3
72.99306	81.4
73.02945	18.0
73.99638	1.6
75.00880	3.1
79.15533	1.0
83.01376	7.9
83.05038	3.3
85.02948	21.8
85.06588	4.0
87.00871	3.6
88.38110	0.9
89.02441	22.3
95.01398	4.5
97.02929	1.7
97.06584	1.0
98.00122	2.6
99.00862	4.7
101.02437	44.1
108.06854	1.1
111.08193	1.2
113.02455	22.5
113.09760	1.6
115.07647	6.3
119.03513	8.6
123.08149	4.1
125.02435	2.7
125.09740	1.6
127.11296	1.3
131.03491	2.8
135.24977	1.0
141.09230	4.2
143.03511	3.2
154.71870	1.0
155.10777	1.3
157.12305	2.3
159.02945	4.7
161.04564	22.4
164.07155	0.9
167.14386	8.2
169.12402	1.0
179.05597	2.7
181.16034	1.1
185.08195	18.2
185.11787	2.1
186.08435	1.1
199.09763	1.6
199.17097	1.1
209.15485	3.4
218.21654	1.1
223.16881	2.5
229.18074	8.0
233.95140	1.0
241.18085	5.3
273.17075	100.0
274.17447	6.7
285.17050	24.0
286.17386	1.9
329.15988	6.6
330.16641	1.3
347.12848	2.3
347.17078	26.6
348.17340	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	347.186
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
56.18139	0.4
59.55861	0.4
67.01876	0.4
68.76370	0.4
69.51038	1.9
79.95716	0.5
93.03426	0.5
95.01358	0.9
98.21900	0.6
105.85408	0.4
106.04229	1.2
109.02890	0.5
112.04575	0.4
121.02943	1.4
122.03725	5.5
122.22741	0.4
134.03743	1.1
137.02405	2.0
138.03183	0.7
144.92920	0.4
148.01642	0.9
149.02435	5.2
150.02098	0.8
150.03212	7.6
151.04089	0.6
162.03162	0.9
163.04021	1.0
164.04738	0.6
177.01973	1.8
178.02682	4.1
179.03343	0.4
182.02184	1.1
191.03464	0.7
195.17497	1.3
197.98877	0.4
206.02220	3.8
208.82483	0.4
219.21143	0.6
247.20601	4.1
263.20163	4.8
275.20187	1.7
291.19614	4.8
292.20029	0.6
301.18063	0.6
303.16287	0.8
303.19678	1.4
304.20355	0.6
305.17673	0.4
305.21036	0.8
319.19189	6.1
336.43155	0.4
347.18600	100.0
347.22208	7.8
348.18811	9.6
348.21945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1862
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
58.70961	0.4
69.41346	2.5
72.21309	0.6
95.01397	0.9
98.21841	1.1
106.04240	1.2
109.02929	2.1
110.03761	0.9
121.02946	1.2
122.03744	5.2
124.01657	3.9
134.03761	1.2
136.01694	0.7
137.02432	7.4
138.03224	3.3
149.02469	3.7
150.03232	7.3
151.03925	2.0
162.03120	0.6
163.04056	0.9
177.01895	1.9
178.02722	2.7
179.03365	0.6
182.02188	0.7
193.08733	0.6
194.61902	0.5
195.17616	0.8
205.71562	0.5
206.02238	4.0
207.10159	1.0
219.20959	0.5
247.20645	3.2
248.21051	0.6
263.20148	4.9
273.54694	0.5
275.16724	1.0
275.20120	2.3
291.19727	5.2
303.19666	1.6
304.20432	15.9
305.21210	23.3
306.21359	1.4
319.19131	4.5
320.19388	0.9
347.18512	100.0
347.22302	32.4
348.18848	9.5
348.22580	3.1
357.79489	0.6
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	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
55.01873	0.5
55.11000	0.3
61.98827	0.8
69.68927	1.3
81.03456	2.9
105.93606	0.3
108.02190	0.5
109.02990	0.4
117.53085	0.3
122.03689	0.7
123.00818	0.3
123.04487	0.5
124.01625	1.4
125.02388	0.4
130.04231	1.9
133.02946	1.1
134.03729	0.4
135.04504	0.3
137.02399	0.9
137.05072	0.6
137.06079	9.7
138.03247	0.4
138.06381	0.6
145.06581	12.8
146.03694	0.3
146.06969	0.5
147.34619	0.3
149.02364	0.5
150.03178	0.6
151.04053	0.3
157.12306	1.1
161.06087	2.3
166.71834	0.3
174.03224	5.8
175.03510	0.4
177.05510	0.3
187.03847	0.5
188.04797	1.7
189.05559	100.0
190.05902	4.7
206.02144	0.4
207.06642	1.7
247.20639	0.5
265.14407	1.8
275.20215	0.3
288.19928	0.3
304.20490	0.7
305.21152	10.2
306.21576	0.9
319.19064	1.1
347.18616	44.4
347.21667	2.0
347.25079	5.2
348.18884	4.7
355.64523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1862
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
55.01874	2.2
57.03429	0.5
61.98795	0.4
62.72071	0.4
65.39347	0.3
69.13221	0.5
69.66725	0.5
69.67129	1.0
83.50013	0.4
95.05045	1.1
96.02180	0.6
109.02937	2.3
110.03735	6.0
123.00882	3.0
123.04515	1.1
124.01625	1.6
125.02431	1.9
132.60756	0.4
136.05305	0.8
137.02451	3.5
138.03223	10.2
142.02719	1.0
148.62805	0.4
151.03995	2.4
165.01927	1.1
166.02704	7.5
166.04031	0.7
167.03314	0.5
177.09341	0.4
179.03503	5.9
179.07140	0.7
180.04294	1.7
189.05585	1.8
191.68881	0.4
193.05038	1.4
198.01770	1.7
207.06602	5.8
207.08414	0.5
221.08049	0.7
222.08994	0.5
235.09735	1.7
235.13367	5.0
249.11288	1.1
249.15002	0.7
250.12062	0.8
261.95743	0.4
263.16653	0.5
263.53204	0.5
265.14529	1.2
275.91190	0.4
301.36972	0.4
319.15417	0.6
319.19131	11.4
319.22519	0.7
320.19345	1.1
329.24841	1.4
345.24326	1.0
347.18640	100.0
347.25616	34.8
348.18869	9.5
348.25696	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	347.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	28.5
71.06670	18.5
72.15395	14.2
72.50471	15.3
125.77721	14.7
152.57997	12.4
168.13887	100.0
304.18985	23.2
332.74298	17.3
348.21487	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	347.2228
Annotation	Vitex norditerpenoid 2
Peak:m/z	Relative Intensity
61.98816	5.7
69.65540	5.8
81.03449	27.0
95.01388	3.8
101.94358	1.9
109.02968	3.3
122.03725	3.0
123.00884	2.2
123.04523	17.0
124.01640	13.1
128.60152	1.6
134.03748	2.3
137.02417	6.5
137.06070	66.1
138.03160	5.8
138.06358	5.1
146.96620	2.0
150.03198	1.8
151.03958	3.9
165.27386	1.5
219.95731	1.7
248.12506	1.5
265.14417	24.5
279.15887	4.3
304.20444	8.0
305.21136	100.0
306.21463	8.2
347.14789	2.7
347.19028	13.2
347.22137	7.4
347.25845	42.4
348.21826	4.4
348.25912	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	347.2223
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
51.58911	0.4
57.03430	1.2
59.01359	0.7
61.98811	0.6
63.00031	0.4
65.03643	0.4
65.03957	5.3
67.01894	4.2
68.99796	1.2
69.03119	0.5
69.03454	6.2
69.48151	0.8
70.02818	0.4
81.03452	0.4
83.01363	0.5
83.04996	1.3
93.03448	4.1
95.01381	8.8
95.05019	6.8
96.02174	3.9
97.02945	24.9
98.03271	0.6
99.92577	2.3
108.02153	0.6
109.02946	11.8
111.00845	0.6
111.04500	3.5
121.02952	3.5
122.03744	2.1
123.00861	5.9
124.01652	8.2
125.02452	0.5
131.09886	0.3
136.01637	0.5
137.02440	16.0
138.03159	0.7
139.04004	32.0
140.04320	0.9
151.00354	1.4
152.01141	7.3
161.02431	0.4
162.03186	0.5
162.94901	1.0
165.01872	1.2
166.02676	3.3
175.04012	0.7
180.04138	0.4
183.99998	0.6
210.31059	0.4
222.00035	0.5
223.20738	0.8
225.18509	0.9
234.93320	2.6
235.13361	0.4
235.94165	1.9
237.14934	5.1
238.15376	0.4
248.94969	1.2
249.22227	0.7
249.95590	0.7
251.97374	0.5
259.20621	2.1
261.18558	0.7
261.22235	1.6
262.96573	0.6
264.13785	0.4
265.14423	90.7
266.14767	8.0
277.21729	3.1
285.22107	0.6
288.20752	0.4
289.18192	0.6
289.21579	0.6
291.00000	0.6
301.21701	2.1
303.20001	0.6
303.23175	0.6
305.01218	0.8
305.12506	1.8
305.21091	1.1
314.81909	0.4
317.21201	0.6
319.02747	0.7
319.22736	12.1
320.23154	1.2
329.21176	7.1
329.24588	0.3
330.21521	0.9
333.04465	0.5
347.13739	2.4
347.22232	100.0
348.06674	16.6
348.13089	0.5
348.22534	12.1
348.26764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2225
Annotation	Vitex norditerpenoid 2
Peak:m/z	Relative Intensity
57.45538	0.7
61.98816	1.8
63.12735	0.8
67.58891	0.7
69.44189	3.1
70.90370	0.9
90.10171	0.9
95.01412	0.9
96.02185	1.0
97.02961	0.9
106.04253	0.8
108.02154	1.9
109.02953	9.2
110.03708	2.1
121.02943	2.7
122.03732	5.4
123.00821	1.0
123.04526	3.0
124.01655	11.1
134.03717	2.3
137.02438	28.9
137.06070	3.5
138.03226	10.7
146.02480	1.5
148.33965	0.8
149.02414	3.3
150.03200	7.3
151.03990	6.5
151.83481	0.9
152.01161	1.6
163.04008	1.2
165.05540	0.9
177.01941	1.6
178.02713	2.4
178.67728	1.0
179.03459	2.5
191.03505	1.1
193.08736	1.1
195.17584	1.4
206.02199	3.9
207.10228	3.5
212.69508	0.8
233.15424	0.9
247.20674	2.8
261.14981	1.6
263.20096	5.8
265.14587	4.9
275.16638	2.0
275.19849	1.5
287.20062	1.0
291.19601	3.8
303.16110	1.6
303.19476	1.8
304.16898	2.1
304.20401	42.2
305.21176	65.5
306.21457	5.1
319.19196	4.8
331.21536	1.8
332.84378	1.0
333.20746	1.4
347.18481	70.5
347.22238	100.0
347.64368	1.1
348.18707	4.1
348.22266	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	347.2224
Annotation	Salviviridinol
Peak:m/z	Relative Intensity
52.30987	1.1
59.01358	1.1
71.45104	1.3
74.28931	1.2
89.47012	1.0
96.02172	1.2
109.02926	2.4
110.03714	3.6
114.53172	1.3
124.01640	2.0
125.02452	1.4
137.02394	3.9
137.06073	1.9
138.03198	9.6
142.02760	1.2
146.02518	1.8
146.85760	1.2
146.96593	1.6
150.02753	1.2
151.04024	1.4
152.01155	1.2
166.02705	4.6
176.46332	1.2
179.03485	6.8
180.04250	3.3
193.05034	1.9
265.14474	4.4
319.22696	4.1
329.24875	1.3
331.21637	2.6
347.18600	8.6
347.22223	100.0
347.25562	4.9
348.22055	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	347.2224
Annotation	Vitex norditerpenoid 2
Peak:m/z	Relative Intensity
52.54822	0.4
55.01881	4.4
57.03434	1.6
59.01376	0.8
69.54768	1.9
81.03472	3.0
83.05009	1.0
95.05048	2.2
97.06590	1.6
98.22622	1.0
105.84188	0.4
109.02971	2.3
113.09738	4.6
121.06637	0.5
121.46417	0.5
122.03732	2.0
123.00894	3.7
123.04472	0.4
125.09616	0.5
136.05281	1.3
137.02448	3.5
138.03119	0.7
139.03972	0.6
165.01949	1.3
165.12843	5.7
193.15935	1.4
221.19205	0.8
236.14224	1.1
264.13583	1.4
265.14447	3.6
279.15982	12.5
280.16443	0.8
303.26990	0.6
305.21210	100.0
306.21567	9.8
347.22162	31.9
347.25919	68.2
348.22400	4.0
348.26288	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	347.2225
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
51.40614	0.7
53.69503	0.7
56.66742	0.7
62.64636	0.7
63.55363	0.9
69.83356	2.4
73.97532	0.7
83.27139	0.8
84.81975	0.9
96.02193	1.1
107.01337	0.8
109.02960	4.4
110.03736	5.1
123.04522	15.7
124.01654	3.8
137.02441	74.0
137.06102	1.6
138.03130	3.1
142.02722	1.0
151.04013	14.3
165.01886	1.5
165.09142	0.9
179.03481	14.5
179.07231	1.1
179.10815	2.4
187.39151	0.8
193.08765	0.9
207.10234	6.6
233.15479	2.9
235.09764	2.7
245.05536	0.8
247.13301	1.3
247.17087	3.4
261.14963	3.3
261.89288	0.7
275.16458	1.7
303.26968	1.1
304.20389	9.2
305.20795	0.8
332.19800	6.1
332.23566	2.3
347.22244	100.0
348.22507	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	347.2228
Annotation	Vitex norditerpenoid 2
Peak:m/z	Relative Intensity
54.58760	0.5
59.01391	0.6
69.09153	3.2
72.35417	0.5
80.02657	0.6
93.03529	0.7
95.01383	1.0
97.02966	0.9
98.22626	0.9
108.02185	1.0
109.02939	2.4
110.03770	0.7
121.02992	2.3
122.03743	1.5
123.00867	0.8
124.01666	17.7
134.03722	2.6
137.02446	4.4
138.03288	5.1
149.02429	1.0
150.03252	2.2
151.04021	1.7
165.05504	0.7
165.71646	0.4
178.02675	1.1
186.35667	0.5
191.03406	0.5
206.02328	0.6
207.10330	0.9
214.52286	0.4
247.20763	0.6
249.22304	0.6
262.15640	0.7
263.20212	1.5
276.20691	0.6
277.21735	0.6
287.20227	1.3
291.19476	1.3
303.19559	0.6
304.20477	5.2
305.21173	100.0
306.21567	9.1
309.20786	5.7
319.19150	1.3
331.12241	0.9
347.18607	20.3
347.22012	1.1
348.18912	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	347.2225
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
54.61403	0.5
61.76198	0.5
61.98824	1.1
77.78288	0.5
79.05513	1.8
81.03453	34.5
88.59692	0.6
92.70355	0.5
96.36721	0.5
122.03762	0.6
123.04522	100.0
124.04847	3.6
131.69046	0.5
298.47861	0.5
303.23230	1.0
305.21283	0.9
311.22214	2.1
347.22256	54.0
348.22342	9.9
351.63406	0.6
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	Unknow
Peak:m/z	Relative Intensity
59.01354	1.3
69.81033	1.0
71.01358	0.8
81.03437	2.0
87.94118	0.3
88.64378	0.3
93.74203	0.2
95.36024	0.3
98.21918	0.6
117.12714	0.3
122.03702	1.6
123.04503	0.5
133.06522	0.4
135.04555	1.6
145.06587	0.3
147.62949	0.3
207.66209	0.3
233.19064	1.1
259.20551	0.3
261.22217	3.8
275.20163	3.0
275.52631	0.3
285.22217	15.9
286.22583	1.5
287.20151	6.3
288.20560	0.5
301.21674	2.2
303.23270	10.1
304.23596	1.0
311.20032	0.9
329.21188	41.2
330.21539	4.6
347.22241	100.0
348.22586	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	347.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.4
57.03434	0.9
61.98816	0.5
65.20078	0.2
71.42338	0.4
81.03449	0.6
83.05017	0.4
91.70992	0.2
95.05019	2.9
99.08147	2.8
122.03733	0.4
124.01654	0.3
133.63031	0.3
136.05316	1.7
137.06067	0.6
149.06081	0.5
198.56689	0.3
207.17508	2.5
265.14429	3.6
289.14618	0.3
303.26810	0.7
305.21240	1.9
305.24435	0.4
306.21542	0.3
347.25876	100.0
348.06616	0.8
348.22089	0.9
348.26181	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	347.2589
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
59.01353	2.8
59.03476	1.1
61.98826	1.6
91.33875	1.3
100.75401	1.1
101.90250	1.1
106.04272	1.8
109.24470	1.2
122.02870	2.7
122.03735	40.9
131.19968	1.2
134.03702	1.8
135.04543	7.7
136.05338	1.5
137.06050	3.8
149.06058	3.3
154.35236	1.5
163.07677	1.6
177.09145	2.1
184.00925	1.3
191.10907	1.7
220.38731	1.2
259.20593	3.6
261.18616	5.3
277.18076	19.1
282.17902	3.1
287.20175	19.6
288.20517	1.9
319.22659	1.7
329.24799	26.3
330.25076	3.1
345.24277	3.9
347.22580	4.9
347.25885	100.0
348.26236	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	347.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
65.00320	0.5
69.52820	0.2
69.53214	0.2
71.05026	0.1
81.03455	29.4
82.03790	0.6
95.05023	1.6
98.84635	0.1
107.05030	0.5
109.02921	0.2
109.06623	0.2
122.03737	1.1
123.04511	0.4
135.04520	0.1
136.05254	0.2
137.06079	100.0
138.06416	3.6
151.04022	0.2
176.75906	0.1
265.18127	0.2
305.21271	0.1
347.25891	18.7
348.22412	0.1
348.26193	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	347.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.5
70.96130	0.4
90.10330	0.3
95.05032	1.8
98.93870	0.3
101.46578	0.3
106.06625	0.3
136.05310	2.1
143.58495	0.3
149.06081	1.2
150.06758	0.4
163.07635	0.5
191.10889	0.6
235.20547	0.4
248.48061	0.4
263.16577	1.5
275.20123	4.7
276.50833	0.4
303.23505	0.5
317.24805	1.0
319.22879	0.6
329.24835	9.3
329.28632	0.6
330.25186	1.3
345.24329	2.2
347.25888	100.0
348.26239	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	347.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01638	0.4
55.01879	5.0
58.60423	0.3
58.64355	0.3
59.01357	0.3
61.83328	0.4
67.75034	0.3
70.51845	0.6
71.73309	0.3
81.03455	0.8
85.06582	1.4
95.05031	2.2
97.06600	1.0
99.08155	0.5
122.03707	0.9
132.80669	0.3
136.05299	2.4
149.06114	1.9
150.93077	0.3
163.07672	0.4
169.39572	0.3
179.14700	0.3
235.13361	3.5
245.19246	0.4
247.42674	0.3
255.14590	0.3
261.18582	10.1
262.18948	0.6
273.22223	0.4
275.20175	0.6
277.18051	9.6
278.18243	0.5
287.20233	3.4
303.19766	0.5
305.21207	16.0
306.21585	1.7
313.45935	0.3
329.24844	22.4
330.25101	2.4
345.24243	2.4
347.22290	7.7
347.25891	100.0
348.22519	0.8
348.26236	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	347.2589
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
63.17535	0.9
69.60406	3.9
70.51510	1.0
73.73472	0.9
78.65686	0.9
79.14664	0.9
79.47210	0.9
79.95752	1.8
91.22101	1.1
95.01421	1.2
102.23651	1.0
106.04209	1.2
107.05012	1.7
109.02943	1.3
121.02978	1.2
122.03753	2.5
123.04517	2.6
135.04518	3.7
137.02464	4.6
138.03229	46.8
148.05304	7.4
149.02455	1.4
150.03162	2.3
151.04054	4.8
152.04814	5.2
160.84259	1.2
162.83858	1.5
171.69997	0.9
178.02635	1.2
181.88884	1.2
200.73311	1.0
200.95937	1.0
247.72180	1.0
259.36026	1.0
263.20010	1.1
279.23318	1.8
291.19876	1.3
303.26819	1.4
305.21268	1.4
314.22308	1.2
319.19107	1.1
319.22632	1.8
329.24814	9.8
330.25226	1.9
332.23483	3.7
346.24991	2.7
347.19058	26.9
347.22375	9.7
347.25879	100.0
348.18549	2.1
348.22293	1.9
348.26080	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2589
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01863	0.7
59.01364	0.8
61.98801	1.2
65.00303	0.7
69.66976	1.6
77.62509	0.4
81.03457	27.8
93.03429	0.4
93.07098	0.5
95.01403	0.6
95.05029	1.7
107.05077	0.6
109.02950	0.5
111.00916	0.5
111.44830	0.4
118.02986	0.6
121.02957	0.7
122.03751	5.4
133.06650	0.5
135.04440	0.4
136.05331	0.4
137.02449	1.5
137.06084	100.0
138.06403	3.4
146.02505	1.4
146.96609	0.6
149.02434	2.5
150.03207	2.9
151.03920	0.7
160.21523	0.4
177.01920	0.9
178.02730	1.0
178.05081	0.7
179.91170	0.4
182.02202	0.7
195.17706	0.5
195.50731	0.4
206.02248	1.7
224.95288	0.4
247.20764	1.7
259.17105	0.6
263.20190	1.9
265.14459	3.9
266.14819	0.4
275.20212	0.5
291.19769	1.9
307.19275	1.2
314.21362	0.6
319.19135	2.0
329.25000	0.5
331.21463	2.6
347.18781	38.3
347.25848	70.5
348.06708	0.9
348.21985	18.7
348.26376	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	347.2589
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.47689	0.3
60.08374	0.3
69.50671	0.6
69.51068	1.1
79.27087	0.3
81.03441	0.5
93.63641	0.3
106.36043	0.3
110.01747	0.2
111.83437	0.3
122.03738	87.6
123.04049	3.2
137.06081	100.0
138.06413	3.7
146.02483	0.8
154.02727	0.5
158.14902	0.3
183.70456	0.3
229.52946	0.3
245.05174	0.3
265.14420	0.6
314.21320	0.5
331.21512	1.1
347.19391	3.3
347.25888	28.7
348.21765	8.9
348.26218	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.259
Annotation	Pacificin K
Peak:m/z	Relative Intensity
55.01877	5.5
59.01373	1.4
69.03469	0.4
70.50706	0.3
70.67545	0.3
70.67888	0.3
79.95753	1.3
81.03453	0.5
89.68168	0.3
92.07697	0.3
95.05027	2.6
97.02937	0.8
101.38533	0.3
122.03740	0.9
123.04520	0.4
131.74974	0.3
135.04538	0.4
136.05316	1.7
137.02452	1.7
137.06070	0.6
138.03267	0.6
149.06105	0.4
151.04019	0.7
156.37057	0.3
179.03532	0.3
214.35973	0.3
219.88255	0.3
249.22188	2.9
261.25827	3.3
262.26282	0.4
303.23499	0.4
305.24832	100.0
306.25156	9.2
306.27924	0.2
314.21295	0.5
319.26337	0.5
329.24850	0.4
331.21475	0.4
332.23611	0.7
347.22467	2.9
347.25879	53.5
348.21762	4.6
348.26257	6.4
351.21021	0.3
364.97308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2592
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.23819	7.1
69.21545	40.0
79.95735	60.3
94.30580	6.2
122.03747	26.5
137.95538	6.9
146.99934	7.1
148.25194	8.5
193.54216	7.2
263.86551	6.8
267.99365	7.1
304.38547	7.7
319.26328	37.5
347.26041	100.0
348.22037	14.1
348.26407	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.1
61.98830	37.9
70.29681	4.4
71.01376	5.2
72.76633	2.6
85.35133	2.7
103.92043	4.2
108.02174	50.2
109.02924	10.3
126.05595	8.1
134.26477	3.1
152.01151	51.2
152.59792	2.5
153.01921	24.3
161.04558	2.7
176.90540	2.7
185.19839	2.6
260.96307	3.6
285.02969	6.0
285.06143	100.0
286.06497	5.3
313.00089	4.3
347.97137	7.0
348.97809	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	348.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65070	0.6
59.01384	1.8
61.98828	100.0
70.94754	0.5
71.01381	0.9
79.18993	0.5
85.02971	0.8
85.64786	0.5
99.04543	1.0
102.63486	0.6
113.02472	0.7
116.60649	0.6
129.75676	0.5
133.41812	0.5
151.84450	0.6
283.51608	0.6
326.71384	0.7
348.21982	3.5
349.11319	1.2
349.15216	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	348.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.30957	4.5
69.21627	23.6
71.01376	32.3
73.02921	6.6
75.68179	3.7
76.80412	3.8
83.01379	5.2
85.02943	13.5
87.00859	5.1
89.02434	26.1
98.22697	6.8
101.02448	28.5
113.02438	10.7
119.03474	12.7
122.83415	3.8
137.92026	3.9
151.19647	3.7
161.04480	10.7
169.12341	6.5
187.13281	5.2
237.87135	4.8
263.15036	5.9
348.17477	4.9
349.18784	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96538	0.5
52.02112	0.5
61.98803	0.9
65.00317	0.8
75.26762	0.5
79.05533	0.9
79.53699	0.6
81.03452	40.8
83.01359	0.9
93.03446	2.1
109.02959	1.4
123.04527	100.0
138.03235	0.7
149.02356	0.5
168.96292	0.5
235.13333	1.0
264.16083	0.9
266.17670	2.6
287.20193	1.1
290.17725	0.6
293.51450	0.4
305.21210	5.5
306.21896	0.5
320.22992	3.9
331.21643	0.8
334.06104	0.6
348.21878	11.4
349.24045	14.5
350.96298	0.6
358.83884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41463	0.5
61.98828	100.0
69.54088	2.6
77.71191	0.6
79.01872	0.5
81.81300	0.6
111.00896	0.6
113.02441	0.6
113.09777	0.6
139.00354	0.6
141.01942	8.4
165.12900	0.9
179.03568	0.6
305.21210	13.7
306.21591	1.1
339.54456	0.5
349.20181	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	348.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	4.5
61.98831	2.9
69.75471	4.2
69.75863	4.8
81.03444	2.3
83.05059	1.8
88.34139	2.1
98.21924	4.1
103.34776	1.8
109.02927	3.6
114.08261	2.0
118.02998	2.7
122.03743	2.8
123.04505	5.0
124.01611	5.1
132.04541	2.5
136.04041	3.0
137.02428	8.4
138.03265	2.1
144.55374	2.0
146.02460	8.6
150.03175	2.1
151.03760	3.1
160.04012	2.6
163.67238	1.9
178.02689	2.0
178.05045	4.1
178.24005	2.2
197.22757	2.2
264.20724	2.5
266.14645	4.0
277.25336	6.7
292.20081	3.0
305.21286	4.6
305.24792	30.3
306.22028	21.5
307.19263	3.3
307.22647	19.3
314.21112	5.3
320.19330	2.4
331.21466	9.1
348.18695	39.4
348.21899	100.0
348.26291	6.8
349.19116	6.4
349.22705	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	349.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01982	7.5
57.03474	7.4
59.01376	100.0
64.51675	8.2
71.01381	28.8
71.44676	7.2
73.02940	13.1
74.42644	6.8
75.00868	11.8
82.99906	6.6
85.02971	14.4
89.02446	22.5
101.02434	26.9
113.02451	22.3
119.03454	7.3
125.02451	14.5
137.02435	9.8
139.04048	8.5
151.04034	16.2
158.73045	8.1
161.04561	8.8
168.03186	8.1
183.00597	8.2
187.13391	29.5
191.03473	12.6
239.21162	7.7
291.99716	8.7
348.22189	9.8
349.18564	84.8
349.22263	14.1
350.19049	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	349.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.5
57.03444	12.9
59.01379	90.5
69.03426	5.9
71.01378	94.9
72.01714	5.2
72.99305	13.2
73.02946	32.3
73.04053	7.2
78.91883	14.3
80.19100	5.3
83.01386	18.6
85.02950	69.1
87.00869	26.7
89.02423	35.5
93.03479	6.4
95.01355	8.9
99.00864	10.6
101.02441	66.0
103.02834	5.3
108.02133	9.2
109.02881	6.5
110.03711	6.3
111.00879	8.0
112.04015	8.7
113.02454	50.9
119.03510	15.8
123.04511	8.7
125.02399	7.5
125.06114	7.2
129.01959	5.7
143.03490	13.1
151.04005	100.0
151.05167	4.6
161.04530	41.6
162.04822	11.0
163.05035	5.9
164.07213	7.9
166.01506	7.4
201.02135	5.1
235.11932	9.0
243.11307	6.4
275.11563	9.5
287.10403	12.3
303.09814	10.2
331.09296	9.5
332.86285	5.0
336.40326	5.0
349.06140	8.6
349.10269	13.4
349.14761	24.1
349.18460	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	349.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.6
64.97568	1.6
69.58003	7.3
71.01374	18.1
73.02965	2.3
89.01192	1.6
89.02446	27.8
98.21899	2.1
101.02426	14.3
113.02456	6.0
119.03474	8.2
131.03491	2.8
149.04527	7.3
151.06126	11.7
161.04631	2.9
179.05586	9.2
191.05603	2.0
219.13348	2.0
313.11386	100.0
314.11731	5.1
349.09106	45.0
350.09601	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	349.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.77206	0.1
69.14563	1.0
71.01387	0.2
79.95734	1.2
85.02949	0.2
96.96009	100.0
97.95934	0.3
113.02437	0.2
131.28142	0.1
169.64857	0.2
183.08305	0.2
187.11269	0.3
228.76805	0.2
269.13870	0.9
329.14142	0.2
349.09601	15.4
350.09836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58246	0.9
56.90112	0.9
66.36779	0.9
67.48481	0.8
71.09115	0.8
72.00911	4.4
74.02488	1.1
80.40459	0.8
93.03435	3.6
100.00409	23.1
116.05061	11.1
116.30435	0.8
117.03463	9.0
119.05024	100.0
120.05380	4.0
128.05035	2.3
130.06610	9.6
136.16472	0.8
142.05544	1.6
142.06619	23.3
143.06953	2.1
145.02946	51.0
146.03255	1.9
146.06107	6.5
147.04549	4.7
154.06694	0.8
157.07698	17.5
159.09276	12.4
162.05589	3.9
174.05582	3.2
176.07077	5.0
181.07692	6.9
185.07152	2.6
186.05579	13.9
199.08719	2.8
203.08325	5.1
211.08629	0.9
220.06145	2.3
229.06168	63.6
230.06503	2.9
249.63890	1.0
277.13434	1.1
287.11752	0.9
305.12939	11.6
316.83344	0.9
340.87396	1.0
349.11951	16.6
349.21661	1.3
350.12357	1.0
364.64417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
69.52513	2.1
72.00909	7.8
74.02471	2.9
78.33208	0.6
93.03442	1.5
96.95966	0.5
100.00405	29.0
101.00732	0.6
101.02463	0.7
114.80477	0.5
116.05071	9.0
117.03468	13.7
119.05023	100.0
120.05360	3.1
128.05011	0.7
129.01033	0.5
130.06609	4.2
131.06900	0.5
134.37886	0.5
142.06619	32.5
143.06926	1.4
145.02951	60.9
146.03282	3.1
146.06088	1.2
147.04501	1.6
157.07681	2.8
159.09227	3.4
162.05583	0.5
176.07214	1.3
181.07831	0.7
181.72092	0.5
185.07233	2.6
186.05598	16.4
187.05824	0.6
203.08260	8.8
204.08583	0.6
220.06210	1.0
229.06172	56.5
230.06474	3.2
290.50555	0.5
305.12964	3.6
349.11926	8.6
350.12225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1655
Annotation	Eurycomalide A
Peak:m/z	Relative Intensity
59.19208	1.3
93.03464	1.7
95.01421	1.6
98.21761	3.2
108.02189	3.6
109.02953	3.5
110.00108	2.0
112.46119	1.1
114.83887	1.3
119.37995	1.5
121.02959	4.4
123.00840	7.5
124.01659	7.7
135.04529	3.6
137.02455	17.5
138.03348	1.8
146.03709	1.6
146.48360	1.4
149.02438	13.1
150.03258	2.4
151.03967	2.5
154.20294	1.3
159.04527	2.2
163.00336	1.5
163.04010	38.7
164.04350	2.3
165.01872	2.0
174.03244	2.9
176.04782	1.5
177.01926	35.3
177.05602	5.8
187.04005	2.6
191.07121	1.3
201.05577	4.8
211.13402	17.3
271.13367	5.0
272.14035	1.7
278.18668	1.5
287.12863	3.8
288.13538	2.6
289.14365	1.7
291.12411	1.9
299.12933	5.2
305.14008	8.5
306.14716	34.9
307.14987	4.1
316.13217	8.8
317.13977	10.6
318.14258	1.6
331.15430	5.8
334.14178	16.7
335.14600	2.5
349.16544	100.0
350.16943	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	349.1865
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01881	2.7
57.03444	2.3
58.00590	1.8
59.01376	100.0
69.61662	1.2
69.61987	1.0
71.01378	66.6
72.01730	0.8
72.99306	1.5
73.02944	15.6
74.60819	0.6
75.00852	0.9
83.01402	5.0
84.73705	0.7
85.02945	20.2
87.00874	3.1
89.02441	58.1
95.01396	4.6
97.02950	0.9
98.22552	1.2
99.00873	4.9
101.02441	54.8
102.02782	1.1
113.02446	28.5
113.03245	1.5
114.02845	1.0
119.03503	24.7
125.02435	1.2
131.03514	2.8
141.09238	0.8
143.03476	5.2
149.04539	2.1
159.02960	3.8
161.04550	25.1
161.21974	0.6
179.05614	9.1
181.07634	0.8
187.13412	8.8
204.18547	0.7
349.18646	34.0
350.19006	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	349.1865
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.15104	2.2
51.74744	2.3
59.01378	45.8
69.08272	18.5
71.01379	15.4
80.33575	2.6
85.02965	4.1
89.02443	18.2
98.22598	7.0
101.02427	13.3
113.02448	6.6
118.70039	2.6
119.03448	3.0
141.12845	26.1
155.14424	3.1
169.12294	7.5
187.13387	57.1
300.38068	3.0
337.71176	3.0
349.18622	100.0
349.21951	4.2
350.18970	6.5
357.97940	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	349.1867
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
52.14514	0.7
55.01870	1.7
56.04856	0.9
56.62571	0.7
57.03440	2.6
58.00594	0.9
59.01376	100.0
60.01706	0.8
69.62304	2.2
69.62659	0.9
71.01380	60.7
72.01711	0.9
72.99319	1.7
73.02940	7.4
75.00871	0.9
83.01389	4.3
85.02951	17.2
87.00873	6.3
89.02444	44.0
95.01384	3.9
96.96007	6.6
99.00855	4.3
101.02443	45.5
113.02447	22.2
119.03493	17.4
131.03487	1.6
137.01385	0.8
140.40567	0.8
141.09219	2.7
141.12845	1.2
143.03453	2.1
143.10760	3.8
149.04596	1.1
159.02992	1.8
161.04536	13.2
169.12335	11.1
179.05659	2.2
187.13422	4.1
203.47612	0.7
259.15506	1.0
263.14969	0.9
349.18652	85.6
350.19107	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03435	3.8
58.00592	1.7
59.01377	100.0
60.01703	1.4
69.03468	1.3
69.78642	2.9
71.01379	68.5
71.05015	0.9
72.01716	0.8
72.99304	3.2
73.02948	8.3
73.04050	1.1
83.01395	5.9
85.02948	19.9
87.00880	3.4
87.04508	2.0
89.02441	60.6
95.01364	6.1
96.96007	5.0
97.02942	1.0
98.07794	0.9
99.00871	4.8
101.02437	43.2
102.02805	1.8
108.59256	0.8
109.02894	1.1
113.02453	30.4
114.02773	1.9
117.91959	1.0
119.03498	24.6
125.02436	5.3
131.03493	3.2
137.02483	1.2
143.03497	6.0
149.04514	2.4
151.00369	1.1
153.01945	1.3
159.02986	2.3
161.04550	17.1
169.01434	3.0
172.72754	1.0
176.74997	0.9
176.88329	0.9
179.05643	9.0
185.11813	1.0
187.09773	2.5
187.13397	8.7
193.05005	1.1
197.04530	1.7
202.67436	0.8
210.99069	1.0
245.04552	1.2
255.12393	1.2
261.52643	1.0
287.10349	1.1
305.19775	1.1
331.04596	1.4
349.02081	1.3
349.05957	2.0
349.14978	3.4
349.18646	57.8
349.22098	2.4
350.18930	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	349.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89338	9.9
59.01367	20.7
70.44108	21.3
71.01350	12.2
72.83222	9.3
108.02145	11.3
113.95566	9.3
139.11241	10.3
171.10249	26.8
283.82056	13.5
311.22205	100.0
349.16769	11.1
349.20309	94.5
350.20538	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2018
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
68.99814	1.1
92.22097	0.6
95.01372	5.5
96.02216	1.2
109.02934	1.9
110.00089	1.3
111.00916	1.0
123.00881	40.1
124.01722	3.8
137.02434	11.7
137.06024	0.7
138.02951	0.5
151.00383	3.3
151.03943	0.8
152.01213	0.8
165.01920	20.0
165.05417	0.8
179.03474	0.7
179.07129	2.1
193.08647	1.4
195.17624	2.8
197.20084	0.8
202.11192	0.5
207.10236	3.7
235.09850	1.2
249.11304	0.6
251.13019	0.7
251.16467	1.3
263.12936	1.4
263.16452	0.8
267.16049	0.7
277.14523	1.0
289.18045	2.1
295.15491	1.0
305.17456	1.1
306.18274	1.4
321.20776	1.3
333.17447	0.7
334.17755	7.2
335.18155	0.8
349.20166	100.0
350.20544	10.3
350.24487	1.1
350.36850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
70.69277	0.4
101.67117	0.4
109.02931	1.8
110.03740	6.6
123.00864	1.2
124.01632	0.5
125.02438	1.6
126.46418	0.3
137.02420	1.9
138.03226	8.9
138.04291	0.5
139.76147	0.3
141.01903	0.8
142.02713	0.5
151.04007	1.2
165.01901	0.7
166.02707	7.3
167.03409	0.4
179.03488	6.7
180.04224	1.3
190.53938	0.3
193.05066	1.5
198.01691	0.8
221.08192	0.7
222.09003	0.7
237.14154	0.4
249.11310	0.7
250.12100	0.4
261.44083	0.3
303.16110	2.0
303.19153	0.4
317.39664	0.3
321.20660	6.0
331.19223	0.8
349.20166	100.0
350.20532	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	349.2019
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
59.01371	0.6
62.04652	0.5
65.33437	0.4
65.57735	0.4
68.99808	0.9
69.38355	0.6
69.38635	1.9
79.53522	0.4
95.01385	5.8
96.02192	0.9
98.00078	0.4
109.02956	1.8
110.00098	1.8
111.00909	0.6
123.00880	43.1
123.04464	0.6
124.01770	3.0
125.02530	0.4
137.02438	14.0
138.02811	0.6
151.00381	2.8
151.03983	1.1
152.01166	1.4
165.01921	20.6
165.05656	0.5
165.09254	0.5
166.02345	1.2
179.03467	0.8
179.07072	1.9
181.01384	0.5
181.08734	0.6
187.10303	0.4
193.08701	4.0
207.10237	1.5
221.08136	1.9
247.13329	2.3
261.14951	1.2
277.14365	0.9
289.18124	1.1
305.17731	0.9
306.18271	1.4
317.17538	0.6
321.20667	1.1
333.17087	0.7
334.17825	6.7
335.18307	0.5
349.20166	100.0
350.20499	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	349.2018
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
52.31235	0.3
55.01869	1.0
59.01363	0.5
70.10591	1.0
95.01311	0.3
109.02931	2.6
109.59071	0.4
110.03735	7.5
113.09682	0.5
123.00869	2.8
124.01656	1.1
125.02412	1.8
128.99623	0.3
137.02455	1.9
138.02209	0.6
138.03232	10.1
139.11290	0.8
142.02721	0.7
146.29686	0.4
151.04007	0.7
166.02682	5.8
167.03197	0.4
179.03482	2.7
180.04268	1.8
181.04710	0.4
235.09741	0.4
265.14410	1.7
290.51935	0.4
293.14398	0.4
321.20694	9.7
322.21310	1.0
327.06552	0.5
349.20163	100.0
350.20477	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	349.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
68.99809	0.9
70.75144	0.5
77.34665	0.5
81.37899	0.4
95.01381	5.1
96.02179	1.2
98.00095	1.2
109.02925	3.1
110.00066	1.0
111.00869	0.7
123.00886	40.2
124.01736	4.7
137.02440	12.0
138.02963	0.4
139.00380	0.8
141.01900	3.4
151.00346	3.3
151.04025	0.4
151.07663	0.5
152.01132	1.6
165.01926	19.8
165.05586	1.2
165.09206	1.0
166.02415	0.8
179.07137	2.0
179.10806	0.5
193.08694	6.1
207.06613	0.7
207.10236	3.5
221.08238	1.8
235.09753	0.8
263.12863	1.6
265.14413	1.3
291.09039	1.0
293.38724	0.5
306.18271	2.0
307.19186	3.5
321.20706	1.8
333.17245	0.5
334.17825	6.2
335.18469	0.5
347.25394	0.5
349.20175	100.0
349.27350	8.8
350.20496	9.7
350.27646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2017
Annotation	Enmelol
Peak:m/z	Relative Intensity
53.40393	1.5
55.01883	1.8
59.01364	1.7
68.45110	1.5
69.16140	8.3
70.07506	1.5
78.01073	2.3
79.01880	2.3
85.02939	2.0
99.03027	1.4
100.34702	1.4
101.19093	1.6
111.00871	5.6
113.02450	1.8
122.19191	1.6
124.98766	3.5
138.03134	1.6
139.00345	9.7
139.03528	1.8
141.01944	34.0
152.71928	1.5
217.94800	1.5
265.14621	2.5
265.21707	3.2
270.87604	1.5
277.21643	5.5
277.25287	5.2
303.19672	3.3
305.21286	2.8
305.24747	25.6
307.19138	29.5
321.20688	16.8
322.20941	2.2
331.19000	5.4
349.20071	100.0
349.23477	8.4
350.20172	9.4
350.24164	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	349.2016
Annotation	[1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-6-(Acetyloxy)-4-ethoxy-1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
52.10548	3.7
70.37392	8.3
139.00383	10.1
140.83983	3.7
159.20586	4.4
162.83980	4.5
245.19058	6.0
277.21808	7.7
307.19138	52.4
321.20755	10.6
349.20169	100.0
350.20407	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	349.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03436	2.0
57.41812	0.5
59.01353	0.8
61.33982	0.4
62.00833	0.5
62.87980	0.4
65.00310	0.5
65.33682	0.4
69.03444	1.4
70.66720	0.5
70.67056	0.7
78.01130	1.0
79.01892	2.5
81.03443	3.2
83.01408	0.6
83.05025	0.6
85.02940	1.4
97.02908	0.8
97.06605	0.6
111.00849	3.4
113.02439	1.4
113.09760	0.5
122.03710	0.5
124.98805	1.7
125.02435	3.0
125.09715	1.0
125.99590	1.7
137.02432	0.7
138.03229	1.2
139.00377	9.8
140.01173	2.3
141.01941	41.8
142.02277	1.2
167.03519	0.6
183.97890	0.5
221.19128	0.9
245.19180	2.7
249.22122	0.7
251.20146	0.8
263.20264	0.9
265.14725	2.0
265.21667	1.4
270.48633	0.5
277.18155	1.7
277.21735	2.4
279.19629	0.8
289.17642	0.5
303.19684	1.3
305.21173	4.5
306.21613	0.6
307.19135	29.9
308.19461	2.5
321.16965	0.6
321.20679	10.1
322.21136	0.6
331.19092	0.9
349.20178	100.0
350.20496	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	349.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
56.89425	0.5
57.03411	0.5
59.01367	0.7
61.98818	0.7
68.57175	0.4
68.99831	0.4
69.03439	1.2
70.36290	0.4
71.01389	0.7
71.12072	0.5
76.59584	0.4
78.01094	2.1
83.05034	0.6
84.02139	0.8
95.01390	0.6
96.02162	2.6
96.99332	0.9
99.92595	1.3
111.00872	3.5
113.45433	0.4
113.82912	0.5
121.90383	0.5
123.00860	1.5
124.01653	5.6
124.98816	3.0
125.99598	3.4
136.01660	0.9
139.00375	12.1
141.01933	0.5
150.03197	1.0
151.00305	0.5
152.01160	6.6
153.01900	0.7
165.01929	0.5
166.02715	1.4
184.00078	0.7
221.19075	2.0
223.20647	0.5
235.93710	1.2
236.94223	0.7
237.14960	4.9
237.22116	0.5
245.19073	4.5
249.22185	0.6
251.20270	1.2
263.20148	1.2
265.14432	83.9
265.21820	2.3
266.14694	0.6
267.15063	1.6
277.18140	3.2
277.21677	4.0
279.19550	1.4
289.18130	0.6
293.21332	0.8
303.19553	1.8
305.21225	0.8
306.18234	0.7
307.19125	48.4
308.19504	4.7
321.16910	1.0
321.20663	17.4
322.20966	1.8
331.19122	0.8
349.07010	9.0
349.20169	100.0
350.07178	1.0
350.12128	1.6
350.20541	10.0
363.04425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2019
Annotation	Enmelol
Peak:m/z	Relative Intensity
55.01869	3.9
59.01374	2.4
69.03445	1.3
70.33112	1.1
74.20184	0.6
74.94479	0.6
77.31983	0.6
78.01086	3.2
81.03453	1.6
83.05037	1.0
85.02952	1.3
87.00869	0.7
103.85558	0.5
105.03487	0.6
111.00898	2.1
122.03730	2.4
123.04519	7.3
124.98799	2.9
125.02473	1.2
125.99570	3.5
136.01678	0.9
137.02472	0.9
139.00375	11.1
140.01193	0.8
150.03282	0.9
153.01958	1.0
165.05513	2.9
167.03506	0.9
174.09288	0.9
181.05023	0.7
219.17686	0.7
221.19153	2.4
223.20624	1.4
237.22295	1.2
245.19077	4.6
251.20161	1.2
263.20139	0.6
265.21698	1.7
277.18076	2.5
277.21741	5.9
279.19659	2.3
285.34354	0.6
289.18045	0.8
293.20779	0.7
299.45917	0.6
303.19659	2.0
305.17828	0.8
305.21115	2.1
305.24640	1.5
307.19135	54.2
308.19531	5.7
316.18933	0.6
321.20688	15.4
322.21085	0.9
331.19266	0.9
349.20166	100.0
349.23788	7.3
350.20621	9.5
350.24203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2382
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
54.30481	0.7
55.01866	0.8
58.94147	0.5
67.87321	0.6
69.03438	0.7
69.48265	2.2
73.02946	0.6
78.01103	1.0
79.01854	0.8
81.03442	1.5
92.48040	0.5
110.03707	0.6
111.00877	1.8
122.03748	0.8
124.98815	1.2
135.51335	0.6
137.02325	0.6
138.03194	0.9
139.00369	3.6
141.01942	16.1
142.02261	0.9
147.04625	0.7
160.31842	0.6
166.02733	0.9
220.65453	0.6
221.19066	0.6
245.19005	1.1
251.19980	0.6
263.23792	4.5
265.14584	1.3
268.13272	0.6
277.18182	0.5
277.21619	0.8
277.49094	0.7
279.23331	0.6
287.23819	20.0
288.24194	1.9
289.21664	2.5
293.20966	0.5
303.19702	0.7
305.21375	0.9
305.24817	6.6
307.19119	10.8
308.19516	0.7
313.21744	1.0
314.03400	0.6
321.20752	3.8
331.22757	49.5
332.23138	4.4
343.16245	0.6
349.20068	36.5
349.23831	100.0
350.20377	4.3
350.24176	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	349.2382
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
59.01389	1.3
69.48023	1.0
69.48417	1.3
75.50408	0.6
81.03455	10.5
81.14618	0.5
86.07086	0.6
95.01404	1.1
95.05007	0.8
96.02163	3.1
106.30761	0.6
108.02182	1.0
109.02953	47.3
110.03799	1.2
111.00915	1.2
122.03813	0.7
123.00890	6.3
123.04601	1.3
124.01689	2.6
125.02478	1.2
137.02452	19.5
137.03473	1.1
137.06076	36.1
138.03256	5.4
138.06445	1.1
146.02521	0.8
147.02855	0.9
151.04044	7.1
154.02817	0.9
165.05661	1.1
165.09254	0.7
167.03580	1.3
176.39134	0.6
179.10748	3.3
181.97710	0.5
193.08832	0.7
194.90529	0.6
207.10326	2.1
233.15608	1.6
257.40567	0.6
261.15060	1.0
265.14655	1.8
275.16977	1.0
275.20035	4.8
277.25430	1.4
289.21890	1.5
303.19675	8.0
304.20425	15.2
304.23639	0.9
305.21027	2.4
305.25006	3.0
307.22775	3.2
315.21741	1.2
319.22766	42.4
320.23096	4.1
332.22037	2.0
349.23926	100.0
350.20706	0.9
350.24240	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	349.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13686	2.3
67.16006	2.4
70.70087	4.1
75.52205	2.6
82.21727	2.2
96.02164	3.3
96.95972	2.5
122.13458	2.5
124.01680	6.4
152.01135	7.2
165.01910	3.7
252.87708	3.1
321.24384	5.4
349.23856	100.0
350.24307	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	349.2382
Annotation	(10)-Gingerol
Peak:m/z	Relative Intensity
65.00333	0.4
65.03947	0.3
67.01886	0.5
69.84724	0.9
79.05541	0.3
81.03455	39.5
82.03803	0.8
83.01372	0.6
87.68596	0.3
93.03464	1.9
95.01404	0.5
99.61064	0.3
106.37889	0.3
109.02977	1.4
109.16895	0.2
116.60970	0.3
123.04523	100.0
123.89667	0.3
124.04852	3.0
125.02459	0.3
131.97986	0.3
137.02438	0.3
138.03169	0.5
151.13602	0.3
253.42752	0.3
331.22839	0.3
349.23880	13.2
350.24255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2382
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
57.03428	2.6
59.01364	3.6
63.63295	0.8
67.19233	0.8
69.03442	3.5
69.46064	4.3
70.93673	0.9
70.99870	0.9
71.05023	5.3
83.05042	5.6
85.02952	2.0
90.09199	1.0
93.17999	0.8
98.03698	1.2
98.22507	2.1
111.00883	2.8
115.70747	1.0
122.03624	1.2
124.05288	1.8
261.22198	1.2
268.16498	1.0
277.25345	41.2
278.25613	3.2
287.24005	1.7
305.24844	100.0
306.22028	1.6
306.25162	8.9
315.81247	1.4
349.20065	2.5
349.23898	9.6
350.23865	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	349.2382
Annotation	Annosquamosin D
Peak:m/z	Relative Intensity
53.68144	1.4
56.89272	1.5
61.98844	2.0
70.57720	1.4
77.24471	1.2
81.03479	1.5
92.18449	1.4
109.02953	11.9
110.03746	4.2
124.01659	18.5
125.02527	2.0
134.03778	3.6
137.02446	32.0
138.03230	16.6
151.04099	3.2
152.01158	2.3
166.02718	1.6
189.29300	1.3
193.08832	1.7
261.22299	1.5
265.14590	4.4
289.21811	1.5
305.21417	2.6
306.21988	50.9
306.25433	2.8
307.22748	65.4
308.23260	5.1
324.55475	1.5
349.23895	100.0
350.24054	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	349.2382
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
59.01374	0.6
72.39386	0.3
86.72532	0.3
92.20262	0.3
95.01383	1.9
96.02168	5.6
110.03731	0.7
111.00894	0.9
115.84900	0.4
121.67033	0.3
123.00874	3.5
124.01662	11.7
125.02356	0.3
128.01183	0.4
136.05386	0.3
137.02467	0.4
138.03226	1.4
147.90973	0.4
151.00369	0.4
152.01146	9.7
152.02365	0.7
153.01773	0.6
165.01913	1.7
166.02713	2.6
179.03445	0.5
184.00145	0.8
251.23851	0.4
321.20743	0.4
321.24353	6.7
322.24789	0.5
349.23819	100.0
350.24167	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	349.238
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
61.33032	14.8
71.45716	17.5
137.02419	51.7
140.51332	15.5
349.23737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2381
Annotation	5-cis Carbaprostacyclin
Peak:m/z	Relative Intensity
50.00620	0.7
52.11770	0.6
59.01374	1.3
61.98838	1.0
69.93690	1.9
81.03454	2.2
85.06574	1.0
85.20911	0.8
122.03714	1.6
123.04513	1.2
135.68053	0.8
169.17389	0.8
193.15996	2.3
221.15367	1.3
234.36465	0.8
235.16991	2.0
263.16498	25.9
263.23691	1.0
264.16855	2.0
265.14349	1.6
292.16852	1.0
304.93243	0.8
319.22751	3.4
331.22849	2.3
347.22348	6.0
348.22348	1.2
349.23816	100.0
350.24197	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.1
69.57142	7.1
78.95982	1.8
90.60741	1.7
93.85842	1.6
95.05092	1.8
96.02165	2.2
98.21926	3.9
100.58847	1.7
110.96134	1.5
113.69321	1.7
122.03765	4.7
123.04558	3.9
124.04848	2.5
136.05305	6.8
137.02454	3.2
137.05620	1.7
138.03223	3.9
139.04050	2.3
146.02446	5.3
147.02803	4.7
147.04449	1.9
149.06036	1.9
150.06499	3.6
151.03967	3.2
190.72612	1.7
200.41342	2.0
247.20721	3.3
249.22220	2.3
260.17538	2.1
261.22363	2.9
265.14508	2.3
277.21793	2.2
277.25296	2.0
289.21698	34.4
290.22021	4.3
293.17590	3.8
302.22437	3.1
303.22910	21.4
305.21252	35.8
305.24759	6.4
306.21579	4.7
315.21625	3.9
319.22275	1.9
332.22006	12.5
349.22180	100.0
350.22476	3.6
363.37808	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	349.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
56.57768	0.1
58.39383	0.1
61.98822	0.1
65.00318	0.5
69.22113	0.8
81.03454	25.1
82.03780	0.5
86.49009	0.2
95.05018	1.3
107.05022	0.5
109.02958	0.3
115.62185	0.1
122.03715	0.9
123.00822	0.1
123.04536	0.4
135.04492	0.2
136.05264	0.3
137.06079	100.0
138.03230	0.2
138.06419	3.8
151.03961	0.3
168.80316	0.1
200.17160	0.1
265.14319	0.3
289.21616	0.3
303.22894	0.3
305.21347	0.2
305.24854	0.4
315.21298	0.2
321.20636	0.2
321.24158	0.3
332.21732	0.5
349.22284	2.4
349.27417	21.3
350.23352	0.2
350.27771	2.2
358.24335	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	349.2748
Annotation	13E-Labdene-8alpha,15-diol 15-acetate
Peak:m/z	Relative Intensity
53.04247	0.5
55.01873	4.5
58.06815	0.4
59.01382	1.5
61.98832	1.0
69.61992	1.9
84.23653	0.5
95.01346	0.9
95.05042	2.2
96.02171	1.3
109.02953	2.7
110.03754	2.7
111.08167	0.6
113.09721	2.5
113.49094	0.6
116.92879	0.6
122.03756	0.7
123.00906	2.2
124.01633	3.2
125.02468	1.3
127.11297	1.0
128.05540	0.5
135.81152	0.5
136.05287	1.4
137.02457	1.9
138.03220	7.6
139.04037	1.7
141.01852	0.7
151.00374	0.8
152.01176	3.5
153.12846	0.5
165.01962	0.6
166.02711	4.7
167.03516	1.9
179.03484	1.1
180.04327	1.5
196.21915	0.5
237.14960	3.0
265.14432	47.1
267.15216	0.5
305.17795	0.7
307.19257	0.5
312.74585	0.5
321.20682	5.6
347.25882	5.5
349.06863	3.0
349.16394	1.7
349.20270	68.1
349.27380	100.0
350.11932	1.6
350.20596	7.1
350.27722	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	350.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13611	0.4
59.01377	9.9
61.98828	100.0
65.07935	0.4
69.74041	0.4
70.15643	0.3
71.01382	4.4
73.02955	1.3
73.73544	0.4
83.01422	0.4
84.02157	0.5
85.02943	2.1
87.00895	0.7
89.02438	4.1
95.01404	1.0
99.00927	0.5
99.04544	0.5
101.02450	4.1
109.02930	2.4
113.02481	2.9
113.99577	0.4
117.37997	0.4
118.16552	0.4
119.03530	2.0
125.02452	1.3
125.06003	0.4
127.07696	0.4
129.01958	2.5
131.03557	0.8
150.94833	0.5
153.01930	7.1
161.04582	1.5
171.03050	0.8
174.64456	0.5
177.01994	0.5
179.05714	0.6
192.95856	2.7
221.06586	0.6
231.83275	0.5
280.72546	0.5
315.07269	1.1
315.10925	0.4
350.14557	0.8
350.23080	0.6
351.09372	3.9
351.13184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38024	0.4
57.03440	0.7
59.01379	12.2
61.98828	100.0
70.33144	1.0
71.01382	7.1
73.02941	1.4
78.95866	0.5
83.01372	0.7
84.02173	0.9
85.02957	2.7
89.02448	4.3
95.01414	0.8
98.21977	0.6
99.00931	0.6
101.02433	5.4
109.02962	1.3
113.02451	3.5
119.03510	2.0
125.02444	1.4
129.01973	2.6
138.52426	0.5
143.03572	0.6
150.94781	0.5
151.04071	0.5
153.01929	4.4
161.04593	1.6
165.85898	0.5
169.83759	0.4
177.01941	1.0
179.05649	0.9
189.07660	0.6
192.95883	3.6
195.03133	0.4
221.06635	1.6
263.00674	0.5
263.09442	0.6
286.54477	0.6
315.07239	1.1
332.64322	0.5
350.14551	0.6
351.09363	3.3
351.13113	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	350.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44302	0.2
55.01864	0.5
59.01365	0.4
60.90750	0.2
61.98815	1.0
69.69098	0.6
69.69438	0.2
95.01386	0.6
96.02162	2.6
98.21911	0.3
111.00885	0.6
118.72981	0.2
122.03735	0.8
123.00854	1.3
124.01653	6.8
124.98851	0.2
136.05197	0.3
138.03206	0.2
139.00346	0.8
151.00372	0.4
152.01138	8.0
153.01537	0.2
165.01906	0.6
166.02695	2.0
167.03462	0.3
167.14442	0.3
184.00117	0.5
192.95802	0.3
237.14935	5.8
238.15326	0.4
247.13216	0.2
265.14417	100.0
266.14761	8.4
266.17667	0.4
268.15305	0.3
278.18707	0.2
278.21918	0.3
289.21741	2.1
307.19077	0.7
307.22504	0.4
308.19440	2.4
309.19730	0.3
322.20944	0.6
322.43097	0.2
349.20142	0.7
349.27521	1.7
350.06836	1.4
350.11932	2.7
350.20544	6.2
350.27475	2.0
351.12357	0.3
351.21030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.197
Annotation	Stemonidine
Peak:m/z	Relative Intensity
59.01376	1.7
61.31610	1.1
61.98822	5.2
70.08768	2.7
73.92317	1.1
78.47910	1.0
96.95995	2.7
101.63177	1.0
109.01672	5.0
123.00890	8.1
125.02388	1.6
128.63026	1.3
131.95834	1.2
139.00352	2.2
141.01965	5.9
142.02242	2.8
149.49069	1.1
150.01959	6.1
151.00372	1.6
164.03523	2.7
186.95662	2.0
187.20575	1.2
191.14417	1.6
192.95891	3.1
195.17552	4.3
204.05251	1.1
204.17574	3.8
220.20676	2.4
234.44511	1.3
250.18106	28.7
251.18390	2.5
253.14470	2.7
264.19687	12.8
265.14749	4.7
265.17676	1.7
278.17526	2.2
278.21100	1.3
280.19156	4.2
281.17538	2.7
292.19086	2.9
294.17078	1.6
299.65573	1.1
299.83359	1.2
306.20828	4.5
307.19238	2.3
322.20734	1.9
350.19794	100.0
351.20313	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	350.1971
Annotation	Stemonidine
Peak:m/z	Relative Intensity
54.06863	0.5
59.01358	1.1
65.99834	1.3
66.03474	1.1
69.47698	1.4
78.01080	1.4
81.02171	2.1
94.02965	2.2
107.03771	21.4
109.02935	0.5
111.00882	0.8
120.04524	0.8
121.05329	7.1
122.02494	0.9
123.03225	0.8
125.02515	0.6
130.91969	0.5
136.04021	0.7
144.86040	0.6
218.19034	2.8
219.17525	8.6
234.18611	2.0
235.19406	1.4
236.20181	100.0
237.20518	6.8
244.20734	0.7
248.20152	1.7
250.18201	1.1
253.14378	0.6
260.20215	0.5
262.21738	60.6
263.22113	3.7
278.17749	0.7
280.19113	1.5
282.09454	0.5
291.15985	1.8
306.20734	84.9
307.21075	7.8
309.16861	0.9
315.23813	0.6
319.15503	6.9
350.19766	32.6
351.20398	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	350.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79893	0.6
53.88491	0.6
54.91194	0.5
59.01369	0.9
61.98827	1.2
62.02412	0.6
71.46745	0.7
78.01116	0.6
79.01876	0.6
83.01373	1.2
93.03450	1.1
96.02193	0.7
96.95994	0.9
109.02953	0.8
110.03725	0.5
121.02969	1.7
123.00886	1.5
124.01662	11.6
134.03786	2.9
137.02460	1.7
138.03239	7.1
139.00349	1.1
139.03575	0.8
141.01941	7.2
148.82291	0.6
150.02068	0.8
151.02718	0.7
152.01157	1.2
154.72751	0.6
164.03526	5.3
165.04295	0.9
166.02711	1.3
166.06514	0.6
179.99550	0.6
185.91357	0.7
192.95915	1.1
193.88545	0.7
219.17509	3.0
223.20636	0.8
237.14958	0.8
251.20148	1.2
261.18622	1.0
265.14438	18.2
266.14896	1.8
278.18832	3.0
278.21463	0.8
279.19641	28.6
280.19934	1.9
292.19183	3.6
293.17450	3.8
306.20728	100.0
307.21164	8.0
309.20480	1.4
309.86542	0.6
319.15353	3.0
322.20914	1.4
323.22150	1.4
350.20364	10.5
350.23419	11.9
351.21646	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	350.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
59.01373	1.5
61.98837	1.7
66.50327	0.8
81.03461	4.0
93.84983	0.8
96.02180	1.2
98.22587	2.5
106.70015	0.7
123.00873	2.0
123.04533	12.2
124.01678	6.5
138.03268	1.2
139.04022	1.8
141.01924	1.2
152.01163	7.4
166.02669	2.3
179.73068	0.8
186.85649	1.0
190.63332	0.9
192.95857	2.4
237.15021	5.0
238.00113	0.8
262.11066	0.8
265.14435	100.0
266.14774	10.6
291.15442	0.8
293.17615	2.0
306.18051	1.8
307.22708	6.3
308.22894	1.4
316.91492	0.8
323.18152	1.1
348.26981	0.9
350.07120	1.0
350.11972	3.2
350.16974	1.3
350.20761	15.1
350.27768	25.4
351.18060	2.0
351.21875	5.8
351.28244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43327	1.1
57.03453	1.6
59.01374	2.4
69.03448	3.7
71.34948	1.3
78.01097	6.3
81.02994	2.5
81.03452	41.2
82.03788	27.5
83.03874	5.5
83.04190	1.7
83.05024	3.2
83.85004	1.1
84.04218	2.5
87.00871	2.0
92.66264	1.1
95.05072	2.5
96.02183	1.3
96.05379	1.7
96.96004	1.8
97.02950	5.4
98.21822	2.1
110.03782	1.5
111.04552	2.3
122.03761	1.3
123.00913	1.8
124.01674	2.9
137.02441	1.5
137.06076	64.3
138.03209	3.1
138.06418	97.5
139.00356	1.4
139.04050	11.0
139.06609	79.7
140.04796	100.0
140.06856	29.0
141.01941	8.8
151.03990	4.3
166.02574	2.3
166.55307	1.4
178.08215	1.3
219.17542	37.1
231.69185	1.4
265.14465	11.3
266.14868	1.9
291.16089	6.0
298.30734	1.3
309.20682	2.7
319.15472	31.2
322.21014	3.3
323.22214	1.7
332.23532	10.5
335.21902	2.7
350.20364	33.7
350.24472	36.8
350.26953	34.7
351.21542	14.3
351.25287	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	351.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	2.0
65.03971	1.2
67.01864	1.1
71.01382	18.9
72.00893	1.0
73.02937	3.8
83.01381	1.1
84.04629	0.9
84.65002	1.0
85.02948	3.7
89.02454	18.1
93.37386	1.0
95.01384	1.5
101.02441	11.9
108.02161	2.0
109.02959	26.0
113.02489	7.8
119.03498	5.4
119.96536	1.0
123.04501	2.0
127.07659	3.1
129.05594	4.1
136.04030	3.3
142.47696	0.9
143.03433	1.3
147.04497	3.8
153.01935	79.7
154.02309	3.4
161.04572	7.3
164.07140	9.3
167.03526	3.6
177.01918	6.0
179.05623	4.0
189.01907	1.5
189.07628	3.8
192.95984	1.8
195.02983	9.4
207.02953	4.0
225.04047	8.3
255.05089	3.5
284.79013	1.0
290.59366	1.1
291.10803	4.4
315.07196	39.9
316.07574	2.8
351.04861	6.5
351.12817	11.5
351.71329	1.2
352.16312	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	351.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40887	2.0
59.01379	48.9
61.28100	1.7
61.76615	1.8
61.98829	4.8
71.01376	18.9
85.02953	2.7
89.02450	16.3
95.01402	1.7
100.13223	2.0
101.02441	13.8
113.02452	8.4
119.03505	7.9
127.07648	11.7
135.04527	30.9
138.05652	4.6
143.07130	2.7
145.08678	2.3
146.06143	11.8
153.01967	2.7
154.05571	1.8
160.07620	4.0
161.04561	2.9
188.07175	1.9
189.07678	15.8
192.95815	4.3
201.82315	1.9
217.77310	1.9
231.08736	2.6
272.34952	1.8
283.09808	2.0
315.10843	100.0
316.11200	10.8
333.38315	1.7
350.99258	1.8
351.12894	26.1
352.10159	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	351.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18586	1.3
52.08447	1.4
53.52649	1.5
55.01879	3.2
56.64965	1.6
57.03447	2.5
58.00563	2.3
59.01379	100.0
61.98839	12.2
64.47454	1.5
65.98254	1.5
67.01891	2.5
68.66437	1.6
69.03455	2.0
71.01380	49.6
73.02939	10.8
76.12666	1.8
83.01382	6.5
84.02169	5.4
85.02950	18.0
87.00881	5.1
89.02445	38.4
90.02775	1.8
95.01387	11.0
97.02934	3.1
99.00883	4.5
99.04536	3.3
101.02444	36.4
109.02959	5.9
113.02459	28.0
113.99627	1.7
119.03500	17.8
127.04037	2.1
127.07648	6.2
129.01942	30.2
131.03516	5.3
139.06085	1.6
141.01947	1.8
143.03490	6.1
143.07164	2.7
145.05075	1.8
153.01942	13.6
159.02963	2.2
161.04562	14.1
166.99867	2.3
171.02975	3.4
171.06622	3.1
179.05658	3.6
189.07721	10.0
191.17091	1.4
207.08647	1.8
221.06668	9.7
306.04300	1.8
315.07184	2.2
333.11923	2.1
351.09210	22.9
351.13058	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	351.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93117	1.1
54.52620	0.9
55.01865	1.2
59.01378	32.7
60.46267	1.2
64.80036	1.0
69.83776	2.6
69.84107	1.0
71.01388	12.0
73.02941	2.1
75.00859	1.3
85.02972	1.8
86.43393	1.0
87.00863	1.9
89.02435	6.0
95.05100	1.1
97.06592	2.4
98.22531	1.9
99.08159	1.3
101.02468	7.1
109.06580	3.2
111.08195	1.2
113.02452	3.9
119.03519	2.1
123.03281	3.1
123.08153	1.5
125.06095	1.5
127.07651	33.1
138.05629	9.3
143.07150	9.9
145.08664	1.6
146.06088	5.1
151.07658	1.5
158.06198	1.5
160.07753	1.3
161.04562	1.0
171.06653	7.4
173.08188	2.6
185.08235	2.7
188.07161	1.4
189.07681	47.6
190.08029	2.6
195.06525	1.3
213.07646	2.5
231.08763	7.0
259.11139	1.8
289.11804	1.4
300.74548	1.1
351.12939	100.0
352.02505	1.2
352.13647	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.80283	0.9
71.01382	9.1
73.02965	2.7
85.02939	4.0
89.02460	2.5
95.01401	0.5
101.02442	6.1
109.02962	1.2
113.02438	3.8
119.03522	0.8
122.24565	0.6
127.07650	5.5
128.08031	0.6
143.03540	1.0
147.06607	1.0
153.01935	4.1
159.03059	1.6
161.04549	13.3
162.04913	0.7
171.06619	3.6
195.03049	0.6
225.04172	1.0
249.81462	0.7
266.38828	0.6
291.10950	2.3
351.12952	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49788	0.4
59.01380	22.1
61.98816	1.7
71.01378	8.1
72.99284	0.5
73.02952	1.4
83.01405	0.5
85.02969	2.2
85.06584	3.3
87.00874	1.4
89.02443	6.7
96.35603	0.4
99.08157	0.9
101.02424	4.0
101.06138	0.5
113.02444	3.3
113.06101	0.7
119.03498	3.1
122.85890	0.4
127.07653	100.0
128.07999	3.1
129.05560	1.1
145.08687	0.8
146.02437	1.3
147.03284	3.3
153.05612	0.7
160.04048	2.0
161.04623	0.8
171.06631	71.4
172.07007	3.2
179.05614	1.6
189.07729	0.9
189.11295	1.6
197.29230	0.4
214.04974	0.5
217.87106	0.4
307.14084	1.1
351.12933	48.6
351.16620	3.9
352.10159	1.7
352.13998	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29563	0.6
59.01379	15.0
59.49428	0.5
69.62363	0.9
69.62702	1.7
71.01382	6.2
73.02933	0.9
80.68978	0.5
84.20309	0.6
85.02960	1.1
89.02428	4.6
95.01382	1.0
99.08154	0.8
99.23693	0.6
101.02427	3.9
113.02454	2.0
119.03504	2.1
127.07651	100.0
128.07985	3.3
145.08742	1.0
147.03244	1.1
153.05516	0.7
160.04053	0.6
161.04666	0.6
171.06625	75.3
172.07024	3.0
179.05556	1.0
189.11215	1.2
307.14056	1.1
351.12936	46.8
351.16547	2.2
352.13275	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72632	0.7
55.01835	0.7
57.03445	2.0
57.24997	0.7
57.49224	0.7
59.01378	20.8
61.98815	1.3
67.01877	1.0
68.99826	1.0
69.25228	3.5
71.01379	13.3
72.99303	3.4
73.02948	1.4
75.00870	12.0
83.01387	1.3
85.02950	16.6
87.00880	5.9
89.02446	3.4
95.01382	4.6
99.00887	9.0
101.06078	100.0
102.06409	2.4
103.00368	2.0
111.00893	0.7
113.02446	17.5
115.00393	1.5
117.01969	1.9
129.01866	1.0
151.03992	1.5
166.88756	0.8
175.02473	2.3
215.40025	0.8
220.13681	0.8
231.05032	2.3
249.06145	15.6
267.07227	0.8
333.11899	2.8
351.12930	68.1
352.13300	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86594	0.3
59.01378	12.5
69.25247	1.8
71.01380	4.9
80.82054	0.4
82.42548	0.3
85.02934	0.8
89.02435	5.0
95.01395	0.7
96.96014	0.6
99.08153	0.5
99.55045	0.3
101.02467	2.7
102.00104	0.3
108.87206	0.3
110.74232	0.3
113.02438	1.7
119.03513	1.8
127.07648	100.0
128.07994	2.7
145.08679	1.1
153.05542	0.5
165.47594	0.3
171.06625	74.5
172.06979	2.3
179.05615	0.7
217.09616	0.4
298.63788	0.4
307.13998	1.7
336.10678	0.3
351.12943	52.4
352.13348	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89286	0.7
52.64977	0.9
55.01874	1.0
57.03432	3.0
58.04096	1.4
59.01377	60.8
60.01707	0.9
61.98536	1.3
61.98829	16.3
62.69200	0.8
69.03438	1.1
69.86708	2.0
71.01381	25.1
72.99301	4.7
73.02924	4.7
75.00874	17.2
80.05081	0.8
83.01375	2.0
85.02946	25.6
87.00866	7.7
89.02438	14.4
93.10956	0.8
95.01363	5.7
97.06591	4.3
98.02448	1.4
99.00880	9.5
101.02431	8.9
101.06078	100.0
102.06410	1.7
103.00370	2.6
107.04981	1.1
109.02927	1.9
111.04532	1.4
113.02449	30.8
114.02802	1.0
115.00365	1.7
115.40308	1.0
117.01956	4.2
119.03482	4.1
122.06152	2.1
127.07652	2.8
128.93214	1.0
129.01924	2.1
129.05609	2.1
131.03500	1.2
131.08295	0.9
136.07646	1.8
138.05623	1.2
143.03442	1.1
146.02513	2.1
147.03255	4.5
147.05635	1.9
150.05634	1.7
153.01917	1.5
153.05519	1.0
155.13080	1.7
157.01425	1.0
160.04008	3.0
161.04581	2.4
170.04628	1.7
171.10362	1.3
171.40170	0.9
175.02455	3.0
179.05624	3.0
188.08409	1.2
192.95862	1.1
205.07184	1.8
209.17838	1.0
223.08058	1.0
227.08260	1.1
228.08972	1.5
231.05161	1.0
243.11383	1.0
245.12897	2.1
247.10884	1.5
249.06114	6.0
265.22873	1.0
267.07217	2.6
271.10913	5.3
277.10843	1.2
289.11926	3.1
291.10968	1.2
291.14478	1.5
292.08307	1.9
302.59433	0.8
333.11639	2.4
349.83936	1.1
351.12915	96.7
351.16534	7.7
352.09933	2.5
352.14078	4.3
360.15851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
84.08487	0.2
85.06161	0.2
95.01389	0.7
96.02165	3.2
111.00884	0.5
123.00877	1.4
124.01657	7.0
138.03162	0.3
152.01144	7.6
153.01883	0.2
164.22313	0.3
165.01921	0.6
166.02702	2.0
184.00203	0.3
195.17566	0.5
247.17084	0.3
265.18063	6.0
266.18387	0.4
275.16458	0.4
293.17563	100.0
294.17911	8.3
351.13498	2.5
351.17786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60607	39.6
59.01380	100.0
71.45692	44.6
74.93650	47.2
76.52692	46.3
90.52406	45.8
95.21363	41.5
108.27106	45.1
192.95882	99.1
196.74240	43.7
220.96552	42.8
236.66367	48.4
237.84421	44.2
277.18530	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	351.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72144	19.0
59.01373	31.7
60.88642	16.3
69.20472	100.0
76.16679	16.4
77.42954	15.6
78.82603	19.0
80.63087	14.5
85.13239	15.1
109.24146	16.1
117.59728	14.6
192.95819	30.8
351.15665	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	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31025	0.4
58.38161	0.4
59.01377	100.0
60.01716	0.8
61.98827	1.1
71.01391	0.9
74.02474	1.6
87.16973	0.5
89.02480	0.6
96.96054	0.9
101.02477	0.7
124.52286	0.4
152.03537	3.7
153.03922	1.0
190.61090	0.5
194.84773	0.5
203.08324	0.8
245.09334	3.7
245.11588	0.6
256.48102	0.6
351.11188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1707
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01366	4.9
69.45168	4.8
69.82501	1.2
71.71091	1.1
75.00870	11.0
87.35760	1.2
98.22688	1.5
120.37361	1.2
121.10250	7.4
171.08900	2.0
171.10262	16.3
184.79088	1.2
231.10268	1.7
275.20099	17.7
293.21259	13.1
351.17068	100.0
352.17432	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	351.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40881	1.0
57.97694	1.1
59.01352	3.2
61.29295	1.2
61.90659	1.1
62.95641	0.9
69.03435	2.2
69.50497	3.9
73.90105	1.0
78.01100	17.8
79.01881	1.6
79.95731	1.3
81.03443	4.4
82.03802	2.8
82.31922	1.0
85.02937	1.3
94.98035	1.3
97.02939	1.9
107.09211	1.0
111.00865	2.7
113.02396	1.3
137.06087	6.8
138.03189	1.6
138.06424	11.2
139.00357	5.2
139.04005	2.6
139.06578	8.9
140.04794	20.0
140.06853	6.9
141.01938	27.7
141.05109	9.7
141.07280	2.6
167.07211	1.0
219.17520	100.0
220.17834	7.9
231.10292	1.8
266.14758	1.4
269.21243	2.1
291.16010	19.7
292.16345	1.6
293.17664	5.2
307.19055	2.1
309.17221	2.0
309.20389	5.8
319.15472	85.3
320.15796	8.1
323.22156	5.2
333.23859	4.5
351.18253	2.9
351.21515	45.6
351.25186	12.1
352.21918	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	351.2174
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
55.01866	0.6
59.01364	0.8
64.03096	0.5
71.06595	0.7
73.80699	0.6
78.01099	7.8
81.77223	0.6
96.25394	0.5
97.76685	0.5
111.00879	8.2
111.90849	0.5
125.99562	1.1
139.00372	45.0
140.01064	2.4
151.14929	0.9
167.14412	1.5
169.15964	1.1
181.05063	2.8
191.14417	27.6
192.14717	2.0
197.15469	1.1
209.15433	3.3
235.13440	0.9
251.12852	0.9
252.13651	3.2
253.14436	100.0
254.14792	6.5
267.12430	0.9
279.22986	0.7
308.43021	0.6
309.19711	0.7
351.21725	62.2
352.18002	0.9
352.22122	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2175
Annotation	[1R-[1R*,4R*,6R*,7R*(Z),8R*,11R*]]-8-(1-Hydroxy-1-methylethyl)-4,11-dimethyl-5,12-dioxatricyclo[9.1.0.04,6]dodec-7-yl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
69.54483	0.9
71.48623	0.2
96.02162	0.5
98.22556	0.4
123.00887	0.3
124.01689	1.1
125.02436	1.2
136.01625	0.5
138.03145	0.2
139.00319	0.2
152.01151	1.1
152.81821	0.2
153.01935	6.4
154.02730	1.0
159.01775	0.2
166.02644	0.3
167.03459	0.5
181.59387	0.2
209.45872	0.2
265.18042	0.9
293.17581	31.8
294.18332	100.0
295.18661	8.4
307.26016	0.2
333.20731	0.5
336.19412	9.0
337.19659	0.9
351.21747	17.8
352.22052	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	351.2174
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
55.01879	0.6
59.01375	0.8
61.98801	0.2
62.66273	0.2
76.07339	0.2
87.00867	0.8
96.02174	0.6
100.66975	0.3
109.02943	2.7
110.03747	4.9
122.03760	0.4
123.00893	2.2
124.01676	1.6
125.02478	1.7
137.02451	1.7
138.03229	9.3
139.04059	1.2
140.04343	0.8
142.02695	0.9
148.21954	0.3
151.03903	0.3
152.01195	0.7
165.01927	0.4
166.02699	4.8
167.03481	2.2
168.03822	1.1
174.16063	0.3
179.03514	1.4
180.04283	1.8
181.04567	0.3
192.95872	0.4
198.01749	0.7
238.15150	0.5
239.20137	0.3
265.14349	0.4
266.14780	8.6
266.17667	0.5
267.15024	0.8
277.17953	0.4
280.13074	0.4
289.21820	0.8
290.17453	0.3
293.17520	0.7
305.21078	0.3
322.21121	0.7
323.18823	0.4
323.22202	7.5
324.22433	0.6
333.20798	0.9
350.20584	2.9
351.21683	100.0
352.22012	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	351.2173
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
55.01862	1.1
58.66858	0.3
59.01353	1.4
74.33275	0.3
78.01102	7.0
78.67374	0.4
84.02194	0.4
89.14243	0.3
111.00175	0.4
111.00881	7.9
112.01240	0.4
115.80863	0.3
116.52697	0.4
118.36267	0.3
123.00908	0.5
125.99574	1.5
139.00369	43.9
140.01067	1.5
141.01903	0.4
143.02388	0.5
151.14893	1.1
153.05574	0.7
167.14383	1.5
169.15973	0.6
181.05037	3.1
181.15935	1.2
187.48471	0.4
191.14406	27.9
192.14674	1.4
197.15536	0.4
209.15486	2.0
225.14862	0.5
235.13412	0.8
251.12834	1.0
252.13683	2.7
253.14432	100.0
254.14778	7.4
267.12332	2.2
307.19278	0.4
351.21732	60.6
352.22079	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	351.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
59.01367	1.5
61.98825	0.8
66.36407	0.5
67.01882	2.3
70.91494	0.6
71.05027	0.6
81.03461	1.1
83.05022	0.9
87.04504	1.0
88.40694	0.5
92.92799	0.7
95.01378	0.9
96.02177	2.7
96.96016	1.3
99.04485	0.6
108.02180	3.2
109.02943	1.5
111.00868	5.5
111.08176	0.5
112.05312	1.1
115.69869	0.4
122.03735	1.8
123.00883	1.9
124.01662	5.8
125.02460	3.9
127.00378	1.4
135.04532	1.0
137.06078	2.3
138.06430	1.5
139.06577	0.8
152.01135	7.8
153.01740	0.5
163.02254	0.5
165.01917	0.7
166.02704	1.8
184.00108	0.8
225.18610	3.8
247.20662	5.5
248.21112	0.7
249.22331	0.6
261.22137	0.7
263.16422	0.5
263.23792	0.6
265.18063	5.3
266.14774	1.2
275.20139	16.8
276.20432	1.8
277.21744	1.0
279.23212	1.6
289.21970	1.3
289.25342	14.6
290.25659	1.5
292.20419	3.7
293.17572	100.0
294.17917	10.8
294.21088	0.7
303.30798	0.5
307.22772	3.1
307.26373	9.5
308.23273	0.4
308.26749	1.0
319.15378	0.8
319.19122	13.1
320.19614	1.2
321.20758	4.3
351.13394	3.3
351.21674	2.2
351.25381	1.5
352.13782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13837	0.5
55.55396	0.5
57.03412	0.6
59.01369	1.8
61.98833	0.6
63.21500	0.5
66.84261	0.5
69.64908	0.7
69.65280	1.2
71.01377	1.5
72.02166	1.9
73.02949	0.8
79.63836	0.5
87.04512	6.9
87.24592	0.5
94.37505	0.5
95.10215	0.5
96.02160	2.7
96.96006	0.9
99.04555	0.6
111.00871	0.6
122.03723	0.8
122.38224	0.5
123.00884	1.5
124.01662	7.0
139.07616	1.3
141.05530	0.5
152.01140	6.9
153.01875	1.2
155.14375	1.4
159.47679	0.5
165.01947	0.9
166.02695	2.0
171.84218	0.6
184.00078	0.8
186.95634	0.7
263.23773	3.2
265.18060	6.1
266.18503	1.0
271.24310	0.7
277.25339	0.9
279.23257	1.2
289.22061	1.1
289.25424	1.9
291.19418	0.9
293.17578	100.0
294.18140	24.4
295.18674	1.1
298.92700	0.6
307.26395	13.1
308.26831	1.7
333.20724	0.8
336.19623	1.0
351.13336	3.0
351.17789	0.8
351.21716	6.2
352.22043	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	351.2539
Annotation	(-)-Ebelactone B
Peak:m/z	Relative Intensity
59.01368	3.6
68.87004	0.5
69.03471	0.5
69.20441	0.4
71.13821	0.6
96.02163	1.3
98.03734	6.5
110.09396	0.4
111.00862	0.6
121.94073	0.5
123.00907	0.8
124.01653	2.8
141.02840	0.4
152.01154	3.2
153.01724	0.5
159.31306	0.4
166.02759	1.0
212.10486	0.4
263.23685	2.6
265.18042	2.2
279.26926	0.8
281.24908	1.5
293.17575	48.1
294.17920	5.2
307.26410	100.0
308.19498	0.5
308.26752	10.8
309.20261	2.9
333.24210	0.7
351.13306	1.5
351.21609	0.6
351.25354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.254
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
57.71142	0.6
59.01367	2.1
81.03454	2.0
85.06577	3.8
113.06087	0.7
115.07639	1.9
122.03784	1.0
135.88953	0.5
160.84138	0.5
168.96347	0.5
186.95586	0.7
192.95880	3.9
193.15947	0.7
233.15584	0.6
235.17026	2.3
247.17061	0.9
263.16504	6.2
293.17557	2.9
308.18314	0.6
315.23285	1.5
319.22626	0.6
326.53998	0.5
331.22589	0.8
333.24377	2.0
347.22382	1.2
349.23798	10.3
350.24039	1.0
351.25369	100.0
352.25711	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	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.6
61.98828	100.0
63.86800	0.4
69.42212	2.1
71.01394	1.1
75.00876	1.0
85.02956	1.2
87.93590	0.5
93.46231	0.4
94.59464	0.4
99.00874	0.5
101.06083	5.3
102.06440	2.2
113.02466	1.0
114.02831	0.5
144.81841	0.5
146.04607	1.1
194.87413	0.4
244.68005	0.5
250.06483	0.5
308.13965	0.5
311.58917	0.5
351.12787	0.8
352.13354	5.4
352.17230	0.9
353.13571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85824	0.5
59.01371	1.5
61.98828	100.0
63.78976	0.4
69.11063	2.8
70.30017	0.5
89.90746	0.4
98.21868	1.0
129.68813	0.5
131.91985	0.5
270.15729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.4
60.01708	0.5
61.98827	100.0
69.34476	0.9
69.34865	1.1
71.01361	0.9
77.03967	0.8
81.03467	0.6
81.11347	0.4
83.01388	0.5
85.02937	0.6
89.02439	0.7
93.08877	0.4
101.02453	1.1
113.02440	0.6
119.05006	0.8
121.03010	0.9
135.04575	0.5
140.57245	0.5
146.06158	0.7
147.04459	0.6
149.02425	0.8
161.02399	0.6
161.06125	1.3
162.03183	0.6
163.04005	1.7
179.03487	0.6
190.02637	0.5
191.03503	1.7
203.03574	1.0
205.05042	28.2
215.03529	1.5
221.09090	0.5
233.04532	32.4
245.04608	1.4
263.05783	0.5
293.16147	1.1
353.08749	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	352.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	52.5
60.01721	1.5
61.98829	27.8
70.95792	1.2
71.01382	19.9
73.02940	5.4
83.01379	2.2
85.02943	5.3
87.00889	2.4
89.02432	6.0
92.78819	1.2
97.02925	1.5
98.58149	1.2
101.02443	17.6
101.29321	1.1
107.38574	1.1
109.02947	1.8
113.02433	6.1
116.05048	3.2
119.03495	4.7
128.05067	2.8
130.06633	13.2
131.03717	3.1
136.07878	1.1
142.06616	12.5
143.03514	1.4
144.04547	19.8
144.08177	20.9
145.05344	7.8
146.06116	100.0
147.06409	5.1
148.04019	3.2
153.01930	3.8
156.08202	3.7
158.06110	8.8
160.07690	33.8
161.04549	8.2
161.08150	1.2
164.07153	2.1
170.06070	12.3
174.09235	4.1
184.07648	1.4
186.05626	10.1
186.09286	1.5
188.07170	35.5
189.07516	2.1
190.05035	5.7
191.05516	1.7
192.69531	1.3
200.07187	2.8
205.05028	8.9
206.08223	4.5
218.08195	10.2
222.27879	1.1
232.06107	4.4
233.04526	11.0
236.02356	1.5
254.08281	1.9
293.16153	1.5
308.11371	7.2
317.11185	1.1
333.19760	1.4
352.10361	65.2
353.08267	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	352.1036
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
59.01376	22.4
61.98824	13.1
63.47647	0.9
69.03442	1.3
70.78555	1.4
71.01070	1.1
71.01388	14.5
73.02930	6.8
83.01380	2.0
85.02950	4.5
89.02446	6.7
95.11848	1.0
96.96025	1.2
99.00878	2.3
101.02438	16.5
103.39941	0.9
109.75870	1.0
113.02446	5.5
116.05068	2.5
119.03497	3.5
128.05072	2.7
130.06606	12.4
131.03786	2.9
131.05115	1.1
132.04538	1.2
138.08913	0.8
142.06636	12.4
143.06924	1.2
144.04543	19.1
144.08179	18.5
145.05350	9.6
145.08571	1.1
146.06114	100.0
147.03256	2.7
147.06451	4.8
148.04233	0.9
151.51675	1.0
156.08180	2.7
158.06087	10.7
160.04034	3.0
160.07677	33.6
161.04564	7.0
161.08011	1.2
166.06615	1.0
168.04507	1.1
170.06111	12.7
172.05806	1.0
172.07535	1.3
174.05577	2.0
174.09268	5.4
184.07527	1.4
186.05583	11.4
188.07164	34.8
188.33618	1.2
189.07419	1.6
190.05107	3.6
191.05597	1.6
200.07153	1.3
205.05042	2.0
206.08197	5.7
218.08199	7.7
232.06195	5.7
233.04572	2.7
254.08304	1.6
260.09430	1.4
290.10355	1.7
308.11514	6.2
352.10352	66.2
353.10724	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	352.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79845	1.5
57.03436	1.5
57.06461	1.4
59.01379	92.4
60.01705	2.0
61.98825	10.8
62.90749	1.6
71.01379	24.5
73.02944	46.4
75.00851	2.2
81.03436	2.0
83.01382	10.8
85.02944	5.7
87.00870	9.7
89.02430	6.9
92.05036	4.1
97.02959	1.5
101.02444	25.0
110.44484	1.6
113.02440	11.6
116.05025	2.0
118.02981	4.4
119.03488	2.1
119.05014	4.3
120.04536	5.9
127.07655	4.5
128.07964	4.3
131.03680	5.9
131.27402	1.5
132.04552	14.6
136.07730	1.8
144.04549	17.7
146.02487	34.2
146.06148	2.3
147.03265	93.5
148.04115	13.4
148.05142	2.7
150.05620	3.4
158.06059	5.4
160.04041	76.8
161.04456	6.8
161.06039	6.3
163.04019	2.0
171.06502	3.1
172.04019	15.1
172.06947	2.7
174.05582	11.8
179.02182	4.5
183.83200	1.5
185.04797	3.9
186.05661	7.2
190.05098	1.7
191.03499	4.1
191.05504	1.9
196.04030	2.9
202.05072	15.2
203.03526	10.5
204.04269	4.3
205.05048	63.6
214.05066	15.7
215.03450	2.1
217.05042	6.2
225.48485	1.4
232.05933	2.3
233.04549	100.0
236.02870	1.9
245.04616	10.3
248.09520	1.6
263.05569	21.0
290.00833	1.5
292.08185	6.0
310.09323	6.9
335.07321	1.6
342.68051	1.6
352.10269	81.0
352.17001	5.6
353.08649	53.5
353.12610	3.2
355.53259	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	353.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.6
59.01378	100.0
65.49588	4.9
68.99349	4.8
71.01379	54.1
72.99293	7.4
73.02937	19.5
78.17432	4.8
80.96532	5.0
83.01382	7.1
85.02951	13.9
87.00871	16.6
88.98822	13.6
89.02425	24.3
97.80438	5.5
99.00886	18.6
99.04516	7.0
101.02446	20.0
103.04010	9.4
111.00880	80.6
112.98784	19.9
113.02431	13.9
119.03497	7.6
122.17981	4.8
129.01920	12.8
129.21063	5.6
131.03514	13.6
131.08246	9.2
133.30873	5.1
142.99875	7.7
147.03012	6.5
155.07620	5.2
161.04570	29.2
161.08186	38.9
173.00900	18.9
173.02293	6.0
173.04611	6.1
173.10464	8.5
179.05643	8.1
191.05606	4.8
255.50691	6.3
279.10696	6.9
293.08722	29.3
353.08560	13.4
367.25763	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	353.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	23.1
59.01376	67.1
71.01375	43.0
71.86770	2.9
72.99301	5.8
73.02944	26.7
75.00865	5.9
85.02934	15.0
87.00858	11.6
88.04033	6.9
89.02440	26.8
96.32293	3.0
99.00314	2.9
99.00864	18.2
99.04507	37.9
101.02441	32.2
103.03996	13.3
109.02913	5.9
111.00893	20.5
112.98814	23.5
113.02438	11.7
115.00356	5.9
119.03506	5.6
129.01912	11.8
130.05074	3.8
131.03494	13.6
131.08243	15.4
141.00438	3.6
142.99818	10.5
143.03453	7.6
145.01445	3.0
147.03017	14.6
147.06639	7.3
151.08064	2.8
153.01910	18.8
156.99121	3.3
160.06108	4.2
161.04555	100.0
161.06580	7.5
161.08165	8.2
162.86325	2.9
165.03941	4.2
172.99573	2.9
173.00833	15.7
173.04514	7.9
173.10466	11.5
177.01981	3.3
179.05634	4.6
191.03830	3.3
191.05594	4.2
221.10252	3.3
225.04028	7.4
249.06114	10.2
254.99907	4.0
279.10843	4.4
293.08655	20.8
315.07004	4.6
341.48175	4.0
353.10641	16.8
353.14514	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.8
61.98827	18.6
68.13563	0.6
69.30753	3.3
77.03946	1.5
79.01856	1.5
79.75176	0.6
81.03470	1.6
83.01376	2.4
87.56551	0.7
94.96931	0.6
95.05040	1.1
105.03431	0.8
119.05006	2.1
121.02948	1.5
125.02341	0.9
133.06604	2.0
135.04497	1.1
141.42824	0.7
146.03740	0.9
147.04451	0.8
149.02431	2.2
161.02448	1.5
161.06068	4.3
163.04001	7.3
190.02713	2.2
191.03505	6.5
203.03534	1.8
204.04263	1.4
205.05038	88.2
206.05371	4.7
215.03499	3.7
231.02946	0.8
233.04533	100.0
234.04828	6.0
245.04428	3.6
260.64832	0.7
263.05701	3.2
353.08740	68.0
354.09033	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	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28189	0.5
59.01378	2.8
61.45736	0.5
64.57669	0.5
70.42802	0.5
70.43123	0.7
71.01385	1.2
77.03961	1.5
79.01887	1.6
81.03452	1.9
83.01377	1.5
101.02441	0.6
105.03454	0.8
105.07092	0.7
119.05022	5.4
127.12436	0.6
133.06540	0.6
135.04507	0.8
146.03737	1.5
147.04524	0.9
149.02454	1.5
161.06085	7.5
163.04004	2.1
165.01935	0.8
175.03978	0.5
177.05553	1.1
184.74344	0.5
189.05449	0.7
191.03482	4.4
191.05554	0.7
193.01352	0.6
201.05592	1.1
203.03511	7.1
204.04240	3.5
205.05054	67.5
206.05405	3.7
215.03514	2.1
217.05070	6.1
231.03000	2.1
233.04549	100.0
234.04938	6.5
236.03210	1.4
245.04535	11.2
246.05013	1.0
247.06024	0.6
261.03992	0.6
263.05585	24.1
264.05966	1.2
275.05655	1.3
277.07059	0.7
353.08762	59.6
354.09222	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	353.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93513	7.8
55.65596	8.1
57.03439	7.7
58.77402	6.9
59.01378	100.0
61.98828	8.9
65.70849	7.2
71.13381	13.7
71.49549	9.4
96.95954	9.1
155.10793	54.3
166.55754	8.8
167.14413	25.9
191.14357	13.2
257.99088	8.4
265.14432	10.0
319.40652	7.8
353.16022	39.0
353.23132	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01725	1.1
69.38605	1.4
69.39014	3.3
71.01398	5.4
71.84596	1.1
73.02945	1.8
83.01381	1.0
84.70203	0.8
85.02957	2.6
89.02438	2.3
96.96007	1.1
98.60660	0.9
99.04495	1.0
101.01853	0.8
101.02407	4.2
104.17978	0.8
113.02483	1.6
136.04178	1.1
159.10123	0.9
161.04596	1.9
161.13348	1.9
185.57750	0.9
197.99596	0.9
205.12323	6.2
274.03229	0.9
311.15039	3.3
353.23318	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	353.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59334	0.4
52.79782	0.4
56.25259	0.4
57.03443	0.4
59.01376	100.0
60.01715	1.6
61.98842	0.6
69.31393	1.3
69.31797	1.3
71.01376	5.4
71.61922	0.4
73.02950	1.9
83.01371	0.8
85.02951	2.7
87.00858	0.5
88.56693	0.4
89.02438	2.7
92.05112	0.6
95.01351	0.5
97.06583	0.6
99.00887	0.5
101.02444	3.7
110.68681	0.4
113.02451	2.6
119.03519	1.1
136.04001	0.7
161.04552	2.2
179.05577	0.6
205.12398	1.6
218.09448	0.6
221.14938	0.5
291.16052	1.0
311.14993	3.4
353.16010	1.0
353.23370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35956	26.7
59.01381	50.4
60.87585	26.9
86.70776	29.4
88.74883	30.9
98.21857	63.2
107.29793	30.3
124.74725	26.3
144.47333	27.6
149.09708	37.2
179.59161	27.3
267.17834	100.0
353.23383	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	0.9
61.98825	7.5
64.89033	0.9
71.01377	3.4
73.02941	1.3
81.35951	0.8
83.01418	0.9
85.02943	1.4
85.79235	1.0
89.02410	1.5
92.32045	0.8
96.96008	1.0
101.02436	3.6
113.02442	1.2
125.02409	0.8
134.43503	0.8
147.04529	1.0
149.02374	1.4
161.02417	1.0
161.04553	2.9
161.05893	1.0
163.03973	1.1
190.02724	1.3
191.03458	4.1
205.05052	14.8
206.05428	1.2
233.04543	19.2
234.05025	0.9
263.05920	0.9
264.02823	0.8
293.16040	9.0
334.29654	0.8
353.08841	16.4
353.12860	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	353.1863
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
52.14633	0.8
57.37988	0.8
59.01369	3.5
75.00872	4.4
80.88673	0.9
103.01487	1.0
125.87291	4.3
148.11201	1.0
157.86259	1.7
165.34438	1.0
171.10274	15.9
209.19144	2.1
233.19206	3.1
277.21716	16.0
278.22055	1.0
291.19498	1.3
292.23123	0.9
295.22766	22.4
296.23181	3.2
326.76498	0.9
353.18643	100.0
354.19150	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	353.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
59.01375	11.6
61.98798	4.5
69.03448	4.2
69.59216	11.1
70.31419	3.2
70.50930	2.7
73.02934	4.5
75.49117	2.6
80.02709	2.8
93.03460	4.4
95.05016	4.8
97.06577	8.9
98.98186	3.2
105.07129	4.2
107.05045	9.5
111.04604	3.7
121.06574	4.6
121.38758	3.1
122.03732	4.1
123.04477	3.6
123.08176	12.1
125.02486	4.1
125.06144	3.2
125.09726	60.0
126.10027	3.1
133.06575	30.9
135.08130	4.9
149.06117	6.4
150.06926	3.3
151.07639	11.7
155.10728	3.0
171.10234	3.2
183.10271	11.9
187.09778	4.9
191.10791	22.0
201.11330	6.5
209.11671	3.6
213.11310	9.9
218.44633	3.0
219.13940	3.0
227.12921	7.0
246.11186	3.6
246.44342	3.1
247.13454	3.4
250.12131	3.6
257.86398	3.4
263.12900	9.2
279.15814	6.4
285.14951	26.2
303.15985	100.0
304.16309	8.1
320.16232	13.8
321.16943	7.8
335.18533	28.5
353.15887	4.0
353.19632	13.6
353.23428	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	353.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
57.03450	14.1
59.01366	4.0
59.02730	2.2
67.51948	2.2
69.03452	10.3
69.52541	4.3
69.52937	4.2
71.01385	2.2
71.05002	4.4
73.02963	3.8
79.91362	2.4
80.02658	2.0
81.03454	4.1
83.01380	6.7
83.05011	4.8
85.02956	4.2
85.06535	2.4
95.05032	2.3
96.99300	10.9
97.02943	27.8
97.06574	14.5
108.02163	6.8
111.00875	41.1
112.01695	4.9
113.09727	23.0
123.08159	38.6
125.02442	8.8
125.09724	100.0
127.00391	4.8
136.05325	5.7
137.09747	2.7
139.07634	4.1
151.11264	16.7
171.10243	6.6
179.10770	9.2
181.08704	4.0
214.32632	2.3
231.17500	10.2
233.19104	7.7
241.18115	18.6
249.18590	28.2
250.18944	3.4
251.12889	2.7
265.17828	2.7
275.20111	4.3
277.18057	94.7
278.18451	8.3
279.19617	4.1
281.21188	40.2
282.21576	4.5
293.21292	3.0
294.18323	37.8
295.18692	2.7
309.20752	32.9
323.18732	23.7
353.16602	32.1
354.16995	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	353.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01854	1.1
57.03450	4.1
59.01369	2.6
61.98805	1.4
71.05011	16.4
73.02946	4.1
78.95922	2.4
83.05038	2.1
85.02957	1.1
85.06596	2.0
87.04514	1.7
97.06628	1.6
101.06076	1.8
111.00867	1.2
112.01697	2.0
113.09721	15.6
123.08186	1.7
125.09721	4.8
127.11272	1.6
152.99591	3.8
157.81938	1.1
193.15875	1.4
197.15492	1.7
225.18651	2.5
241.18057	1.1
253.21710	100.0
254.22124	8.1
259.85617	1.2
265.19830	2.4
281.21265	3.3
291.19604	3.6
309.20697	42.8
310.21051	3.2
353.21225	9.3
359.19635	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	353.1967
Annotation	Hexamidine
Peak:m/z	Relative Intensity
52.66432	1.7
53.15843	1.6
57.03447	13.9
59.01365	4.7
61.98837	4.4
69.03449	2.1
70.93911	3.0
71.05026	4.6
94.81751	1.9
104.24335	1.6
113.09702	16.0
125.09719	3.6
137.09685	3.1
139.11322	4.1
171.02138	1.9
194.88434	2.0
194.92795	2.6
209.18886	1.9
229.65813	1.8
239.20259	3.0
249.18697	2.7
253.21724	100.0
254.21976	6.1
276.15979	2.7
277.18085	2.2
281.17572	1.9
281.21204	8.1
291.19672	7.9
293.17603	2.4
309.20728	44.3
310.21033	3.6
310.42978	1.9
310.90967	2.2
353.19708	54.8
354.20004	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	353.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82746	0.6
53.90903	0.6
59.01376	0.7
61.98812	1.8
69.03448	0.7
69.37548	3.4
78.01095	9.8
82.86354	0.6
96.99304	1.7
109.11777	0.7
124.98798	1.8
125.99604	8.4
130.31088	0.7
137.99606	1.4
139.00378	6.6
140.01149	0.8
200.04099	0.7
212.82288	0.8
223.20662	2.5
225.22238	1.9
247.20636	15.1
248.20992	1.6
251.20081	1.3
253.21770	1.5
279.19559	1.5
293.17596	1.7
295.18939	1.3
307.19174	5.9
309.20697	100.0
310.21066	9.9
310.69955	0.8
315.70871	0.8
335.18643	4.0
353.04700	3.4
353.19345	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.12553	0.2
51.64922	0.3
61.98806	0.3
79.95732	1.0
87.63914	0.3
96.96004	6.8
98.22585	1.0
111.67512	0.3
122.97577	0.5
137.91084	0.3
147.08130	0.5
162.06834	0.4
163.11279	94.9
164.11601	4.2
177.09201	69.7
178.09523	3.7
211.73982	0.3
221.19157	0.4
222.08934	0.6
225.22203	1.2
251.20210	0.4
281.21268	0.7
309.20837	0.4
333.09842	0.3
353.21173	100.0
354.21515	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	353.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87904	12.6
64.01801	13.8
70.90562	16.9
74.22897	11.8
79.95729	17.6
84.91649	15.8
89.59746	13.8
91.02668	12.6
96.96001	97.5
101.51511	12.5
108.58415	13.0
119.66271	12.4
143.63002	13.1
215.16736	13.2
221.15337	13.8
239.45163	13.6
293.17572	54.4
353.20056	100.0
354.20557	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	353.225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86871	16.5
56.39295	18.5
61.98845	22.5
78.65158	17.0
96.96014	81.7
121.97318	18.3
144.90074	19.6
156.65437	18.7
226.38640	17.6
281.21164	18.9
293.17648	61.8
294.17947	21.3
309.20636	56.8
326.33170	21.1
353.16095	20.9
353.19949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94817	3.4
65.62727	3.9
66.04697	3.8
70.16951	7.8
80.04084	4.5
82.85201	4.0
88.99505	4.2
120.85098	4.9
125.02414	4.5
143.17009	4.3
145.06654	4.7
147.04503	9.9
149.06055	7.0
159.04477	4.3
161.06068	5.8
163.03979	5.5
165.05496	6.4
177.05591	4.1
189.05559	7.4
191.03485	100.0
192.03833	7.3
193.01387	10.2
193.05107	19.9
213.75334	4.3
233.04482	21.3
239.16092	4.3
251.80501	4.1
293.15738	4.6
311.07739	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64784	20.0
53.09016	20.5
59.01375	37.4
62.72015	19.8
69.22414	100.0
84.05343	22.4
89.21617	18.8
123.10712	22.1
134.96500	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80780	6.1
59.01376	100.0
60.01716	14.2
62.83114	6.5
71.01372	32.3
73.02937	9.1
89.02435	34.8
90.33890	6.3
91.47443	7.3
104.19164	5.8
107.70861	6.6
125.02440	10.7
151.95956	6.4
156.27371	7.4
157.09241	6.6
193.01419	9.6
193.05034	7.8
193.08672	40.6
220.67270	6.2
223.76833	7.4
256.05597	7.8
284.54605	7.7
294.09052	16.1
342.32181	7.5
345.98383	6.4
355.13956	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	354.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41662	0.9
53.47810	0.7
53.97031	0.7
61.98827	100.0
69.18055	2.5
69.18475	2.9
92.92830	0.9
96.95988	2.6
97.63310	0.8
97.94849	0.9
123.66080	0.9
137.74365	1.1
163.11272	6.5
164.11601	5.5
177.09190	5.7
178.09544	5.0
236.03400	1.1
247.20633	1.8
279.15851	3.0
280.16296	2.0
291.19635	0.9
301.21713	1.1
354.21436	17.3
355.04016	2.0
355.22208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1919
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
51.10396	1.1
59.01382	1.7
68.99821	2.0
69.92089	3.3
70.58633	1.0
71.68176	1.1
81.72469	1.1
82.70921	1.0
83.16935	1.1
93.99339	2.2
94.93826	1.1
99.92595	4.5
109.01713	4.6
122.02501	2.1
123.00875	2.2
123.03296	1.5
137.01247	2.2
138.01973	1.1
141.86800	1.8
141.93623	1.8
150.01982	2.2
151.02684	2.3
153.01849	1.0
167.14368	2.2
168.03072	1.2
181.01434	4.8
182.04523	1.6
192.17586	3.8
220.17087	5.0
222.15001	8.0
223.13426	1.1
236.16556	22.8
236.18924	1.1
237.14874	2.2
249.13741	3.7
250.14459	17.4
250.18274	1.3
264.15994	6.4
266.17743	2.5
281.16321	3.2
294.06055	1.4
294.17102	10.0
295.17911	2.2
322.16647	3.9
326.19836	2.1
354.19254	100.0
355.10098	1.1
355.19592	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
59.01361	0.9
59.84918	0.6
69.26986	2.5
69.27387	1.3
105.03455	0.8
105.07085	0.8
107.05043	5.3
117.07117	1.3
119.08665	2.0
119.91869	0.7
120.05794	0.9
121.06580	0.9
129.07118	3.6
130.04208	1.7
132.05838	1.0
133.06601	0.8
134.03668	0.7
135.04539	5.4
135.08177	1.1
138.69298	0.6
145.06560	3.5
147.04594	0.9
147.08163	2.8
148.05289	5.8
149.06088	5.8
151.27132	0.7
158.03722	7.7
159.04503	0.8
161.06050	8.7
162.03230	3.8
163.04019	0.8
163.07652	29.4
164.07971	1.1
168.10512	0.8
172.05272	2.6
173.06071	21.6
174.06450	1.4
175.03983	1.7
175.07629	1.9
176.04784	8.2
188.04750	1.0
189.05579	7.7
190.06203	1.1
191.07138	26.5
192.00665	1.8
192.07460	1.0
193.01321	1.0
193.05087	3.0
201.05624	0.9
203.07149	7.4
205.05045	1.1
207.06635	26.2
208.06993	0.9
217.05054	4.6
234.01697	1.1
235.06107	100.0
236.06465	6.0
239.42422	0.7
265.07123	4.5
277.07175	0.8
283.91925	0.7
327.07199	0.9
355.10327	19.6
356.10712	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02165	0.7
55.01874	1.9
59.01368	1.6
61.98827	10.0
70.96831	1.3
71.01389	1.1
95.10873	0.8
105.07071	1.8
107.05040	5.4
112.37971	0.8
117.07137	0.9
119.08632	2.9
121.06606	1.8
128.35007	0.7
129.07085	4.3
129.71359	0.7
130.04221	2.4
131.04950	0.9
131.07117	1.0
133.06586	1.2
135.04523	5.2
145.06561	4.2
147.04478	0.9
147.08130	2.4
148.05327	3.7
148.06293	0.9
149.06081	6.5
158.03760	7.9
161.06070	8.0
162.03198	2.0
163.03951	1.1
163.06255	1.4
163.07643	29.4
164.07918	1.5
172.05316	1.7
173.06075	23.6
175.03993	1.8
175.07603	1.3
176.04790	9.3
188.04802	1.9
189.05591	9.9
190.06293	1.5
191.05409	1.4
191.07153	27.5
192.07405	1.7
193.05061	3.0
201.05664	0.9
203.07161	7.1
205.05029	1.1
207.06638	24.0
208.06989	1.5
217.05075	4.3
235.06113	100.0
236.06418	6.4
265.07126	4.3
293.12411	2.5
311.78674	0.9
355.06873	0.9
355.10333	20.6
356.10620	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	355.1578
Annotation	Dipegine
Peak:m/z	Relative Intensity
61.65401	1.7
69.47318	6.7
72.70057	1.8
84.93884	3.8
97.25260	1.6
98.21870	1.4
99.92578	49.0
100.92677	2.6
100.93357	11.8
107.07734	1.3
115.92069	16.4
116.57720	1.3
116.92854	100.0
117.92865	6.1
143.09796	1.4
172.22830	1.7
177.33914	1.6
247.20680	2.2
286.29105	1.4
355.15802	64.2
356.16095	6.2
367.24213	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	355.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12830	1.0
59.01356	1.2
60.06921	0.8
64.24726	0.9
70.28280	2.3
80.02643	1.1
81.03452	1.7
83.05035	1.3
111.00889	6.6
120.92503	0.9
137.99564	1.0
144.63858	1.0
179.17979	2.7
193.15977	4.3
195.17526	100.0
195.53857	1.3
196.17908	5.3
207.17563	1.5
223.17067	2.0
227.20160	15.9
239.16406	1.5
246.70477	1.0
251.16473	11.0
252.17139	4.6
255.19635	25.5
256.19843	3.2
279.16006	6.2
283.19128	36.3
284.19354	2.2
296.16202	6.3
297.16986	5.6
311.18610	2.0
354.50958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18356	0.8
50.52311	0.6
55.96320	0.7
58.00584	0.7
59.01373	1.6
67.01885	1.0
71.07128	1.0
73.02937	0.7
80.02660	1.3
83.05037	0.8
102.86013	0.7
104.08480	0.7
111.00881	6.8
179.17963	1.9
193.15962	3.5
195.17526	100.0
196.17889	5.5
207.17540	1.8
223.17133	1.6
227.20139	19.7
228.20502	1.6
239.16541	1.7
251.16550	5.7
252.17351	3.4
255.19637	29.6
256.19971	1.5
267.15973	0.8
279.15909	2.3
283.19138	46.3
284.19476	2.7
296.16312	4.2
297.17053	2.2
311.18494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61686	1.2
61.98828	2.3
70.27584	1.2
74.49761	1.3
83.83420	1.2
96.93923	1.4
124.71858	1.5
136.05254	1.4
149.06070	3.1
201.05522	2.8
218.36781	1.4
275.23785	90.6
276.24179	8.4
277.21704	18.8
319.22760	100.0
320.23093	11.9
355.22629	13.7
355.26447	20.2
356.22849	1.8
356.26807	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.6
68.99817	6.6
69.55595	8.4
69.55938	3.1
73.02935	4.9
82.20379	2.5
85.09293	2.5
87.92358	2.3
96.99319	3.6
98.03761	2.9
98.22610	5.8
99.00872	14.9
110.00092	3.7
111.00824	3.1
124.01644	7.1
125.99593	4.6
138.76248	2.4
172.08841	2.2
186.99944	2.4
207.17563	4.4
223.20609	23.9
225.18712	4.3
249.18561	6.1
251.20169	15.2
269.23425	2.7
277.18073	73.2
278.18594	6.8
279.19675	18.3
281.21054	4.8
295.18994	4.8
305.17542	53.6
337.20175	100.0
338.20520	8.9
355.20560	5.8
355.26263	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	355.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.8
64.02608	1.7
70.05157	4.7
80.02688	2.7
83.05029	2.7
98.22645	2.1
139.79919	1.7
181.92868	2.3
221.19109	5.3
223.20665	100.0
224.20918	8.2
229.25624	1.7
251.07628	1.9
267.19614	5.0
283.22766	84.4
284.23120	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57089	1.3
60.31813	0.9
61.98818	5.1
70.09444	1.0
70.87931	1.4
70.88268	1.5
73.57419	1.1
74.98587	1.1
88.75443	1.0
115.71291	1.1
121.02901	2.3
191.03468	2.5
249.22220	34.0
250.22629	3.0
254.85497	2.0
265.21780	3.8
267.23276	90.1
268.23602	7.5
275.20068	1.4
293.21210	18.8
294.21664	1.3
311.22256	39.2
312.22556	3.4
337.20206	72.2
338.20459	6.3
348.22659	1.4
355.21246	100.0
356.21594	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01375	3.1
69.68642	1.1
69.69011	3.2
71.34740	0.9
77.26196	0.8
80.86066	0.9
94.11440	0.9
96.48183	0.8
97.88441	0.8
98.96201	3.2
109.02928	1.2
116.92877	0.9
116.97199	0.9
122.03741	8.5
135.04515	21.2
147.08130	1.2
149.09727	5.8
156.96696	0.8
161.09680	9.9
163.07652	2.4
163.11272	47.1
164.08405	14.7
164.11629	2.7
165.09091	2.1
167.70392	1.0
177.09195	67.4
178.09970	19.6
179.10762	100.0
180.11008	5.4
184.01239	0.8
187.11243	1.4
191.10747	10.4
193.08720	2.1
279.13864	1.2
280.14734	3.4
295.18329	1.5
298.15704	50.0
299.16046	3.6
307.17258	1.5
321.18951	1.3
322.19189	1.6
323.13516	1.0
337.17511	1.0
337.18591	0.9
337.21689	52.4
338.22070	6.4
340.20395	88.3
341.20755	8.5
354.47433	1.1
355.22800	89.7
356.23026	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.228
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
55.27184	1.4
61.98821	5.6
69.90699	1.2
70.32030	2.6
70.32395	1.6
78.73405	1.4
92.92796	3.8
94.92576	1.4
98.95605	3.7
106.84974	1.2
108.07865	1.3
115.05482	1.4
122.89471	1.5
123.00861	1.4
157.88617	1.5
159.04543	5.8
159.17056	1.2
159.93835	1.3
161.06062	12.5
163.07654	3.2
175.07596	2.0
187.04004	1.6
188.04788	11.4
189.05563	3.9
241.90814	4.2
273.89780	2.4
303.77298	1.7
327.23212	3.0
355.03961	19.0
355.22833	100.0
356.04169	2.2
356.23215	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	355.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82730	92.2
77.22569	33.0
92.97887	30.5
99.92587	54.1
116.92840	100.0
175.83316	36.5
202.92732	33.1
212.83405	30.8
290.63547	30.9
346.45871	33.2
349.73517	32.7
355.15778	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2641
Annotation	Dysolenticin G
Peak:m/z	Relative Intensity
55.01878	4.3
79.75367	0.3
93.28017	0.3
93.28644	0.3
95.05025	1.4
98.22640	0.7
105.07098	0.7
122.03698	0.5
136.05286	6.7
137.06064	1.4
149.06076	13.3
150.06520	0.7
151.03935	0.5
163.07651	4.5
177.09245	1.1
191.10730	0.9
205.12350	1.6
339.22922	0.4
353.24835	1.2
355.26395	100.0
356.26749	12.7
356.30093	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	356.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50215	0.7
58.99600	9.6
59.01379	4.8
60.97533	1.4
64.60068	0.7
69.16050	1.2
69.16446	3.2
71.01379	0.7
77.75095	0.7
81.02200	2.0
82.02981	14.7
85.02959	0.9
92.05039	1.2
94.02975	3.3
106.06637	9.2
107.03771	7.3
107.04977	0.8
108.00885	3.3
108.04552	12.7
108.08212	1.0
109.01699	4.9
110.02439	1.2
110.06085	2.1
115.36289	0.8
120.08185	7.8
122.02505	1.1
122.06139	0.8
126.01894	0.8
134.06116	3.2
136.04044	4.7
136.07672	11.2
138.09212	1.0
141.12379	0.6
146.09752	1.1
148.04013	0.7
148.07649	1.1
150.05632	4.3
161.04773	0.9
162.05559	2.1
162.09236	5.1
164.07164	28.7
164.10805	10.6
165.07620	0.9
166.64551	0.7
172.07631	2.2
180.06635	6.8
180.40431	0.7
190.08739	19.8
191.09134	1.1
192.06700	0.7
194.04590	2.3
198.05788	1.1
206.08228	1.9
208.06180	4.4
208.09781	81.3
209.06970	3.5
209.10126	4.1
216.06712	1.0
234.07680	5.1
240.07007	6.3
249.90125	0.8
250.05437	2.0
252.08806	0.9
262.80325	0.7
268.06464	100.0
269.06720	6.8
278.06790	0.9
312.05453	15.0
313.05948	1.1
356.04440	12.8
356.09207	1.3
357.04523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0986
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01379	5.2
67.90673	0.4
69.30472	2.1
71.01383	2.9
79.85590	0.4
83.05026	1.0
85.02970	1.0
88.51472	0.3
89.02435	0.5
91.57706	0.4
94.59750	0.4
95.01383	0.4
95.03764	0.4
101.02451	0.6
103.91893	0.4
104.05048	0.7
106.06624	100.0
107.06958	3.5
109.02940	0.4
110.02515	0.4
113.02429	2.2
116.29103	0.4
118.06622	3.1
120.08201	0.9
124.01643	0.6
125.02442	1.1
145.03058	0.5
146.06110	1.3
150.05609	82.7
151.05928	3.3
161.04529	0.4
161.06075	0.4
162.05609	0.5
164.07155	14.4
179.07184	0.7
180.07500	0.5
181.12402	1.0
192.06668	11.3
193.07022	0.7
194.04579	15.5
223.06094	0.5
235.13515	0.7
236.05695	1.3
237.03970	0.4
239.05725	0.4
240.16226	0.5
253.14511	2.8
296.07788	2.4
297.13406	0.7
356.09851	8.4
356.16910	0.5
357.10638	0.7
357.15482	2.5
361.10117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	70.9
70.01878	9.7
70.90598	14.2
71.01369	16.4
72.90373	8.9
72.98700	8.9
82.95381	10.8
84.37082	9.8
87.00877	12.4
101.02441	15.6
113.02422	20.0
117.17545	9.6
151.03996	100.0
175.03989	22.7
176.04362	29.1
264.60501	12.4
357.11850	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	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27105	0.4
59.24263	0.3
61.98825	100.0
66.75112	0.4
70.33997	0.7
128.02254	0.4
143.17905	0.4
184.27457	0.4
192.95886	0.6
221.15623	0.7
293.17242	0.4
327.12814	0.4
351.14182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.43487	0.9
69.16031	4.7
75.66808	0.7
92.55064	1.0
100.42902	0.8
112.01186	1.0
145.02534	0.9
196.17932	1.5
241.82527	0.9
259.17065	1.9
288.75922	0.9
357.24384	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	357.1187
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01871	1.0
57.03440	2.5
59.01370	1.0
62.66824	0.4
69.53729	0.8
69.54078	1.1
71.01400	0.5
71.05016	0.6
73.02937	0.4
75.74007	0.4
85.02928	0.4
93.03480	0.6
95.05025	12.6
96.05325	0.6
96.40082	0.4
105.07093	3.9
107.05039	0.7
109.02938	0.9
109.06606	2.4
118.96941	0.3
119.04994	0.5
123.04531	0.6
123.08131	0.5
123.82673	0.4
125.06133	0.6
125.57600	0.3
133.06572	1.6
136.05296	2.2
149.06078	25.9
150.06404	1.1
151.07642	100.0
152.01111	0.4
152.08005	3.7
153.01952	0.8
160.05281	2.6
161.06139	0.7
162.26477	0.4
163.07617	1.1
165.09189	0.7
167.03418	0.4
173.06084	2.2
175.07632	18.7
176.08022	1.3
177.05611	0.7
187.07524	0.9
189.05615	0.5
191.07095	0.7
193.08743	1.7
195.06615	45.3
196.06966	2.4
205.08676	0.7
219.06618	3.0
237.07671	12.7
238.08173	0.6
252.91179	0.4
267.08759	2.2
292.72641	0.4
357.11902	16.2
358.12180	1.3
372.06921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61877	0.5
55.01907	0.4
57.03445	2.5
57.42497	0.4
59.01361	0.4
59.81668	0.3
69.60593	1.4
71.05022	0.5
82.89135	0.4
83.05020	0.5
95.05021	12.9
96.05354	0.4
97.39399	0.3
107.05050	0.5
109.06585	1.7
121.17114	0.4
123.08129	0.6
133.06580	1.5
136.05318	2.2
149.06052	0.9
151.07639	100.0
152.07997	4.7
175.07535	0.5
177.01974	0.6
177.05540	1.1
195.06612	51.1
196.06892	2.4
233.30544	0.4
262.62769	0.4
309.16269	0.4
357.11887	17.9
358.12192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50715	2.6
50.52241	3.0
56.71989	2.9
59.01375	15.3
62.63743	2.9
71.01359	3.9
72.97526	3.0
73.02932	3.6
78.04536	3.0
89.02424	4.6
93.03397	2.9
95.05043	5.8
101.02457	3.2
105.07079	13.5
107.05013	3.7
108.02151	6.7
108.26388	2.6
109.02922	3.2
109.06635	4.7
119.05036	4.0
123.04527	15.6
125.02432	9.0
133.02994	3.7
133.06584	8.6
135.04512	7.2
136.04005	4.1
149.04861	5.7
149.06070	100.0
151.04103	4.2
151.07646	37.0
153.05586	4.7
160.05301	9.2
161.05954	4.3
163.07635	4.5
165.09200	3.5
169.01416	18.3
173.06079	6.4
175.07642	78.9
176.07965	8.0
177.01892	9.4
177.05545	18.4
187.07635	4.3
193.08658	5.8
195.04933	6.0
195.06592	34.9
196.65047	2.8
210.77919	3.3
211.02438	6.9
219.06572	9.2
237.07686	60.6
267.08755	12.2
293.31604	3.4
294.99081	5.2
297.00336	15.2
310.36411	3.0
334.90201	3.1
357.04153	3.6
357.08078	7.4
357.11792	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37067	0.7
54.15112	0.8
55.81039	0.8
57.91394	0.7
59.01376	14.7
59.97527	0.7
61.98821	1.5
69.06921	3.4
71.01379	5.7
73.02928	2.3
74.02461	3.3
81.03452	15.5
83.01372	1.0
85.02936	0.8
89.02431	1.2
91.05519	1.6
92.05042	2.5
93.03455	1.7
98.02446	2.2
101.02413	1.8
109.02938	2.1
109.06584	2.5
113.02441	1.0
123.04521	78.6
124.01682	1.3
124.04832	2.7
125.02423	2.4
133.06596	53.0
134.06914	2.4
135.04524	26.3
136.04022	4.6
136.04912	1.2
137.02428	1.2
142.11104	0.8
151.07625	5.1
153.01939	2.2
162.03230	0.7
165.51347	0.7
169.01369	1.8
177.05566	75.2
178.05875	3.4
193.98515	1.0
194.08076	0.8
195.06612	100.0
196.06956	5.7
211.02444	1.3
213.07774	1.6
269.11426	1.2
297.09531	0.8
314.13425	1.1
315.10751	1.3
346.82690	0.7
357.08383	1.3
357.11920	27.6
358.12057	2.1
358.16235	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	46.9
71.01382	18.3
72.99299	1.2
83.01404	0.8
85.02943	3.4
89.02441	19.1
95.01375	1.8
96.82658	0.8
101.02436	12.1
108.02180	1.3
113.02445	7.8
119.03493	7.9
131.03549	0.9
140.42981	0.7
155.54074	0.8
157.17407	0.7
161.02422	2.1
162.03220	69.2
163.03775	4.9
177.05568	100.0
178.05893	6.5
179.05653	0.9
195.06631	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	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98823	15.5
63.55976	5.3
69.38190	16.3
69.38609	12.4
71.01373	24.2
72.99307	7.9
82.95415	15.2
83.04971	5.5
85.02954	8.3
87.00887	6.3
89.02440	24.9
97.06554	9.8
98.22616	9.3
100.62042	5.8
101.02445	9.8
105.57092	5.5
114.67879	5.8
119.03523	11.1
125.02465	8.8
128.05537	4.7
130.08810	6.1
135.04446	5.8
142.09961	6.7
153.00684	9.0
153.05586	28.8
161.04587	7.2
180.04298	9.5
195.06602	11.1
209.49051	5.2
236.32008	5.6
251.12921	9.3
285.13455	23.6
291.99109	6.0
310.87686	5.4
314.15106	7.0
344.79477	5.9
357.15344	15.6
357.21075	17.5
358.14023	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	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.1
61.98832	2.4
67.84727	0.5
69.51641	2.2
71.01377	19.7
75.83696	0.6
82.03650	0.6
83.01391	0.6
85.02940	3.6
87.00937	0.6
89.02441	19.7
95.01357	0.9
95.70920	0.6
101.02438	11.3
108.02141	1.0
113.02462	5.4
119.03506	9.6
123.04494	0.7
133.35106	0.6
134.03732	1.6
143.03537	1.0
149.04538	0.9
151.04015	0.8
161.02422	1.7
162.03220	61.1
163.03729	3.4
177.05562	100.0
178.05936	5.8
179.05573	1.2
195.06645	6.4
299.20322	0.6
304.98865	0.6
357.12115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
50.32896	0.4
54.05727	0.4
57.03451	0.4
59.01370	1.3
69.36734	2.0
71.01378	0.8
78.39929	0.4
91.46646	0.4
97.02907	0.5
99.88136	0.4
102.69739	0.5
108.02183	0.6
109.02969	1.0
111.09473	0.4
111.62861	0.4
119.03553	0.4
123.04514	1.2
124.01685	0.8
124.19019	0.4
125.02496	0.5
130.08698	0.6
135.04497	3.7
136.05310	0.6
137.02443	0.7
149.02528	0.5
149.06082	0.6
150.03221	1.0
150.05640	0.5
150.06866	12.3
151.07642	66.0
152.07983	3.4
153.05602	0.8
153.09198	1.5
165.05571	1.9
165.09225	1.0
179.03517	0.5
189.01947	1.1
193.04993	0.8
193.08699	1.5
194.05833	34.4
194.57309	0.5
195.06615	49.8
195.10251	18.1
196.06956	3.0
196.10664	0.9
217.01250	0.5
219.06635	2.4
237.07596	3.2
249.07652	0.9
267.08890	0.8
269.70093	0.5
357.11884	100.0
358.12231	8.7
360.67203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03436	1.3
59.01110	1.0
59.01381	12.4
59.46763	0.5
65.28412	0.6
69.03453	8.0
69.24641	1.1
69.25051	1.9
71.01379	4.3
72.99308	5.7
73.02943	0.9
81.03458	0.6
83.01376	0.6
83.05032	1.8
85.02931	4.1
95.01392	3.2
95.04997	1.1
97.02943	4.5
97.06622	0.7
102.05614	0.7
108.02172	1.7
109.06543	0.9
111.04515	4.0
113.02434	2.7
114.25690	0.6
121.02937	3.5
122.23483	0.6
123.00892	7.6
123.04541	0.6
124.01666	1.2
125.02497	0.7
134.63454	0.6
138.03192	0.6
139.04037	3.9
141.01941	30.2
142.02266	1.2
146.04572	1.6
151.07701	0.6
153.01978	0.7
155.10760	3.6
177.11562	0.6
179.14281	0.6
195.10234	0.7
205.12361	2.2
207.10329	2.6
210.07787	0.6
212.64474	0.6
217.12419	0.7
223.13416	2.1
225.11226	1.0
233.11807	0.8
233.15579	0.8
249.15129	0.6
251.12968	1.1
259.13376	2.4
261.11282	3.3
262.11813	0.8
267.12494	0.9
277.14478	2.1
279.12421	5.8
285.13535	3.2
295.15527	2.7
297.13367	8.8
303.12445	1.0
321.13248	3.6
339.14496	7.5
357.15530	100.0
358.15942	8.0
372.91516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01850	0.7
55.43813	0.4
57.03442	3.1
58.44244	0.4
59.01379	27.7
63.83952	0.3
65.03952	1.0
67.01889	0.7
69.19241	2.1
71.01380	12.7
72.99274	0.6
73.02936	1.0
81.03458	0.7
83.01382	1.4
85.02952	3.4
87.00874	2.1
89.01926	0.6
89.02444	8.5
93.03449	1.4
95.01391	3.5
95.05011	0.4
96.02184	0.6
97.02923	1.9
98.21852	0.8
99.00848	0.7
101.02449	7.0
106.04250	13.0
107.05067	0.4
108.02158	0.5
109.02939	3.0
109.06554	0.4
111.00846	0.5
111.04482	1.0
113.02440	3.7
116.63654	0.4
119.03519	2.8
122.03746	3.8
125.09703	1.6
133.10191	2.4
134.03745	6.4
135.08174	5.8
136.05296	0.8
137.02446	1.9
137.06096	5.6
137.09721	4.2
143.03505	0.4
148.05299	2.4
149.09718	17.0
150.09959	0.9
151.11308	2.4
153.09213	7.8
177.09203	70.6
178.09563	3.3
179.10765	49.4
180.11124	3.0
193.08630	2.6
194.09372	0.8
195.10251	79.6
196.10579	3.7
197.11790	0.5
209.10144	0.6
219.10197	0.6
237.11317	0.6
248.89645	0.4
249.11269	0.5
253.14412	0.9
267.12247	0.4
269.06821	0.5
339.14804	0.6
357.15521	100.0
358.15851	8.1
374.77887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.9
57.25505	1.3
58.00597	2.2
59.01382	13.0
67.24994	1.3
69.03452	3.2
69.24475	7.3
71.01378	9.7
72.99287	2.6
73.02946	11.2
74.99871	1.1
75.00871	19.1
81.03449	9.0
83.01384	1.3
83.05025	52.7
84.05350	1.7
85.02941	3.8
85.06590	4.0
87.00864	2.8
89.02458	2.8
93.03436	1.8
95.05034	4.5
97.02915	1.4
97.06577	6.7
98.21883	2.9
99.00881	46.5
99.01529	2.5
101.02410	1.6
101.06080	12.4
109.06608	2.8
111.00848	6.4
111.04504	3.3
112.98798	6.8
113.02428	5.0
113.06089	12.8
115.07650	2.3
123.04533	5.6
123.08144	1.5
124.01677	1.7
125.02368	1.2
125.06066	3.1
125.09717	1.6
127.03995	2.3
127.07668	3.6
129.01898	1.6
129.05556	2.2
131.03494	2.3
135.08160	3.4
137.06067	2.8
138.03198	1.8
139.07611	2.5
141.05585	23.1
141.09210	1.9
143.07124	1.7
145.05069	31.5
146.05431	1.3
149.06076	1.9
151.07645	1.9
153.05588	21.1
153.09209	5.6
155.07100	2.7
157.08694	3.5
159.06633	26.0
161.04732	1.3
165.09204	2.0
167.07118	9.0
169.08702	2.6
171.06630	1.6
173.00902	2.4
179.07150	10.1
181.08716	1.4
187.06104	2.0
189.12856	1.3
193.08736	8.3
197.08203	18.5
199.09755	1.5
203.78825	1.3
205.12332	2.4
207.13852	1.4
209.08110	1.5
211.09726	7.6
215.10759	1.6
223.06128	3.2
233.11798	7.7
237.04198	1.6
241.07243	1.6
249.14786	1.5
259.08252	8.7
259.13382	1.3
277.10873	1.6
295.11990	1.5
303.12338	2.7
313.12952	13.2
321.13431	7.1
323.16348	1.3
339.14407	4.7
357.15506	100.0
358.15964	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	357.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78281	3.1
78.01098	20.0
80.02718	3.5
87.00876	5.7
98.21875	8.2
116.66714	4.0
121.02926	4.3
125.99575	5.5
133.47079	3.0
137.99608	17.1
139.00380	8.9
150.56470	3.1
152.01038	4.4
179.18112	6.0
192.95793	3.8
195.17511	62.9
196.17880	5.2
219.17511	65.8
220.17836	6.0
225.18588	4.3
251.16516	41.9
252.17000	4.4
279.15997	87.9
280.16302	6.9
281.14542	6.4
281.17557	100.0
282.18015	6.0
297.17151	7.2
307.15494	80.5
308.15836	10.4
313.15634	4.2
325.16516	4.3
332.15527	3.5
339.18005	48.7
340.18301	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91845	0.4
55.01869	0.7
57.03432	0.6
59.01377	100.0
60.01713	0.8
69.33182	1.8
69.33533	0.7
71.01382	7.9
71.34790	0.4
72.32242	0.4
73.02941	2.1
83.01399	0.9
85.00571	0.3
85.02944	3.4
89.02464	1.2
95.01382	0.6
99.00871	0.9
101.02438	4.1
113.02448	2.3
119.03517	0.8
143.03438	0.5
159.03020	0.6
161.04552	3.5
169.09264	0.4
217.38910	0.4
315.18167	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67393	0.8
59.01376	100.0
60.72837	0.7
71.01383	6.4
71.45759	0.8
73.02929	2.0
79.63766	0.7
80.55202	1.0
81.49374	0.8
83.01396	1.4
85.02948	2.7
89.02455	1.4
101.02466	4.1
113.02451	3.3
138.17702	0.8
159.02917	0.8
161.04576	3.8
315.18027	5.2
320.92126	1.0
326.13922	1.0
344.20715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.63816	1.0
69.50666	3.5
69.51031	1.9
71.01382	5.7
73.02943	1.6
85.02945	2.5
101.02446	5.2
104.63429	1.0
113.02458	1.7
115.93207	1.0
137.19646	1.1
161.04567	3.4
254.15349	1.1
292.61426	1.0
315.18054	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2069
Annotation	4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dienyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
63.02390	1.1
65.00317	0.4
96.37061	0.1
105.03423	0.2
107.01383	0.5
108.18709	0.1
109.69096	0.1
115.37595	0.1
118.04268	0.2
121.02935	0.3
124.01661	0.2
125.02393	0.1
134.03726	0.3
136.01714	0.1
146.03728	0.2
148.01712	0.1
149.02429	0.5
151.00368	0.5
152.01129	0.5
161.02402	2.1
162.03148	0.4
176.01131	0.6
177.01930	0.3
189.01872	1.2
190.02701	28.1
191.03134	1.2
203.03487	19.3
204.04106	2.5
205.04536	0.2
215.07126	0.6
217.05046	7.0
218.05388	0.5
231.06586	1.3
232.07286	0.4
245.08177	0.8
247.20645	0.3
249.18576	0.3
259.09760	1.8
260.10223	0.4
260.65598	0.1
293.17572	0.4
313.14236	0.2
313.21875	0.2
315.16196	0.3
355.19077	0.3
357.20673	100.0
358.20996	11.1
371.77008	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	357.2068
Annotation	Corallidictyal D
Peak:m/z	Relative Intensity
55.76720	0.4
60.89445	0.4
69.51682	1.9
77.03963	20.7
78.04308	0.5
98.21956	1.0
103.32578	0.4
105.03454	42.2
106.03791	1.8
119.05025	8.0
121.06559	1.4
128.33478	0.4
133.06593	1.4
145.06557	1.3
147.08177	0.7
159.08110	1.3
283.20618	1.0
285.22229	36.5
286.22604	4.9
329.21198	69.5
330.21552	8.5
347.22186	3.3
357.20679	100.0
358.21024	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2433
Annotation	Akaol A
Peak:m/z	Relative Intensity
57.03442	1.7
59.01373	0.6
59.38675	0.4
61.98816	1.0
69.53743	1.9
81.03451	3.2
83.05016	0.6
83.69090	0.5
94.92509	0.6
97.06611	0.6
113.09728	5.3
121.02965	0.9
122.03743	4.3
123.00935	0.6
123.04541	2.5
124.89291	0.4
125.02497	0.5
135.04527	5.1
139.11295	1.4
149.06088	0.8
176.90025	0.6
176.95840	0.6
192.95824	2.4
193.88530	1.1
217.15952	3.5
231.13913	2.1
243.13890	3.1
243.90396	1.2
259.16986	14.8
260.17337	1.4
275.89374	0.8
339.23181	1.0
357.03723	5.3
357.24319	100.0
358.03992	0.6
358.24673	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	357.2434
Annotation	11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
54.27544	0.6
56.95729	0.6
57.86814	0.7
59.01341	1.0
61.98818	1.3
62.81161	0.6
70.96004	0.8
81.03452	2.8
84.02158	4.4
88.52985	0.6
95.05014	0.6
111.08154	1.5
121.02966	1.6
122.03735	5.5
123.04552	1.6
130.67555	0.7
135.04524	4.9
149.06094	1.8
192.95818	2.1
195.17523	1.5
217.15964	1.2
219.17496	1.9
225.18608	3.6
233.15662	1.0
243.13805	0.8
245.15508	1.1
259.16995	19.1
260.17780	7.0
261.18448	1.3
269.15567	1.3
287.16501	9.8
288.17133	2.4
292.16855	1.4
303.16110	1.1
319.82419	0.7
320.16293	3.6
329.25125	1.0
339.23346	10.7
340.23700	0.9
357.24335	100.0
358.24680	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	357.2799
Annotation	Bufanolide
Peak:m/z	Relative Intensity
55.01887	4.7
70.12881	1.5
70.13206	1.2
88.79806	0.7
95.05040	1.7
121.02954	1.0
136.05299	2.5
137.06036	1.2
149.06117	4.8
154.40286	0.7
163.07626	1.7
167.35495	0.8
299.00406	1.0
301.25336	1.2
357.27969	100.0
358.28394	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	358.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53279	0.4
69.33784	0.4
70.10915	0.7
72.24940	0.4
93.86634	0.4
95.01341	0.4
96.02193	2.9
96.27534	0.4
111.00871	0.7
123.00104	0.4
123.00869	2.1
124.01662	7.4
151.00317	0.9
152.01157	8.9
165.01959	1.0
166.02690	2.2
184.00111	0.8
189.26753	0.4
265.18079	6.8
266.18549	0.7
293.17584	100.0
294.17917	8.0
303.23358	1.3
315.15741	2.3
338.85742	0.4
358.16428	6.7
358.24020	0.7
359.16403	0.4
359.22235	0.5
379.53799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64737	26.7
57.76304	22.4
69.59212	100.0
69.59560	36.7
70.82149	24.5
95.84174	24.8
118.30092	28.1
157.28305	23.7
161.57507	21.5
345.18652	25.8
358.18637	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52304	9.4
59.01376	100.0
60.01701	12.0
60.54239	11.4
68.39717	10.2
69.08694	43.4
69.09097	20.2
98.21787	18.0
118.04734	10.8
145.81819	11.3
171.10268	21.2
172.10629	12.8
201.02429	10.6
217.00247	20.2
272.19833	12.5
297.17084	27.6
314.10226	16.2
334.78864	10.7
358.23230	34.5
359.28119	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	358.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20647	3.2
67.47113	3.0
67.95538	3.0
69.86243	6.0
69.86606	6.7
72.16502	2.8
98.21912	3.9
118.64970	3.2
121.10186	5.6
130.70285	3.5
141.99962	3.9
207.09909	4.4
236.07735	4.6
246.06247	3.3
247.13083	3.4
278.11273	21.5
279.12000	3.4
297.18314	8.6
315.19397	100.0
316.19702	6.3
356.10266	3.8
358.19879	88.3
359.19275	12.4
360.18726	3.3
382.35712	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	358.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85753	2.4
58.10554	2.2
61.60250	2.3
61.98829	100.0
67.67643	2.3
71.43585	2.4
129.82442	2.6
151.66743	2.6
169.22006	2.7
256.02805	3.1
275.99496	2.6
294.35034	2.7
304.74301	2.9
359.22162	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	359.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32741	0.5
59.01378	93.9
60.01715	1.4
64.29573	0.4
65.48688	0.4
67.77695	0.4
69.14600	0.9
69.15012	1.7
70.91945	0.5
72.88110	0.4
98.21893	1.0
115.94930	0.4
123.29706	0.4
132.98192	2.0
141.47775	0.4
149.46297	0.4
157.03551	2.3
159.01505	1.1
174.99243	28.0
175.99606	0.7
201.02541	23.9
202.02658	2.4
217.00294	100.0
218.00586	3.0
232.37930	0.5
256.92944	0.5
274.99576	1.1
317.00500	2.2
359.01581	7.4
360.01688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	84.2
59.63409	0.4
60.01709	0.8
61.98849	1.0
63.93053	0.4
69.99867	0.9
70.00217	0.8
71.01376	1.7
80.33370	0.4
81.03470	0.6
89.02426	1.1
95.01403	0.6
101.02418	0.8
107.05034	0.5
113.02435	0.7
119.03488	0.6
123.00893	7.5
125.02480	0.4
130.08743	1.2
131.08261	0.5
132.98207	1.1
137.02455	3.4
138.03238	7.4
143.03436	0.6
152.37744	0.5
153.05565	5.3
154.65306	0.4
157.03551	2.2
159.01480	0.9
166.99883	1.9
174.99245	23.1
175.99673	0.5
180.06708	0.7
182.02223	5.8
190.58754	0.5
196.03833	0.5
197.04543	17.6
198.04852	1.0
200.57510	0.4
201.02547	24.3
202.02727	1.8
211.02502	0.7
217.00288	100.0
218.00587	3.3
218.98218	0.5
239.05528	0.9
298.99213	0.5
359.01547	4.9
359.09201	3.2
359.15295	0.5
360.02139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
56.43420	1.1
58.00581	1.5
59.01378	87.3
63.46589	1.3
69.60393	3.8
71.01380	38.9
72.99313	1.3
73.02947	1.7
73.94845	1.1
83.01385	2.1
84.53085	1.3
85.02930	7.3
89.02441	35.2
95.00797	1.3
95.01376	3.9
96.95995	2.4
98.22607	2.0
101.02438	20.4
109.02937	2.5
113.02453	16.2
119.03481	9.7
121.02953	7.6
123.00877	17.0
123.04473	1.5
137.02448	7.5
138.03224	13.2
139.00365	2.7
139.03960	2.5
153.05556	15.8
155.03490	1.6
161.04541	2.3
165.01938	2.5
166.99870	11.1
181.01430	5.5
182.02208	33.1
182.05885	1.7
183.02759	2.2
195.06607	3.2
196.03748	5.4
197.04553	99.7
197.08232	4.4
198.04958	3.9
211.06177	10.7
224.03302	4.0
239.05624	35.0
257.52011	1.2
269.06677	4.1
299.04510	2.2
299.07651	6.7
299.10580	1.4
344.07419	2.5
359.09802	100.0
359.13071	4.8
360.10184	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	359.0982
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
54.15141	0.5
59.01368	1.1
61.98820	1.8
71.01373	1.0
85.02934	0.5
95.01380	2.9
97.82286	0.5
102.20732	0.4
114.50181	0.5
123.00883	41.7
124.01170	0.7
125.06117	0.5
135.04510	1.7
137.02451	1.1
138.03223	45.7
139.03578	1.4
149.06056	0.8
150.06474	0.9
151.07671	1.4
152.07996	1.2
153.05566	16.4
154.05957	0.4
166.99846	12.4
175.07620	0.8
175.64914	0.5
182.02199	36.1
183.02512	1.0
191.12880	0.4
195.06560	1.1
197.04541	100.0
198.04881	4.7
239.05643	0.9
239.08221	1.0
359.09586	3.9
376.11816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24558	0.4
67.01898	0.5
68.99795	0.4
69.27319	2.1
71.01399	0.4
77.51138	0.4
81.76037	0.3
83.01385	0.5
85.19645	0.3
95.01379	3.2
95.60981	0.4
111.00893	0.9
117.38444	0.4
123.00880	29.1
124.01211	0.8
127.00364	1.3
136.98798	0.9
138.03218	15.9
139.00322	0.6
153.05562	12.9
154.02556	0.5
154.05920	0.5
166.99846	18.1
168.00243	0.8
181.01408	0.5
182.02199	54.2
183.02609	2.0
197.04538	100.0
198.04886	4.0
309.75162	0.4
330.42957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98523	0.8
57.03448	1.3
59.01377	23.7
69.83179	2.5
71.01380	2.1
76.24418	0.9
81.26730	0.9
83.05032	1.0
85.02972	1.3
85.06589	6.4
89.02457	1.4
97.06573	1.1
99.08140	5.0
101.02428	1.6
109.02946	2.7
111.00877	2.1
111.08161	1.3
113.02427	1.1
113.09702	5.4
141.09171	1.3
151.04025	1.4
159.04510	1.7
167.10785	1.3
169.15956	4.4
179.14397	1.3
181.15952	1.2
186.46294	0.9
197.15463	4.4
199.17007	2.0
200.87314	0.9
215.16547	2.2
223.13463	2.5
225.14961	3.6
229.82698	0.9
241.04974	1.6
241.14519	1.3
243.16000	43.6
244.16309	2.1
255.06657	1.6
265.11801	0.9
269.08307	1.5
285.13428	2.5
287.14993	100.0
288.15250	7.1
313.10651	1.3
315.14337	1.3
341.11688	0.9
344.12631	3.4
359.08035	1.3
359.14935	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	359.1498
Annotation	Muricarpone A
Peak:m/z	Relative Intensity
57.99492	0.8
58.73126	0.8
59.01383	4.5
69.97796	2.3
71.01363	2.4
81.03441	0.9
92.37922	0.8
101.02451	1.5
107.04986	1.0
108.02192	1.6
121.02921	4.4
121.06546	2.1
122.03739	1.6
123.04506	3.5
135.04509	19.4
137.09589	0.9
143.07175	1.1
147.04497	1.5
149.06061	9.6
150.03235	5.9
159.04494	1.0
163.03992	1.5
165.05501	3.7
169.07739	1.5
175.03990	8.8
177.05527	0.9
179.05653	1.5
179.07126	23.8
180.07910	59.2
181.08275	4.2
182.05843	2.1
192.07968	1.3
193.04976	1.3
194.05769	4.3
194.09486	4.0
195.10258	6.0
203.03528	6.2
208.07382	13.7
212.06870	4.1
218.05855	6.5
222.08937	1.3
223.09735	100.0
224.10039	6.6
226.08324	4.9
235.09589	0.9
255.10123	1.3
262.04855	12.7
269.08206	10.3
270.08536	1.2
280.79193	1.0
281.08096	1.6
283.09726	8.3
295.09720	1.5
299.06265	1.1
299.09351	7.3
300.09924	1.4
311.09189	12.1
314.11639	8.8
315.11993	2.0
316.12802	1.6
325.11050	0.9
326.11523	9.3
327.11896	1.4
329.10239	1.1
329.13962	16.6
330.14105	1.0
331.15295	3.9
341.13959	13.6
342.14182	1.2
355.68747	1.0
359.14993	13.2
359.19919	1.9
359.24307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1499
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
59.01389	2.2
69.30458	1.6
69.30882	0.8
71.01389	0.7
88.50442	0.4
93.03442	1.0
108.02152	2.4
108.08198	1.5
109.02946	31.8
109.08537	1.0
110.03310	0.6
123.04526	2.4
125.02453	0.8
135.04494	0.7
147.04494	0.6
152.07231	0.8
153.07503	0.7
158.03699	1.0
159.04512	12.5
160.04829	0.7
161.06059	1.4
171.04529	1.2
173.06056	8.9
177.05518	0.6
185.06055	1.2
188.04805	0.9
189.05565	8.9
190.06274	1.4
191.07135	4.9
195.04445	0.6
196.06265	0.5
197.06268	1.7
199.04187	0.6
201.05646	0.8
203.07104	3.5
205.08600	1.3
211.13361	0.6
212.04730	1.9
213.05577	3.1
223.04034	0.6
223.09822	0.6
224.04810	1.3
225.05576	2.0
225.09091	0.5
227.07095	0.6
228.04268	0.5
237.05595	0.8
239.07195	1.3
240.04242	6.8
241.05042	20.8
241.14427	1.5
242.05418	1.5
243.06996	0.6
251.07175	1.3
252.07555	0.6
253.05084	0.5
253.08580	0.7
255.06613	14.7
256.07166	1.9
265.08682	1.4
267.06592	4.6
268.07413	1.0
269.08185	4.3
271.09705	1.1
273.02948	0.6
281.08197	1.9
282.08774	0.5
283.09808	1.6
295.09702	1.3
296.10275	0.9
298.08453	1.5
299.09219	15.2
300.09634	2.1
311.09274	0.6
313.10791	18.5
314.11197	1.9
325.11023	0.5
327.12253	1.1
328.09320	1.0
329.10269	9.5
329.13922	0.8
330.10733	1.1
343.11810	4.2
344.12613	40.9
345.12878	3.7
359.14972	100.0
360.15320	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	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56717	0.4
55.01880	1.5
57.03439	1.7
58.00608	0.4
59.01377	52.8
60.01717	0.6
66.41969	0.3
69.90855	0.8
70.82368	0.3
71.01379	26.4
72.99309	1.0
73.02944	4.6
75.00833	0.4
83.01376	3.6
83.04982	0.3
85.02947	9.0
86.00070	0.5
87.00877	1.4
89.02441	21.5
90.02773	0.5
95.01385	2.1
99.00877	1.6
101.02441	20.7
102.02802	0.6
111.00899	3.4
113.02442	10.4
119.02643	0.6
119.03500	10.9
128.37558	0.4
131.03510	0.7
142.20634	0.3
143.03526	0.7
149.04572	0.5
161.04572	0.9
176.11345	0.3
179.05623	0.8
179.10744	3.4
193.08696	0.6
197.11823	34.0
198.12212	1.9
267.12195	0.4
315.14490	1.5
321.15512	0.8
348.22232	0.3
359.17090	100.0
360.17426	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.9
60.22356	0.5
60.33235	0.6
61.98771	0.6
69.03452	0.6
71.01383	3.2
71.40420	0.8
73.02949	6.8
77.27254	0.6
83.01398	1.1
85.02979	0.9
101.02406	2.8
113.02433	2.1
152.26569	0.6
155.10774	100.0
156.11111	3.7
169.12378	1.7
174.99284	0.7
194.92738	0.7
194.95573	0.7
197.11832	2.4
209.11852	2.9
217.00276	2.6
227.12732	1.0
315.21619	0.7
363.62799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28624	0.3
54.28752	0.3
55.01866	1.6
57.03426	1.4
59.01376	17.5
60.44936	0.3
69.40289	1.6
71.01009	0.6
71.01378	9.7
72.99285	0.6
73.02940	4.3
83.01392	2.9
85.02943	5.8
85.13761	0.3
86.00089	0.4
87.00873	3.1
89.02437	3.5
95.01398	0.7
99.00884	0.8
101.02428	9.2
111.00875	0.6
113.02451	3.5
119.03489	1.1
135.11830	2.4
153.12865	6.8
161.04604	0.4
179.10736	0.9
197.11819	12.5
198.12132	0.5
199.13405	0.4
279.08487	0.5
280.22131	0.4
281.40482	0.3
330.10379	0.4
348.26248	0.5
359.17078	100.0
360.12900	0.7
360.17444	10.2
360.21790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.5
57.03436	3.7
59.01377	47.5
69.69344	2.8
71.01381	46.2
71.58424	1.3
72.39574	1.3
72.99298	4.4
73.02950	19.3
81.03468	2.0
83.01383	12.9
83.05009	1.4
85.02953	24.4
87.00853	2.5
87.04508	2.0
88.08945	1.4
89.02434	9.0
91.28815	1.3
95.01374	5.3
98.22592	2.0
99.00865	5.8
99.04548	2.1
101.02441	37.5
106.05806	1.2
111.00850	1.8
112.10738	1.3
113.02458	20.6
118.98067	5.1
119.03483	4.0
122.06068	2.3
124.07616	2.1
125.02445	1.7
143.03522	1.5
146.06050	3.8
148.07709	2.6
150.09239	3.3
153.12892	1.9
159.02957	4.5
161.04565	8.9
171.10248	3.2
194.73105	1.5
194.83566	1.4
197.11774	2.7
207.72517	1.3
211.13469	2.0
215.11980	3.6
217.00299	3.8
239.12881	1.6
243.11411	6.5
271.14520	5.2
287.14038	1.8
315.13486	23.0
315.17813	3.2
316.13681	3.5
359.12280	13.6
359.17047	100.0
359.20773	4.3
360.13214	2.3
360.17230	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	359.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
63.32267	0.7
69.19516	0.6
69.31689	1.3
69.32078	1.9
72.25054	0.7
73.02929	0.8
75.00862	1.6
80.02692	1.5
81.03473	1.5
83.05021	1.3
86.38803	0.7
107.21718	0.7
123.04503	2.4
130.99840	3.1
145.01375	0.7
178.55971	0.6
193.16060	4.4
194.95573	0.7
195.17538	100.0
196.17888	6.5
205.44984	0.7
223.17064	1.3
227.20158	25.0
228.20546	1.5
229.78656	0.7
239.16513	3.7
241.18085	1.4
251.16423	1.6
255.19662	28.0
256.19971	1.8
283.19150	31.1
284.19510	2.8
299.18585	1.2
313.20178	0.7
331.22675	1.3
341.19693	4.5
342.20013	0.7
359.18546	1.2
359.22165	2.1
359.26044	3.7
360.22559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2224
Annotation	yanuthone X2
Peak:m/z	Relative Intensity
61.98805	1.6
72.43779	1.0
79.05530	2.9
81.03445	4.2
95.05022	2.6
97.95186	1.3
108.02184	1.9
111.04463	1.3
121.02983	1.2
122.03728	7.4
123.04529	19.9
124.01657	1.5
124.64721	1.3
125.02437	1.2
132.78575	1.2
136.05357	2.7
137.02467	1.4
137.06081	11.0
140.08450	1.4
151.03984	2.3
152.01125	2.0
153.01567	1.9
171.61821	1.1
191.03464	2.2
244.76796	1.2
266.18353	2.3
275.20123	4.0
277.21817	2.7
293.17651	7.4
294.17902	37.8
295.18057	2.5
301.18088	3.0
303.23230	8.1
304.23639	3.6
315.23254	3.5
318.21848	4.9
318.24939	2.0
321.20673	1.4
331.22778	8.1
341.21271	2.8
359.22198	100.0
359.25909	7.7
360.21976	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	359.2226
Annotation	Chimonanthidine
Peak:m/z	Relative Intensity
54.69255	0.4
59.01367	1.1
61.98826	1.0
64.45523	0.3
69.75319	1.3
76.26050	0.4
81.03471	1.0
95.05016	0.4
107.36462	0.4
108.02153	1.4
109.02972	0.5
121.02932	0.8
122.03735	86.3
123.04115	1.7
123.04487	1.7
125.02408	0.8
126.03213	0.7
132.45612	0.4
137.02475	1.6
137.06078	66.7
138.06432	3.1
149.02435	0.4
151.04013	1.1
152.91722	0.5
154.02734	1.1
163.03912	0.4
192.57559	0.4
194.92795	1.3
194.95616	0.9
195.93376	0.4
203.64581	0.3
216.60609	0.4
217.00224	0.9
244.72885	0.4
276.93076	0.8
359.22238	100.0
360.22589	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	359.2221
Annotation	Sugikurojin E
Peak:m/z	Relative Intensity
55.01873	4.3
57.03441	9.6
59.01373	3.3
61.98819	3.1
73.80241	1.8
75.02661	1.5
81.03452	3.2
95.04994	2.1
122.03762	3.5
135.04550	4.3
136.05269	2.9
149.06076	3.0
163.07616	1.6
164.78786	1.6
170.10785	1.7
186.92715	1.5
194.92819	2.1
203.18033	2.1
219.17561	1.8
231.17601	1.8
247.17027	2.8
259.16946	3.4
273.18597	33.6
274.18982	3.5
275.17007	1.7
317.21179	100.0
318.21436	9.9
323.09024	2.8
341.24829	33.6
342.25244	4.4
359.04019	2.0
359.14975	3.7
359.18750	1.7
359.22192	41.8
359.26004	17.1
360.22491	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	359.2226
Annotation	4alpha-Acetyldictyodial
Peak:m/z	Relative Intensity
70.03524	0.7
89.44327	0.2
98.22537	0.5
110.43034	0.2
113.07176	0.2
122.03755	0.3
123.04508	0.9
135.04485	1.3
136.05293	9.0
137.06087	1.4
145.55463	0.3
147.04494	0.3
149.02344	0.3
149.06041	0.3
151.03960	0.4
152.04729	0.4
161.06039	0.4
163.04007	0.9
164.04790	4.7
165.05576	1.5
166.06351	0.5
167.03517	0.7
175.03951	1.0
176.04735	0.6
177.02028	0.3
177.05569	2.1
178.02719	0.4
178.06380	2.9
179.03456	0.4
191.03513	2.0
191.07092	1.3
192.04279	4.0
192.07924	0.6
195.02924	0.4
204.04262	0.6
205.05043	2.5
206.05797	0.5
206.09474	0.5
217.08730	0.6
219.06668	1.0
233.11865	0.5
234.12599	1.0
262.12225	0.3
287.20105	0.4
288.17371	0.5
289.21765	0.7
294.18073	0.4
301.18167	0.5
303.23322	1.4
315.19763	0.4
315.23264	1.2
316.20392	1.6
317.21152	0.9
331.22754	26.8
332.23087	3.1
358.21722	0.3
359.22250	100.0
360.22610	10.7
360.26175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2228
Annotation	4alpha-Acetyldictyodial
Peak:m/z	Relative Intensity
52.63571	1.6
57.03436	1.7
59.01376	2.7
61.98816	7.4
69.27802	5.4
75.85505	1.8
79.05522	3.7
81.03448	31.1
83.05057	2.2
95.04975	2.1
96.95998	1.6
107.05021	3.6
122.03720	3.7
123.04517	88.5
124.04821	3.2
151.03986	11.2
175.03864	2.1
184.87917	1.9
194.92784	3.2
303.23264	17.1
304.23672	2.1
315.23285	4.7
331.22769	32.2
332.22943	2.7
336.66043	1.8
359.22141	100.0
359.25964	44.9
360.22461	12.8
360.26291	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	359.259
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
56.00551	0.4
59.01373	0.7
60.54264	0.3
63.38107	0.4
65.00327	0.8
69.85700	0.3
79.05528	0.5
81.03454	44.8
82.03812	0.9
122.03739	0.7
123.04522	100.0
124.04849	3.3
165.69017	0.3
210.54422	0.4
277.21750	1.5
317.24976	0.4
331.22684	1.5
359.22318	4.7
359.25909	77.9
360.22015	0.7
360.26218	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	359.259
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
55.93581	1.4
56.31339	1.4
56.42411	1.5
57.03423	2.0
59.01369	6.0
61.98838	7.9
81.03468	3.4
89.35394	1.4
105.83302	1.8
116.92850	2.6
119.94734	1.8
122.03721	3.1
124.18373	1.4
135.04512	3.8
136.07109	1.4
140.82619	1.5
160.16353	1.6
194.92853	4.9
194.95569	3.8
217.00337	2.9
329.24863	7.0
341.24750	9.3
359.15289	6.8
359.25912	100.0
360.26147	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	359.2591
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
57.03434	1.0
59.01340	0.5
70.50346	0.6
81.03451	3.3
83.35535	0.4
97.06585	0.4
113.09719	3.6
122.03741	4.0
123.04549	1.6
125.14471	0.3
135.04521	4.2
136.05331	0.3
148.38257	0.3
149.06070	1.1
191.10829	0.3
217.15970	1.5
219.17517	5.4
233.15553	0.9
245.15459	2.1
255.78340	0.3
259.17014	20.9
260.17407	1.5
261.18536	0.4
299.23740	0.4
317.21060	0.4
317.24835	0.5
341.24826	18.4
342.25214	2.4
342.29083	0.4
359.25891	100.0
360.26257	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	359.259
Annotation	3beta-Hydroxy-5alpha-pregnan-20-one acetate
Peak:m/z	Relative Intensity
59.01369	0.7
66.27938	0.5
69.22783	0.5
69.72640	0.5
70.69971	0.8
81.03446	2.3
85.45342	0.5
98.61418	0.6
114.65687	0.5
122.03751	1.4
122.35383	0.6
135.04541	0.8
145.76357	0.5
275.23694	6.0
317.24832	100.0
318.25208	9.5
359.25894	55.8
360.26239	6.1
368.64999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2953
Annotation	Nor-Dolichoic acid-[13-22]
Peak:m/z	Relative Intensity
52.94454	0.3
54.11113	0.3
55.01878	7.4
70.80853	0.5
83.56419	0.3
95.05026	2.9
122.03709	0.6
128.87527	0.4
136.05307	2.4
149.06046	2.4
163.07661	0.6
191.10817	0.5
202.12317	0.3
205.12352	0.4
219.13925	0.7
239.58569	0.3
245.57619	0.4
261.18674	0.4
303.26920	2.2
315.30615	0.5
327.94876	0.3
331.26358	3.2
357.27908	0.6
359.29529	100.0
360.29874	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	360.057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91242	0.5
59.01368	1.1
61.02967	0.5
61.98828	100.0
70.18078	0.7
78.40388	0.5
93.75364	0.5
97.20217	0.4
98.21920	0.8
101.70074	0.4
115.34755	0.5
123.00837	0.5
130.81769	0.4
139.68246	0.5
152.22296	0.4
165.51334	0.5
182.02386	0.5
183.02525	0.7
184.50922	0.5
189.24652	0.4
197.04572	1.1
198.04909	0.9
212.02957	0.5
213.45650	0.4
254.64705	0.5
304.55103	0.5
360.10254	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	360.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04057	10.8
59.01389	100.0
71.01379	16.0
83.15045	11.8
101.02406	12.7
132.74870	14.5
155.36406	12.0
170.65018	13.1
226.11238	10.7
241.68517	12.9
323.65656	14.1
360.15625	17.3
381.38956	12.2
381.79068	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	360.215
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81257	2.6
69.51431	9.4
96.00539	2.5
98.21936	5.7
99.92594	2.6
100.20775	3.1
123.08055	3.0
137.21057	2.6
168.78264	2.5
190.64384	2.7
192.81874	2.8
286.66937	2.5
301.23553	3.5
317.17273	5.2
317.20963	100.0
318.21313	8.6
360.21448	88.8
361.19870	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	360.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95192	4.1
59.01377	8.2
70.52469	5.8
70.52792	4.8
81.03461	28.9
99.92576	6.4
108.02148	5.9
122.03735	4.8
123.03625	5.0
123.04525	100.0
127.71936	3.3
137.57242	3.4
151.03992	11.1
170.01210	3.7
177.55388	4.5
194.17336	3.7
216.76126	3.9
277.21719	6.7
278.22116	25.3
283.80951	4.0
284.62704	3.8
293.17627	7.0
317.21262	45.8
318.21454	10.7
319.19119	26.3
360.22476	30.0
361.23709	13.2
361.27496	24.0
380.62491	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	360.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46642	17.2
61.98813	44.1
74.35886	16.6
86.85466	16.1
122.03732	19.4
132.77563	17.1
214.27843	20.0
248.17210	42.7
293.20956	21.2
317.21198	100.0
360.07504	28.4
360.25870	72.1
361.23764	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83131	4.3
54.85759	4.2
59.01384	7.2
61.39230	4.1
61.98824	12.7
64.47692	4.3
70.45599	9.4
71.89735	4.5
130.36488	4.6
167.68495	5.0
195.93266	8.5
202.98692	10.9
217.00377	7.5
317.21182	100.0
318.21457	11.4
343.23059	5.9
361.23813	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	360.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.5
61.98828	17.3
69.48389	5.9
81.03452	20.0
122.03732	26.4
137.06082	100.0
174.99329	6.5
195.93390	5.8
202.98817	10.0
223.67523	5.2
300.16608	23.1
317.21167	99.1
318.21475	6.3
361.23853	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77393	13.7
52.93869	14.4
58.40365	13.4
61.44423	14.2
69.68393	15.0
69.69737	30.8
77.76148	15.2
91.42015	13.6
126.58921	15.0
169.95506	13.7
317.24844	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	361.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
62.45493	0.5
63.02393	8.9
65.00320	15.9
69.23802	2.0
70.94474	0.5
71.01382	1.6
72.99313	0.6
75.00858	0.8
81.03442	1.1
81.03876	0.5
83.01388	13.5
89.02480	0.5
93.03476	0.6
95.01400	0.5
97.02934	0.5
97.60486	0.4
101.02420	1.0
101.87527	0.5
107.01385	25.2
108.01726	1.0
108.99376	0.7
109.02988	0.6
113.02411	0.9
121.02980	0.8
123.00909	0.6
125.02453	4.2
128.19817	0.5
135.04440	0.5
137.02455	1.2
141.98811	0.4
149.02492	1.2
151.00368	100.0
152.00703	4.1
153.01942	1.7
163.95239	0.4
165.01994	1.0
169.01422	14.6
169.12347	5.2
171.10313	0.6
177.02051	0.7
193.01411	1.7
199.00816	0.7
201.15585	0.5
236.07985	0.5
245.11847	0.6
267.07346	0.5
313.05649	55.7
314.05930	4.0
361.18356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
69.66039	1.6
78.33160	0.6
79.95761	1.0
81.03462	1.4
96.96005	10.2
98.21773	0.5
119.08644	0.6
121.06622	0.6
121.75450	0.5
123.04505	2.0
133.10194	1.0
135.08162	0.9
146.79169	0.5
147.08144	0.7
149.09731	1.7
151.11276	4.3
151.60831	0.5
157.10176	0.5
160.97366	0.5
173.06255	0.7
175.07664	0.6
175.11267	9.0
177.09180	10.9
178.09557	0.7
191.10733	1.1
193.12328	0.9
201.09212	4.1
217.08722	1.7
219.10249	100.0
220.10611	6.1
235.09689	1.1
237.11307	64.1
238.11708	4.3
245.08142	1.4
263.09219	9.7
263.11856	0.7
281.10287	30.4
282.10715	1.9
301.82184	0.5
317.06985	2.1
343.04904	18.8
344.05292	1.3
357.63983	0.6
361.05957	15.8
362.06064	1.2
381.89032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56506	0.5
53.24263	0.5
59.01384	1.2
67.01838	0.5
80.95722	0.5
81.03449	0.7
88.67912	0.5
96.96012	10.9
97.06554	0.6
101.57188	0.6
101.61232	0.5
119.08656	1.0
119.52348	0.6
121.06590	1.1
122.03698	0.6
123.04517	3.0
128.60103	0.5
133.10240	1.0
135.04541	1.0
135.08125	1.0
147.08080	0.8
149.09691	1.9
151.11276	3.2
157.10269	0.7
163.07664	1.1
173.06062	0.9
173.09703	0.7
175.11266	11.0
177.09218	9.6
179.30472	0.6
193.12347	1.4
201.09181	4.4
217.08699	1.5
219.10249	100.0
220.10579	7.3
235.09737	1.5
237.11314	64.4
238.11661	4.3
245.08160	1.6
251.74023	0.5
263.09225	10.3
281.10291	35.4
282.10556	1.9
284.60428	0.5
317.07010	2.3
343.04910	21.8
344.05267	1.9
361.05948	19.0
361.10577	0.6
362.06259	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	361.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.56486	0.4
57.03446	4.5
59.01377	8.4
61.98822	0.7
65.03959	1.1
71.01375	2.3
71.05023	0.5
71.44181	0.6
79.95733	1.2
81.03470	0.8
83.05018	4.0
85.02949	1.1
85.83679	0.4
87.00867	6.3
89.02448	0.9
92.17671	0.4
93.03457	0.5
95.05039	1.4
96.02140	0.5
96.96008	56.5
97.02962	0.6
99.04523	0.5
101.02429	0.5
105.08276	0.4
108.91744	0.5
109.37783	0.4
111.00883	4.7
111.04562	2.3
111.08152	1.6
117.03520	0.6
119.03473	0.5
119.08690	0.6
121.06589	2.0
123.04527	0.7
123.07255	0.8
123.08153	13.7
124.08460	0.5
129.06996	0.5
135.08124	0.6
137.09711	1.7
138.05600	1.0
138.06822	0.5
139.05972	0.9
139.07637	2.1
145.03000	2.2
145.10187	2.5
151.07649	1.3
153.09187	1.4
169.08800	1.0
169.10132	1.1
171.11798	16.4
172.12141	0.8
175.11295	0.7
181.08627	0.9
189.12856	5.0
197.99176	2.1
198.99974	5.4
201.12814	5.0
207.13890	3.0
219.13937	1.5
237.14949	14.4
238.15271	0.8
241.10864	1.0
255.40506	0.5
281.13928	21.2
281.17056	1.1
282.14365	1.1
325.09305	0.6
329.12308	2.5
361.09604	100.0
362.06161	0.7
362.09991	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	361.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92046	1.8
54.92192	1.7
59.01378	66.5
69.33824	8.9
69.95180	1.7
71.01381	22.6
73.02956	3.0
79.05503	2.9
92.05064	4.1
95.05014	6.2
97.06586	2.1
101.02447	1.9
106.06628	98.1
107.03745	3.4
107.06981	3.7
112.04043	5.0
118.06635	2.0
120.04527	2.5
120.08151	2.4
122.06122	71.6
123.03244	2.5
123.04515	2.4
123.06508	3.0
124.04053	10.5
124.07723	2.6
134.06081	9.1
134.84538	1.9
138.05611	7.1
141.05589	10.0
142.06612	5.6
144.08124	2.6
148.04025	6.5
148.07674	2.4
149.24678	1.8
150.05594	35.7
151.05971	2.0
156.08168	15.5
158.09740	7.7
160.03992	5.1
161.04813	11.8
166.05070	5.5
170.09755	25.4
184.06183	10.3
184.11365	4.8
186.09340	4.7
186.12883	100.0
187.06380	71.6
187.13162	7.1
188.06699	2.6
194.04585	19.5
196.07663	3.7
197.08379	6.3
200.07109	4.2
201.07925	21.6
202.08723	64.6
202.12383	4.1
203.09004	3.9
205.03767	25.1
212.10863	27.5
214.08714	46.5
215.09401	7.2
225.06917	2.7
227.08212	7.6
228.10291	5.0
229.11168	2.6
229.13429	6.4
230.11858	63.7
230.56870	2.2
239.08269	7.7
240.09100	6.0
245.09326	10.6
255.11375	57.5
256.11850	3.3
259.08511	3.0
273.12448	5.6
274.10840	58.1
275.11295	4.7
299.10367	18.6
314.72314	2.1
317.11243	2.6
329.11395	20.8
343.09232	2.7
354.95413	2.1
361.10349	50.6
362.10605	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17121	1.4
52.47668	1.4
59.01378	44.4
69.89351	5.1
71.01379	11.9
72.50690	1.4
73.02939	2.5
85.02949	4.5
89.02406	1.5
95.01408	2.6
96.22968	1.5
99.00872	2.2
101.02425	10.7
113.02441	6.8
121.02992	2.8
123.00887	100.0
124.01720	10.7
137.02405	2.6
138.03224	84.4
139.04022	33.3
149.02385	2.7
151.04034	3.6
159.02972	4.7
161.04550	26.4
163.04004	1.6
163.90349	1.8
166.02701	2.8
170.31961	1.6
175.10602	1.6
181.05051	9.9
193.05046	2.4
241.06390	1.8
301.09302	47.1
302.09402	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	361.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43064	0.5
57.03444	0.7
59.01377	100.0
60.01727	1.3
61.98824	2.6
64.22034	0.5
65.24473	0.5
71.01383	3.7
72.99314	1.0
73.02949	1.0
74.32050	0.5
74.99108	0.6
85.02952	1.1
87.00856	0.5
89.02457	2.3
96.96005	7.2
99.92590	0.5
100.93385	0.8
101.02461	2.1
104.34695	0.5
113.02454	2.0
115.92080	1.1
116.92881	1.0
119.03522	1.2
119.05041	5.5
123.08249	0.5
129.49394	0.4
134.06194	1.6
135.03024	0.8
137.09726	0.6
138.03235	0.7
139.99428	1.7
140.07158	7.0
140.08131	0.5
155.01736	2.9
163.04013	8.7
174.99411	0.5
178.05101	2.4
181.08842	0.6
226.96472	0.7
315.14676	0.6
325.09586	1.1
331.02936	0.6
361.05957	2.2
361.09842	4.2
361.15103	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	361.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	54.3
69.25465	8.5
71.01369	3.9
72.99301	35.1
72.99693	2.4
75.00873	4.3
85.02963	3.0
87.00903	1.7
103.65714	1.4
111.04550	2.7
113.02433	3.2
119.05023	6.2
122.03710	2.0
124.72554	1.6
145.02936	4.1
152.93814	1.4
155.10785	2.5
165.05621	2.1
167.14424	1.7
179.07118	1.7
181.15955	1.8
183.13884	2.3
189.14262	1.5
197.15448	2.0
199.09741	3.2
205.83505	1.6
206.04489	6.7
211.17033	8.0
225.14983	5.2
227.12859	5.8
236.07927	3.9
243.16080	2.9
249.89977	1.6
255.15988	18.8
267.07220	2.8
287.14975	100.0
288.15320	6.4
299.15005	12.3
326.10214	3.7
343.13922	10.8
361.14822	12.4
361.22314	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	361.1502
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
55.01867	3.9
57.03440	5.0
59.01376	100.0
61.98821	1.6
69.03467	2.3
69.15165	6.4
69.15582	3.1
71.01378	64.8
72.01714	1.5
72.99298	1.7
73.02942	19.6
74.24245	1.4
75.00893	2.9
82.00544	1.3
82.06868	1.5
83.01382	7.5
83.05015	1.6
83.57848	1.5
85.02943	25.5
87.00890	3.8
89.02444	42.7
95.01397	4.2
96.96004	32.0
97.02957	1.8
99.00871	5.5
101.02444	56.9
104.83186	1.4
113.02447	35.7
113.03226	2.3
114.02838	1.4
115.92056	1.7
119.03499	16.1
119.05016	3.8
123.08181	1.8
125.02426	2.3
125.06086	1.6
129.01927	2.4
131.03488	1.9
137.09729	6.3
138.03156	1.6
139.03920	1.4
143.03450	3.8
149.04535	2.2
155.10794	1.6
159.02956	5.9
161.04558	37.5
163.03993	6.4
171.11682	1.9
179.05606	5.5
181.08672	4.9
199.09799	2.7
201.12889	1.9
249.74533	1.3
275.85257	1.3
281.13864	3.2
285.13522	3.1
317.16040	20.7
361.09695	28.4
361.14984	69.1
362.10651	1.6
362.15338	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
59.01357	4.5
59.02266	0.9
69.37440	5.1
71.01358	1.6
71.05019	9.9
72.99306	39.1
73.02934	2.0
83.04984	0.9
85.06570	2.9
98.00073	1.2
98.22647	1.9
103.11558	1.1
111.77260	1.0
112.09368	1.1
125.09632	1.3
127.11281	2.6
141.12856	1.3
155.10735	1.7
161.04736	1.3
169.15959	4.2
181.15953	4.4
189.04253	2.5
193.15932	3.1
197.15424	4.0
199.16991	4.0
211.17049	1.6
221.06860	1.3
225.14925	5.6
227.81219	1.3
237.14958	4.6
241.14322	1.4
243.15987	24.5
255.15977	8.6
256.16483	1.2
267.11417	1.1
281.13791	1.9
287.14999	100.0
288.15369	7.0
299.14944	21.5
303.84747	1.1
311.10089	1.8
343.13757	8.3
344.13522	1.2
361.15030	13.9
362.15073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86562	0.8
55.94144	0.8
57.03451	2.1
59.01375	2.9
62.93882	0.8
63.19633	0.8
70.62038	1.0
71.05007	1.8
72.99306	37.9
75.77553	0.7
75.85832	0.9
83.05024	1.3
84.08990	0.9
85.06593	3.0
97.06589	2.5
99.08157	4.1
111.08180	1.4
113.09726	2.6
123.08233	0.9
125.09668	0.9
141.12862	0.8
144.04521	1.2
146.89586	0.8
169.15994	2.6
181.16010	1.6
193.15984	2.8
197.15491	3.1
199.17050	2.9
215.16545	1.8
225.15065	2.5
227.16592	2.3
237.14969	6.8
241.14542	1.0
243.15997	36.8
244.16385	2.4
255.16010	10.1
281.13940	5.2
287.15002	100.0
288.15372	6.0
299.14984	20.5
300.15286	1.5
343.13870	6.8
361.14996	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.9
59.01373	16.9
69.36253	4.7
71.01373	8.0
71.05025	3.0
72.99305	41.6
73.02948	11.1
83.01383	2.6
83.05023	2.8
85.02924	1.8
89.02453	2.9
97.06602	2.2
98.21835	3.2
101.02449	6.3
108.02190	1.4
109.00859	1.3
113.02420	2.6
119.54003	1.5
123.04498	2.3
125.02446	1.7
135.04552	2.3
138.05602	3.4
139.05954	3.0
139.07639	2.3
139.87794	1.3
144.04517	2.0
145.05301	2.7
152.14651	1.2
157.08678	3.1
160.04028	3.8
161.04805	3.5
162.05627	1.6
169.15897	3.7
181.15967	10.2
189.04288	7.7
193.15952	4.2
197.15494	5.5
199.17049	4.0
211.17035	3.1
215.16724	1.4
221.06865	3.5
225.14946	4.3
227.16676	1.8
237.14934	6.0
241.14546	3.0
243.16011	26.1
244.16409	2.5
255.15977	9.7
267.11389	3.4
271.12070	2.5
279.03357	1.4
281.13919	3.9
287.15005	100.0
288.15320	7.1
299.09845	1.7
299.14993	21.1
305.75497	1.5
311.10394	3.8
319.13962	3.3
325.03802	4.4
331.08377	2.3
343.13425	17.5
361.01563	2.6
361.09354	12.1
361.14868	25.0
361.18707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
65.36636	0.2
69.61456	0.4
69.61838	0.4
76.44673	0.2
79.95707	0.2
95.01390	0.7
95.55148	0.2
96.02151	2.3
111.00875	0.6
121.02907	0.2
123.00864	2.0
124.01657	6.3
125.02453	0.3
137.06047	0.4
138.03134	0.3
151.00414	0.4
152.01147	7.1
153.01865	0.3
163.81720	0.2
165.01965	0.8
166.02675	1.4
179.44296	0.2
184.00160	0.6
195.17538	0.5
222.24155	0.2
265.18069	4.6
265.20755	0.3
266.18411	0.3
289.17673	0.2
293.17575	100.0
294.17920	5.5
303.19614	0.9
303.23071	0.5
317.24817	0.5
319.19162	0.3
319.22348	0.4
361.16003	0.3
361.23831	1.7
361.27234	0.4
362.18045	0.4
362.23425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
61.98827	1.5
83.22387	0.9
90.94328	1.0
94.23724	0.9
109.02973	1.5
110.03749	3.1
123.04493	2.3
125.02440	1.2
137.02428	2.0
138.03221	6.8
151.04005	3.6
166.02742	4.1
179.03493	1.5
180.04314	2.8
184.87640	1.0
198.01711	1.3
203.14371	1.3
219.13837	1.1
248.94858	1.5
251.16470	7.2
279.15991	100.0
280.16333	8.3
281.24747	0.9
293.17609	4.1
299.23849	2.7
301.21548	1.2
317.25040	2.3
319.22833	5.4
361.19839	0.9
361.23801	21.9
362.08307	6.8
362.19727	1.3
362.23706	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	361.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.0
61.98831	0.4
67.01878	0.5
68.04167	0.3
68.99809	0.5
69.28921	1.5
69.29314	0.7
74.73848	0.3
79.05506	0.4
81.03455	7.6
83.05024	5.5
95.01392	3.4
95.49985	0.3
96.02158	0.4
98.00064	0.8
107.05026	3.6
109.02953	2.4
110.00079	0.5
110.03756	0.4
111.00877	0.3
119.59861	0.3
122.03718	2.3
123.00880	29.1
123.04520	23.6
124.01756	1.8
124.04865	0.8
133.32472	0.3
135.04520	0.6
137.02443	8.6
137.06000	0.4
149.02454	0.9
151.00455	1.7
151.04001	18.1
152.01134	0.8
152.04359	0.7
153.01659	0.3
153.05507	0.3
165.01927	11.4
165.05573	0.8
166.02411	0.6
179.07129	1.5
193.08627	1.1
195.42416	0.3
198.01213	0.3
207.10280	0.5
208.14612	0.4
217.07195	5.2
218.07393	0.8
233.15422	0.4
236.14169	6.7
237.14552	0.7
240.13704	0.6
251.16515	1.4
263.12766	0.4
264.13629	8.2
265.14063	0.5
279.15988	100.0
280.16309	9.0
285.13446	2.6
293.17432	0.6
301.16577	16.7
302.16858	1.6
317.17606	0.4
317.24734	1.6
318.21417	1.5
319.19092	1.5
319.22617	0.6
333.24387	1.7
336.62595	0.4
343.22705	0.8
343.26361	1.2
344.18631	1.1
361.20218	1.0
361.23758	22.5
361.27582	8.5
362.06906	0.6
362.19659	4.0
362.24054	3.2
362.27869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03450	1.4
58.78568	0.4
59.01377	23.3
69.03464	0.5
70.70888	0.4
71.01380	16.0
72.99287	0.4
73.02945	3.6
83.01376	3.7
85.02951	6.5
86.00114	0.4
87.00896	1.1
89.02445	5.0
95.01419	1.4
99.00874	1.8
101.02446	10.5
101.03085	0.8
109.02972	1.1
111.00888	0.8
113.02452	3.6
119.03532	1.1
121.02950	3.7
122.03759	4.2
123.04540	0.6
125.02514	0.5
137.02478	0.4
140.37057	0.4
147.04533	1.7
149.06137	0.5
150.01804	0.4
153.12862	0.6
161.04675	0.5
161.06078	0.6
165.05562	4.5
173.08189	0.4
179.07214	1.7
181.12367	2.5
199.13397	7.1
200.13742	0.6
247.12038	0.4
259.19702	0.4
265.25003	0.4
286.15051	0.4
315.12421	0.5
343.17740	1.5
346.14322	1.4
361.18826	100.0
362.19199	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95425	0.4
55.01866	1.6
57.03438	1.7
59.01375	17.5
69.03439	0.6
69.23312	2.1
71.01379	16.5
73.02944	3.4
83.01390	2.5
85.02940	5.5
87.00885	0.7
89.02457	3.9
95.01373	0.7
97.02934	0.5
99.00860	1.3
101.02437	6.2
112.90141	0.5
113.02437	2.4
119.03542	1.1
153.12854	1.1
158.59277	0.5
160.11098	0.5
181.12309	1.5
199.13391	16.1
200.13603	1.0
219.10274	1.9
237.11307	0.9
267.66544	0.5
343.17499	2.4
361.18655	100.0
362.18994	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	361.2019
Annotation	11beta-Acetoxy-5alpha-isobutyryloxysilphinen-3-one
Peak:m/z	Relative Intensity
58.88048	1.8
59.01394	1.6
71.45670	1.8
92.92036	3.9
96.02175	2.4
124.01651	3.9
152.01164	6.1
165.01915	5.8
212.04181	1.7
291.19638	4.2
293.17673	1.9
316.65677	1.7
319.19110	100.0
320.19434	7.2
333.24350	1.7
361.12384	5.2
361.19983	3.5
361.23825	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	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85242	1.6
59.01118	1.7
59.01381	21.4
69.63638	2.5
69.63988	2.8
74.27880	1.1
99.92560	2.3
196.69952	1.2
210.66533	1.1
222.33720	1.4
232.98425	1.1
261.22272	1.3
275.20038	1.6
279.23276	100.0
280.23608	7.3
280.33765	1.1
303.19519	4.0
318.25085	3.4
361.15851	1.6
361.23718	24.6
361.27649	4.0
362.23624	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	361.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82054	0.7
61.98808	0.9
66.93250	0.7
70.10198	1.0
70.10534	1.6
79.44376	0.8
102.73091	0.7
105.06955	0.7
106.60909	0.8
108.02168	1.7
109.02956	0.9
111.83234	0.7
123.04514	7.7
137.02437	1.4
138.03232	12.6
148.05273	1.8
150.03201	1.0
151.02840	1.1
151.04010	12.2
152.04747	4.2
159.53050	0.8
165.05554	3.9
166.02641	0.8
168.66760	0.8
175.78134	0.9
180.04198	1.0
193.43228	0.7
221.11923	1.6
275.20132	9.1
276.20291	1.3
288.20938	1.1
289.17932	0.8
289.21527	1.0
293.17603	4.9
293.20395	0.8
301.21741	1.6
303.19647	29.9
304.20166	4.6
317.21194	1.4
318.21976	44.0
319.22723	59.9
320.23071	5.6
331.22601	2.7
361.15219	3.9
361.23804	100.0
362.24161	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	361.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91905	0.6
69.93147	1.1
69.93479	1.7
78.17803	0.7
108.02165	4.8
109.03004	1.5
121.02959	2.1
134.03682	1.4
135.04562	1.0
136.01675	1.1
137.02440	1.3
138.03209	2.4
150.03227	2.3
176.04730	1.0
206.25771	0.8
220.35555	0.7
275.20135	36.9
276.20569	2.5
287.20151	0.9
288.20926	4.3
289.21481	1.4
301.21600	1.3
303.19635	100.0
304.20108	14.8
305.20871	0.9
318.21979	28.0
319.22455	2.3
329.21231	3.0
330.21933	1.4
331.22705	6.5
361.23807	76.2
362.24207	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	361.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.74207	0.4
59.01381	0.8
59.28125	0.4
61.98805	0.6
66.92020	0.4
67.01887	1.0
69.03452	0.4
69.51509	1.5
71.05019	0.8
79.05536	4.9
81.03455	2.7
83.05022	1.5
93.97963	0.4
95.05027	0.5
97.02942	4.7
106.04263	0.5
107.05042	3.3
109.02970	3.2
109.06590	3.9
110.03732	1.3
111.04520	3.5
115.25089	0.4
121.02964	0.9
122.03745	1.9
123.00880	0.5
123.04526	23.5
124.04823	0.6
125.02379	0.5
125.06077	2.5
128.43130	0.4
135.04535	3.1
136.05363	0.6
137.02441	8.8
138.03220	2.0
149.06111	0.5
151.04007	11.8
152.04742	0.8
153.05579	14.0
168.29422	0.4
175.04193	0.5
176.04778	0.7
179.03543	1.1
180.04247	2.3
189.05600	0.5
205.15973	3.3
223.02019	0.4
239.75264	0.4
241.30484	0.4
247.17018	17.3
248.17421	1.3
259.20703	0.8
271.32803	0.4
275.20123	2.2
277.21671	0.9
279.15930	1.3
287.20221	0.5
293.17624	1.1
299.23785	0.4
301.16797	0.5
305.21033	0.9
315.23218	1.7
317.21375	0.5
317.25003	0.7
319.19351	0.8
319.22568	2.2
331.22897	0.9
333.24344	4.9
334.24841	0.6
343.22705	5.2
343.26453	3.6
344.18411	0.4
344.22861	0.5
344.26819	0.6
361.20197	6.5
361.23792	100.0
361.27615	21.9
362.06760	0.4
362.19931	2.0
362.24103	11.2
362.27896	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	361.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03435	0.5
59.01381	0.8
67.01906	0.7
69.52267	0.8
69.52673	1.4
71.05001	1.0
79.05538	6.3
81.03455	2.6
83.05020	1.4
89.05973	0.4
94.22601	0.4
95.05010	0.5
97.02942	5.0
97.06552	0.8
98.35381	0.5
102.55421	0.4
107.05036	2.6
109.02943	4.8
109.06596	3.4
110.03734	1.7
110.73773	0.4
111.04521	4.4
122.03770	1.9
123.00903	0.7
123.04527	22.1
124.04877	0.9
125.02425	0.5
125.06068	2.7
126.10755	0.4
135.04533	2.5
136.05255	0.6
137.02446	8.9
138.03229	1.8
149.06018	0.6
151.03999	11.9
152.04721	1.4
153.05577	13.6
160.83383	0.5
179.03569	2.1
180.04311	1.9
205.16013	2.9
206.16432	0.6
223.20522	0.5
225.18480	0.6
247.17003	15.8
248.17262	1.0
259.20636	0.6
275.20117	1.5
277.21750	1.2
279.15930	0.9
291.19577	0.5
293.17496	0.9
305.21326	1.0
315.23187	1.7
317.24667	0.7
319.19135	0.5
319.22711	1.8
331.22964	0.8
333.24271	5.5
334.24536	0.6
343.22720	4.7
343.26401	4.1
344.26791	0.5
346.17905	0.6
361.20197	6.8
361.23782	100.0
361.27603	22.1
362.19983	1.8
362.24075	12.8
362.27975	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	361.2383
Annotation	Maesanin
Peak:m/z	Relative Intensity
55.01873	1.1
57.03435	0.6
59.01366	0.6
61.98841	0.5
62.43388	0.3
67.01897	0.5
69.03439	1.0
69.19772	1.1
69.20170	0.6
71.05009	1.0
79.05527	2.9
81.03442	1.7
83.05009	2.1
91.05534	0.4
93.03458	1.0
94.04269	0.4
95.04993	0.4
97.02946	8.6
97.06571	0.6
106.04247	0.4
107.05033	4.5
108.02129	0.4
109.02952	7.0
109.06582	7.0
110.03781	2.0
110.06975	0.4
111.04520	6.0
112.04816	0.4
122.03724	0.6
123.00861	0.6
123.04518	14.4
124.04829	0.4
125.06088	3.8
134.03748	0.7
135.04543	3.0
136.05281	0.7
137.02440	3.2
138.03191	1.1
151.03062	0.3
151.03999	14.0
152.04712	1.2
153.05565	22.8
154.05914	1.0
175.03996	1.0
176.04762	1.0
179.03464	0.7
180.04250	1.8
187.05530	0.3
189.05553	0.5
217.93443	0.3
223.20680	0.8
225.18556	1.0
259.20609	1.3
261.18515	1.1
277.21594	0.7
287.23917	0.4
289.18225	0.4
291.23285	0.7
305.21368	0.6
315.23203	2.8
316.23569	0.4
317.21243	0.7
317.24991	0.9
331.22601	0.5
333.24313	10.6
334.24713	1.3
343.22742	9.8
344.22998	0.8
361.23807	100.0
362.07025	0.6
362.24121	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	361.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82312	0.1
55.01878	3.7
57.03447	1.3
59.01387	1.1
61.98817	0.3
65.81003	0.1
69.03458	0.4
69.27776	0.8
71.05013	0.3
81.03454	0.2
83.05021	0.5
95.05019	2.7
95.57148	0.1
97.02947	0.4
97.06595	0.8
97.89693	0.2
113.09732	5.2
122.03734	0.2
125.09725	0.4
129.21199	0.1
135.04527	0.3
136.05296	1.6
137.06030	0.3
139.11290	0.2
149.06084	0.5
151.03949	0.3
161.28973	0.1
165.12849	2.4
180.51874	0.1
197.37386	0.2
218.86716	0.2
221.19104	0.2
235.13455	0.3
275.23767	0.4
293.17538	0.3
317.21283	0.2
317.24622	0.2
318.82846	0.2
319.22754	100.0
320.23096	11.6
343.26367	0.3
361.23813	37.9
362.07080	0.2
362.24115	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	361.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75253	0.5
103.53934	0.4
108.02162	1.0
109.02995	0.8
116.15914	0.4
121.03020	0.4
122.03741	100.0
123.04092	3.0
125.02467	0.5
125.09659	0.6
126.03231	0.8
129.93916	0.4
132.21675	0.5
137.02477	1.3
137.06082	69.6
138.06435	3.0
149.02324	0.5
151.03984	0.6
154.02689	1.2
157.20062	0.4
163.03990	0.6
165.87421	0.4
177.05574	0.9
260.80750	0.4
289.76007	0.4
361.23831	98.1
362.24179	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87648	0.5
55.01883	0.9
57.03460	0.7
59.01368	3.5
67.01888	0.6
69.33514	2.1
71.05012	3.8
79.05525	2.7
81.03472	1.2
95.01420	0.6
95.05011	1.0
97.02959	1.5
109.02954	3.7
110.03732	2.5
111.04552	0.7
120.05766	1.0
123.00867	2.2
123.04525	12.2
125.06092	0.6
134.21497	0.6
135.04425	1.0
137.02458	4.4
138.03249	2.7
151.04007	11.4
152.04729	1.3
166.02669	1.7
195.17525	0.8
245.18938	0.6
247.17020	3.0
251.16530	2.4
263.20178	5.8
264.20422	0.8
273.22232	1.3
275.23645	0.7
277.21762	1.3
279.16006	41.2
280.16342	3.5
293.17572	0.9
301.21732	4.7
302.21570	0.6
317.13965	0.8
319.22751	100.0
320.23123	10.3
361.23816	97.3
362.08240	2.5
362.19965	0.7
362.24091	11.6
369.69751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2382
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
54.96530	0.3
57.03434	0.8
63.30349	0.3
65.03957	0.7
69.50142	0.7
69.50542	1.3
80.02671	1.4
81.03459	0.5
83.05036	0.8
84.40848	0.3
92.02669	0.4
93.03452	10.8
94.03741	0.4
95.01385	0.8
95.05045	0.4
98.21892	0.7
99.21658	0.3
106.56818	0.4
107.05023	0.7
108.02170	28.9
109.02329	0.6
109.02969	8.6
109.06583	0.7
117.03409	0.4
120.02144	0.9
121.02950	19.6
121.79230	0.4
122.03218	0.5
123.00854	0.5
123.04521	8.8
126.65027	0.3
133.02963	0.4
135.04523	1.0
136.01637	2.0
137.02438	51.3
138.03242	10.3
147.04562	0.9
148.01630	0.4
151.03996	7.0
153.05566	26.2
154.05934	1.1
161.02458	2.5
162.03192	0.6
163.03911	0.5
164.84230	0.4
165.01920	2.9
170.02263	0.8
175.04083	1.8
180.04349	0.6
223.20638	0.9
225.18526	0.9
251.20026	2.2
279.15955	3.1
293.17493	1.2
301.21729	5.9
302.22165	0.7
317.17758	0.5
317.21194	3.6
318.21603	0.6
319.22720	0.5
329.21182	9.4
330.21533	1.5
331.22766	1.4
333.24173	1.6
336.10712	0.3
343.22766	1.0
346.21484	1.6
361.23767	100.0
361.27567	10.2
362.24112	11.1
362.27924	1.0
377.28082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49252	0.5
69.51767	1.6
80.52655	0.5
81.03451	9.4
93.03558	0.5
95.05005	1.0
108.02189	0.7
109.02951	0.6
121.02960	0.5
122.03735	78.7
123.04095	2.0
125.02429	0.6
126.03175	0.7
137.06078	93.7
138.06398	3.0
150.03157	0.4
151.04004	1.0
154.02684	0.9
163.04063	0.6
177.05582	0.7
213.39122	0.5
247.13431	0.7
249.60698	0.5
252.35628	0.5
291.16052	5.2
292.16193	0.5
343.22781	4.1
344.23337	0.6
359.22202	0.7
361.23807	100.0
362.24155	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	361.2382
Annotation	Aglatomin B
Peak:m/z	Relative Intensity
50.82359	0.4
57.03451	2.2
59.01379	1.7
65.00327	2.1
68.99802	0.5
70.59741	0.8
70.83379	0.3
81.03455	26.6
82.03793	0.6
83.01383	2.5
93.93520	0.3
107.01390	1.5
108.02200	0.5
120.13954	0.3
121.53734	0.4
122.03733	3.8
122.86346	0.4
123.04525	1.2
124.01676	0.6
125.02443	9.4
136.06393	0.3
137.02400	0.5
151.00394	2.2
152.01183	0.7
162.03223	0.8
166.02687	0.8
177.09268	0.6
179.03484	0.6
179.41295	0.4
219.13966	0.4
236.83984	0.4
253.21765	1.0
275.23734	4.7
277.21710	10.1
278.22031	1.2
289.21780	0.4
293.17593	1.0
303.19644	1.3
317.24829	47.0
318.21738	0.4
318.25171	5.6
319.22626	0.7
333.24411	0.4
343.22668	1.1
354.59830	0.4
361.23810	100.0
362.24142	12.3
362.28720	0.6
364.37018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63453	0.4
65.49186	0.4
69.03992	0.4
69.50608	0.4
71.32606	0.5
107.15728	0.4
109.02952	1.5
110.03743	4.2
125.02423	1.1
137.02455	1.4
138.03217	6.0
165.18399	0.5
166.02672	4.0
179.03491	4.4
180.04245	2.0
193.05023	1.3
221.08192	1.9
235.09766	0.6
236.10449	0.6
263.12668	0.7
333.24426	3.5
361.23810	100.0
362.24133	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	361.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13231	0.5
59.01374	1.0
60.35158	0.5
61.98824	1.1
70.94083	0.5
70.94476	0.6
81.03447	0.6
86.23385	0.5
94.77441	0.5
99.71923	0.5
108.02168	1.1
109.02929	1.1
122.03735	83.3
123.04102	2.1
136.01596	0.5
137.02455	1.5
137.06078	69.3
138.06395	2.6
149.02415	0.6
151.04031	0.8
154.02736	1.6
163.03960	1.1
174.99382	0.6
189.29463	0.5
202.98688	1.5
204.97546	0.5
291.16006	8.3
292.16376	0.9
319.23053	0.7
343.22748	6.9
344.23090	1.0
359.22269	1.3
361.23816	100.0
362.24133	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36074	0.7
52.79354	0.6
55.01896	3.3
59.01378	1.5
69.73675	2.0
95.05002	1.6
98.22530	1.3
99.85269	0.6
111.86903	0.6
118.11142	0.8
136.05301	2.0
137.06056	1.1
149.06117	1.9
185.90944	0.7
193.57439	0.7
205.12323	1.0
237.92049	0.7
261.22128	1.2
287.20334	1.9
289.21811	3.0
299.23788	15.7
300.24152	1.8
301.21683	2.5
315.23300	3.7
317.24857	11.4
325.21909	0.9
343.22760	44.7
344.22897	4.2
361.23831	100.0
362.24124	11.9
379.64767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72950	0.2
61.81955	0.2
65.03957	0.6
67.01888	0.5
68.99812	1.0
69.23244	0.6
69.23649	0.8
79.01889	0.3
82.00613	0.7
85.37299	0.3
93.03451	0.4
95.01382	7.9
96.02181	1.5
98.00088	0.8
109.02954	2.5
110.00095	1.2
110.03745	0.3
111.00872	0.5
123.00881	48.2
124.01733	3.6
125.02443	0.3
132.72504	0.2
137.02440	13.0
138.03012	0.3
151.00362	3.9
151.04018	0.7
151.07664	0.7
152.01103	1.0
153.01859	0.3
156.00610	0.3
165.01921	22.1
165.05585	1.0
166.02402	1.0
167.03517	0.3
179.03500	1.0
179.07091	2.3
180.07532	0.3
185.32414	0.2
193.08699	1.1
202.70142	0.2
207.06604	0.5
207.10257	0.6
221.08221	0.8
221.11790	3.1
247.17032	0.6
249.11339	0.6
261.15057	0.5
275.16534	2.4
276.16849	0.4
289.18112	1.9
303.16025	0.4
317.21204	0.5
318.21964	1.7
333.24408	1.5
345.20624	0.7
346.21417	6.5
347.21762	0.6
361.23810	100.0
362.24152	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	361.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	15.8
58.03788	0.3
65.00324	23.5
66.00649	0.4
67.31416	0.2
69.81972	0.5
69.82302	0.4
79.05575	0.3
81.03462	3.9
83.01388	8.3
98.21980	0.3
122.03753	0.8
123.04532	6.4
123.05298	0.2
124.01721	0.3
125.02450	100.0
126.02781	2.7
137.06128	0.3
145.73579	0.3
152.01176	0.4
207.38831	0.3
226.46465	0.3
251.23869	1.9
272.35229	0.3
275.23788	4.3
276.24036	0.5
293.17548	4.8
293.24716	0.4
294.17844	0.3
317.21072	0.5
317.24820	10.4
318.25137	0.9
319.22812	1.3
320.19791	0.4
325.67310	0.3
333.24341	0.4
361.23807	43.5
362.19952	0.5
362.24118	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	361.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50437	0.6
59.01369	1.2
59.83913	0.7
69.51273	1.5
69.51668	2.1
79.03322	0.6
81.03444	1.5
83.57992	0.6
96.02161	1.4
107.05022	0.8
108.02188	1.2
109.02945	1.7
109.06616	0.8
111.04479	0.9
118.69212	0.6
122.03731	1.0
123.04536	5.9
124.01640	4.8
124.04839	1.4
125.02437	1.0
135.04517	1.7
137.02446	2.6
138.03226	21.7
148.05301	3.3
151.03993	6.4
152.01149	3.5
152.04826	4.2
153.05476	1.2
165.05614	1.2
166.02713	1.1
207.13847	1.1
222.12358	0.7
257.75845	0.7
263.20062	1.1
265.18063	2.3
289.21701	1.0
293.17581	51.2
294.17911	2.6
301.21811	1.9
303.19754	0.9
304.20560	3.3
307.19208	5.2
318.22015	5.5
319.22656	100.0
320.23016	9.6
361.23587	14.1
361.27524	2.3
362.19794	0.8
362.23700	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	361.2748
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
51.75319	0.1
56.02037	0.1
65.00326	0.3
67.49110	0.1
69.48412	0.3
69.48801	0.3
79.05524	0.4
81.03456	38.1
82.03791	0.9
83.01385	0.8
93.03470	0.3
97.59585	0.1
98.22659	0.2
109.02954	0.2
122.03752	0.4
123.04525	100.0
124.04851	2.9
125.02551	0.1
137.02533	0.2
144.32788	0.1
282.51312	0.1
293.17593	0.5
303.21854	0.1
319.19055	0.2
328.62494	0.1
361.27475	20.6
362.23703	0.1
362.27798	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	361.2746
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
57.24130	0.3
69.51810	1.3
73.11552	0.3
79.05539	0.7
81.03452	41.8
82.03796	1.2
98.21896	0.5
112.15588	0.3
122.03780	0.8
123.04518	100.0
124.04834	3.4
153.84221	0.3
186.24524	0.4
218.94485	0.3
268.93787	0.4
289.21545	0.5
293.17603	1.0
303.19489	0.5
310.39337	0.3
317.24866	0.5
319.26810	0.5
329.24884	1.0
361.24020	3.9
361.27469	71.4
362.19907	0.4
362.23721	1.1
362.27798	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.2
61.98804	0.6
73.10539	0.4
79.05521	0.8
81.03458	6.6
81.60119	0.4
88.93235	0.4
89.18928	0.4
92.23020	0.4
93.91523	0.5
95.01363	0.5
95.19768	0.4
96.96001	0.5
98.22517	0.4
103.51316	0.4
107.04992	0.4
109.02950	0.5
110.03783	0.5
113.09700	0.5
122.03738	4.5
123.00878	3.9
123.04512	3.3
124.01697	0.6
135.04526	2.2
137.02426	5.5
138.03206	0.9
149.06027	0.8
150.03195	0.5
151.03969	2.3
164.04753	0.5
165.01900	1.6
166.02695	0.6
171.68106	0.6
179.03601	0.6
179.80176	0.4
191.10728	0.5
203.02190	0.5
203.18047	0.7
205.15974	12.8
206.16281	1.1
233.19139	0.6
247.17024	63.0
248.17336	4.9
264.13669	1.0
275.20300	2.4
279.16000	11.8
279.19119	0.6
280.16226	0.7
291.19714	0.9
293.17624	1.4
301.16641	0.7
301.25421	0.6
317.17612	0.7
319.19043	2.4
333.24310	1.2
343.22458	0.9
343.26413	12.9
344.18661	1.1
344.26752	1.5
359.25909	0.9
361.20078	4.8
361.24026	6.0
361.27493	100.0
362.20053	4.8
362.23865	1.4
362.27792	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	361.2747
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
54.94244	0.7
59.01367	2.5
60.52251	0.7
61.98811	2.5
75.22321	0.8
81.03452	4.7
96.96058	0.8
100.09166	0.9
100.62705	0.7
111.90054	0.8
112.14140	0.9
116.25529	0.8
122.03764	4.2
123.00904	1.8
123.04539	1.6
135.04535	2.5
136.05309	0.7
137.02443	4.2
179.03377	0.8
200.26958	0.8
202.98782	0.9
205.15932	8.3
205.17670	1.1
218.86661	1.1
233.19156	1.3
247.17003	39.2
248.17357	2.8
260.87003	0.9
275.20163	7.1
279.16089	4.2
291.19598	3.8
301.16553	1.3
343.26401	15.9
344.26788	1.4
359.25873	1.3
361.20099	4.3
361.24136	4.8
361.27478	100.0
362.06921	2.6
362.19943	1.4
362.23941	1.1
362.27826	14.4
366.14725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	30.6
60.01712	4.4
61.01799	1.3
61.98826	100.0
72.51690	0.4
75.56633	0.4
118.78770	0.4
129.39868	0.4
132.98218	0.8
159.01526	0.6
160.97784	0.6
162.18280	0.4
174.99252	5.6
175.99585	3.2
176.99631	0.7
177.96643	0.7
178.98547	2.2
199.98747	0.5
201.02559	3.4
202.98726	4.2
203.02310	2.3
203.98108	9.9
203.99893	1.9
204.02574	2.5
206.73724	0.4
208.59560	0.5
217.00278	8.9
218.00624	10.4
218.02620	0.8
219.00807	3.7
219.97745	49.6
220.97600	0.9
220.99594	9.0
253.41898	0.4
272.44418	0.4
313.63400	0.4
361.98148	1.3
362.01910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.73091	0.3
59.01378	6.8
61.98830	100.0
67.98541	0.5
69.31895	0.7
69.32262	1.5
71.01383	3.7
72.99310	4.0
73.02937	0.9
73.59333	0.3
83.01416	0.4
85.02970	0.8
89.02438	2.9
93.03458	4.1
101.02459	2.1
110.06135	1.4
111.06469	0.4
113.02458	1.6
119.03524	0.9
122.05339	0.4
122.06111	2.6
123.06454	1.2
137.02443	7.1
139.11299	0.5
139.69287	0.3
144.04581	1.6
145.04903	1.3
161.04596	0.8
165.05577	0.6
176.07098	0.5
177.07498	0.5
183.10286	0.9
200.14790	0.4
201.11333	0.4
207.03050	0.7
220.00858	0.4
237.15010	0.6
241.36128	0.4
243.16063	1.4
244.16367	2.6
256.16199	0.4
268.11972	0.5
286.07541	0.5
286.12808	0.8
287.15018	4.1
288.15363	6.5
292.02621	0.4
299.14685	0.7
300.14694	2.4
317.83038	0.4
318.15601	0.8
327.07428	0.7
344.14432	0.6
362.15399	0.8
363.16583	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	362.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.0
61.98822	3.1
65.81673	2.4
162.49622	3.0
184.10573	3.5
265.14325	4.0
319.22729	100.0
320.22980	10.7
363.21655	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	362.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	32.7
69.82329	7.6
69.93849	18.2
72.96285	7.2
82.14016	7.8
86.74917	8.3
91.41177	7.5
106.27287	7.1
118.94225	11.0
122.03704	22.5
137.06013	12.0
138.03229	15.0
138.06439	13.8
249.15051	18.0
271.99725	10.4
290.81583	8.2
293.17474	9.9
301.21677	12.8
319.22736	89.4
320.23129	27.6
345.24246	17.6
362.23581	100.0
363.05844	9.7
363.25116	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	362.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61153	16.0
53.16955	20.1
61.98826	73.0
67.23058	17.1
69.32951	100.0
73.15342	15.7
82.53234	18.2
100.98639	20.8
116.97270	22.6
122.03732	97.1
137.06085	86.1
232.10959	18.8
268.64999	19.4
319.22775	74.8
327.07205	36.2
362.19785	22.0
363.25479	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64588	1.7
61.98821	8.5
66.64675	1.7
69.24204	1.7
69.65514	4.4
70.07060	1.8
81.03456	5.8
104.77191	1.7
122.03766	10.7
124.48203	1.7
130.55098	2.0
136.05391	2.2
137.06087	40.6
160.97003	1.7
175.83949	2.2
219.97774	2.1
249.14949	13.2
276.20865	1.8
301.21808	16.1
317.21179	2.6
319.22775	100.0
320.23132	11.6
327.00839	4.5
344.22983	4.9
345.20773	5.1
362.24115	16.4
363.21564	8.4
363.25427	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	362.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02452	10.7
60.92863	10.4
63.98685	11.2
66.73244	9.3
71.07325	15.9
75.16107	12.3
122.81733	12.0
161.01578	10.5
194.47269	10.9
235.01027	11.2
279.81332	12.4
299.68607	11.2
300.84610	10.4
319.22672	100.0
320.22891	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	362.2427
Annotation	Cetyltrimethylammonium bromide
Peak:m/z	Relative Intensity
63.67395	0.4
66.39146	0.4
68.17416	0.6
69.35168	2.5
110.03742	1.4
115.07346	0.5
115.35706	0.5
125.02398	1.0
137.02446	1.1
138.03246	3.5
139.04010	12.5
140.04381	0.8
153.05589	1.1
166.02719	3.1
167.03490	22.2
168.04143	2.2
179.03445	1.2
180.04243	1.1
181.05060	1.9
183.70879	0.5
191.07103	0.7
191.10892	0.5
198.01720	0.6
219.13824	0.6
222.08826	0.5
247.13419	0.7
277.21649	1.2
289.07086	0.5
305.21234	2.8
314.69067	0.5
319.19189	1.9
333.24417	2.9
361.23807	24.9
362.24576	100.0
363.20941	0.8
363.25070	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	362.27
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58555	14.6
71.13836	6.8
72.63696	7.5
103.54948	6.8
150.59995	7.5
186.16870	7.1
194.92010	7.2
199.22717	8.2
224.63210	7.0
240.81473	6.7
250.34547	7.8
320.25604	10.9
362.24097	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	363.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.94316	0.8
60.01707	1.7
60.99302	1.8
65.00287	0.9
65.87438	0.9
70.50879	1.4
71.01376	6.1
72.99310	10.4
73.02945	2.0
74.99084	4.6
85.02935	2.4
87.00872	1.4
88.98807	9.8
89.02443	3.3
97.06577	5.2
101.02437	2.7
113.02450	3.3
120.99670	1.4
122.25862	0.9
136.99117	2.2
141.09184	1.4
158.03726	14.3
159.04462	1.3
159.06577	2.5
161.04584	1.3
175.02513	1.0
197.11769	6.0
201.05566	2.7
241.10889	1.6
259.15454	1.4
271.91431	0.9
275.09570	4.0
289.16275	3.5
303.14337	3.9
321.15430	2.1
327.07236	1.2
332.24710	1.0
333.22595	1.1
363.11035	9.7
363.16074	5.1
363.20322	3.7
363.24033	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
55.90961	0.6
56.30975	0.6
57.03449	9.9
59.01378	94.3
60.01706	1.0
61.98831	20.0
70.40390	1.4
71.01380	19.0
72.99309	0.9
73.02940	4.0
83.01375	1.8
85.02953	6.7
87.00862	1.0
89.02439	14.7
95.01398	1.8
98.21925	0.7
99.00853	0.9
101.02440	16.2
101.03087	1.1
105.03783	1.3
113.02464	8.6
119.03503	5.1
123.08177	1.2
143.03583	1.0
161.04549	2.4
165.05574	1.4
183.10265	8.9
192.00584	3.0
201.11414	0.9
207.02948	1.4
249.03928	0.9
275.13113	0.9
303.14478	1.6
327.07303	3.1
363.16595	100.0
364.16919	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	363.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.94316	0.8
60.01707	1.7
60.99302	1.8
65.00287	0.9
65.87438	0.9
70.50879	1.4
71.01376	6.1
72.99310	10.4
73.02945	2.0
74.99084	4.6
85.02935	2.4
87.00872	1.4
88.98807	9.8
89.02443	3.3
97.06577	5.2
101.02437	2.7
113.02450	3.3
120.99670	1.4
122.25862	0.9
136.99117	2.2
141.09184	1.4
158.03726	14.3
159.04462	1.3
159.06577	2.5
161.04584	1.3
175.02513	1.0
197.11769	6.0
201.05566	2.7
241.10889	1.6
259.15454	1.4
271.91431	0.9
275.09570	4.0
289.16275	3.5
303.14337	3.9
321.15430	2.1
327.07236	1.2
332.24710	1.0
333.22595	1.1
363.11035	9.7
363.16074	5.1
363.20322	3.7
363.24033	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	363.2179
Annotation	nor-Asbestinin A
Peak:m/z	Relative Intensity
53.58853	1.9
59.47021	2.2
69.35712	12.4
73.91780	2.3
91.72159	2.3
124.01672	5.4
152.01163	8.4
166.02705	2.7
293.21265	6.3
321.16901	4.9
321.20688	100.0
322.20969	9.5
351.06326	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	363.2174
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
61.98819	1.0
65.03956	1.2
69.58093	2.9
81.03455	0.8
98.21902	1.0
108.02160	1.3
109.02958	5.4
120.50025	0.8
122.03728	3.0
124.20342	0.8
127.55116	0.8
190.02528	0.9
192.00679	0.9
207.02968	1.0
259.20648	2.7
261.18546	1.9
273.22217	2.5
277.21750	3.0
301.21741	15.8
302.22284	1.2
303.19675	8.1
317.21118	2.0
319.22638	5.6
321.20691	6.0
327.07321	0.9
327.19742	1.8
345.20679	56.6
346.21115	4.8
363.21750	100.0
364.21991	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	363.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30140	1.3
61.30696	1.2
61.98820	3.5
71.60205	1.2
95.10706	1.2
109.02958	5.0
110.03691	1.9
116.97196	1.7
122.03730	2.7
123.04523	4.5
124.01667	2.6
137.02441	64.7
138.03221	3.1
142.91760	1.5
151.04001	11.4
165.01889	2.6
166.02763	1.6
179.03496	12.2
179.06915	1.3
179.10820	1.3
192.00653	2.1
193.08629	2.3
198.93948	1.3
221.11800	3.7
249.14999	1.6
265.14474	5.4
277.18054	3.8
296.05157	1.6
305.91974	1.6
320.19901	4.5
331.19022	2.6
348.19260	4.8
363.18362	4.5
363.21710	100.0
363.25323	8.4
364.22055	11.4
364.25986	2.1
384.88986	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	363.2176
Annotation	Brassicicene F
Peak:m/z	Relative Intensity
53.85316	0.3
64.50150	0.4
69.28307	1.8
69.28660	0.7
79.05524	0.7
96.02190	0.4
99.92584	0.4
109.02956	1.0
110.03767	0.9
116.06329	0.5
116.92918	0.5
121.02989	0.5
123.00889	1.1
123.04519	1.6
124.01649	1.7
135.04536	1.1
137.02441	10.2
138.03229	0.6
149.02434	8.0
150.06837	1.1
151.03998	1.8
152.01151	1.1
160.05269	0.9
163.04005	6.5
167.14510	0.5
177.01968	1.4
177.05606	1.3
178.02451	0.4
178.06334	2.7
179.03517	1.9
179.07124	0.6
188.04843	0.5
191.03511	0.9
191.07088	0.4
192.07915	0.5
193.12398	0.4
206.05824	2.0
206.09422	0.5
207.10345	0.5
208.07425	0.4
220.07391	0.4
229.19582	4.3
237.14909	0.5
263.16284	0.5
265.14420	6.9
273.22067	0.4
283.87808	0.4
291.16016	5.5
291.19672	5.9
292.20227	0.5
301.18106	2.5
301.21448	0.7
302.18369	0.4
303.58572	0.4
319.19131	92.2
320.19580	10.0
321.20508	0.8
348.19214	0.4
363.21753	100.0
364.22144	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	363.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90926	0.4
55.01877	0.7
59.20589	0.4
83.01374	0.5
96.02195	0.6
98.22791	0.8
99.92596	0.7
109.02943	3.6
110.03735	1.8
123.00878	1.3
123.04532	7.3
124.01658	3.2
136.01634	0.4
137.02444	61.8
137.06053	1.1
138.03102	2.9
139.03986	0.5
142.02724	1.2
151.04008	13.0
152.01196	0.6
152.04353	0.5
159.13028	0.4
165.01915	2.5
165.05573	0.9
165.09175	0.6
166.02658	0.9
174.65358	0.4
179.03502	12.4
179.07088	0.9
179.10789	1.5
180.03888	0.6
193.04921	0.4
193.08694	1.3
200.93472	0.4
207.10251	6.2
233.15440	1.4
235.09764	1.3
239.95966	0.4
247.13422	0.7
247.14409	0.5
247.16983	5.4
261.14987	2.4
262.15417	0.6
265.14471	5.5
265.17206	0.7
275.16550	2.5
281.17621	0.7
291.19669	0.7
310.08258	0.4
310.13583	0.4
312.37851	0.4
317.17511	1.0
319.19098	0.6
320.19791	4.2
320.22852	0.5
321.20435	1.2
335.22348	0.7
336.08853	1.1
348.19373	4.1
363.07037	1.4
363.12158	2.6
363.18231	6.0
363.21774	100.0
364.22086	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53558	0.5
61.98661	0.6
61.98918	0.8
67.03103	0.6
69.72034	1.6
83.01494	0.6
85.03699	0.6
85.04193	1.1
96.84122	0.5
108.02371	0.6
109.03086	1.0
121.03093	0.7
122.02586	0.8
122.03880	0.9
123.01060	1.5
123.03394	0.8
124.01864	3.6
134.03886	0.8
137.02635	3.7
137.06230	1.5
137.84015	0.5
138.03435	4.4
150.02151	0.7
150.03337	0.8
151.02924	1.3
151.04161	1.5
159.55376	0.5
162.91380	0.6
163.02855	0.9
164.03535	8.6
166.02881	0.7
178.05258	1.9
178.83061	0.5
179.03665	0.8
183.01808	0.5
191.02361	0.5
199.98969	0.7
231.17543	0.7
249.18752	1.5
261.18451	0.6
265.18130	1.1
275.20245	0.9
277.18027	7.8
278.18826	9.6
278.21582	0.7
279.19565	8.3
280.20096	0.7
290.17657	1.2
291.18729	1.1
292.19196	9.6
292.51736	0.6
293.19772	0.7
302.21259	0.8
304.19189	18.5
305.19812	7.9
306.20496	1.1
306.86505	0.6
315.75018	0.5
317.17480	1.4
318.20828	1.6
319.18967	0.9
319.22720	0.7
320.22290	100.0
321.22632	8.9
328.19159	1.1
335.22360	0.7
346.20169	1.8
363.18036	7.9
363.22705	60.8
364.18524	1.1
364.23016	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	363.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32335	4.0
63.06600	3.7
69.64169	15.4
72.66517	3.9
75.29798	3.9
96.26813	3.6
108.02179	4.7
109.02967	6.7
110.99166	4.2
122.03744	4.6
123.00909	6.7
123.04529	42.5
137.02435	15.9
151.04028	24.8
165.05539	6.9
173.99886	3.9
275.20126	14.0
289.21875	7.8
303.19583	27.1
317.21298	7.2
318.22061	18.6
319.19107	5.8
321.19992	6.8
321.24280	4.4
333.24335	41.4
334.24518	5.8
363.25403	100.0
364.25650	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	363.2538
Annotation	19-Acetylvillenolone
Peak:m/z	Relative Intensity
55.01868	2.9
60.35767	1.0
69.64938	2.3
69.65332	1.8
78.73852	0.9
109.02955	1.9
110.03733	6.3
122.03727	3.7
123.04521	100.0
124.04810	1.5
124.05362	1.2
125.02438	2.2
137.02426	19.2
137.06117	2.4
138.03206	5.5
139.04025	1.8
151.04005	50.8
152.04802	7.7
165.05568	10.3
165.09204	1.0
168.04230	0.9
179.07138	1.0
179.10794	1.7
184.72411	0.8
193.08649	3.3
193.12344	5.2
197.05919	0.8
207.10213	1.3
219.13960	0.9
221.11833	4.8
247.17061	2.8
275.16602	3.6
275.19952	4.2
289.18533	1.7
289.21701	17.6
290.22186	2.2
303.19696	12.5
303.23221	2.1
304.19940	1.2
316.20569	1.0
317.21167	16.4
317.68619	0.9
318.21994	34.5
319.22336	3.2
333.21185	1.1
333.24307	70.6
334.24579	6.3
363.25403	92.9
364.25729	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	363.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07886	0.4
59.26929	0.4
60.39772	0.3
65.03947	0.4
70.33469	0.7
81.03451	0.5
83.61547	0.3
93.03459	0.8
98.03776	0.4
108.02210	2.3
109.02977	1.7
116.97262	0.6
119.03194	0.4
121.02934	0.9
122.03735	100.0
123.04029	2.9
124.01636	1.1
125.02435	1.6
126.03228	2.9
136.01653	1.6
137.02524	3.1
137.06078	73.9
138.06392	3.2
151.04001	3.4
153.01923	0.7
154.02698	4.4
178.62939	0.4
190.74136	0.4
223.10297	0.4
225.18596	0.4
320.23041	1.1
363.25409	20.4
364.25638	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	363.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50038	0.8
69.50415	0.6
73.45539	0.4
81.03448	1.0
88.54945	0.3
98.03716	0.3
98.22790	0.4
99.08187	0.4
108.02164	2.4
109.02940	1.4
113.04855	0.3
122.03732	100.0
123.04012	3.3
124.01664	0.9
125.02414	1.9
126.03249	1.6
130.14322	0.3
136.01669	0.9
137.02521	2.8
137.06076	93.9
138.06403	3.4
142.87564	0.4
151.04016	2.7
154.02695	1.9
155.10783	2.5
192.00668	0.3
225.18596	3.5
320.23080	0.8
345.24301	0.9
363.25394	36.2
364.25690	4.1
381.88461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02966	0.2
55.01872	0.4
60.22887	0.2
65.00314	0.5
69.47620	0.5
69.48022	0.6
81.03457	26.9
82.03794	0.5
95.05031	1.3
98.22607	0.4
104.47962	0.2
107.05030	0.8
109.02965	0.9
122.03744	2.1
123.04459	0.3
135.04512	0.3
137.06085	100.0
138.06419	3.9
165.82907	0.2
231.54123	0.2
363.25415	20.1
364.25729	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	363.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04567	1.1
59.01376	2.4
67.56144	1.1
75.92706	1.1
85.06610	1.4
90.14310	1.2
95.05038	1.4
98.22638	3.7
128.54871	1.2
137.99594	1.3
147.48242	1.5
154.72044	1.3
155.31853	1.2
169.52444	1.3
171.35268	1.2
195.17540	1.9
214.27164	1.2
237.18796	1.2
249.18489	2.6
270.99133	1.4
277.18069	23.7
279.15994	4.8
333.24304	3.5
345.24069	1.4
352.19318	1.3
361.23834	6.2
363.17874	2.8
363.25394	100.0
364.25711	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	363.254
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
61.54012	0.7
69.64531	2.8
72.56088	0.7
93.03453	0.8
95.01350	1.6
96.01643	1.0
98.22662	1.0
108.02159	4.5
109.02884	0.9
121.02927	2.0
122.03644	0.7
123.00894	8.3
124.01212	5.2
125.01276	3.1
137.02408	3.7
138.03081	2.7
139.02872	1.0
150.03218	1.8
151.03912	1.5
165.01900	3.2
166.02237	2.5
167.02333	2.3
260.66446	0.8
264.33755	0.8
277.21719	32.3
278.22061	3.0
290.22491	4.4
291.23093	1.7
303.23187	1.3
305.21207	100.0
306.21677	15.2
316.86594	0.7
319.93735	0.9
320.23502	20.4
321.24191	6.9
331.22610	1.4
332.23331	1.3
333.24371	4.1
348.22559	2.0
363.25137	77.0
364.25616	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	363.2539
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01888	0.9
57.03437	1.0
59.01371	0.5
60.64600	0.4
61.98838	0.7
66.88428	0.4
67.01863	0.6
68.99808	0.7
69.03467	0.6
69.50999	1.0
69.51394	0.8
71.05016	1.1
79.05518	3.2
81.03461	1.8
83.05028	1.8
85.02937	4.7
93.03471	0.8
94.04219	0.6
94.31953	0.4
97.02953	6.4
97.06575	0.5
99.92571	0.5
104.10193	0.4
104.33295	0.4
104.49535	0.4
106.04207	0.5
107.05025	3.7
108.02227	0.5
109.02951	6.5
109.06590	5.0
110.03792	2.4
111.04528	5.8
116.97248	0.7
122.03737	1.2
123.00959	0.5
123.04518	13.1
125.06074	3.5
134.03680	0.4
135.04514	3.0
136.05315	0.8
137.02425	7.4
138.03236	2.1
139.04077	0.5
151.03993	11.8
152.04660	0.8
153.05566	18.6
154.05899	0.8
175.04025	0.6
176.04727	0.5
179.03490	1.3
180.04285	1.5
209.15416	0.4
225.22246	1.4
227.20145	0.8
261.22205	1.9
263.20300	0.6
265.14453	0.7
279.15961	1.0
279.23312	1.1
289.25363	0.6
291.19800	0.7
293.17685	0.6
293.24789	0.5
294.17984	0.6
301.25519	0.6
304.23950	0.8
309.71701	0.5
317.24832	3.1
319.19073	4.1
319.22430	0.7
319.26392	0.8
320.19818	1.0
321.23505	0.6
327.07318	0.6
333.24460	0.8
335.25885	9.1
336.26331	1.0
345.24316	7.8
346.24402	0.7
363.17914	2.8
363.22095	6.1
363.25418	100.0
364.21967	0.7
364.25781	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	363.2538
Annotation	11-deoxy-16,16-dimethyl-PGE2
Peak:m/z	Relative Intensity
58.75647	1.6
69.98972	4.8
89.08316	1.5
109.02943	2.4
110.03742	3.6
125.02436	2.9
135.29073	1.4
137.02425	2.8
138.03229	7.5
151.60905	1.5
166.02681	4.5
167.48366	1.5
180.04161	2.3
211.64362	1.5
323.56995	1.8
335.25952	5.4
363.25381	100.0
364.25879	10.5
376.07767	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	364.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41748	0.6
59.62020	0.6
61.32843	0.6
61.98827	100.0
69.52007	1.1
69.52395	1.4
93.32604	0.6
98.22596	1.2
122.28274	0.8
139.03510	0.7
190.02847	0.7
192.00624	8.4
193.01004	4.9
194.02266	1.6
207.02975	4.9
208.03371	2.3
222.01634	0.7
234.01740	2.5
249.04053	0.8
291.19446	0.8
312.04813	1.3
313.05167	1.4
327.07245	7.6
328.07474	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	364.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.8
60.37289	1.1
61.98828	12.7
69.50488	2.2
69.50859	3.0
95.01391	4.4
96.02158	1.4
98.21963	2.5
98.25181	1.0
103.02776	0.9
109.02966	3.6
110.00108	1.3
111.00906	0.9
118.00458	1.0
123.00887	33.0
137.02440	12.5
151.00360	1.3
161.15321	1.0
163.75075	1.2
164.52126	0.9
165.01930	15.9
166.02390	1.7
179.07169	2.0
193.88475	1.0
209.05363	1.0
236.14124	5.4
264.13629	8.5
279.16006	100.0
280.16278	8.0
282.94894	1.1
322.24570	1.3
357.18652	1.2
363.28876	2.0
364.13983	7.6
364.21811	4.8
364.29248	3.9
365.19617	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	364.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
61.98817	2.8
69.21212	0.6
71.46683	0.7
80.30238	0.6
91.72826	0.7
109.03020	1.0
110.03725	2.8
123.00861	3.2
125.02453	1.1
125.04507	0.9
137.02448	3.6
137.64262	0.6
138.03221	6.9
143.51176	0.7
165.01871	0.9
166.02705	3.8
179.03551	0.9
180.04230	2.1
189.80966	0.6
198.01567	1.1
228.59357	0.7
236.14069	1.2
251.16473	6.2
279.15994	100.0
280.16379	9.6
363.29031	3.0
364.13577	2.6
364.21808	2.1
364.25479	1.7
364.29178	5.3
365.14209	0.8
365.19522	1.3
365.23468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1765
Annotation	Neosenkirkine
Peak:m/z	Relative Intensity
58.02984	3.8
59.01387	3.0
75.00873	1.0
76.18687	0.6
84.89960	0.7
87.00925	0.5
93.07077	0.6
95.05051	2.0
98.02484	3.1
98.22653	1.7
99.00864	0.7
105.12463	0.6
106.66219	0.8
109.02929	1.7
110.06129	2.6
116.07126	1.2
118.05103	21.1
118.05906	1.3
119.08653	0.6
121.06621	1.1
125.06086	7.9
135.08162	1.2
136.05267	4.4
138.06889	1.3
138.09285	1.4
139.07698	1.7
148.05299	2.2
149.06085	2.8
151.07680	3.5
152.08403	1.8
153.09195	1.5
159.11794	1.0
161.09700	1.7
163.07639	3.3
163.11292	1.6
165.09183	1.2
168.10277	1.0
175.07654	0.7
177.09143	0.8
177.12828	1.2
185.09726	1.0
187.11284	1.1
188.08459	1.6
189.09262	1.5
191.10771	0.8
201.09064	0.8
201.12868	11.6
202.09970	1.5
202.13203	0.8
203.10750	12.1
203.14438	2.2
204.11562	6.6
217.12369	0.9
219.13896	15.4
220.14343	0.8
230.09540	2.7
237.06178	0.8
245.11818	8.0
272.16653	0.7
273.89380	0.7
302.17551	1.5
305.16199	3.5
320.18674	6.3
346.16531	4.5
349.50287	0.8
364.17651	100.0
365.18005	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	365.018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01878	0.9
57.03439	1.0
59.01376	2.3
64.86446	0.8
69.22622	1.8
69.23032	3.4
69.58479	0.9
71.01373	3.1
72.99290	2.2
78.95914	1.2
79.95738	2.7
80.96502	2.8
85.02965	4.7
87.00854	6.5
96.96008	89.7
100.74662	0.9
108.02186	11.5
109.02948	47.1
110.03292	1.1
111.00878	3.9
113.02445	1.7
122.97633	1.0
123.04508	6.0
138.97049	0.9
145.38988	0.9
151.04036	1.0
152.01154	19.2
153.01933	95.4
154.02267	3.3
158.81282	1.0
167.03490	23.5
168.03809	1.7
190.02644	1.0
191.01981	3.4
192.00636	8.3
193.01343	1.5
207.03003	5.7
210.99181	25.9
228.97430	2.2
234.01756	2.3
249.03882	1.4
262.48380	1.1
267.07239	4.4
285.06155	100.0
286.06470	5.9
312.04794	1.8
321.02890	3.7
327.07080	6.5
329.08542	2.8
347.00784	34.9
348.01236	4.5
365.01797	72.9
366.02225	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	365.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43791	0.8
59.01361	1.2
64.59197	0.9
69.44624	3.0
86.93075	0.9
96.96007	3.6
109.02956	5.4
124.21137	1.0
128.41208	0.8
138.03215	1.1
153.01950	9.2
161.02396	1.8
162.03217	2.5
164.01118	4.0
165.01671	1.1
166.02718	2.5
177.01935	1.9
178.02722	2.6
190.02684	6.4
192.00633	85.6
193.01349	16.1
194.02354	13.3
195.02574	1.0
202.45296	0.9
205.01357	4.8
206.02182	5.8
207.02974	52.4
208.03265	3.9
209.03418	1.6
221.00874	2.3
222.01671	4.7
234.01666	20.4
237.04018	4.5
249.03973	10.4
285.06137	10.2
312.04822	15.1
313.05212	1.2
314.05316	1.2
327.07172	100.0
328.07547	7.2
329.07651	9.5
365.01617	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	365.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43791	0.8
59.01361	1.2
64.59197	0.9
69.44624	3.0
86.93075	0.9
96.96007	3.6
109.02956	5.4
124.21137	1.0
128.41208	0.8
138.03215	1.1
153.01950	9.2
161.02396	1.8
162.03217	2.5
164.01118	4.0
165.01671	1.1
166.02718	2.5
177.01935	1.9
178.02722	2.6
190.02684	6.4
192.00633	85.6
193.01349	16.1
194.02354	13.3
195.02574	1.0
202.45296	0.9
205.01357	4.8
206.02182	5.8
207.02974	52.4
208.03265	3.9
209.03418	1.6
221.00874	2.3
222.01671	4.7
234.01666	20.4
237.04018	4.5
249.03973	10.4
285.06137	10.2
312.04822	15.1
313.05212	1.2
314.05316	1.2
327.07172	100.0
328.07547	7.2
329.07651	9.5
365.01617	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	365.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
59.01373	0.2
59.89591	0.2
61.32830	0.2
61.98823	0.2
66.72904	0.2
69.69304	0.3
69.69684	0.3
97.15303	0.2
109.02951	1.5
110.03731	3.3
115.18736	0.2
116.92893	0.3
117.05116	0.2
123.00869	0.4
125.02460	1.5
137.02452	1.9
138.02205	0.4
138.03236	7.6
142.02708	0.8
153.01974	0.3
165.01933	0.6
166.02713	4.9
167.03366	0.3
179.03494	0.8
180.04269	2.1
198.01665	0.9
255.09061	0.2
261.18652	0.3
279.19644	8.8
280.19986	0.8
289.17911	0.3
307.19131	100.0
308.19476	9.8
351.81024	0.2
365.15045	2.5
365.19464	0.4
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
55.86443	0.6
57.03444	0.6
58.00572	0.8
59.01381	48.4
60.01695	0.6
61.88449	0.6
61.98826	0.8
71.01009	0.9
71.01386	15.2
72.99277	0.7
73.02932	1.4
74.02442	0.8
83.01378	2.1
85.02959	4.8
86.02475	1.4
87.00875	1.3
89.02451	13.0
95.01375	1.7
96.96011	8.7
98.76280	0.6
101.02441	11.5
112.00401	1.3
113.02443	4.9
117.03439	0.9
119.03529	5.6
119.05008	5.5
127.11284	2.5
128.96063	0.6
132.04538	2.6
143.03493	0.8
144.04578	1.5
145.02969	5.8
153.01878	0.8
155.10854	1.5
157.07768	3.0
157.12347	13.1
158.06113	0.9
158.08063	0.8
161.04556	0.9
171.13892	0.9
175.08701	1.0
184.95631	0.8
185.11853	1.5
187.13382	1.3
188.07056	0.7
199.13383	1.4
203.12872	39.5
204.13245	1.8
219.07713	5.5
245.13966	1.5
289.10950	0.9
327.07333	0.8
352.37524	0.6
365.18146	100.0
366.11404	0.8
366.18436	7.8
371.95425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1971
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
59.01379	2.4
61.98824	2.7
74.84223	0.9
109.02947	3.1
110.03713	3.2
118.96983	1.2
123.00887	2.8
125.02485	1.8
130.31105	1.0
137.02405	2.2
138.03223	8.8
139.03986	3.0
151.03993	2.7
153.01868	1.0
154.90654	0.9
155.89662	1.1
166.02687	4.9
179.03482	5.1
190.81084	0.9
193.05063	1.5
198.01738	1.1
201.02538	2.8
219.17522	1.9
225.05211	1.1
236.10556	1.1
279.12308	1.6
280.13196	1.0
281.17563	3.1
337.20288	8.1
337.23788	1.9
338.20593	1.5
347.18652	3.2
365.19617	100.0
366.19946	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	365.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32325	0.3
82.18474	0.3
82.39301	0.3
95.76403	0.3
101.64312	0.3
123.00875	2.9
124.01684	0.4
137.02434	0.6
139.04001	2.0
165.01913	2.1
166.02652	0.5
167.03487	9.8
168.04288	0.5
181.05113	1.0
230.74774	0.3
237.80269	0.3
240.80148	0.4
279.19553	0.7
307.15454	0.7
307.19128	26.7
308.19901	100.0
309.20242	9.3
333.20755	1.0
350.20959	11.9
351.21066	0.7
365.23264	15.8
366.23676	1.7
386.05109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2332
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
59.01377	2.4
61.98830	9.0
68.54954	1.8
69.03443	1.8
71.05019	14.6
72.56949	1.7
83.05036	2.8
116.97244	2.1
118.96970	2.1
127.00345	7.5
142.45776	1.7
179.83841	2.0
188.50990	1.8
219.80893	2.2
233.04236	1.9
265.25366	100.0
266.25653	7.7
277.25250	2.5
293.24789	9.3
303.23291	2.5
321.24319	57.9
322.24631	7.7
365.23480	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	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.2
59.01390	16.9
59.21895	3.1
60.47791	2.6
61.98825	11.2
69.03456	81.6
69.62545	4.0
69.68678	8.1
69.69065	5.7
71.05006	7.0
73.02979	3.7
81.03455	28.1
81.85300	3.5
84.02161	15.0
85.02920	5.0
97.02942	64.8
99.04521	68.5
108.13445	3.8
118.96925	3.4
119.94704	6.2
122.03722	20.7
127.00371	17.3
137.02469	6.7
139.67575	3.3
141.01930	5.2
142.35628	3.7
162.19493	3.1
190.50735	4.0
209.15424	5.5
223.20657	5.3
259.24200	4.0
261.22238	24.0
275.23773	18.0
277.21561	4.5
277.25381	15.2
279.23297	34.4
303.23248	100.0
304.23639	9.1
321.24326	57.8
365.19434	14.5
365.23245	47.0
365.26935	5.3
366.23672	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	365.2332
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
57.03440	12.6
60.60494	4.2
61.98827	4.5
69.03446	4.4
69.39837	13.7
77.52102	4.4
79.80788	3.9
80.02666	9.0
81.03471	8.1
83.01383	12.8
83.05017	4.9
84.02142	6.7
85.02956	14.3
88.35243	4.2
88.39260	4.6
96.99318	11.4
98.22688	3.9
99.52274	4.1
108.02193	20.3
111.00887	85.1
112.01666	9.3
113.02448	14.4
122.03755	7.5
125.02434	5.4
131.85498	4.2
161.87759	3.8
235.20695	6.5
253.21698	20.8
261.22223	35.0
275.23758	8.5
277.18481	4.6
277.21854	20.4
285.71176	5.2
289.21735	95.5
290.22043	7.9
291.23245	8.9
293.24847	44.6
306.21948	71.5
307.22440	4.5
321.20834	9.0
321.24298	100.0
322.21384	21.5
322.24725	14.5
323.22101	11.6
335.22253	35.9
338.20999	9.2
365.23285	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	365.233
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
54.35818	1.0
57.03446	11.0
59.01368	4.1
61.98827	3.6
69.03434	3.7
73.75565	1.1
98.03717	1.8
101.60688	1.2
108.02158	1.3
127.00353	7.5
228.18759	1.1
249.22212	3.8
251.23672	1.3
252.16687	1.4
259.20615	1.1
265.25348	100.0
266.25702	8.5
293.24875	20.9
294.25299	2.2
297.24213	1.8
303.23032	1.7
321.24332	51.1
322.24677	5.8
327.07068	1.2
337.23929	1.7
365.10764	2.6
365.23288	73.2
366.23685	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	365.233
Annotation	Betaenone A
Peak:m/z	Relative Intensity
55.81781	1.2
57.03444	4.7
59.01364	2.3
61.98859	1.5
65.03978	1.8
67.01883	2.0
68.33811	1.3
69.45184	6.2
73.28418	1.5
95.01395	3.3
109.02958	4.7
111.04558	1.8
125.87344	1.6
137.02425	3.8
151.67763	1.5
171.10222	3.5
184.31042	1.4
194.38876	1.8
234.01863	1.7
245.19240	1.8
261.22162	2.3
263.20190	3.8
275.20178	5.4
285.22232	1.8
287.20132	2.9
289.18140	5.0
293.21155	2.9
303.23166	2.4
305.21161	9.1
307.19110	17.6
321.24225	4.5
329.21307	12.7
347.22284	15.4
365.23322	100.0
366.23651	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	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.52830	0.2
54.08032	0.2
55.01873	2.1
58.00585	1.1
69.85693	0.8
80.80821	0.2
83.76794	0.2
85.06586	5.0
95.05013	1.3
95.68867	0.2
113.06046	0.7
115.07650	2.4
132.18730	0.2
136.05301	1.3
192.74529	0.3
205.19623	0.4
249.18617	2.8
261.18570	0.6
269.76242	0.3
271.41815	0.2
274.99197	0.3
277.18066	7.2
277.21078	0.4
278.18387	0.7
307.19113	2.8
316.49384	0.3
329.00629	0.5
329.24765	1.3
333.24222	0.5
345.24167	0.5
347.25870	2.1
352.31073	0.3
361.23892	1.6
363.25400	9.8
364.25693	1.0
365.26926	100.0
366.27277	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.66243	0.3
55.01656	0.3
55.01876	2.5
58.00585	0.7
59.01372	2.0
61.98812	0.6
63.65526	0.3
66.94654	0.3
67.18727	0.3
70.33845	0.6
70.34190	0.3
78.95894	0.4
80.05168	0.3
81.03471	1.5
83.05003	0.5
85.06582	4.4
95.01362	0.6
95.05023	2.0
97.06570	0.4
99.08198	0.3
104.24232	0.3
104.70703	0.3
107.05123	0.3
113.06104	0.4
115.07668	1.9
123.00868	2.5
136.05283	1.3
137.02455	0.6
137.06073	5.5
151.00267	0.3
165.01888	1.8
168.45821	0.3
193.15964	0.5
233.19077	0.5
249.18550	3.2
261.18506	1.2
277.18060	11.7
278.18350	0.9
305.17822	0.4
305.21100	1.7
306.18292	0.4
307.19138	2.5
329.24857	2.2
333.24438	0.7
335.25751	0.4
345.24359	0.9
347.25867	3.4
348.26175	0.3
350.17337	1.1
361.23773	1.8
363.25375	14.9
364.25620	1.6
365.20258	7.7
365.26904	100.0
366.19995	0.8
366.27267	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
57.70733	0.4
58.00589	0.9
59.01377	0.8
61.98820	1.3
62.06543	0.4
70.72708	0.4
70.92988	0.7
78.01111	0.5
85.06586	5.9
92.86803	0.4
96.96001	0.4
97.06545	0.6
109.02976	0.5
113.06085	0.6
115.07645	3.8
122.03737	14.0
122.04625	0.8
130.26454	0.4
135.04521	2.7
136.05313	0.5
149.06110	0.8
163.07640	1.4
177.09082	0.8
200.94490	0.5
221.19130	0.9
227.26123	0.4
240.68073	0.4
245.19104	1.8
247.16972	0.5
249.18588	3.0
261.18594	1.5
263.16470	2.6
265.14636	0.4
277.18082	14.5
277.21109	0.9
278.18378	0.9
307.19150	3.3
329.24738	2.2
333.03018	0.4
333.24301	1.4
334.24759	0.5
345.24243	0.5
347.26019	1.7
361.23914	2.2
363.25394	11.2
364.25766	1.0
365.19534	4.1
365.26947	100.0
366.22742	0.6
366.27283	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
57.06706	1.8
61.98823	2.6
70.66495	3.3
71.62234	1.9
95.46175	2.0
106.55095	2.1
108.65672	2.1
110.03698	2.3
114.51176	2.2
123.04527	61.6
125.02412	2.0
137.02452	12.0
138.03183	3.5
151.04004	27.3
152.04767	3.2
164.05325	2.0
165.05518	5.7
207.10286	3.0
291.23309	6.9
305.21228	7.5
319.22769	8.9
320.23532	23.0
335.25879	55.2
336.26236	4.4
365.26944	100.0
366.27380	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	365.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03130	19.3
54.78555	16.6
57.37651	17.9
58.69602	21.8
59.01394	20.7
61.98832	26.5
83.05038	27.9
96.88136	23.1
111.04527	32.1
127.00359	100.0
216.12209	18.7
265.06033	19.6
277.21713	54.4
289.19949	52.9
295.21112	43.9
305.17569	24.7
309.17081	55.3
337.23740	22.4
347.04132	21.8
365.19489	72.6
365.23315	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
69.55367	0.7
71.01384	0.4
73.02950	0.3
85.02943	0.2
88.85517	0.2
96.95998	0.2
102.83086	0.2
113.02432	0.3
116.05058	3.6
117.05538	0.5
127.00024	0.2
132.04543	0.4
146.72202	0.2
152.01108	0.4
159.03249	0.7
160.04036	100.0
161.04373	4.8
193.01038	0.3
204.03003	4.1
235.02155	0.2
249.06203	0.6
280.37683	0.2
285.06110	0.2
328.07593	0.4
346.57715	0.2
366.08276	17.1
367.08575	1.4
367.12561	0.5
387.93219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73640	0.9
59.01377	24.5
61.98819	4.1
71.01385	7.2
78.95940	0.9
83.01389	1.0
85.02946	2.8
86.00093	3.0
87.00876	13.2
89.02443	5.7
96.96003	3.9
99.00870	1.0
101.02467	4.6
108.02203	2.5
109.02920	1.7
111.00869	1.6
111.02147	0.9
113.02451	3.8
114.79211	0.9
115.03967	1.3
116.50428	0.9
119.03491	2.7
121.05304	1.2
122.06125	23.8
125.02433	4.1
127.45709	1.0
129.01888	1.6
134.06108	2.5
135.03250	2.7
136.07678	12.2
138.05569	1.3
146.06110	1.2
146.50487	1.0
148.07690	1.2
150.05609	79.3
151.05948	3.7
152.01157	1.4
152.07182	7.4
153.01802	2.3
161.04660	1.6
162.05602	3.1
164.07133	2.0
166.01152	1.3
167.03482	3.2
168.00578	1.3
168.03809	1.5
168.06665	1.3
169.01411	7.5
174.05582	1.6
175.06377	3.8
176.07198	6.3
183.51297	1.0
186.07652	1.5
187.06084	2.9
192.00653	4.5
192.06671	2.1
192.95738	1.1
193.01021	6.5
194.01920	1.1
194.08177	3.2
204.06638	2.7
207.02995	1.6
208.02026	1.5
208.03487	2.7
222.07697	2.5
234.00130	6.5
235.01740	1.3
241.03416	2.0
247.99594	1.1
248.72514	1.1
250.04437	1.4
252.08684	1.7
271.04510	1.4
285.06229	1.3
307.10178	1.2
307.13794	1.4
312.10892	36.9
313.05228	2.0
313.11224	2.0
328.07571	12.0
330.11942	100.0
331.06787	7.5
331.12396	8.1
348.01044	1.4
354.68997	1.1
366.02115	1.7
366.14001	2.7
367.05328	5.6
367.12613	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	366.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	0.4
59.01365	2.5
61.98826	100.0
69.15789	2.8
71.01363	0.7
72.70862	0.5
72.99297	0.6
89.02436	0.5
92.86727	0.4
97.06573	0.4
103.23830	0.4
109.99951	0.5
117.01952	0.6
142.99863	0.8
149.06078	0.5
159.29015	0.4
162.07964	0.5
172.70459	0.5
173.00887	1.1
174.01755	0.7
225.07773	0.9
293.59210	0.5
316.78357	0.6
344.48111	0.4
367.13913	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	366.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98521	0.3
69.03426	0.2
70.23185	0.5
77.28247	0.2
77.75508	0.2
89.76775	0.2
148.94470	0.2
189.73586	0.2
209.19156	0.3
226.33311	0.2
237.18666	0.8
242.72414	0.2
246.41463	0.2
263.16565	0.2
281.17578	7.4
282.18048	0.7
305.21384	0.3
366.15332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84425	1.9
59.01372	4.0
61.98829	6.5
71.45243	2.3
80.87925	1.9
82.95438	2.1
84.95102	3.0
116.16642	1.9
125.99581	7.1
139.00476	2.2
153.18092	2.1
281.17560	100.0
281.90054	2.1
282.17868	9.0
307.19135	8.5
321.20688	4.8
349.20114	15.2
366.09924	5.8
366.14838	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	366.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	25.3
61.98824	23.7
64.99837	8.3
66.64952	9.4
69.74981	29.5
90.00478	8.0
98.22663	8.1
99.62346	8.0
119.94745	9.2
141.01935	45.9
174.99199	9.4
192.95804	10.5
202.98738	15.8
208.93135	10.2
217.00302	15.8
265.14465	12.0
305.21201	12.1
319.22800	100.0
320.23050	77.0
321.20575	9.5
349.20093	41.3
370.81467	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	366.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58903	1.0
57.52286	1.1
61.83519	1.0
61.98802	1.3
65.80625	1.2
82.06625	1.4
94.02927	1.1
96.00916	1.6
105.63140	1.1
108.26380	1.0
108.34929	1.2
119.76608	1.0
123.00876	2.7
124.00397	27.5
124.04066	1.1
125.01189	18.8
130.48628	1.1
137.91147	1.0
138.01903	1.1
139.02809	2.2
141.38321	1.1
152.03442	1.3
193.03755	1.8
195.17537	1.8
209.19080	1.2
211.04874	1.3
217.00247	1.3
236.20183	1.5
252.19560	5.5
253.17955	1.4
263.16449	1.1
268.16357	2.5
278.24918	2.5
280.19183	54.6
281.19516	4.4
304.22830	1.6
310.26962	1.2
320.22302	3.1
322.23914	4.9
338.23239	2.0
348.21765	43.9
349.22128	4.1
362.52713	1.2
366.22839	100.0
367.23148	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	366.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20109	0.6
59.01345	1.3
60.54358	0.7
61.98820	3.8
69.48351	3.1
88.92306	0.7
90.69318	0.7
90.97083	0.7
91.05499	1.7
91.24517	0.7
102.03478	1.1
104.05013	0.9
111.74469	0.6
118.02992	0.7
120.04579	1.4
128.44043	0.8
132.04552	1.4
146.06093	2.9
148.07686	48.3
149.08037	1.0
151.55350	0.7
174.99272	0.9
192.95792	1.0
210.00090	0.8
217.00186	1.7
226.68358	0.7
302.57385	0.7
305.21109	1.1
307.19092	1.1
349.20245	1.8
366.24323	100.0
367.24698	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	367.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
59.01375	2.2
61.98836	1.2
65.00321	3.3
69.32689	1.8
69.33099	3.1
72.79586	0.9
79.83083	0.9
80.96519	2.5
81.03457	3.1
81.19885	0.8
83.01381	5.7
89.65878	0.8
93.03446	5.8
95.94921	0.8
96.96009	41.7
98.22628	2.0
103.45939	0.9
107.01385	4.4
109.02950	1.7
114.33366	0.9
121.02959	3.2
123.00906	1.1
124.01676	2.6
125.02446	44.5
131.04999	0.9
133.02946	1.2
137.02487	1.9
139.64737	0.9
145.25838	0.8
151.00368	13.2
152.01154	14.1
153.01843	1.0
157.06635	1.0
159.04466	1.1
165.01918	8.7
172.05316	2.3
173.06094	5.5
175.03926	1.4
177.05580	4.2
178.99886	2.8
180.00739	2.5
185.24471	0.9
187.07570	1.0
199.04033	1.1
199.07556	1.1
200.04915	1.0
201.05563	4.2
215.07060	9.1
216.07640	0.9
241.02667	0.8
241.04994	4.2
243.06593	6.3
259.06107	95.9
260.06473	6.3
269.04578	3.2
287.05609	100.0
288.05975	7.4
367.01270	12.0
368.01639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77138	0.5
57.03441	3.2
63.02379	0.6
64.78491	0.5
65.00323	3.6
69.31634	2.2
76.53563	0.5
77.76146	0.6
79.95728	0.7
80.96493	1.7
81.03461	2.6
83.01379	6.8
93.03465	2.9
96.02152	0.9
96.96016	10.2
107.01389	4.2
109.02922	0.8
121.02911	0.7
123.00886	0.7
123.04507	0.9
124.01677	3.7
125.02447	40.8
126.02762	0.7
131.05008	1.0
133.02937	1.8
135.04559	0.7
151.00365	14.0
152.01154	17.4
153.01805	0.7
156.05780	0.9
157.06644	1.2
158.03700	1.1
159.04460	0.9
165.01933	2.5
172.05298	1.9
173.06084	7.3
175.03978	1.8
177.05547	4.3
178.99768	3.5
180.00644	3.4
187.07593	0.7
197.06076	0.7
199.03984	0.7
199.07625	1.6
200.04810	1.0
201.05597	3.1
205.05096	0.8
213.05615	1.0
215.07120	8.8
216.07401	0.6
241.05110	1.7
243.06651	5.4
244.07091	0.7
259.06097	88.7
260.06439	5.4
269.04520	1.7
285.04114	1.0
287.05603	100.0
288.05930	7.4
367.01300	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	367.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09195	0.6
55.87651	0.7
58.15261	0.7
59.01373	7.3
60.87045	0.6
61.98827	26.5
69.11395	4.2
71.01382	3.1
71.04982	0.8
72.46577	0.6
75.00870	2.6
81.03460	0.8
85.02939	1.7
87.00858	1.0
87.04488	0.7
89.02436	1.4
96.12219	0.6
101.02418	1.6
106.39036	0.7
108.02167	53.4
109.02975	11.5
113.02429	2.1
117.05560	3.9
123.04524	2.0
125.02466	1.2
125.13451	0.7
141.26555	0.6
151.04074	1.3
152.01144	49.8
153.01927	29.6
154.02251	1.1
161.04462	0.7
163.03986	1.9
165.01965	1.2
166.01237	1.5
186.69698	0.6
191.99098	1.6
193.01222	0.8
194.01009	0.8
208.02219	5.4
234.00169	8.2
234.93422	2.4
235.00485	1.4
249.06152	5.1
285.06137	100.0
286.06494	6.2
299.07620	0.8
305.06622	1.7
307.04346	3.1
307.13989	1.2
329.07751	2.2
367.05383	8.1
367.12369	3.1
367.98352	2.0
368.05453	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	367.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52037	1.1
57.03431	2.9
59.01379	72.6
61.85235	0.9
61.98835	6.3
68.99801	1.1
69.03441	1.5
71.01005	1.8
71.01377	20.6
71.03177	1.2
72.99303	5.5
73.02931	5.6
75.00874	18.0
85.02948	24.5
87.00877	7.0
88.58440	1.2
89.02438	6.8
89.38989	1.0
91.04019	1.3
95.01395	6.8
99.00875	12.0
99.04517	2.5
101.02451	3.5
103.00371	3.8
108.02190	2.4
109.03003	1.7
110.21544	1.2
111.00867	1.6
113.02441	29.2
113.37467	1.1
115.00352	1.5
115.10164	1.0
117.01943	3.1
117.05580	43.5
125.02457	2.8
127.20744	1.1
129.01930	2.6
129.17662	1.1
153.01927	1.2
160.04001	7.7
161.04431	8.8
169.01410	4.8
175.02499	2.4
189.04123	1.3
205.07170	1.7
231.05096	3.8
241.03471	2.0
249.06126	60.5
250.06612	2.9
259.95853	1.0
267.07141	6.2
285.06305	3.4
291.07300	1.2
309.08304	9.2
331.06686	3.7
349.11484	4.8
367.12442	100.0
368.12759	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	367.1395
Annotation	Drosopterin
Peak:m/z	Relative Intensity
51.72629	0.8
56.11358	0.7
59.01377	7.2
62.63695	0.7
69.03462	2.6
71.01373	3.3
71.44814	1.2
72.99305	1.4
75.00885	1.4
78.19264	0.8
78.31594	0.7
79.44357	0.8
83.05037	1.6
93.03463	0.9
95.05023	2.5
96.95991	1.5
97.06613	0.8
99.00873	21.1
108.02191	2.4
111.00906	1.4
112.01656	1.5
115.00377	2.2
121.02979	1.6
123.00871	1.1
124.98753	1.3
136.01669	1.7
137.05981	0.8
140.01163	4.6
147.11777	0.9
149.81230	0.7
150.03297	1.0
153.09135	1.0
156.00616	2.0
163.03993	3.1
164.04781	4.3
167.06190	1.1
175.03951	1.3
177.05602	5.1
177.12849	1.0
189.12820	1.3
191.03551	1.1
191.14511	1.1
192.04192	1.9
201.12872	1.4
205.12344	1.9
207.13858	2.8
217.12228	1.7
219.13795	1.1
223.13428	3.4
231.13948	1.1
233.11760	1.4
235.13315	0.9
245.11739	1.3
247.13548	1.0
249.14862	1.9
251.12863	1.5
261.11279	2.6
261.14890	1.7
263.12900	1.8
277.14395	1.1
278.11548	1.2
279.12445	9.5
286.61545	0.9
287.12711	1.1
289.10858	3.1
293.13690	1.7
305.13867	2.7
307.11850	24.0
309.13541	1.0
337.12933	3.1
349.12964	6.1
367.13962	100.0
368.14340	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.4
60.67495	0.5
68.88545	0.5
69.03465	0.9
69.87994	0.9
69.88301	0.6
71.01379	0.6
79.05524	0.4
83.01385	0.5
93.03460	1.3
95.05025	15.9
96.05375	0.6
97.06588	12.7
98.21893	0.6
107.05048	1.6
108.02136	0.7
111.00858	0.8
113.02333	0.5
119.05018	0.8
121.02948	1.1
121.06579	3.3
122.03757	2.7
123.00945	0.7
123.04526	11.9
124.98771	0.5
125.06095	1.1
131.05014	0.6
134.03777	0.8
136.05301	1.3
137.02452	1.5
137.06094	6.0
139.00418	0.6
139.03967	1.0
139.07680	3.3
141.05582	0.7
145.02975	1.6
149.06085	10.4
149.09654	0.4
151.03976	2.1
151.07581	0.5
155.07147	1.9
161.04587	0.7
162.06865	0.5
163.03998	0.7
165.05540	2.1
167.03497	0.7
173.04523	1.1
175.07719	0.8
175.11258	1.5
177.05557	0.6
181.05049	6.4
185.09775	0.8
191.05612	0.8
191.07097	0.6
193.05074	3.2
199.07710	0.6
201.09312	0.5
201.12947	0.5
203.10799	4.0
207.10165	0.4
210.05228	0.8
211.06143	2.0
219.10240	1.8
221.11807	0.6
225.07715	1.9
227.05695	0.8
227.10851	0.6
229.08679	1.1
229.12350	1.8
233.11621	0.4
237.04175	0.7
247.09784	2.0
255.05127	3.0
263.12939	0.6
265.07523	0.8
265.10797	3.4
269.06638	3.4
270.07355	2.0
279.12326	1.0
289.10846	1.1
291.08783	3.7
291.12262	1.0
295.11716	0.8
307.11993	0.7
307.17621	1.0
308.12494	0.6
317.10361	1.3
323.11362	7.5
335.11407	4.7
336.11548	0.7
367.13959	100.0
368.14319	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	367.1397
Annotation	Drosopterin
Peak:m/z	Relative Intensity
52.65042	0.6
53.88501	0.7
54.50830	0.6
56.61733	0.6
59.01376	7.4
60.01715	0.6
61.98820	1.2
69.03440	1.3
69.88008	2.0
71.01370	0.7
74.92696	0.6
76.37729	0.6
78.02361	0.6
78.49780	0.6
85.02948	0.7
93.03473	1.5
95.05031	16.7
95.05614	1.3
97.06596	11.4
101.02417	0.9
107.05038	1.8
108.02189	2.1
111.00871	1.4
117.03467	1.5
117.05475	0.6
121.02930	1.1
121.06611	3.6
122.03733	1.1
123.04530	27.0
123.08165	1.0
124.04892	1.1
125.06081	1.8
134.03735	0.7
136.05289	1.9
137.02432	0.9
137.06070	1.8
139.04024	1.1
139.07672	3.2
141.05600	2.1
142.06616	0.7
143.06982	0.9
145.02945	4.3
149.06088	14.1
149.07207	1.0
149.09772	0.8
151.03998	2.6
155.07173	4.8
162.06924	1.1
165.05562	1.1
165.09261	0.7
167.03514	2.2
167.07242	1.0
173.53175	0.6
175.07628	1.4
175.11324	1.2
177.05637	1.0
181.05075	10.6
181.08710	0.8
182.05289	0.9
185.09698	2.0
188.08426	0.9
191.03513	0.8
191.07158	0.8
193.05101	1.2
203.10765	9.1
204.11084	0.9
209.04637	0.8
211.05986	0.8
221.11905	0.7
225.07666	2.5
229.12372	2.4
247.09752	2.0
265.07410	1.4
265.10858	2.8
273.10992	0.8
289.10876	0.7
291.08740	2.5
291.12051	1.0
307.11899	1.5
323.11469	3.0
323.14920	0.7
335.11340	12.3
336.11740	1.2
367.13968	100.0
368.10056	1.1
368.14276	8.7
390.91721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
59.24354	0.8
61.05824	0.8
61.98836	1.6
63.02934	0.8
71.01391	1.9
73.02933	1.5
80.89660	0.8
84.51381	0.8
85.02928	1.0
86.80703	0.8
87.53968	0.7
95.05017	1.0
96.96006	100.0
97.06570	1.3
102.88774	0.9
108.42080	0.9
119.05017	1.5
123.04456	0.9
139.00284	0.9
149.06013	1.1
193.04982	1.2
204.11417	1.1
205.12280	2.5
287.14932	1.9
344.35846	0.9
367.10516	20.2
367.14163	8.1
368.10474	1.8
368.14600	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	367.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	57.6
69.27563	29.9
71.01363	15.2
99.48919	9.1
114.93892	8.3
121.02931	11.1
121.47571	7.9
125.02440	11.0
134.31825	9.5
145.02994	12.4
160.65811	8.1
174.76750	9.3
192.59702	9.4
205.05153	15.2
367.10519	15.9
367.15103	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	367.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	57.6
69.27563	29.9
71.01363	15.2
99.48919	9.1
114.93892	8.3
121.02931	11.1
121.47571	7.9
125.02440	11.0
134.31825	9.5
145.02994	12.4
160.65811	8.1
174.76750	9.3
192.59702	9.4
205.05153	15.2
367.10519	15.9
367.15103	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	367.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	15.7
61.98814	26.4
69.70054	11.2
70.63414	4.1
71.01397	5.7
77.69661	4.5
95.05000	6.1
97.06593	10.2
98.22612	7.9
121.06559	6.5
149.06047	6.0
163.63994	5.3
165.05565	5.6
205.08640	5.1
206.86383	5.3
267.22607	4.5
304.20181	4.7
307.12079	4.8
323.14868	10.2
335.11392	7.9
367.13947	100.0
368.14215	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32535	9.2
59.01368	54.1
61.98830	100.0
69.89241	27.9
71.01369	13.7
72.99318	10.4
73.02956	9.3
100.03153	9.4
101.02406	14.8
113.02429	19.6
121.02950	17.2
127.68507	8.9
137.02443	10.6
149.64206	8.5
160.79816	9.6
163.03964	20.8
367.13831	69.9
367.17578	18.3
368.13901	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.3
55.50860	0.9
57.01068	0.9
57.03450	4.4
59.01375	44.3
59.60512	1.1
61.98818	1.6
69.03446	1.1
69.34566	2.8
69.34975	2.1
71.01379	50.3
71.05038	1.0
73.02942	32.1
73.06549	1.0
76.42213	0.9
81.03487	1.4
83.01385	11.3
84.06464	0.9
85.02943	28.5
87.00858	2.3
89.02438	12.5
92.75071	0.9
95.01389	3.1
97.02945	2.9
98.22594	1.9
99.00883	7.6
101.02438	59.3
102.02795	1.0
106.84561	0.9
111.00895	1.7
113.02443	21.2
115.03992	1.5
119.03504	2.2
119.05045	1.8
125.02454	2.9
129.01889	1.4
131.03508	2.8
140.61800	0.9
143.03459	2.5
144.80641	0.9
149.04543	1.5
159.02953	3.9
161.04532	18.8
181.68120	0.9
182.80679	1.0
233.06715	2.2
235.11850	100.0
236.12141	5.0
275.04172	1.0
367.16046	98.6
368.16461	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	4.9
57.03383	2.9
58.00540	1.0
59.01313	42.8
59.01644	4.4
59.08377	0.7
59.29230	0.6
64.84970	0.7
69.03393	1.0
69.41420	3.4
71.01381	42.0
71.01730	2.2
71.04987	1.0
71.92484	0.7
72.01688	0.8
72.99270	1.2
73.02946	29.5
73.03319	1.5
75.00840	1.3
81.03415	1.2
83.01383	11.4
85.02948	24.7
86.00050	1.6
87.00799	3.0
89.02444	9.9
95.01323	3.0
97.02956	3.8
97.06559	1.4
98.56309	0.8
99.00874	9.7
99.04442	0.6
101.02444	58.9
102.02724	1.5
108.84837	0.6
111.00806	2.5
113.02447	20.7
115.03970	1.4
119.03418	1.0
123.04449	2.3
125.02461	3.4
129.01888	1.6
131.03529	3.3
137.36034	0.7
143.03424	2.3
143.07143	0.9
149.04509	1.2
149.06061	0.9
159.02974	4.0
161.04546	16.9
163.77547	0.7
168.02977	0.8
208.68123	0.8
233.06725	2.1
235.11859	100.0
236.12119	4.0
335.11560	0.9
350.85568	0.8
367.16183	94.0
368.16699	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	367.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	11.6
61.98824	100.0
69.63031	15.4
79.89039	4.1
94.03016	3.4
101.66776	4.1
113.10577	4.0
127.00341	6.6
127.87025	11.6
146.12202	3.9
200.19359	3.9
202.98701	4.7
217.00278	9.8
291.69028	4.8
292.92905	4.0
309.16940	11.5
331.24680	5.6
362.23074	3.9
367.21213	23.0
368.21866	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	367.2123
Annotation	20-Hydroxy-PGE2
Peak:m/z	Relative Intensity
57.03428	2.0
59.01374	2.5
61.54714	1.2
61.98819	3.5
69.03435	1.5
69.64267	4.1
71.43421	1.1
77.30467	1.2
79.01902	5.7
85.02959	1.7
85.82785	1.1
87.04505	2.0
95.01369	2.0
97.02960	2.6
98.21913	2.1
111.00890	3.9
113.02456	3.8
123.00872	10.2
124.98824	1.7
139.00392	9.0
140.01157	4.0
141.01942	100.0
142.02249	2.8
192.95741	1.5
202.98654	2.2
217.00307	2.3
233.15344	1.2
248.14410	1.5
249.18668	1.6
265.21585	1.6
267.23276	2.9
277.21683	5.0
290.18967	1.6
293.17432	1.4
303.19638	1.8
305.21191	8.4
307.19064	1.4
321.20663	23.3
322.21198	1.3
338.88193	1.3
349.20172	99.6
350.20499	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	367.2123
Annotation	Excisanin G
Peak:m/z	Relative Intensity
55.01888	2.1
60.83268	0.9
68.99803	0.9
69.03429	1.8
69.93779	2.6
78.01115	1.0
87.51610	1.2
111.00866	2.0
119.58019	1.1
124.98822	3.1
125.99576	3.0
136.01604	1.0
139.00385	7.5
148.11749	0.9
162.24792	1.0
167.03535	1.1
221.19144	1.9
223.20682	1.1
245.19142	3.8
251.20091	1.2
253.21574	1.1
265.21725	1.5
266.14716	1.6
267.23267	1.4
277.18002	1.4
277.21643	3.4
279.19479	1.7
302.13718	1.3
303.19687	1.8
305.17352	1.2
305.21045	1.6
307.19135	39.4
308.19427	4.3
321.20712	21.6
322.21066	1.9
349.20172	100.0
350.20493	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	367.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44346	0.9
59.01352	1.1
66.41398	1.0
66.79971	1.0
68.47105	0.9
69.85548	3.0
74.37017	1.1
74.97753	0.9
78.01094	1.0
79.01896	1.7
128.33606	1.0
141.01910	3.2
142.02277	1.0
154.85310	1.1
161.72697	1.0
163.11276	2.5
169.01418	42.0
170.02042	2.1
183.02954	1.1
191.10757	5.7
193.42934	0.9
217.00414	1.1
223.20604	1.8
247.20650	1.5
279.19791	1.1
309.17059	9.7
310.17838	100.0
311.18192	9.0
323.22342	1.8
339.23386	1.3
352.18878	21.9
353.19131	2.7
367.21140	21.4
368.21692	2.9
386.15363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2124
Annotation	Platenolide A
Peak:m/z	Relative Intensity
53.00946	0.5
59.01366	1.0
61.98819	1.7
69.90620	1.0
69.90954	0.8
74.70172	0.5
78.01102	18.9
78.01566	0.9
80.02678	1.3
81.03446	0.5
83.05023	1.3
84.10480	0.5
96.86772	0.5
96.96016	1.0
97.06596	0.5
106.49627	0.7
110.00074	1.4
111.00874	2.3
119.94700	0.7
124.98795	0.9
137.99620	1.1
139.00381	1.2
179.19069	0.6
192.95779	1.1
202.98709	1.3
207.21234	3.1
217.00395	0.8
221.19106	1.9
223.20665	43.6
224.20911	3.6
235.20576	1.0
247.20653	70.2
248.21011	6.3
251.20161	0.8
262.17114	0.6
267.19791	1.2
279.19644	26.0
280.19949	2.2
307.19064	4.0
308.19333	0.8
309.17371	1.3
325.20178	6.5
326.20453	0.8
335.18674	1.0
367.21222	100.0
368.21494	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	367.2124
Annotation	Platenolide B
Peak:m/z	Relative Intensity
51.20314	0.6
51.73980	0.5
56.93823	0.6
59.01369	2.1
59.05531	0.5
61.98824	2.4
64.75568	0.5
69.18308	0.5
69.29337	2.3
70.85309	0.5
82.90165	0.6
93.03449	0.7
95.01384	6.0
96.02187	0.9
98.00085	0.9
109.02950	2.1
110.00073	0.7
111.00887	0.8
118.89244	0.5
121.02982	0.5
123.00884	36.7
123.76479	0.6
124.01641	1.9
137.02443	8.9
138.03270	0.6
151.00385	3.4
152.01138	0.6
153.02084	0.7
165.01918	18.1
179.07156	0.9
192.95746	0.7
193.08644	1.1
202.98721	0.7
207.10281	1.3
217.00293	0.7
220.94087	0.5
221.08278	0.8
237.11368	3.5
265.10715	1.1
266.11200	0.6
307.19150	3.9
308.19440	0.8
327.20572	0.6
339.21832	1.9
352.18948	7.2
367.21231	100.0
368.16910	0.7
368.21576	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	367.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96635	48.3
110.13823	48.2
160.88454	43.8
267.26855	100.0
367.26550	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
85.92741	12.7
98.93089	11.7
99.92617	13.3
100.40814	12.4
116.92878	18.4
128.18349	10.5
133.50015	12.4
149.09727	100.0
154.25218	11.8
163.11284	28.5
205.15924	89.3
293.17606	13.6
339.23175	78.2
367.22534	24.5
367.26364	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2637
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
57.00369	0.5
58.90198	0.5
61.98843	0.6
69.55683	1.3
69.56081	0.9
76.37446	0.5
93.19190	0.5
95.01402	0.5
123.00906	2.2
124.01683	0.6
133.06598	0.9
137.02432	0.7
149.09715	53.3
150.10098	3.2
150.11188	0.6
183.81032	0.5
201.26921	0.6
205.15958	54.0
206.16324	3.8
229.41136	0.5
331.22879	1.6
335.22244	1.8
349.79340	0.6
367.26410	100.0
368.26736	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	368.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03638	0.4
54.11783	0.4
61.98827	100.0
69.62900	0.8
69.63290	0.8
71.28481	0.3
85.56313	0.4
102.88686	0.4
119.99026	0.4
125.02427	2.9
137.02473	0.9
139.04015	0.5
165.01933	0.4
167.03506	0.8
179.03584	0.8
219.06654	0.6
278.52728	0.5
285.45953	0.5
305.06680	4.9
375.18066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81741	0.4
59.01366	0.7
61.98829	100.0
69.07664	2.4
69.08058	0.9
77.67914	0.5
81.69382	0.5
83.37286	0.5
90.49577	0.5
96.95983	0.5
111.85459	0.4
125.02457	3.5
137.02429	0.5
139.04077	0.5
144.04613	0.4
165.01979	0.9
167.03540	0.9
179.03566	0.8
194.64999	0.4
217.67349	0.4
225.94818	0.5
305.06680	5.4
372.84036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
125.02483	1.9
137.02496	0.5
139.03990	0.5
150.43297	0.4
219.06642	0.6
259.61768	0.4
305.06665	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	368.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01397	0.3
61.21752	0.4
61.98827	100.0
69.47752	0.8
71.97546	0.4
83.72994	0.4
87.70438	0.3
98.22547	0.8
99.15777	0.4
109.02959	0.4
121.06648	0.6
123.04536	0.6
125.02450	1.6
137.22417	0.4
163.07635	0.7
163.98187	0.3
167.03528	0.5
169.94893	0.4
207.06583	4.7
220.87828	0.3
305.06613	3.3
337.05502	0.4
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
50.29649	14.4
59.01378	100.0
59.87503	14.3
61.98814	29.4
71.01391	15.3
98.22684	33.7
101.55293	14.7
112.89044	16.5
128.54974	16.2
201.83197	14.9
215.95589	14.9
308.53946	15.9
368.14041	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	368.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34847	30.6
56.05633	36.8
56.35718	29.9
57.01927	26.7
59.01353	100.0
59.97281	31.6
68.55028	29.2
71.01385	42.9
71.40040	32.1
71.45285	29.0
92.50677	33.1
114.56100	35.2
121.86333	34.9
207.10095	35.2
292.69052	30.5
300.33514	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	368.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15810	5.8
59.01377	100.0
60.94384	6.4
61.98824	13.2
64.00573	5.9
65.69739	7.2
69.41608	11.9
69.41994	13.1
71.01384	48.2
73.02932	8.6
80.05234	6.0
82.58596	6.0
85.02928	20.9
89.02443	46.4
95.05038	7.1
96.96009	7.1
99.00864	9.0
101.02414	23.4
113.02416	20.2
119.03500	16.3
130.23698	7.1
137.09712	14.6
138.12202	7.8
147.34453	6.6
151.03986	7.6
161.04523	7.3
163.07578	12.3
172.16132	6.9
179.07144	7.9
201.80653	6.8
207.06577	44.9
207.10213	20.8
225.07652	20.1
234.29463	6.1
297.13226	9.5
368.14313	17.9
369.11734	33.6
369.19165	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	368.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29649	14.4
59.01378	100.0
59.87503	14.3
61.98814	29.4
71.01391	15.3
98.22684	33.7
101.55293	14.7
112.89044	16.5
128.54974	16.2
201.83197	14.9
215.95589	14.9
308.53946	15.9
368.14041	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66764	0.8
59.01365	7.6
61.98825	2.2
69.87967	0.8
71.01370	1.9
73.02940	1.0
77.51046	0.8
101.02433	1.5
108.02204	1.0
109.02942	1.0
121.02997	2.2
123.00877	1.5
123.04502	0.9
123.48718	0.8
124.01633	1.6
125.02407	2.9
133.02957	1.2
134.03647	1.7
136.01624	2.4
137.02422	1.6
138.03226	3.5
147.04509	6.8
148.01646	1.1
149.02420	1.5
150.03212	1.5
151.03975	1.6
152.01147	1.1
155.08026	0.8
161.02441	11.2
162.03220	9.2
163.00250	0.9
163.07646	1.4
164.01154	8.5
165.01900	2.7
166.02695	5.3
167.03374	1.2
173.02333	1.3
176.01190	1.0
177.01942	5.2
178.02657	2.9
178.99785	2.7
180.00589	1.2
183.02936	1.9
189.01927	3.2
190.02727	14.0
190.99886	2.1
191.03220	1.2
192.00641	100.0
193.01384	41.5
194.02168	24.3
195.02692	1.4
205.01385	14.1
205.05060	1.2
206.02170	13.6
207.02977	46.0
207.06259	2.0
207.10275	3.4
208.03304	2.8
209.04515	2.0
220.00128	0.9
221.00935	4.5
221.04298	1.1
222.01698	6.7
232.03780	5.1
233.00827	1.4
234.01683	45.2
235.02138	3.6
237.04079	5.3
249.04025	31.7
250.04399	2.7
276.02686	1.9
291.05148	4.7
294.03772	4.6
309.06131	19.7
310.06543	1.6
312.04846	5.7
327.07172	26.3
328.07489	2.4
351.23840	1.8
354.01959	1.1
354.05911	14.4
355.05948	1.1
361.85284	0.9
369.08243	21.8
369.12454	2.0
370.08380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	6,7-Dihydroxy-5-methoxycoumarin 6-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.17867	1.1
57.90269	0.9
58.55724	0.9
59.01382	5.1
69.95924	1.1
70.15118	1.7
77.09147	1.0
90.10288	1.0
98.78029	0.9
103.60935	1.0
121.02998	1.2
124.01669	2.0
125.02428	3.4
133.02982	1.8
134.03709	1.2
136.01659	3.0
137.02399	1.9
138.03223	3.1
145.02934	1.4
149.02434	2.5
150.03203	2.1
161.02457	11.6
161.69064	1.0
162.03212	7.9
163.07687	1.6
164.01163	9.7
165.01909	1.8
165.05547	2.3
166.02702	4.4
173.02400	1.5
177.01930	5.2
178.02626	3.4
180.00566	1.1
189.01950	1.9
190.02740	14.0
190.99815	1.4
191.03314	1.2
192.00650	100.0
193.01402	42.8
194.02187	33.1
195.02673	2.3
205.01404	13.2
206.02185	13.2
207.02980	52.2
207.06633	2.0
207.10275	2.8
208.03323	3.3
209.04559	1.2
220.00223	1.9
221.00899	6.3
222.01704	7.9
232.03685	6.1
233.00887	1.6
234.01695	47.1
235.02193	4.1
237.04041	5.3
249.04019	32.0
249.06473	2.1
250.04445	2.1
256.00671	1.0
276.02701	1.3
291.05005	5.1
294.03827	3.6
309.06171	17.9
312.04996	5.6
327.07193	29.1
328.07700	1.9
354.05957	18.8
355.06210	1.5
369.08200	26.0
369.12070	1.0
370.08484	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	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53978	1.2
59.01377	67.4
69.19314	7.1
71.01384	26.8
72.99303	1.4
73.02950	7.3
83.01386	3.9
83.12614	1.1
85.02940	10.4
87.00880	3.8
89.02452	13.6
93.03152	1.4
95.01395	2.3
97.02958	1.1
99.00896	2.2
101.02444	19.7
113.02429	10.4
119.03489	6.7
121.02950	5.2
122.03745	1.9
147.08115	2.3
148.05333	1.7
149.09717	16.6
150.10091	1.5
156.00188	1.0
161.09731	2.3
162.94197	1.4
163.07654	3.6
164.08424	3.0
164.67903	1.0
165.09200	100.0
166.09572	3.5
173.09789	1.8
176.08403	1.5
177.09143	1.0
186.95218	1.5
189.09192	12.3
191.10791	6.2
207.10277	9.6
215.10785	2.9
219.10135	1.9
228.14766	1.1
231.10304	1.5
243.10318	1.8
249.11336	3.2
279.12601	1.0
291.12357	5.3
309.13431	71.6
310.13712	6.9
327.14481	95.1
328.14758	8.9
366.16046	1.3
369.15604	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	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47655	0.7
59.01381	13.6
69.31005	3.0
70.05554	0.6
71.01379	10.4
73.02978	3.2
73.03333	0.6
83.01382	1.5
85.02948	6.1
85.11221	0.7
89.02428	4.1
95.01367	1.6
99.00887	1.5
101.02431	5.6
109.02966	7.8
113.02437	4.2
119.03502	1.0
122.03748	0.9
134.03725	1.1
135.04524	4.1
136.05261	5.2
137.48320	0.7
138.93509	0.8
159.03055	0.7
159.04509	1.1
160.05232	1.1
163.04054	1.0
173.06104	1.9
174.06847	7.9
175.07281	0.8
177.05559	3.1
189.09212	14.2
191.07150	0.7
191.10825	1.3
192.07950	6.4
207.10269	100.0
208.10593	6.1
369.15530	44.5
370.11813	0.7
370.15851	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	369.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
59.01374	1.9
60.10772	0.2
61.98795	0.2
63.46820	0.2
68.97832	0.2
69.52254	0.6
71.01382	1.4
73.02945	0.4
79.05522	2.9
83.40553	0.2
84.97231	0.3
85.02946	0.6
89.02434	1.4
93.03400	0.3
95.01360	0.2
95.05031	0.3
101.02438	0.7
106.04260	0.7
108.02171	0.3
109.02937	2.5
109.82181	0.2
113.02428	0.5
119.03490	0.5
120.05795	0.5
121.02936	0.2
121.06591	1.5
122.03722	1.2
123.04530	2.1
125.02419	0.4
130.39584	0.2
134.03720	3.5
135.04529	2.8
135.08173	0.3
136.05334	1.1
137.02315	0.2
137.06064	0.2
137.09679	0.4
139.30058	0.2
149.06085	2.0
151.07602	0.7
159.04478	0.3
161.04558	0.5
163.03996	2.4
163.07597	1.3
163.11310	1.6
164.08397	0.3
174.06877	0.8
177.05493	0.7
178.06194	0.4
179.07127	0.5
189.09128	1.1
192.07867	1.3
205.08699	0.3
207.06648	3.4
207.10245	100.0
208.10573	6.2
225.07680	1.2
263.16443	0.4
263.63492	0.3
265.14502	1.0
279.93274	0.2
325.16397	1.1
326.16678	0.2
369.11661	1.8
369.15533	0.6
369.19318	0.4
370.12360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.9
69.54434	1.3
69.54778	3.3
71.01383	11.1
73.02949	2.7
75.66357	0.9
76.21658	1.0
81.48202	0.9
83.01385	1.9
84.59262	1.0
85.02965	5.6
86.00163	1.0
87.00858	1.5
89.02455	4.2
98.21894	2.2
98.81397	0.9
101.02455	5.4
101.03028	0.9
109.02968	6.9
113.02448	4.2
125.02410	0.9
125.18072	0.9
135.04518	4.4
136.05275	3.6
154.98894	0.9
163.04004	1.5
173.06058	1.9
174.06854	6.7
176.08334	1.3
177.05559	3.4
189.09222	11.6
192.07962	6.0
207.10254	100.0
208.10506	5.9
238.34163	1.1
253.95688	1.0
262.69498	1.0
307.61874	1.0
369.15491	46.8
370.16031	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	369.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.3
58.03594	12.0
59.01379	100.0
71.01379	27.0
71.06764	14.9
73.02935	26.1
96.95969	16.4
99.00864	36.0
106.81291	10.7
114.86386	13.0
127.60455	11.6
138.43744	12.6
186.22940	14.7
209.08162	26.6
227.09283	69.1
274.91446	13.4
369.23019	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	369.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63990	11.1
58.83856	9.8
59.01374	100.0
61.98835	23.1
69.19358	53.3
71.01373	50.1
73.02937	15.9
75.00881	22.6
85.02965	29.0
86.27058	10.1
89.02439	14.2
95.01376	14.6
98.22608	21.9
101.02423	19.5
106.06623	29.3
113.02467	13.2
114.99625	10.3
122.60435	11.5
124.30102	15.0
146.87875	11.0
150.05606	12.3
161.04675	14.8
207.10251	17.6
222.58226	33.1
224.38734	10.7
228.27112	11.4
241.09827	11.0
274.62167	10.8
338.60913	12.4
369.15097	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	369.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.7
59.01382	11.5
60.09037	4.4
61.98819	13.1
65.67717	4.3
69.20151	16.6
69.20583	14.0
72.71186	5.8
80.02679	7.4
87.17263	4.7
98.22620	8.5
99.00821	5.0
124.01681	42.9
125.02449	100.0
130.72107	5.5
133.31737	4.7
165.99550	4.6
179.18053	45.0
195.17531	86.9
196.18002	4.9
197.19077	46.6
207.17595	27.9
223.17068	8.7
225.18527	6.2
251.16524	99.3
253.18179	26.3
266.18704	6.0
271.19095	13.5
281.17648	7.8
281.21158	18.7
295.22830	18.8
325.19940	10.7
369.15173	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	369.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98177	2.7
59.01379	6.0
69.45316	3.0
70.75465	5.9
78.55376	3.1
80.02697	4.7
82.88150	2.6
90.15273	2.6
92.83568	2.6
104.67117	2.7
115.10089	2.8
124.01662	36.2
125.02444	88.0
126.02816	2.9
132.91872	3.0
134.70201	2.7
165.83002	3.0
166.96689	2.9
171.10211	4.4
179.18033	48.3
181.15948	7.4
195.17564	6.0
197.19173	4.4
207.17537	19.8
221.19086	3.9
223.16982	7.8
251.16493	100.0
252.16740	7.5
266.18854	14.1
281.21280	16.0
295.22800	8.6
303.53394	2.8
325.20187	10.2
353.74655	2.7
369.15311	14.9
378.64087	3.2
379.32281	3.2
390.97397	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	369.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	3.1
65.03966	2.3
66.40942	2.0
78.01106	10.2
124.98831	2.4
125.99610	6.9
139.00418	5.0
197.19128	3.8
198.99071	2.2
245.19069	11.3
305.17584	6.1
307.19135	100.0
308.19498	7.0
333.16968	5.3
351.18015	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	369.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	2.4
61.62916	0.8
64.82684	1.0
69.03445	1.5
69.28815	5.5
75.00864	10.2
80.02685	2.4
81.03448	1.7
83.05009	2.0
85.27895	1.0
93.81551	1.1
97.02947	2.3
159.29807	1.1
169.01425	11.9
193.15985	11.6
195.17537	92.3
196.17914	6.7
197.19005	1.0
207.17488	2.6
209.19017	1.7
225.18585	4.3
237.18562	4.6
237.22200	2.0
239.16463	3.4
251.16519	2.8
253.18094	3.7
255.19679	9.9
267.15988	20.6
268.16312	1.6
285.20685	18.7
286.20908	1.3
293.17648	1.9
310.17859	11.3
311.17950	1.4
313.20190	36.7
314.20538	3.5
341.19659	100.0
342.20071	7.8
369.19125	21.1
369.23395	0.8
369.28000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70527	1.8
98.21841	0.5
116.92841	0.7
124.01658	1.3
134.31029	0.6
137.02431	0.7
138.03218	21.6
139.03525	0.8
151.03998	4.3
170.02209	1.0
177.81567	0.5
183.01213	0.6
254.13568	0.5
264.71280	0.5
293.21149	1.8
309.19983	0.8
311.16711	0.6
333.24326	100.0
334.24643	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	370.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15774	1.0
55.58730	1.3
59.01071	1.8
59.01375	28.3
63.93991	1.1
71.01382	14.5
73.02944	3.6
81.03445	1.6
83.01382	9.4
85.02946	6.7
89.02475	7.5
93.94902	1.1
95.01360	1.5
95.05026	1.9
101.02448	10.3
108.02157	1.6
113.02446	4.1
116.68744	1.2
117.80160	1.1
119.03486	2.5
121.02951	2.7
122.03767	1.7
123.04497	4.5
125.02460	1.7
137.06053	3.2
149.09744	5.1
165.05556	2.7
165.09201	50.4
166.09576	2.5
167.03471	3.4
191.10815	1.4
207.06725	1.3
207.10292	7.0
208.10606	5.3
209.04529	4.6
209.11813	4.3
217.05083	1.4
221.04575	1.9
233.90810	1.2
248.36115	1.3
251.05603	32.1
259.54303	1.2
263.00211	1.2
281.06653	7.5
327.14471	100.0
328.14786	9.9
341.10065	1.4
353.10248	1.1
370.15976	3.4
371.09839	12.0
371.17014	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	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53407	1.5
59.01375	5.3
60.79933	1.5
61.98828	100.0
66.75107	1.7
69.11202	10.6
70.23524	1.8
99.92568	2.2
115.91998	1.6
121.02917	2.3
123.28495	1.6
163.19833	1.6
167.14400	8.3
168.14836	2.0
191.14389	6.5
192.27847	1.6
223.13435	5.1
249.14737	1.6
251.12877	5.0
279.12350	5.8
298.20242	5.2
311.15012	2.4
312.15448	2.7
371.16992	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
61.98827	100.0
69.81229	1.8
71.05193	0.6
81.03458	2.2
151.80544	0.7
164.95648	0.7
167.63814	0.7
176.06995	0.6
219.17433	1.6
219.26210	0.6
223.17096	0.9
256.57581	0.8
263.20160	6.3
280.02631	0.7
289.21762	2.1
291.16064	0.8
293.17590	0.8
294.17960	1.1
307.19162	23.4
308.19565	2.4
315.46014	0.7
371.26016	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14451	1.3
59.01373	4.4
61.98830	100.0
70.75100	2.6
93.35455	1.5
107.04897	1.3
121.02945	2.0
138.17842	1.3
149.01889	1.3
158.15027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03445	11.2
59.01382	7.9
60.99900	0.6
68.23910	0.7
69.67061	2.1
71.01363	3.2
73.02926	1.2
79.05531	1.8
80.91673	2.0
81.03450	2.2
83.01405	1.7
85.02985	0.9
93.03442	1.6
95.05024	2.0
97.02930	1.0
98.21947	0.6
99.00876	0.6
101.02469	1.5
105.03461	1.0
108.02180	3.3
109.02962	8.0
111.04506	0.9
113.02472	1.2
121.02942	4.1
122.03769	1.6
123.00934	0.9
123.04527	43.4
124.01738	0.7
124.04829	1.5
125.02447	96.2
126.02777	3.2
133.02946	1.0
135.04555	1.1
137.02449	24.0
137.06099	1.4
139.04025	2.8
149.02457	6.1
149.06151	0.7
151.04044	4.0
151.07686	1.4
153.02112	0.6
155.03520	0.9
161.04541	2.1
163.03964	0.8
164.01155	1.7
165.01935	10.0
165.05530	1.9
167.03500	29.5
169.01421	2.2
175.00006	0.6
177.01927	67.9
178.02289	4.0
181.05078	3.0
191.03482	5.0
191.07158	1.3
207.10016	0.8
209.04683	3.1
209.08224	6.8
209.11823	100.0
210.12102	3.9
216.04097	0.7
217.04962	1.2
235.06013	1.8
243.03093	0.8
259.06030	3.0
261.03992	0.7
275.05927	0.7
285.03949	1.7
289.07278	3.5
303.05096	16.8
304.05341	1.3
311.05276	1.5
335.07730	24.9
336.08038	2.4
371.13385	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88985	0.2
57.67237	0.2
58.74068	0.2
59.01380	3.2
61.72337	0.2
65.00324	1.3
67.13351	0.2
69.03424	0.3
69.12206	0.5
69.12614	1.0
70.38702	0.2
71.01368	0.3
81.03444	0.4
85.02964	0.2
91.01893	30.8
92.02222	0.8
92.11206	0.2
98.58311	0.2
100.27180	0.2
100.42043	0.2
107.01400	0.7
108.02173	0.6
109.02969	0.5
114.20187	0.2
118.54398	0.3
122.45270	0.2
135.00882	33.7
136.01210	1.0
152.01170	0.3
153.01909	0.6
166.02650	0.5
167.03491	100.0
168.03827	3.5
179.07188	0.2
259.31201	0.2
262.92642	0.3
284.39597	0.2
303.71500	0.3
360.53671	0.2
371.09726	2.1
371.17230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70631	1.1
58.99593	0.9
59.01378	8.3
59.81883	0.8
69.03451	19.1
69.26106	4.8
73.99788	0.9
79.01887	15.6
79.62404	1.1
81.03436	1.3
85.02897	0.9
95.01393	1.5
97.02940	10.3
102.98567	2.1
107.01389	40.4
107.87283	0.9
121.02991	1.2
123.00879	1.7
125.02447	19.8
135.00887	50.7
136.01233	1.5
149.02383	1.6
151.00365	17.9
153.01938	1.1
166.02707	100.0
167.03488	69.7
168.03836	2.9
177.01888	3.3
184.02615	1.0
191.03522	1.1
209.04587	5.0
243.25656	0.9
311.07758	1.7
329.12524	1.3
371.09848	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01376	3.3
66.56600	0.7
80.91684	1.2
81.03458	1.6
91.05537	0.8
107.05021	3.2
108.02167	1.2
109.02922	1.3
121.10224	0.7
123.04527	2.4
123.07243	1.1
123.08154	20.2
124.08439	0.7
125.02440	1.3
137.02425	2.1
141.68356	0.6
147.04462	1.0
147.08182	5.6
149.06061	4.4
151.03987	7.5
155.01999	0.6
165.09201	11.2
167.03473	2.6
191.03523	5.8
191.07106	18.2
192.07527	0.8
193.05067	0.8
209.08171	100.0
210.08537	4.6
233.04474	0.8
245.08383	0.7
246.17517	0.6
289.07233	2.3
311.04898	1.2
311.07974	1.6
361.07574	0.9
371.13422	15.5
372.13770	1.7
377.91638	0.6
394.03616	0.8
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
56.69125	1.3
57.03441	3.8
59.01377	28.9
67.01883	1.5
70.85428	2.3
71.01380	20.7
72.99318	4.9
73.02946	1.6
74.61324	1.6
75.00865	20.1
83.82289	1.6
85.02937	21.0
87.00874	10.2
89.02464	4.8
93.03464	2.8
95.01392	6.7
98.21782	1.3
99.00869	14.5
103.00408	2.1
109.32239	1.3
113.02438	28.7
115.00339	2.3
117.01943	2.8
121.02955	100.0
122.03289	4.3
125.02429	1.6
129.01917	2.2
166.02682	9.7
175.02493	4.2
206.50349	1.4
231.05103	8.7
235.43173	1.3
244.39519	1.4
249.06145	70.1
250.06641	2.8
329.08698	2.3
353.08679	3.0
371.09830	64.2
372.10196	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
51.16994	0.2
59.01376	3.4
69.03453	17.1
70.03774	0.3
71.01375	0.5
73.02979	0.2
79.01885	13.0
81.03476	0.7
85.02949	0.5
93.03445	0.2
95.01386	0.8
97.02946	9.0
98.03275	0.2
101.02478	0.3
102.98586	0.3
107.01385	31.2
108.01648	0.5
108.02261	0.4
108.36420	0.2
109.02959	0.6
110.93809	0.2
113.02423	0.4
121.02941	0.9
122.03764	0.5
123.00886	1.7
123.04498	0.3
125.02441	18.9
126.02782	0.7
133.02979	0.8
135.00882	40.8
136.00256	0.2
136.01532	1.2
137.02467	0.5
137.79086	0.2
137.80246	0.2
145.02986	0.4
149.02432	0.7
151.00371	16.2
152.00946	0.7
153.01933	0.9
158.58922	0.2
161.02469	0.3
163.04062	1.4
165.02031	0.5
166.02705	100.0
167.03481	55.4
168.03841	2.1
175.27457	0.2
177.01935	3.5
179.03523	0.4
191.03481	0.5
191.10762	0.3
209.04523	3.6
209.08092	0.2
221.04559	0.8
306.46402	0.2
311.07666	0.6
326.17010	0.2
339.07184	0.9
371.09830	11.5
372.10214	1.1
380.04462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1344
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.58858	0.6
52.44786	0.7
55.01873	1.0
59.01378	14.7
71.01361	3.2
71.42198	0.7
74.31774	0.7
81.03455	11.6
84.95097	0.8
93.03417	1.0
95.04986	0.8
105.07099	1.4
108.02200	1.0
108.89896	0.7
109.02940	0.8
113.02438	1.2
116.73360	0.7
123.04483	2.1
125.02405	3.1
132.05798	1.1
137.06082	56.0
138.06393	2.4
147.08154	94.0
148.08453	5.0
149.06075	17.0
150.03203	1.9
151.03899	0.9
151.07629	1.4
156.27014	0.7
161.06050	1.6
165.09206	3.2
167.03459	3.1
169.01370	1.4
173.05994	1.7
177.01822	1.5
189.09221	4.6
191.07133	82.4
192.07478	5.3
209.04753	2.6
209.08180	100.0
210.08536	6.3
227.09233	1.1
233.08167	6.7
251.05550	2.8
251.09201	3.3
269.10062	0.8
281.06793	1.6
281.10059	1.7
283.71930	0.8
289.07086	0.9
371.13452	30.6
372.13882	3.4
386.31497	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86716	0.4
55.01873	0.6
57.03446	1.7
59.01373	3.3
69.41947	1.7
71.01373	1.4
71.05036	0.4
71.55172	0.3
73.02950	0.4
80.02641	0.4
80.91709	0.8
81.03448	1.4
85.02961	0.9
95.05030	0.8
98.22630	0.8
101.02428	0.7
107.05046	1.9
107.25034	0.4
108.02182	5.4
109.02960	1.7
109.06529	0.4
111.04517	0.7
113.02491	0.5
120.99635	0.7
121.02943	0.4
121.10240	1.2
122.03732	1.1
123.04564	2.5
123.08163	17.1
124.08475	0.7
125.02448	3.8
135.04503	0.5
136.05275	0.7
137.02428	2.4
137.06070	0.7
147.08159	6.4
148.08492	0.5
149.02519	0.4
149.06078	4.1
151.04016	6.5
161.04559	0.8
165.01936	0.6
165.09204	10.4
167.03485	6.6
169.01465	0.6
177.01920	1.8
187.12106	0.4
191.07133	18.8
192.07484	1.0
203.07172	0.5
209.08194	100.0
209.11761	41.9
210.08542	6.2
210.12019	2.4
245.08104	0.5
259.84369	0.3
289.07181	3.5
311.05359	1.4
335.07581	1.0
361.64249	0.4
370.01456	0.4
371.13452	17.8
372.13733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01372	2.4
72.99303	1.0
73.02937	2.2
83.05009	4.5
87.00855	1.1
89.00656	2.9
107.05029	7.6
108.50779	1.0
118.54726	0.9
119.99107	1.0
121.72115	1.0
125.02424	2.8
131.24252	1.1
151.00676	1.0
167.03535	2.4
178.66078	1.1
184.66284	1.0
188.09323	1.2
197.68544	1.3
209.15533	1.4
219.13855	3.7
219.96614	1.0
237.53297	1.1
242.09355	1.2
255.12251	1.4
285.11304	1.6
341.10229	3.0
356.12634	2.8
371.14923	4.1
371.19171	3.1
372.15945	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	371.1345
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
52.72231	0.4
53.46397	0.4
59.01378	8.2
60.53781	0.4
63.16945	0.4
69.08482	2.5
71.01363	0.7
73.02929	0.5
81.03455	1.6
83.05024	4.0
85.02969	0.6
91.01857	0.9
95.71808	0.4
98.56023	0.3
100.07655	0.8
101.02420	0.9
109.02959	0.4
121.02986	0.4
123.04512	1.8
125.02438	2.0
133.06577	2.2
135.00905	1.0
137.02431	0.4
147.04491	0.6
148.05263	0.4
149.06078	15.6
150.06860	48.0
151.04004	0.5
151.07216	1.9
163.07640	6.2
165.09201	28.3
166.02704	0.9
166.09547	1.4
167.03470	6.1
169.01350	0.5
177.01938	0.5
179.20139	0.4
182.05811	2.6
191.03476	0.6
191.07135	0.7
199.18263	0.4
209.08177	100.0
209.11797	7.2
210.08504	6.1
225.16145	0.7
243.17108	2.2
309.21915	0.4
353.20676	1.3
368.35422	0.4
371.13358	23.9
371.17017	2.1
371.21280	9.0
372.13770	2.7
372.17780	0.5
372.21985	0.9
375.35159	0.4
378.36993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74702	0.8
55.01856	2.0
57.03441	1.0
58.00559	0.7
59.01380	100.0
60.17536	0.7
70.50142	1.4
71.01382	39.3
72.99303	1.9
73.02943	2.2
75.00861	2.3
83.01375	2.7
85.02955	10.7
87.00871	2.5
89.02443	44.1
91.05544	2.1
95.01391	3.7
99.00864	1.2
101.02449	26.6
109.02982	0.9
113.02454	17.0
116.04334	0.7
119.03500	22.7
119.41476	0.8
121.02969	6.1
121.40573	0.8
123.04504	0.9
125.02445	2.2
125.96928	0.8
131.03513	1.9
137.77792	0.7
142.70605	0.8
143.03503	1.4
147.08168	1.3
149.04590	1.8
151.00360	1.3
161.04539	1.7
163.93022	0.8
166.02728	4.2
167.03479	1.5
175.81937	0.8
179.05646	3.3
181.05106	3.2
191.07141	1.7
193.05035	2.7
195.28163	0.8
208.07373	3.7
209.08180	1.3
223.09709	7.2
225.20657	0.9
249.06232	1.4
371.10156	4.4
371.13498	92.7
372.13876	7.3
372.18866	1.0
372.19601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03441	1.6
59.01377	47.1
71.01380	23.7
72.99290	0.7
73.02943	4.3
80.02667	0.5
83.01377	2.7
85.02943	8.2
87.00864	1.3
87.77308	0.4
89.02441	15.5
95.01380	1.5
99.00874	2.1
99.88845	0.5
101.02441	16.5
108.02156	6.3
109.02966	2.6
113.02445	7.4
119.03500	6.3
119.04991	1.2
123.04506	2.0
125.02435	0.8
129.01959	1.0
131.03445	0.5
135.04515	2.8
137.02437	7.4
146.03677	0.9
147.04478	1.0
148.08980	4.4
149.09354	0.6
151.04004	2.0
161.04579	1.3
161.06110	2.0
176.08420	21.0
177.09087	2.1
178.09947	2.0
179.05605	0.5
190.06560	0.5
191.10773	36.6
192.11098	2.4
193.08672	4.4
193.12311	4.1
194.09470	3.5
207.10181	0.5
208.11034	1.3
209.11819	100.0
209.95453	0.5
210.12164	5.5
223.13406	0.8
226.08488	1.7
235.91621	0.5
251.12843	4.0
297.11359	1.4
371.17072	70.3
372.17447	6.9
382.04010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03452	2.6
58.00578	0.5
59.01377	29.5
60.01731	0.7
69.03439	0.5
69.51492	0.9
69.51873	0.9
71.01377	21.0
72.60194	0.5
72.99310	1.1
73.02944	8.4
83.01385	5.4
85.02947	10.6
86.00095	0.6
87.00880	1.5
89.02453	5.3
90.02797	0.5
95.01406	1.8
98.21868	1.0
99.00888	2.1
101.02438	17.2
101.03092	1.0
111.00867	3.7
113.02449	6.9
119.03518	2.0
121.39736	0.5
122.03731	3.2
125.02461	1.2
125.35828	0.5
135.04567	1.5
136.05309	6.7
143.03532	0.9
148.43594	0.5
151.04089	0.5
151.07675	1.9
151.55183	0.6
159.03027	1.1
161.04547	3.4
165.05568	1.1
168.03049	1.8
177.09192	0.6
191.10844	2.6
193.12379	0.6
194.09511	2.8
207.10280	1.8
208.10600	1.2
209.11835	78.9
210.12172	3.9
371.17044	100.0
372.17371	10.3
372.21671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.81408	0.4
57.03442	1.0
58.00594	1.6
59.01377	100.0
60.01714	0.6
71.01379	49.3
72.99308	1.3
73.02956	2.2
75.65240	0.4
83.01382	1.8
85.02948	8.2
87.00872	1.5
89.02442	70.8
90.02760	0.8
95.01398	3.5
100.18511	0.4
101.02439	27.9
113.02448	19.5
114.02744	0.6
114.15777	0.4
119.03499	30.4
122.03699	0.7
122.77552	0.5
125.02436	1.1
131.03511	2.6
137.06075	0.5
143.03519	3.3
148.08890	1.3
149.04575	2.3
161.04564	3.0
176.08423	3.9
179.05615	5.5
191.09174	0.5
191.10774	8.3
192.10986	0.4
209.11903	0.6
371.16678	4.7
371.20749	0.8
372.17227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
57.03432	1.5
58.00579	0.9
59.01379	64.0
65.78519	0.5
69.11909	0.8
69.12310	2.9
71.01379	21.8
72.99302	1.3
73.02936	3.8
82.75362	0.5
83.01382	3.7
85.02950	8.0
85.33071	0.5
85.42421	0.5
85.43712	0.6
87.00874	1.7
89.02445	15.0
95.01380	2.2
99.00882	2.5
101.01775	1.0
101.02437	15.6
108.02170	6.0
108.88298	0.5
109.02998	2.5
113.02454	8.0
119.03484	5.6
119.04997	0.8
123.04533	1.8
129.01938	1.6
135.04512	3.4
137.02446	8.4
138.03181	1.1
147.04572	0.8
148.08948	6.1
151.04001	1.6
159.03088	0.7
161.04655	1.0
161.06091	2.3
176.08423	24.5
177.09023	2.5
178.09935	1.8
191.10773	41.4
192.11139	2.9
193.08655	2.3
193.12317	6.3
194.09464	5.1
194.59015	0.5
207.13942	1.4
209.11821	100.0
210.12144	5.1
225.14772	0.9
226.08464	1.4
251.12914	2.8
371.17090	85.5
372.17386	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	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33915	0.7
57.03452	0.9
58.00601	0.9
59.01379	21.2
60.38819	0.8
61.15105	0.7
61.98812	0.7
69.03455	0.8
69.36198	3.9
71.01388	8.0
72.74942	0.8
72.99300	1.4
73.02948	12.8
75.00886	1.9
80.76424	0.7
81.03461	0.9
83.01385	1.6
84.81511	0.7
85.02940	2.0
87.00884	3.8
88.71305	0.8
93.03471	0.8
98.03733	1.7
99.04513	2.0
101.02448	3.1
108.02173	2.0
109.02932	1.2
113.02419	1.6
115.00372	7.1
121.02895	0.7
121.06563	1.5
122.03773	1.2
122.86552	0.8
125.02458	1.3
125.09718	3.2
128.87811	2.4
131.03516	0.8
133.06627	1.5
149.09750	1.3
158.23698	0.7
163.11314	0.8
167.10771	100.0
168.11142	5.3
171.10287	1.9
175.02483	11.4
181.12428	1.4
191.10748	6.4
209.11844	2.9
221.11827	1.6
233.70677	0.7
239.12959	0.9
254.17784	0.8
270.46664	0.7
285.15070	1.1
320.16321	0.9
371.03085	1.4
371.17093	1.8
371.24335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
57.03426	1.2
58.00593	0.6
59.01377	45.4
59.57078	0.4
71.01380	21.9
72.99297	1.1
73.02942	4.1
80.91373	0.5
83.01387	3.3
85.02956	7.4
87.00872	1.6
89.02442	15.2
95.01392	2.0
98.57573	0.5
99.00879	1.0
101.02441	16.6
108.02169	5.4
109.02958	3.0
113.02437	8.2
114.02724	0.5
119.03513	6.1
119.04974	0.9
122.03748	0.6
123.04524	2.2
124.01673	0.7
125.02446	1.8
129.01971	1.3
131.03470	0.5
135.04546	2.3
137.02435	9.2
138.03168	0.7
143.03490	0.9
146.03732	1.4
147.04498	0.5
148.08922	5.0
149.09688	0.7
151.03996	2.3
151.21806	0.5
161.04559	1.4
161.06070	1.9
162.06783	0.6
176.08424	21.5
177.09108	2.8
178.09991	1.4
191.10770	36.8
192.11119	2.2
193.08678	4.6
193.12332	4.4
194.09492	4.0
194.12483	0.8
208.11034	1.4
209.11819	100.0
210.12123	5.9
216.78064	0.5
221.11861	0.6
223.13319	0.7
226.08360	1.2
251.12872	5.4
297.11310	1.6
371.17090	72.7
372.17438	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	371.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	37.8
60.45197	6.6
61.98795	9.2
74.34085	6.6
107.47231	7.0
115.91998	6.7
131.38844	7.6
149.02357	7.5
156.95883	8.8
159.73380	6.3
188.04926	6.7
198.60751	8.7
201.56787	7.9
233.00046	7.3
249.78592	7.2
255.28450	8.5
335.22198	100.0
336.22491	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	371.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52111	8.9
59.01365	22.3
60.32302	8.6
61.98840	23.4
69.73484	31.2
95.98396	8.4
138.68990	8.6
142.15121	9.7
146.53409	9.0
175.99937	9.5
210.31483	11.8
257.93518	9.7
335.22244	100.0
371.22498	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	371.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98823	73.1
62.11833	23.5
64.59650	24.7
79.63902	25.7
110.93099	30.4
120.65229	27.1
123.76358	27.4
162.83954	47.6
197.73683	27.7
320.70596	33.6
327.25449	68.1
335.46561	32.0
371.11313	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.5
61.43702	0.8
61.90734	0.9
61.98820	1.3
71.45211	0.9
74.59898	0.8
75.96228	0.9
80.02678	1.6
82.23689	0.8
83.05018	2.2
96.95997	1.1
136.05312	0.9
137.93745	0.9
139.34433	0.8
149.06076	1.1
153.01886	1.4
193.15985	4.4
195.17520	100.0
196.17854	7.4
211.20689	5.1
212.33849	1.0
239.16440	2.7
239.20110	7.2
251.12927	1.8
251.20105	1.4
267.15997	72.4
267.19479	5.1
268.16321	4.8
268.58575	0.9
293.47067	0.9
295.19138	12.7
296.19467	1.0
311.18546	1.0
321.71402	1.0
371.20612	3.7
371.25504	1.9
371.29510	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	371.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08426	2.0
59.01384	4.6
61.98821	3.0
70.47175	3.9
78.01108	7.6
84.25935	1.9
125.99592	7.6
139.00406	4.9
183.01218	2.4
202.93414	2.1
208.10960	2.7
223.20621	2.5
247.20656	11.5
265.14423	5.2
293.42914	1.9
307.19159	8.7
309.20703	100.0
310.21011	8.1
311.16806	2.8
335.18619	2.9
335.22214	3.4
353.19525	8.6
371.22098	3.7
371.29456	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	371.2223
Annotation	Pelorol
Peak:m/z	Relative Intensity
51.25822	0.5
53.79995	0.4
59.01383	0.9
69.75881	1.7
71.11245	0.6
86.72733	0.5
98.21883	0.7
107.01399	0.5
117.03452	5.6
120.89928	0.7
124.01659	2.1
124.89131	0.8
137.02431	1.4
147.00853	1.0
147.04526	0.9
151.00383	2.0
161.02443	6.7
165.01909	1.3
173.93564	1.1
175.04005	1.7
175.90172	0.5
178.10983	0.5
189.02039	0.6
190.02692	6.5
191.03094	0.5
194.80423	0.5
203.03494	11.3
204.04224	4.0
217.04994	7.8
218.05704	0.5
231.06630	2.8
245.08241	2.1
257.91907	3.2
259.09763	2.3
265.14322	0.6
270.92725	0.8
271.90079	1.5
271.93439	0.6
273.11337	0.5
289.90952	1.3
299.16437	0.7
313.14392	2.1
314.15656	0.5
327.15967	9.6
328.16443	0.9
328.20364	1.9
341.17502	0.9
343.05933	0.7
371.05359	22.8
371.22223	100.0
372.05661	2.8
372.22537	13.0
372.27118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	8.7
183.37772	8.8
212.13438	8.3
219.17509	11.8
247.20566	11.7
289.21735	100.0
371.21823	16.5
371.25748	27.8
371.29672	18.4
383.69550	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	371.2589
Annotation	Nabilone
Peak:m/z	Relative Intensity
55.01872	3.7
55.18232	0.3
57.03440	2.5
59.01372	0.8
61.98825	0.5
73.02022	0.3
77.11661	0.3
81.03445	0.6
82.48079	0.3
85.44314	0.3
85.44889	0.4
95.05016	3.0
97.06561	0.6
98.09109	0.4
112.93707	0.3
113.09724	6.8
114.22820	0.3
122.03740	0.4
123.04542	0.6
123.08151	0.3
125.84419	0.4
136.05296	4.1
137.06088	3.5
139.11288	0.7
149.04897	0.5
149.06075	8.0
150.06557	0.4
157.44586	0.3
163.07635	0.9
175.07732	0.7
177.09248	0.6
183.01137	0.5
217.12117	0.4
217.15915	0.9
233.15378	0.6
234.16190	0.4
245.15457	2.8
257.15494	3.0
273.18591	15.2
273.21536	0.8
274.18942	1.5
311.16931	0.9
327.26822	0.4
343.22910	0.4
353.24863	0.6
371.25873	100.0
372.21832	0.4
372.26215	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	371.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.6
69.80305	1.2
69.80655	2.2
75.32697	0.8
82.72507	0.6
95.05005	1.7
111.24466	0.7
136.05310	5.2
137.06038	1.3
149.06075	7.3
163.07663	1.5
204.58783	0.9
207.19080	0.9
212.19910	0.8
259.16986	1.3
273.18604	22.4
274.19373	8.7
283.17044	2.0
301.18137	9.0
301.21512	1.1
302.18793	2.6
334.17767	3.3
339.57990	0.8
343.26474	1.8
353.24786	12.8
354.25290	1.3
371.25888	100.0
372.26212	12.2
394.50781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
57.03445	0.9
59.01357	1.5
61.98830	1.8
71.42973	0.8
83.05021	1.1
95.05011	2.1
96.73388	0.7
111.94335	0.6
136.05280	4.7
137.06084	0.8
149.06105	4.2
162.83955	1.8
165.12784	1.6
171.88843	0.8
177.09164	1.1
203.14403	1.6
205.12502	1.0
247.13351	4.4
263.16550	16.7
264.16782	1.0
265.14560	1.1
275.16553	6.1
276.16934	0.9
311.17221	0.8
353.24747	1.2
371.25876	100.0
371.88647	0.7
372.26218	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	371.259
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
59.01389	2.0
59.27556	1.1
60.35699	1.3
61.98810	3.6
70.02974	1.9
70.03307	2.5
92.92788	1.6
116.92791	1.7
119.94714	1.4
121.02946	1.8
122.03729	17.8
135.04524	5.1
137.02480	1.3
149.06050	3.2
162.83945	2.5
163.07658	2.5
169.78696	1.3
176.81717	1.3
177.09254	1.9
247.17064	1.4
273.18604	20.2
283.17230	2.2
301.18082	5.8
302.18637	1.8
311.16800	2.0
317.17529	1.9
334.17862	5.3
343.26471	8.1
353.24908	12.0
354.24982	1.8
371.05447	2.9
371.22357	4.5
371.25900	100.0
372.26160	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	371.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	7.3
57.03434	1.6
59.01373	10.0
61.98817	3.5
69.41457	1.4
69.80469	4.7
95.05033	6.1
109.06581	2.3
121.02900	2.2
121.10235	23.8
135.04430	1.6
136.05301	15.6
137.06071	3.7
149.06065	21.4
162.83881	3.5
163.07649	5.5
191.10698	3.2
205.12410	2.5
214.53694	1.5
249.14954	54.9
250.15326	3.4
253.90913	1.7
260.77704	1.9
261.15448	3.0
261.18585	46.1
262.18839	3.7
263.16428	3.0
278.07700	1.8
289.18002	15.1
313.21722	7.1
327.25607	2.2
343.26450	3.4
353.24820	94.4
354.25259	12.7
371.25873	100.0
372.26266	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	371.28
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08638	0.5
57.03450	6.0
59.01350	1.9
68.99804	1.0
69.21257	2.4
73.02915	0.8
75.32953	0.5
86.36569	0.5
86.59053	0.4
89.02430	0.7
91.03973	1.7
96.02177	0.8
101.17471	0.4
123.00902	0.6
124.01649	1.8
137.02432	0.9
152.01134	1.7
165.01915	1.8
179.03448	0.6
222.08810	0.7
253.25345	43.8
254.25708	3.5
279.23276	100.0
280.23587	7.4
297.24384	2.2
309.20786	1.1
334.36621	0.5
335.22415	1.2
357.24286	0.5
371.22263	20.7
371.27798	2.9
372.22495	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	372.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86743	1.3
54.14750	1.2
59.01373	10.8
60.01699	1.4
66.17930	1.3
69.03446	4.9
69.48402	5.1
71.01373	4.7
72.01678	2.2
72.99303	1.5
74.05812	1.6
74.89373	1.4
75.00859	4.2
79.01889	5.8
85.02959	4.7
86.03297	1.5
87.00871	2.3
95.01413	1.5
97.02935	4.1
98.21897	3.1
99.00893	2.2
107.01376	15.8
109.02968	2.8
113.02432	6.6
121.02963	19.7
122.03266	12.6
125.02412	9.3
135.00865	9.4
136.01720	1.7
151.00378	14.2
151.03981	8.2
151.32257	1.4
153.01938	3.9
161.04552	2.1
163.03906	1.6
166.02704	100.0
167.03479	16.5
168.99928	1.7
177.01945	2.3
204.99010	1.3
209.04475	3.3
210.26646	1.2
232.05473	2.0
240.08241	1.3
249.06134	10.4
250.06554	12.7
271.89264	1.4
295.49319	1.4
311.10956	1.5
329.08749	62.2
330.09045	6.0
372.10141	22.1
373.10117	2.1
376.05576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99678	1.4
55.01852	1.3
57.03427	2.7
59.01378	26.4
61.25686	1.2
61.98826	10.5
67.01904	1.2
68.99807	2.5
69.03461	1.6
70.45666	2.6
71.01384	20.4
72.99302	5.3
73.02941	2.3
75.00867	14.7
75.06212	1.1
78.03469	2.0
81.03442	1.4
83.01410	1.6
85.02946	18.3
87.00870	3.9
89.02447	7.5
95.01381	4.8
97.02920	1.6
99.00906	9.4
101.02444	2.5
109.02950	4.2
111.00864	2.0
113.02444	21.2
115.00401	1.8
117.01926	1.6
119.03449	1.3
122.02483	65.7
123.02827	1.4
123.04559	1.8
125.02401	1.5
149.06129	1.5
150.43141	1.1
151.03987	1.9
153.01932	5.6
165.01917	1.6
167.03554	1.6
169.01437	1.7
175.02454	2.4
193.01410	23.0
193.05049	4.3
194.01750	8.5
207.02827	1.1
211.06082	1.7
231.05043	5.3
235.02525	1.8
236.02847	1.3
249.06139	100.0
250.06500	6.4
252.22643	1.1
313.05630	14.1
314.05942	16.6
328.21109	1.4
372.09311	37.3
373.03796	1.6
373.11395	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	372.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86420	2.8
63.27021	2.7
70.33325	5.8
96.14103	3.1
99.91965	5.4
99.92583	82.6
99.93245	4.5
100.92635	5.2
100.93354	4.5
113.49128	2.8
115.92068	7.2
116.92847	12.7
118.89967	77.8
119.89984	4.8
119.90788	7.6
129.55380	2.7
134.89523	6.4
135.90253	22.9
183.92923	2.6
293.45343	3.0
307.19272	4.7
336.13858	19.5
372.11609	100.0
373.11707	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	372.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
59.01349	0.3
61.24601	0.3
61.98822	0.5
81.03468	0.4
93.07708	0.3
99.92575	3.3
109.02946	1.3
110.03718	2.3
115.92052	0.7
116.92854	0.5
118.89974	3.2
119.90814	0.3
125.02429	0.9
126.42639	0.3
134.89462	0.5
135.90225	1.2
137.02425	1.5
137.06064	1.3
138.03227	5.8
139.03976	0.4
142.02705	0.7
146.54944	0.4
165.01918	0.5
166.02693	4.5
179.03473	0.6
180.04257	1.9
198.01617	0.7
261.18619	0.4
279.19635	6.9
280.19962	0.6
307.19116	100.0
308.19458	8.9
327.48779	0.3
329.17209	2.0
334.24667	0.5
336.14001	1.2
368.95682	0.3
372.11627	4.1
372.17853	8.5
373.11896	0.4
373.18237	0.8
373.27469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.3
61.98828	100.0
69.88010	3.7
69.88376	3.5
98.34143	1.6
109.54637	1.5
111.47956	1.5
112.46617	1.8
117.21847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11071	2.6
59.01358	4.7
61.98827	100.0
69.87732	5.7
71.14420	2.5
92.06181	2.7
98.74421	3.5
99.65646	2.5
134.95877	2.7
142.58501	2.7
143.41068	3.2
143.74155	2.9
162.97896	2.8
214.96342	2.8
243.94524	2.8
312.68167	4.5
388.07278	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
67.21732	0.7
69.78500	2.7
93.24406	0.8
105.65517	0.7
106.82674	0.7
113.30293	0.9
118.66349	0.7
136.83459	0.8
149.59662	0.8
224.55751	0.8
241.18112	1.0
249.37149	0.7
374.55991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64790	1.4
61.98829	64.1
63.87543	1.7
69.51357	1.7
69.53281	2.5
69.53625	5.0
70.59815	1.6
87.69214	1.6
98.22646	2.9
117.86276	1.4
122.03741	2.5
125.99593	9.7
278.98364	1.6
287.20316	4.0
305.21170	2.4
309.20694	100.0
310.21152	9.6
355.26636	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	372.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93258	35.7
62.43998	31.1
66.77998	30.3
69.92257	33.9
70.75380	33.1
74.04003	31.2
87.53805	29.3
89.28020	31.5
93.13743	29.8
97.14478	36.6
262.35895	35.3
290.47110	33.3
331.61334	49.4
345.23965	38.9
373.23663	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	0.9
61.98835	1.0
69.07030	4.1
71.01366	3.4
73.02941	1.6
83.05055	0.9
85.02966	1.6
89.02462	1.2
91.01902	1.6
93.03480	2.0
96.96036	1.7
98.22613	1.4
101.02452	2.7
107.05006	0.7
113.02458	1.3
119.01395	1.2
121.02979	2.6
125.02481	0.8
137.02457	3.4
137.03421	0.6
149.06097	0.7
151.04005	54.1
152.04453	1.9
161.04555	4.5
203.46974	0.7
281.03491	0.8
373.15039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Citrifoside
Peak:m/z	Relative Intensity
55.01883	0.9
57.03433	0.7
58.00578	0.7
59.01379	47.1
69.77006	0.5
71.01383	19.0
72.01692	0.5
72.66044	0.5
72.99292	1.1
73.02937	0.8
83.01394	1.1
85.02943	5.4
87.00882	0.7
89.02444	20.7
92.18417	0.6
95.01373	1.7
99.00887	0.6
101.02448	11.2
101.34846	0.6
108.02241	0.7
113.02435	6.5
119.03504	6.5
123.00826	0.8
123.04520	1.2
124.01652	2.1
125.02484	1.5
125.06081	1.0
131.03444	0.6
134.03671	0.6
137.02472	0.7
138.03218	1.4
139.00372	1.0
139.03996	0.8
147.15944	0.7
149.02448	0.7
149.06030	2.0
150.03204	2.5
151.04044	1.0
153.01991	3.0
153.05530	0.8
165.01926	1.3
166.02693	0.7
167.03587	1.2
167.07178	3.6
168.04253	1.0
169.05141	1.0
177.01888	2.6
178.02713	61.5
179.03258	4.3
179.05489	0.6
180.00635	4.0
180.04216	1.2
181.01483	0.7
182.02266	0.7
193.05052	100.0
194.05408	3.9
195.02975	7.6
196.03687	1.9
197.04663	1.2
211.06119	14.2
212.06433	0.7
225.04039	0.9
292.14053	0.7
358.08759	1.9
373.11383	44.2
374.11792	3.4
377.44122	0.7
397.44476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1138
Annotation	Citrifoside
Peak:m/z	Relative Intensity
59.01379	100.0
66.10621	1.2
69.24908	8.0
70.58594	1.4
71.01381	5.7
74.10200	1.4
85.02930	2.2
88.74191	1.4
89.02456	5.0
93.03436	2.2
94.61369	1.4
95.01378	4.4
98.21879	3.2
101.02461	3.2
102.02738	1.2
107.83155	1.2
109.02927	2.3
109.91585	1.2
113.02431	5.0
117.42328	1.4
119.03481	1.6
123.00876	6.8
123.04500	2.8
124.01648	6.6
125.02446	6.6
139.00378	3.5
151.00363	7.1
151.04005	68.8
152.04832	9.4
153.01965	2.4
154.02686	2.4
164.70715	1.5
167.03500	2.7
169.01411	7.3
169.05151	2.0
176.98221	2.3
178.02667	1.5
193.05040	3.3
194.99370	4.7
196.03748	8.0
211.06152	13.8
221.75726	1.5
222.98766	2.4
280.43866	1.6
283.08218	1.6
355.02991	2.0
373.04370	6.6
373.11362	41.9
373.15845	2.9
374.11624	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	0.9
61.98835	1.0
69.07030	4.1
71.01366	3.4
73.02941	1.6
83.05055	0.9
85.02966	1.6
89.02462	1.2
91.01902	1.6
93.03480	2.0
96.96036	1.7
98.22613	1.4
101.02452	2.7
107.05006	0.7
113.02458	1.3
119.01395	1.2
121.02979	2.6
125.02481	0.8
137.02457	3.4
137.03421	0.6
149.06097	0.7
151.04005	54.1
152.04453	1.9
161.04555	4.5
203.46974	0.7
281.03491	0.8
373.15039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85329	1.3
59.01380	100.0
60.01714	1.1
60.98071	1.4
69.34093	3.9
71.01377	1.7
73.02945	1.2
75.30031	1.3
93.03487	2.2
93.39185	1.3
98.22573	2.9
101.02426	1.7
104.54047	1.0
113.02425	1.8
113.78420	1.3
119.03485	1.3
123.00897	2.0
124.01685	2.0
145.30876	1.3
151.00403	2.3
151.04005	70.6
152.04599	3.8
169.01401	1.8
193.05055	2.4
194.99364	1.4
196.03786	3.0
203.44334	1.1
211.06078	3.4
373.11285	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	373.1137
Annotation	5-Deoxyeustomoside
Peak:m/z	Relative Intensity
53.70990	0.6
55.76066	0.7
57.03431	0.7
59.01379	27.7
59.04264	0.8
59.04573	0.8
65.27448	0.8
66.76446	0.6
69.75989	2.6
71.01379	11.9
72.99301	0.7
75.00852	1.1
77.87572	0.6
85.02946	2.2
89.02448	13.8
91.01900	0.8
93.03416	0.7
95.01384	2.0
101.02445	8.4
108.02175	14.8
109.02959	2.7
111.00838	0.8
113.02445	4.3
119.03495	5.0
122.03748	1.3
123.00884	3.3
123.04517	3.7
124.01662	1.5
125.02403	1.8
132.45859	0.7
134.72824	0.7
134.73924	0.8
135.04526	1.6
136.01643	3.7
137.02454	0.8
137.06035	1.2
137.99545	0.9
139.03963	1.1
149.02452	2.3
149.06059	2.3
150.03235	10.5
151.04012	6.4
152.04790	23.7
153.01918	2.8
153.05188	1.1
165.05562	3.0
167.03517	1.6
167.07126	8.7
168.04208	1.5
169.05048	2.0
177.01973	3.4
178.02708	42.9
179.03015	1.6
179.05592	0.8
186.31726	0.8
193.05049	100.0
194.05396	5.5
210.05261	1.1
211.06122	36.5
212.06505	2.1
212.87750	0.7
254.36375	0.7
292.47778	0.7
305.06558	0.8
314.77478	0.9
373.11453	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63853	1.0
56.26543	1.0
57.23599	1.1
58.00595	1.1
59.01378	28.3
71.01374	10.8
72.99294	1.6
73.02938	1.7
78.95898	1.4
80.76340	1.0
82.00608	1.2
83.01379	2.1
85.02959	5.1
87.00871	4.3
87.92550	1.4
88.98788	3.1
89.02443	11.8
96.96010	1.5
101.02444	7.8
103.92073	2.2
107.05042	1.3
108.02183	8.2
109.02959	3.1
110.00102	7.2
111.00874	5.1
113.02458	6.9
115.49016	1.1
119.03501	4.3
121.02918	1.2
123.00879	1.7
123.04510	4.2
123.94548	1.0
124.01613	1.9
125.02454	10.9
128.96465	1.1
134.03741	3.7
136.01691	2.1
137.99586	10.0
139.00395	9.8
145.96713	2.1
149.06062	4.0
150.03232	3.9
151.03998	3.4
152.01172	1.6
152.04764	3.3
153.01933	100.0
154.02724	12.8
158.93846	1.7
161.04547	1.2
161.96233	2.8
165.05547	1.8
167.03520	6.7
167.07059	2.4
168.04283	45.2
169.01431	3.9
169.05057	28.3
178.02704	18.3
179.03217	1.9
183.02960	1.1
191.02046	1.3
193.05051	39.6
194.05339	1.9
199.94150	2.0
209.04572	1.2
211.06111	8.7
272.44312	1.2
275.08072	1.3
313.11890	1.2
373.07574	1.0
373.11502	8.9
374.11169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1501
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
55.01872	3.3
57.03444	3.4
58.00581	1.2
59.01379	39.9
60.01720	0.6
60.26320	0.7
61.98829	23.2
69.58316	0.5
71.01379	27.3
72.01723	0.7
72.99294	1.0
73.02941	12.3
75.00884	0.6
82.95427	1.2
83.01389	7.7
85.02950	15.1
86.00101	2.6
87.00877	2.8
89.02436	10.0
95.01369	3.0
97.02929	1.1
98.22682	1.7
99.00344	0.7
99.00864	3.7
101.02442	28.7
101.92304	0.6
106.74380	0.6
109.02908	0.8
111.00882	0.7
113.02455	10.0
119.03493	2.6
119.04992	0.8
125.02436	1.4
129.01999	0.6
137.02420	1.5
137.69356	0.6
150.03236	2.3
151.03996	4.0
152.04799	2.1
153.05513	0.7
159.03004	0.9
161.04575	1.6
163.04037	2.6
164.04866	0.9
165.05556	1.8
178.06357	0.9
181.05060	18.7
182.05696	2.0
183.06589	0.9
196.05600	1.4
196.07399	22.5
197.07933	2.7
209.08174	1.2
210.05229	0.8
210.08540	1.2
210.31229	0.6
211.09776	41.8
212.10083	2.5
225.07686	2.2
253.07127	0.7
325.10938	0.9
339.73367	0.8
358.12701	4.9
373.15018	100.0
374.15366	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.8
57.03445	3.1
58.00587	0.8
59.01378	46.6
61.98829	37.8
69.28917	2.1
71.01380	27.8
72.99295	1.7
73.02945	12.1
75.00866	0.7
76.37763	0.5
82.95425	2.7
83.01389	9.7
85.02948	16.5
86.00079	2.6
87.00880	4.4
89.02448	10.2
95.01377	3.7
97.02939	1.1
98.21908	1.1
99.00892	4.4
101.02443	29.3
107.05022	0.7
111.00883	2.4
112.75697	0.7
113.02453	11.1
119.03506	3.2
125.02466	1.7
135.04578	1.2
137.02441	2.5
138.03207	0.8
138.05542	0.8
143.03441	0.8
148.95052	0.6
150.03275	1.6
151.04034	3.6
152.04803	2.0
152.07201	1.0
153.01990	0.7
159.02960	1.5
161.04558	2.7
163.03987	3.5
164.04807	1.5
165.05556	2.5
167.05769	0.6
168.35255	0.6
169.01460	0.8
178.06372	1.1
181.05058	22.3
182.05664	2.2
196.07404	27.3
197.08092	3.3
209.08183	1.7
210.05426	0.9
210.08621	0.7
211.09781	42.3
212.10147	2.2
218.08505	0.8
225.07750	1.5
239.09399	0.6
245.96989	0.6
263.19315	0.6
281.10376	0.6
358.12759	5.0
373.15015	100.0
374.15417	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	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34475	1.2
59.01376	100.0
71.01375	3.2
75.42267	1.1
85.02942	1.6
89.02463	1.5
101.02441	3.7
118.06828	1.3
165.09186	3.7
173.92366	1.2
207.13860	1.1
209.11858	1.7
225.14954	61.5
226.15228	5.3
269.13922	10.4
269.17383	2.7
327.14548	9.0
329.16095	5.9
373.18747	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	373.1687
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
59.01368	5.3
61.98811	2.8
63.96235	60.1
73.78175	1.3
79.95730	100.0
80.96513	37.5
96.96027	5.1
119.98881	4.3
124.65474	1.1
129.86874	1.5
137.09744	1.3
171.10219	8.2
173.06396	11.2
189.05894	48.8
190.06279	1.5
201.11273	11.4
215.96017	2.1
237.10658	1.5
240.75340	1.4
266.01208	1.5
267.33109	1.4
275.20166	2.0
291.19446	2.6
293.21167	3.8
355.15909	6.4
373.12137	3.2
373.16873	54.3
374.17047	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	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.8
69.69180	7.9
71.01405	3.7
75.50186	3.0
96.96011	15.5
111.00833	4.1
193.15996	4.0
195.17529	100.0
196.17828	6.3
207.17577	5.0
227.20183	19.6
251.16536	13.6
252.17299	15.6
255.19612	10.0
267.16019	49.8
268.16101	4.0
279.15860	8.1
283.19153	17.9
296.16260	12.1
297.17059	18.6
299.18756	3.4
311.18661	22.8
355.17557	45.4
356.18069	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	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.43378	1.2
59.01380	100.0
60.01704	1.2
61.98825	3.9
69.42282	2.5
69.42685	3.9
71.01381	19.3
73.02950	5.3
83.01382	1.9
85.02953	6.3
87.00902	2.4
89.02448	9.8
95.01344	1.8
98.21812	1.6
101.02447	13.9
109.02961	1.3
113.02440	5.6
119.03510	3.7
120.45293	1.2
143.03616	1.6
146.27553	1.2
147.51474	1.2
155.09152	1.4
161.04521	5.7
174.83559	1.1
209.11909	2.2
238.30145	1.2
331.17575	8.0
353.89865	1.1
373.17953	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16384	0.5
50.26038	0.6
53.66327	0.5
57.03448	1.2
58.42147	0.6
59.01379	100.0
60.01760	0.6
65.83276	0.6
69.46905	2.4
69.47241	1.0
71.01379	8.0
72.99325	1.5
73.02952	2.3
74.20193	0.6
74.36880	0.6
74.99116	0.6
83.01405	1.2
85.02953	3.0
87.00906	0.8
89.02467	1.5
91.81664	0.6
98.21802	0.7
99.00935	0.9
101.02439	4.2
113.02469	2.4
161.04547	5.2
181.12267	0.9
212.79901	0.6
225.11485	2.5
225.14941	5.3
264.40216	0.7
269.14120	1.4
284.96353	0.7
294.15427	0.7
331.17700	3.0
347.74756	0.6
373.18762	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	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.85578	0.3
55.01861	0.6
59.01380	100.0
60.01725	0.9
63.90099	0.3
69.36732	1.6
70.31503	0.3
71.01377	4.7
73.02940	1.9
83.01409	1.1
85.02950	3.1
87.00846	0.3
95.01421	0.4
99.00909	0.9
101.02449	4.3
102.73097	0.3
113.02454	2.6
122.32195	0.4
132.42844	0.4
135.98128	0.3
161.04544	2.8
248.57362	0.4
325.81885	0.4
331.17532	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22916	0.5
52.94044	0.5
55.01875	0.7
57.03435	0.7
58.16266	0.6
59.01376	100.0
60.01717	1.1
61.98804	1.1
64.71825	0.5
69.11787	1.5
69.12188	2.2
71.01380	16.7
72.99308	0.7
73.02945	1.9
83.01385	1.8
85.02937	6.0
86.88702	0.6
87.00877	0.8
89.02439	18.4
90.25587	0.5
95.01412	1.7
96.39391	0.6
99.00900	0.8
101.02441	11.1
113.02441	7.8
119.03503	8.3
121.03010	0.6
125.42218	0.6
127.22023	0.6
136.40903	0.8
143.03574	1.0
151.43561	0.5
159.03111	0.8
161.04538	3.9
165.09230	5.6
168.61868	0.6
179.05655	0.8
186.83502	0.5
193.12346	2.1
206.07100	0.5
253.06096	0.9
269.17697	1.2
313.11145	0.7
327.14420	9.2
327.17719	0.7
328.14923	1.1
331.17691	1.9
373.10849	0.7
373.18683	12.8
374.19266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42785	0.4
57.03438	0.5
59.01376	100.0
60.01704	1.1
60.24981	0.3
61.57594	0.3
61.98827	0.9
62.86321	0.3
71.01379	8.7
72.68635	0.3
73.02944	8.4
75.00873	0.5
83.01375	1.9
85.02948	2.4
87.00892	0.7
89.02438	5.5
95.01395	0.6
99.00852	0.6
101.02438	7.7
103.04047	0.4
110.06997	0.4
113.02430	4.8
118.60482	0.4
119.03510	2.4
125.02537	0.6
126.26621	0.4
131.03557	0.7
135.98357	1.1
143.03519	0.8
161.04594	1.6
179.05690	0.5
215.96080	0.5
229.58792	0.4
269.17719	0.5
273.71683	0.4
304.03134	0.4
331.17764	1.6
373.17651	1.6
373.22659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01376	15.9
60.65313	0.8
69.29468	1.9
69.29876	3.1
70.72859	0.9
79.30597	0.8
83.36948	0.8
83.62466	0.8
93.03489	1.0
93.07088	0.9
97.06600	1.8
98.22601	1.9
101.49864	0.8
121.10236	17.9
122.10522	1.2
123.04497	0.9
125.09720	6.2
128.09303	0.9
141.12862	0.8
147.08244	1.3
172.37199	0.9
185.11835	11.2
195.17554	9.7
197.11803	3.0
199.98743	0.9
207.10078	4.8
209.11844	1.7
211.13388	1.8
227.20161	0.9
245.19130	9.7
247.20670	1.1
251.16608	0.9
255.19554	3.0
267.16107	1.1
273.18387	1.1
283.19147	6.6
291.19666	61.3
292.19983	4.6
311.15927	1.2
311.23599	1.1
313.17856	100.0
314.18137	9.1
329.24866	1.0
355.17908	1.4
355.22638	3.2
373.19684	1.3
373.23886	12.4
374.24002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.8
61.98831	6.7
70.73039	1.3
74.70333	1.7
83.75042	1.3
102.68031	1.3
116.85907	1.5
146.73451	1.3
150.10493	1.6
165.12840	20.8
199.98788	2.8
215.95972	1.8
244.10826	3.4
247.20662	10.6
273.18585	4.5
291.19656	100.0
292.20004	11.0
313.17804	14.0
373.19925	19.6
374.20117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2382
Annotation	Androst-4-ene-3alpha,17beta-diol diacetate
Peak:m/z	Relative Intensity
55.01875	6.6
57.03437	4.9
57.10884	1.0
57.70715	1.3
59.01373	2.9
61.98815	3.4
66.65215	1.1
67.70651	0.9
70.36204	1.4
70.36532	1.4
81.03456	17.3
92.92809	1.4
93.07095	1.1
95.05010	4.8
113.09725	8.5
121.06596	2.0
122.03732	1.2
123.04536	1.4
125.02425	1.2
136.05264	2.8
137.06087	66.1
138.06433	1.4
141.49185	1.0
149.06053	4.1
163.07608	1.5
165.05556	3.9
182.27066	1.0
199.98756	1.7
205.15924	1.3
215.95938	2.1
219.17485	1.8
242.68582	1.1
247.16982	2.5
259.16953	3.7
265.14346	4.5
331.18933	2.2
331.22794	34.8
332.23163	2.7
345.24316	25.4
346.24777	1.9
357.23016	1.2
373.23581	34.2
373.27438	100.0
374.23868	5.1
374.27847	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.238
Annotation	Androst-4-ene-3alpha,17beta-diol diacetate
Peak:m/z	Relative Intensity
59.01362	1.3
64.30242	0.5
64.73753	0.4
69.77094	1.3
79.05521	1.3
81.03451	26.6
82.03764	0.5
97.06596	0.5
98.22493	0.6
121.06577	1.2
122.03754	1.6
123.04517	100.0
124.04862	3.0
165.05548	3.3
181.75233	0.5
214.57298	0.4
289.21753	0.8
331.22748	34.4
332.23062	4.2
373.23807	57.6
374.24118	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	373.2383
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
55.01875	3.0
59.01396	1.7
61.98842	1.6
64.01360	0.5
69.81841	2.0
77.03991	1.0
81.03437	0.6
85.00474	0.8
87.00903	1.6
95.05038	2.0
96.75888	0.6
102.98009	0.5
105.03469	1.2
122.03728	10.1
122.04493	0.8
130.08820	0.5
135.04549	2.1
136.05313	2.5
137.06110	1.0
149.06070	3.5
151.03996	0.6
163.07661	1.7
172.30745	0.6
175.07648	0.9
177.09187	1.1
179.04433	0.5
199.98703	0.6
215.96007	0.6
228.56082	0.7
242.58107	0.7
247.20596	2.1
265.14511	2.0
285.22134	1.3
287.20151	2.5
301.21762	10.8
301.25345	1.4
302.21997	1.1
303.23264	86.0
304.23618	8.9
329.21085	1.7
329.24844	5.9
345.24268	6.4
346.24527	1.0
355.22382	1.0
355.26392	9.0
356.26633	1.2
365.76907	0.7
373.23734	100.0
373.27499	7.0
374.24078	12.9
374.27820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2744
Annotation	Irisquinone A
Peak:m/z	Relative Intensity
55.01871	0.5
59.01374	0.3
61.98822	0.2
65.00311	0.4
67.68075	0.1
71.92848	0.1
81.03450	28.5
82.03800	0.6
87.00568	0.1
90.99376	0.1
93.07103	0.7
95.05030	1.7
96.65176	0.1
99.92609	0.1
107.05016	0.5
109.06590	0.1
116.92868	0.1
122.03735	1.2
123.04500	0.4
133.06519	0.1
135.04494	0.2
135.08080	0.1
136.05304	0.5
137.06076	100.0
138.06418	3.7
138.07509	0.2
138.11401	0.1
151.03951	0.2
265.14572	0.3
317.24835	0.2
331.22824	0.1
331.26276	0.1
331.69763	0.1
373.27441	70.9
374.27786	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	373.2746
Annotation	Irisquinone A
Peak:m/z	Relative Intensity
55.01878	6.4
59.01377	1.6
61.98832	0.9
70.66766	1.2
86.87411	0.6
92.56408	0.6
95.05019	2.8
121.02967	0.6
136.05302	2.9
137.06038	1.4
138.24283	0.6
149.06075	5.8
150.98819	0.9
151.04036	0.6
163.07690	1.4
185.97591	0.6
199.98790	1.0
208.97597	4.9
215.95990	1.3
217.00308	0.9
225.00766	4.0
266.96207	0.7
322.87222	0.6
329.24850	29.5
330.25256	3.7
355.26425	8.7
356.26901	1.5
357.01385	6.7
358.01389	2.7
358.99258	1.2
371.25967	1.1
373.04370	2.0
373.27438	100.0
374.04358	0.8
374.27786	14.2
375.02426	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	373.2745
Annotation	Irisquinone A
Peak:m/z	Relative Intensity
55.01877	4.2
59.01366	1.5
64.55327	0.5
70.79910	0.9
86.26499	0.5
86.27074	0.5
95.05003	2.0
97.02943	0.7
123.29114	0.5
131.25403	0.5
136.05263	1.5
149.06035	1.3
275.23788	2.2
331.26404	100.0
332.26736	11.2
373.27475	51.3
374.27737	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.5
59.01370	1.7
61.98832	1.5
69.19299	4.7
74.99100	1.3
76.51350	0.7
80.83469	0.8
89.04256	0.8
95.04996	2.2
106.63141	0.8
136.05276	4.3
141.96057	0.7
146.85367	0.8
149.06091	5.9
150.98862	1.3
163.07698	1.9
165.03017	0.7
191.10754	1.1
192.95842	0.9
199.98598	1.1
208.97618	8.1
215.95978	2.1
225.00752	9.3
226.00705	0.9
243.01773	1.1
264.77399	0.8
266.96445	1.2
282.99533	1.9
329.17068	1.0
329.24857	26.7
330.25262	3.7
355.26428	9.3
356.26791	1.2
357.01440	11.2
358.01648	4.0
358.99332	1.9
371.26062	1.3
373.04401	3.9
373.27460	100.0
374.27902	11.1
375.02380	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	373.2746
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.01878	9.6
59.01373	5.0
59.47928	1.7
61.98803	2.1
62.69286	1.9
69.05004	1.9
69.38988	8.7
81.03477	1.8
84.93210	1.8
85.00441	8.0
95.05050	3.5
105.20968	1.8
113.09644	1.9
136.05278	9.3
137.06059	3.4
142.17937	1.8
149.06088	12.3
152.01213	2.7
163.07658	3.8
171.97128	1.8
199.98798	3.6
215.95996	6.2
217.00157	1.9
227.16505	3.6
235.13370	28.8
261.18652	2.2
265.14453	26.7
266.14902	3.4
273.18570	5.3
287.20132	76.8
288.20459	6.5
353.24829	2.1
354.26282	1.8
355.26401	100.0
356.26807	13.0
373.23898	3.1
373.27457	69.0
374.27780	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	373.2745
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.01632	0.5
55.01875	4.9
56.42064	0.4
57.03421	2.0
57.48897	0.5
59.01355	0.8
61.98815	0.7
66.15417	0.5
69.47121	2.2
70.87452	0.4
75.97299	0.5
80.05643	0.4
95.05013	2.6
97.06556	0.5
103.69558	0.5
113.09718	4.9
124.27679	0.5
136.05283	4.3
136.81924	0.4
137.06058	1.7
149.06073	5.9
163.07686	1.5
167.68343	0.5
199.98727	0.7
215.96002	1.2
219.17529	1.5
237.28792	0.6
241.68913	0.5
247.17017	1.0
253.92880	0.5
259.17081	1.8
273.18573	21.3
274.18890	1.6
353.24982	0.5
355.26389	21.5
356.26804	2.8
359.57205	0.5
373.27435	100.0
374.27774	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	373.2745
Annotation	Irisquinone A
Peak:m/z	Relative Intensity
50.67102	0.2
51.80114	0.2
54.65432	0.2
69.35386	1.3
86.14214	0.2
86.80553	0.2
87.31586	0.2
90.87552	0.2
93.03462	0.4
108.02169	0.4
109.02936	0.5
121.02968	0.4
122.03734	100.0
123.03993	3.0
135.04520	0.6
137.06076	91.3
138.06410	3.2
141.50447	0.2
154.02713	1.3
163.03996	1.1
173.75731	0.2
177.05548	1.3
197.09576	0.2
221.04628	0.2
237.89938	0.3
261.14819	0.3
277.21445	0.3
282.93201	0.3
305.21179	0.3
306.66324	0.2
331.26733	0.3
343.22876	0.2
359.25909	0.3
373.27444	88.2
374.27789	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	374.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11699	0.5
55.71876	0.5
61.98830	100.0
62.62574	0.5
65.57261	0.6
69.77106	1.6
71.01409	0.6
91.92690	0.5
98.22644	0.9
105.68908	0.5
159.45198	0.5
299.93607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00384	2.1
59.01376	62.6
63.55883	1.9
64.49020	1.9
71.01369	8.7
81.03434	4.3
83.01395	2.6
85.02940	3.7
89.02433	3.0
99.04528	2.3
101.02438	3.5
108.02182	2.2
109.02943	9.7
110.00078	3.5
110.57007	2.0
113.02450	4.1
118.95765	2.0
123.04518	3.1
125.02452	13.0
137.02448	8.3
137.99594	4.1
138.03148	2.6
139.00365	3.5
141.56367	1.9
149.06068	6.4
150.06427	2.6
153.01938	100.0
153.05464	3.3
154.02606	6.6
161.04553	7.2
165.01938	3.7
165.05563	3.4
167.03500	18.6
168.04272	43.8
168.07408	2.2
169.05051	20.5
174.99237	21.6
177.01895	6.3
179.03497	2.2
191.03531	2.4
193.04936	2.5
194.05496	3.0
195.02948	7.6
195.04633	2.1
199.98772	2.6
200.70555	1.9
211.06122	3.0
212.06389	2.9
215.95975	2.2
217.00270	71.4
241.05174	2.3
255.05089	2.8
259.05920	5.4
303.05133	15.9
321.06137	4.9
331.10327	41.5
374.11707	3.5
374.99008	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	374.1318
Annotation	ZM323881
Peak:m/z	Relative Intensity
55.29988	1.6
61.09880	1.9
69.35866	6.2
79.97137	1.8
98.21835	4.0
99.92583	94.2
100.92629	4.4
100.93353	4.6
115.92061	13.3
116.65776	1.8
116.92849	14.6
118.89120	3.7
118.89975	70.2
119.90000	2.8
119.90757	6.8
134.89485	6.7
135.90257	31.0
137.02428	2.4
137.06133	2.3
141.93684	2.5
155.95172	2.2
183.18257	1.9
263.44409	1.8
293.17593	5.3
332.23682	8.2
333.24396	8.6
338.15552	22.0
339.15686	5.0
374.13187	100.0
374.24014	4.2
375.13370	13.2
375.21268	3.5
375.25620	14.2
385.42792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78289	1.8
59.01371	8.5
61.98829	21.5
63.66106	1.8
72.78701	1.6
96.50848	2.2
96.80596	1.6
104.97363	1.8
111.00877	4.9
126.36036	1.7
159.08485	3.5
171.97038	2.0
174.99229	4.1
182.39218	1.7
195.17526	8.9
196.17880	2.7
199.98773	3.4
215.95920	8.6
217.00278	10.4
226.47375	1.7
249.04782	2.3
253.53766	1.7
293.21240	6.0
311.18625	100.0
312.18970	8.1
341.79205	1.9
375.21661	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	374.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41298	19.2
59.01374	100.0
61.98807	38.1
69.57068	79.5
70.74799	19.6
96.48974	18.9
115.20480	17.0
118.55830	17.1
123.04488	30.3
125.02394	41.4
141.32780	19.4
158.83670	19.6
161.78780	19.3
164.67664	19.7
167.30803	18.2
174.99092	20.5
211.08650	21.0
215.95866	24.0
217.00319	29.1
282.08691	26.5
305.23660	22.2
315.92242	19.3
374.14447	27.0
391.68481	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66032	5.7
59.01374	100.0
65.31036	5.4
67.39915	5.2
70.29038	6.1
71.01385	27.8
71.46117	8.0
73.02971	7.4
82.90935	5.8
85.02937	15.6
89.02444	23.8
89.61398	6.3
92.50896	7.3
101.02437	15.2
119.03484	9.6
161.04561	16.4
174.99269	14.3
199.98671	7.3
201.02580	8.9
212.94031	6.5
213.09351	6.6
215.95970	14.6
217.00288	66.7
331.17560	16.7
374.17990	18.3
375.20160	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	374.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21422	8.7
51.78354	7.4
57.22565	7.2
59.01379	61.8
69.61945	29.9
71.01379	35.4
86.02633	8.7
89.02450	14.0
101.02442	40.6
113.02429	15.7
119.03469	9.4
160.71867	9.0
161.04558	30.9
169.61353	9.5
217.00204	11.6
279.99457	8.1
319.80243	9.0
331.17554	100.0
332.17981	13.9
342.08157	10.0
374.18250	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	374.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74166	6.7
55.88847	8.3
59.01382	100.0
60.01699	8.7
60.85657	7.0
61.98817	10.5
67.48111	6.0
71.01389	15.5
71.44793	6.2
151.04024	17.7
152.04359	23.1
174.99178	6.9
175.99846	6.4
217.00294	13.5
316.09067	7.2
331.17615	10.5
374.18314	9.1
375.16171	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	374.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98830	11.2
67.87012	5.5
69.76462	16.0
71.01391	8.8
89.02459	7.4
98.22642	10.6
99.11388	6.7
101.02452	6.9
105.82214	6.1
174.99269	7.3
200.18451	7.6
212.72505	6.0
215.95927	8.5
217.00269	23.5
289.16504	7.6
289.56534	8.0
311.88672	6.8
327.65652	7.6
375.27286	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	374.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	23.4
61.98830	19.7
69.62272	53.9
71.01373	17.6
81.03445	20.4
83.05032	16.1
100.93331	16.3
101.02438	12.3
123.04504	100.0
251.09302	50.4
293.94019	12.8
295.08121	51.2
331.17548	35.9
374.18195	48.4
375.03748	41.4
375.17133	20.4
387.63727	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	374.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	15.3
61.98835	7.2
69.49094	19.7
71.01381	14.8
73.38773	4.5
76.49054	4.1
82.84707	5.1
85.02943	6.1
89.02440	10.9
101.02422	6.4
127.20655	4.4
161.04521	10.9
193.38075	4.4
195.10284	15.2
203.26956	4.4
217.00240	8.1
331.17673	7.3
332.17990	10.3
346.33566	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	374.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62683	7.1
56.91645	6.7
57.03447	6.6
59.01375	100.0
59.77197	6.8
61.98821	11.1
71.01371	14.8
73.02941	10.1
74.21014	6.6
101.02452	11.2
125.02407	14.5
150.03247	17.4
165.05562	19.2
174.99208	14.2
195.06580	9.3
217.00240	47.6
287.16855	11.4
327.12320	12.2
374.20392	7.9
388.04974	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	374.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01732	7.4
71.01377	12.0
73.02945	10.6
98.21860	16.7
101.02467	7.4
102.50218	5.9
113.97108	7.7
133.05344	7.1
158.71555	6.8
191.07193	7.1
194.13405	7.3
215.95966	7.2
217.00356	18.5
217.98740	7.4
319.68671	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	374.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68805	2.5
59.01377	100.0
60.01710	12.1
61.51373	2.2
61.98833	5.4
69.40212	10.7
71.01395	13.0
73.02911	3.3
85.02947	5.5
89.02432	4.8
101.02434	12.7
113.02477	6.4
161.04573	10.7
174.99188	3.1
217.00290	10.2
235.50027	2.1
331.17603	23.4
332.17978	4.2
374.17728	3.3
374.99631	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	374.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.76833	6.6
60.01708	7.9
69.32974	29.0
71.01369	8.4
71.33978	6.5
72.99268	7.8
73.37920	6.9
81.93629	7.3
160.80171	7.2
169.92989	6.4
301.20184	9.5
302.41135	7.6
323.62128	7.1
365.10251	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68414	1.4
59.01377	16.3
59.27745	1.7
61.72053	1.4
61.98826	100.0
63.99279	1.7
67.72302	1.4
70.69510	1.9
85.72838	1.7
98.21651	1.4
104.30995	1.5
124.03815	1.5
174.99225	5.0
176.02296	1.6
199.98761	3.1
215.95901	2.8
217.00281	20.5
251.50618	1.4
279.03735	1.5
302.59903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01784	2.5
59.01367	10.9
61.98827	100.0
69.40811	10.9
107.01224	2.2
135.01192	2.9
174.99234	3.9
181.61423	2.3
187.52672	2.5
199.98744	2.8
215.95979	5.1
217.00319	24.3
251.35202	2.4
336.06583	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	374.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.7
60.46255	2.2
61.98813	3.4
64.04801	1.9
65.20369	1.8
67.78802	1.9
69.97892	5.3
69.98242	3.5
81.03453	26.4
87.05303	2.7
90.42378	2.5
98.21880	2.8
123.04527	100.0
194.98213	2.2
199.98799	4.3
215.96051	6.0
217.00342	3.7
296.02615	2.4
331.22751	89.9
332.23053	9.2
358.18417	2.2
374.20480	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	374.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78773	5.5
60.24451	6.8
69.59863	14.4
69.60216	13.0
71.10377	5.8
98.22549	11.2
128.90109	6.5
137.02428	7.8
137.06078	8.6
247.20610	9.3
261.02707	7.2
289.21695	100.0
293.17572	15.6
327.23846	7.0
331.22702	90.2
331.26416	32.4
332.22745	12.4
332.26331	15.4
333.20657	11.3
333.24252	13.3
374.27240	17.5
375.21323	9.8
375.25513	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	374.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51498	1.4
65.54258	1.3
70.04028	2.3
70.04359	1.9
74.99075	2.9
76.47235	1.3
87.91808	1.2
91.27615	1.1
103.47492	1.4
109.02985	1.4
113.06922	1.1
123.04516	1.4
137.02422	2.2
159.08427	9.3
163.07632	2.3
199.29848	1.3
209.01297	2.1
210.13890	1.3
275.05865	1.6
277.07596	2.6
289.07501	1.8
289.21637	2.1
291.09097	92.0
317.21255	3.9
331.26309	5.8
332.23492	6.2
333.24332	4.3
357.13654	2.3
359.15332	100.0
375.18344	9.6
375.25305	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	374.992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62099	0.5
59.01375	60.2
60.01708	1.0
70.63953	0.9
90.97125	0.5
100.29646	0.4
131.64575	0.5
132.98221	1.7
153.57491	0.4
174.99232	26.3
175.13464	0.5
175.99493	0.5
200.94801	0.4
201.02530	1.0
217.00282	100.0
218.00616	3.3
223.23468	0.4
294.51938	0.4
374.99179	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	375.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.2
61.80570	0.4
61.98803	0.5
69.88992	1.1
71.01358	0.5
79.05535	1.2
81.03445	13.8
83.05016	14.2
96.95998	4.6
123.04516	100.0
124.04827	4.0
127.04000	0.9
147.08127	1.1
149.02411	1.2
159.04463	0.6
165.09247	0.8
171.08124	0.5
189.09161	5.0
190.02721	1.3
191.03526	1.2
191.07178	0.5
204.04227	0.9
207.23166	0.5
215.06935	2.1
217.00313	0.6
233.08141	8.6
234.08453	0.4
251.09221	45.6
252.09592	3.0
259.06085	1.1
277.07141	10.8
278.07523	1.0
295.08197	51.0
296.08487	3.4
331.04834	2.2
357.02719	3.7
357.15640	1.0
375.03860	23.5
375.16595	1.7
376.04150	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	375.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27673	1.0
52.15259	1.0
59.01376	21.0
61.98830	8.6
63.85002	1.0
65.03936	3.3
67.01889	1.2
71.01373	3.6
71.42896	0.9
82.95412	1.5
85.02943	2.5
89.02441	2.4
96.95994	6.1
101.02440	3.6
105.90623	1.0
108.02162	3.3
109.02951	49.7
113.02458	3.6
121.02952	1.9
123.04535	3.0
124.04022	3.2
125.02423	5.6
133.02911	1.8
136.03998	1.1
137.02438	1.8
139.03938	2.2
148.01718	1.5
149.02446	3.9
150.03192	1.9
151.04010	3.3
153.01933	100.0
154.02249	3.3
154.05127	1.2
161.04524	1.5
163.03952	1.6
165.01888	1.2
165.05536	5.7
167.03503	10.8
169.01433	7.5
174.99289	4.2
177.01912	22.1
178.02214	1.3
179.03485	2.0
189.01910	1.5
193.01407	4.6
195.02965	11.0
195.06590	2.3
207.02948	11.3
215.02307	1.9
217.00243	15.3
225.04079	11.4
251.73250	1.2
255.05067	4.2
271.01260	2.9
286.09381	1.1
298.66528	1.4
313.05698	6.4
315.07199	3.4
316.10342	2.4
374.99097	1.5
375.12936	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	375.1295
Annotation	Shermilamine D
Peak:m/z	Relative Intensity
59.01377	26.8
61.98825	2.1
69.03442	1.0
70.66920	0.6
71.01375	8.0
72.97535	1.2
72.99318	1.5
73.02953	1.4
75.00870	0.6
83.01383	4.5
83.05029	2.2
85.02943	1.9
87.00881	1.1
89.02431	4.8
95.05019	1.8
96.96005	0.8
97.02943	0.6
97.06588	5.8
99.00863	0.9
99.04469	0.6
101.02448	2.0
107.05025	0.7
107.63508	0.5
109.02962	1.5
109.06605	1.2
111.00907	0.7
113.02499	0.7
116.25080	0.5
119.03501	0.6
121.02940	0.8
121.06582	1.0
122.03738	2.1
123.00900	1.0
124.01657	1.2
125.02426	2.0
125.06108	1.0
133.02974	0.9
134.03813	0.7
135.08165	3.3
137.02448	1.4
137.09686	0.9
138.03249	1.7
139.00276	0.6
139.04070	0.5
141.01938	0.8
145.06580	2.1
151.04024	0.9
151.58247	0.6
153.01929	1.7
153.05548	2.0
153.09192	1.5
155.86745	0.6
161.04517	1.3
163.07639	22.9
164.08008	1.2
165.09201	0.9
167.03476	1.6
169.01439	1.1
171.06602	3.4
174.99266	1.8
177.01917	15.4
178.02327	1.1
179.07127	2.1
181.08704	5.4
193.05037	1.4
197.08116	2.3
207.06673	2.9
209.08170	0.7
211.02428	1.1
217.00281	6.0
224.06921	1.6
225.07671	15.2
226.08018	1.0
243.08763	7.0
298.20462	0.6
301.05597	0.7
303.05212	0.9
321.05951	0.6
325.97546	0.6
337.00372	0.8
339.01785	2.5
339.07141	2.6
374.99466	2.2
375.12943	100.0
376.13367	8.7
392.51129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68776	1.5
55.01867	2.6
58.00578	3.5
59.01375	100.0
60.01712	1.7
61.98791	2.6
63.92472	1.5
69.71542	5.8
71.01377	53.0
72.99313	3.3
73.02931	5.0
78.95894	8.8
79.03658	1.6
83.01372	4.3
85.02946	11.7
87.00858	7.8
89.02441	65.0
95.01380	4.6
96.96030	12.0
96.96956	14.1
98.63897	1.6
101.02439	28.3
108.02200	1.7
109.02924	6.0
109.55377	1.7
111.00919	1.9
113.02455	18.9
115.03997	1.7
117.03447	7.5
119.03497	25.3
119.04980	3.6
122.03717	2.0
123.04510	4.6
124.01631	1.8
125.02415	4.4
129.01964	1.7
131.03470	2.3
134.03706	2.0
143.03474	5.1
145.02946	25.0
146.03683	5.9
147.04524	7.8
149.02469	11.5
149.04567	3.5
150.03238	18.3
153.01978	11.2
153.05516	7.2
161.02438	27.3
161.04506	8.2
162.03217	41.5
163.03893	3.1
164.04744	5.8
165.05559	39.3
166.05789	1.9
169.01436	8.3
174.99229	8.0
177.05562	17.0
178.06021	1.5
179.05632	10.3
180.04240	9.8
194.93237	1.7
195.06609	22.9
201.02580	9.0
215.02312	3.9
217.00278	20.2
271.01346	4.5
315.04028	3.9
327.10388	2.7
357.11819	10.5
375.05875	2.3
375.12915	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	375.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22054	0.3
54.52032	0.3
59.01371	0.5
68.01516	0.3
69.81008	0.9
87.00890	0.4
95.01370	0.5
96.02180	2.5
98.22590	0.4
99.92570	0.7
111.00860	0.5
123.00875	1.3
123.04500	1.1
124.01665	7.2
151.00319	0.8
151.35733	0.3
152.01144	7.2
165.01974	0.4
165.05539	0.5
166.02682	1.6
166.50856	0.4
184.00076	0.5
221.18985	0.3
234.93364	1.1
235.94174	0.5
247.17035	0.5
265.18063	4.2
266.18402	0.7
277.25342	6.8
278.25412	0.5
293.17569	100.0
294.17911	8.4
303.23206	0.4
307.18991	0.5
329.31442	0.3
333.24258	0.4
375.25342	0.8
376.09842	5.8
376.25439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
59.78554	0.5
61.98813	0.7
68.99786	0.6
71.21251	0.6
88.45864	0.5
95.83975	0.6
95.97326	0.5
96.02174	2.1
96.53223	0.5
99.92595	2.2
100.33907	0.6
109.54169	0.6
116.67421	0.5
123.00879	1.7
123.30794	0.5
124.01670	6.8
132.47177	0.7
137.02417	0.6
151.00339	1.2
152.01134	7.1
165.01892	0.8
166.02718	1.7
184.00224	0.6
234.93401	2.2
235.94189	1.0
265.18036	5.9
293.17575	100.0
294.17886	8.3
304.20547	1.1
305.21237	1.1
333.20032	0.7
375.21704	3.3
376.09824	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	375.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93479	1.1
59.01381	12.8
59.58007	1.4
61.98815	1.6
69.09756	9.6
71.01375	12.7
77.75695	1.2
80.91681	24.3
95.64587	1.3
99.92570	1.7
113.29303	1.2
174.99229	7.9
177.09215	3.8
185.99632	1.5
190.09993	1.6
192.11516	10.1
205.12292	2.7
217.00269	24.4
218.09451	2.6
220.14671	40.3
221.15446	100.0
222.15741	7.4
236.10533	86.4
236.12415	1.2
237.10916	5.8
273.45010	1.5
293.17572	49.9
294.17801	4.0
318.09470	5.2
321.15469	3.2
358.08466	3.4
374.62650	1.7
375.17874	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	375.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71909	0.5
56.73483	0.6
71.12764	0.6
74.99062	2.8
90.12455	0.6
96.98704	0.6
109.74867	0.5
113.58370	0.7
122.07566	0.7
143.05344	1.0
159.08450	9.4
160.08427	0.6
161.06328	2.2
165.59322	0.6
192.98015	1.2
195.16530	0.6
209.01215	3.3
217.07225	1.9
275.05893	1.1
277.07458	2.1
289.07465	1.3
289.21725	1.1
291.09076	92.5
292.09204	10.5
309.10220	1.0
317.21133	1.8
332.23291	1.1
333.24329	3.4
357.13693	1.7
359.15326	100.0
360.15460	15.2
375.18381	10.9
375.25409	1.3
376.18561	2.3
377.16129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00362	0.6
74.99070	2.5
76.73723	0.5
81.03408	0.6
87.98017	0.5
96.02129	1.4
118.53609	0.5
122.03697	1.1
122.83934	0.6
123.00872	0.8
123.04510	1.0
124.01673	4.1
125.02387	0.6
137.02415	3.8
137.06087	2.0
138.03166	2.0
151.04050	0.7
151.48497	0.5
152.01135	2.2
159.08467	8.9
161.06375	2.8
163.65051	0.5
166.02737	1.1
167.03444	0.7
192.98141	0.8
208.86621	0.5
209.01221	1.6
217.07109	1.3
265.18109	2.2
277.07495	2.2
279.19806	1.0
289.07455	1.6
290.06857	0.5
291.09079	92.7
292.09204	11.3
293.17566	38.8
294.17880	4.0
307.19144	10.1
307.22406	0.7
309.10175	0.8
333.20746	1.7
333.24249	17.6
334.21365	5.1
334.24615	0.6
357.13831	2.1
359.15323	100.0
360.15485	14.3
375.18320	9.1
375.25082	5.5
375.29486	3.0
376.09689	1.0
376.18649	1.2
376.25238	1.4
377.16708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	0.8
69.58548	0.8
69.58896	0.7
71.01382	2.0
71.46133	0.4
73.02947	1.0
73.58439	0.4
85.02976	0.8
99.00895	0.4
101.02448	2.2
113.02467	1.1
123.54960	0.3
136.81265	0.4
144.49805	0.3
161.04573	2.1
174.99245	0.6
217.00272	2.0
238.64616	0.3
255.84630	0.5
276.85260	0.3
315.18094	8.8
316.18652	0.6
375.20386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01378	46.1
71.43401	1.2
73.39861	1.1
76.22926	1.0
81.03448	2.4
83.05061	1.0
95.05041	2.2
99.92566	1.5
108.02134	1.3
109.06580	1.9
111.00943	1.2
121.10231	27.2
122.03703	1.4
122.10594	1.6
125.09724	2.0
127.11279	1.8
149.09718	1.9
171.10263	68.8
172.10617	1.3
174.99214	2.1
177.16461	1.7
183.13969	1.2
185.11824	2.8
207.10013	2.7
217.00325	5.6
231.21198	4.0
233.15491	2.9
243.28969	1.1
245.15446	4.3
246.12268	1.4
247.16966	2.0
253.09206	1.2
257.15604	1.9
261.15002	6.2
263.16458	2.1
275.16678	8.2
275.20135	100.0
276.20505	9.3
278.11282	9.5
293.21216	94.3
294.21552	8.8
297.18359	3.0
313.17810	1.6
315.19366	50.2
316.19754	4.0
327.96542	1.1
329.17310	1.2
340.11469	1.5
357.24304	9.4
359.18323	4.9
375.21289	42.2
375.25540	15.9
376.21527	5.1
376.25964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16394	0.6
57.03443	1.3
59.01378	13.5
69.27645	2.8
78.89135	0.7
97.06602	0.7
98.52797	0.7
123.08187	1.4
125.09728	4.3
141.12820	1.4
147.85435	0.6
149.09695	2.0
159.08408	0.8
182.26799	0.6
185.11844	9.4
191.06833	0.8
197.11853	2.8
217.00308	2.1
224.91652	0.8
247.20685	1.1
293.21216	100.0
294.21631	7.9
311.18707	1.8
312.18958	1.9
315.19391	32.3
316.19766	2.7
375.18127	0.7
375.21619	6.4
375.25577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2176
Annotation	Hypoestoxide
Peak:m/z	Relative Intensity
55.42751	0.3
57.03447	8.2
59.01376	6.8
65.00336	0.4
69.39361	1.4
70.88074	0.3
79.05544	0.6
81.03453	8.6
83.01382	8.2
88.21996	0.3
96.95960	0.4
97.06572	0.8
98.21847	0.7
99.46002	0.3
105.03456	0.8
107.01385	0.6
114.50758	0.3
121.02939	0.5
122.03741	6.6
123.04523	44.1
124.01694	0.3
124.04863	1.5
125.02442	100.0
126.02782	3.1
149.02434	1.3
151.00386	0.9
165.05562	20.0
166.05881	0.7
167.03490	1.5
244.77196	0.4
249.18573	4.7
249.21014	0.5
293.17661	3.7
294.17905	0.4
296.41602	0.3
333.20712	0.6
333.24261	2.7
370.70560	0.3
375.21555	4.5
375.25449	25.0
376.22055	0.6
376.25784	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44887	0.8
59.01376	5.7
61.98829	1.6
89.13904	0.8
95.05028	0.9
97.02929	1.2
108.02150	7.2
109.02953	3.9
111.04478	1.1
111.08146	1.0
121.02934	2.6
122.03752	5.3
123.00880	3.0
123.04462	1.9
124.01653	5.0
125.02415	1.0
134.03743	1.2
135.04518	1.5
136.01639	1.8
137.02426	10.9
138.03238	9.4
150.03198	3.8
151.04005	8.8
152.01096	1.4
155.15425	0.9
160.51370	0.8
164.04765	0.9
165.05521	0.9
174.99203	1.3
177.09306	1.0
189.01839	1.1
217.00278	9.4
221.11792	2.2
222.12637	1.4
289.18121	24.0
290.18356	1.6
293.17587	3.6
301.18069	10.6
302.18640	2.5
303.19543	2.4
317.17545	72.7
318.18289	74.7
319.18665	5.0
331.15469	2.1
332.15869	1.5
332.19788	9.1
333.20670	100.0
334.21051	11.1
343.19125	1.1
345.20544	2.3
375.14383	1.7
375.21677	45.2
376.21805	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	375.2174
Annotation	Arundinine
Peak:m/z	Relative Intensity
64.21064	2.8
84.63417	2.8
92.24326	2.8
111.32023	2.7
122.03707	3.5
123.39341	2.7
149.02444	4.5
150.03189	6.2
172.39142	2.5
206.02159	3.4
291.23190	6.1
334.76639	2.9
347.22357	3.8
375.21649	100.0
375.25150	4.7
376.22031	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	375.2538
Annotation	Ardisiphenol B
Peak:m/z	Relative Intensity
59.01377	16.9
69.25780	1.1
70.38202	0.3
79.05531	1.0
79.39616	0.2
81.03455	21.5
82.03782	0.5
83.01349	0.4
95.01370	0.3
96.02171	0.9
97.06588	1.9
99.92590	0.4
105.03445	1.0
111.00903	0.3
116.92918	0.3
121.06574	0.7
122.03740	16.9
123.04523	100.0
124.01676	1.8
124.04857	3.6
125.02451	3.4
127.93718	0.3
152.01141	2.6
165.05559	44.2
166.02699	0.9
166.05899	2.0
180.54155	0.3
183.70763	0.3
192.12741	0.3
233.01830	0.2
234.93338	0.4
265.18051	1.4
293.17584	27.4
294.17917	2.7
333.24341	6.3
334.24570	0.7
375.25360	56.6
376.09836	3.6
376.20920	0.4
376.25717	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	375.2536
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
53.16765	2.6
55.01883	6.7
59.01373	37.0
61.98829	10.2
73.54299	2.9
73.93831	3.5
80.84930	3.3
89.99244	2.7
91.08933	3.0
92.92943	3.3
96.95993	3.8
106.35290	2.8
119.30247	2.8
122.03703	3.7
174.99132	14.4
195.66263	3.0
198.89534	2.7
217.00285	47.0
218.00578	3.6
249.77132	2.8
275.20200	4.2
281.20490	3.5
293.17505	10.0
329.24850	10.8
347.25919	100.0
348.26184	11.3
374.99045	5.9
375.20929	3.3
375.25397	50.0
376.25351	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	375.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59884	0.6
59.01358	0.7
61.98817	0.7
69.61554	2.4
74.99064	2.7
81.03446	2.2
88.89265	0.6
93.00136	1.0
93.03464	0.8
95.01297	0.7
96.02172	1.7
96.92175	0.6
98.22620	1.1
99.92565	1.3
109.02944	3.2
109.82067	0.6
110.03726	4.0
116.92834	0.9
118.06419	0.5
119.87074	0.6
121.02939	0.8
121.25661	0.6
122.03734	1.6
123.00874	1.9
123.04498	2.1
124.01662	11.9
125.02402	1.7
127.30062	0.5
134.03714	1.6
137.02461	5.2
137.06067	4.4
138.03241	10.4
151.04004	1.3
152.01158	4.5
159.08458	9.6
161.06393	2.1
165.01852	0.8
165.20575	0.5
166.02702	4.9
167.03452	1.2
179.03508	0.8
180.04231	2.7
184.00203	0.9
192.98155	0.9
195.17622	0.6
198.01797	1.0
209.01277	2.2
217.07199	1.6
256.19836	0.7
265.18021	2.2
275.06052	1.1
277.07614	2.7
279.19647	8.1
289.07565	1.6
291.09088	86.9
292.09158	10.0
293.17578	46.8
294.17932	4.5
307.19128	100.0
308.19449	5.5
309.10165	1.7
315.23257	0.7
332.23462	2.2
333.20929	2.0
333.24295	56.6
334.21222	5.4
334.24979	4.7
357.13748	1.4
359.15332	92.3
360.15546	13.8
375.18411	10.2
375.24634	3.2
375.29321	6.4
376.09909	4.6
376.18521	1.9
376.24905	1.3
376.29422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2539
Annotation	5alpha-Androstane-3beta,17beta-diol diacetate
Peak:m/z	Relative Intensity
52.64507	0.4
59.01376	0.6
68.45082	0.4
69.43377	0.4
69.43669	2.0
72.97404	0.4
76.32951	0.4
76.55087	0.4
80.02668	0.7
93.03447	1.3
104.04636	0.4
108.02155	0.5
109.02970	2.5
110.03752	1.2
121.02942	1.0
122.03560	0.4
122.29591	0.4
123.00864	0.9
124.01656	21.6
134.03746	3.4
136.45155	0.3
137.02432	6.1
137.06024	0.8
138.03250	8.5
145.94850	0.3
151.04018	3.0
152.01137	1.7
152.04668	0.4
159.08476	1.4
181.83063	0.4
184.93852	0.4
193.08646	0.8
203.78978	0.4
207.13873	0.5
209.01115	0.6
216.68071	0.4
236.14105	0.6
277.25476	0.5
290.19049	0.5
291.09097	10.2
291.22964	0.4
292.09329	1.0
293.17554	8.4
294.17896	0.5
305.24597	0.7
315.23245	1.1
332.23532	3.7
333.24280	100.0
334.21393	0.9
334.24689	11.1
359.15335	10.8
360.15582	1.6
375.18259	0.9
375.25391	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	375.2539
Annotation	Ardisiphenol B
Peak:m/z	Relative Intensity
70.95510	0.7
82.84866	0.4
90.55546	0.4
93.03437	0.5
98.00838	0.4
109.02958	5.4
110.03717	1.0
123.00782	0.7
123.04517	0.4
124.00842	0.6
124.01672	8.1
134.03708	1.3
137.01422	0.8
137.02437	12.1
138.03246	7.2
150.03165	0.5
151.04030	3.4
152.01131	0.8
165.05508	0.5
193.08650	1.1
244.50021	0.5
289.18161	1.4
290.18741	0.6
293.17563	1.6
303.19754	0.9
303.23196	0.5
315.23062	0.7
331.22650	1.0
332.23538	37.3
333.24304	55.6
334.24673	5.8
375.25381	100.0
376.25684	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	375.2538
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
57.03439	1.0
59.01381	0.7
61.98827	1.1
65.03960	4.8
67.01887	3.8
68.99814	1.1
69.03451	5.4
69.92944	1.2
80.02714	0.6
81.44292	0.4
82.41500	0.4
83.05033	1.1
93.03462	3.3
95.01385	7.9
95.05022	7.0
96.02183	1.1
96.96011	0.7
97.02948	24.2
107.01292	0.4
109.02943	11.1
111.04529	3.5
116.92880	0.4
121.02949	4.4
122.03735	1.8
123.00874	4.1
124.01651	1.8
125.02339	0.5
129.86090	0.4
135.04520	0.5
137.02443	14.3
138.03198	0.8
139.04012	31.7
140.04362	1.2
148.01682	0.7
151.00294	0.4
166.02710	1.3
175.03958	0.5
178.71434	0.4
192.11803	0.4
207.97310	0.4
237.22276	0.5
251.23854	0.7
253.21872	0.7
277.25269	0.8
287.23828	1.7
289.07346	0.4
289.21890	0.9
289.25391	0.9
290.22293	0.4
293.17587	3.6
305.24832	2.5
316.24109	0.5
329.24841	1.8
331.22681	0.5
331.26358	1.1
333.24481	1.0
347.25897	11.3
348.26144	1.3
357.24341	6.0
358.24689	0.9
375.25378	100.0
376.25720	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	375.2538
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
56.93692	6.6
60.45418	6.2
65.84391	6.3
69.20068	36.1
98.22613	12.7
117.26176	5.9
123.04525	7.0
125.71361	6.1
126.87391	7.3
127.72868	6.1
137.02441	66.9
151.03941	8.9
151.44951	5.9
179.03442	15.1
332.23730	8.3
375.25467	100.0
376.25684	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	375.2538
Annotation	Ardisiphenol B
Peak:m/z	Relative Intensity
53.49822	1.3
54.90561	1.3
55.01869	6.2
59.01371	7.3
60.21435	1.2
61.98822	2.3
65.00314	1.3
65.94455	1.2
69.74399	2.7
69.74723	2.4
70.80220	1.2
72.72931	1.2
81.03453	31.2
85.06576	1.5
88.00127	1.1
93.73011	1.2
95.05019	4.1
98.21922	2.4
118.05472	1.2
121.02949	1.5
121.06580	8.8
122.03729	6.5
123.04480	1.9
135.04498	2.5
136.05280	5.6
137.06079	96.5
138.06416	3.0
149.06064	3.2
165.05557	52.1
166.05907	3.5
205.15958	1.6
217.00317	3.7
247.16930	14.0
248.17250	1.6
261.18558	3.4
263.16571	9.0
273.22198	1.5
275.76431	1.4
279.15240	1.3
289.21704	11.2
293.17581	8.3
303.23141	2.3
305.21234	8.2
315.23285	25.2
316.23587	3.1
331.22733	5.0
333.24319	100.0
334.24762	10.0
347.25897	8.1
348.26340	1.8
352.65213	1.4
357.23788	1.8
357.27969	27.3
358.28409	2.5
373.27515	2.9
375.25235	98.9
375.29050	88.0
376.25351	13.0
376.30023	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	375.2538
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
55.01871	4.6
57.30488	0.5
59.01370	2.2
69.47583	1.8
80.17190	0.6
81.03452	25.1
85.06557	1.1
86.60881	0.5
93.07088	1.6
95.05026	2.9
98.21868	0.6
106.04295	1.1
119.05045	1.0
121.02944	0.7
121.06588	10.0
122.03755	1.3
123.04478	1.9
124.01658	1.5
136.05302	4.7
137.06078	100.0
138.06418	3.8
149.06079	1.7
152.01160	0.8
163.03999	1.4
165.05559	66.2
166.05894	2.1
174.99188	0.8
217.00195	2.7
238.11592	0.5
245.93471	0.6
247.17065	4.2
248.38040	0.6
265.18228	0.9
273.12302	0.5
275.20218	0.9
289.21747	6.7
290.21881	0.7
293.17563	17.8
294.17944	1.8
303.23218	0.8
305.21201	3.7
315.23148	0.9
315.82721	0.6
317.24936	0.8
329.24753	0.6
333.24265	4.3
347.25949	7.5
348.26117	1.0
357.27991	15.9
358.28296	2.4
373.27591	1.9
375.25305	64.7
375.29114	68.7
376.25488	10.0
376.29514	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	375.2537
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
55.74923	3.4
57.03424	5.1
59.01373	39.9
61.98824	10.1
81.03445	12.3
90.92968	3.2
93.29875	3.0
113.09751	3.9
122.03750	9.2
123.04536	9.5
129.09190	3.4
135.04546	5.6
171.10286	5.4
174.99193	14.7
191.14432	6.9
194.92964	3.6
202.16934	2.9
217.00302	51.8
233.15437	17.9
235.13382	7.2
245.15413	13.5
247.17072	9.1
257.15494	6.8
261.14908	40.0
263.16467	10.3
275.16510	42.2
275.20059	12.9
276.17001	3.9
293.21280	10.3
315.19455	6.7
332.44165	3.6
338.07175	3.2
339.23544	3.4
357.24310	51.1
358.24673	6.6
367.21860	3.3
374.26401	2.8
374.98941	4.9
375.21548	5.9
375.25400	100.0
376.25504	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	375.2538
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
57.03437	4.1
59.01377	14.7
61.98818	1.2
69.85735	2.8
69.86061	2.5
81.03448	7.5
83.05040	2.2
98.72536	1.2
99.08141	3.8
99.92526	1.2
111.08132	1.3
113.09693	1.7
122.03727	5.7
123.04555	3.6
129.09213	3.3
135.04518	5.9
148.83890	1.5
174.99237	7.0
189.12704	1.3
191.14418	4.5
203.14507	1.6
205.15956	2.9
217.00296	19.6
219.14066	2.1
227.14375	2.3
231.13910	1.8
233.15413	11.3
245.15462	23.1
247.17018	8.4
257.15442	4.9
259.16943	1.4
261.14920	19.6
262.15240	1.5
263.16458	7.3
275.16510	38.7
276.16928	2.9
293.17636	1.8
328.80328	1.4
329.24902	2.3
339.23276	2.3
349.08481	1.5
350.84857	1.2
357.24295	33.6
358.24658	3.5
374.98972	1.5
375.25391	100.0
376.25531	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	375.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64507	0.4
59.01376	0.6
68.45082	0.4
69.43377	0.4
69.43669	2.0
72.97404	0.4
76.32951	0.4
76.55087	0.4
80.02668	0.7
93.03447	1.3
104.04636	0.4
108.02155	0.5
109.02970	2.5
110.03752	1.2
121.02942	1.0
122.03560	0.4
122.29591	0.4
123.00864	0.9
124.01656	21.6
134.03746	3.4
136.45155	0.3
137.02432	6.1
137.06024	0.8
138.03250	8.5
145.94850	0.3
151.04018	3.0
152.01137	1.7
152.04668	0.4
159.08476	1.4
181.83063	0.4
184.93852	0.4
193.08646	0.8
203.78978	0.4
207.13873	0.5
209.01115	0.6
216.68071	0.4
236.14105	0.6
277.25476	0.5
290.19049	0.5
291.09097	10.2
291.22964	0.4
292.09329	1.0
293.17554	8.4
294.17896	0.5
305.24597	0.7
315.23245	1.1
332.23532	3.7
333.24280	100.0
334.21393	0.9
334.24689	11.1
359.15335	10.8
360.15582	1.6
375.18259	0.9
375.25391	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	375.2538
Annotation	Andavadoic acid
Peak:m/z	Relative Intensity
57.03450	4.0
57.16375	2.8
59.01371	8.0
62.87499	2.6
68.53076	2.4
68.55360	2.9
71.05005	6.5
81.03439	3.5
83.59721	2.6
85.02939	4.7
99.92547	3.2
109.02930	3.2
111.00822	3.7
122.03736	12.4
124.01649	4.1
137.06108	18.0
137.06978	3.1
163.03954	3.6
165.83029	3.3
291.09064	7.0
293.17599	32.5
294.17969	3.2
303.26956	27.6
331.26425	100.0
332.23254	3.9
332.26688	10.9
359.14874	3.7
375.25302	29.4
375.29285	6.5
376.25055	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	375.29
Annotation	Isolithocholate
Peak:m/z	Relative Intensity
52.87980	0.2
55.01873	0.5
57.93769	0.2
65.00305	0.5
67.86598	0.2
69.61983	0.6
77.21701	0.2
81.03451	27.2
81.27392	0.2
82.03798	0.7
86.51830	0.2
95.05007	1.5
109.06519	0.2
122.03725	1.0
123.04533	0.5
137.06073	100.0
138.06404	3.5
285.56784	0.2
287.26227	0.2
293.17514	1.1
294.18045	0.3
319.18936	0.2
333.24133	0.3
375.28995	16.7
375.84750	0.2
376.29376	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2901
Annotation	Isolithocholate
Peak:m/z	Relative Intensity
55.01876	5.9
56.53294	0.8
59.01368	3.9
61.98820	2.4
73.04557	0.7
81.03447	12.2
85.06596	2.0
93.19185	0.8
93.38655	1.0
93.72549	0.7
95.05012	3.4
106.04264	0.8
121.06592	4.5
122.03717	1.5
136.05347	4.6
137.06078	46.4
138.06416	2.2
149.06021	1.7
152.01151	1.2
163.04015	0.8
165.05551	28.1
175.03957	0.8
203.99771	0.8
217.00240	3.4
247.17012	3.1
265.14319	1.3
289.21716	9.3
293.17575	14.9
293.72110	0.9
294.17984	1.1
303.23203	1.6
305.21219	8.7
306.21585	1.0
315.23212	2.4
331.22845	1.8
333.24326	8.5
334.24475	1.5
347.25974	3.7
357.27985	21.6
358.28244	3.3
373.27527	2.8
375.25119	27.8
375.28983	100.0
376.09610	0.9
376.25201	6.5
376.29309	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	375.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.6
59.01375	2.4
61.98834	1.2
66.39877	0.8
76.24557	0.8
81.03451	12.4
95.05041	4.5
100.35393	0.8
105.74085	0.8
109.02964	1.1
110.03760	1.0
113.09719	1.0
121.06593	3.3
122.03728	2.9
123.00790	1.2
123.04521	2.3
124.01681	1.2
125.02431	2.9
135.04529	0.9
136.05281	3.7
137.02516	2.0
137.06081	37.3
137.07143	1.8
137.99661	0.9
138.03209	3.1
138.06375	0.9
149.06073	2.7
152.01166	0.9
163.07629	1.1
165.05559	23.1
166.02721	1.8
166.05939	1.0
174.99187	0.9
179.03502	1.8
193.05046	1.4
194.95685	0.9
205.15984	5.4
217.00252	2.6
219.14006	0.9
221.08176	1.6
247.16986	4.0
261.18570	81.1
262.18906	8.4
262.70300	0.8
263.16428	7.2
267.15628	0.8
275.19910	1.1
277.18188	4.1
293.17624	15.5
294.17831	1.9
303.23566	1.3
315.23248	11.5
331.22778	2.0
333.24319	48.6
334.24814	4.6
346.60767	0.9
347.22134	1.9
347.25931	3.6
357.27954	17.2
358.28464	1.3
373.27374	1.4
375.21500	25.4
375.25269	34.4
375.29047	100.0
376.21664	2.0
376.25366	5.8
376.29391	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	375.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43804	0.3
63.04652	0.3
69.71934	0.9
81.03471	0.5
98.22551	0.7
113.24048	0.3
121.02962	0.4
122.03733	100.0
123.04018	3.3
124.01706	0.4
127.57585	0.3
137.06076	79.8
138.06447	2.8
154.02701	0.8
166.12901	0.3
215.20874	0.3
289.21698	8.4
290.22028	1.1
293.17587	2.2
300.63419	0.4
317.21179	19.6
318.21570	2.3
331.22632	0.8
333.24103	0.7
347.22202	0.7
359.14984	0.4
359.24619	0.4
375.17102	1.4
375.21497	1.3
375.29037	21.7
376.24905	3.5
376.29413	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	375.2902
Annotation	Isolithocholate
Peak:m/z	Relative Intensity
55.01874	0.7
61.12890	0.2
65.00311	0.4
69.42670	1.1
77.67893	0.2
80.64043	0.2
81.03454	32.1
82.03771	0.6
83.03115	0.2
88.65804	0.2
92.99612	0.2
93.07089	0.3
95.05014	1.7
98.21889	0.5
107.05025	0.6
122.03735	1.4
123.04533	0.5
124.01684	0.4
132.04602	0.3
133.06593	0.3
136.05284	0.5
137.06085	100.0
138.06430	4.1
141.50806	0.3
151.04108	0.3
163.04053	0.2
209.00003	0.3
227.91383	0.3
265.18130	0.5
293.17566	4.4
294.17993	0.4
306.21652	0.3
333.24170	0.4
375.29034	89.6
376.09821	0.7
376.24857	4.1
376.29391	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	376.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.2
61.98820	10.9
63.38964	2.4
69.45673	9.3
71.01405	4.2
89.02428	5.3
93.03432	3.4
98.49100	2.6
101.02454	2.9
109.02935	5.1
112.04049	3.7
120.08216	3.0
125.02456	3.8
126.02809	3.2
136.04060	19.5
137.02477	3.0
141.05437	2.5
149.02441	5.0
151.03981	6.6
153.01997	4.9
165.01895	7.7
169.01425	3.0
170.01756	5.0
193.01419	99.3
194.01840	3.5
207.02969	11.4
235.02582	13.5
271.06720	2.7
294.18234	2.9
308.67780	2.8
312.25812	2.7
313.05673	100.0
314.05933	6.9
316.07010	3.7
316.10388	5.5
341.10837	5.1
377.08517	7.4
377.14401	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	376.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01699	12.6
60.27579	10.2
61.98823	16.1
96.96013	15.8
132.07816	10.0
143.79895	9.6
211.13420	9.6
217.00244	13.6
269.41083	9.1
377.08792	9.6
377.23389	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	376.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63209	11.9
59.01375	100.0
61.98807	28.5
71.01368	21.3
71.44643	12.7
85.02942	12.1
89.02450	17.8
101.02404	13.1
123.00891	19.4
173.06059	27.6
175.03995	18.9
186.44305	12.5
189.05568	12.0
191.33925	10.0
218.05766	33.4
224.76930	13.1
241.53680	11.2
333.13226	15.3
371.00830	12.9
376.20401	17.0
376.27823	66.2
377.12415	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04999	0.1
55.01884	0.2
69.91528	0.1
99.53408	0.1
107.40755	0.1
109.02980	0.2
110.03755	0.5
123.00845	0.1
125.02442	0.2
137.02464	0.5
138.03235	1.3
139.04012	6.4
140.04356	0.1
142.02728	0.1
150.03203	0.5
151.03992	0.2
153.01936	0.2
153.05591	0.4
163.04065	0.1
163.07654	0.1
164.04848	0.1
165.01921	0.1
166.02721	1.5
166.04155	0.1
167.03496	15.3
168.04170	0.9
175.03987	0.1
175.77304	0.1
176.01006	0.1
177.05606	0.1
179.03465	1.0
180.04272	0.6
181.05058	1.5
181.35979	0.1
182.05429	0.1
191.07091	0.6
191.10799	0.7
192.07997	0.1
193.05023	0.6
194.05801	0.3
195.06606	0.1
198.01657	0.3
205.08682	0.3
208.07216	0.1
209.08168	0.2
209.11856	0.1
219.10254	1.0
220.10825	0.1
221.08121	0.1
223.09705	0.2
235.09833	0.2
236.10509	0.5
237.11330	0.9
238.11868	0.1
239.29198	0.1
263.16611	0.2
273.14960	0.3
277.14355	0.1
290.15146	0.1
291.16028	0.9
292.16595	0.1
305.17767	0.1
305.21167	1.9
306.21628	0.2
315.19434	0.1
319.19116	0.1
320.19888	0.2
332.19958	0.1
333.20709	21.0
334.21454	100.0
335.21799	9.4
376.22275	0.6
377.22992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.6
61.98827	11.9
69.00335	3.6
69.39034	3.8
69.50829	15.6
80.03498	3.9
98.21864	3.6
185.82648	3.7
218.00645	5.1
265.14557	6.0
274.33203	3.7
296.33862	3.4
309.43536	4.0
319.19186	10.4
320.19763	5.5
333.20477	6.9
333.24332	100.0
334.24652	10.8
335.22202	25.7
376.09653	4.4
376.25146	35.4
377.23227	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	376.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66443	2.9
59.33735	2.8
62.35577	2.4
62.90296	2.6
64.55356	2.6
64.97283	2.9
65.66795	2.6
69.82324	2.7
69.82656	8.8
81.03458	27.9
100.20474	3.1
107.66063	2.9
117.37500	2.7
123.04529	100.0
151.37158	2.8
333.24289	41.7
334.24692	11.3
374.12018	2.9
376.29364	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	376.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.2
60.17838	6.2
89.02451	7.3
124.01659	14.3
134.03703	6.7
137.02440	21.1
138.03230	10.9
211.83145	8.1
333.24033	13.4
333.27905	19.4
334.21609	7.4
334.25003	47.7
335.22180	51.0
335.25909	83.7
341.10773	9.1
359.24387	10.3
376.25119	100.0
377.08530	10.9
377.26077	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	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96867	0.7
56.02769	0.7
59.01379	30.6
70.12543	2.0
71.01016	1.1
71.01379	18.6
73.02934	0.8
85.02928	2.7
87.00823	0.9
89.02441	31.7
95.01355	0.8
101.02436	11.1
102.57288	0.6
113.02444	7.8
119.03496	10.7
131.03503	0.9
142.21707	0.7
143.03447	2.0
145.39217	0.8
149.04462	1.1
152.49376	0.7
161.04523	3.2
179.05612	17.7
197.00235	0.8
197.02173	2.6
215.01221	1.3
215.03259	18.0
234.66293	0.7
341.10849	100.0
342.11240	4.9
377.08527	71.7
378.08884	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	377.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58900	6.7
58.90585	6.4
59.01374	86.4
66.40340	6.1
71.01385	28.5
71.25669	8.2
74.87791	5.9
85.02923	8.1
87.00864	18.6
89.02439	28.7
101.02444	13.4
111.00920	7.7
113.02443	13.1
119.03507	8.5
125.02455	15.9
135.08154	6.8
149.77773	6.6
153.09209	63.2
161.04457	6.9
179.05563	13.7
182.11157	6.2
197.08307	7.3
215.03319	7.8
215.09235	18.9
245.07680	6.1
341.10907	20.4
377.08725	30.7
377.14764	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	377.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86559	0.4
59.01374	2.3
61.98811	1.0
62.63744	0.3
65.85012	0.3
67.67899	0.3
71.01382	0.7
74.92395	0.4
87.00838	0.4
89.02440	0.4
92.05051	0.6
95.05003	0.7
98.21877	1.2
101.02441	0.5
103.04263	0.5
110.06100	3.0
113.02424	0.4
117.05814	1.3
119.03669	0.6
122.06111	6.8
123.06387	0.4
125.02444	0.8
131.03720	1.3
134.06104	1.1
137.02437	0.6
141.16364	0.3
146.02481	1.5
148.04060	1.8
159.03214	0.5
160.04031	24.7
161.04814	49.6
162.05290	2.0
167.72195	0.4
175.02618	0.4
176.03470	0.8
178.05115	0.7
179.05708	1.1
191.44937	0.5
192.02948	0.4
193.03758	2.4
201.68643	0.4
205.03781	100.0
206.04155	5.5
252.22620	0.4
253.09708	0.7
257.12967	2.1
267.66550	0.4
271.10901	2.7
283.10809	5.6
284.11264	0.4
301.08829	0.6
301.11963	8.8
302.12186	0.8
327.09851	0.7
341.10672	1.8
345.10880	84.6
346.11227	7.1
377.08554	1.4
377.13507	8.5
377.17953	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.1
68.24373	0.4
69.11517	2.4
71.01376	0.8
73.02959	1.4
80.94123	0.4
85.02953	0.4
98.21791	0.9
101.02457	0.8
112.56082	0.4
149.19888	0.4
159.04454	0.4
165.01999	0.4
341.11035	0.5
367.51596	0.5
377.08350	0.5
377.17847	0.6
377.22455	0.6
377.28284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44566	0.7
59.01379	23.2
59.01652	1.4
68.80317	0.6
70.40098	2.0
71.62453	0.9
88.90419	0.9
99.08160	0.8
99.92561	1.5
107.90041	0.7
125.09671	1.3
141.12794	1.1
148.43515	0.8
151.11247	0.8
165.73671	0.8
171.10266	40.5
172.10574	1.1
191.06793	0.9
209.07899	1.1
226.90356	0.8
249.22328	1.7
258.40698	0.8
277.21713	44.2
278.22043	3.8
293.18463	0.8
295.22766	100.0
296.23087	8.8
317.20944	34.7
318.21289	3.1
335.20419	0.9
361.19931	1.3
377.23029	28.7
378.23434	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	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75927	1.0
59.01376	17.6
61.98819	4.5
80.68761	1.2
95.05029	7.2
96.96007	2.5
97.06571	1.3
99.92573	9.8
100.93363	1.3
104.36744	0.9
113.09713	2.8
116.92854	2.7
148.71068	1.1
177.39491	1.1
179.14397	1.3
195.13889	16.9
195.17554	1.5
196.14207	1.5
200.10846	1.0
217.12029	3.3
246.12395	1.7
262.44867	1.2
265.14719	3.6
277.21707	15.0
278.11469	5.0
278.22006	2.1
281.90039	1.1
295.22769	100.0
296.23157	9.7
299.19983	1.2
305.24872	1.2
315.19629	1.8
317.20981	49.5
318.21265	5.1
360.13959	6.6
361.19910	2.6
361.97528	1.1
374.11609	1.6
377.23132	10.5
378.14960	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	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	1.9
59.01381	24.0
61.98822	7.1
64.17081	1.6
69.31326	3.1
69.31715	3.4
75.81546	1.4
96.95998	4.3
98.22581	3.3
99.92561	2.5
108.51034	1.5
116.92863	2.7
117.01542	1.5
122.03792	1.7
123.04447	1.7
167.06303	6.7
171.10271	29.4
178.96994	1.5
183.10228	2.3
211.05263	2.9
219.97659	2.1
257.65732	1.6
259.20544	1.6
263.41867	1.6
265.14685	6.4
267.16348	1.5
277.21710	40.3
278.21906	2.8
293.17560	4.9
295.22778	100.0
296.23019	8.8
317.20984	34.3
318.21280	3.4
333.24237	3.0
341.02264	5.2
342.08957	2.7
342.12885	1.9
345.20825	9.7
359.22299	10.3
361.19809	2.5
377.23083	48.6
378.23422	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	377.233
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36190	0.1
66.52094	0.1
70.94572	0.2
72.80102	0.1
81.42416	0.1
96.02197	0.1
96.95981	0.1
123.00925	0.2
124.01668	0.6
125.02447	1.9
136.01672	0.7
137.02385	0.2
138.03217	0.1
139.00398	0.3
139.04010	0.3
152.01138	1.2
153.01930	9.7
154.02693	1.1
165.01941	0.4
166.02748	0.5
167.03497	1.4
174.01375	0.1
177.05582	0.4
177.09148	0.2
179.03540	0.3
180.04350	0.1
191.07182	0.1
194.05690	0.1
195.06697	0.1
195.10201	0.1
205.08670	0.9
209.08214	0.2
221.08189	0.1
222.08865	0.3
223.09660	0.8
265.17908	0.2
277.14374	1.2
291.15942	0.2
291.19687	0.5
293.17566	4.2
295.18222	0.3
305.20978	0.2
319.19128	19.8
320.19888	100.0
321.20242	9.7
321.24203	0.2
334.21313	0.3
362.20947	7.9
362.95483	0.1
363.21179	0.8
377.09924	0.4
377.23288	18.9
378.15079	0.2
378.23645	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.5
61.81125	1.0
61.98810	3.5
68.99804	1.6
69.73672	2.7
75.00876	5.8
81.03435	1.6
96.02155	1.0
122.03732	1.7
123.00845	2.0
123.04522	4.7
132.18407	1.0
165.01932	1.3
245.22713	0.9
263.23730	3.3
265.14383	4.0
279.16049	2.6
279.23126	0.9
287.12701	2.0
287.23776	12.7
288.24222	1.5
289.21851	1.8
292.19040	1.2
293.17624	6.8
295.22794	1.8
305.24960	5.2
307.22995	1.1
312.16931	1.3
315.23254	2.8
317.20929	1.4
319.19058	1.9
320.19846	2.3
331.22733	31.2
332.22992	2.4
333.24225	1.9
334.24701	3.3
335.22281	3.1
349.23727	16.3
349.27667	1.4
350.24103	1.4
359.22241	9.3
376.29199	1.1
377.23270	100.0
377.29538	5.3
378.23618	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	377.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01979	0.3
57.03455	0.6
61.98811	1.9
69.43608	0.9
69.43989	0.8
69.71155	0.4
81.03452	0.9
83.05021	0.5
90.79430	0.4
95.01402	0.5
97.02946	1.1
100.93507	0.4
107.04983	0.6
108.02171	4.6
109.02957	2.8
110.03756	0.8
111.04580	0.7
113.09725	1.7
121.02950	2.0
122.03750	6.8
123.00877	2.0
123.04540	1.9
124.01635	1.9
125.02447	0.7
134.03725	0.6
135.04533	0.8
136.01688	1.0
136.05281	1.1
137.02444	5.8
138.03223	5.0
150.03255	2.6
151.04008	8.8
151.05212	0.6
151.07663	1.1
152.01180	0.4
163.03909	0.4
164.04800	1.4
165.01978	0.5
165.05522	0.7
175.11160	0.4
177.09181	0.6
193.08679	0.7
207.10309	1.3
221.11772	0.7
279.15936	1.2
280.16675	0.5
291.19644	36.3
292.19916	3.1
293.21371	0.5
295.21936	0.5
303.19583	2.5
304.20398	2.8
305.21036	1.1
317.21115	0.8
319.19119	100.0
320.19815	50.8
321.20197	4.2
334.21466	16.1
335.22229	56.9
336.22604	6.3
345.20856	2.1
346.21399	1.3
347.22253	5.7
377.23294	65.8
378.18921	0.7
378.23633	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	377.2331
Annotation	Dendronpholide E
Peak:m/z	Relative Intensity
52.08261	0.9
52.09953	1.0
52.40321	1.0
60.42572	1.0
69.52895	4.6
99.92574	7.2
107.98557	1.0
110.87936	1.0
115.92075	1.8
116.92860	7.7
124.01610	1.7
135.04527	1.5
136.05281	4.6
137.02452	1.5
147.04364	1.1
149.02448	13.6
152.01126	1.9
153.01927	1.9
163.03983	3.4
164.04770	8.7
177.01964	1.8
177.05594	1.5
178.06320	1.1
191.03481	1.6
191.07150	1.5
192.04243	3.0
192.07925	1.8
193.04990	1.0
208.33618	1.0
223.55176	1.2
243.21269	1.6
265.18216	1.7
276.03983	1.1
293.17520	10.4
294.17880	1.3
305.21222	8.8
315.19592	2.5
315.23102	1.0
319.19177	12.7
320.19876	22.7
321.20190	1.8
333.20688	97.5
334.21085	10.6
362.21100	1.1
377.14301	3.4
377.23294	100.0
378.23715	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	377.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58001	1.2
55.01881	1.8
61.98845	1.0
68.99821	6.8
70.96310	1.3
108.14504	1.3
110.00095	1.6
111.00880	16.4
123.00896	1.8
131.08908	1.2
136.30528	1.1
137.99596	12.7
139.00372	77.4
140.00691	1.7
151.04010	1.4
152.01132	3.2
195.17540	17.0
206.99934	1.1
209.06621	1.2
237.14906	1.9
238.39175	1.1
251.16484	13.2
253.14453	2.6
277.18036	2.6
279.15997	100.0
279.19119	3.3
280.16611	14.3
287.20224	1.5
292.19067	1.6
295.15549	11.8
315.23120	1.5
333.24277	1.3
349.20032	1.5
359.22473	1.4
377.19525	3.6
377.23462	28.8
378.23404	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04497	0.6
53.22762	0.5
55.60561	0.6
55.71917	0.6
59.01384	1.0
61.98846	1.8
68.78691	0.6
71.72463	0.5
74.56979	0.6
77.18491	0.6
82.46094	0.5
108.02154	2.9
109.02965	1.9
110.03733	0.7
117.03699	0.5
121.02982	2.6
122.03747	5.4
123.00937	0.9
124.01736	0.9
134.03763	1.1
135.04515	1.0
136.01688	1.4
136.05281	0.8
137.02441	4.9
138.03218	4.3
150.03207	2.9
151.04019	7.5
151.76274	0.6
161.06088	0.6
164.11140	0.5
176.04715	0.6
193.08751	0.8
221.11816	1.3
233.11790	0.8
247.13120	0.6
265.14584	1.0
291.19684	26.8
292.19940	2.4
293.17664	1.5
301.18222	1.0
302.18753	1.8
303.19528	1.9
304.20383	2.3
305.21005	0.7
317.21259	1.9
317.72488	0.6
319.19110	100.0
320.19791	36.9
321.20398	3.5
334.21475	16.5
335.22241	51.8
336.22592	4.3
345.20715	2.7
347.22232	2.6
368.44275	0.7
377.23276	74.0
378.23642	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	377.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45844	0.3
54.52403	0.3
57.03444	9.4
58.85615	0.3
59.01377	1.9
65.00303	0.8
69.43369	0.8
69.43752	0.9
71.35982	0.4
81.03452	4.1
83.01383	13.6
90.03481	0.4
107.01375	0.8
118.02972	1.0
121.02945	1.1
122.03773	1.5
123.04525	11.7
124.01682	0.7
124.04856	0.8
125.02444	100.0
126.02795	2.7
132.04568	0.7
133.04893	0.5
134.02545	0.5
136.04051	1.0
136.05214	0.6
137.02365	0.4
137.05704	0.6
138.03201	0.4
146.02512	2.0
147.02821	1.0
149.02420	1.6
149.06123	0.7
151.00398	0.7
151.04005	0.8
160.04025	0.3
161.04834	0.3
162.28490	0.4
164.03578	0.7
165.05568	4.2
167.03543	1.9
174.05690	0.4
178.05139	1.2
179.05511	0.6
194.98230	0.3
251.20143	6.2
251.22504	0.5
252.20552	0.6
330.25372	0.3
331.25909	2.1
333.20840	0.7
333.24539	1.5
334.25021	1.0
335.25061	3.5
343.24939	1.2
349.86108	0.3
359.24396	0.3
360.25015	2.2
376.25107	0.7
377.25467	20.9
378.25372	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	377.2331
Annotation	Cornudentanone
Peak:m/z	Relative Intensity
50.39435	0.7
53.95284	0.8
59.01373	1.7
61.98837	3.6
68.23444	0.8
74.61736	0.7
80.02666	0.8
93.03442	5.0
108.02169	18.1
109.02987	4.6
113.09740	1.0
118.52874	0.7
118.84304	0.7
121.02938	8.9
122.03735	1.0
123.00821	0.8
123.03619	0.9
123.04514	18.7
124.01662	1.0
136.01654	4.3
137.02438	23.0
138.03229	6.4
151.03989	15.0
151.07623	0.9
153.05569	16.5
161.02434	1.4
165.01958	1.8
175.04086	0.9
180.04176	1.2
195.45544	0.7
217.00778	0.7
219.97829	1.2
225.18491	3.7
233.15405	1.5
239.38725	0.9
241.18103	2.9
291.19595	4.2
293.17590	3.3
302.18930	1.0
317.21252	4.9
319.19122	15.3
320.19785	7.3
333.20505	1.6
334.21310	3.7
335.22235	14.1
336.22528	0.9
345.20572	5.1
346.21283	1.0
347.22278	1.8
359.22336	1.3
360.63959	0.8
362.20932	1.9
377.23291	100.0
378.23590	10.0
392.42780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2694
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
54.04858	0.7
54.25419	0.7
54.73323	0.8
55.01870	1.2
59.01381	0.9
61.98829	1.2
69.50162	1.6
69.50530	2.8
69.70581	0.8
79.01906	0.9
85.06678	0.8
95.05060	1.2
96.02169	3.1
96.76249	0.8
111.00858	1.7
123.00882	1.2
124.01661	7.5
124.89989	0.9
136.05283	5.9
139.00349	1.6
139.03999	4.4
141.01955	14.3
149.06081	4.4
152.01163	6.6
163.07669	0.9
166.02693	1.7
184.00142	1.2
185.06502	0.9
265.18018	6.5
275.20233	1.2
289.21686	1.3
293.17581	100.0
295.18137	5.2
301.25409	12.7
302.25690	1.1
303.23212	1.0
304.20535	1.1
304.23593	6.5
327.23318	1.0
333.27936	2.0
345.24335	35.1
346.24777	3.8
349.24097	0.8
359.25916	35.2
360.26147	3.0
377.23633	5.5
377.27002	83.0
378.15445	3.0
378.23093	1.1
378.27316	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	377.2695
Annotation	Persenone A
Peak:m/z	Relative Intensity
50.09857	4.5
59.01366	28.9
69.94614	12.9
97.93147	6.4
103.54037	4.1
114.93421	6.5
123.04449	4.5
125.02422	16.7
142.54132	4.1
154.06131	4.4
216.69525	4.0
275.23859	8.9
279.23230	43.2
293.08954	8.1
317.24841	100.0
318.25241	8.7
320.19736	6.1
361.15451	9.7
377.16074	5.3
377.23337	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	377.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93692	0.1
59.01358	0.3
61.98817	0.5
65.00315	0.2
65.03954	0.2
67.01871	0.2
69.45663	0.5
73.37368	0.1
74.52337	0.1
79.05522	1.2
81.03452	31.7
82.03789	0.8
83.01392	0.5
86.05531	0.1
87.73019	0.2
90.03508	0.1
93.03436	0.8
95.01379	0.2
105.07099	0.2
107.05017	0.6
109.02956	0.7
122.03744	0.2
123.04521	100.0
124.04848	3.5
125.02440	0.2
135.04552	0.3
137.02443	0.3
138.03247	0.5
149.06064	2.0
150.06499	0.2
151.04059	0.3
152.01065	0.2
209.19092	0.2
265.14438	1.9
287.12637	1.2
291.19705	0.8
293.14731	0.2
293.17773	0.5
319.19092	2.4
320.19791	0.8
334.21439	0.3
335.22275	1.0
359.25940	1.5
377.23337	1.0
377.27206	5.3
378.23438	0.2
378.27713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2695
Annotation	Ardisiphenol A
Peak:m/z	Relative Intensity
56.62247	2.3
60.45903	2.7
65.96607	3.2
70.84056	4.1
80.18792	2.6
109.02959	12.5
110.03765	3.1
124.01661	18.9
137.02454	26.2
138.03255	12.4
151.04060	6.1
164.02786	2.5
166.88977	2.8
265.58957	2.7
334.25082	60.7
335.25867	74.7
336.26239	9.0
377.26907	100.0
378.27310	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	378.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.8
61.98828	100.0
65.61362	0.8
71.01373	5.8
81.69378	0.8
83.01390	0.8
85.02950	1.9
89.02437	5.7
101.02451	4.1
103.56151	0.9
109.02956	13.3
112.04062	1.4
113.02448	4.3
114.05608	1.1
119.03503	3.9
125.02480	1.0
134.06136	0.9
136.82100	0.8
152.01114	2.8
153.01933	45.0
154.02296	3.0
167.03453	1.1
168.04285	1.1
169.51714	1.1
177.59903	0.9
195.02980	13.0
196.03345	1.1
225.03943	1.2
255.05092	4.1
297.06171	1.1
315.07211	61.0
316.07455	4.1
341.10687	2.1
378.08536	1.3
379.08063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87411	1.0
55.30141	0.8
57.03481	0.8
59.01076	2.3
59.01377	47.4
60.99299	1.9
71.01378	20.1
83.01408	1.2
85.02937	3.1
85.38085	1.1
87.00877	1.0
88.98808	15.9
89.02445	24.1
93.03461	2.3
95.01385	1.7
98.21896	3.0
101.02452	13.8
112.49890	0.9
113.02449	7.5
119.03492	7.6
125.02470	1.7
132.04532	0.9
162.05620	9.9
180.06613	1.5
191.03529	1.3
199.86757	1.1
289.07187	2.3
311.07571	1.2
342.11917	100.0
343.12216	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	378.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.4
61.94449	0.2
61.98809	0.8
68.99790	0.3
69.59211	0.9
84.04494	0.2
95.01375	0.5
96.02174	3.4
99.92612	0.2
100.92606	0.2
111.00871	0.5
122.03706	0.3
123.00894	1.8
124.01664	8.2
135.33353	0.2
137.02412	0.3
139.00345	0.3
141.01915	0.8
142.02135	0.2
149.69247	0.2
151.00354	0.7
152.01157	8.3
153.01855	0.5
165.01929	0.7
166.02722	1.8
177.03915	0.3
184.00040	0.5
195.17581	0.3
219.17567	1.0
221.18947	0.3
229.45076	0.3
243.22884	0.2
248.36147	0.2
265.18082	6.3
266.18454	0.8
277.18115	0.6
291.16214	0.4
292.19128	0.5
293.17581	100.0
294.17932	9.4
304.20389	0.7
305.21323	0.3
317.24863	1.0
319.19019	0.9
333.50946	0.2
335.25348	0.3
378.10110	1.5
378.15295	2.6
378.23376	0.8
379.17636	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	378.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28437	0.4
55.02125	0.4
59.01371	1.8
61.98829	100.0
70.98040	0.8
72.54736	0.4
80.44409	0.5
95.00289	0.5
97.09587	0.4
139.42197	0.4
139.99417	0.5
270.58115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44296	0.8
59.01361	1.3
60.47750	0.8
60.99371	0.8
61.98822	1.9
69.45112	3.2
70.81642	0.8
83.01340	0.9
90.56410	0.8
93.03464	1.1
98.02435	1.0
100.04045	30.1
108.02200	1.2
109.02950	3.0
110.03760	1.5
123.00945	1.7
123.03284	4.1
123.04537	1.0
124.01625	4.6
130.89607	1.0
134.03755	1.1
136.01704	3.1
137.02414	5.5
138.02098	1.8
138.03227	8.2
150.03296	2.0
151.02745	7.3
151.04016	3.3
152.01147	1.4
161.04765	1.0
161.12810	1.0
164.03563	2.6
164.04816	0.9
165.04294	2.8
166.02766	2.8
179.03485	2.0
180.04080	0.9
183.01741	2.4
249.18538	6.8
255.70297	0.8
260.78400	0.8
264.19583	1.9
265.17990	1.0
277.18076	98.7
278.18719	24.1
278.21213	2.1
279.19547	8.0
280.20090	1.3
291.19577	2.7
292.19171	100.0
293.17557	11.3
293.19919	6.4
294.17697	1.4
304.19147	8.9
305.20007	2.6
306.20776	8.7
311.16891	1.0
316.22748	10.2
334.23895	18.7
335.24493	1.1
350.24155	1.9
355.67270	0.9
360.21875	2.8
378.23227	87.8
379.23654	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	378.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.3
61.98816	15.4
69.47390	7.7
69.47777	8.8
81.03447	8.2
96.02161	4.1
109.02912	4.1
116.92918	5.5
123.00836	4.9
123.04477	24.8
124.01634	4.3
138.03206	4.2
141.01933	4.5
152.01083	6.5
155.33134	3.8
178.42638	3.4
219.17487	8.3
230.90671	3.8
247.20804	3.9
265.18018	8.6
275.20084	15.5
289.21826	4.7
293.17581	100.0
294.17801	9.3
312.55533	4.4
317.21173	11.3
319.19095	4.2
331.22803	23.5
335.22260	26.7
336.22668	7.2
378.14874	5.9
378.23337	24.7
379.17468	10.3
379.24896	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18657	0.7
59.01373	2.6
61.79115	0.9
65.03967	2.1
70.57811	1.3
71.01360	1.0
72.66645	0.9
80.91684	4.7
91.05518	5.0
91.37725	0.9
93.03460	2.8
95.05022	1.1
96.96004	3.7
98.22621	0.9
105.03497	1.7
107.05029	3.8
109.02943	6.3
111.04518	0.9
114.01122	0.8
119.05035	5.0
121.02955	4.7
123.04533	1.7
125.02428	6.1
130.04239	1.2
131.05022	2.0
132.02112	1.3
133.02963	10.5
135.00827	1.2
135.04529	12.1
137.02437	3.0
139.03896	0.9
145.02977	1.9
146.03737	1.6
147.04524	10.7
148.01668	2.1
148.07690	0.9
149.02394	3.6
149.06128	1.0
151.04010	17.7
153.01936	1.5
161.02417	4.5
161.06032	1.2
163.00316	2.0
163.04010	12.6
165.01947	1.5
167.03479	1.3
169.01422	3.7
173.02412	0.9
174.03224	1.2
175.03995	22.0
176.01132	2.7
177.01924	72.7
178.02303	2.2
178.99901	1.0
179.03487	28.5
180.03827	1.5
181.01480	1.6
187.03986	4.5
189.01845	1.1
191.03532	4.7
195.03102	1.5
202.99626	2.3
207.02951	9.7
210.99226	1.1
214.99634	1.4
217.04982	1.3
219.02977	27.0
220.03348	1.1
226.99554	1.1
261.04044	1.2
275.00507	1.5
297.06152	100.0
298.06375	5.7
305.06769	1.5
319.04321	32.6
320.04776	2.7
363.03183	1.9
379.05252	16.9
379.15939	1.8
380.05237	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	379.08
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.2
59.01380	26.4
69.14399	12.7
71.01366	9.1
73.02945	3.6
76.17674	1.7
83.01333	2.0
85.02962	1.8
89.02419	5.1
95.01422	1.8
96.96004	2.9
98.22664	3.8
99.44284	1.8
101.02451	7.3
113.02438	4.6
119.03491	3.2
122.03730	9.2
123.04506	2.6
125.02442	7.5
137.06067	29.5
151.03873	2.0
167.03510	2.9
171.13860	5.1
181.05055	100.0
182.05341	4.6
195.06612	3.6
199.13423	2.7
217.14432	23.6
223.06161	3.2
281.81116	1.9
341.10922	4.9
379.04047	3.6
379.08762	4.4
379.19702	53.5
380.19855	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1397
Annotation	Gibberellin A75
Peak:m/z	Relative Intensity
53.27301	0.8
57.05354	0.7
57.05702	0.8
57.27365	0.7
59.01379	3.8
61.98823	1.5
68.25785	0.7
71.01369	1.6
82.07710	0.7
85.02931	0.8
95.01381	6.8
123.00880	44.7
124.01667	45.5
128.35260	0.7
137.02422	1.3
149.02449	3.9
149.99550	2.0
150.03203	0.9
157.28616	0.7
157.61990	0.7
159.75214	0.7
161.02411	4.5
162.03151	0.9
163.04016	2.8
164.01132	2.3
168.00618	4.2
174.03143	1.8
176.04776	0.7
177.05582	1.4
189.01920	0.9
193.01520	1.0
199.97935	0.9
207.02959	1.3
207.14049	0.9
211.13358	5.4
218.02194	3.1
236.03246	6.1
242.10020	0.8
253.14484	2.3
264.06290	1.4
273.11542	1.5
273.14636	1.3
279.12329	0.9
282.07318	1.2
289.14465	1.9
299.12793	1.7
317.13940	7.8
341.19788	1.1
343.11832	1.1
361.13022	4.9
379.13950	100.0
380.14313	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	379.1578
Annotation	DMH-1
Peak:m/z	Relative Intensity
71.44377	0.7
78.01091	1.8
83.93106	1.1
84.58936	0.8
84.93861	5.6
96.96014	0.8
99.92578	67.6
100.92592	3.4
100.93362	13.7
101.93393	0.8
102.62195	0.9
115.92076	23.1
116.92855	100.0
117.92887	4.8
247.20625	5.8
279.23193	1.0
281.17621	1.6
317.15881	1.6
319.19067	1.3
335.16754	1.8
347.18527	4.9
361.14694	1.6
375.12656	3.0
379.15790	71.5
379.28653	2.2
380.16019	11.6
393.13794	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03430	1.7
59.01378	56.9
69.35735	2.8
71.01377	21.7
72.99301	0.7
73.02943	1.4
83.01379	2.0
83.05026	4.1
85.02940	4.4
87.00890	0.9
89.02446	24.9
95.01385	2.0
101.02430	12.8
103.80927	0.6
106.38790	0.6
113.02449	8.3
113.83098	0.6
119.03492	10.0
125.02449	6.2
135.08136	0.7
137.02402	0.8
137.09709	7.6
149.04549	0.9
155.10779	29.4
156.11130	1.1
161.04504	0.8
165.01869	0.6
167.03447	0.7
169.01404	2.0
177.01915	1.1
179.05554	1.3
181.08694	4.8
199.09756	45.8
200.10083	1.9
217.10794	5.9
249.08472	0.6
305.06638	0.7
379.16068	100.0
380.16391	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.6
61.98831	1.1
61.99749	0.8
62.22389	0.8
69.75082	2.0
71.01386	9.9
73.02906	1.2
79.65860	0.8
82.09778	0.7
83.01384	1.5
85.02945	3.0
87.00867	1.5
89.02441	8.9
95.01368	1.5
98.21944	1.1
99.00932	1.4
101.02435	7.7
102.10493	0.8
113.02447	3.2
119.03513	2.4
120.06847	0.8
125.02448	1.2
125.09764	1.0
131.03729	1.0
132.04539	1.0
134.03850	0.8
137.09698	3.2
151.27376	0.9
153.09201	1.0
155.10776	28.9
156.11125	1.3
161.04672	1.0
171.10272	22.1
172.10579	0.9
173.11804	3.2
181.05107	1.0
185.11827	1.1
199.09724	8.7
200.09738	0.7
201.11336	2.8
213.11327	4.7
217.10800	46.8
218.11087	1.8
225.69070	0.8
241.10738	1.2
246.71512	0.8
259.11758	5.4
265.24048	0.8
285.08707	3.4
317.11478	1.0
347.12701	1.2
379.16037	100.0
379.19760	3.5
380.16382	9.4
384.61642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61614	0.5
55.01847	0.7
57.03434	1.1
58.68236	0.5
59.01377	51.1
71.01379	22.2
72.01691	0.7
73.02940	1.6
77.20468	0.5
83.01370	1.6
83.05019	2.9
85.02946	3.9
89.02443	22.1
95.01389	1.9
98.21854	1.2
99.00871	0.7
101.02438	14.4
105.55869	0.6
113.02446	8.1
119.03489	7.8
125.02441	1.1
137.09724	8.7
137.59792	0.6
138.47026	0.5
149.04517	1.3
155.10771	24.8
156.11139	1.0
161.04549	1.1
179.05566	1.9
181.08719	3.7
199.09746	41.9
200.10150	1.8
217.10789	5.0
247.11928	1.3
379.16061	100.0
380.16443	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	379.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98829	0.7
67.90034	0.5
69.85918	1.6
92.05025	0.5
92.51555	0.5
95.01360	0.5
96.02161	3.3
98.21913	0.9
123.00883	2.0
124.01652	6.3
129.00877	0.5
152.01180	6.3
153.01974	0.8
163.89259	0.4
165.01953	0.6
166.02693	1.2
184.00024	0.5
254.90971	0.5
293.21262	3.5
294.17938	1.7
317.28528	0.7
321.20691	100.0
322.21179	14.6
379.16730	3.4
379.24619	1.5
379.28772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2124
Annotation	Deacylmetaplexigenin
Peak:m/z	Relative Intensity
53.07836	2.8
56.80509	2.5
59.01365	9.8
61.98820	5.6
64.27149	2.8
67.37504	2.6
68.99812	4.3
74.97402	2.8
83.01392	3.5
108.02168	2.7
111.00887	4.1
115.31266	3.2
123.00869	7.8
124.01662	6.5
137.02435	7.6
139.00323	4.6
150.03368	2.5
152.01143	4.4
153.01926	12.9
175.28023	3.3
195.89156	2.6
219.17551	5.5
221.19028	14.7
275.20081	5.7
277.18134	3.9
281.17551	18.7
281.20471	4.4
291.19635	23.0
291.77658	2.8
293.17566	27.7
294.18326	93.7
295.18692	9.4
304.20416	9.8
305.21310	3.6
309.20654	4.7
317.24808	5.0
319.19125	24.5
320.19928	4.1
335.25986	3.2
336.19583	5.3
337.20123	62.7
338.20886	5.5
351.21692	8.3
371.43793	3.0
379.21194	100.0
379.24869	7.7
380.21475	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2484
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
59.01376	1.3
59.51848	0.8
71.45452	0.9
79.65530	0.8
106.10710	1.0
109.02913	1.1
110.03735	1.5
123.00891	3.0
123.04536	4.3
124.01657	2.1
137.02438	22.6
138.03114	1.2
141.01930	1.7
151.03996	4.7
166.66681	0.8
179.03511	3.2
179.10721	1.3
195.94897	0.9
200.38705	0.9
207.10298	1.6
266.18631	1.3
294.17944	7.9
304.20502	5.0
305.21069	4.2
317.25070	1.0
319.22702	3.7
321.20557	1.0
322.20868	0.9
332.20096	2.2
335.24091	2.6
347.22217	11.2
348.22821	1.1
351.25336	2.4
379.24887	100.0
380.25305	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	379.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.51848	0.8
71.45452	0.9
79.65530	0.8
106.10710	1.0
109.02913	1.1
110.03735	1.5
123.00891	3.0
123.04536	4.3
124.01657	2.1
137.02438	22.6
138.03114	1.2
141.01930	1.7
151.03996	4.7
166.66681	0.8
179.03511	3.2
179.10721	1.3
195.94897	0.9
200.38705	0.9
207.10298	1.6
266.18631	1.3
294.17944	7.9
304.20502	5.0
305.21069	4.2
317.25070	1.0
319.22702	3.7
321.20557	1.0
322.20868	0.9
332.20096	2.2
335.24091	2.6
347.22217	11.2
348.22821	1.1
351.25336	2.4
379.24887	100.0
380.25305	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	379.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35703	0.2
59.01367	0.2
81.63228	0.2
81.74892	0.2
108.02171	0.3
111.00894	0.3
113.59061	0.2
116.78893	0.2
116.92863	0.3
124.01657	0.4
125.02428	1.7
139.00302	0.3
139.04089	0.3
141.01920	0.3
143.76584	0.2
152.01108	0.5
153.01933	9.2
154.02655	1.1
166.02776	0.4
167.03487	0.9
170.23120	0.3
275.24078	0.3
293.21259	0.7
294.18100	0.3
303.23337	0.8
307.22791	0.3
317.24881	0.3
320.23596	0.4
321.20688	20.6
322.21460	100.0
323.21799	9.7
336.23068	0.3
347.22186	0.6
364.22556	7.7
365.22934	0.7
379.24881	19.3
380.25174	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	379.2489
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
51.39558	0.5
55.01813	1.0
56.14461	0.5
59.01307	0.6
61.98737	2.7
63.15063	0.5
65.04131	0.5
65.26718	0.5
70.50786	1.3
81.81236	0.5
82.92929	0.6
89.29852	0.5
96.40620	0.5
110.03645	1.3
122.03646	1.4
123.04523	38.4
123.05343	1.9
124.04769	1.3
125.02377	1.1
136.05219	1.2
137.02452	7.8
137.05946	0.7
138.03078	2.0
139.03879	2.4
147.19742	0.8
149.02374	0.6
150.03111	1.0
151.03999	23.9
152.04802	4.9
153.01819	1.5
153.05447	0.8
156.04152	0.6
163.03873	0.8
165.05573	6.3
166.02661	0.6
167.03482	10.5
168.04286	6.5
177.05602	3.2
179.10713	1.3
180.04146	0.9
181.05040	3.6
193.08597	1.3
207.10249	1.1
221.11723	2.1
227.33380	0.7
235.13322	1.9
236.13922	0.6
251.12766	0.7
255.92340	0.7
257.92099	0.8
291.16251	0.9
291.19595	2.4
294.17883	1.2
295.22781	0.6
295.45480	0.5
305.21201	6.4
306.21432	0.7
310.91891	0.6
319.19141	6.1
319.22620	1.1
320.22421	1.5
321.17053	3.1
321.20486	1.0
322.17819	49.6
323.18195	4.8
332.19916	2.1
333.20691	10.2
334.21472	91.2
335.21780	9.7
337.19556	1.2
341.02393	3.6
343.02078	2.7
349.23755	6.4
364.18881	7.3
379.21146	6.5
379.24939	100.0
380.21091	1.0
380.25232	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2488
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
68.99807	2.0
69.03448	2.5
74.19622	1.0
78.01113	3.1
111.00865	2.1
111.08152	12.1
119.05035	1.1
132.73351	0.9
139.00372	7.8
140.01228	1.0
150.59148	1.0
155.19463	1.1
159.25331	1.0
162.70361	1.1
174.54201	0.9
175.08540	0.9
179.17973	1.3
195.17479	4.5
197.19112	3.9
207.17511	1.1
209.19168	2.4
219.17567	9.1
225.18642	2.0
231.20038	1.0
237.18600	6.8
247.20895	1.4
253.18172	5.1
260.21533	1.8
263.16513	2.1
279.27200	1.1
281.17578	77.9
282.17902	6.4
289.25375	6.2
295.08875	1.7
307.23114	1.3
307.26285	5.2
335.22272	2.7
363.15207	2.2
379.24884	100.0
380.25238	12.2
380.96356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.1
59.01379	58.1
61.98817	6.2
62.92994	2.0
65.83298	1.9
69.45249	6.4
69.45640	4.6
79.47635	2.0
118.34686	1.8
136.05278	2.2
191.10851	2.2
194.80042	2.3
227.96510	2.0
233.15508	3.1
238.87794	2.1
249.14966	9.7
261.62021	1.9
267.82385	2.0
269.59167	2.1
294.17877	4.3
301.21768	11.0
319.22751	100.0
320.23010	8.0
337.23758	6.4
348.38876	2.3
379.08624	2.3
379.13745	2.8
379.24622	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
67.05620	0.5
68.43996	0.6
69.39993	0.7
69.40318	2.8
78.01105	9.6
111.00870	10.0
125.99603	1.5
139.00372	47.3
140.01065	2.0
151.54834	0.5
181.05070	3.1
195.17485	1.5
197.19041	1.1
209.19052	0.8
211.38470	0.7
219.17523	28.9
220.17830	1.7
237.18553	2.4
241.80325	0.6
263.16364	0.8
279.16107	0.9
280.16760	3.7
281.17560	100.0
282.17963	6.3
295.15588	1.6
307.26462	1.2
376.50528	0.6
379.24869	60.1
380.25122	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70344	1.5
55.01865	3.5
55.73600	1.7
56.19390	1.5
58.60985	1.4
59.01377	58.6
61.98830	3.9
65.89259	1.4
70.88375	1.5
137.02391	2.1
144.19846	1.8
160.59990	1.8
215.06120	1.7
249.14948	10.0
250.15215	2.1
294.18179	2.5
301.21713	11.3
317.21057	3.3
319.22760	100.0
320.23050	11.1
337.23822	6.0
379.20880	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1561
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.03445	0.6
59.01378	19.0
61.98821	0.6
66.84728	0.4
70.67992	1.0
71.01382	29.5
71.05025	7.6
71.59261	0.5
73.02951	0.8
80.96911	0.4
83.01382	1.6
85.02949	2.3
87.48573	0.5
88.04028	4.6
89.02440	9.1
95.01385	0.8
99.04500	1.7
101.02442	7.5
113.02442	4.5
116.03509	1.0
116.07176	1.5
119.03497	3.1
119.06036	0.5
125.02456	3.0
128.07172	2.5
137.02477	0.5
139.04012	0.7
146.08232	59.5
147.08601	1.4
161.04575	1.4
167.03471	1.0
168.00581	0.7
169.01395	0.9
177.01871	0.7
183.03003	1.1
200.09274	1.2
218.10234	0.9
225.04010	0.5
263.11398	0.8
290.12595	0.5
308.13535	5.9
362.14630	1.6
380.15613	100.0
381.15952	8.6
381.20792	0.3
403.86304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15871	0.9
59.01373	4.9
61.98828	100.0
71.44369	1.1
77.40418	1.2
81.03472	1.4
82.07872	1.0
89.55200	1.0
105.65992	1.1
113.45127	1.2
115.67199	1.2
119.94744	1.0
123.00879	1.4
123.04514	1.8
124.01633	1.5
137.02435	4.1
174.99248	2.1
215.95946	2.9
217.00349	5.6
279.16101	1.9
311.16528	1.9
319.22760	2.2
322.21136	2.9
323.21756	2.3
338.24213	4.1
380.25223	2.1
386.84201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
59.01370	2.9
61.91212	1.5
61.98835	2.8
69.55180	5.5
78.03493	1.6
79.17527	1.3
85.06584	1.4
87.00866	3.8
98.22639	3.1
107.05044	1.6
108.04600	1.4
109.02925	2.6
118.02996	1.9
122.03745	5.2
123.00885	2.3
123.04528	7.0
132.04556	1.7
134.02434	8.2
135.03264	3.3
136.04027	17.5
136.05267	7.1
137.02429	2.6
138.03160	1.5
146.02490	5.9
148.04004	1.8
149.06055	4.6
150.05560	3.2
151.02888	1.7
151.03998	6.1
151.56721	1.5
152.03494	2.2
155.21202	1.6
160.04024	1.7
161.06088	3.9
162.05637	2.9
164.03529	14.0
165.04265	6.7
174.05623	2.0
175.07690	1.7
176.07211	2.0
177.09253	2.2
178.05083	4.4
180.03017	5.3
181.03816	1.6
190.08702	3.4
191.07234	2.0
204.10237	4.1
206.08199	1.9
220.09692	1.6
232.13335	2.4
234.11331	5.2
248.12952	3.8
249.14992	1.7
252.08775	2.0
260.12845	2.3
272.12842	2.5
278.13980	2.3
289.21832	2.8
293.17599	4.9
295.18240	16.8
301.21710	43.8
301.25003	3.0
302.22113	4.1
305.21036	1.7
306.13513	14.2
317.21075	4.3
317.24768	2.3
318.25095	12.8
320.15076	19.0
320.18646	2.5
321.15775	1.7
328.19104	3.1
333.20728	8.6
334.21411	7.1
346.20108	9.5
362.19733	41.4
363.20258	5.0
380.20773	100.0
381.21072	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	381.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86847	0.3
57.91774	0.3
59.01373	1.3
63.02430	0.3
65.00327	0.5
69.34539	1.2
71.01397	1.0
73.02934	0.9
79.95739	4.0
80.96509	0.7
83.01378	0.3
85.02964	0.8
89.02496	0.4
89.53574	0.3
96.96010	100.0
97.02943	0.3
101.02440	1.9
107.01411	0.4
107.47001	0.3
113.02434	0.4
121.02968	0.9
123.04510	0.5
124.01665	5.1
133.02971	0.7
135.04533	1.8
137.02423	0.5
139.00392	0.6
139.04012	16.2
151.00375	2.0
152.01125	1.4
161.04567	0.4
165.01909	2.3
168.19368	0.3
178.99847	1.9
187.00732	0.3
193.01431	1.3
194.02393	0.4
213.47487	0.3
215.00237	1.3
241.05037	1.2
249.13422	2.8
257.08020	0.4
258.05392	1.0
261.56000	0.3
269.04526	0.8
273.07663	9.8
274.08057	0.6
278.22256	0.3
301.07156	13.9
302.07419	0.7
381.02863	13.2
381.17661	2.6
382.03113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.9
59.01072	1.1
59.01375	20.8
61.98823	2.4
69.03452	1.3
71.01379	22.5
72.99303	1.8
73.02934	1.2
75.00864	8.8
83.01390	1.0
85.02452	1.1
85.02950	19.8
87.00871	8.1
87.04505	7.0
89.02438	9.0
91.04020	0.8
95.01369	4.2
99.00871	5.2
101.02440	2.7
103.00381	2.1
109.02969	0.8
113.02446	31.7
114.02798	0.7
115.00375	1.6
117.01936	1.9
119.03480	1.2
125.02476	1.3
129.01953	2.1
131.03503	11.1
134.04701	1.2
137.02443	1.0
139.43758	0.7
151.04073	1.1
153.01917	2.1
161.04576	1.2
167.03574	0.8
175.02455	1.1
177.01855	1.0
183.03076	0.9
193.01389	7.0
195.02956	1.4
199.97063	0.7
207.03056	0.9
207.05026	1.3
232.99445	1.5
249.06094	4.2
255.05042	1.1
267.07190	100.0
268.07565	3.9
273.45718	0.6
313.05600	8.4
321.11935	0.8
345.08188	0.6
381.10327	8.5
381.17499	2.4
382.10492	0.8
383.56049	0.7
398.51389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.1
61.98825	7.1
70.98197	0.8
71.01376	11.4
72.00906	2.5
72.04558	0.9
72.99293	0.9
73.02944	14.2
75.00867	1.1
82.02983	1.3
82.95407	0.9
83.01397	1.3
85.02959	3.7
86.02465	0.8
87.00851	1.5
89.02440	7.4
92.05048	2.1
95.01395	1.5
96.96011	1.0
99.00893	1.3
100.04037	2.0
101.02437	5.8
108.24673	0.9
113.02424	5.0
116.05027	3.6
117.01900	1.0
119.03491	1.7
120.04572	1.0
122.18312	0.8
125.02452	1.2
128.05113	0.9
130.06654	1.0
131.03732	3.0
132.04547	7.8
134.06104	1.1
139.03978	0.9
142.06612	2.0
143.03563	1.0
143.06158	1.7
144.04541	6.2
146.06081	0.9
153.01898	1.0
154.06647	1.4
155.06058	0.9
156.06946	5.1
157.07672	6.7
158.04800	1.0
158.06091	2.4
159.02992	1.0
159.05611	1.7
160.04037	9.4
161.04532	5.4
167.06110	10.5
169.07744	4.5
170.06070	2.3
171.09264	9.5
172.04149	0.9
173.07169	8.4
176.07048	1.5
179.05968	1.6
180.06979	0.9
181.07707	58.4
182.06088	2.5
182.08022	2.4
183.03023	1.9
187.08757	2.2
188.05879	2.9
197.07123	5.0
199.08762	34.4
200.09084	1.8
201.02533	0.9
201.06689	4.1
217.09772	3.6
219.07841	1.0
219.12402	1.1
223.08664	0.8
226.05139	3.3
233.53157	0.8
243.07715	23.8
244.08032	2.0
261.08780	100.0
262.09073	6.9
267.07220	1.7
273.08820	1.7
291.09787	1.3
319.12759	1.8
321.11728	3.3
363.11938	5.6
381.12988	27.0
381.17331	2.4
382.13318	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17198	1.0
57.03432	1.3
59.01376	48.4
69.51460	5.5
70.50055	1.2
71.01380	23.5
73.02949	5.9
78.95899	1.3
83.01390	3.8
85.02956	7.8
89.02444	12.0
90.99346	1.4
95.01368	1.5
101.02446	17.1
113.02444	8.1
119.03487	7.4
121.10234	2.7
125.02455	1.7
131.03505	1.3
131.90909	1.4
152.99451	1.5
161.04608	2.4
183.10277	2.1
224.21904	1.1
321.19189	1.9
345.15521	100.0
346.15869	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	381.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37606	0.4
59.01356	1.0
59.96711	2.8
60.97493	0.8
69.28981	2.8
74.99068	22.6
75.96197	0.6
79.08309	0.5
91.02209	45.1
92.02153	0.7
93.00134	11.1
106.63317	0.4
123.00883	0.5
141.07440	0.8
143.05363	1.1
157.06786	0.5
159.08463	100.0
160.08658	4.0
161.06390	11.9
217.00281	0.7
239.91292	1.0
271.90082	1.0
294.18063	1.1
296.18454	1.6
365.11002	1.7
379.76315	0.5
381.07675	5.9
382.07584	1.5
383.92300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	43.2
69.37673	78.6
69.71269	13.0
71.01363	25.5
92.69333	14.2
96.96009	74.2
96.98347	14.1
173.06015	49.7
183.10231	30.0
217.00267	19.6
315.54306	15.5
381.10458	26.8
381.16663	100.0
382.16968	22.0
397.12177	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	381.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71942	0.7
69.51029	2.3
69.51433	1.7
79.95725	1.7
84.93865	7.6
94.91596	0.7
96.96015	11.7
99.92583	54.5
100.92619	2.3
100.93359	15.3
100.94019	0.9
101.93362	0.9
115.92079	17.5
116.92859	100.0
117.92889	5.8
266.27374	0.8
299.70407	0.8
301.44974	0.8
319.17273	1.1
319.26605	1.9
321.20770	1.1
337.18436	2.4
345.24472	1.5
369.17465	2.2
381.17401	93.7
381.23059	17.6
382.17654	13.2
382.22852	1.1
395.15170	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.8
57.03447	3.8
58.00584	0.7
59.01378	40.1
60.01717	0.6
68.02576	0.4
69.03452	1.4
70.08918	1.0
71.01381	44.5
72.01687	0.7
72.99304	1.2
73.02943	31.1
75.00868	1.1
81.03459	0.5
83.01382	11.0
85.02948	23.0
85.06607	0.4
86.00101	1.5
87.00864	2.7
87.08161	0.8
89.02439	10.5
95.01374	2.8
97.02962	2.4
98.21983	0.7
99.00883	9.6
101.02444	57.4
102.02779	1.0
111.00864	2.0
113.02453	19.5
114.02815	0.4
115.04029	1.8
124.14693	0.4
125.02448	2.8
126.02838	0.5
129.01955	1.0
130.63008	0.4
131.03505	3.1
143.03505	2.5
149.04587	1.1
159.02986	4.5
161.03195	0.8
161.04553	17.4
162.04929	0.6
191.05652	0.7
233.06648	2.7
233.40398	0.4
249.13425	94.0
250.13728	5.4
260.75031	0.5
293.08917	0.9
293.12250	0.6
381.17636	100.0
382.17944	8.0
396.50452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60917	2.0
59.01364	8.8
61.98800	3.8
69.50268	10.0
72.99278	3.1
98.22691	4.9
103.40565	2.4
108.02188	20.4
109.02930	9.1
122.03736	11.3
124.98818	6.2
125.06057	5.2
127.93127	3.1
135.04550	3.2
137.02422	9.0
139.00365	10.3
140.93922	3.2
154.08383	2.4
174.99196	3.8
205.19550	3.9
217.00255	9.6
233.18991	7.2
249.18581	100.0
250.18896	6.8
261.18503	3.3
265.21548	19.4
269.59970	2.9
277.18109	19.7
278.18127	2.7
295.16086	3.0
295.19098	5.9
305.17633	3.6
309.20706	19.1
319.22806	6.3
321.16995	4.1
350.19675	2.6
381.19095	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	381.2044
Annotation	1-Myristoyl-2-hydroxy-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.81472	0.8
53.95355	0.7
54.40456	0.7
59.01384	1.0
71.32443	0.9
73.37284	0.6
78.95900	67.0
91.81452	0.7
96.96958	6.5
136.15559	0.6
150.98044	2.2
152.99583	100.0
153.99931	1.8
160.80873	0.7
171.00635	2.6
193.85629	0.7
217.00237	1.2
227.20122	1.9
275.93423	0.7
381.20343	15.9
382.20956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98785	24.9
63.36291	22.0
65.07760	20.5
69.35249	100.0
101.16692	22.4
141.31496	21.8
233.00217	28.1
236.17226	25.9
263.37360	23.9
279.06335	25.2
303.19498	23.7
325.64136	25.2
375.16678	31.0
381.07526	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	381.2282
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
52.93829	1.0
55.01863	0.9
57.02830	1.1
59.01367	3.5
68.99803	2.4
69.11945	6.9
71.01389	1.2
71.01790	0.9
78.01099	2.2
81.86385	1.0
83.04996	1.0
86.00073	6.5
88.70698	1.2
95.01395	16.1
96.99296	1.2
97.21395	1.0
99.00871	3.1
101.02416	2.7
111.00883	5.2
123.00835	2.0
124.98808	14.7
135.68813	0.9
137.02487	1.6
139.00366	25.9
144.00645	1.9
150.01929	0.9
150.66623	0.9
163.11281	4.8
177.04411	0.9
187.36621	1.0
205.12308	3.6
217.00308	4.7
221.18945	1.8
236.20151	4.5
239.16501	2.1
245.19124	8.5
247.01717	1.0
262.19193	4.5
263.19055	1.0
277.21753	1.2
279.19632	4.5
281.17392	2.1
282.17841	1.1
283.18124	1.5
290.18851	9.0
291.19421	1.3
299.20230	1.4
299.25818	2.7
301.21811	1.1
305.17816	1.7
305.21127	4.3
306.18100	3.3
306.21307	6.3
307.19022	1.8
319.19052	1.2
321.16974	2.9
321.20654	6.0
349.20163	14.9
350.20477	1.6
381.22751	100.0
382.23108	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	381.2282
Annotation	Ircinolin A
Peak:m/z	Relative Intensity
59.01367	0.6
68.99812	1.5
73.02942	1.6
78.01105	8.0
80.02683	0.6
83.01388	5.6
89.77547	0.6
93.03446	0.6
95.01383	11.4
96.02180	0.7
97.02914	0.8
97.06552	0.8
99.00848	3.0
108.02162	0.7
109.02947	2.3
110.00090	6.8
110.03732	0.7
111.00896	0.6
123.00883	100.0
124.01644	2.9
137.02448	9.0
139.03979	0.9
151.03990	0.8
159.02982	0.9
165.05672	0.7
165.09187	1.4
179.07124	0.8
180.07837	0.8
193.08669	7.0
217.00281	0.9
221.19057	2.7
223.20581	0.6
229.19623	1.6
245.19087	50.5
246.19386	4.2
247.13310	3.1
247.20808	1.0
261.14951	1.0
261.22241	2.1
262.19354	0.6
263.86478	0.5
273.18616	10.4
274.18845	1.0
275.20026	1.3
277.21698	13.2
277.24628	0.9
278.22144	0.9
288.09323	0.5
289.17972	0.7
290.18887	12.6
291.19510	2.9
305.21204	84.1
306.21545	6.8
322.17804	1.0
337.23773	1.2
349.20184	23.6
350.20584	2.0
381.22794	80.8
382.23138	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	381.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71263	46.1
69.71601	100.0
71.83427	31.9
72.85870	37.6
88.02950	36.4
96.96000	67.3
98.22653	43.8
114.45095	33.3
137.79890	29.7
243.48517	41.4
381.23135	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	60.1
69.26536	100.0
69.26941	49.4
76.44743	21.9
80.71666	22.6
89.53655	22.0
278.30521	22.4
315.63635	26.6
346.16522	79.4
382.14230	85.9
382.18945	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	382.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.18938	0.5
70.30105	0.4
71.45018	0.5
116.46979	0.5
136.39201	0.6
160.37036	0.5
273.89740	0.6
275.23944	0.6
309.17667	0.6
319.22699	0.6
347.22318	1.3
383.07260	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	382.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	1.7
71.06328	0.8
75.00838	0.6
80.01419	0.7
80.05045	0.7
90.59206	0.7
93.99337	1.3
99.00864	0.7
109.01672	5.4
110.02512	1.2
122.02486	1.7
123.00907	2.8
123.03275	2.0
136.00378	1.3
137.01180	2.6
138.01935	0.9
141.86797	0.7
150.01952	2.5
151.02751	3.9
152.03481	1.1
153.01909	1.7
164.03529	1.2
167.14418	0.8
169.47667	0.6
179.18068	0.8
181.01392	3.8
182.04599	2.1
195.17567	2.1
200.06262	0.6
220.20720	4.8
237.17259	0.8
245.46704	0.6
248.20137	4.2
249.17209	1.5
250.18095	8.4
251.16449	1.4
262.22006	0.7
264.16849	1.3
264.19672	25.7
265.17719	1.1
265.20291	1.3
266.18585	0.6
276.19647	1.2
277.16730	3.1
278.17581	17.0
278.20847	1.3
279.18240	1.3
292.19089	6.5
294.17239	0.7
294.20731	2.3
297.17114	1.5
306.20795	1.3
309.19296	3.0
322.20184	9.2
323.20618	1.2
327.89951	0.8
330.72995	0.7
337.18713	1.0
340.21283	0.9
350.19687	3.1
354.22736	2.5
359.17032	0.7
382.22333	100.0
383.22693	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	382.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04288	9.2
59.01373	15.1
61.98828	100.0
62.39976	7.5
64.24530	7.8
66.16690	8.2
69.41376	9.3
69.91045	27.5
91.05553	8.6
100.68439	9.3
100.72841	8.6
106.43713	7.8
115.51628	10.5
132.91832	7.8
171.69814	8.5
190.48199	9.5
383.07129	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	382.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.0
61.98829	100.0
70.90130	3.1
99.92534	3.5
101.10422	2.9
108.90884	3.2
160.84203	25.9
183.92252	2.8
203.93376	3.5
218.00406	5.2
262.08212	2.9
309.53403	3.4
370.31650	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	383.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17701	0.8
53.74254	0.7
57.03446	9.6
57.14408	0.7
59.01379	1.5
63.02393	1.8
65.00309	3.7
67.10786	0.8
70.82884	0.9
73.02944	2.4
73.05518	0.9
76.86253	1.0
80.96516	1.3
83.01379	6.1
87.38625	0.9
96.96005	20.1
96.96602	1.6
101.02455	1.4
107.01398	4.6
108.02172	1.1
109.02946	3.4
121.02921	1.7
123.04510	5.2
124.01647	3.2
125.02440	100.0
126.02769	2.2
137.02438	3.1
139.04054	2.0
147.04416	1.0
149.02409	6.1
150.03191	2.8
151.00365	19.0
151.03989	6.1
152.01152	9.5
153.01929	13.1
155.25800	0.7
161.02390	1.7
161.06023	1.5
162.05533	1.3
171.04517	1.2
172.05235	1.4
174.03204	2.3
175.03973	15.2
176.04431	1.2
177.01918	19.2
178.99840	13.0
180.00618	1.6
181.01427	3.3
185.06102	1.2
185.25006	1.0
188.04759	1.5
189.05533	4.9
193.05063	1.8
199.03958	7.5
201.02005	1.6
211.06468	0.9
213.05591	2.1
216.04274	1.3
217.05061	10.2
218.05344	0.9
231.06595	1.5
241.05032	7.1
242.02333	0.9
243.02834	2.0
257.04489	1.4
259.06079	4.6
275.05548	5.5
285.04022	65.7
286.04443	5.5
301.03455	2.3
303.05075	79.0
304.05423	8.0
383.00754	13.8
384.00629	1.0
384.12732	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	383.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.5
63.02365	1.3
65.00316	2.0
69.21185	6.7
79.95725	1.7
83.01379	6.1
96.96008	79.8
98.95572	7.5
107.01386	3.9
109.02940	4.3
121.02960	2.7
123.04506	3.7
124.01669	2.3
125.02445	100.0
126.02785	3.2
126.59655	1.1
137.02487	2.8
139.04019	3.9
147.04539	2.3
149.02448	5.4
150.03185	3.4
151.00365	19.0
151.04008	9.4
152.01155	9.0
153.01933	15.1
154.50909	1.2
161.06100	1.8
165.05353	1.4
174.03236	3.5
175.04001	17.1
176.04301	1.5
177.01930	23.0
178.99850	15.5
180.00546	1.9
181.01416	4.3
188.04758	1.4
189.05580	3.6
193.05061	2.9
199.04012	10.9
201.01920	2.3
215.03418	1.9
216.04225	1.9
217.05026	11.3
231.06635	1.6
241.05191	7.6
241.07262	1.3
243.03079	1.9
259.06213	5.4
275.05566	4.4
285.04044	75.4
286.04398	6.7
301.03461	4.1
303.05078	88.0
304.05420	6.6
383.00702	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	383.0772
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
58.06947	2.5
59.01361	3.0
61.98820	8.7
62.36737	2.4
71.23235	4.0
77.61100	2.4
85.65663	2.5
90.41708	2.7
92.34891	2.3
97.82383	3.0
121.02958	100.0
122.03271	3.4
125.89420	2.4
130.71069	2.7
147.04547	3.1
181.06584	5.6
191.03506	12.0
223.07797	2.7
225.05577	8.0
234.99428	3.0
251.07185	4.5
295.06061	10.4
311.09302	12.5
313.07254	17.9
339.08807	12.7
383.07523	34.1
385.03033	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	383.1345
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
55.59070	0.2
55.70926	0.2
59.01374	1.1
65.03966	0.4
69.45370	0.8
71.01371	0.6
71.09047	0.2
73.61414	0.2
76.90255	0.1
83.05064	0.1
85.02925	0.3
86.42169	0.2
93.03454	55.6
94.03790	1.5
98.22583	0.3
101.02463	0.3
137.02440	100.0
138.02768	3.2
179.10757	0.2
268.56693	0.2
383.13556	1.9
384.13770	0.2
398.41858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49097	0.4
59.01387	1.8
59.96947	0.3
66.56478	0.3
69.46564	1.5
71.01376	1.4
73.02980	0.6
75.87453	0.3
83.53210	0.3
89.02446	0.8
94.97798	0.4
96.89507	0.4
101.02426	1.4
101.07439	0.3
108.02168	2.6
113.02444	0.6
119.03554	0.5
121.02915	0.9
136.05339	0.3
147.04520	3.6
161.06070	7.8
162.06860	32.2
163.07207	1.5
175.07733	0.5
177.09203	100.0
178.09560	5.1
221.08179	49.0
221.10445	0.5
222.08543	2.9
222.81126	0.4
244.07326	0.4
263.09070	0.4
321.14041	0.4
347.17047	1.3
383.13449	13.1
384.13828	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57061	0.3
53.04716	0.3
57.03418	0.3
59.01384	1.5
61.98816	0.6
67.04305	0.3
71.01363	1.2
73.02931	0.6
76.93591	0.2
83.05030	1.5
85.02948	0.7
87.00854	0.3
87.99265	0.3
89.02415	0.4
89.36198	0.3
93.03447	1.2
99.04485	0.5
101.02426	0.8
103.04005	0.5
109.02942	1.0
113.02448	0.5
119.05052	0.3
121.02953	0.4
123.00854	0.7
123.04432	0.4
124.01699	0.6
128.02744	0.3
133.02957	0.4
135.04495	0.5
137.01425	0.5
137.02438	7.4
137.06090	0.8
138.03230	4.0
145.02991	0.3
146.03670	0.3
147.04535	0.3
149.06061	0.4
151.03992	0.9
161.02411	0.7
161.04593	0.4
161.06075	0.4
163.04019	2.8
164.01176	0.4
164.04767	0.3
165.05548	1.4
166.02640	0.4
175.04001	0.7
175.07587	0.4
177.01886	2.3
177.05594	0.9
177.09271	0.3
178.06255	0.3
179.03444	0.6
188.04807	0.5
191.03575	0.3
191.07158	0.6
192.07919	1.7
193.08691	3.2
203.07150	4.2
219.02937	0.7
219.06598	0.6
220.03482	0.4
220.07391	2.4
221.08182	100.0
222.08511	5.7
279.05038	1.0
283.72803	0.3
297.06253	1.1
323.17279	0.4
324.10992	0.5
383.13486	20.0
384.13846	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	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10218	0.5
54.10946	0.5
59.01378	5.3
71.01391	2.8
73.02936	1.2
83.01384	0.5
85.02946	1.4
89.02462	0.5
96.96021	7.0
99.00887	0.4
101.02458	1.5
108.02168	1.8
113.02441	1.6
121.02946	1.5
123.04527	1.0
125.02457	2.5
136.05281	0.5
147.04523	3.2
152.01149	0.4
161.04694	0.8
161.06078	6.8
162.06866	26.5
163.07263	1.1
177.09207	100.0
178.09558	5.1
199.13464	0.5
221.08191	36.7
222.08542	1.8
235.10028	1.0
236.96716	0.5
259.09424	0.5
279.09070	1.4
285.04086	1.9
303.05069	1.3
339.05093	1.0
339.11166	4.1
347.16974	1.1
383.00931	1.8
383.09109	0.8
383.13550	14.0
383.24396	0.7
384.13742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85746	8.8
59.01379	52.3
61.98813	33.4
64.74000	9.2
65.65930	8.9
71.01354	33.5
73.02924	13.8
87.88473	8.5
88.06400	8.7
89.02435	25.0
90.39668	8.2
96.95955	30.4
98.21857	32.6
101.02416	21.2
113.02396	15.5
123.04502	10.5
125.02437	94.3
137.06076	12.6
143.31114	10.5
151.00336	12.3
151.03946	10.2
152.01126	9.9
153.01930	19.6
158.57791	9.2
175.03996	17.6
177.01839	22.4
193.01367	9.7
210.88097	9.4
217.04787	10.0
221.08182	13.5
241.04848	10.9
277.66360	8.4
285.03922	65.5
303.05026	73.1
304.05389	14.8
313.10971	10.0
327.72412	10.5
345.15472	65.8
368.00354	10.5
383.00854	55.5
383.14529	100.0
384.14825	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	383.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35765	2.3
59.01379	70.8
61.98824	4.0
69.79547	4.7
71.01379	32.6
71.01737	3.9
72.99325	2.8
73.02937	9.9
78.95906	6.2
79.83893	2.1
83.01378	3.9
85.02959	7.2
89.02443	33.9
99.00885	2.5
101.02437	25.5
109.02996	3.2
110.92692	2.3
113.02497	12.4
119.03497	19.0
121.06599	2.4
123.04493	2.6
125.02458	3.8
134.49872	2.4
143.03514	2.8
152.99594	2.9
153.01897	2.7
161.04559	3.4
167.10770	26.6
179.01759	2.8
179.05592	8.5
197.43993	2.5
221.11771	3.4
227.58588	2.2
251.07436	8.3
295.06345	2.7
347.17087	100.0
348.17294	7.3
380.29507	2.6
383.13113	5.6
383.20776	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	383.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98824	16.9
67.53777	5.1
71.01373	48.1
71.43985	6.2
73.02954	16.0
73.03361	5.9
83.01395	5.5
85.02966	16.8
87.00873	11.3
89.02427	21.1
99.00861	5.9
101.02428	30.9
113.02441	16.1
119.03503	9.4
120.99654	5.9
125.02384	5.0
137.09744	30.7
161.04553	12.5
163.11284	51.5
184.54539	5.3
187.07683	10.1
203.10805	78.1
221.11786	20.9
365.15909	15.7
383.17520	65.8
384.17026	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	383.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53028	2.8
57.03446	9.2
59.01381	7.3
59.86405	3.4
61.98825	3.8
62.50320	3.0
65.00346	4.0
69.26007	14.2
71.01374	4.2
74.69899	3.4
79.95727	3.4
81.03477	2.9
83.01385	6.2
91.00771	3.0
96.96010	91.4
98.95620	4.9
107.01370	5.0
108.02164	3.1
108.90092	3.1
118.94220	13.6
121.06625	3.1
123.04530	4.8
125.02450	100.0
125.74020	3.4
126.02827	3.0
131.09877	3.3
137.02444	6.0
139.04071	4.0
147.04443	4.2
149.02422	5.6
150.03267	3.3
151.00372	16.7
151.04002	13.0
152.01198	8.6
153.01973	17.4
161.06056	4.9
167.03427	3.3
174.03261	4.1
175.03996	22.5
177.01958	22.4
177.09206	23.1
178.15681	3.0
178.99852	14.0
181.01390	4.3
188.04785	4.2
189.05632	5.3
191.10837	4.2
199.04077	9.9
201.01892	4.5
201.09230	10.0
211.04073	3.1
217.05077	12.2
219.10333	4.4
221.08171	9.7
241.05028	6.7
249.04440	7.1
259.06201	4.9
263.09271	6.0
275.05579	8.4
285.01117	6.5
285.04034	72.6
285.06927	5.7
286.04343	5.4
301.03464	5.3
303.01550	4.8
303.05069	98.1
304.05347	8.4
308.49750	3.9
383.00745	21.6
383.07953	24.7
383.14526	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	383.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64984	4.7
53.43201	4.8
57.03436	17.5
59.01365	12.8
61.98829	6.7
62.98446	4.5
70.78791	7.1
71.01362	5.8
75.47244	4.5
79.95712	7.4
83.01372	9.5
96.96012	80.2
98.95589	8.0
107.01372	7.1
121.02966	5.5
123.04471	9.2
124.08530	4.4
125.02443	100.0
137.02435	6.5
151.00346	19.7
151.03993	7.2
152.01157	5.8
153.01923	15.3
160.48221	4.7
162.99121	4.6
175.04010	15.4
177.01950	25.5
177.05542	6.3
177.09213	34.6
178.99910	12.5
189.05576	5.2
199.03979	10.3
217.05045	10.1
221.08157	13.1
225.67049	5.2
234.03233	5.4
241.04951	8.0
275.05560	6.6
285.04013	61.7
303.05084	80.3
383.00385	25.1
383.14648	28.9
384.00891	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	383.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98804	0.4
69.30029	1.2
71.01378	0.4
74.52417	0.3
79.05534	0.5
81.03431	1.6
122.03723	0.9
135.11809	4.2
137.09706	6.4
149.06047	0.4
162.85838	0.3
164.08432	2.3
177.12814	0.8
179.10764	100.0
180.11119	5.3
198.80104	0.3
203.10582	0.3
221.11804	10.3
222.12164	0.5
223.91814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71381	1.2
55.91643	1.2
59.01379	100.0
71.01382	24.7
72.99322	1.4
73.02927	4.3
78.45156	1.2
83.01376	2.8
85.02946	7.4
87.00896	1.7
89.02441	21.3
95.01366	1.4
96.96008	1.7
101.02431	19.9
107.10245	1.1
108.44789	1.3
113.02443	11.4
119.03489	8.2
128.44933	1.1
136.53357	1.2
140.55318	1.1
140.56606	1.2
141.25729	1.2
143.03548	2.3
161.04588	14.7
161.11841	4.2
174.43045	1.3
179.05676	7.8
191.30455	1.4
323.17081	45.2
324.17529	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09683	8.1
61.98829	14.7
69.41241	16.2
69.41652	28.7
71.31100	7.9
98.22607	15.4
117.54782	7.8
124.01684	17.7
127.00372	40.1
159.08452	15.4
223.20674	11.1
256.64343	7.9
273.89691	10.4
305.21249	100.0
321.24268	13.6
325.18344	13.0
337.23938	11.9
337.60678	7.9
365.23154	26.4
383.07101	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03553	3.7
52.94138	3.7
59.01394	5.7
61.98817	11.1
69.84026	8.5
69.84394	8.8
73.02937	12.1
104.68781	4.2
111.00908	6.6
125.34824	3.7
186.49907	3.9
223.20665	62.9
224.21135	4.4
233.00084	4.2
234.56160	4.0
251.20053	3.9
253.21690	17.9
255.23199	12.0
267.23264	23.8
279.19611	4.4
283.22644	19.4
295.22754	100.0
296.23111	9.1
310.18283	4.5
311.22375	24.1
312.22635	5.4
336.29196	5.0
383.25992	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	383.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77312	14.4
59.01381	20.8
60.62138	14.9
61.98827	70.2
66.35251	16.0
67.93861	14.4
83.63208	18.1
90.60660	13.7
91.21323	13.7
110.76337	15.3
134.93353	14.1
174.50496	14.8
216.86557	16.8
219.97704	22.9
241.90726	25.9
291.62698	15.4
383.07123	100.0
383.18732	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	383.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65494	18.5
59.01384	42.1
61.98824	100.0
69.15756	60.6
69.16165	68.0
82.43037	18.6
101.87417	19.8
160.74539	19.9
217.00188	26.7
219.97771	33.0
229.33165	23.6
266.24033	24.2
267.23581	23.0
277.25275	28.9
295.26324	75.3
298.15536	27.0
339.25281	31.6
341.02328	57.8
347.25812	61.6
365.23346	63.9
383.07303	46.8
383.24445	97.0
384.07788	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14155	1.7
59.01379	2.0
61.98832	3.3
66.38654	1.7
69.22923	10.5
71.45013	1.5
98.21828	3.3
101.65506	1.8
122.89394	3.2
123.00872	2.5
133.66534	1.9
137.99583	3.8
151.41638	1.8
157.92322	2.2
183.01204	2.2
185.91716	3.7
195.17545	4.2
227.75012	1.7
237.15805	1.7
241.90726	19.4
251.16521	1.9
255.92215	1.9
273.50861	1.9
273.89706	17.4
301.21765	3.5
319.19281	3.1
325.18433	7.8
355.07690	3.0
383.07150	100.0
383.26169	2.1
384.07349	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	383.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	8.9
61.98828	27.1
69.55865	25.0
69.56266	16.1
74.64853	7.8
80.91703	12.3
83.27498	8.5
92.40630	9.8
98.22604	10.3
162.57382	9.8
162.84882	9.0
176.88158	8.6
209.83655	9.0
223.20596	10.7
237.86916	12.1
265.14670	9.0
383.07159	43.9
384.08884	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	383.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05941	4.6
59.01349	6.5
61.98825	24.0
69.56756	10.2
69.57103	13.1
98.22668	5.5
116.92832	7.6
122.89407	6.1
125.87492	5.7
160.84198	87.2
163.47380	4.6
177.67567	4.3
183.01045	5.0
184.49483	5.3
192.04578	5.2
221.26221	4.9
241.90787	18.1
265.14166	5.7
273.89740	19.1
325.18344	21.7
383.07178	100.0
383.22397	9.5
384.01224	15.8
384.07596	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	383.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21571	67.4
56.17023	50.6
69.94755	100.0
69.95093	95.6
74.02100	69.8
140.35258	62.0
158.42558	74.3
165.77222	75.4
195.74573	71.9
206.42078	76.4
227.24135	62.5
332.41064	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2588
Annotation	Surinone B
Peak:m/z	Relative Intensity
56.27698	0.6
61.98821	2.1
63.06409	0.7
81.03454	42.2
95.01387	0.9
97.27091	0.7
122.03712	3.5
122.89433	2.2
123.00903	2.7
123.04522	100.0
124.04878	3.5
137.99622	2.5
148.90930	0.9
150.02625	0.7
157.92284	2.7
183.01222	1.6
185.91849	1.7
195.17535	2.0
212.60812	0.8
213.91243	1.7
241.90738	11.4
242.91138	1.1
251.16556	1.0
254.91492	3.0
255.92232	1.5
273.89737	13.1
325.18408	5.7
345.24347	2.2
355.07666	2.0
359.77353	0.8
366.89758	0.7
383.07181	63.1
383.25900	73.4
384.07520	7.8
384.26245	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2589
Annotation	Isodehydroluffariellolide
Peak:m/z	Relative Intensity
53.68425	0.8
59.01383	1.0
63.00376	0.8
81.03452	3.5
87.89233	0.9
108.02197	0.8
122.03722	10.7
123.04581	1.9
123.18231	0.9
135.04518	15.6
136.05321	1.0
141.26045	1.0
149.06059	5.9
177.09209	1.4
191.10808	2.9
249.15205	1.3
299.23593	2.4
324.43359	0.9
339.23245	2.0
341.24838	100.0
342.25143	11.1
383.25864	55.4
383.30710	1.9
384.26074	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	384.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	71.8
68.96164	1.6
69.36959	3.3
69.37366	6.8
70.13017	1.7
71.01379	41.3
71.01778	2.5
72.99306	2.7
73.02959	2.2
73.15175	1.5
73.76534	1.6
78.95915	2.6
81.03468	1.9
85.02932	5.4
87.00874	4.4
89.02443	54.9
95.01363	3.9
101.02435	23.9
108.02153	3.7
111.00883	2.1
113.02444	17.4
114.02732	1.6
116.92869	2.1
119.03526	17.7
123.04497	6.6
125.02449	2.3
126.98881	4.0
131.03465	2.7
131.08264	5.4
133.01448	1.7
138.03270	2.9
139.45781	1.8
143.03506	3.6
152.01073	2.6
153.01784	2.0
161.04529	6.5
171.94487	1.7
173.10432	3.6
179.05589	27.2
179.07135	15.2
186.01218	1.7
207.05124	1.8
210.95119	2.5
223.06136	14.9
280.95605	2.1
286.06430	5.3
313.96414	1.8
341.10843	100.0
342.11298	8.8
385.11389	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	384.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67489	1.8
53.82168	1.8
59.01379	76.2
69.84231	6.2
71.01005	3.4
71.01384	44.0
72.93070	2.0
75.48114	1.9
76.87272	1.7
85.02950	5.5
89.02439	63.1
95.01373	2.7
95.42037	2.0
101.02438	21.1
101.47253	1.9
113.02432	20.3
119.03491	20.3
131.03516	2.6
143.03458	2.8
143.30193	2.3
161.04523	8.0
173.10445	4.7
179.05632	27.0
188.18422	2.1
341.10889	100.0
342.11154	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	384.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	66.0
65.12897	1.2
65.54503	1.3
70.28316	3.4
71.01381	41.5
73.02955	2.0
81.03464	2.6
83.01363	2.6
85.02946	6.0
87.00867	3.2
89.02442	59.4
95.01387	2.6
96.96980	3.7
101.02448	19.4
110.42863	1.5
113.02439	16.2
119.03510	21.1
123.04514	13.4
124.01645	7.2
125.02423	6.1
131.03522	3.0
131.08220	1.9
137.02423	6.0
137.06033	3.3
138.03236	14.1
143.03494	3.4
150.03334	1.6
152.01166	2.4
160.71622	1.5
161.04498	6.0
161.06073	4.5
163.03984	3.9
164.04720	2.0
173.10510	1.5
178.06342	4.5
179.05597	24.6
179.07124	92.8
208.78761	1.6
221.04497	1.8
222.05333	3.4
223.06125	63.7
285.61795	1.4
316.86520	1.5
330.78165	1.6
341.10864	100.0
342.11081	6.9
385.11438	26.9
387.92191	1.6
409.63583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35165	2.1
58.11855	2.1
58.19045	2.1
59.01377	97.7
69.30944	9.9
69.31355	4.6
71.01372	34.4
71.55918	2.2
73.02944	97.3
83.01375	15.1
85.02930	4.6
88.10771	2.0
89.02447	14.3
93.03454	6.7
101.02447	54.0
108.30372	2.5
113.02452	11.5
119.03468	5.3
125.02390	3.6
131.03511	2.7
143.03532	3.3
161.04494	5.4
162.05618	32.8
163.05998	2.3
174.61861	2.4
180.06642	8.0
194.71342	2.1
211.43063	2.1
239.00485	2.4
324.10944	9.9
342.11884	28.2
384.12985	100.0
385.13364	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	384.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01379	14.0
61.98837	4.2
69.31839	7.7
71.01379	12.4
81.03449	2.8
85.02950	3.7
89.02449	6.2
93.03440	1.9
96.96014	2.1
98.22692	3.5
101.02422	6.7
105.63578	2.3
113.02483	4.6
119.03508	3.7
120.77826	2.2
125.02469	3.8
128.01672	2.1
137.02516	2.3
137.09746	5.7
139.86646	2.0
142.30736	2.0
151.04015	2.0
158.90347	2.2
161.04562	10.4
179.10771	100.0
180.11176	3.5
190.09903	3.4
205.12367	6.7
223.09753	58.1
223.13390	8.6
338.97571	2.1
341.16092	3.5
385.18683	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	384.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33627	8.0
67.51366	7.5
69.29890	14.1
69.30289	24.5
97.77610	7.0
98.21828	12.6
98.22445	30.1
126.60336	6.9
137.02484	13.1
138.03249	11.5
157.83276	7.9
218.93045	6.9
248.14383	7.9
304.20428	24.7
305.20984	73.6
306.21487	62.4
332.18707	8.8
341.24741	23.5
346.69211	7.1
347.22287	71.5
348.22571	100.0
349.22705	9.9
407.83456	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	385.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64096	4.7
56.95568	4.5
59.92849	6.1
63.00384	4.8
70.34128	12.9
75.66869	4.6
89.02432	11.4
96.95963	7.5
122.89462	6.4
126.30782	5.1
131.03767	5.0
148.04062	6.2
167.06319	100.0
168.06606	6.8
192.53687	5.4
195.17517	51.6
211.05324	55.5
227.20177	13.4
233.00505	6.3
251.16533	9.8
267.16101	10.2
327.18130	21.0
327.26065	6.1
336.62036	5.4
341.24844	5.4
342.08923	28.4
352.77112	5.6
385.12418	32.4
385.23807	23.1
405.26050	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1136
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
59.01368	1.1
61.96919	0.3
63.01270	0.3
69.62331	1.4
78.91886	0.6
80.02680	0.4
83.01379	0.4
96.02168	0.5
108.02148	0.6
109.02943	1.0
109.06590	2.7
110.03719	0.5
117.07077	0.4
119.06794	0.3
122.03741	1.6
123.08146	0.4
124.01663	8.9
125.02460	2.5
133.06572	1.1
135.08154	0.7
136.01620	0.4
136.05321	0.5
137.02434	5.7
137.06061	2.3
138.03226	18.5
139.03506	0.5
146.03703	0.4
150.03233	2.3
151.07652	2.3
152.01195	0.6
153.01949	0.8
159.04523	0.4
161.06079	7.1
163.04012	2.7
164.04811	2.2
177.05577	1.1
178.06310	1.8
179.07129	100.0
180.07466	4.9
192.00566	0.7
205.05106	0.8
222.05289	1.2
223.06110	68.5
224.06473	4.4
229.29312	0.3
265.07220	0.4
327.07092	0.8
385.11377	21.5
386.12024	2.1
397.83701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
70.70765	0.7
71.01385	0.6
78.91884	0.8
108.02152	1.0
109.02947	1.0
109.06583	2.0
110.00115	0.5
110.03770	0.5
117.07152	0.4
122.03732	1.2
123.00865	0.7
123.08152	0.7
124.01659	7.2
125.02460	2.4
126.02769	0.4
133.06581	1.1
137.02454	5.5
137.06042	2.9
138.03220	14.9
139.03592	0.5
143.05042	0.6
143.50629	0.4
146.03749	0.5
146.30315	0.4
149.02299	0.4
150.03186	1.8
151.03964	0.8
151.07603	2.5
152.01129	1.3
153.01868	0.5
159.04466	0.7
161.06096	5.5
163.03983	3.3
164.04810	2.1
166.02690	0.4
177.05589	1.0
178.06273	1.2
179.07124	100.0
180.06194	0.5
180.07486	4.1
192.00629	4.2
193.01285	0.9
194.02191	0.9
205.05222	0.6
206.02206	0.6
207.02916	2.0
222.01674	0.6
222.05212	0.7
223.06099	59.5
224.06445	4.0
234.01619	2.0
249.04054	0.8
305.11475	0.4
312.04807	1.8
327.07181	6.5
328.07797	0.5
385.02997	2.2
385.11343	20.3
386.11652	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
50.08783	0.4
50.36931	0.3
52.26429	0.4
59.01074	0.6
59.01377	13.6
67.52747	0.4
69.49638	1.9
71.01378	6.0
85.02982	1.2
89.02441	5.5
91.01921	0.8
93.03444	0.5
95.05025	0.5
97.06612	1.2
98.22535	0.6
101.02454	2.4
106.91848	0.4
113.02433	2.1
119.01395	4.4
119.03506	1.4
123.04537	0.8
123.08144	0.4
136.94540	0.4
137.02496	0.6
137.89108	0.3
147.00903	2.8
149.02443	5.6
149.06006	0.6
151.04013	0.4
154.95013	0.4
161.02530	0.5
161.04547	0.4
161.09721	1.1
162.03185	0.5
163.04082	0.5
163.07809	0.4
164.04803	6.3
165.01964	0.8
175.00363	24.5
176.00717	1.4
178.06322	0.5
179.07092	2.8
181.05130	0.5
189.01915	0.6
190.02715	69.9
191.03094	2.9
193.01378	0.6
205.05048	100.0
206.05453	5.4
208.03758	1.7
217.01428	0.7
221.08218	1.5
223.06122	19.7
223.09567	4.4
224.06424	0.8
232.03781	0.9
237.07811	0.5
247.06096	6.0
265.07211	3.8
295.08151	0.8
325.09195	1.6
367.14035	3.6
385.11301	6.8
385.15668	1.4
386.11530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40388	1.9
54.30756	1.6
55.01868	1.7
57.03445	3.0
59.01379	99.1
61.95710	1.9
61.98835	2.0
69.34795	8.2
71.01383	42.8
72.99297	3.0
73.02934	8.7
73.33762	1.8
73.36364	1.9
83.01385	3.1
85.02940	10.3
87.00872	1.8
89.02440	40.8
95.01369	3.4
95.05010	2.6
101.02444	24.5
111.50959	1.7
113.02448	18.2
119.03497	14.7
120.05811	4.2
125.02423	3.7
133.10159	4.2
135.04593	1.7
135.11813	13.5
143.03505	2.9
146.07349	2.7
153.09215	4.1
159.08147	2.5
159.11774	4.8
161.04488	4.7
161.09715	29.3
173.02356	1.8
174.01665	5.8
179.05574	3.7
179.10776	100.0
180.11046	3.0
181.08655	2.7
203.10751	8.6
205.08659	2.2
205.12285	6.0
211.13484	2.2
221.11879	4.0
223.09747	63.1
223.13351	7.8
224.10046	4.5
265.10754	2.6
265.62701	1.7
267.12390	2.4
283.09756	4.0
309.08511	2.0
325.10571	2.3
349.18567	6.9
367.14243	2.5
385.14502	2.3
385.18524	13.6
385.22604	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55577	2.0
57.03439	5.3
57.49297	1.9
59.01376	25.7
59.97930	1.9
61.27335	1.9
61.98827	2.4
62.40390	1.8
64.46613	1.8
68.99827	2.2
69.43094	2.2
69.44318	9.2
70.09968	2.2
71.01366	12.6
72.99284	7.1
73.02946	4.0
75.00861	4.0
76.63990	1.9
83.01366	3.6
85.02953	2.9
86.14783	2.1
87.00881	3.0
89.02425	3.9
96.89732	1.9
99.00880	23.5
101.02441	2.0
111.00855	5.0
112.98808	26.0
115.00360	8.7
117.01969	2.7
125.02438	26.7
126.88165	2.2
132.47156	2.2
142.99857	38.7
156.00656	3.4
156.89200	3.0
161.02443	8.5
173.00876	16.6
174.01695	100.0
175.02538	11.1
177.05548	5.0
179.07094	4.6
195.13937	3.0
197.31085	2.0
205.12323	3.6
211.13382	26.4
212.13782	2.4
222.06857	6.2
223.09766	9.1
223.13374	14.0
237.05801	4.1
237.13214	5.7
263.12921	7.4
265.07620	3.5
267.12323	16.3
279.12463	2.8
281.04858	12.1
305.13977	3.8
307.11884	18.2
312.46231	2.3
317.02493	11.3
325.12930	2.7
341.10388	2.2
349.04980	4.4
349.12881	7.1
350.12851	2.4
367.13956	45.7
368.14108	3.8
385.14148	7.2
385.22345	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	7.3
57.79803	1.2
59.01378	18.2
61.98812	1.3
65.83910	1.3
69.03428	1.6
71.01387	15.3
72.99303	7.9
73.02935	3.4
74.62482	1.2
74.99071	2.0
75.00861	2.5
81.03450	1.8
83.01398	4.8
83.05029	2.4
85.02961	5.5
87.00872	4.5
89.02452	2.8
95.05053	2.7
99.00874	19.0
101.02441	5.7
111.00858	6.5
111.08133	1.7
112.98803	23.0
113.02428	4.2
115.00372	4.1
119.03499	1.4
123.04509	4.0
123.11069	1.3
124.98855	2.2
125.02440	46.1
128.69043	1.6
135.02994	4.0
135.08202	2.4
142.99858	38.0
145.01425	1.9
148.01672	1.3
151.75180	1.5
156.00668	3.6
161.02448	11.3
161.04593	2.2
173.00916	21.2
174.01689	100.0
175.02484	8.7
175.03893	1.7
177.01895	2.1
177.05576	2.4
179.07161	10.2
179.14397	2.3
201.05531	2.2
205.12355	3.7
207.13898	1.5
211.13394	30.5
212.13742	2.0
223.09834	6.9
223.13370	16.9
235.13501	2.4
237.11234	1.5
237.14986	1.6
245.11797	2.7
251.12735	1.4
261.14896	2.9
263.12802	6.1
267.12350	17.7
277.14230	1.7
279.12360	2.6
281.04745	3.0
281.13837	1.8
285.13400	1.4
297.17102	3.2
305.13739	1.9
307.11856	12.8
317.02353	3.3
325.12915	3.5
325.16464	2.7
341.10278	3.3
349.12689	2.7
367.13971	39.6
368.14197	3.4
376.35541	1.7
385.13559	6.5
385.18698	4.7
385.22684	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10557	1.6
57.03432	2.2
58.12163	1.8
58.69875	1.9
59.01379	13.0
60.37933	1.8
64.36428	1.8
68.99800	2.0
69.39799	3.6
69.40191	4.0
71.01379	10.6
72.99301	5.7
73.02937	2.2
83.01411	1.8
83.05065	2.4
84.06454	1.7
85.02924	2.7
99.00895	20.6
111.00850	4.6
112.98826	23.5
115.00364	5.3
122.03805	2.1
125.02474	4.0
137.02444	3.1
142.99855	33.2
156.00655	4.1
164.04890	2.0
173.00894	19.6
174.01686	100.0
175.02356	4.7
177.05521	2.3
192.60207	2.1
193.74712	2.1
205.12424	3.5
207.13818	3.2
211.13405	25.9
223.13322	14.7
251.12994	2.2
263.12872	6.1
267.12320	13.6
287.12665	2.5
307.11884	19.9
349.12872	5.7
367.13940	57.3
368.14255	6.2
385.14828	4.9
385.22287	2.4
385.26825	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01379	100.0
60.01713	0.8
65.33320	0.3
71.01378	3.5
73.02962	0.8
85.02971	1.3
88.55980	0.4
89.02444	3.1
95.01382	0.4
97.02960	0.4
98.21779	0.6
99.00883	0.3
101.02457	2.3
113.02450	2.9
113.06111	0.7
119.03540	1.3
123.28668	0.3
125.02456	0.5
156.31071	0.3
161.04581	0.7
179.05708	0.5
179.07210	0.7
198.30719	0.4
219.30905	0.3
223.06065	0.6
223.09920	0.4
223.13513	1.4
253.79108	0.3
296.39612	0.4
318.91519	0.3
367.14038	1.0
385.18848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80873	0.4
59.01377	100.0
60.01719	0.7
60.14967	0.5
62.37536	0.4
70.14840	0.9
73.02953	0.7
89.02429	0.6
93.33278	0.6
113.02504	0.6
127.60549	0.5
148.06804	0.5
158.99535	0.5
223.09636	0.7
261.65192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1511
Annotation	Icariside H1
Peak:m/z	Relative Intensity
55.01864	0.7
59.01378	2.5
60.02545	0.3
71.01362	0.8
71.04997	1.2
81.03455	0.3
89.02445	0.4
95.05009	0.9
96.95999	1.0
98.21870	0.8
101.02415	0.4
105.07082	0.9
107.05027	1.5
119.03520	0.3
123.08166	8.4
124.08452	0.3
125.02438	0.6
125.06107	0.4
135.11792	1.1
136.05330	0.6
137.06081	1.0
137.09702	4.2
139.03908	0.3
139.56972	0.3
149.02382	0.5
151.04002	5.7
159.08130	0.5
161.09718	14.2
161.11072	0.7
162.10083	0.6
163.04024	0.3
163.07643	3.9
164.04778	0.6
165.01851	0.3
175.00357	1.4
179.07140	1.2
179.10783	8.4
183.27763	0.3
190.02708	4.4
205.05078	6.4
205.08687	19.4
206.05519	0.5
206.09007	1.2
223.06151	2.5
223.09750	100.0
224.10107	6.4
247.06090	0.5
303.05130	0.4
343.82916	0.3
385.15067	19.5
386.15479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81205	0.8
55.01867	1.5
57.03431	2.0
59.01378	100.0
64.00049	0.8
69.03455	1.9
70.80306	1.0
71.01366	6.3
72.99326	1.0
73.02927	4.6
81.03486	0.9
83.01376	2.3
85.02959	5.0
87.00917	0.9
89.02474	1.8
95.01368	1.3
97.06613	1.9
99.00877	1.7
101.02431	5.7
109.15791	0.7
111.00880	1.6
113.02440	3.1
121.02992	0.9
123.04564	1.6
123.08149	1.8
125.02516	1.4
142.99739	0.9
159.06645	1.9
161.04562	1.4
174.01662	1.0
179.10736	4.1
180.32605	0.7
181.05008	2.0
181.12373	1.3
185.00768	1.3
223.09883	2.2
223.13382	54.8
224.13693	4.0
260.62006	0.8
265.14215	1.0
367.14111	2.3
385.18710	81.0
386.19125	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46282	0.2
59.01379	4.0
61.98837	0.3
63.37051	0.2
63.56897	0.2
69.35034	0.5
69.35435	0.8
71.01381	2.6
78.27964	0.2
85.02949	0.3
89.02451	0.4
101.02426	0.6
107.33183	0.2
121.32590	0.2
122.03753	2.0
123.04520	0.7
135.04523	1.6
136.05313	3.0
138.39198	0.2
140.84891	0.2
147.08183	0.5
148.05284	0.7
149.06046	0.3
151.07639	3.6
163.07635	2.9
164.08411	3.0
165.08723	0.2
168.04248	0.2
179.10770	0.8
190.06403	1.3
191.07080	1.0
205.08704	7.6
206.08936	0.5
212.74892	0.2
223.09746	100.0
224.10086	6.1
241.10742	0.5
265.10684	0.3
385.15036	13.4
386.15292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
59.01373	4.4
65.64249	0.5
69.44255	1.9
71.01357	1.6
71.04990	1.2
73.02911	0.4
83.05069	0.4
84.88636	0.4
85.02943	0.4
86.58547	0.4
89.02428	1.6
91.01869	0.4
94.96674	0.4
95.04993	0.4
101.02406	0.6
101.63950	0.4
105.07080	0.7
107.05028	2.1
113.02395	0.7
119.01341	0.8
123.08152	8.2
135.11775	0.7
136.05281	0.6
136.75430	0.4
137.06052	0.5
137.09714	3.9
147.00830	0.7
149.02429	1.7
149.05995	0.8
151.04008	5.6
160.85120	0.4
161.08432	0.7
161.09726	14.0
162.10005	0.9
163.07669	3.9
164.04747	1.6
175.00380	5.7
175.33809	0.5
179.07126	0.7
179.09314	0.5
179.10785	7.4
190.02724	13.5
191.03078	0.9
193.01476	0.4
193.03165	0.4
205.05063	21.3
205.08681	18.5
206.05516	1.2
206.09061	1.1
207.06604	1.1
208.03604	0.5
223.06151	5.3
223.09747	100.0
224.10068	5.4
247.06096	1.7
265.07202	1.0
265.11020	0.4
385.11279	0.8
385.15085	19.0
386.15497	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03449	0.9
58.00585	0.4
58.25146	0.3
59.01379	51.3
60.01731	0.4
71.01381	21.9
72.01688	0.3
72.99310	0.5
73.02949	1.4
74.81474	0.3
80.92263	0.3
83.01376	1.7
85.02946	5.6
87.00867	0.6
89.02441	16.7
90.02778	0.3
95.01392	2.5
97.33130	0.3
99.00891	0.4
99.81170	0.3
101.02447	11.7
108.02192	1.3
111.00885	0.5
113.02453	6.3
119.03497	5.6
120.05785	0.3
121.02985	0.3
122.03773	0.9
131.03526	0.4
136.01683	0.4
136.05290	1.0
137.02507	0.4
149.04639	0.3
151.04066	0.6
153.05585	0.6
161.02448	0.5
162.06871	0.8
163.04008	0.7
164.04784	2.7
168.00690	0.4
175.03992	0.7
179.07137	3.6
188.96153	0.3
190.06389	2.5
191.06969	0.7
205.08681	15.3
206.09105	0.8
208.07365	0.6
223.09752	25.2
224.10124	1.8
331.11899	0.3
385.15018	100.0
386.15375	9.1
386.19138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00379	2.4
51.31804	2.1
55.01861	2.0
57.03448	2.8
59.01375	100.0
61.98832	2.9
69.51753	4.4
71.01374	40.6
72.99294	2.6
73.02940	8.1
74.57817	2.1
80.95435	2.1
83.01384	5.8
85.02953	12.0
87.00866	3.9
89.02440	31.4
93.03469	3.8
95.01401	3.4
99.00830	2.7
101.02457	14.2
106.44096	2.4
113.02444	16.3
119.03503	7.5
120.05798	4.1
125.02461	4.3
135.11823	16.2
137.02435	5.0
142.99924	2.5
153.09183	3.7
159.11784	3.8
161.04539	4.5
161.09717	29.9
163.11354	5.4
174.01645	6.5
179.05621	5.2
179.07071	2.7
179.10767	85.6
180.11137	5.2
181.05164	2.9
181.08630	11.2
203.10786	8.2
205.12398	3.4
211.13393	2.5
221.11797	3.9
223.09750	64.3
223.13402	10.0
237.14424	2.4
265.10876	3.2
283.09744	3.9
295.06064	3.5
325.10504	2.8
349.18628	5.9
385.18533	9.7
385.22614	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	385.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35486	0.4
55.01862	0.7
59.01379	4.1
71.01357	1.6
71.04993	1.3
78.83118	0.4
81.03423	0.5
85.02952	0.4
89.02409	1.4
95.04992	0.6
101.02454	0.5
105.07075	0.7
107.05000	2.0
113.02433	0.8
119.01346	0.7
123.08158	7.2
128.16251	0.4
130.57417	0.5
135.11819	0.8
137.09708	3.5
147.00926	0.8
149.02411	1.5
151.02998	0.5
151.04018	5.9
161.09709	14.8
162.10057	0.9
163.07664	3.9
164.04771	2.1
175.00342	6.0
179.07095	1.1
179.10756	7.8
190.02705	16.0
191.03058	0.7
205.05057	24.4
205.08659	18.4
205.10614	0.8
206.05492	1.3
206.08969	1.0
207.06642	1.3
208.03751	0.7
217.01311	0.4
222.09064	0.7
223.06117	7.0
223.09737	100.0
224.10106	6.2
247.06093	1.1
265.07114	1.1
325.09186	0.6
385.11261	1.1
385.15121	18.7
386.15430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03451	1.9
59.01378	50.4
68.28226	0.6
69.03445	0.9
69.34756	3.2
71.01378	12.1
72.99296	1.1
73.02945	7.2
80.83781	0.6
81.03438	1.1
83.01397	4.0
85.02951	7.8
87.00875	1.2
89.02434	4.1
93.03471	2.6
95.01389	1.4
97.02979	0.8
97.06599	1.8
99.00883	2.7
101.02441	9.9
105.03474	1.4
109.06603	0.8
109.96313	0.6
111.00881	2.2
113.02410	4.0
119.03524	1.0
121.02943	1.6
123.04550	0.7
123.08199	0.7
125.02454	1.5
137.02443	7.4
137.09770	0.9
137.85522	0.7
140.83704	0.6
141.01791	1.1
142.99870	0.9
149.02454	1.3
159.03024	1.0
159.06647	1.0
161.04579	1.7
162.79181	0.6
174.01709	2.0
179.10722	3.2
181.05058	5.2
181.12332	1.6
205.12306	1.8
223.13393	71.7
224.13696	5.0
225.07825	0.8
243.08850	0.6
265.14389	0.8
283.09784	1.2
283.51367	0.7
301.79276	0.7
325.10577	0.8
326.07843	1.2
367.13919	2.4
385.18726	100.0
386.18976	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	385.1866
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
55.01872	3.0
57.03450	3.1
58.00601	1.0
59.01379	74.5
61.98841	1.1
65.89952	0.5
66.10163	0.5
69.03461	1.2
69.35045	2.6
71.01380	66.9
72.01730	1.0
72.99325	1.2
73.02949	14.7
75.00887	1.0
81.03486	0.8
83.01392	4.7
83.05032	1.2
84.02144	0.6
84.95118	1.2
85.02950	20.5
87.00890	2.1
89.02442	35.6
95.01385	4.8
95.05033	8.4
97.02937	4.3
97.06596	7.2
98.21861	1.0
99.00883	5.3
101.02443	33.9
102.02787	1.1
105.07085	2.0
107.05029	1.0
108.02177	0.6
108.05794	2.8
109.02940	0.9
109.06599	1.8
111.04523	0.8
111.08179	0.7
113.02451	25.4
113.06080	2.9
114.02785	0.8
119.03506	12.5
119.05026	1.7
121.06611	2.6
121.12342	0.5
122.03782	3.2
123.04537	5.9
123.08174	4.3
125.02437	2.2
125.06090	6.0
129.01918	0.7
131.03517	1.3
134.03716	1.0
135.08174	1.0
136.05290	4.0
137.02473	0.6
137.06111	4.0
138.06871	19.8
139.07672	10.8
143.03473	3.7
147.08136	0.8
149.02429	1.2
149.04747	0.9
149.06081	5.6
151.04089	0.9
151.07651	19.0
152.04807	1.7
152.08432	42.8
153.09212	100.0
154.09547	4.7
155.07089	1.0
159.02985	4.7
161.03192	1.0
161.04555	20.8
161.09691	1.0
163.03920	0.7
163.11258	3.2
164.04791	2.3
165.05475	0.8
165.09213	2.2
166.09691	0.5
167.07103	2.5
169.22206	0.6
175.00380	2.4
175.07857	0.6
179.05605	2.8
179.07159	2.0
181.05042	1.7
185.09659	0.8
187.11320	0.7
189.09218	1.0
189.90608	0.6
190.02716	6.8
190.10013	1.7
193.05084	0.9
203.10809	2.3
205.03233	0.8
205.05075	8.8
205.12329	29.0
206.12650	1.9
211.06143	0.9
219.10442	0.8
221.08177	0.6
223.06087	3.5
223.09856	0.7
223.13393	19.2
224.13773	1.2
225.07561	0.8
229.12474	0.7
237.07835	0.8
247.09706	0.5
255.04956	0.6
263.09464	0.6
265.07217	1.3
265.10638	0.8
269.06720	0.7
270.07364	0.8
274.84583	0.5
291.08734	0.8
323.11270	3.3
325.09207	1.1
335.11322	2.8
367.13947	38.3
368.14398	3.3
385.10724	1.2
385.14758	3.5
385.18655	9.8
386.18839	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80402	1.8
52.47508	2.1
57.03450	5.2
57.31598	2.1
59.01364	3.7
61.98832	3.5
69.03449	4.9
70.45998	5.1
74.18534	2.1
91.93626	1.8
96.99310	15.8
97.02935	4.8
99.00887	2.5
111.27443	2.0
111.65199	2.1
123.00887	2.6
124.98808	72.2
125.99574	10.0
137.99605	2.2
139.00421	2.7
140.14612	2.2
181.15982	4.4
197.19051	7.8
211.20602	2.1
214.21513	2.4
221.19113	3.2
223.20580	5.5
305.17535	10.0
321.17023	9.3
323.18631	100.0
324.18839	7.4
349.16516	6.3
367.17633	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03431	1.3
59.01379	17.6
60.01691	0.5
69.36095	1.0
69.36483	0.9
71.01378	11.8
72.72201	0.5
72.72640	0.4
72.99328	0.5
73.02943	5.7
74.81782	0.4
75.00861	0.6
83.01391	4.6
85.02955	8.0
86.00074	1.0
87.00867	1.3
89.02415	3.0
95.01387	1.3
98.22604	0.9
99.00877	1.4
101.02435	11.5
111.00890	4.2
113.02446	4.6
119.03500	1.0
129.01930	0.7
136.05290	3.2
141.01855	0.6
149.06049	0.8
161.04579	0.5
163.07658	0.8
190.20172	0.6
190.65302	0.5
191.10736	0.8
200.15086	0.4
208.10992	3.1
209.11755	0.7
223.13388	57.7
224.13701	3.9
302.21631	0.5
313.73291	0.4
340.46857	0.5
385.18658	100.0
386.19073	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89735	0.5
55.01866	2.1
57.03433	1.5
59.01379	19.1
61.98805	0.6
62.43974	0.6
70.98938	0.8
71.01381	11.9
72.99332	0.6
73.02940	6.5
75.00887	0.6
81.03471	0.4
81.98734	0.5
83.01386	5.5
85.02950	7.0
86.00098	0.7
87.00893	1.2
87.69376	0.5
89.02441	1.8
95.01357	0.8
99.00869	1.6
101.02446	11.4
106.47161	0.5
111.00868	4.5
113.02425	3.5
123.04506	1.5
125.02420	1.3
129.01997	0.6
136.05281	3.5
141.01953	0.7
146.40105	0.6
149.06064	1.6
150.06839	2.2
155.78786	0.6
161.04533	0.7
172.51140	0.5
177.09192	1.2
179.07227	1.2
207.10191	0.5
208.11023	3.2
209.11763	1.1
222.09431	0.5
222.11905	0.7
223.13397	58.8
224.13754	3.1
385.18652	100.0
386.18973	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
58.00587	1.0
59.01383	12.6
69.03456	0.8
70.27665	0.9
70.28002	1.0
71.01378	6.9
72.99309	1.6
73.02949	7.1
75.00873	11.3
81.03469	0.8
83.01412	0.9
83.05005	2.9
85.02949	2.5
87.00869	1.0
89.02428	0.8
89.06454	0.5
95.01389	1.2
95.05038	0.8
97.06589	2.0
99.00883	18.7
99.04565	0.6
101.02467	3.3
107.05009	0.8
109.02958	0.5
109.06617	2.7
111.00874	1.1
111.08160	26.1
111.85574	0.6
112.08457	0.6
113.02481	3.6
113.09740	2.8
121.02923	0.7
121.06680	0.6
123.00895	1.5
123.08184	3.4
125.02440	3.0
125.06059	0.9
125.09770	0.7
127.07668	1.3
131.17476	0.6
135.08168	1.8
137.02441	0.7
137.06058	0.7
137.09694	0.7
138.03270	1.0
139.07640	2.0
141.09258	2.8
149.06099	1.0
151.07648	2.2
153.05576	11.8
153.09218	2.1
155.07147	2.3
157.08719	3.0
161.02409	0.8
161.09694	1.1
163.11330	0.8
165.01851	0.6
165.09224	1.8
167.07100	4.0
167.10770	0.7
169.08717	5.6
171.10219	1.5
173.08180	14.7
175.07686	1.1
179.07158	2.1
179.10776	2.6
181.08725	0.7
185.08177	3.6
187.09746	20.9
193.08702	5.1
197.08186	6.7
199.09750	2.5
203.10760	1.7
205.08781	0.6
209.08171	1.3
211.09738	3.5
213.07721	1.8
215.09157	0.9
223.09750	2.4
223.13380	18.4
224.13698	0.8
225.17238	0.6
237.14944	0.6
243.13901	0.7
251.09334	1.4
269.10309	1.3
287.11340	6.5
287.16635	0.6
303.16046	0.9
305.13986	1.3
305.17404	1.0
323.14999	2.5
331.15387	2.2
341.16074	9.9
349.16574	3.5
367.17639	1.8
385.18649	100.0
386.14423	1.0
386.19003	10.0
402.94144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76554	0.4
55.01855	1.6
57.03430	1.4
59.01378	46.2
60.01684	0.4
65.24320	0.4
69.03442	0.5
69.43601	1.0
69.43983	0.9
71.01010	0.6
71.01376	8.6
71.05003	0.6
72.99298	0.9
73.02940	5.0
81.03448	0.7
83.01382	3.2
83.05015	0.5
85.02943	5.5
86.00083	1.0
87.00864	0.8
89.02450	1.9
93.03458	0.7
95.01332	0.9
97.02935	0.4
97.06565	1.6
98.21868	0.8
99.00864	1.5
101.02442	7.7
105.03376	0.5
111.00880	2.5
113.02436	2.4
119.03512	0.7
121.02975	0.5
122.03668	0.5
123.04481	0.9
123.08154	2.0
125.02390	0.7
129.01979	0.6
137.02419	2.1
141.01894	0.8
141.39392	0.4
149.02464	0.9
151.11275	0.7
159.03001	0.5
159.06630	0.9
163.07552	0.8
174.01598	0.6
179.10753	5.3
181.05064	3.0
181.12384	1.0
182.04420	0.4
205.12308	1.2
223.13382	70.5
224.13748	4.4
235.13335	0.5
243.08716	0.5
251.07097	0.4
265.14447	0.6
326.07730	0.6
356.27621	0.4
357.30756	0.4
367.14078	1.0
377.89908	0.4
385.18677	100.0
386.18991	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	385.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13161	0.4
53.57004	0.4
53.89228	0.4
59.01378	0.8
61.98827	100.0
69.78677	1.0
69.79033	0.9
70.12917	0.4
76.92826	0.4
87.22892	0.4
88.94666	0.3
98.21855	0.5
128.10770	0.5
130.08743	3.8
131.88228	0.4
163.49097	0.4
268.56497	0.4
322.20349	1.8
331.90265	0.4
338.17017	0.6
342.85611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76810	0.2
59.01364	0.4
71.42664	0.3
71.43060	0.2
72.52567	0.2
91.39204	0.2
96.02173	0.4
102.49623	0.3
106.04217	0.4
108.02168	22.4
109.02991	2.9
110.26508	0.3
116.18981	0.3
121.02931	1.3
122.03739	1.4
123.61623	0.3
135.04520	0.8
136.01654	1.5
137.02446	0.6
149.02486	0.4
150.03192	1.1
159.91791	0.3
163.03999	0.3
243.90370	0.3
256.24753	0.3
275.20132	33.9
276.20459	2.6
303.19632	100.0
304.19968	10.4
385.07019	1.3
385.24014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2382
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
53.84307	0.7
56.62133	0.9
61.28655	0.8
62.44356	0.8
69.46608	4.0
77.03963	26.2
85.94543	0.7
91.00487	0.8
93.97079	0.8
105.03458	41.5
106.24715	0.8
109.02943	3.4
110.03730	2.5
119.05045	5.6
122.23717	0.8
124.01645	3.1
125.02435	0.9
133.06612	1.5
137.02469	4.8
138.03206	6.7
142.76227	0.9
145.06635	1.1
151.04019	1.6
159.08151	1.4
166.02696	2.2
179.03503	3.9
180.04204	1.2
193.05049	0.9
293.24872	1.3
306.21973	11.9
307.22736	16.7
308.23334	1.2
313.25388	24.9
314.25769	1.8
349.23792	22.8
350.24045	2.4
357.24341	41.5
358.24673	6.3
385.23819	100.0
386.24213	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	385.2382
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
53.23130	0.6
61.98838	0.9
69.38142	2.3
73.00423	0.5
77.56106	0.6
83.66835	0.7
89.24164	0.5
103.05526	1.9
108.02135	2.8
147.04521	1.0
172.20987	0.7
174.03235	1.5
175.04002	4.7
176.04732	0.6
179.10771	0.8
187.04025	1.4
189.05531	0.6
201.05591	0.6
206.02278	0.8
217.05069	1.3
218.05855	11.8
219.06079	1.0
231.06631	8.4
232.07196	1.2
243.10272	1.3
243.90387	0.6
245.08182	3.0
245.61304	0.6
250.04839	1.4
275.20129	5.4
287.12900	1.1
303.19623	17.2
304.19989	0.8
341.21255	4.3
385.07291	2.9
385.23828	100.0
386.19675	0.8
386.24231	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	385.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
59.18906	0.5
61.98832	1.1
63.43476	0.4
73.45703	0.5
91.04016	2.0
95.58933	0.4
97.06566	0.5
99.08160	0.5
113.09719	1.4
115.07663	0.7
121.02951	0.9
127.07616	0.8
128.08443	1.3
167.14412	2.8
183.13905	2.2
195.13896	9.8
196.14137	0.5
211.13400	1.1
213.14919	0.9
242.15231	1.3
249.22365	0.8
283.22647	0.5
293.18176	0.9
293.21246	11.2
294.21573	1.0
304.90735	0.5
311.22278	100.0
312.22601	8.1
319.66190	0.5
385.26175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2739
Annotation	Viminadione B
Peak:m/z	Relative Intensity
50.27608	0.5
58.68211	0.5
59.71528	0.5
61.98816	0.8
65.00320	0.8
69.27776	1.2
69.28178	1.8
73.65620	0.5
79.05514	1.0
81.03454	43.8
82.03811	0.8
89.94932	0.5
90.66058	0.5
91.34198	0.5
93.03509	0.7
123.04520	100.0
124.04842	2.6
144.86203	0.5
154.18831	0.5
170.57428	0.5
172.05377	0.7
175.03964	1.4
176.04744	3.2
182.62509	0.6
313.21735	1.1
327.19080	0.5
377.27402	0.6
385.27484	73.6
386.27814	8.6
390.75134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2748
Annotation	Alborosin
Peak:m/z	Relative Intensity
54.04782	2.6
62.40586	2.6
70.66708	3.9
75.40762	2.9
81.03440	7.0
122.03717	6.2
135.04527	6.8
160.84746	2.8
178.72235	2.9
223.28110	3.3
301.25381	3.8
343.26404	100.0
344.26718	11.0
385.27487	69.5
386.27719	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	385.307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	9.9
69.58700	6.7
69.59085	8.3
70.92715	3.1
75.23515	3.9
96.96061	3.6
100.04062	24.0
102.05599	34.5
103.34176	3.6
117.11594	3.6
120.89964	7.3
123.00903	5.8
124.89198	4.2
130.91263	3.2
137.99519	5.2
171.92021	3.4
195.17677	3.8
216.91412	3.7
243.90425	23.9
275.89316	19.8
299.12820	6.8
320.19229	4.4
385.06946	100.0
385.23782	15.8
386.07187	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	386.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45544	1.1
53.90639	1.1
59.01365	2.0
61.98829	100.0
91.09032	1.1
157.28148	1.2
162.41426	1.1
373.24393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.1
61.98827	100.0
68.96422	0.7
70.48681	0.8
71.01357	1.0
103.41640	0.8
105.48868	0.8
114.16513	0.9
125.02377	1.3
183.69955	0.8
243.06583	1.5
305.17493	1.1
386.09976	0.8
387.10669	1.2
391.48120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10461	0.7
59.01358	0.8
61.98811	0.8
64.39657	0.7
69.12740	0.7
69.80239	2.6
76.35114	0.7
79.39001	0.8
95.01370	1.1
96.02167	3.8
98.21960	0.8
98.22464	1.4
100.50636	0.7
111.00849	1.0
123.00832	1.7
124.01662	8.8
137.06032	1.7
141.40222	0.6
151.00365	0.9
152.01140	8.4
165.01945	1.5
166.02718	2.4
173.22858	0.7
184.80255	0.7
224.00000	0.7
249.22870	0.8
293.21191	7.0
303.19360	0.7
321.20682	100.0
322.21060	11.0
343.18915	3.4
386.19489	9.9
386.24048	0.9
387.29294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90343	6.9
55.97394	8.2
58.45873	6.9
63.12400	7.9
66.63589	6.6
69.29472	37.3
71.01065	7.9
72.24339	8.1
83.89800	7.4
122.03739	31.2
256.57202	9.5
272.31195	9.9
289.21725	58.1
290.22119	9.0
317.21255	98.2
318.21506	27.0
321.20712	49.6
343.26401	100.0
344.26709	13.0
383.81732	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	387.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.7
60.17450	0.8
60.99297	6.3
68.51407	0.8
71.01374	4.7
72.99309	1.0
73.02949	0.9
75.00875	1.5
80.04241	0.8
83.05055	1.0
85.02976	3.7
87.00875	1.8
88.98805	46.3
89.02442	30.1
91.05550	0.9
93.03453	5.9
95.01368	1.7
96.02164	0.8
99.00865	1.0
101.02451	1.6
107.05051	1.0
109.02930	0.9
110.95554	0.9
111.00941	1.0
113.02451	2.9
119.05096	1.1
121.02989	2.2
121.06587	1.7
122.03746	5.1
123.00889	1.5
123.04558	1.4
124.01667	12.9
124.80714	0.9
125.02419	2.7
125.94666	0.8
130.29135	0.8
133.02940	1.6
135.04536	1.6
135.08199	4.1
137.02429	10.2
137.06100	2.0
138.03227	2.6
139.03999	4.1
139.07693	1.9
145.06654	1.1
147.04567	1.1
148.05305	1.0
148.90981	3.6
149.02431	1.9
151.04024	2.8
152.01155	1.6
153.09267	2.9
163.07649	38.5
164.08018	2.4
165.05559	2.5
165.09169	1.4
167.03508	1.6
169.01372	1.1
172.12671	0.8
175.04045	1.9
177.01938	16.3
178.02324	1.1
179.03609	1.3
179.05730	1.2
179.07106	5.6
180.07884	1.0
181.08693	12.0
192.00806	1.3
195.03183	1.0
197.08185	2.0
198.92699	1.5
207.06627	25.2
208.07001	1.3
219.02956	1.1
224.06981	2.7
225.07680	100.0
226.08037	5.4
249.06296	3.6
267.07108	4.4
297.06100	8.2
305.06500	1.2
308.92529	1.1
312.05023	0.8
327.07074	1.1
341.11023	1.1
354.73926	0.9
386.95782	7.8
387.09082	3.9
387.13135	27.5
388.13382	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	387.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	15.9
59.01371	66.4
61.98827	35.5
67.61951	11.5
71.44376	14.2
77.01461	18.5
96.95988	14.2
103.03041	23.3
104.01361	11.7
131.02586	19.1
141.01694	24.0
160.84311	14.0
167.06281	26.0
169.06013	23.2
170.88425	15.5
175.01500	30.6
190.02666	21.6
192.18048	12.9
213.05083	28.0
249.14862	16.0
313.41403	12.2
329.21234	22.3
343.18976	35.8
369.24356	100.0
387.25244	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	387.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.7
57.11367	0.4
59.01374	42.6
60.01692	0.5
70.80807	0.5
71.01369	4.2
73.02940	0.9
81.03453	1.2
83.01379	3.5
85.02956	1.6
89.02440	2.3
95.01371	0.7
95.04989	0.4
96.96012	9.5
97.02945	1.6
98.95589	0.4
99.00875	0.7
101.02443	2.8
109.02943	0.7
113.02439	1.7
119.03461	0.8
119.04979	0.8
121.02932	0.9
122.03719	1.2
123.00874	0.5
123.04512	4.4
124.01649	2.3
125.02438	100.0
126.02754	3.1
134.03822	0.5
135.08200	0.9
137.02452	1.4
137.06081	3.1
138.03218	1.2
139.00478	0.4
139.04004	1.5
143.03474	0.4
149.02434	11.5
149.06073	1.0
151.04008	4.1
153.05492	0.4
161.04552	2.3
161.09702	0.5
163.03987	0.8
163.07626	8.0
163.11281	4.1
164.04839	0.5
165.01894	1.0
165.05565	6.6
165.09152	0.6
166.06355	5.2
167.03491	2.3
168.00533	0.4
177.01935	1.7
179.03476	1.1
179.07118	1.4
179.34268	0.4
181.05103	2.3
181.08691	3.0
183.02966	1.1
191.03452	0.5
192.04243	1.1
207.06639	7.4
207.10204	0.8
207.93529	0.4
209.04501	0.7
218.19902	0.4
223.09724	0.9
224.10117	0.7
225.04391	6.4
225.07663	64.6
226.08028	3.5
287.07623	2.7
305.06595	1.4
327.14417	0.9
387.08945	1.4
387.13058	15.2
387.16675	7.3
388.13303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01068	0.4
59.01374	6.1
68.99831	0.4
69.03440	0.5
70.29311	0.6
71.01378	4.6
72.99306	0.8
73.02943	0.9
75.00858	1.6
81.03455	0.3
83.01385	0.5
85.02940	3.1
87.00869	0.5
88.59937	0.3
89.02438	1.5
93.03456	45.5
94.03794	1.2
95.01398	0.7
96.96011	0.3
99.00891	1.4
101.02439	2.0
113.02442	2.9
119.03525	0.3
125.02465	0.8
137.02441	100.0
138.02771	3.3
143.03456	0.3
145.70729	0.3
149.99576	2.9
151.00345	0.4
153.01932	0.8
161.04579	0.9
165.09200	0.4
168.04167	0.6
175.02412	0.3
180.22502	0.3
197.27132	0.3
207.13725	0.4
214.93655	0.3
217.16199	0.3
233.54544	0.3
249.06142	18.7
250.06517	0.9
267.07214	0.3
311.99100	0.3
355.06644	3.8
355.95929	0.4
369.14648	0.4
369.19055	0.6
387.09140	5.4
387.20529	0.7
388.09790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.1
59.01379	21.9
60.01710	0.3
61.70913	0.3
71.01385	3.3
73.02964	0.7
77.82343	0.3
79.95781	0.4
80.05863	0.3
81.03446	1.6
83.01385	3.6
85.02950	0.6
89.02445	2.2
93.03445	0.4
95.01425	0.3
95.05029	0.7
96.96013	6.0
97.02938	2.1
99.00870	0.8
101.02465	2.2
109.02969	0.4
113.02475	1.4
116.92875	0.3
119.03508	0.9
119.05034	0.8
120.77621	0.3
121.02892	0.7
122.03749	1.2
123.00884	0.8
123.04533	3.6
124.01650	2.0
125.02448	100.0
126.02809	3.1
134.03757	0.8
135.08176	0.8
137.02463	1.2
137.06094	2.7
138.03192	0.9
139.00330	0.4
139.04027	2.4
149.02441	10.9
149.06026	0.4
150.02829	0.5
151.04018	2.4
153.05571	0.4
153.09206	0.5
161.04578	1.0
163.03966	0.8
163.07648	7.0
163.11282	3.4
164.08011	0.4
165.01924	0.4
165.05559	4.2
165.09151	0.4
166.06363	2.8
167.03500	1.8
169.01431	0.4
177.01901	1.1
179.03531	0.8
179.07144	0.9
181.05042	2.0
181.08701	2.7
183.02933	0.4
192.04297	1.1
207.02954	0.3
207.06647	6.6
207.10262	1.0
208.07033	0.6
209.08208	0.4
224.06841	0.5
224.10158	0.6
225.04311	7.0
225.07680	41.6
226.08026	2.4
287.07721	2.3
294.88812	0.5
296.53641	0.3
305.06570	0.9
327.14584	0.5
387.08942	2.4
387.13065	10.1
387.16690	7.7
388.17017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01380	65.4
69.65571	2.3
69.65926	2.3
71.01382	41.4
73.02950	1.5
75.00886	1.0
83.01379	1.9
85.02942	5.5
87.00879	1.6
89.02444	53.5
90.02773	1.4
95.01429	1.6
101.02444	16.9
113.02448	17.6
119.03497	17.0
123.04470	2.8
124.01656	1.7
125.02405	1.3
131.03508	1.8
137.02464	2.7
138.03250	1.4
143.03508	2.3
149.04529	1.9
161.04564	4.6
163.07639	1.5
165.05579	3.8
179.05606	18.5
179.07095	2.0
180.07407	1.3
341.10873	100.0
342.11334	6.4
361.40561	1.3
386.41904	1.1
387.09280	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	387.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
69.59971	19.5
71.15941	32.3
107.01389	30.2
139.93832	24.5
177.19868	19.7
183.09158	23.4
189.45103	24.2
191.01021	22.8
192.50848	22.4
213.15308	22.1
404.94220	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	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84295	0.4
59.01371	0.5
61.60202	0.4
69.11485	1.4
69.11903	1.4
73.02498	0.4
83.05005	0.9
86.81781	0.4
90.65245	0.4
95.74389	0.4
97.02989	0.6
109.03012	0.6
121.02992	1.9
121.06590	1.2
122.03721	4.7
124.00832	0.8
124.01665	10.8
125.02457	0.5
125.09720	1.1
134.03712	0.4
135.04524	0.5
135.08173	4.1
136.01654	0.6
137.02483	1.0
137.06078	1.9
137.09753	0.7
138.03209	2.2
139.07634	1.1
145.06561	0.9
151.04008	1.5
151.07631	0.6
153.09200	2.2
161.06061	0.8
162.06805	0.6
163.07648	36.7
164.07991	1.8
165.05521	1.3
166.06281	0.4
168.67172	0.4
179.07152	5.0
180.07742	0.8
181.08696	12.5
182.08954	0.5
183.06606	0.8
197.08130	1.2
207.06631	22.7
208.06960	1.4
224.06876	2.4
225.07677	100.0
225.96342	0.4
226.07991	4.4
257.48297	0.4
387.12949	31.0
388.13364	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03443	0.6
59.01353	1.6
70.80407	0.7
70.94164	0.5
71.04406	0.4
81.03477	0.5
83.01399	0.5
83.05013	1.2
83.15691	0.4
89.02429	0.4
93.03436	0.8
95.01379	0.5
97.02914	0.9
107.05011	0.9
108.02192	0.7
109.02913	0.8
109.06590	0.9
110.03802	0.5
111.08136	0.7
121.02991	2.3
121.03717	0.4
121.06571	1.5
122.03735	5.4
123.00874	0.6
123.04460	0.4
124.01656	12.2
125.02453	1.0
125.09650	0.5
133.61940	0.4
134.03763	0.5
135.04485	0.8
135.08154	5.7
136.01534	0.4
137.02400	1.0
137.06055	2.7
137.09718	0.7
138.03244	2.6
139.07632	2.0
145.06577	1.3
148.05298	0.4
148.33292	0.4
149.02420	0.5
151.03969	1.2
151.07532	0.5
152.04726	0.5
153.09186	2.7
161.06119	1.2
162.06836	0.8
163.07645	47.3
164.07970	2.2
165.05583	0.9
170.31232	0.4
177.01891	0.6
179.07124	5.4
180.07794	0.7
181.08693	14.1
182.09038	0.4
183.06607	0.5
189.05679	0.6
197.08189	1.2
207.06613	28.6
208.06978	1.4
223.06244	0.6
224.06825	3.1
225.07669	100.0
226.07979	4.4
229.60896	0.4
374.94470	0.5
387.12936	21.7
388.13208	1.9
400.71317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1296
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
56.48846	0.4
57.03448	1.1
59.01378	5.3
62.12448	0.4
66.11313	0.4
71.01384	6.3
73.02937	1.5
74.16946	0.4
83.01368	0.7
85.02948	2.2
89.02454	2.7
95.01409	0.7
96.96013	0.7
99.00899	0.7
101.02445	3.3
109.02978	0.6
113.02466	2.8
118.07176	0.4
119.03500	1.1
121.02951	0.6
122.03753	0.7
123.04548	2.3
124.01713	0.9
125.02454	3.6
137.02461	2.4
138.03195	1.4
139.00348	0.4
139.03989	0.9
151.04004	54.5
152.04396	1.9
153.05536	0.7
155.03464	0.4
161.02481	0.7
161.04593	2.4
165.09160	0.7
166.06348	51.6
167.06676	2.0
168.00632	0.9
177.01938	2.8
179.03539	0.4
181.08708	8.0
183.02988	1.6
183.41464	0.4
192.04268	3.5
207.06619	6.4
207.10286	0.9
209.08118	0.7
210.05338	24.2
211.05661	1.0
225.07675	100.0
225.11320	3.5
226.08011	6.0
332.58041	0.4
387.12802	6.8
387.20407	2.6
388.13007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1317
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
57.03435	1.1
59.01379	69.8
69.13272	0.8
71.01384	12.1
73.02954	1.2
75.00906	0.7
79.95733	4.8
83.01400	1.1
85.02935	3.3
89.02436	10.9
95.01391	0.8
95.95244	1.0
96.50446	0.8
96.96010	100.0
101.02448	7.1
105.80046	0.8
113.02493	3.5
119.03507	4.5
123.04507	4.4
125.02446	10.3
138.03194	1.1
149.02403	1.4
149.06033	0.9
151.04028	2.8
153.01950	2.3
161.04526	0.8
163.07634	1.5
163.11285	27.6
164.04791	0.8
164.11603	1.1
165.05560	5.1
166.06311	3.7
179.05644	0.8
183.03058	1.7
191.03108	0.7
207.07048	8.7
208.07195	0.7
225.07729	33.7
226.08011	1.8
235.13414	0.8
267.08917	0.8
335.60400	0.8
380.51990	0.9
387.13242	97.8
387.16898	40.4
388.12704	6.6
388.17142	4.8
406.29941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.0
59.01377	75.2
60.01699	1.1
63.24113	0.7
69.23587	4.7
71.01382	15.2
73.02960	1.1
81.03442	0.9
83.01363	4.3
85.02943	3.6
87.00877	0.8
89.02440	14.0
92.83398	0.7
95.01379	2.1
97.02940	1.7
101.02443	8.8
113.02441	5.6
119.03512	4.7
119.57258	0.7
121.02962	1.1
123.00889	1.7
123.04504	2.3
124.01632	3.6
125.02441	99.9
126.02766	3.2
133.98209	0.8
134.03696	1.5
137.02458	1.0
137.06085	1.5
138.03201	1.5
139.03990	1.5
144.09846	0.7
149.02440	10.1
149.06059	1.8
150.03127	1.3
151.03993	7.9
153.05534	0.8
154.02742	0.8
161.04510	0.8
163.03993	1.0
163.07646	10.4
163.11281	24.0
164.04785	1.0
164.11682	1.1
165.05545	12.7
165.09120	0.9
166.06355	9.8
167.03500	1.4
177.01851	3.5
179.07111	0.9
181.05077	3.2
181.08682	3.8
183.02975	1.2
187.04366	0.6
191.03513	1.3
192.04282	5.3
193.16203	0.7
197.30017	0.8
207.06638	19.4
207.09943	0.9
225.04079	6.3
225.07674	100.0
226.08035	5.4
287.07745	2.7
302.44913	0.8
387.16687	78.6
388.17053	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	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01878	0.7
56.41399	0.5
58.00601	0.5
59.01378	78.5
60.01702	0.8
71.01381	16.4
73.02948	1.7
75.00852	3.6
78.95907	1.0
83.01393	1.4
85.02941	3.6
87.00898	0.6
89.02445	15.2
90.02776	0.5
91.72096	0.5
95.01383	1.3
96.96001	4.0
96.96937	2.5
101.02440	10.7
107.68072	0.5
113.02441	5.2
119.03493	4.9
123.04531	1.2
125.02447	0.8
137.02489	1.2
147.04512	0.5
163.11290	4.3
168.04298	0.6
180.35626	0.5
191.03506	1.4
207.10257	11.0
208.10591	0.9
225.07649	0.8
225.11342	0.9
237.12373	0.7
249.00807	0.6
311.07718	0.6
327.10913	1.1
345.11865	2.3
387.16571	100.0
388.16821	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	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27529	0.5
55.01888	1.1
57.03445	1.5
58.00600	0.6
59.01382	100.0
60.01702	1.1
66.92606	0.4
71.01383	19.3
71.44328	0.5
72.99304	0.7
73.02946	2.0
77.05379	0.4
81.03463	0.5
83.01408	1.4
85.02956	4.5
87.00888	0.6
89.02448	16.5
90.28376	0.5
95.01403	1.3
95.05079	0.5
95.43364	0.4
96.94320	0.5
96.96016	4.2
99.00875	0.6
99.04516	0.5
101.02449	10.5
109.06609	0.5
113.02443	5.6
118.79295	0.5
119.03497	7.1
120.73724	0.5
124.01669	1.2
125.02464	3.0
137.02466	1.0
138.03242	0.6
143.03528	0.7
147.08156	0.6
149.06104	0.7
149.95016	0.5
161.02509	0.7
161.04539	2.5
163.07642	1.4
163.11287	13.9
164.08417	3.3
165.09177	1.9
166.06271	0.4
167.03508	0.9
168.00604	0.7
177.01924	0.9
179.05551	1.1
179.07071	0.8
181.08687	0.5
183.03067	0.8
205.96208	0.5
207.06683	0.7
207.10248	3.7
208.10634	0.5
210.05304	0.5
225.07791	3.2
225.11275	4.2
328.15332	0.6
387.16617	95.6
388.16980	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.83023	0.5
57.03445	0.7
59.01379	17.4
68.83353	0.4
69.48966	2.0
71.01376	7.7
72.99293	0.7
73.02943	2.8
81.03406	0.5
83.01377	0.8
83.05024	1.4
85.02959	3.2
87.00868	0.8
89.02432	6.3
91.98399	0.4
95.05025	2.7
98.22543	0.7
99.00843	0.6
99.04539	1.0
101.02438	4.6
101.46770	0.4
107.04990	0.6
109.06579	1.0
113.02450	4.3
119.03521	1.6
121.39404	0.5
123.04540	1.1
125.02461	0.8
125.06100	0.6
137.02429	0.5
157.08794	0.5
161.04546	1.6
163.11298	11.8
165.09201	0.8
179.05678	0.7
181.12338	26.2
182.12643	1.5
199.04036	0.6
205.12296	1.5
207.10258	1.9
217.05113	0.7
223.13400	0.6
225.05602	3.9
225.11317	100.0
226.11635	6.3
243.12367	0.6
249.11212	3.1
267.12369	2.2
289.07214	1.0
327.14438	0.5
387.11505	0.7
387.16110	0.8
387.20065	1.5
387.23965	2.8
392.46436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	83.7
60.01719	0.7
71.01380	14.3
71.01774	0.8
71.29156	0.6
71.32595	0.5
73.02950	0.8
83.01416	1.0
85.02959	3.4
89.02441	14.2
93.03452	1.0
95.01395	1.7
95.05073	0.6
98.97240	0.6
101.02439	8.8
109.02950	1.0
113.02446	5.3
119.03479	5.7
123.04520	4.3
125.02448	2.7
137.02478	1.9
143.03561	1.0
147.08212	1.3
149.04434	0.6
153.01962	1.4
163.11288	41.0
164.11667	1.7
190.02678	0.7
205.04994	0.8
207.10257	1.3
225.07625	3.4
225.11281	0.9
281.26108	0.6
320.82913	0.6
327.14349	0.6
369.15259	0.9
387.16611	100.0
388.16946	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	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68058	0.7
55.01865	1.0
57.03445	1.3
59.01377	15.1
70.99590	0.6
71.01379	12.8
72.99313	1.5
73.02927	1.5
81.03441	0.9
83.01378	3.9
85.02953	2.0
87.00874	19.3
89.02421	0.7
90.81399	0.7
94.26231	0.6
95.05030	1.5
97.02962	1.8
99.00863	3.1
101.02428	1.4
109.02948	6.6
111.00858	3.3
113.02418	1.4
115.00370	58.3
120.59418	0.6
121.02972	0.9
122.03805	1.0
123.02859	0.7
123.04536	4.4
125.02453	5.2
128.04994	0.8
137.02454	2.0
139.00375	5.8
146.03740	0.7
146.06123	7.9
149.02374	1.7
151.04001	3.0
156.04549	1.8
157.01414	10.7
159.04489	0.9
161.06084	0.9
165.01886	1.2
175.02475	100.0
176.02817	2.0
179.03531	1.6
183.13951	0.7
187.03989	1.4
188.04616	1.0
202.04971	3.1
203.07129	4.1
205.05034	3.3
207.13936	0.8
211.13387	1.7
221.08243	1.0
225.11243	0.8
225.14958	1.9
227.07004	0.7
235.13448	1.5
237.14984	1.2
239.12886	0.7
241.14496	4.4
245.08183	5.4
246.08450	0.7
247.05974	1.1
253.14317	1.6
261.14954	2.9
269.13849	7.4
279.16193	0.9
281.17703	0.8
283.08432	0.9
287.15082	5.0
289.07190	24.3
289.14450	1.9
290.07657	2.2
307.15512	8.5
325.16568	1.0
327.14484	6.9
328.08249	1.4
328.15033	0.7
343.12085	3.5
346.09171	1.3
349.18658	0.9
351.14368	0.9
387.14078	11.2
387.24048	1.1
388.10413	4.8
388.14648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2178
Annotation	Tanghinigenin
Peak:m/z	Relative Intensity
56.71194	1.2
58.59969	1.3
59.01377	3.5
61.09487	1.2
69.92241	3.5
70.42633	1.4
71.12060	1.4
78.01112	2.1
87.00086	1.5
93.03458	2.3
95.05047	3.3
119.05033	4.3
121.02909	1.6
134.03807	1.4
139.92769	1.4
141.01712	2.3
145.02950	3.6
149.02408	13.5
158.07382	1.5
159.04524	4.0
160.05267	2.1
161.06152	1.7
163.03995	2.5
173.02426	2.4
173.06044	4.5
174.03236	1.7
174.06911	2.2
175.03978	1.6
175.07637	1.9
178.06229	2.1
179.18121	2.4
187.04021	2.4
187.07678	1.5
188.04790	3.6
189.01945	3.9
195.17444	1.4
201.05507	2.7
202.06326	3.3
203.03526	1.7
206.02222	2.3
219.17543	6.5
258.19775	2.2
265.18048	2.3
271.24301	2.6
286.19290	1.8
287.23703	6.5
291.23337	3.1
297.04648	13.4
299.23776	6.1
315.19589	1.8
315.23257	29.2
316.23566	2.1
318.18652	1.4
319.22726	24.6
327.69534	1.3
331.22720	5.9
331.26328	1.4
336.59381	1.4
343.22745	35.4
344.22992	2.6
359.22293	32.4
360.22491	4.4
379.29861	1.4
387.21759	100.0
388.22095	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	387.2539
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
51.64041	4.9
53.50115	4.8
53.82771	4.6
71.42767	5.2
138.03229	8.0
179.03561	4.8
207.48872	5.8
254.23976	5.2
267.36264	5.3
345.26770	6.2
387.25015	100.0
387.29074	22.7
388.25452	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	387.2542
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
50.23130	0.7
52.04142	0.6
57.03435	1.8
59.01391	1.3
62.49931	0.6
65.00308	1.9
70.67957	1.0
79.05558	0.7
81.03453	53.0
82.03803	0.8
83.01396	1.6
97.06612	0.7
97.45058	0.6
107.01392	1.2
110.18728	0.6
122.03758	3.6
122.64331	0.6
123.04523	96.9
124.01713	0.9
124.04849	2.6
125.02450	8.8
135.04529	1.7
151.00366	1.9
151.03934	1.2
165.09322	0.6
165.52629	0.6
301.25412	1.8
303.23328	3.9
305.21252	2.6
306.22055	3.9
307.22803	4.5
318.22028	3.5
322.21024	2.0
343.26389	38.3
343.73666	0.7
344.26660	4.4
349.23810	8.3
351.24438	1.4
369.24307	1.2
387.25342	100.0
387.29224	61.8
388.25653	12.0
388.29556	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	387.2901
Annotation	(2E,6S)- 6-[(1R,3aS,5Z,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-Decahydro-9-hydroxy-3a,6,10-trimethyl-1-cyclopentacycloundecenyl]-2-methyl-2-heptenoic acid
Peak:m/z	Relative Intensity
52.14837	1.4
55.28548	1.5
59.01380	1.8
70.53385	1.6
70.53725	2.7
76.53936	1.4
81.03454	38.8
92.83544	1.4
99.14011	1.6
107.05025	2.0
123.04520	94.8
123.75714	1.5
124.04840	2.7
125.02409	1.9
135.04506	2.2
307.22510	1.9
318.22052	8.0
330.22205	1.9
343.26300	9.3
345.42746	1.6
349.23981	4.1
387.25067	19.6
387.28983	100.0
388.29514	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	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.98828	100.0
66.15768	0.9
70.03067	1.6
70.03407	1.5
85.12392	0.9
91.92041	0.8
133.88419	0.9
165.97485	1.0
194.12161	1.0
214.71358	1.0
224.64229	0.8
389.18726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30433	1.7
61.98823	4.6
69.44321	7.2
81.03450	11.4
116.51251	1.6
116.92760	1.6
123.04498	4.9
125.02438	4.1
151.00401	2.2
152.01108	2.3
201.62015	1.9
247.20718	2.1
249.18608	5.1
271.31677	2.0
271.35345	2.0
289.21768	15.0
319.19107	5.9
329.24805	5.5
333.20682	100.0
334.20987	9.5
345.24203	4.3
347.21835	2.3
347.25961	8.4
388.25729	2.7
389.23129	6.0
389.27628	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	388.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91161	3.2
69.96872	4.0
69.97223	7.8
81.03447	26.5
87.47035	2.9
110.17001	2.5
137.06082	98.0
138.06395	6.5
138.29938	2.9
157.70477	2.9
169.65466	3.0
240.31216	3.0
252.02982	2.9
345.24341	100.0
346.24603	8.8
347.25546	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14698	5.5
53.23311	5.5
56.79818	5.9
59.01371	15.3
60.81143	6.5
61.98829	14.2
68.53893	6.1
81.03452	19.8
82.03780	10.8
84.15143	5.6
90.73119	5.3
97.03046	5.5
100.85500	6.7
108.02155	15.1
111.38838	5.8
121.02964	7.1
121.26396	6.5
122.03716	33.8
123.04530	61.5
124.01676	8.1
124.04845	20.2
137.02467	10.7
137.06079	33.6
138.03157	7.6
165.01868	9.2
179.25827	5.9
180.45004	7.4
275.20020	31.3
296.55954	7.0
303.19647	100.0
304.20364	59.5
345.24301	44.6
388.17410	9.3
388.29327	18.2
389.23035	45.5
389.26630	7.9
389.27539	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	388.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88962	4.2
69.72159	18.1
122.21290	4.1
152.81841	5.3
165.43332	4.4
181.92406	5.0
277.18631	5.0
303.23297	100.0
304.23624	11.2
321.20462	9.0
343.66183	5.8
345.24310	62.7
389.23383	14.9
400.95807	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	388.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.3
59.01365	11.6
59.77592	5.7
61.98830	11.5
69.56380	18.3
69.56794	13.3
107.01006	5.5
160.84166	14.3
345.24298	100.0
346.24463	13.5
376.67899	5.9
389.26917	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	388.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	61.7
61.98817	100.0
81.52247	40.7
107.58363	41.0
192.94789	41.0
331.84183	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	388.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75932	62.7
54.91283	56.4
65.05314	55.0
69.26019	49.1
71.44086	67.9
96.68951	56.6
345.27911	100.0
352.17352	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35449	0.1
55.01880	0.2
57.42777	0.1
59.01367	1.1
61.98824	100.0
70.74303	0.1
71.01391	0.5
75.00881	0.2
79.05524	0.4
79.11990	0.1
82.95408	5.0
85.02959	0.1
86.07166	0.1
87.00834	0.1
89.02437	0.2
93.03481	0.2
97.43243	0.1
108.02155	0.4
109.02933	0.1
113.02460	0.4
113.26687	0.1
122.03749	0.5
123.00950	0.1
123.04517	6.8
124.01617	0.1
124.04861	0.2
125.02465	0.3
125.06065	0.3
127.76196	0.1
131.22696	0.1
135.04497	0.4
137.02435	0.5
137.06061	0.2
138.03253	0.1
139.04050	0.3
147.04523	0.2
149.06070	0.5
151.03966	0.4
153.01953	0.2
153.05533	0.2
154.72386	0.1
163.07619	0.4
165.05580	0.7
165.08138	0.1
166.02629	0.3
167.03481	18.3
168.03853	0.6
179.03465	0.2
179.07109	0.2
181.05051	1.1
191.03484	2.8
192.00751	0.2
192.03926	0.1
209.04530	2.2
211.02475	0.3
225.07660	0.9
226.08069	0.7
227.05911	0.2
227.08240	1.0
235.71225	0.1
249.06215	0.2
251.06337	0.2
267.50876	0.1
269.06754	0.5
299.04456	0.2
329.08652	0.6
389.09930	0.5
389.13663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1242
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
51.02343	0.1
52.94405	0.1
55.82885	0.1
59.01377	3.3
61.98824	0.2
65.03945	0.1
69.28520	0.1
69.33115	0.5
71.01381	0.7
73.02936	0.3
83.92242	0.1
85.02943	0.4
87.00904	0.1
89.02451	0.6
93.03450	0.2
96.96016	0.2
101.02412	0.5
107.05015	0.2
113.02463	0.2
117.03456	0.5
119.03548	0.2
119.05045	0.6
121.02918	0.1
141.07092	1.1
143.05026	7.6
144.05347	0.3
145.02937	0.4
151.00391	0.2
157.06584	1.6
159.08145	2.2
161.04553	0.3
178.99844	0.2
181.06615	1.0
182.07350	1.3
183.04543	0.2
183.08139	3.0
184.05226	0.3
184.08514	0.1
185.06076	12.1
185.59845	0.1
186.06386	0.6
200.98123	0.1
210.81424	0.1
212.04877	0.1
225.05591	1.4
227.07127	100.0
228.07468	6.9
269.04626	0.3
277.13019	0.1
307.00995	0.1
314.04932	0.1
371.17050	0.6
388.99457	0.3
389.12381	1.3
389.17575	0.2
389.22162	0.2
390.12570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1243
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
59.01379	5.8
70.85572	0.3
71.01381	3.0
72.40450	0.2
73.02935	1.1
83.01377	0.4
85.02944	1.2
87.00896	0.3
89.02443	1.6
99.00884	0.4
101.02438	2.2
107.05042	0.5
107.99113	0.2
113.02467	1.1
115.96953	0.2
117.03426	0.3
119.03481	0.7
119.05025	0.6
138.17757	0.2
141.07085	0.8
143.05020	7.1
157.06572	1.0
159.08138	2.0
161.04555	1.0
167.04988	0.3
179.05693	0.3
181.06607	0.8
182.07321	1.0
183.08153	3.3
184.08400	0.3
185.06073	12.5
185.11823	0.7
186.06427	0.9
200.90269	0.2
225.05569	0.6
227.07127	100.0
228.07466	7.1
303.18021	0.4
329.16095	0.4
347.16974	0.9
389.12408	1.0
389.17966	1.9
389.21808	1.0
389.25720	0.8
390.18030	0.3
404.48135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07353	42.2
58.61623	37.4
58.99080	35.9
61.98830	82.8
64.71712	35.6
69.51649	100.0
69.52056	71.5
81.73442	36.4
98.21854	40.8
111.29337	41.3
128.70905	37.3
269.30695	40.3
409.87210	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	389.1814
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01379	7.7
59.41862	0.8
61.98817	2.6
69.19968	4.4
71.01376	2.9
72.99303	3.6
73.02921	0.9
80.02654	1.2
85.02944	0.8
87.00893	4.0
89.02414	1.5
96.02139	0.8
97.93872	0.7
101.02416	1.8
109.10208	0.7
113.02457	1.0
123.00864	4.4
124.01694	3.5
127.82629	0.6
165.12840	17.4
166.13200	1.4
167.10745	0.9
169.12349	1.1
170.62305	0.6
193.12311	3.0
201.20795	0.6
209.11815	61.4
210.12138	3.5
223.52705	0.8
227.12868	9.7
229.55293	0.7
230.71428	0.7
251.12796	0.7
269.13608	1.1
288.44968	0.6
306.90250	0.7
368.32901	0.8
389.18121	100.0
390.18463	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03446	5.1
59.01376	100.0
60.01706	1.4
61.01807	0.5
61.98836	1.6
68.62022	0.4
69.88538	0.4
71.01377	11.4
71.05022	2.5
71.06806	0.6
72.99317	1.2
73.02936	3.4
81.76733	0.3
83.01407	1.7
85.02953	3.9
85.06598	0.8
87.00890	0.7
87.08183	0.7
89.02449	4.0
95.01407	0.6
95.05064	0.4
97.02922	0.5
99.00878	1.5
99.04498	0.4
101.02438	5.3
107.05034	2.2
109.06590	12.1
113.02451	3.7
113.06108	1.7
115.04041	0.4
115.07645	9.2
119.03519	1.4
121.03013	0.4
124.98763	0.5
125.02427	0.6
134.03746	0.4
137.02475	0.5
139.00394	1.1
143.10849	0.9
150.03285	0.5
153.01985	0.5
154.02736	0.8
161.04558	3.4
165.05595	0.9
167.10768	23.9
168.11139	1.2
169.01474	0.6
169.05066	1.0
183.10333	0.6
185.11803	2.1
203.05577	0.6
209.04602	0.5
209.11847	1.6
227.05656	1.2
227.09245	0.9
249.74557	0.4
277.12784	0.6
295.11084	0.6
329.16168	0.5
381.82077	0.4
389.10599	0.8
389.17752	14.1
390.17798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02393	0.3
69.26495	2.0
73.51780	0.3
109.02943	0.6
110.03735	3.4
125.02440	1.2
137.02438	1.1
138.03223	5.4
147.67719	0.3
158.93465	0.3
165.52682	0.4
166.02675	3.2
179.03493	0.6
180.04247	1.6
189.17661	0.4
190.23949	0.3
198.01657	0.5
198.25793	0.3
279.19632	4.8
280.20215	0.5
292.34909	0.4
300.86520	0.4
307.19119	100.0
308.19424	8.9
324.00256	0.4
333.20636	0.9
390.11148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1967
Annotation	Picrasin D
Peak:m/z	Relative Intensity
52.50221	0.6
59.01376	1.7
61.98804	2.0
65.00317	0.8
69.54528	2.7
72.57310	0.6
72.99316	0.8
73.16991	0.7
79.43987	0.6
81.03439	0.9
83.01393	4.7
93.03443	1.5
94.92528	0.7
97.02949	1.4
109.02934	2.7
110.03699	1.1
121.02885	0.8
123.00859	2.0
123.04540	4.1
124.01617	1.8
127.04039	0.9
134.03755	0.9
136.01666	1.0
136.05266	1.9
137.02441	21.4
137.06078	1.2
138.03195	1.1
139.03986	2.7
148.05339	0.9
149.02408	1.4
149.05943	0.8
150.03229	1.5
151.00333	1.4
151.04001	4.3
161.02303	1.2
162.03239	1.7
163.03976	1.2
164.01151	1.3
164.04813	4.0
165.01884	2.7
166.02675	1.4
175.03976	3.0
176.04738	2.5
179.03484	3.0
186.03131	1.1
189.01921	0.7
190.02696	2.6
192.04312	1.4
195.17496	0.8
204.04216	1.1
206.05988	0.8
209.15532	0.7
213.49213	0.7
215.18002	1.2
259.57599	1.0
273.22153	1.2
277.18048	2.8
277.21600	1.5
278.18756	1.4
289.21811	2.1
293.17557	3.9
299.20111	3.4
301.21646	1.8
305.17578	34.7
305.20996	2.3
306.17978	4.4
317.21265	6.9
317.24658	1.2
319.22717	1.1
324.46826	0.6
327.19705	3.9
333.20624	2.8
338.17218	1.3
343.19135	1.6
344.19785	1.0
345.20682	17.4
345.24380	3.5
346.20862	2.2
346.24545	0.9
347.21915	1.4
347.25879	1.2
361.20187	5.4
362.20334	0.9
389.19617	100.0
390.10141	1.2
390.20084	11.8
390.25006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.3
66.29169	0.3
77.12444	0.3
119.90158	0.4
122.03754	0.3
137.02458	0.4
138.03227	1.2
139.04025	1.6
165.01932	0.4
165.05600	0.4
166.02702	2.0
167.03487	6.6
168.04120	0.3
179.03485	2.0
180.04230	1.0
181.05058	1.2
191.07097	1.4
191.10796	1.2
193.05081	0.7
194.05815	0.5
198.01831	0.5
205.08609	0.4
219.10294	4.1
222.09023	0.4
235.09799	0.5
236.10530	1.6
237.11273	3.7
245.15370	0.3
263.16522	1.3
273.14984	1.0
290.15070	0.5
291.16016	15.4
292.16391	1.0
303.05347	0.3
303.19644	0.5
305.21219	0.7
331.19122	8.8
332.19904	100.0
333.20251	9.3
333.24243	0.6
347.26208	0.3
374.20959	10.5
375.21252	1.1
389.23309	11.6
390.10101	0.4
390.23642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.7
78.77406	0.4
136.26839	0.5
138.03218	0.7
139.03996	3.0
150.03317	1.0
151.04015	0.5
165.01855	0.8
166.02705	1.6
167.03499	10.6
168.04282	0.8
179.03458	4.0
180.25313	0.4
181.05000	0.9
198.01660	0.5
203.43697	0.4
205.08722	1.3
223.09790	1.3
289.14389	1.0
303.15994	2.5
303.19528	0.8
305.17426	0.9
331.19128	14.1
332.19913	100.0
333.20282	8.4
345.20743	2.0
374.20990	11.2
375.21277	0.9
389.19382	2.0
389.23499	13.4
390.23734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2332
Annotation	5-trans Latanoprost(free acid)
Peak:m/z	Relative Intensity
66.85835	0.6
71.44160	0.8
73.57404	0.6
75.73610	0.6
109.02920	0.6
121.02972	0.7
123.00913	1.2
128.00452	0.6
135.04515	0.8
137.02443	2.3
149.02426	1.0
149.06073	1.4
163.03979	1.9
165.01892	2.1
175.04065	1.0
176.04776	1.1
177.05559	14.3
178.06000	1.1
187.04057	0.9
189.05643	0.9
191.07152	2.1
202.06485	0.9
204.04427	0.8
205.05101	2.0
219.06618	1.2
240.46089	0.7
277.18149	2.0
299.23865	2.0
303.19525	2.0
317.17752	0.8
317.21274	1.8
317.24857	1.8
318.22116	1.4
327.23288	1.0
333.24393	2.3
343.22708	2.8
345.20688	5.0
346.21423	1.2
347.25885	1.6
361.23743	3.7
368.23447	0.7
371.22232	3.1
389.23325	100.0
390.23663	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	389.2331
Annotation	3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate
Peak:m/z	Relative Intensity
59.01377	3.5
61.98852	0.5
65.00329	2.0
69.43320	2.1
76.18064	0.4
78.60651	0.4
81.03477	0.7
89.00335	0.5
91.01826	0.5
95.01396	0.4
97.02956	1.8
100.59511	0.5
109.02940	6.5
110.03739	1.9
121.02972	0.9
122.03774	0.7
123.00938	0.7
123.04544	0.6
124.01660	5.4
134.03743	0.6
137.02434	15.1
137.06078	1.4
138.03238	7.8
139.04024	3.3
150.03317	0.7
151.04021	5.7
152.01175	1.0
165.01906	4.5
165.05583	0.7
173.46399	0.5
179.07117	0.6
193.08688	1.4
207.10286	1.9
227.27757	0.5
249.18700	0.8
261.14944	1.4
261.22253	0.5
275.16467	1.2
275.20178	0.5
287.20221	0.6
293.17419	0.6
300.24579	0.5
301.21753	0.7
303.19608	1.7
303.23041	0.8
304.20416	100.0
305.21069	33.3
306.21548	2.4
329.21219	1.0
346.21381	3.0
346.24219	0.7
346.25027	1.1
347.22070	3.6
389.23282	52.1
390.23627	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	389.2331
Annotation	Sugikurojin D
Peak:m/z	Relative Intensity
51.37110	0.5
55.90917	0.5
59.01384	1.1
61.98830	1.3
62.36459	0.5
65.00343	0.5
65.11002	0.5
69.38122	2.1
75.40662	0.5
76.54475	0.7
79.05524	0.8
81.03452	25.0
82.03785	0.7
97.06575	0.9
98.22590	1.1
106.74627	0.6
121.06670	0.8
122.03747	1.8
123.04520	100.0
124.04846	2.2
137.06027	1.1
160.12856	0.5
165.05602	1.9
193.24126	0.6
303.23132	0.7
305.21228	1.5
321.89374	0.6
331.19138	1.3
347.22232	33.6
348.22681	2.8
361.23572	0.7
389.23236	41.9
390.23538	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	389.2332
Annotation	Epiadejone diacetate
Peak:m/z	Relative Intensity
57.03428	2.2
65.03965	0.8
67.01887	0.9
69.03448	1.0
69.40576	2.7
74.13565	0.6
76.52871	0.6
79.01871	0.6
81.03449	1.2
83.05000	1.3
90.40459	0.7
93.03457	27.6
95.01379	2.9
95.05022	9.1
97.02950	4.4
106.04240	4.2
108.02119	0.9
109.02980	3.8
109.84584	0.7
111.04488	2.0
119.01391	4.9
120.02139	1.7
120.05858	0.6
121.02959	6.3
122.03712	2.7
123.00863	2.1
131.05020	0.8
134.03763	0.8
135.04456	2.2
137.02423	2.7
137.06065	2.9
139.03012	0.8
139.04012	9.2
147.04503	0.8
148.01651	11.4
148.05310	4.3
151.04002	1.3
153.04192	0.6
153.05510	1.1
161.02464	3.3
162.03226	3.9
163.04013	1.9
166.02708	0.9
175.03990	0.8
179.03438	0.9
181.05081	2.9
190.02676	2.2
233.80243	0.7
259.20660	6.7
260.20929	0.7
261.22202	3.0
273.22131	1.5
285.19467	0.7
285.22266	5.1
287.20178	14.8
288.20566	1.2
301.21719	73.4
302.22025	7.3
319.22693	4.9
328.77051	0.8
329.21201	100.0
330.21539	9.2
345.24261	2.2
347.22247	34.4
347.25650	1.9
348.22641	3.5
371.22385	1.8
389.23328	46.4
390.23737	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	389.2334
Annotation	3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate
Peak:m/z	Relative Intensity
52.60916	0.6
54.00514	0.7
55.01878	0.7
57.03431	1.1
59.01377	4.2
61.15583	0.7
61.98823	2.7
64.31239	0.6
65.03946	3.0
67.01882	2.3
69.03439	2.3
70.17854	0.7
70.18214	1.3
74.42546	0.6
81.03440	1.6
83.05042	0.9
84.18245	0.6
84.51358	0.6
85.02949	0.6
87.37744	0.7
91.01893	1.5
92.47610	0.6
93.03474	5.3
95.01381	4.7
95.05024	6.2
96.02136	1.0
97.02947	14.7
107.05061	1.1
109.02946	12.7
111.04491	3.5
119.04962	0.5
121.02962	5.4
122.03697	1.7
123.00868	4.0
123.04537	3.4
124.01660	2.5
135.04498	2.4
137.02443	21.5
137.06065	3.2
138.03203	0.6
139.04015	31.2
139.05136	1.5
140.04320	1.1
151.03973	1.2
153.05635	1.5
163.03984	2.5
165.01883	1.8
166.02719	0.8
175.03944	0.9
179.03432	1.9
181.05049	2.8
192.57689	0.7
225.18622	2.0
246.60518	0.6
249.22171	0.9
249.68440	0.7
259.20670	1.1
261.18582	0.7
261.22116	1.0
277.21661	2.1
279.15988	1.0
301.21722	2.2
305.21045	3.1
315.24771	0.7
317.21155	0.8
319.22729	7.9
329.21198	7.7
330.21381	1.2
345.20657	2.0
346.24722	1.9
347.22186	23.7
347.25952	6.2
348.22412	2.5
348.26297	1.0
353.04382	1.0
389.23260	100.0
390.23273	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97522	4.7
59.01382	6.4
61.98819	9.0
69.31824	15.3
69.32224	14.6
78.89507	5.1
91.10831	5.9
102.12218	5.5
111.61113	6.2
120.15592	4.9
122.03771	9.9
124.01635	7.1
137.06073	14.9
147.11615	5.4
167.03395	11.3
179.03511	6.7
331.19070	17.1
332.16357	7.4
332.19958	100.0
333.20370	9.8
347.18524	8.9
347.25876	14.9
374.20828	10.6
389.19025	10.3
389.23410	38.3
390.10339	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15229	0.9
59.01073	1.8
59.01375	35.2
61.39868	0.9
61.98831	2.9
69.25990	5.1
81.03452	16.8
95.01400	1.8
95.05018	1.0
98.00115	1.0
98.21863	1.8
101.02129	1.0
109.02999	1.0
110.83076	0.8
123.00890	11.8
136.05283	7.0
137.02498	4.2
137.06079	100.0
138.06421	3.9
138.27719	0.8
139.04094	0.8
150.38040	0.8
162.11028	0.9
165.01927	8.7
179.07130	48.9
180.07501	2.2
238.07751	0.9
264.17294	2.5
292.16763	1.8
293.17447	2.1
307.19125	37.8
307.26556	3.0
308.19489	2.3
317.21097	1.0
319.21826	1.0
329.24750	1.3
347.25900	16.3
348.26080	1.7
383.82913	0.8
389.26996	57.3
390.10013	2.0
390.27271	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	389.2694
Annotation	4651-67-6
Peak:m/z	Relative Intensity
50.46641	0.4
51.30971	0.5
55.01867	1.0
57.03431	0.8
67.01897	0.8
68.99795	0.7
69.39553	1.4
69.39962	1.1
71.05007	0.7
79.05561	2.9
81.03464	1.7
83.05017	2.9
85.05670	0.7
93.03481	0.6
95.01365	0.7
97.02948	8.3
97.06604	1.0
99.92583	21.9
100.93364	0.9
106.04301	0.6
107.05022	5.2
107.12042	0.5
109.02941	5.3
109.06584	6.0
110.03767	1.3
111.04520	7.7
120.05406	0.6
121.02853	0.7
123.00855	1.1
123.04516	12.7
124.01748	0.5
125.06064	4.5
129.92310	0.8
135.04518	3.4
136.05315	0.6
137.02426	4.4
138.03223	1.6
151.04004	14.7
152.04778	0.7
153.05565	20.8
154.05891	0.8
176.04767	1.4
180.04268	1.0
185.06793	0.5
189.09161	0.6
195.17610	0.6
207.94708	1.1
221.96295	1.1
248.93571	1.4
253.21671	1.3
262.58511	0.6
280.92624	0.7
287.23853	1.5
289.21667	0.9
293.17566	1.3
305.24792	0.7
317.21408	0.6
318.16327	0.6
331.40378	0.6
332.20035	0.8
343.26315	1.8
345.27924	1.3
361.27466	10.2
362.27826	1.0
371.25830	7.9
372.13702	0.9
372.26312	1.2
385.11154	0.9
386.45676	0.6
389.14316	10.6
389.26962	100.0
390.10056	5.8
390.14825	2.5
390.27264	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2693
Annotation	4651-67-6
Peak:m/z	Relative Intensity
55.01874	3.0
57.03437	0.6
57.11437	0.7
59.01373	1.7
61.98824	1.2
69.94905	1.8
71.01373	0.9
81.03423	0.9
86.85545	0.5
95.05022	1.2
98.21967	0.9
117.72169	0.6
121.68164	0.5
122.03763	1.4
123.00881	3.2
125.87353	1.8
136.05278	1.8
137.06094	4.5
149.06079	1.5
157.86397	1.0
209.85368	0.6
219.13750	1.2
239.91171	1.1
248.88190	1.3
285.22232	0.7
287.20355	0.6
303.23297	0.8
315.23291	2.0
317.24884	2.6
327.23047	1.2
327.26883	16.3
328.27255	1.3
329.21198	3.3
329.24911	1.9
343.26379	2.5
345.27979	10.1
346.28110	1.3
347.22183	8.1
347.25958	3.2
348.22681	0.7
353.04498	6.2
353.24985	0.7
354.04456	1.7
362.01550	1.3
371.25848	35.9
372.26233	4.7
389.26968	100.0
390.00980	1.8
390.22903	0.8
390.27356	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	389.2696
Annotation	Trifarin
Peak:m/z	Relative Intensity
51.91524	0.2
55.01882	0.4
59.01376	42.8
60.01704	0.4
61.07618	0.2
61.98825	0.4
65.00328	0.3
67.03995	0.2
70.81563	0.4
81.03452	22.8
82.03795	0.6
93.07113	0.6
95.05033	1.3
97.02934	0.5
119.05016	0.4
122.03735	0.5
123.00894	0.8
123.04516	0.5
135.08229	0.4
136.05293	5.9
137.06078	100.0
138.06410	3.3
161.06104	0.4
162.68388	0.2
165.01962	0.5
179.07124	48.1
180.07484	2.2
190.57129	0.2
225.32779	0.2
226.77777	0.2
307.19153	2.5
347.25894	8.7
348.26239	0.8
389.26962	53.5
390.27264	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	389.2695
Annotation	3-Hydroxyirisquinone
Peak:m/z	Relative Intensity
62.03406	0.3
69.26665	1.7
71.90752	0.3
93.03442	0.4
97.75135	0.3
108.01444	0.6
108.02166	9.5
108.02895	0.5
109.02962	2.2
120.46404	0.3
121.02950	2.5
122.03763	0.6
123.00866	1.3
130.67735	0.4
134.03766	0.9
135.04509	1.1
136.01636	1.6
137.02452	2.2
138.03238	1.8
150.03224	2.7
163.04033	0.6
164.04813	0.8
165.67604	0.3
176.04794	0.7
177.05614	0.5
303.23270	44.2
304.23630	4.3
315.23364	0.8
316.24063	3.8
317.24631	1.3
329.24811	0.8
331.22757	100.0
332.23236	13.7
332.63528	0.4
333.23956	0.7
346.25101	17.4
347.25620	2.1
357.24341	1.5
358.24997	1.1
359.25897	4.6
360.26151	0.5
389.26947	60.6
390.27261	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	389.2695
Annotation	Trifarin
Peak:m/z	Relative Intensity
55.50083	0.3
59.01374	41.3
60.01698	0.4
61.98824	1.2
63.01532	0.4
65.00316	0.8
65.35725	0.3
67.50513	0.4
69.85687	0.8
69.86031	0.5
73.03551	0.3
78.79398	0.3
81.03449	22.4
82.03772	0.7
93.07084	0.8
94.92489	0.4
95.04997	1.2
102.23315	0.3
119.05031	0.4
122.03761	0.9
123.00878	2.0
123.04501	0.8
133.37442	0.4
136.05296	6.2
137.06076	100.0
138.06398	2.8
139.04048	0.5
151.04013	0.6
165.01952	1.8
174.95862	0.4
179.07123	44.7
180.07466	1.8
191.18642	0.4
231.62343	0.4
292.16653	0.5
293.17801	0.6
307.19122	5.7
308.19272	0.6
330.57678	0.4
347.25864	10.0
348.26230	1.1
389.26971	59.2
390.10077	1.1
390.27295	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	389.2694
Annotation	Trifarin
Peak:m/z	Relative Intensity
59.01395	0.7
61.58880	0.4
69.44195	2.0
77.58393	0.4
80.02713	0.9
81.03471	0.4
93.03455	4.6
95.01405	0.6
108.02172	11.0
109.02946	7.2
110.03735	4.4
121.02956	9.9
122.03796	0.5
122.43095	0.5
123.00928	0.6
123.04525	4.0
124.01694	1.0
125.02450	1.1
134.03775	0.6
135.04573	1.2
136.01695	1.1
137.02440	26.3
137.06119	1.3
138.03230	19.0
139.03961	0.6
142.02737	0.5
148.05350	0.9
151.04005	6.9
151.19707	0.4
152.04762	1.9
153.05571	12.2
154.06013	0.6
161.02527	1.0
165.01952	1.8
165.05573	0.9
166.02707	5.6
166.03978	0.5
175.04041	0.7
179.03529	1.0
180.04271	2.5
198.01805	0.8
253.21742	0.7
269.02069	0.4
279.19669	7.0
279.23306	1.4
280.20010	0.7
286.17377	0.4
304.20230	0.5
307.19147	100.0
307.22537	5.7
308.19501	8.2
308.22958	0.6
324.44858	0.5
329.24878	3.5
330.25320	0.5
331.22665	0.8
332.23416	0.6
333.20670	3.5
345.24289	1.4
346.25095	2.1
347.25821	34.0
348.26172	4.1
357.24316	4.6
359.25467	0.5
371.25912	0.7
374.24643	0.6
389.26901	66.9
390.10901	0.5
390.22800	0.9
390.27316	8.0
399.75745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2696
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
53.80826	0.4
59.01370	0.8
61.98823	1.3
64.23618	0.4
67.22427	0.4
69.70867	1.0
69.71227	1.1
81.03447	0.8
98.21820	0.8
108.02157	1.5
109.02982	0.9
121.02959	0.7
121.49570	0.5
122.03736	85.1
123.00873	2.4
123.04498	1.8
125.02422	1.1
125.87345	2.0
126.03286	0.7
136.01628	1.1
137.02454	1.4
137.06081	69.8
138.06424	2.9
151.04063	1.4
154.02681	0.8
157.86287	0.6
177.05470	0.7
202.99823	0.7
206.14890	0.5
238.34854	0.7
239.91180	1.4
248.88106	1.3
271.90381	0.6
305.17560	9.4
306.18079	0.8
346.24765	1.3
353.04514	5.1
354.04465	1.7
361.23911	2.6
371.25870	7.4
372.26379	1.1
387.25543	1.1
387.71732	0.5
389.16153	2.2
389.26978	100.0
390.00928	2.5
390.27350	12.1
390.32562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2697
Annotation	8(17),13E-Labdadien-7alpha,15-diol diacetate
Peak:m/z	Relative Intensity
52.46186	0.8
59.01360	1.2
89.62424	1.0
91.17994	0.8
91.52979	0.9
108.02215	1.0
109.04138	0.8
123.04567	4.7
134.33191	0.9
135.04559	1.4
137.02473	1.7
138.03241	17.4
142.82895	0.9
148.05261	2.4
151.03969	4.7
152.04752	2.9
165.05600	1.7
264.49640	0.9
317.24896	1.1
329.24756	1.8
331.22797	1.0
332.23456	2.5
345.28085	2.5
346.25049	5.1
347.25824	100.0
348.26230	8.4
389.26758	4.2
390.22943	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	389.2695
Annotation	CHEMBL271172
Peak:m/z	Relative Intensity
55.01879	14.5
57.03440	3.5
59.01349	2.8
61.98823	6.3
63.05661	2.2
70.92374	2.8
87.97736	2.5
95.05042	6.4
129.09225	3.0
131.14865	1.8
136.05310	6.8
137.06134	4.6
139.11330	10.8
141.04486	2.4
149.06090	8.2
191.14351	2.1
205.12253	2.5
213.87402	2.1
233.15424	3.1
245.15506	2.8
247.16995	13.4
249.14938	78.5
250.15248	4.5
259.17026	14.6
261.18704	6.8
263.16492	8.5
271.17026	2.8
275.16483	22.6
277.18222	8.8
279.16119	7.7
289.18060	36.9
290.18390	3.0
341.77435	2.3
353.24915	7.5
354.25156	2.2
371.21811	3.4
371.25937	46.3
372.26294	8.3
389.27081	100.0
390.27518	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	389.2695
Annotation	CHEMBL271172
Peak:m/z	Relative Intensity
55.01874	9.0
55.91074	1.1
57.03444	2.7
58.00600	1.2
59.01376	2.2
61.98814	2.8
66.74181	1.2
70.98884	1.9
83.05016	1.2
93.43320	1.1
95.05015	3.9
99.08136	2.2
101.01828	1.2
112.27990	1.1
113.09712	4.1
123.90329	1.1
129.09224	4.3
136.05278	6.4
137.06067	4.2
139.11302	1.4
149.06085	6.6
152.91801	1.2
161.05875	1.1
163.07581	2.0
170.91109	1.1
233.15451	2.0
247.17032	9.3
249.14912	6.6
259.16992	24.8
260.17334	1.5
261.18588	11.7
271.16907	4.4
272.17383	1.5
275.16467	15.8
276.17029	2.3
277.18176	7.6
279.16147	1.1
289.18073	34.3
290.18399	3.8
305.17505	1.3
343.26355	2.3
353.24734	1.3
371.25900	31.2
372.26276	3.4
389.26968	100.0
390.27295	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2697
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
65.57327	0.5
69.16428	3.9
69.88199	0.5
76.16566	0.6
81.23836	0.7
109.02975	1.3
110.03748	2.4
125.02429	0.8
137.02435	1.1
138.03241	4.0
166.02731	3.4
179.03493	3.3
180.04282	1.4
182.03096	0.6
190.92012	0.6
193.04980	1.2
198.01726	0.7
207.55191	0.5
223.03816	0.6
244.57884	0.6
249.11270	0.7
263.12656	0.7
361.27408	1.9
364.94772	0.7
389.26947	100.0
390.27292	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	389.2697
Annotation	Trifarin
Peak:m/z	Relative Intensity
55.01879	3.8
59.01371	3.2
61.98830	6.8
70.32909	2.4
74.07751	1.2
93.03479	2.3
95.05043	2.7
103.56827	1.2
123.00898	4.0
127.53485	1.4
137.06125	4.0
143.99118	1.6
158.99771	1.5
221.15695	1.8
238.60873	1.5
248.88217	2.8
249.15051	2.5
263.16577	5.1
275.20190	1.8
291.09079	1.5
301.21835	4.7
303.23343	1.7
303.53741	1.6
329.21246	5.5
329.24960	8.4
330.25427	1.7
345.24417	3.6
347.25900	100.0
348.26202	11.2
353.04590	5.4
375.02573	2.0
389.27045	75.8
390.00620	2.3
390.05045	1.7
390.27359	7.9
414.82364	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.12232	0.5
70.12549	0.5
91.25140	0.4
252.39670	0.4
272.79306	0.4
356.30624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.18959	0.3
89.49802	0.3
100.87130	0.4
138.32039	0.3
197.79834	0.3
254.77411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
61.98828	100.0
66.94023	0.3
69.31772	1.6
71.01406	0.5
84.55943	0.2
85.02953	0.3
91.54307	0.3
95.34446	0.3
96.83405	0.3
116.43066	0.3
181.05984	0.3
212.76311	0.3
240.37207	0.3
347.11368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01699	2.5
61.98815	3.1
71.01381	16.8
72.01694	1.1
73.02937	4.2
83.01402	2.5
85.02943	7.3
89.02449	11.1
90.02804	1.2
99.00832	2.0
100.54733	1.2
101.02425	12.5
113.02438	9.2
119.03499	5.0
120.99580	1.3
143.03497	2.1
143.08961	1.1
161.04558	12.3
162.04887	1.8
169.08624	1.8
179.05525	1.9
183.10223	1.3
222.53493	1.1
228.07431	1.9
331.17566	3.4
347.17139	16.5
388.71161	1.2
391.19968	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	390.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89407	3.5
51.39004	4.0
54.31282	4.3
57.03428	7.4
59.01377	58.0
61.98829	100.0
63.92722	3.7
69.21144	3.4
71.01377	36.6
73.02937	9.2
76.89614	3.6
85.02945	16.9
87.00860	5.7
89.02443	11.1
95.05019	4.0
101.02432	26.2
109.02944	4.1
109.06604	3.9
113.02447	13.5
121.02964	5.6
125.02448	19.8
134.03728	5.8
140.06158	3.4
159.02972	4.0
161.04547	32.1
163.03995	5.6
167.10710	8.9
175.03952	5.8
185.11906	6.5
193.05028	11.1
207.06599	4.6
208.06935	5.3
279.12540	8.8
293.86707	4.4
347.16971	21.4
390.17694	15.8
391.04523	6.7
391.15961	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	390.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85125	3.1
55.85826	3.5
59.01370	9.9
61.98831	16.6
64.01441	3.6
72.99305	4.1
80.02676	3.8
110.92591	3.2
136.21303	3.2
162.83926	7.7
177.14297	3.4
193.15915	3.9
195.15828	6.8
195.17526	100.0
196.17757	6.9
227.20149	40.6
240.91267	3.7
251.16570	8.3
267.15942	27.5
327.18097	48.1
328.18433	4.0
332.19614	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	390.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.73981	2.3
61.00454	2.0
61.98825	12.0
65.61619	1.9
69.55753	8.3
71.01393	11.2
73.02945	5.2
78.94807	1.9
78.95922	2.1
80.16264	1.9
83.01406	3.0
85.02948	5.3
87.00909	1.9
89.02447	7.9
96.95998	8.8
96.96966	3.2
98.22655	4.0
101.02446	8.9
111.09502	2.2
113.02465	7.1
119.03455	2.1
144.04578	2.2
146.89067	2.2
161.04541	6.3
195.75333	2.0
229.04730	2.4
347.17133	18.8
390.18375	14.7
391.10504	1.9
391.19089	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56987	1.0
59.01364	4.8
61.98829	100.0
69.65914	4.0
89.25199	1.1
93.52722	1.2
123.12383	1.3
162.15923	1.2
171.10298	1.1
204.56532	1.3
223.87813	1.0
228.72420	1.2
302.01581	1.1
391.23526	1.3
410.13013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43499	1.1
59.01374	5.7
61.98826	100.0
69.11115	1.0
70.45662	1.7
97.27950	1.1
124.72311	1.2
129.75839	0.9
152.31216	1.3
167.02080	1.0
169.43344	1.0
297.34775	1.0
323.40781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57699	0.7
59.01373	2.1
61.98827	100.0
69.97498	1.6
82.97411	0.8
96.96008	3.4
238.02594	0.8
289.00772	0.8
293.27536	0.8
381.24896	0.8
390.16544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17950	0.7
59.01376	1.9
61.98814	1.7
65.03956	1.0
65.62707	0.7
66.42374	0.7
67.01891	1.3
69.03489	1.0
95.01387	2.8
95.05010	2.5
96.02174	1.8
97.02942	9.3
109.02935	3.9
111.58102	0.9
121.02969	2.0
122.03596	0.8
122.89412	1.0
123.00864	7.8
124.01661	1.8
125.87335	4.2
126.90483	1.6
137.02422	6.0
137.05975	0.9
137.99582	2.4
139.04013	13.4
152.01114	2.7
157.92288	1.9
165.99086	1.0
166.02736	1.3
167.14461	1.0
176.15173	0.9
185.91791	2.2
188.05147	0.7
191.14406	1.9
211.98598	0.8
213.91330	1.7
223.13324	1.5
235.13423	0.8
239.91071	0.8
241.90715	14.9
242.91548	0.8
248.88155	4.1
254.91615	1.5
255.92403	1.4
265.14435	24.6
272.89954	0.8
273.89746	8.1
277.21860	1.2
286.18613	0.8
305.12128	1.0
319.22794	4.2
327.04428	2.7
329.21155	2.7
330.11887	1.1
347.13461	2.7
347.22244	39.9
348.22556	3.8
349.20123	6.6
349.23849	1.6
353.04330	2.0
354.04532	2.7
355.04028	100.0
362.01254	1.7
371.24762	0.8
390.00854	3.1
390.27148	0.9
391.20981	1.7
391.28568	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	390.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86133	2.9
52.62663	2.8
57.02514	3.0
59.01368	10.3
59.81313	2.8
61.96867	2.7
61.98823	12.5
63.50051	2.9
70.03554	5.7
77.00646	2.9
81.03456	35.4
85.46258	2.9
123.04524	100.0
124.04860	3.7
125.02436	9.8
130.38730	2.8
137.06108	15.3
169.01402	11.4
178.14560	3.3
293.17630	9.3
294.18213	4.8
347.22250	79.9
348.22443	10.4
349.20206	4.2
355.03979	6.8
390.13037	23.1
390.63193	14.0
392.21240	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	390.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.4
61.24051	1.5
61.98817	6.1
65.20817	1.7
69.41087	6.3
74.35262	2.0
95.05041	3.5
105.72862	1.8
123.00882	9.7
124.01656	2.6
125.87323	5.1
126.90490	3.8
128.12964	1.9
137.06093	2.0
138.34656	1.7
151.07625	6.8
152.01074	2.6
167.14374	2.3
185.91714	2.9
191.14423	3.9
213.90970	1.7
223.13416	1.8
237.15041	1.7
241.90680	15.6
248.88026	4.7
263.12839	2.4
265.14413	18.4
273.89728	8.4
288.20444	2.4
327.04391	1.9
347.13513	2.0
347.25873	29.2
348.26288	3.9
354.04831	6.3
355.04016	100.0
362.01434	3.7
390.00784	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	390.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59541	2.7
52.91151	2.5
53.21899	3.1
59.01371	5.1
61.98822	7.9
62.91474	2.7
69.32889	6.2
69.33268	13.6
70.52830	2.8
112.22013	2.8
123.00884	9.7
125.87357	6.7
218.75513	2.6
241.90794	13.6
248.88101	4.4
265.14371	9.2
270.57108	2.9
273.89755	9.0
319.08286	3.3
347.25897	100.0
348.26361	10.0
349.70636	2.9
355.03989	74.3
360.10950	3.2
390.00562	4.9
391.21033	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	390.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54454	3.3
59.01360	8.4
61.98834	21.7
65.98457	3.2
75.16980	3.2
94.92567	3.4
123.00907	17.0
125.87347	7.7
137.06053	5.4
151.03986	6.1
157.86246	3.8
185.91721	5.3
191.14351	3.5
205.59506	3.1
207.13991	5.0
241.90764	22.8
248.88052	6.0
265.14426	17.0
273.89798	10.2
301.25375	11.2
329.24820	3.6
334.21237	4.4
345.24344	22.1
347.25919	59.0
348.26245	9.6
354.04453	6.1
355.04025	100.0
355.22522	4.2
362.01263	6.2
363.25342	14.8
390.00848	8.0
390.27463	4.7
391.24969	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20392	4.8
73.19901	3.2
79.47422	2.9
80.71346	3.0
81.03456	27.6
137.05089	6.9
137.06082	100.0
138.06323	4.1
272.78021	3.1
310.53458	3.4
347.22018	5.1
347.25882	46.6
348.26111	3.9
355.03998	4.5
364.07059	3.6
414.50485	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	390.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44329	6.4
61.98846	10.6
70.12280	14.5
70.12650	12.6
77.51656	8.2
97.02930	9.2
107.11739	6.8
122.03734	96.2
123.00938	8.2
123.04523	24.5
124.04877	17.4
137.02420	12.0
137.06097	100.0
138.03241	20.7
139.04016	37.8
146.67816	6.8
151.03989	17.3
152.04312	8.9
194.20424	7.0
231.19441	7.1
248.93625	13.3
280.92773	11.9
293.17523	72.0
332.19830	7.7
333.20248	32.5
334.21133	8.5
347.25919	95.2
348.26404	16.2
390.10144	95.9
390.19595	11.5
390.27176	25.3
391.24930	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59529	6.5
55.52511	5.9
59.01379	18.1
61.98825	27.9
70.17082	11.0
75.55428	6.8
79.62952	6.2
265.14352	12.7
305.21225	24.5
333.20670	59.0
334.21460	15.2
347.25845	100.0
348.22742	11.6
348.26563	10.0
349.23831	11.7
355.04013	21.7
390.27286	12.7
391.24713	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	33.3
61.98822	38.8
71.43542	12.6
96.67689	8.7
96.96023	13.3
101.45022	9.3
107.42903	9.5
116.92844	15.9
137.06128	11.5
162.83801	10.3
239.67456	8.7
265.03394	10.4
265.14621	17.0
273.89584	10.9
329.24973	15.2
333.20541	12.3
347.25885	100.0
348.05334	21.3
355.03909	46.5
390.27518	18.8
391.24960	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	391.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
59.01378	100.0
59.65671	0.8
69.33263	1.3
69.33603	4.4
71.01384	7.7
73.02942	3.3
83.01380	1.9
85.02940	3.6
85.68616	0.8
89.02444	1.9
95.01361	1.0
98.22646	1.7
101.02450	7.4
102.02811	0.9
102.96394	1.0
113.02436	4.1
120.87869	0.8
142.09113	1.0
143.03438	1.0
159.02943	0.8
161.04536	4.6
229.05107	1.3
269.10315	10.4
311.11270	2.9
391.20023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27486	1.1
59.01376	24.3
61.98827	22.3
71.01377	5.6
71.21355	1.1
73.02933	2.2
82.00622	1.3
84.95107	2.7
85.02929	2.4
101.02425	3.4
106.59694	1.2
110.00095	3.1
113.02438	4.0
124.12159	1.4
125.02413	4.0
131.03627	1.0
137.99582	4.7
139.00359	4.6
140.38158	1.2
152.01109	2.0
153.01932	100.0
154.02739	8.2
155.03529	2.0
161.04529	8.9
167.03467	8.5
168.04276	56.6
169.05064	22.7
217.00293	3.0
224.31952	1.3
226.64259	1.3
331.10315	38.7
332.10596	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	391.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98820	34.3
63.83290	13.5
65.21067	14.0
67.54244	13.9
101.07188	14.6
147.36714	14.4
162.02248	13.1
187.07677	17.5
355.04370	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
59.01375	100.0
60.01713	0.9
60.02558	0.6
62.08393	0.5
64.01974	0.6
70.05179	1.7
71.01377	6.7
73.02946	2.1
81.54535	0.6
85.02949	1.4
87.00882	0.9
89.02441	6.9
99.00874	1.6
101.02421	3.7
105.01923	1.4
106.06612	0.6
109.34537	0.5
113.02454	2.3
113.84070	0.6
119.03531	4.1
130.01335	0.6
131.03381	0.7
139.11282	19.6
140.11586	1.1
143.03473	0.8
147.02969	1.3
154.06134	0.6
161.04593	1.5
163.11220	0.9
165.09215	1.0
179.05576	2.2
181.12349	10.4
183.08607	1.2
183.10252	22.1
199.13377	7.6
208.74826	0.6
225.11319	5.2
243.12344	68.9
244.12738	3.8
290.18546	0.6
331.17664	0.8
391.16006	30.2
392.16434	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	391.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43645	0.5
52.18402	0.5
55.01903	0.6
57.03464	1.9
59.01376	64.8
61.98851	1.7
65.29623	0.6
66.54113	0.5
69.40751	1.8
71.01032	1.0
71.01366	3.7
72.62621	0.5
73.02942	6.1
81.55035	0.6
83.01412	0.7
85.02972	3.4
87.00881	2.5
89.02445	1.4
89.78001	0.6
95.04991	0.7
98.21817	0.9
99.00904	1.1
101.02444	3.3
102.22311	0.5
108.98734	0.5
109.02974	0.5
113.02460	1.2
115.13326	0.5
119.03505	0.7
137.02437	0.8
137.09724	0.9
139.11285	24.7
140.11642	0.8
146.55836	0.6
147.02983	0.9
152.50851	0.5
155.10806	0.7
161.04607	1.9
165.09192	1.0
181.12340	13.9
182.12637	0.6
183.10254	28.0
184.10606	1.4
191.02069	0.5
199.13394	8.3
225.11304	7.2
243.12350	100.0
244.12708	5.1
275.41284	0.6
331.17361	1.5
373.14694	0.8
391.15918	43.9
391.19739	3.0
392.16083	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	391.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
60.96102	0.3
65.08300	0.3
66.27444	0.3
69.13366	0.3
69.76596	1.0
80.03403	0.3
99.92587	1.1
109.02934	1.3
109.28350	0.3
110.03738	2.7
123.04521	0.6
124.06189	0.3
125.02405	0.9
133.05035	0.3
137.02414	1.9
138.03235	5.3
139.04016	0.4
142.02713	0.6
150.67892	0.3
151.03964	0.9
152.04648	0.4
153.05606	0.7
166.02722	3.7
167.03499	1.6
179.03471	5.4
180.04240	1.6
189.59041	0.3
191.07088	0.4
193.05078	2.4
198.01700	0.9
208.07417	0.4
235.09790	0.4
236.10526	0.8
280.91608	0.3
305.21191	4.9
306.21671	0.5
326.49896	0.3
333.20682	100.0
334.21283	23.0
335.21832	1.0
347.22281	1.6
349.23984	0.6
363.28757	0.4
373.27417	0.5
376.22678	1.5
377.23450	0.3
391.16498	5.1
391.24063	3.0
391.29257	4.0
392.16205	0.6
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
52.42477	0.6
59.01375	100.0
60.01706	1.1
61.98829	1.7
69.17554	4.3
70.52376	0.7
71.01372	4.4
73.02941	0.9
78.63503	0.6
80.05393	0.7
80.93127	0.6
83.97390	0.6
85.02952	1.5
89.02412	4.9
101.02420	3.6
112.17599	0.6
113.02466	2.5
119.03518	2.9
134.58620	0.5
136.78130	0.6
143.03540	1.0
157.15788	0.7
161.04605	3.0
227.07216	1.9
228.07520	3.0
229.07657	3.1
331.17590	9.8
332.17960	0.8
391.19165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03471	0.4
59.01379	100.0
60.01699	0.6
69.58719	0.2
69.59055	1.0
71.01380	4.4
73.02945	2.0
82.95441	0.4
83.01391	0.9
85.02953	2.1
88.98385	0.2
89.02454	0.4
95.01417	0.4
97.03081	0.3
99.00889	0.6
101.02436	4.6
102.79299	0.2
113.02451	2.2
122.16878	0.2
126.76945	0.2
143.03499	0.4
159.03003	0.3
161.04556	5.7
161.05830	0.4
166.85138	0.3
178.21834	0.2
216.08984	0.4
331.17609	15.7
332.17929	1.3
349.18655	0.3
391.19678	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66154	0.4
59.01377	100.0
60.01706	0.7
61.98825	9.0
69.48925	1.0
69.49310	0.9
71.01376	3.5
73.02959	0.9
85.02962	1.4
89.02457	2.8
101.02444	2.5
113.02467	1.8
119.03499	1.0
122.44539	0.4
123.07796	0.4
126.19103	0.4
143.03433	0.5
149.06044	0.3
161.04555	3.2
166.02750	0.4
179.05666	0.5
207.04022	0.4
217.00328	0.5
225.71735	0.4
235.53946	0.4
316.77606	0.4
331.17697	3.5
332.18433	0.6
391.19870	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32313	0.4
55.01878	1.0
57.03450	0.9
59.01377	100.0
60.01723	0.9
61.98821	0.5
69.18719	3.0
71.01378	11.7
72.99314	0.7
73.02951	3.5
75.00897	0.4
81.03446	0.5
83.01402	1.6
85.02946	5.9
87.00916	0.7
87.04517	1.1
89.02440	5.1
95.01388	1.0
97.02953	0.7
99.00908	1.4
101.02438	10.1
113.02456	5.7
119.03521	1.9
120.23611	0.4
125.02462	0.7
125.09775	0.7
133.25777	0.5
136.05319	0.4
137.09718	0.8
138.03288	0.6
140.03671	0.4
143.03534	0.7
149.02414	0.5
155.10789	3.5
159.02974	0.9
160.01701	0.4
161.04561	7.9
175.20514	0.5
179.05705	0.5
179.07167	1.5
186.06935	1.4
187.09866	1.6
193.05077	0.7
199.09743	3.9
211.13399	0.5
223.06206	1.3
229.08804	0.6
229.14517	0.4
235.06139	0.5
239.05714	0.9
241.10786	0.7
295.08154	0.8
301.12979	1.0
303.16458	0.6
322.43768	0.4
331.17621	8.2
331.21564	0.6
349.18881	1.2
391.19504	5.9
391.23627	5.6
392.19647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31301	0.2
59.01378	100.0
60.01719	0.9
69.59476	0.6
69.59863	0.5
71.01385	2.2
73.02949	0.8
85.02955	1.2
89.02453	0.2
98.22577	0.3
99.00903	0.4
101.02436	1.9
113.02440	1.2
161.04546	2.6
186.62639	0.2
231.36540	0.3
313.15396	0.3
331.17612	2.4
391.19791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18913	0.5
52.78966	0.6
53.53090	0.4
58.24060	0.4
59.01376	100.0
59.56618	0.5
60.01709	0.4
69.26141	1.8
69.26547	1.1
71.01379	9.3
72.99308	0.5
85.02946	0.7
85.26114	0.5
89.02443	12.2
95.79282	0.5
101.02441	5.2
113.02428	3.7
115.33291	0.5
119.03512	5.9
125.02424	0.5
131.03586	0.6
143.03546	0.7
149.04597	1.0
161.04640	1.5
165.43115	0.5
179.05598	2.9
179.36858	0.5
221.99417	0.5
229.18588	0.5
287.18835	0.5
320.03140	0.5
331.17664	1.2
381.80783	0.6
391.19669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06894	0.3
59.01377	100.0
60.01722	1.3
61.98818	0.4
69.29261	1.5
69.56991	0.3
71.01380	2.8
73.02954	1.1
78.25359	0.3
79.44399	0.3
83.01378	0.5
83.70702	0.3
85.02972	1.1
86.07349	0.3
101.02452	2.7
113.02478	1.3
118.98094	0.5
119.03516	0.3
145.50755	0.3
151.00385	0.5
159.03044	0.7
161.04591	2.6
271.06232	0.8
310.84116	0.3
331.17520	6.3
332.18152	0.5
391.19778	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.0
69.30736	1.7
71.01379	15.9
72.99329	0.8
73.02956	0.8
83.01395	0.8
85.02936	2.2
87.00867	0.9
87.04537	0.4
89.02443	22.8
89.56414	0.4
95.01404	1.5
101.02442	7.6
101.03073	0.5
113.02449	6.2
117.05513	0.4
119.03505	7.4
120.03890	0.5
131.03568	0.7
143.03532	1.8
149.04510	0.9
161.04567	2.2
179.05620	6.6
200.01184	0.4
200.93657	0.5
201.55750	0.4
255.27664	0.5
331.17712	0.6
349.18729	0.5
391.27176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.7
69.30610	1.3
69.30993	1.1
71.01389	0.9
73.02956	1.1
101.02487	0.9
135.85197	0.4
161.04619	0.5
162.12627	0.4
165.51443	0.5
173.90244	0.5
176.13295	0.6
220.46678	0.6
248.48027	0.5
349.18842	1.0
391.19534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27694	0.4
55.01877	1.5
55.17712	0.5
57.03441	1.2
58.00577	0.6
59.01376	100.0
59.52420	0.4
60.01688	0.6
61.98837	0.9
62.66454	0.5
66.10970	0.5
69.03445	1.2
71.01378	29.6
72.99310	1.0
73.02942	20.0
73.03356	1.0
83.01379	6.7
85.02946	18.8
86.00108	0.9
87.00879	15.8
87.04514	2.4
89.02443	14.2
90.56979	0.4
91.02772	0.4
93.03446	3.1
95.01399	2.2
97.02968	2.0
99.00868	3.1
99.08139	4.9
101.02436	26.6
106.04819	0.5
111.00874	8.0
113.02451	11.0
115.07673	0.8
119.03506	4.1
125.02449	1.7
127.07669	3.9
129.01965	1.7
129.09213	8.0
131.03529	0.9
137.02443	7.5
141.01926	2.9
143.03532	1.8
143.05049	1.0
149.04529	0.5
159.03026	1.6
161.04564	11.6
161.05836	0.9
169.12360	1.5
179.05650	1.5
187.13312	2.4
189.14984	0.9
192.00635	0.4
203.05644	1.5
214.06386	0.7
215.07175	1.1
240.04320	1.1
258.05362	1.9
259.15466	2.6
301.16602	1.4
331.17590	5.4
334.51694	0.6
349.18649	32.5
350.19202	3.6
391.10321	3.1
391.14859	0.8
391.19733	7.4
391.27036	4.4
392.19870	0.6
392.80637	0.5
414.73923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00821	5.0
58.32742	5.9
59.01372	65.3
61.98817	13.7
62.33068	5.1
65.26711	5.8
67.65897	5.1
80.63622	5.4
83.05010	5.8
92.23026	6.0
99.92595	20.8
106.46225	6.3
119.08681	15.7
137.09706	42.9
139.11198	6.1
148.06482	5.8
167.61372	5.4
171.10274	93.1
185.11821	19.5
193.08458	14.4
207.10011	100.0
253.09122	6.5
273.18448	9.6
291.19656	26.5
294.54788	6.2
309.20679	86.5
310.21082	7.2
313.17877	94.0
314.18106	9.3
337.13171	8.6
347.22153	30.9
391.21216	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07574	1.9
56.37003	1.9
57.03436	2.9
57.18511	1.8
59.01383	39.7
60.31901	1.7
61.98822	5.5
69.03447	4.0
70.21405	2.0
70.21737	2.3
81.56216	1.6
86.46001	1.4
93.03407	2.2
96.96014	2.5
99.92573	10.9
119.08672	15.7
121.10246	2.4
125.09705	10.8
127.11302	3.6
137.09726	32.6
139.11276	6.6
147.08075	2.5
155.10744	5.5
166.64624	1.8
167.10760	3.7
171.10262	79.6
172.10602	1.7
179.10550	4.9
183.10228	2.9
185.11818	20.0
193.08405	6.0
201.11305	7.8
207.10020	100.0
208.10315	3.1
213.11304	5.1
221.11478	2.6
221.15530	4.4
225.09772	2.6
229.19553	2.8
245.18988	4.8
253.09363	3.1
267.11060	2.1
273.18533	8.7
291.19650	15.3
292.19949	2.2
293.17770	2.4
295.16769	5.0
309.20715	50.5
310.21082	3.6
313.17862	88.7
314.18146	8.1
326.42294	1.8
331.17593	2.6
337.05560	1.9
373.18619	3.7
391.20801	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	391.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.3
59.01361	1.8
61.98818	0.4
63.69898	0.4
65.00322	0.6
66.33843	0.4
70.69050	0.6
75.00866	2.5
81.03446	2.0
81.16396	0.4
83.01385	9.6
84.45985	0.3
97.06596	0.5
97.83719	0.5
108.02230	0.4
112.84281	0.4
113.09728	0.7
113.49313	0.3
121.02961	0.9
122.03732	11.2
123.00823	0.6
123.04558	2.0
125.02440	100.0
125.09734	2.2
126.02743	2.4
137.02428	0.7
137.06079	10.3
139.07661	0.7
144.87308	0.4
149.02510	2.1
151.00371	1.0
154.02519	0.4
167.03494	2.1
265.14749	0.7
265.18066	2.4
266.92480	0.4
275.16492	0.7
303.19495	0.5
305.21121	0.4
314.79648	0.4
333.20773	2.8
334.21359	1.5
348.23013	0.7
349.24026	0.9
355.03958	1.8
391.21014	9.4
391.29013	4.0
392.21671	1.1
392.29141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92579	0.2
64.44247	0.2
70.75803	0.4
84.15962	0.2
99.04155	0.2
110.03773	0.4
138.03220	0.5
139.03999	2.9
150.03220	0.5
153.89896	0.2
162.22617	0.2
166.02719	0.8
167.03497	12.2
168.04138	0.9
179.03487	0.3
181.05066	1.3
191.07176	0.6
191.10817	0.4
198.72182	0.3
200.30719	0.2
205.71062	0.3
219.10184	0.7
236.10379	0.4
237.11295	0.6
240.80058	0.3
273.14868	0.5
291.15970	1.1
305.21161	0.6
333.20694	19.9
334.21460	100.0
335.21820	10.5
335.25931	0.5
376.22525	9.1
377.22910	1.1
391.24887	8.3
392.25211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2488
Annotation	Acetoxy-[10]-gingerol
Peak:m/z	Relative Intensity
52.30443	0.5
60.14614	0.5
70.51604	0.5
76.49445	0.5
95.63056	0.6
106.54459	0.5
116.06270	0.6
124.01643	0.6
135.04521	0.9
137.02448	1.9
149.02429	8.4
149.03563	0.8
152.01216	0.7
163.04013	5.6
177.01976	1.2
177.05556	2.2
178.06348	3.0
191.03578	1.3
192.07968	0.7
206.05885	2.0
257.22833	4.0
259.03885	0.6
274.91028	0.6
293.17551	7.4
317.51752	0.7
319.19113	5.0
319.22769	5.8
329.21188	2.4
329.24692	0.8
347.22244	100.0
348.18625	0.8
348.22653	13.0
391.24866	65.9
392.25137	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	391.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37317	0.9
70.12489	1.1
70.12821	2.1
108.32072	1.0
138.03227	2.3
139.04008	1.6
153.01912	0.9
166.02727	1.6
167.03493	8.6
174.07343	0.9
179.03438	1.4
190.47617	0.9
219.10184	0.9
228.20332	1.1
237.11295	0.9
238.43666	1.0
255.23366	1.4
291.43234	1.0
293.17642	1.7
305.21280	2.5
317.35339	0.9
333.20694	39.3
334.21448	100.0
335.21750	9.0
347.22153	3.4
349.23505	2.7
376.22473	10.1
377.22958	1.5
391.20987	2.5
391.25070	14.8
391.32501	1.0
392.24976	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	391.2852
Annotation	3-Hydroxydihydroirisquinone
Peak:m/z	Relative Intensity
50.47829	0.4
52.46947	0.4
55.01870	0.6
57.35735	0.5
71.07988	0.7
83.13607	0.5
108.02174	0.5
110.03711	1.5
111.60102	0.5
122.03718	1.4
123.04522	40.7
123.39725	0.5
124.04785	1.1
125.02464	0.7
137.02431	7.8
137.06108	1.2
138.03192	2.3
139.03961	0.8
151.04002	20.9
152.04825	4.2
165.05551	3.6
169.85303	0.5
179.10785	1.0
181.05064	0.7
184.26126	0.5
193.08707	1.0
197.19830	0.5
201.09425	0.5
207.10245	0.9
221.11835	0.5
221.15523	0.9
249.14983	1.3
275.20209	0.6
293.31540	0.5
303.23334	1.4
317.24789	4.4
331.22855	4.1
331.26266	0.8
345.24313	7.3
346.25070	17.3
347.25500	1.9
361.27454	40.9
362.27765	3.9
391.28519	100.0
392.28833	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2853
Annotation	3-Hydroxydihydroirisquinone
Peak:m/z	Relative Intensity
51.85213	0.4
53.51705	0.4
59.01378	0.5
65.07019	0.4
67.94324	0.4
70.67588	0.7
79.01131	0.4
107.05072	0.5
122.03703	0.6
123.04524	9.7
124.05289	0.5
135.04532	1.0
137.02460	1.8
138.03223	15.5
139.04030	0.5
148.05287	1.8
151.04007	17.5
151.43170	0.4
152.04781	5.7
158.38785	0.4
162.97466	0.4
165.05580	3.9
166.02702	1.0
175.07571	0.5
179.07164	0.6
180.04362	0.7
207.10292	0.7
237.28853	0.4
285.91019	0.5
319.26459	0.6
331.26312	2.2
333.24390	2.2
334.17996	0.5
334.21451	2.2
334.25162	2.8
347.25787	0.8
348.26666	64.3
349.27420	100.0
350.27835	9.2
391.28522	57.0
392.28818	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	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46845	0.5
59.01376	30.3
60.01706	2.2
61.22637	0.5
61.98827	100.0
65.31580	0.5
69.95030	0.8
69.95360	1.1
71.01382	5.1
73.02952	1.8
77.39250	0.6
83.01389	0.7
83.49557	0.8
85.02956	1.8
89.02448	2.0
99.00922	0.7
100.93370	0.5
101.02454	3.6
113.02478	2.0
116.92862	0.9
125.02468	1.9
161.04590	1.6
261.13422	4.0
274.75946	0.6
333.15555	0.7
391.18997	0.7
392.00699	0.9
392.19086	1.8
393.13208	4.7
393.17868	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	392.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27648	0.2
55.00729	0.2
61.98818	1.0
69.16138	1.4
69.60190	0.2
72.56607	0.2
101.94266	0.2
109.02909	1.1
109.38329	0.3
110.03713	2.9
117.45470	0.3
123.00861	0.4
124.01642	0.3
124.11286	0.2
125.02441	1.0
134.03842	0.2
137.02376	1.3
138.03226	5.8
139.03952	0.7
142.02727	0.7
157.11992	0.2
165.01985	0.4
166.02704	4.3
167.03447	1.6
168.03815	0.9
179.03474	0.7
179.04892	0.2
180.04225	1.3
198.01669	0.8
253.56169	0.2
279.19650	7.0
280.19882	0.5
292.16452	0.4
307.19116	100.0
307.79956	0.3
308.19467	8.5
310.19980	0.6
320.19849	1.5
321.20282	2.4
333.20627	1.5
334.21310	11.5
335.21796	24.5
336.22083	1.2
348.22882	0.3
357.92587	0.3
376.22592	0.3
377.22849	2.8
391.24841	0.5
392.11972	0.5
392.16971	3.5
392.25143	4.1
393.17194	0.3
393.26047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.3
57.03447	2.6
59.01380	89.0
60.01720	5.7
61.98829	5.6
65.27960	2.3
71.01381	30.3
72.01752	3.3
73.02941	12.7
83.01395	5.1
85.02958	12.1
85.04604	2.5
88.98798	22.5
89.02438	35.5
95.01384	4.3
100.54722	2.6
101.02432	30.9
102.05626	3.7
107.05038	4.0
113.02443	20.3
119.03519	13.0
123.04559	3.5
124.04833	2.5
128.03564	3.1
143.03520	4.3
147.60280	2.6
159.02925	3.3
161.04544	25.4
179.05606	11.1
187.09869	3.4
187.13385	6.6
188.10156	3.3
196.77512	2.7
201.22441	2.7
225.07184	2.6
230.09082	9.3
349.18668	100.0
350.19171	6.3
357.14536	3.8
392.20355	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	392.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	5.1
61.98819	11.8
69.18480	20.5
71.01380	37.9
85.02966	18.0
86.94077	4.3
89.02446	47.5
101.02460	31.6
102.29257	5.4
104.88182	5.0
111.58771	4.7
113.02433	15.3
119.03498	23.1
125.02446	7.6
127.87810	4.4
145.37479	4.6
152.80136	4.9
161.04532	19.3
179.05640	16.7
187.13341	6.7
245.58244	5.1
301.68155	4.8
321.75546	5.3
349.18680	92.4
350.19128	6.0
392.16650	17.2
393.17245	5.9
407.41364	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	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40989	0.5
59.01377	1.5
61.98827	100.0
62.78327	0.6
69.13826	4.1
88.86316	0.5
98.21883	1.5
110.14224	0.5
138.37201	0.7
143.62018	0.6
196.03404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76856	8.3
59.01377	19.1
61.38084	8.0
61.98825	18.3
69.79751	31.8
81.03463	22.8
92.92832	8.8
93.11630	8.8
99.73081	9.5
123.00892	18.2
127.87042	15.9
137.06071	100.0
138.06476	9.3
141.60341	9.3
142.55080	9.8
152.46254	9.5
162.76118	9.4
177.70322	10.5
219.52434	8.2
226.98586	8.3
241.90686	11.6
243.85567	8.7
243.90573	9.2
265.14389	17.6
266.14771	16.8
345.24368	92.3
346.24606	27.3
355.04105	63.5
356.04257	44.0
357.03677	62.8
392.00229	9.3
392.25076	37.6
393.22543	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	392.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
63.03845	1.1
70.77503	1.3
70.77868	1.6
76.94917	1.0
81.03449	34.4
93.03477	2.5
109.02992	2.1
123.04523	100.0
124.04866	3.8
132.41399	1.0
170.96231	1.3
193.08478	1.6
304.10318	1.3
349.23822	40.5
350.24121	3.3
365.26529	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46324	1.1
67.30536	1.3
69.49435	5.0
76.30980	1.3
81.03454	22.1
95.01399	1.3
95.05006	1.4
99.92574	3.0
114.75119	1.3
122.03755	1.2
123.00895	1.7
123.04589	1.6
124.01622	1.3
127.92832	1.7
137.06079	100.0
138.06383	3.5
149.13132	1.4
183.90358	1.2
194.86339	1.2
265.17487	1.3
291.15970	2.5
293.17520	4.3
294.17877	13.7
349.27469	43.3
350.27872	8.8
392.28778	1.9
393.22650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.08
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.4
61.98814	2.6
69.50233	2.6
71.01379	2.7
73.02918	1.0
80.91682	26.6
85.02962	1.5
89.02456	2.5
101.02456	1.5
103.05533	5.2
105.03452	1.4
105.07096	2.6
113.02460	1.5
117.07076	1.3
123.04532	3.7
125.02448	1.5
126.02753	1.0
130.04268	2.5
133.06589	2.5
135.04485	1.8
137.06050	1.5
145.06601	2.8
146.03734	1.7
147.04515	10.5
149.02461	1.1
149.06079	10.6
150.03210	2.1
151.04012	2.0
159.04527	1.4
160.05301	2.3
161.04820	1.2
161.06042	6.2
162.03175	2.1
163.04007	3.9
165.05566	8.5
167.03473	2.6
168.03891	0.9
173.02142	0.8
174.03177	2.4
175.03992	3.7
177.01958	3.0
177.05539	2.9
180.04286	2.3
180.81819	0.8
189.05571	12.6
190.02705	2.1
191.03499	100.0
192.03883	5.0
193.01294	1.1
193.05061	21.0
194.05408	1.4
195.06577	2.9
197.04596	0.8
205.05055	3.1
212.04745	0.9
217.01213	1.3
221.04538	7.1
229.03496	1.0
230.17618	1.7
232.99442	0.8
233.04535	21.5
234.05025	1.1
247.01051	1.6
253.67279	0.8
311.07712	74.8
312.08008	4.5
330.09195	0.9
333.05905	23.2
334.06369	1.8
365.39462	0.9
377.04630	1.8
392.22934	3.1
393.06888	15.0
393.16956	1.6
393.23038	4.1
394.06903	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	393.1192
Annotation	CHEBI:67624
Peak:m/z	Relative Intensity
55.01867	1.4
59.01367	3.0
61.74889	0.9
67.81934	0.7
69.03464	1.2
69.11286	4.0
69.11696	2.0
71.01385	0.9
73.02921	0.9
85.02965	0.8
98.21862	1.5
99.00867	1.5
104.28183	0.9
109.02951	2.1
111.00877	8.7
113.02452	3.6
122.03702	0.9
123.04462	1.2
125.02440	1.1
129.53143	0.8
135.04491	1.2
136.05241	1.7
137.02386	1.9
138.03203	2.1
149.06018	1.4
151.04077	1.1
157.01378	0.9
161.06120	1.6
162.06844	1.5
163.11211	2.0
165.05528	1.1
165.12831	1.1
171.04588	1.5
172.05223	1.8
177.12830	3.2
186.06844	4.5
188.04749	2.4
189.05562	1.5
190.06343	2.0
191.10733	1.3
193.12315	5.8
194.09319	1.1
205.12238	2.5
206.05850	1.6
207.10226	3.0
209.11794	13.0
215.14415	1.8
219.13936	4.4
221.11868	6.5
231.10222	1.5
231.13934	2.0
233.04449	1.1
233.15416	9.7
241.12265	1.0
243.13864	10.0
244.11063	1.2
245.11880	2.1
247.09711	1.0
247.13515	0.9
249.11096	1.2
249.14867	2.1
259.13373	9.1
261.11392	1.7
261.14935	7.2
273.10880	0.9
277.14401	7.5
287.12903	9.9
288.13232	1.5
305.13977	3.0
321.13364	3.4
338.26736	0.9
349.13040	5.9
365.12494	6.0
393.11862	100.0
394.12180	8.2
397.82986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.131
Annotation	N-Acetyl Serotonin beta-D-Glucuronide
Peak:m/z	Relative Intensity
52.00255	1.9
57.83876	2.1
59.01376	48.5
61.98822	11.9
68.99812	4.7
71.01382	7.5
75.00874	3.8
80.14409	1.9
81.23483	2.1
85.02972	2.0
87.00880	2.7
88.98789	2.3
89.02431	3.9
94.03003	2.4
101.02431	6.1
108.04554	100.0
109.04896	2.2
110.06123	4.3
111.49648	1.9
112.04068	3.3
113.02422	4.8
120.04553	4.5
122.06126	7.0
125.02433	3.8
138.05637	6.5
150.05566	2.0
150.55388	1.8
155.10788	2.4
160.01656	7.0
160.04057	4.3
161.04576	2.8
169.01532	2.1
174.09361	2.9
175.03978	10.9
178.05128	6.0
179.05640	2.6
181.03775	8.7
192.00586	2.7
193.05064	3.6
196.06133	7.1
202.07451	6.2
204.57375	2.1
208.17926	2.3
211.89699	2.1
217.05235	2.5
217.09801	68.8
218.10170	4.8
229.09825	8.0
247.10861	45.1
282.73944	2.4
316.39526	2.1
317.11417	50.1
318.11789	5.8
333.15479	7.7
349.14127	9.9
355.10474	3.9
393.13065	18.5
393.17551	4.4
393.21707	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	393.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	46.6
61.98830	100.0
69.48951	7.4
69.49320	6.5
71.01384	7.3
75.10989	3.7
89.02415	5.0
89.56731	4.0
101.02451	4.7
105.29041	3.9
141.85818	4.2
151.07642	12.1
161.04575	7.6
165.01924	6.1
167.03552	5.2
215.26854	4.1
223.57181	4.4
258.74301	4.5
357.11685	4.8
393.08228	8.3
393.13153	87.4
393.18066	7.4
394.13510	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	393.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.7
61.98835	2.1
69.19250	3.0
71.01373	4.0
73.02946	12.6
73.49994	0.5
83.01400	2.0
85.02951	0.9
89.02448	1.5
99.08194	0.6
101.02452	4.6
113.02454	1.2
115.36661	0.6
119.31506	0.5
119.89266	0.5
125.47321	0.6
127.07651	100.0
128.07959	2.9
145.08701	0.7
161.04633	0.7
164.15715	0.5
169.12305	1.8
171.06627	67.1
172.06975	1.6
176.04639	0.6
185.11803	1.3
202.27571	0.5
203.36328	0.6
213.11322	0.9
224.86603	0.5
231.12434	3.1
349.14743	1.5
356.09286	0.5
393.13782	34.8
393.17566	3.1
394.14029	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	393.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
63.37736	0.6
69.23831	3.0
88.91698	0.7
98.22655	1.0
102.03165	0.5
102.05309	0.6
104.53267	0.6
114.00771	0.6
146.03712	1.3
146.07416	3.0
159.04538	1.6
173.06100	3.8
174.06847	30.4
174.43690	0.6
175.07207	1.4
189.09200	100.0
189.99156	0.6
190.09546	5.4
238.19252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03456	0.7
58.00592	1.0
59.01376	92.2
60.01708	1.0
61.98818	1.1
69.03450	0.7
70.65513	0.8
71.01379	56.4
72.01723	0.9
72.99313	1.1
73.02945	16.9
74.03257	0.5
75.00845	0.6
78.83846	0.4
80.55270	0.4
83.01385	1.7
84.02211	0.5
85.02950	7.9
87.00873	1.3
89.02441	100.0
90.02770	1.3
95.01372	1.9
97.02962	1.4
99.00875	22.0
100.01254	0.7
101.02441	37.3
102.02774	0.9
113.02445	16.2
115.03951	0.9
119.03495	17.3
120.43334	0.4
125.02440	4.0
131.03496	17.0
137.02452	0.4
143.03499	3.3
149.04550	51.8
149.31114	0.4
150.04900	1.9
161.04558	4.4
167.94102	0.4
179.05621	7.7
187.03995	0.6
191.05611	11.5
195.55183	0.5
200.89093	0.4
221.06651	2.0
233.06723	0.9
251.07698	3.8
261.13510	2.1
277.64493	0.4
293.08694	0.9
311.09680	0.7
393.17630	32.5
394.17938	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07705	0.4
55.01873	3.8
57.03447	2.3
58.00629	0.5
59.01377	35.2
61.98550	0.4
61.98835	5.4
68.53596	0.5
69.03444	1.5
69.35435	2.2
71.01380	43.9
72.01687	0.6
72.99302	0.8
73.02945	25.0
74.68462	0.4
75.00861	1.4
81.03442	0.6
83.00919	0.6
83.01382	9.8
85.02950	23.8
86.00096	1.0
86.13477	0.4
87.00879	2.9
89.01924	0.7
89.02441	8.2
94.91253	0.4
95.01383	2.8
97.02938	1.7
97.06535	0.5
99.00878	8.7
99.08174	1.1
101.02441	47.2
102.02792	1.2
111.00892	0.7
111.53064	0.5
113.02448	19.6
114.02759	0.5
115.03997	1.3
119.03485	0.5
123.97643	0.5
125.02447	3.6
126.02778	0.9
129.01923	1.1
131.03479	2.0
131.41100	0.4
135.45775	0.4
143.03455	2.6
149.04529	1.6
150.03241	0.8
159.03001	4.0
161.04550	17.5
162.04897	0.9
165.05577	0.9
169.08643	0.7
197.04555	1.0
210.21385	0.5
233.06691	1.6
261.13412	60.5
262.13724	3.4
293.08908	0.7
333.15439	0.8
357.06396	0.5
386.60977	0.5
393.17645	100.0
394.17984	7.4
394.22498	0.7
411.82452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50823	1.2
59.01373	15.5
61.98801	1.5
62.87452	1.2
62.90487	1.3
64.61975	1.6
71.43252	2.3
75.00865	11.4
78.95901	14.8
84.91464	1.4
88.49400	1.4
95.04975	5.2
96.96907	3.5
97.06561	1.3
97.93112	1.8
101.66964	1.3
114.93346	2.4
132.98143	1.5
139.00290	3.2
151.11263	1.4
152.99574	22.8
171.10252	25.9
174.99150	4.2
181.01329	1.7
195.17471	2.3
236.20042	3.8
248.19783	1.5
262.21634	2.6
269.06793	3.7
277.21698	28.8
278.21823	1.5
280.13037	2.6
291.19522	1.5
295.22769	100.0
296.23053	9.8
306.20633	4.0
317.21161	2.7
321.24054	2.8
327.12756	1.4
329.14258	2.2
347.15234	2.1
349.16559	4.3
349.23563	2.4
393.15448	5.5
393.19272	52.8
394.21765	7.2
395.08347	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74485	0.8
59.01380	100.0
60.01700	1.5
61.98853	0.9
64.35636	0.9
67.84201	0.9
71.01379	5.2
71.44524	1.1
73.02946	1.5
83.01386	1.5
83.04997	1.3
85.02955	1.9
88.52045	0.8
89.02439	2.1
99.00878	0.8
100.88326	0.8
101.02457	5.9
113.02431	1.8
147.61244	0.9
148.51479	0.8
161.04517	3.5
163.11342	0.8
186.63310	0.9
209.11826	64.8
210.12140	3.2
227.12894	2.7
333.19061	4.2
393.21429	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	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.2
61.98825	4.6
69.80081	3.4
69.80409	3.5
78.75672	2.1
80.91675	3.3
82.64742	2.1
98.21770	2.0
99.92585	23.9
113.09783	2.8
125.87276	2.4
127.11314	3.8
139.11261	19.5
151.11351	2.6
171.10278	33.1
179.10542	5.8
183.10141	2.7
183.21214	2.1
185.11852	3.3
193.08449	11.8
201.11308	5.3
207.09982	20.3
211.13428	4.3
219.10037	5.4
233.11548	13.3
242.02301	3.9
247.20699	3.5
247.70979	2.4
293.21204	7.6
311.22269	100.0
312.22559	7.6
315.19391	32.3
316.19601	2.9
321.04910	2.6
333.20477	34.0
375.12909	2.5
377.19458	5.9
393.22131	14.0
394.22650	2.8
405.85446	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93642	1.4
57.03426	3.5
59.01379	25.5
61.98828	24.6
65.46367	1.2
65.65518	1.4
69.03445	1.6
73.02978	1.6
78.95926	8.4
80.91684	1.7
84.20793	1.3
84.90411	1.3
97.06607	1.8
98.22608	5.1
99.92574	8.7
100.92625	1.9
100.93362	1.7
112.23703	1.4
121.10171	1.8
125.09723	7.2
127.11315	8.5
130.49884	1.6
137.09810	1.5
139.11284	44.6
155.10786	4.1
155.27448	1.4
165.09081	3.6
167.10732	2.1
171.10260	78.2
172.10576	2.8
179.10452	3.7
183.10231	6.0
185.11830	21.8
191.06891	1.7
193.08441	100.0
194.08760	4.8
201.11298	10.6
203.10788	6.8
205.08392	1.9
207.10037	23.4
209.07896	1.5
223.09738	1.8
223.11819	2.3
253.09248	5.2
275.20068	5.6
283.75586	1.8
293.21158	11.0
306.04999	2.0
309.20523	1.6
311.22260	99.0
312.22592	9.0
315.19376	15.1
324.06396	2.1
333.20450	18.0
393.22592	19.8
394.23160	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	393.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	34.7
61.98832	23.9
71.01046	1.3
71.01372	8.8
71.44447	1.3
72.99303	15.0
74.68401	1.3
75.00871	1.5
83.01355	1.7
84.93879	2.4
87.00892	2.4
87.70113	1.4
89.02444	9.4
94.99027	1.4
99.00874	58.0
99.91957	2.8
99.92583	37.0
100.01257	2.0
100.92762	1.8
100.93317	8.5
113.99597	4.6
114.94885	1.6
115.00363	17.8
115.92088	10.7
116.92098	1.5
116.92844	39.4
117.01943	10.1
145.18222	1.6
169.16754	1.5
195.13463	1.6
202.48523	1.3
231.21042	2.5
275.20145	100.0
276.20459	7.5
277.21481	2.5
278.75073	1.3
282.17889	1.5
287.19949	1.4
293.21088	2.5
303.23267	15.1
333.20325	5.5
375.12674	8.0
375.21735	3.0
376.13107	2.9
393.13809	15.8
393.22806	17.3
394.14377	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	393.228
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
57.39973	2.1
59.01382	23.1
61.98837	2.5
71.28214	2.6
73.02954	5.2
81.10686	2.2
83.01402	6.0
85.02949	6.7
101.02444	20.1
110.03733	3.4
111.96616	2.5
112.64251	2.3
120.36736	2.0
121.02924	3.0
122.03753	7.3
123.00886	5.9
123.04521	7.1
124.01661	9.1
125.02439	12.0
133.39270	2.5
137.02438	3.3
138.03244	9.9
151.04027	11.5
152.01204	3.8
159.04625	2.1
165.05626	2.6
166.02716	5.3
179.03471	6.9
180.04250	3.7
261.22198	5.7
263.20132	2.8
265.17947	3.1
279.23276	8.5
289.21680	26.2
291.16122	3.1
291.19550	5.6
293.17596	30.3
294.17627	3.1
295.18033	2.9
305.21274	24.1
308.22900	3.2
317.21265	10.0
318.21939	35.9
319.22775	12.7
325.18640	2.8
330.20645	3.1
333.20691	100.0
334.20880	10.6
347.21191	3.5
360.23068	6.5
393.22830	34.4
393.27261	2.2
394.18408	4.2
394.23093	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	393.2284
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
52.32421	0.2
56.42592	0.2
60.55054	0.2
69.41621	0.6
87.09396	0.2
90.83514	0.2
93.22836	0.2
97.54827	0.2
115.34428	0.2
124.01667	0.5
125.02436	2.0
136.01672	0.6
137.02438	0.2
139.00342	0.4
152.01112	1.0
153.01939	8.7
154.02731	1.5
165.01904	0.9
166.02777	0.3
167.03528	1.1
177.05579	0.3
179.03490	0.2
181.05186	0.2
191.07082	0.2
212.23766	0.2
219.10207	0.2
222.09056	0.3
237.11354	0.2
251.12946	0.3
279.12350	1.1
307.19138	0.8
335.18646	19.1
336.19406	100.0
337.19748	8.9
350.21042	0.4
351.21756	0.2
365.26752	0.2
378.20459	7.9
379.20825	0.6
393.22830	20.8
394.23157	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	393.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.98816	0.3
67.68274	0.2
70.33865	0.4
70.34190	0.3
71.90940	0.2
95.51295	0.2
96.71673	0.2
98.21987	0.3
124.01633	0.4
125.02454	1.4
136.01625	0.6
152.01117	0.9
153.01933	10.4
154.02734	1.5
165.01868	0.3
166.02658	0.3
167.03510	1.0
170.88370	0.2
191.07100	0.5
208.07466	0.2
219.10306	0.8
227.92787	0.3
236.10504	0.2
237.11255	0.8
238.12059	0.3
265.10712	0.3
266.11621	0.4
307.15442	0.6
307.18842	0.5
318.18323	0.5
318.73984	0.2
335.18628	19.0
336.19388	100.0
337.15598	0.4
337.19745	8.7
350.20129	0.4
368.29498	0.2
378.20441	7.7
379.20752	0.8
393.22830	28.9
394.23172	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	393.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21748	2.9
51.77196	3.3
57.59227	3.1
59.01374	32.9
60.35856	3.0
61.98819	9.2
69.76273	9.8
69.76611	3.9
73.02934	8.1
74.44883	3.4
83.01391	4.5
85.02941	10.8
98.21912	4.8
101.02429	28.2
115.03975	6.8
116.92852	5.1
121.02901	5.0
122.03725	6.7
123.00895	6.3
123.04556	5.0
124.01669	5.3
125.02422	14.9
136.00191	3.2
137.02417	5.0
138.03191	10.6
142.01651	3.3
143.03537	3.9
149.68007	3.3
151.03986	13.2
152.01175	3.7
166.02751	4.6
169.01401	11.4
179.03531	7.4
183.01347	4.5
185.53616	3.4
249.22252	7.4
261.22165	10.4
279.20193	3.4
279.23148	18.4
289.21686	34.5
291.19711	6.7
293.17551	7.4
294.17969	3.6
305.21176	26.3
317.21152	14.5
318.21954	56.1
319.22467	17.5
325.18549	3.9
333.20670	100.0
333.23944	3.8
334.21060	7.5
335.18796	4.0
336.19385	31.9
354.27353	3.9
355.04050	21.5
355.22781	7.2
356.04239	3.8
357.03845	21.7
358.04001	4.9
360.22989	8.8
378.20493	7.1
393.18835	9.8
393.23230	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	393.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24669	0.3
71.22556	0.3
91.93876	0.2
114.64149	0.3
138.03290	0.4
139.03981	2.1
144.39876	0.3
150.03191	0.5
166.02654	0.3
167.03491	8.9
167.04884	0.5
168.04250	0.7
181.05051	0.4
199.90958	0.3
213.56915	0.3
307.22641	0.7
335.22287	14.8
336.23038	100.0
337.23410	8.4
376.15277	0.2
378.24106	6.5
379.24405	0.6
393.26459	7.7
394.26773	0.6
406.35471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2646
Annotation	Pregnacetal
Peak:m/z	Relative Intensity
59.01379	2.0
60.48284	1.4
84.41468	1.7
98.21804	3.5
123.04507	3.8
123.44052	1.5
135.04532	2.3
137.02455	14.1
151.04007	5.5
179.03494	3.7
202.96553	1.7
259.51370	1.5
289.21707	8.3
289.24579	1.6
290.21991	2.0
303.23224	12.6
305.21231	4.2
312.17050	1.5
317.21185	31.4
317.24646	3.1
318.21820	14.8
332.19727	2.4
333.20618	10.6
333.24399	18.0
336.22192	2.8
347.22256	19.9
348.22745	2.2
363.25366	24.0
364.25662	2.2
393.26456	100.0
394.26929	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3008
Annotation	Bisdihydrotrifarin
Peak:m/z	Relative Intensity
55.01873	2.4
59.01378	2.5
61.98818	4.4
64.80071	1.5
71.44217	1.9
85.06593	5.8
95.05003	1.8
136.05211	2.0
191.14525	2.1
264.72977	1.7
265.14514	3.6
271.93845	2.3
272.48596	1.8
291.12161	2.0
305.21359	4.2
309.13464	5.2
347.25711	3.0
351.25513	9.1
357.03882	3.6
391.28540	10.8
393.25845	4.8
393.30121	100.0
394.30527	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	393.3009
Annotation	Petromyzonol
Peak:m/z	Relative Intensity
63.31553	1.6
69.28988	7.9
94.39204	1.7
123.04522	71.2
124.04842	1.8
137.02449	14.3
138.03116	1.8
151.03998	33.3
151.05199	2.2
152.04778	3.8
165.05542	5.8
178.83842	1.8
305.25031	2.0
319.26337	8.7
333.24271	5.4
333.27917	1.9
347.25903	11.1
348.26709	19.7
363.28955	47.9
364.29446	5.0
393.30090	100.0
394.30533	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	394.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.0
61.98831	13.9
71.01381	7.0
79.28524	0.8
80.47240	0.8
85.02955	1.7
89.02433	6.3
95.01376	1.3
96.96009	1.8
96.96957	1.5
101.02456	3.0
107.01388	2.6
111.00903	1.0
113.02493	2.5
119.03510	1.7
120.55078	1.0
123.00872	10.5
124.01713	2.3
124.61673	1.0
125.02451	18.9
139.00418	1.2
141.01971	2.1
151.00362	10.8
151.07607	1.3
153.01920	1.1
162.83115	0.9
167.03468	1.0
168.00629	3.6
168.99957	2.2
169.01418	44.4
170.01802	1.1
177.01950	1.1
193.01465	1.3
211.02444	9.1
226.78473	0.9
241.03566	6.7
271.04584	6.1
275.03278	1.7
323.38956	0.9
331.06686	100.0
332.07156	6.0
360.40704	0.9
395.03125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42532	1.0
59.01369	7.1
61.98826	100.0
69.68055	2.9
71.01383	5.3
85.02976	1.2
87.02301	1.0
89.02435	2.0
89.27345	1.1
96.95991	1.9
96.96955	2.5
97.02920	1.2
98.22582	1.4
101.02465	1.2
107.01382	1.4
113.02486	1.2
124.01633	3.3
125.02444	25.7
138.03223	1.3
138.44727	1.0
139.04016	21.2
140.04395	1.1
168.00606	4.7
169.01421	64.4
169.05043	45.6
170.01657	2.2
170.05440	1.4
175.04118	1.3
177.01871	1.8
178.05077	1.6
197.04543	2.1
211.02478	15.2
241.03543	21.6
242.03873	1.4
271.04547	26.3
272.04904	2.4
296.18280	1.2
297.06369	1.2
331.06604	48.7
331.10324	30.9
332.06931	4.1
332.10672	4.1
352.00613	4.1
353.00418	1.8
358.11172	2.0
359.09680	1.5
387.39883	1.1
395.03033	1.8
405.46222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55961	0.9
52.75416	0.8
55.64363	1.0
59.01370	5.1
59.56521	0.8
61.03948	0.9
61.98827	100.0
69.49429	1.7
69.49815	1.7
71.01382	4.8
78.95910	1.5
89.02453	2.6
96.95999	1.8
96.96974	3.3
97.02985	1.2
101.02464	1.1
104.24226	0.9
105.50269	0.9
107.01379	1.6
109.02961	1.3
113.02512	1.2
118.34579	0.9
124.01691	1.4
125.02459	13.7
138.03223	1.1
139.03999	21.0
168.00618	2.6
169.01424	30.7
169.05052	37.9
170.01720	1.4
177.01907	1.5
178.05075	1.4
197.04561	1.6
211.02496	10.2
238.33464	1.2
241.03525	7.7
271.04565	18.4
271.25696	0.9
272.04791	1.1
297.06104	2.2
313.05417	1.0
331.06638	26.4
331.10352	29.9
332.06976	2.7
332.10587	2.0
352.00909	1.3
358.11609	2.4
359.09787	3.4
395.03091	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	394.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79337	0.5
56.34031	0.4
59.01378	0.8
61.98827	100.0
70.27294	0.4
71.41116	0.5
71.41474	0.5
75.83132	0.4
88.98798	0.7
93.18117	0.5
96.96004	1.5
115.27172	0.4
169.01392	0.9
171.20587	0.4
192.00749	0.6
193.01413	1.7
197.04648	0.5
217.26117	0.7
232.99431	0.5
313.05759	2.2
324.92972	0.5
331.06683	0.6
359.09915	0.9
395.02975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71648	0.3
59.01380	4.2
60.01715	0.8
61.01815	0.9
61.98829	100.0
69.58788	1.6
71.01400	0.6
73.60277	0.4
78.85027	0.4
85.23527	0.4
98.22585	0.8
117.87103	0.4
135.05788	0.4
141.45909	0.4
307.68109	0.5
412.14584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
60.01711	0.7
61.98828	100.0
69.47231	1.2
71.01382	0.5
249.53223	0.3
320.62238	0.5
394.21567	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	394.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.9
61.98826	100.0
64.20640	0.7
69.57169	0.6
71.01394	0.7
101.44746	0.6
110.02294	0.5
111.86012	0.6
115.23978	0.5
116.58623	0.7
121.29194	0.6
161.04680	0.6
165.52194	0.6
166.52426	0.7
168.56856	0.5
297.37283	0.6
359.16864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27560	0.9
59.01382	13.7
61.01784	2.1
61.98827	100.0
63.16878	0.9
65.04961	0.9
69.41629	0.8
71.01363	1.8
71.45324	0.9
74.06881	0.9
89.56228	0.8
96.04640	0.8
101.02447	1.0
109.61587	0.8
115.79774	0.8
122.02471	3.5
125.02453	8.9
133.24136	0.9
137.02444	2.6
143.03526	0.9
145.02899	1.7
158.06161	1.4
159.04497	1.0
161.04553	1.1
177.46944	0.8
193.65686	0.8
237.63742	1.0
244.06105	6.0
258.58844	0.9
271.06277	1.7
292.16885	0.9
350.10367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98826	100.0
71.01379	1.7
72.48293	1.1
113.02457	1.5
153.94910	1.2
189.09366	1.1
208.42540	1.1
233.08185	1.5
274.70279	1.0
277.86151	1.0
354.33850	1.1
394.12256	1.4
394.19662	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	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98826	100.0
71.01379	1.7
72.48293	1.1
113.02457	1.5
153.94910	1.2
189.09366	1.1
208.42540	1.1
233.08185	1.5
274.70279	1.0
277.86151	1.0
354.33850	1.1
394.12256	1.4
394.19662	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	394.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
61.98829	100.0
62.41930	0.4
69.23640	2.1
71.01382	0.8
81.10617	0.4
177.02173	0.4
218.70872	0.4
248.47078	0.4
304.80344	0.4
375.22687	0.5
394.21899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
60.88620	1.2
61.98831	2.6
67.39587	1.1
68.99811	1.4
76.90011	1.1
77.29354	1.1
78.95902	2.0
81.02216	2.5
97.00677	1.2
99.00900	1.4
99.92596	4.3
100.93371	2.0
102.50014	1.2
107.03765	17.1
108.51636	1.6
115.92062	2.5
116.92860	8.3
121.05310	1.7
122.02484	4.1
136.00380	1.3
150.33998	1.3
152.99597	2.9
153.01883	1.9
159.07866	1.3
181.01468	8.6
183.37793	1.3
194.04590	3.1
195.17603	3.8
204.17502	1.5
219.17595	3.2
234.18811	1.6
236.20184	100.0
237.20459	7.2
248.20129	3.1
250.18066	3.1
262.21738	39.3
263.22104	2.9
274.21771	2.7
278.17493	1.9
280.19315	2.0
290.21231	3.9
291.15948	2.7
296.23111	2.0
305.24637	2.9
306.20712	62.1
307.21088	4.5
318.20697	4.4
322.24628	3.7
323.18405	1.7
337.19647	1.4
350.19653	11.0
350.23468	5.3
352.22534	4.9
353.22754	1.5
377.14185	3.0
394.22482	33.6
395.15192	4.6
395.22919	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30442	2.4
61.98827	100.0
70.79533	4.5
78.95889	12.3
82.86707	2.6
104.64292	2.7
125.87316	16.8
149.12169	2.6
149.38519	2.3
152.99594	23.2
157.86298	4.0
181.01398	6.7
182.44357	2.5
190.57999	3.1
306.20511	3.2
395.24173	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21670	3.1
61.98827	8.1
69.57776	11.4
81.03458	33.8
82.03811	4.4
91.34737	3.2
96.96049	4.9
108.08041	3.6
136.05316	3.4
137.06079	100.0
138.06398	24.4
306.78226	4.4
309.17374	6.5
333.24271	11.7
347.25873	29.1
348.26343	28.6
356.04373	11.4
357.03806	18.6
358.04007	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	394.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96503	16.3
51.98020	19.3
59.01372	27.4
61.78709	18.7
61.98827	90.2
69.27634	100.0
103.74436	18.6
138.23274	18.3
196.77954	21.1
224.61069	19.9
286.60876	18.5
293.17914	18.9
309.17352	27.5
356.04337	58.2
357.03781	47.8
358.04156	45.9
417.85516	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	394.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05225	35.4
66.38483	35.6
83.10149	34.9
84.01483	32.5
86.18465	35.7
98.08391	34.8
98.45326	37.1
110.72781	40.8
202.80881	40.5
319.19229	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	395.0274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73531	0.6
58.50335	0.7
59.01362	2.1
60.99305	1.3
62.66128	0.8
69.80611	1.5
69.81010	1.4
70.75358	0.7
71.01315	0.9
78.95899	32.9
79.95732	2.8
88.98804	6.4
91.05536	1.1
93.03416	1.1
96.96004	100.0
96.96956	62.4
98.22584	0.8
107.05003	2.3
109.02942	1.2
112.98146	0.8
114.84920	0.8
119.05029	1.0
121.02938	1.6
123.00909	1.4
133.02954	6.9
135.04520	3.0
145.02977	1.5
147.04492	2.4
149.02425	2.0
151.04030	4.2
151.99199	0.7
161.02422	1.1
163.00383	1.3
163.04025	3.5
165.01944	0.9
175.04031	4.0
177.01923	32.4
178.02214	1.2
179.03450	5.0
182.99756	1.0
191.03459	1.5
204.98268	1.0
205.01505	1.5
206.99689	1.8
207.03027	3.2
211.63162	0.9
216.98203	1.0
219.02963	6.4
221.01317	2.0
225.00798	3.5
230.99846	1.2
232.97644	4.0
234.95557	1.5
234.99188	1.5
246.99150	3.8
247.96446	1.7
248.97159	2.2
249.00722	2.8
253.00285	2.3
258.99057	0.9
260.97089	1.2
261.00803	0.8
264.81470	0.8
274.98694	1.9
277.00278	1.3
278.98151	1.3
286.98859	1.1
289.00381	1.4
290.98303	8.3
292.99744	4.5
297.06149	15.5
298.06433	1.4
302.98218	1.6
304.99567	1.1
316.99545	1.6
320.99338	1.3
328.79858	0.8
332.99216	0.9
359.51288	0.8
395.02917	50.1
396.03247	2.4
401.20471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39544	0.4
55.17396	0.4
59.01374	1.3
60.99283	0.7
61.98827	5.8
64.53386	0.4
64.90679	0.4
65.94133	0.4
67.81387	0.4
70.67865	0.4
71.01374	2.8
71.44836	0.4
72.99283	0.5
73.02961	0.5
76.65509	0.4
77.57607	0.4
78.95905	1.6
79.95724	3.8
80.96512	3.7
83.01402	0.5
85.02947	1.1
87.00852	1.1
88.98799	2.9
96.96010	100.0
96.96996	3.1
99.00909	0.5
101.02421	1.1
105.79130	0.4
109.02946	9.4
110.03275	0.4
113.02448	0.8
122.97578	0.8
123.04460	0.4
125.02457	1.3
138.97081	7.9
139.04018	1.3
143.03484	0.5
150.56438	0.4
150.97014	1.4
151.04047	0.5
151.07632	1.4
153.01933	12.0
154.02228	0.6
155.17152	0.4
163.05750	0.4
164.98570	0.8
168.98108	1.0
169.01367	0.9
169.05072	1.2
170.01753	1.3
170.05402	1.1
175.07658	0.8
177.01933	1.2
180.98076	0.8
192.89032	0.4
195.02919	0.6
197.04547	0.8
212.02803	0.9
220.18617	0.4
222.99126	2.3
241.00226	54.6
242.00479	1.5
271.04657	0.7
272.04907	1.4
283.60162	0.4
289.76035	0.5
297.06180	1.1
315.07141	0.8
331.10577	0.5
332.06955	2.2
332.10730	1.0
348.80292	0.4
357.12122	0.4
395.02850	53.7
396.03198	3.9
417.00940	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	395.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.5
60.67505	0.6
61.98811	1.3
69.31228	3.2
71.01353	2.8
78.15246	0.6
82.89520	0.6
83.05009	0.7
87.00874	1.2
88.98808	1.0
89.02417	1.8
93.03432	1.2
96.96017	6.0
101.02386	1.1
106.90285	0.6
107.04983	0.9
109.02969	0.7
111.00812	0.6
121.02922	2.7
123.04532	2.0
125.02441	0.8
133.02969	0.8
137.02452	4.1
138.03206	0.9
145.02946	2.1
149.02451	4.7
151.04019	4.7
161.02402	1.5
161.04562	0.7
163.04045	1.3
164.01137	1.1
164.72324	0.6
165.01903	7.8
173.02400	1.0
177.01875	0.7
179.03465	2.0
187.40735	0.7
189.01920	1.3
191.03467	1.2
192.00648	1.6
193.01416	100.0
194.01756	4.1
195.03008	1.2
199.02274	0.6
206.32611	0.6
207.02980	8.5
215.99123	0.8
223.02472	1.3
231.01529	5.8
232.99397	15.3
233.99525	1.5
235.00262	0.7
235.02463	9.0
241.00179	2.7
247.00948	2.3
247.98178	3.9
273.99625	0.8
275.00473	21.2
276.00748	2.6
289.02048	1.3
313.05643	87.1
314.05899	5.1
317.01492	1.9
377.01761	1.5
394.96973	1.5
395.04718	24.1
395.15631	1.5
395.98047	1.9
396.04919	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	395.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99009	1.3
60.99305	15.2
69.37189	2.7
88.71467	0.7
88.80598	0.9
88.98801	100.0
98.21864	1.3
106.87778	0.8
112.74832	0.7
256.93008	0.9
272.64865	0.8
279.54684	0.7
394.96426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19612	0.5
59.01375	4.4
60.99301	12.1
66.01160	0.6
71.01370	3.0
83.01345	0.6
88.98800	100.0
89.02422	2.1
89.99117	1.1
101.02449	0.7
113.02409	1.6
125.02466	1.5
138.03223	0.7
167.03540	1.0
182.02095	1.0
192.00667	3.7
193.01393	1.3
194.02232	1.1
197.04565	4.7
206.02257	0.8
207.03072	0.8
234.01694	1.5
239.05594	1.9
249.04147	0.7
256.93002	1.0
276.70721	0.7
305.06827	1.8
312.04776	0.8
316.48175	0.8
327.07242	4.5
334.91708	0.7
349.05432	0.7
359.09821	11.6
360.10031	0.8
394.96274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49252	1.0
57.03450	1.0
57.93873	0.9
59.01369	4.4
60.99303	13.5
61.98816	3.8
69.37701	5.4
71.01374	2.2
83.05029	2.0
86.58965	1.0
88.98802	100.0
89.02434	1.2
89.99118	1.3
95.96437	0.9
96.96001	4.0
96.96969	1.5
101.06055	1.8
109.02925	1.0
113.02415	1.3
123.00858	5.3
125.02431	5.2
137.02449	2.5
138.03242	7.2
145.05069	1.5
149.05984	1.8
153.05544	4.3
160.82443	1.1
166.99820	2.6
178.60927	1.1
182.02199	11.5
183.02689	1.0
190.02715	1.4
192.00638	3.5
193.01395	1.7
197.04543	28.3
198.04958	1.4
213.91147	1.5
214.92006	2.8
227.02798	1.0
227.92685	2.3
228.93626	2.2
234.01668	2.0
249.04193	1.2
256.93103	7.2
285.06125	1.3
297.06143	1.1
305.06656	2.1
312.05051	1.1
326.01276	1.2
327.07187	6.5
359.09744	9.0
394.96143	7.6
395.02924	1.4
395.11911	2.8
395.96698	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	395.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03998	1.4
59.01375	13.2
61.98813	1.6
71.01379	6.7
71.28570	1.8
71.85090	1.7
73.02931	7.3
75.00897	2.5
85.02940	4.1
87.00865	2.4
88.98776	3.8
89.02438	2.8
96.96001	5.3
97.06588	2.7
99.00895	3.1
99.47707	1.5
100.86682	1.4
101.02427	3.0
110.19814	1.5
111.00871	2.0
112.83024	1.5
113.02453	6.5
123.00857	9.9
127.00353	3.3
137.02431	1.7
138.03185	11.0
139.00333	2.0
139.04007	2.5
145.08737	2.2
153.05568	27.9
154.02536	1.5
166.99858	4.0
179.07146	2.0
182.02194	19.5
196.03693	3.8
197.04539	100.0
198.04893	3.0
200.01712	1.5
211.06117	1.6
239.05591	7.9
249.06215	2.4
266.95181	2.8
323.09756	2.8
325.54608	1.6
328.66013	1.6
335.17050	2.6
349.18567	3.9
357.11902	5.3
395.14798	7.9
395.19412	4.6
402.19153	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	395.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54232	16.6
51.59636	18.2
59.01376	100.0
61.98828	39.5
66.41838	21.0
69.29822	82.6
71.01400	18.9
74.51494	20.1
74.95543	19.1
83.25327	15.8
85.02947	25.5
89.02451	25.3
154.46835	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
61.06992	0.4
70.79959	0.6
78.86893	0.4
81.82071	0.4
106.93315	0.4
119.05016	1.6
121.79376	0.4
148.08931	8.8
162.06891	0.8
176.08420	33.7
177.08757	1.8
191.10767	100.0
192.11119	5.8
221.94644	0.4
254.09767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
57.03445	3.0
59.01377	85.6
60.01721	1.0
61.98821	0.8
69.03447	1.6
69.23324	2.4
71.01380	47.8
72.01720	0.9
72.99297	1.3
73.02943	29.6
75.00875	1.2
75.80163	0.5
81.03455	1.2
83.01385	14.0
85.02947	29.9
86.00099	1.6
86.03242	0.6
87.00858	3.8
89.02440	11.4
95.01376	3.4
97.02963	2.2
98.16197	0.6
98.21809	0.6
99.00877	10.2
101.02441	58.4
101.09711	0.9
102.02774	1.2
111.00876	1.9
113.02448	21.5
114.02796	0.5
115.04004	1.0
119.03488	0.7
125.02438	4.2
129.01955	1.5
131.03496	3.2
143.03476	2.5
149.04527	1.4
152.48326	0.5
159.02980	3.9
161.03200	1.0
161.04549	19.2
162.04823	0.7
171.55753	0.6
191.05583	0.7
233.06679	1.9
263.14972	100.0
264.15353	5.8
288.14243	0.7
293.08636	1.3
335.20740	9.8
395.19177	85.3
396.19519	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61862	1.4
59.01377	1.6
61.98826	2.0
64.72894	1.6
70.13206	3.4
79.05535	3.3
82.65970	1.6
98.21954	1.6
100.87901	1.6
122.03756	8.3
123.04535	17.2
125.02425	1.7
130.45488	1.4
168.04745	1.7
223.12054	1.5
275.20087	1.9
277.21982	1.7
293.17581	4.4
294.18021	2.4
303.23380	6.7
315.23111	2.5
330.17142	5.3
331.22751	4.6
359.22250	100.0
360.22513	12.2
395.06479	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	395.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
57.03436	2.1
59.01377	100.0
60.01703	0.9
61.98817	0.7
69.03435	0.7
69.15147	1.1
69.15554	3.3
71.01375	25.4
73.02943	15.8
75.00875	0.9
79.64187	0.6
81.03480	0.6
83.01394	6.3
83.97429	0.7
85.02945	14.8
87.00882	1.5
89.02453	5.7
93.64852	0.5
95.01395	1.2
97.02966	1.1
99.00867	4.8
101.02434	31.3
102.02773	0.9
113.02437	9.7
113.03152	1.0
115.04017	1.1
120.17139	0.7
125.02437	1.8
131.03499	1.7
143.03510	1.1
149.04570	0.8
159.02985	2.1
161.04547	11.6
172.62282	0.6
190.62329	0.6
210.56981	0.6
233.66338	0.6
263.14978	43.9
264.15466	3.1
335.20709	16.4
336.20990	1.5
395.19171	39.7
396.19345	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	395.2435
Annotation	Rollicosin
Peak:m/z	Relative Intensity
57.03436	8.0
69.74957	2.1
69.94539	4.1
69.94901	4.4
71.01372	7.9
80.02688	2.2
95.01331	2.5
95.05017	5.0
97.06595	4.2
98.21896	2.4
100.93408	2.1
107.05021	35.9
107.08650	2.3
108.02143	14.0
111.08167	6.5
123.00880	2.5
123.08148	24.9
125.06071	20.6
125.09726	16.7
137.02409	2.9
139.07649	15.1
141.09216	28.6
151.07635	64.1
152.04781	3.9
152.08226	2.5
167.07133	7.2
169.05133	3.2
169.08704	28.2
181.15979	8.0
183.17499	5.0
195.06656	3.0
197.19086	36.9
199.17032	13.7
225.18582	14.6
235.17018	11.0
236.17824	6.5
251.23839	8.0
253.18045	22.2
263.23822	3.9
279.23245	12.1
279.26889	6.9
289.25351	16.9
305.24887	12.3
306.25122	2.2
307.22787	19.8
307.26416	51.8
308.26843	4.4
333.24335	28.7
351.08035	2.2
351.25378	14.5
395.24359	100.0
395.29565	4.9
396.24664	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	395.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09727	31.1
54.62629	27.9
66.55760	29.1
69.66592	100.0
76.40997	34.9
98.22540	36.3
185.74007	31.3
230.86058	30.4
301.46057	33.3
304.26385	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34497	0.7
51.81549	0.7
59.01378	14.8
60.54036	0.6
61.98829	100.0
71.01377	2.5
72.99286	0.9
73.02948	2.4
79.55266	0.7
83.01386	1.1
83.05041	0.8
88.98816	2.2
89.02454	2.0
97.06614	0.9
101.02460	2.9
109.06635	0.6
110.02641	0.7
113.02425	1.2
122.03736	0.7
124.01706	0.7
125.06084	0.7
131.03795	2.8
132.04541	3.0
152.99629	0.9
161.04561	1.7
163.07697	2.2
164.08023	2.7
169.01508	1.0
171.06673	1.1
171.10364	0.7
172.06963	0.8
182.09084	0.7
208.06958	0.8
225.07686	1.7
226.08080	2.8
243.08719	9.4
244.09093	15.6
245.09229	1.3
268.48203	0.7
396.10190	2.4
404.86517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01926	2.1
61.98825	20.3
63.41275	1.6
71.43633	2.0
76.62074	1.6
96.35984	1.7
96.96034	3.5
99.92580	53.2
100.92585	2.3
104.80852	1.8
115.92068	7.3
116.92825	9.2
118.89977	100.0
119.89986	6.5
119.90784	4.0
119.94606	2.0
134.89429	4.7
135.90221	16.0
143.37627	1.8
149.78036	2.2
289.21655	3.2
311.16779	2.6
330.16965	3.3
339.19989	2.2
360.14069	12.3
361.14212	3.0
396.06763	3.2
396.11621	51.0
397.11703	8.1
397.22617	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	396.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01099	10.6
89.11742	0.8
99.39112	0.9
103.30988	0.8
111.00881	1.2
113.44076	0.8
120.09370	0.8
137.99619	1.3
139.00366	0.9
139.04175	0.8
151.14943	4.3
153.10519	0.8
165.54431	0.8
167.14403	40.1
168.14760	1.9
179.14406	1.1
191.14420	73.8
192.14737	4.3
223.11226	1.4
223.13402	23.6
224.13696	1.9
251.12907	9.5
253.14415	13.5
269.13882	9.8
279.12448	2.3
297.13431	5.0
311.14993	100.0
312.15256	7.7
353.26730	0.8
396.12534	2.4
397.13531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00677	0.3
65.01447	9.5
69.79905	0.9
83.56896	0.3
96.95985	1.8
123.00889	0.4
124.01653	0.7
129.07083	0.4
133.01677	1.1
134.03691	0.3
135.84265	0.3
136.01674	0.8
138.03285	0.5
147.04517	0.3
148.05325	0.4
150.03227	0.5
152.01152	0.4
161.01173	29.5
162.01778	0.5
162.03197	4.3
166.02684	0.5
171.14021	0.3
175.02704	0.7
175.04042	0.7
176.04755	1.2
189.00653	1.5
190.06276	0.5
208.62813	0.3
213.16458	0.3
217.05052	0.6
218.05862	1.4
218.19063	2.2
219.17564	2.1
220.17838	0.4
274.18127	0.6
275.16501	16.0
276.16913	1.1
285.15186	0.4
292.16434	0.4
293.17578	3.7
294.17847	0.9
295.18115	0.9
302.17606	27.5
303.15762	11.1
304.16333	0.8
311.17081	0.4
330.17087	100.0
331.17447	8.9
338.16803	0.4
369.18195	1.5
396.19226	4.0
397.23416	1.9
407.85120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98827	100.0
69.67508	2.6
81.03443	2.4
92.92793	1.0
96.96001	2.6
106.15115	1.0
118.89945	2.5
151.00264	1.1
183.01234	1.2
187.70442	0.9
229.65794	0.9
249.18440	1.4
289.21722	5.8
293.17661	1.1
302.17575	1.7
311.16779	1.0
330.17029	3.1
333.20691	27.6
334.21017	3.4
339.19754	0.9
341.88852	0.8
355.98358	0.8
397.22427	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	396.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74575	0.4
57.03439	3.3
61.98826	100.0
65.00311	5.9
66.40015	0.5
69.87601	1.5
81.03470	1.0
83.01402	2.2
88.53944	0.5
122.03793	0.6
123.04539	1.4
125.02438	30.8
127.40009	0.5
167.98871	0.5
186.55495	0.6
223.20628	0.6
240.72513	0.5
247.20705	3.1
289.21664	3.2
311.16980	1.9
333.20670	25.4
334.21072	2.1
334.24503	1.1
366.77142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34991	1.0
52.42227	0.9
57.14937	1.1
61.05148	1.3
61.98807	1.2
65.99837	2.0
66.04787	1.2
68.99802	3.4
70.45279	2.1
71.18739	1.0
80.05061	5.6
93.99347	2.4
94.02972	1.7
95.81226	1.0
96.04554	4.2
98.02498	1.0
102.05555	1.2
107.03789	2.4
108.02168	2.8
108.04551	16.8
109.01686	6.4
110.06101	1.2
110.72864	1.0
111.00904	1.1
120.04560	1.8
122.02480	3.3
122.03715	3.7
123.00862	6.0
124.00376	3.0
124.04027	5.3
128.27289	1.0
135.06900	2.1
136.01662	2.3
136.04047	1.4
138.01968	3.7
151.02715	2.0
152.03468	1.2
153.16609	1.2
164.03462	1.1
165.04358	1.4
167.14418	8.5
179.05875	1.2
181.15941	2.5
190.15993	2.7
193.15927	2.7
195.17520	1.3
207.05347	4.6
208.17058	3.0
221.13945	1.6
221.15738	1.6
222.14978	8.9
223.13411	5.9
223.17003	3.9
232.20650	3.5
234.18526	1.5
235.13406	6.9
236.16498	1.4
237.14825	2.3
248.20166	19.0
249.13629	2.4
249.18538	11.7
249.20682	1.3
250.14435	17.6
250.18785	1.5
251.15160	2.7
265.18021	1.6
269.13968	2.5
274.18112	4.3
276.19656	61.7
277.20056	3.2
278.13770	1.2
278.17712	1.4
292.19180	17.2
293.19598	1.2
306.20880	1.8
308.22287	8.9
309.17023	1.6
310.16626	15.0
320.18646	100.0
321.18982	8.7
334.20270	3.7
336.18207	6.5
364.17688	14.4
365.17822	1.8
378.19214	2.3
396.20251	82.1
397.20557	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	396.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67584	1.2
59.01366	2.3
61.98829	100.0
71.12582	1.7
74.89533	1.6
85.48106	1.4
116.92879	1.5
119.17530	1.4
126.70032	1.7
198.30243	1.7
205.42732	1.7
217.00340	1.8
257.11307	1.4
333.96112	1.9
396.24701	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	396.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55779	2.0
59.01367	2.6
61.98828	100.0
65.29327	1.6
69.48246	6.0
70.93657	2.4
80.38397	1.9
83.99135	2.0
155.72667	1.9
161.79782	1.9
183.01093	2.8
201.51501	1.9
279.16025	2.2
311.17004	2.3
321.20462	2.3
363.24072	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	396.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	77.0
65.84762	27.0
79.45950	26.7
99.92607	41.5
115.91154	26.0
115.92030	42.8
116.92898	43.7
118.89978	100.0
175.00490	27.7
215.15816	29.2
311.16782	44.9
311.37857	31.8
330.17004	37.1
339.19864	46.0
360.00372	31.1
396.11551	47.1
397.22934	52.1
402.31381	30.1
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
56.94468	26.2
59.01365	40.4
69.64852	100.0
73.86691	22.7
85.62451	21.6
96.95956	31.7
109.58131	24.7
125.18457	27.8
213.38293	24.7
236.99681	31.6
392.24533	24.7
396.25180	27.6
397.22397	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74217	1.5
55.36958	1.4
56.72116	1.3
57.37774	1.4
59.01372	3.7
65.00327	3.4
71.01370	4.1
71.46956	1.3
73.38229	1.6
79.95721	4.8
80.96474	1.9
83.01432	1.5
84.95114	18.1
93.03416	2.4
96.96010	49.6
97.02937	3.1
99.64642	1.4
121.02930	5.3
123.04536	9.2
124.01649	30.2
125.02436	3.0
137.02403	3.9
139.04008	100.0
140.04385	1.8
149.02448	29.7
150.03185	2.6
151.00317	4.2
151.04024	8.4
152.01199	1.7
163.00374	3.6
163.07716	2.7
164.01140	2.0
165.01918	33.8
167.03432	5.5
173.06006	1.7
175.04050	2.1
175.07774	1.6
177.01894	4.5
178.99852	6.8
183.03041	2.3
187.03876	1.8
189.05566	1.5
190.06358	1.6
191.07172	1.7
193.01404	52.0
194.01907	2.5
195.03081	3.2
199.03877	2.1
201.01930	1.8
206.99278	1.8
215.03412	3.2
215.07222	1.5
230.99648	1.6
231.02975	3.5
235.06094	6.4
240.04236	2.7
257.04535	4.0
259.02454	1.7
263.12823	1.6
285.03967	3.7
289.07162	5.7
299.05530	18.7
315.04959	2.2
317.06650	90.8
318.06955	8.8
353.12140	2.2
361.39441	1.5
397.01822	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	397.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12490	0.7
61.28912	0.7
61.98831	3.4
65.00311	3.4
68.93441	0.6
69.21500	3.3
79.95737	6.4
80.96508	1.9
89.00320	1.4
93.03453	1.8
96.96014	100.0
97.02934	4.0
108.09210	0.7
108.22765	0.7
109.02943	1.1
121.02946	6.1
123.04535	10.9
124.01661	25.9
137.02393	1.0
139.04016	83.7
140.04373	3.6
144.97020	0.7
149.02448	28.2
149.99582	1.4
150.03175	2.5
151.00352	3.7
151.04039	4.2
152.01129	2.1
155.67172	0.7
160.01666	1.6
165.01938	30.2
166.02336	0.9
167.03482	5.7
176.01035	0.9
177.01906	6.0
178.99886	5.5
180.00620	1.8
183.02841	0.8
193.01419	43.4
194.01965	2.5
195.02994	4.5
199.04074	1.4
230.99608	1.9
240.04303	2.7
241.04915	1.4
255.06824	0.7
256.03668	1.4
257.04608	5.1
258.05109	1.0
273.07648	1.4
284.03171	0.8
285.04166	3.4
289.07196	5.9
299.05591	14.5
300.06210	1.1
315.05188	3.2
317.06662	91.5
318.06982	7.0
392.24973	0.8
397.02310	20.5
398.02673	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	397.0924
Annotation	Lavendamycin
Peak:m/z	Relative Intensity
57.03437	6.5
57.19905	1.4
59.01368	4.2
61.98820	3.3
68.99807	2.3
71.01374	4.6
78.95897	2.9
94.57465	1.5
96.31752	1.4
104.21400	1.4
117.21112	1.5
124.01657	5.5
125.02441	100.0
126.02838	2.3
133.03026	1.7
142.60426	1.4
152.99585	2.0
158.06334	1.5
173.02422	2.2
174.03294	1.7
177.01898	3.2
189.01939	3.3
200.01172	2.2
201.01930	4.3
202.02728	2.6
212.04677	1.7
215.03357	2.9
215.07164	1.8
217.01454	22.2
218.01784	2.2
219.06506	1.8
227.03499	1.9
227.07104	2.7
228.00629	6.4
228.04295	1.6
229.01410	4.3
230.02164	11.3
235.23820	1.8
239.03526	2.5
243.03001	3.6
243.06676	5.5
244.03714	2.0
253.05180	2.8
256.03622	7.4
259.06088	4.3
268.03717	15.7
271.06125	25.1
272.06290	2.3
281.04459	2.4
282.05261	3.3
283.09760	3.4
293.08340	2.0
307.09564	2.1
310.04843	6.8
311.09186	4.2
326.04150	3.7
351.08752	1.9
353.10303	5.2
354.03821	26.8
355.04132	1.8
397.09253	49.4
398.09885	3.6
406.12061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92021	0.7
61.98817	0.9
69.27103	2.7
71.82021	0.7
77.87216	0.7
78.01102	12.4
110.00089	0.8
111.00901	1.2
115.33045	0.8
123.00892	5.1
144.14532	0.8
152.12303	0.7
161.43761	0.8
163.94023	0.8
179.18063	2.8
193.08716	0.8
193.16023	1.6
195.17525	35.2
196.17906	2.0
203.79553	0.8
219.17522	63.5
220.17870	5.0
251.16504	20.9
252.16985	2.4
253.60025	0.7
279.16049	3.9
279.24881	0.7
280.16528	1.0
296.21323	0.8
297.17035	7.3
307.15515	0.9
310.95587	0.7
321.20798	5.8
333.57083	0.8
339.18094	100.0
340.18491	8.5
342.92566	0.8
365.19641	1.8
397.14005	2.8
397.22089	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	397.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54398	0.8
57.91854	0.6
59.01351	0.7
63.05629	0.7
67.26296	0.6
67.53765	0.8
70.00785	0.6
70.30116	1.2
70.30428	1.0
73.43924	0.7
78.01109	6.9
82.07112	0.6
96.99311	1.0
99.92604	1.1
116.92816	0.8
125.99590	5.8
137.99583	3.9
139.00351	4.0
140.01129	0.8
148.13806	0.9
151.14929	1.3
152.99487	0.8
167.14404	7.0
169.16017	1.8
187.87192	0.8
191.14409	18.2
192.14752	3.1
197.15601	1.0
223.13353	5.2
239.12776	1.0
251.12868	19.8
252.13269	2.0
253.14438	100.0
254.14818	6.7
279.12390	8.7
280.12640	0.9
294.20654	2.9
297.13416	44.0
298.13660	3.4
312.15540	2.2
336.51508	0.9
340.28546	0.8
353.03848	1.3
380.34583	0.8
405.75571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43003	0.1
59.01377	2.4
61.98824	0.1
67.16928	0.1
69.25554	0.6
71.01388	0.2
73.02941	0.2
99.64082	0.1
101.02451	0.2
118.43513	0.1
121.02896	0.1
122.03735	27.0
123.04050	0.9
135.04520	2.6
136.05298	1.8
149.06097	1.0
150.06923	0.1
150.92429	0.1
154.02631	0.2
163.07652	0.9
177.09210	0.2
177.93414	0.1
178.09979	18.7
179.10341	0.7
179.28981	0.1
183.33733	0.1
193.12320	100.0
194.12653	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	397.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17346	11.8
69.40038	49.6
93.80817	11.4
95.80209	11.8
96.96001	24.8
97.27190	10.6
111.48289	10.4
163.11279	100.0
168.80093	13.9
191.93498	11.7
215.89964	13.1
232.08589	12.6
243.68161	12.4
290.28830	12.9
308.07227	12.3
337.21967	14.3
339.23303	61.4
340.23938	14.7
397.22318	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	397.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44960	1.2
51.24299	1.2
59.01369	2.6
61.98841	2.1
69.44620	4.9
79.05542	2.7
97.02923	2.2
107.05047	2.1
111.04482	1.9
115.47270	1.2
122.03738	2.6
123.04526	12.5
125.06098	1.6
136.05286	1.3
137.02400	2.1
138.03207	1.8
151.04001	4.0
153.05577	9.7
153.97652	1.2
177.09204	1.9
217.00279	2.6
231.37157	1.5
321.20596	2.3
333.20724	2.7
333.24405	3.8
343.22708	3.1
355.03583	1.1
355.18866	3.3
361.23822	100.0
362.24158	11.1
397.24115	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	397.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98059	0.2
55.01878	37.8
56.02230	0.3
57.06042	0.3
62.93414	0.3
69.03473	0.4
71.05022	0.4
71.06871	0.4
85.02951	0.9
99.00880	14.5
127.00374	100.0
128.00719	2.5
160.03386	0.3
221.19022	1.6
237.22304	1.4
239.16704	0.3
265.21695	3.2
277.21680	0.9
293.17569	1.8
293.21182	2.9
294.17896	0.3
294.21326	0.5
297.00113	0.3
320.19931	0.4
321.20737	5.0
322.21042	0.9
353.41724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24517	0.3
51.93634	0.4
55.01845	1.4
57.03411	1.1
58.96185	0.4
59.01367	0.5
60.03731	0.4
63.74578	0.4
69.03446	0.6
69.28722	2.1
71.01379	0.4
81.03432	0.9
83.05006	2.5
95.05023	0.5
97.06583	5.7
99.08114	1.1
111.08149	4.7
113.09721	0.7
125.09647	0.7
139.11244	0.8
153.01938	2.8
167.14378	0.5
183.33011	0.4
203.18079	0.7
219.17493	1.0
221.19087	70.4
222.19409	4.9
223.20607	0.7
230.51208	0.4
237.22238	3.9
237.86217	0.4
251.20134	1.5
265.18167	1.8
265.21722	9.1
266.22137	0.9
273.77994	0.5
277.18103	1.0
277.21698	1.5
283.97931	0.4
291.23303	0.9
293.17593	100.0
293.21176	7.2
294.17920	7.8
294.21259	0.4
320.19806	0.9
321.20676	14.7
322.21017	1.3
337.20316	0.9
355.04108	1.7
363.65588	0.5
397.22311	5.1
398.22974	0.4
413.23181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01376	3.7
60.37318	0.3
60.91595	0.4
61.98830	100.0
69.37063	1.8
71.01394	1.3
73.02943	1.1
83.01403	0.4
89.02482	1.1
95.01440	0.4
96.95999	2.9
98.22622	0.9
99.60851	0.3
101.02464	1.1
109.02979	0.5
110.79331	0.4
113.02460	0.9
121.02967	0.7
123.04550	0.6
124.01673	0.7
125.02454	10.7
137.02440	2.4
137.06163	0.5
139.04033	1.6
140.04378	0.7
144.57480	0.4
149.02496	0.8
151.04083	0.7
154.36467	0.4
162.03261	1.5
165.01920	1.7
177.01930	7.8
177.05565	3.4
178.02403	0.4
178.06384	0.9
193.01430	0.7
193.05090	0.5
193.08693	2.5
194.01889	0.5
215.03561	0.4
219.06636	0.4
237.07722	3.1
259.06100	0.6
303.05029	1.7
318.06985	1.9
323.15070	0.5
335.07751	2.8
399.13351	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	398.1318
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
55.86379	0.6
69.69017	1.5
85.70187	0.6
97.93108	0.6
99.92580	66.5
100.92577	2.7
100.93343	2.7
103.33971	0.6
110.95465	0.8
115.41130	0.6
115.92062	9.7
116.92072	0.8
116.92853	10.6
118.89972	100.0
119.89976	3.8
119.90713	4.1
125.23617	0.6
134.89455	6.1
135.90247	20.8
136.90337	0.8
141.93690	1.5
150.88963	1.8
158.83232	0.7
264.91476	0.6
333.20694	12.1
334.21042	1.4
358.79041	0.7
362.15536	12.7
363.15741	1.9
398.13187	67.0
399.13385	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	398.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.3
59.01377	100.0
65.23235	10.4
65.51778	11.3
71.01375	89.9
71.46233	11.7
73.02921	18.1
83.01355	12.9
85.02937	36.2
89.02431	44.2
101.02445	62.5
113.02414	41.4
119.03503	18.8
137.00671	79.1
143.55139	13.2
161.04567	37.7
204.63974	11.6
216.06573	14.2
297.16684	10.7
327.60062	13.5
369.69360	11.0
399.19925	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	398.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56661	0.8
71.14301	1.0
95.01377	3.6
96.02189	1.0
109.02941	1.7
110.00117	2.2
123.00887	31.7
124.01688	2.1
137.02449	11.1
151.00392	2.3
151.03998	1.3
165.01913	14.5
165.09201	1.0
166.02390	0.9
173.83813	0.8
179.07135	1.5
193.08644	4.7
199.12675	1.0
221.08211	1.9
235.72960	1.1
247.13374	2.6
261.14893	1.0
290.18759	3.1
305.21240	1.8
318.18326	7.5
319.18658	1.2
333.20697	100.0
334.21075	9.1
351.59857	0.8
398.19379	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	398.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64155	0.8
66.90720	0.8
69.37720	1.7
69.38107	1.9
88.52193	0.8
109.02943	1.7
110.03737	2.1
110.57535	0.8
137.02419	2.3
138.03233	6.1
142.02766	1.1
166.02710	4.4
179.03474	5.8
180.04231	1.4
191.06949	0.9
193.05046	2.9
202.04933	0.8
220.48991	1.0
235.09804	1.1
236.10410	1.4
305.21198	6.0
333.20679	100.0
334.20999	8.8
355.18933	2.5
398.19418	10.1
399.19937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00315	1.5
59.01352	2.9
69.68929	5.9
74.11744	1.7
75.92088	1.5
85.06577	6.8
87.00871	2.3
96.95988	5.0
98.21986	2.5
118.03014	2.6
122.03739	2.5
123.04469	2.5
131.01651	1.7
134.02473	3.3
136.04010	4.5
136.05215	2.3
138.03189	2.3
146.02470	5.6
151.04059	2.7
160.03990	2.1
162.05661	1.9
164.03468	2.3
174.05571	1.6
178.05104	2.6
204.10342	2.6
232.13484	2.4
234.11276	2.0
260.12891	8.0
260.83261	2.0
261.13092	2.0
265.14407	2.4
266.13919	1.9
276.12207	2.3
277.13199	14.0
278.13855	9.2
293.17490	4.3
294.13458	100.0
295.13736	7.1
309.20651	2.8
323.22324	2.3
338.19565	2.1
351.21756	9.6
355.22867	4.1
356.20789	2.9
362.24301	1.7
368.21887	2.5
380.20767	36.6
381.21222	2.2
398.10114	3.5
398.21844	38.4
399.25491	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	398.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80197	0.7
59.40598	0.6
60.46368	0.8
61.98827	100.0
65.90537	0.7
70.67934	0.9
81.03462	2.3
99.92592	0.7
125.02477	1.2
138.03200	0.9
166.02647	0.9
179.03586	1.6
217.96283	0.6
251.20239	1.4
291.23288	6.3
317.21597	0.7
319.52332	0.8
333.20691	19.1
334.21033	1.5
335.22272	23.5
336.22610	2.6
355.18671	0.8
395.54245	0.7
398.19186	1.4
399.25674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32762	0.4
61.98827	100.0
69.70924	1.3
98.22569	0.6
139.08748	0.4
152.00964	0.3
222.84869	0.5
235.92955	0.4
276.51083	0.4
369.11703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27346	1.8
66.63054	2.1
69.54919	8.4
75.21324	1.9
76.93454	2.0
95.01387	5.0
123.00874	36.0
124.01591	3.0
137.02423	14.0
151.00392	2.5
165.01915	13.5
193.08659	3.7
221.07906	2.4
247.13400	3.1
291.44131	2.0
318.18399	6.1
333.20691	100.0
334.21014	8.0
355.26346	11.5
398.19397	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	398.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69973	27.1
51.69885	32.7
56.95118	29.3
57.54008	31.5
66.03581	27.4
69.43468	100.0
118.89926	54.6
202.56448	33.8
242.88832	32.0
282.56757	28.6
285.00629	36.5
333.20728	59.6
398.13187	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0718
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
57.03424	1.3
59.01353	1.7
61.98829	3.9
69.31506	2.2
71.01363	1.1
73.12197	0.4
81.03432	0.6
83.01376	1.0
89.02419	1.5
95.01388	0.4
95.05099	0.5
97.02937	1.5
98.22625	0.8
101.02396	0.6
109.02931	1.8
109.81570	0.5
113.02448	0.6
117.03487	0.5
119.03500	0.6
119.04992	0.5
121.02946	1.3
121.06560	1.0
123.04496	1.1
125.02439	7.0
131.05013	2.1
133.06567	1.4
133.10236	0.7
134.20905	0.5
135.04504	0.5
135.08174	0.6
137.02438	5.6
138.03140	0.5
143.05022	0.8
143.06041	0.5
144.27455	0.5
145.02921	0.6
147.04523	0.7
149.06053	1.5
151.03976	0.7
151.07643	1.3
151.11243	1.7
159.04515	8.3
160.04947	0.8
161.06029	1.3
165.01915	10.0
166.02538	0.6
167.03499	0.8
171.04488	0.7
173.02405	0.5
174.03300	0.6
175.04042	2.5
175.11249	1.8
177.01933	0.7
177.05521	1.2
177.09190	4.3
178.06235	0.7
179.03548	1.1
179.07106	0.6
187.03990	40.9
188.04587	3.9
189.01837	0.7
189.05525	2.6
190.02649	1.6
191.03506	1.1
193.01392	1.4
193.12270	0.8
195.06483	0.9
199.04025	0.8
201.09093	0.6
202.44266	0.4
203.03474	6.5
204.04276	3.3
205.05040	19.2
205.06987	1.0
206.05420	0.8
207.02983	5.1
215.03481	14.2
216.04018	0.7
217.05069	1.2
218.02225	0.8
219.02945	2.0
219.10251	17.9
220.10504	0.6
227.03500	2.1
231.02995	4.6
232.03648	2.7
233.04535	100.0
234.04839	4.8
235.13403	1.3
236.13757	2.4
237.11311	40.3
237.14999	1.7
238.11642	1.9
243.03070	1.0
245.04558	3.5
249.05428	0.5
251.98770	0.6
255.02885	2.6
256.03610	0.6
259.02469	1.5
260.03204	2.0
261.04019	18.9
267.06589	0.7
269.04431	0.8
270.05276	0.6
271.06155	1.2
273.04010	6.2
279.44855	0.5
281.08191	0.5
285.07593	0.8
293.04846	0.5
294.05215	0.6
295.06100	2.0
297.04193	0.6
309.07608	1.0
313.07147	2.4
315.04929	0.9
327.08728	0.6
337.07184	1.6
350.28934	0.5
355.08224	2.3
381.06140	4.2
382.06284	0.8
399.07193	38.7
399.16129	7.6
400.07535	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	399.0719
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
57.03466	1.6
59.01376	12.1
60.21740	0.8
60.44672	0.8
61.98829	4.3
63.86699	0.8
69.46893	3.4
69.60359	0.8
71.01374	10.2
73.02945	3.0
79.54562	0.8
83.01383	3.1
85.02952	5.3
87.00868	1.7
89.02435	3.7
95.01374	0.9
97.02937	2.1
101.02459	5.3
106.04182	0.9
107.04994	0.7
108.02177	15.2
109.02969	7.5
110.26610	0.9
113.02451	3.1
119.03500	1.9
119.05055	1.2
123.04520	0.9
125.02441	7.3
131.05020	2.5
133.06578	1.2
134.03734	0.9
135.04486	0.9
136.05260	2.3
137.02428	7.0
138.03212	1.0
139.03993	1.1
149.06062	2.0
149.09721	2.7
151.07681	6.4
152.01144	26.6
153.01862	1.3
153.09268	1.4
158.61476	0.9
159.03149	1.1
159.04518	10.7
160.05154	0.9
161.04662	1.7
161.06020	2.3
163.04044	1.8
165.01936	10.1
171.04443	1.4
175.03958	2.5
177.05528	1.7
177.09204	8.4
179.10776	6.8
187.03986	42.0
188.04509	3.4
189.05554	3.2
190.02708	1.6
191.10817	1.0
192.11012	1.3
193.08678	1.2
195.10231	8.0
199.03937	1.5
203.03528	6.2
204.04237	3.2
205.05037	21.5
206.05382	1.0
207.02975	5.8
213.14308	0.8
215.03510	14.5
216.03929	1.5
217.04942	1.8
219.02968	2.8
219.10234	1.1
227.03503	2.8
231.03006	5.3
232.03676	2.6
233.04535	100.0
234.04889	5.1
237.11403	5.2
237.14908	10.2
243.03088	1.4
245.04570	2.5
255.02917	4.2
259.02530	1.8
260.03201	2.0
261.04034	19.2
262.04401	1.1
271.06052	1.3
273.04092	6.4
294.05151	1.1
295.05978	2.1
313.07111	2.8
337.07205	1.5
339.14493	6.2
353.06430	1.1
355.07846	3.9
357.15540	11.0
381.06378	4.2
399.07501	33.2
399.16406	8.5
399.20816	13.3
400.07529	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	399.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01721	0.9
66.27876	0.5
71.01369	2.5
73.02954	1.0
73.20440	0.5
83.01381	1.0
85.02968	0.7
87.00864	0.8
89.02445	0.6
95.01411	0.6
96.96014	0.8
100.02561	0.4
101.02454	1.8
108.02176	7.1
109.02957	3.4
111.00896	2.2
113.02448	0.8
119.03520	0.6
124.01662	1.5
133.13676	0.5
133.14851	0.5
139.07758	0.5
152.01135	4.3
153.01923	4.3
159.03075	0.6
161.04605	1.6
175.07674	0.8
177.05530	0.6
219.06633	1.3
251.11316	1.2
269.10364	1.2
311.15161	0.9
399.12833	16.8
399.20840	0.6
400.13245	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	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78290	0.3
57.03432	0.3
59.01372	1.1
71.01384	0.4
73.02956	0.5
85.02940	0.3
85.06589	0.2
96.96002	0.5
109.02919	2.3
113.02435	0.3
116.91556	0.2
124.01665	0.5
125.02445	1.1
135.04529	0.3
137.02441	21.3
138.02802	0.7
149.02443	0.4
149.05989	0.3
161.02438	0.5
163.04088	0.4
166.02711	0.6
177.05582	0.7
178.06345	100.0
179.06673	4.9
193.08682	33.0
194.08998	1.6
204.04233	0.3
219.06656	0.6
222.05338	2.9
230.66483	0.2
237.07668	55.4
237.11047	3.1
238.08006	3.3
244.60167	0.3
269.87967	0.3
279.08676	0.3
298.96848	0.3
337.20209	0.3
355.13858	0.5
355.21350	0.6
359.85403	0.3
399.12894	12.5
400.13196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82987	0.3
59.01379	1.0
62.55244	0.3
69.20522	1.0
69.20931	0.6
71.01397	0.3
74.35946	0.3
80.58135	0.2
96.96003	1.0
101.02435	0.4
109.02969	1.5
120.82244	0.3
121.02933	0.5
123.04617	0.3
126.90508	0.3
135.04535	0.4
137.02443	20.0
138.02759	0.7
149.02432	0.3
151.00381	0.6
159.04471	0.3
162.03323	0.3
163.03990	0.5
177.05556	0.9
178.06349	100.0
178.99823	1.2
179.03473	0.8
179.06680	4.1
191.03525	0.3
193.08694	28.8
194.08994	1.4
195.06511	0.4
195.10274	0.6
219.10284	0.5
221.04478	0.3
222.05336	6.9
223.05789	0.3
237.07675	67.1
238.08032	4.1
270.74731	0.3
293.51306	0.3
375.51712	0.3
399.12909	6.4
400.13257	0.7
403.34213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1295
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
51.34075	0.5
71.01392	4.1
73.02919	0.8
76.34481	0.6
85.02935	1.7
89.02430	1.3
95.01394	1.4
101.02422	2.2
105.07050	1.1
107.05025	1.5
108.02166	2.1
109.02932	1.2
113.02444	1.8
121.02922	0.7
121.06583	0.9
125.02451	4.0
131.05063	1.3
133.06573	1.0
135.04524	2.5
136.01662	4.8
137.02458	8.4
139.04010	1.1
149.02463	1.3
149.06068	14.4
151.03998	2.8
151.07629	0.8
159.04492	7.6
160.05202	0.8
161.02417	1.1
161.04593	0.9
161.06030	0.8
162.03218	1.3
163.07651	1.1
165.01913	1.5
167.03540	1.8
169.01381	2.0
175.04036	1.2
175.07645	2.0
176.04774	0.9
177.02075	2.1
177.05569	76.5
178.06346	65.5
178.08022	0.9
179.03514	1.1
179.06721	2.9
191.07089	5.8
192.07906	17.7
193.05128	3.3
193.08687	93.1
194.09009	3.8
203.07097	2.1
205.08665	1.5
217.08653	1.3
220.07307	2.9
221.04547	81.8
222.04860	4.0
235.06093	2.0
235.09740	6.9
236.06885	100.0
237.07651	67.5
238.08066	4.1
247.09746	1.2
249.07635	0.7
261.07684	1.1
269.53659	0.6
279.08664	4.6
303.05005	1.7
316.13580	0.7
355.13913	3.4
389.54123	0.7
399.12982	24.1
400.13342	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	399.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
58.43591	0.3
59.01360	1.4
61.98800	0.5
69.56930	1.2
71.04995	0.5
82.23281	0.3
85.02936	0.6
96.32018	0.3
96.96001	0.5
98.95596	0.8
101.02433	0.6
108.70886	0.4
109.02987	0.5
109.06591	1.4
111.04520	0.4
121.02924	1.0
122.03747	0.6
123.04545	2.9
124.01672	1.0
131.08574	0.4
136.05324	1.0
137.02419	1.0
137.06085	3.1
137.09679	0.5
138.03215	8.9
139.04015	8.4
146.03746	0.5
147.08134	1.1
149.06096	0.6
149.09691	0.8
150.03174	0.7
151.04008	7.9
152.04793	16.2
153.05147	0.7
160.05287	1.4
163.07678	0.7
164.04790	17.0
165.01862	0.5
165.05461	1.3
165.09167	4.6
166.02719	0.5
166.09505	0.5
167.03445	0.8
175.07628	9.4
176.08035	0.5
177.05574	5.1
178.06335	5.8
191.07115	1.4
192.07883	1.3
193.08687	100.0
194.09015	5.3
219.06619	1.3
219.36380	0.5
235.06099	0.7
236.06717	1.6
237.07669	88.5
238.07965	4.8
279.08646	0.7
317.06699	0.7
319.07346	0.6
363.16486	0.5
399.12964	31.2
400.13132	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	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81625	0.5
55.01868	0.6
56.09764	0.5
56.53126	0.5
59.01357	1.1
60.96334	0.5
61.98820	0.6
69.71754	1.9
69.84426	0.5
71.01374	3.7
73.02922	1.3
74.33713	0.5
85.02942	2.3
89.90353	0.6
96.96028	1.4
101.02422	1.9
108.02184	2.0
113.02439	2.4
121.02964	0.6
123.04518	1.3
125.02440	1.0
136.01653	8.9
137.02440	7.9
139.04010	0.7
141.25957	0.5
144.53267	0.5
149.06068	7.5
151.03955	1.6
151.07634	4.7
159.04425	0.6
160.05292	0.7
161.04536	2.5
161.05836	0.6
162.03259	1.2
165.01895	1.4
175.07603	1.0
177.02249	3.4
177.05560	100.0
178.06339	62.6
178.08043	1.0
179.06796	3.0
180.04303	0.8
191.07074	4.0
192.07912	41.5
193.08676	75.2
194.09021	4.7
195.06601	2.5
205.08748	0.7
215.07491	0.6
220.07330	0.8
221.04529	2.1
222.05392	1.7
233.08096	0.8
235.09763	2.3
236.06816	2.0
237.07669	68.5
238.07959	4.6
247.09740	0.9
300.08862	0.6
343.86850	0.6
355.13950	9.1
356.14325	0.8
399.12973	35.1
400.13351	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
69.47613	0.5
71.01387	0.9
85.02962	0.4
89.02449	0.3
92.80741	0.2
101.02458	0.5
113.02435	0.3
136.05298	2.5
137.02457	0.2
149.06068	1.7
161.09718	2.8
163.07640	0.7
163.11305	0.4
176.08463	0.2
177.09149	0.2
178.09956	2.2
189.05635	0.2
193.12328	0.6
204.07909	3.0
205.08665	2.3
219.10243	13.0
220.10602	0.7
222.09056	0.2
237.11307	100.0
238.11650	6.5
238.13618	0.1
251.12921	0.2
271.98474	0.2
279.12363	0.2
361.18484	0.2
397.43655	0.2
399.16461	17.2
400.16708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42999	0.4
51.11007	0.4
57.03446	1.0
59.01380	6.2
61.98816	1.6
62.35577	0.4
62.35915	0.4
69.21407	2.1
71.01377	1.9
72.80453	0.4
73.02934	1.2
75.00871	1.1
77.27614	0.4
78.95954	0.4
83.01379	0.9
85.02940	2.2
97.02940	0.4
101.02449	0.8
102.31422	0.4
107.05017	0.7
108.02147	0.7
109.02951	0.4
113.02465	0.5
121.02985	0.6
123.04506	0.7
123.08163	0.5
124.01565	0.6
125.02413	0.5
129.01929	1.4
133.06599	0.5
134.03635	0.6
135.04480	0.5
136.05412	0.5
137.06093	0.8
147.04570	0.6
149.06070	0.9
149.09735	0.6
150.06842	0.9
151.04025	2.4
151.07693	2.4
152.99622	0.5
159.04521	0.6
161.04541	0.4
162.30461	0.4
165.05550	1.1
165.09222	1.8
169.06122	0.4
171.10258	1.4
173.06097	0.9
175.07666	1.7
175.11325	0.6
176.04726	2.3
176.08339	0.9
177.05566	9.6
177.09195	10.9
178.06290	1.5
178.09525	0.5
179.07152	1.6
180.04539	0.5
189.05569	1.2
191.07132	7.6
191.10773	11.2
192.07823	0.9
192.11005	0.4
193.08690	11.0
194.09149	0.4
195.10239	0.6
203.07166	1.4
204.07988	0.9
207.06590	1.0
207.10149	0.6
209.11874	1.2
219.06609	0.6
219.10277	1.7
221.08185	14.7
222.08977	4.7
223.09419	0.5
235.09763	0.5
236.10518	26.2
237.11293	26.0
238.11621	1.0
251.11391	1.4
252.09985	0.9
278.38461	0.5
279.08762	0.8
288.07614	0.7
311.14993	0.9
367.13962	1.0
399.16580	100.0
400.16922	10.2
407.25690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01366	0.9
61.98816	0.4
66.69210	0.3
69.43464	1.0
74.55090	0.2
79.05524	0.3
81.03445	0.9
83.04996	0.6
85.02937	0.4
98.04510	0.3
101.02399	0.6
108.50692	0.2
109.02917	0.7
121.06573	0.6
122.03709	0.4
123.04512	1.3
125.02443	1.2
131.05022	0.3
133.06554	0.3
133.10193	0.7
135.04568	0.3
135.08162	1.2
137.02440	0.9
149.13388	0.4
151.07672	0.3
151.11270	4.3
159.04488	0.9
163.07651	0.3
165.01912	1.1
175.11267	5.8
176.11693	0.3
177.09196	8.5
178.09500	0.4
187.04015	3.9
188.04535	0.3
189.05505	0.3
193.12337	2.2
201.09230	1.7
203.03589	0.4
205.05112	1.2
207.02994	0.4
215.03513	0.9
219.10251	48.1
220.10591	2.7
231.03026	0.3
233.04539	9.4
234.04802	0.4
237.11307	100.0
238.11649	6.1
245.04546	0.5
251.13029	0.5
261.03958	1.9
261.11334	0.5
273.04047	0.6
279.12466	0.5
295.05969	0.3
339.14291	0.5
355.08066	0.4
381.06265	0.5
390.93787	0.3
399.07938	3.4
399.16559	20.3
400.07849	0.4
400.16974	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51378	0.4
59.01376	100.0
60.01732	0.6
69.19556	2.4
71.01392	2.2
73.02940	0.7
74.47098	0.4
74.75291	0.4
75.97916	0.4
85.02964	1.3
87.00897	0.6
89.02442	0.8
101.02450	1.6
113.02488	1.1
125.91140	0.4
126.07407	0.5
137.02428	0.6
161.04567	0.8
166.36125	0.4
174.38887	0.5
237.11269	1.0
243.12381	0.5
244.38373	0.4
303.89633	0.4
352.90186	0.4
363.20374	0.8
370.10492	0.7
399.11374	0.6
399.16489	1.3
399.20706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43158	0.3
59.01365	0.9
60.49903	0.4
64.67369	0.3
69.35236	1.6
69.70055	0.3
71.01356	0.7
73.76520	0.4
81.03429	1.3
85.02947	0.3
101.02396	0.4
109.02924	0.7
113.02391	0.4
121.06561	0.9
122.03738	0.5
123.04507	1.4
125.02412	0.9
128.05791	0.3
133.06554	0.5
133.10226	1.1
135.04547	0.4
135.08179	1.1
137.02409	0.8
149.13396	0.4
151.11278	4.8
152.11639	0.3
153.01942	0.5
158.03844	0.4
163.07631	0.5
173.05968	0.4
175.11288	5.8
177.09209	10.0
178.09508	0.7
187.03987	2.6
193.12267	2.0
195.10214	0.7
201.09172	2.6
205.05029	1.2
215.03548	0.9
219.10248	50.0
220.10593	2.9
231.02914	0.4
233.04565	5.6
237.11310	100.0
238.11656	5.2
245.04575	0.5
251.12740	0.3
261.04056	1.1
261.11438	0.6
279.12485	0.6
304.69080	0.3
339.14349	1.1
342.39752	0.3
357.15463	0.5
399.07196	2.2
399.16583	21.2
400.16742	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	399.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66383	1.4
59.01356	1.9
70.02477	1.7
70.02800	2.6
72.99304	1.5
78.01106	11.8
79.91804	1.6
83.04996	2.7
110.00061	1.8
112.01669	1.7
121.30116	1.4
124.98764	1.6
130.98195	1.3
137.99554	9.0
152.01202	2.8
179.18033	3.3
193.15993	4.7
195.17522	83.0
196.17853	5.0
197.19090	6.8
207.17561	2.7
219.17534	51.8
219.19696	2.7
220.17891	3.3
225.18706	4.3
237.18742	1.9
239.16490	1.7
251.16527	50.2
251.19150	2.6
252.16829	3.4
253.18076	21.8
254.18529	2.3
279.16000	49.9
279.19098	2.4
280.16321	2.6
281.17554	39.9
282.18042	1.9
297.17038	27.1
298.17645	1.8
307.15491	44.2
308.15811	2.5
325.16422	2.6
363.36392	1.6
371.20587	5.7
399.20230	100.0
400.20572	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	399.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	2.1
71.12143	1.4
74.91711	1.4
78.01104	9.3
80.32058	1.4
80.83231	1.4
91.31572	1.6
124.98796	4.1
137.99573	6.2
152.01181	2.2
179.18039	3.2
193.16006	3.6
195.17526	70.2
196.17821	5.2
197.19080	4.5
207.17441	1.7
219.17523	43.7
225.18646	2.7
239.16502	2.1
241.17931	1.7
251.16498	47.8
252.16858	3.4
253.18065	17.8
254.18211	1.9
258.35519	1.7
263.16248	1.9
279.16010	43.8
280.16394	4.6
281.17542	36.0
282.17932	3.4
297.17053	16.4
307.15494	35.8
308.15775	2.7
325.16547	2.9
339.18146	10.4
371.20691	5.3
399.20215	100.0
400.20621	10.9
411.58362	1.6
414.56293	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	399.2022
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
55.01878	2.5
57.03441	1.6
58.00588	0.3
59.01378	12.3
68.99773	0.3
69.18075	1.4
71.01380	7.2
71.05016	1.2
72.43366	0.2
72.99290	0.7
73.02556	0.3
73.02943	4.2
82.10413	0.2
83.01385	3.0
85.02948	5.0
86.00091	1.0
87.00881	1.1
89.02430	1.1
95.01382	0.9
95.05009	1.0
97.02951	0.3
97.14020	0.2
98.21842	0.5
99.00859	0.9
101.02441	6.3
108.02184	1.2
109.02925	0.6
111.00871	2.2
113.02457	2.3
123.08109	0.3
125.02420	0.3
129.01945	0.5
134.70471	0.2
135.11786	0.3
136.05280	0.9
137.06067	0.6
141.01930	0.4
149.06042	0.2
151.07538	0.4
152.01167	2.5
159.02966	0.4
168.83598	0.2
205.04942	0.3
219.13937	1.5
233.04524	0.4
235.13373	0.6
237.14949	68.8
238.15276	4.0
239.24361	0.3
279.16083	0.5
330.99371	0.2
381.19327	0.3
391.18451	0.3
399.20218	100.0
400.20541	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	399.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
59.01360	0.8
80.02688	1.3
81.03443	0.9
83.00549	0.6
83.05028	1.9
91.48823	0.6
99.85587	0.6
106.11663	0.7
119.81047	0.7
153.01915	1.4
166.20706	0.7
221.19011	3.7
223.20662	100.0
224.21010	6.3
239.23801	4.5
241.21880	0.9
253.21645	2.0
267.19870	4.6
267.23218	6.4
268.23651	0.8
279.23175	1.5
281.20764	0.7
290.77234	0.7
295.19156	75.8
295.22678	5.4
296.19522	5.8
322.21445	1.1
323.22302	11.6
324.22495	1.3
337.23306	0.8
399.23770	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	399.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
64.44353	5.1
69.89863	10.6
69.90254	10.0
74.62607	5.1
77.27561	5.4
77.58501	4.9
98.22538	6.2
115.17914	5.0
116.15742	6.7
123.04534	9.2
125.89522	5.0
137.02315	5.9
140.46620	5.6
142.62666	5.4
161.01189	13.5
162.03203	7.4
175.87051	5.2
223.91948	5.2
334.21048	31.9
336.22562	31.1
357.24353	9.5
358.20264	26.2
399.25040	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	399.2902
Annotation	17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate
Peak:m/z	Relative Intensity
56.31740	0.6
56.99353	0.6
61.98837	1.2
66.14257	0.6
69.40889	3.4
77.71635	0.8
81.03455	30.5
81.47639	0.6
91.82872	0.7
95.05012	1.6
97.41952	0.6
105.88107	0.7
113.38342	0.6
122.03737	7.5
126.62057	0.7
128.83006	0.7
137.06076	100.0
138.06418	3.4
319.22644	3.1
361.23779	4.8
386.15854	0.8
399.29013	71.3
400.29367	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	399.2902
Annotation	CHEBI:68420
Peak:m/z	Relative Intensity
55.01863	3.3
56.96305	0.9
69.64744	3.6
84.36661	0.8
95.05025	1.7
127.22102	0.9
136.05339	3.0
138.19746	0.8
149.06056	3.6
192.25130	0.8
205.94385	0.9
207.21808	0.9
226.81039	0.9
357.27963	100.0
358.28281	10.6
399.28998	41.2
400.29312	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	400.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11990	2.2
61.23830	2.1
99.92583	60.7
100.92606	2.2
112.70293	2.3
115.92082	8.4
116.92862	6.4
118.89117	3.2
118.89977	66.3
119.90003	2.9
119.90759	5.0
124.00668	1.9
134.89464	4.6
135.90240	17.7
151.02637	2.0
155.27045	2.2
205.43617	2.2
238.31802	2.6
322.92633	2.5
364.17172	15.9
400.14755	100.0
401.14948	10.8
401.26794	2.5
410.84088	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47623	1.6
57.03434	3.5
59.01114	2.7
59.01379	37.2
59.69748	1.9
61.98832	2.2
71.01379	22.1
71.05006	4.4
73.02931	4.3
81.03452	1.9
85.02938	6.1
85.06586	14.2
89.02438	19.6
94.06570	2.0
95.01335	1.8
101.02439	11.7
106.04231	3.8
109.02969	2.4
112.85185	1.7
113.02448	8.7
119.03471	9.5
122.03726	3.5
131.07080	2.0
134.03662	3.3
135.08090	2.8
136.05295	25.4
137.02386	3.6
138.03203	2.1
149.09775	9.3
151.03960	3.9
151.07655	34.0
153.09206	4.1
163.07635	3.9
177.07785	3.3
177.09201	38.3
179.05515	3.1
179.10759	21.2
180.07916	14.4
195.10268	39.7
196.10597	2.2
197.11786	4.9
206.05785	5.2
207.30562	1.7
221.08179	15.7
224.06880	62.9
233.19066	2.5
238.08060	2.4
238.15297	7.6
239.09233	100.0
239.12915	6.6
247.20699	2.4
253.14465	3.1
295.22983	2.0
313.23752	27.0
339.21735	7.3
341.10596	4.1
357.15540	99.5
357.22299	18.8
358.15872	6.3
401.14169	14.8
401.18610	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	400.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68666	5.5
57.03428	7.0
59.01376	100.0
61.98846	5.9
67.92827	7.0
69.32021	33.9
71.01386	58.6
73.02947	11.0
75.01318	6.4
85.02972	20.6
89.02447	61.2
89.97540	5.5
96.96024	15.3
101.02444	40.2
108.86897	6.1
109.02935	9.7
113.02451	26.9
119.03481	20.3
125.02444	9.5
137.02428	12.7
137.55098	5.4
138.03256	11.4
147.74681	6.2
151.04024	9.0
153.01923	13.8
161.04539	39.6
165.01944	8.9
166.02837	12.2
167.03403	7.8
179.05638	11.3
195.10327	7.5
197.04526	10.2
217.01357	7.5
221.08502	8.3
239.05655	6.8
280.08954	8.6
357.15619	77.2
358.16153	7.6
400.16122	24.2
401.14420	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	400.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26219	11.6
70.93452	17.3
85.00437	18.3
96.25916	10.5
157.71252	14.7
185.24493	12.2
224.43303	12.0
237.22208	59.9
265.21768	23.8
295.65079	12.4
321.93350	12.2
337.20325	100.0
364.09714	28.6
401.19376	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	400.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	16.6
63.25673	5.0
67.41575	4.7
71.05004	17.9
96.66342	4.8
98.21876	10.7
121.02962	7.6
160.01091	5.0
189.58972	4.7
211.90883	5.2
237.22220	100.0
247.20554	5.4
265.21771	7.6
293.21237	74.0
294.21588	5.9
337.20151	68.6
338.20572	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	400.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14681	16.2
59.01368	100.0
61.98827	26.5
62.32600	14.3
64.94803	14.8
69.22121	75.8
71.01385	38.7
73.02926	22.3
85.02935	14.5
87.00851	16.0
89.02425	28.5
101.02446	53.9
113.02406	30.0
139.45982	13.7
145.05615	15.1
159.26485	16.4
161.04607	20.9
222.82857	16.4
309.10229	27.6
334.76086	16.5
402.60425	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	400.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	79.6
69.38139	100.0
71.01379	34.7
89.02465	28.2
101.02418	45.0
117.96578	19.6
121.02968	26.4
143.76419	17.9
289.53879	19.8
364.92294	20.7
393.44092	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	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24676	15.4
59.01376	100.0
59.22099	15.2
69.35252	72.9
71.01374	53.4
85.02965	15.1
89.02435	24.8
94.51276	14.6
101.02391	17.5
113.02440	30.8
121.02936	20.1
161.04463	26.6
171.67224	14.0
175.40800	16.4
176.04878	14.8
268.55463	16.6
289.87207	16.3
335.59781	14.1
341.10693	21.3
375.65668	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	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98836	23.7
71.01377	94.7
71.44914	10.0
72.01697	13.2
73.02945	21.0
83.01389	14.1
85.02953	43.0
87.13600	12.4
89.02435	16.6
99.00830	13.3
101.02440	75.7
113.02476	32.1
119.03522	14.7
161.04558	44.0
162.04950	15.3
167.89020	11.4
169.69302	12.0
172.07999	13.2
193.44238	10.6
400.24258	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	400.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99273	5.2
59.68188	6.1
61.98830	100.0
91.24412	5.9
96.78461	5.5
121.02946	21.9
157.46664	6.1
161.22563	5.4
210.66510	6.5
290.18094	5.8
345.97244	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	400.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36877	0.7
58.70401	0.6
61.98826	100.0
70.73154	0.8
76.31625	0.7
96.89463	0.8
97.55389	0.7
105.97517	0.9
106.98380	0.7
107.71777	0.7
121.02970	2.0
167.14417	1.0
186.08614	0.7
191.14502	1.0
194.53604	0.7
211.98181	0.7
233.04120	0.7
251.13089	0.8
253.14445	8.9
255.69495	0.7
330.09189	0.7
357.10815	0.7
405.53378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84894	27.5
62.16995	26.3
63.30302	31.1
67.28424	25.9
69.64729	72.2
70.22604	29.8
87.43728	28.8
87.92630	25.5
90.97004	31.6
91.86073	30.1
101.57576	31.7
118.75470	29.5
120.18316	31.1
121.02962	32.1
168.51526	40.3
173.58382	35.4
233.08276	33.5
357.27936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58215	0.5
52.66898	0.4
55.01815	0.7
55.08374	0.6
59.01307	8.3
59.01625	0.9
60.99226	4.1
69.56634	2.2
71.01302	5.5
72.99258	0.8
73.02895	1.1
75.00794	1.5
83.04955	0.7
85.02945	2.8
86.98385	0.4
87.00786	1.6
88.98801	33.8
89.02438	12.8
90.50324	0.7
93.03421	1.1
95.01314	0.7
95.05038	0.5
98.21902	0.7
99.00793	1.5
101.02422	3.4
108.02164	0.5
109.02844	0.7
110.69792	0.5
113.02454	3.9
119.03429	1.5
121.02892	0.8
121.06503	1.2
122.03644	2.1
123.00799	0.7
123.04432	1.4
124.01575	1.3
125.02365	0.6
135.04419	1.7
136.05209	2.1
137.02443	3.7
137.05963	2.2
138.03215	13.6
139.07550	0.9
147.04538	0.7
149.06036	1.3
149.09711	3.1
151.03983	6.3
152.04701	1.7
159.08072	0.5
161.04472	0.9
161.05943	0.9
162.06828	3.1
163.07654	19.3
165.05475	1.4
167.10736	1.7
175.07712	1.0
177.09201	38.6
178.06201	0.7
178.09465	1.5
179.05644	0.8
179.07048	4.3
180.06502	0.5
180.07837	3.2
191.03490	5.7
193.04980	0.6
193.08688	4.4
194.09288	0.7
195.10242	8.6
207.06682	0.7
211.09764	1.4
221.08177	19.2
222.08519	0.9
224.06863	1.4
231.05045	0.7
238.08406	3.1
239.09225	100.0
240.09589	5.7
249.06108	7.3
267.19910	0.6
269.10303	2.8
306.30188	0.5
311.07758	2.4
312.07690	0.6
341.11237	0.7
371.74396	0.6
401.14719	37.1
402.10583	0.7
402.15097	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14740	1.6
55.01863	5.9
57.03438	5.2
59.01378	78.4
60.73168	1.7
61.53608	1.6
67.01884	3.0
68.99817	3.7
69.03442	4.3
70.50171	2.7
71.01379	100.0
72.99290	7.2
73.02940	42.0
73.54833	1.7
75.00869	26.5
81.03441	2.1
83.01390	15.7
85.02946	68.2
87.00871	12.8
88.98797	5.1
89.02446	27.2
93.03471	12.5
95.01383	13.8
97.02955	5.3
99.00875	33.5
101.02439	75.9
102.29328	1.8
103.00331	4.3
107.04993	1.9
109.95055	1.7
111.00860	3.1
113.02449	66.5
115.00340	2.9
115.04015	3.5
117.01938	3.3
119.03481	2.4
122.03788	1.8
125.02502	7.8
129.01926	3.9
131.03526	2.9
137.02449	28.3
138.03262	2.4
143.03493	5.6
149.04532	2.9
151.02832	3.3
151.04005	58.2
153.01927	1.9
159.02963	7.1
161.04556	51.1
163.07610	4.1
175.02475	3.2
179.07092	4.2
182.02266	2.1
189.04045	2.0
195.02939	2.0
197.04509	4.0
212.33749	1.6
231.05016	8.6
233.06606	6.8
239.09235	4.8
241.83139	1.5
249.06131	99.3
250.06416	2.3
269.10284	97.0
270.10553	5.0
293.08823	5.8
383.09747	2.6
401.10632	63.3
401.14532	80.2
402.11041	7.3
402.14932	7.5
422.46179	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
57.03443	3.3
57.72972	1.6
59.01378	50.0
60.18597	1.4
60.99306	10.4
68.99793	4.4
69.03474	1.8
70.15595	2.7
71.01377	38.1
72.99328	8.0
73.02944	8.0
75.00484	2.7
75.00867	30.6
81.03448	2.0
81.94580	1.5
83.01355	4.1
84.13921	1.4
85.02469	1.7
85.02946	34.0
87.00879	11.6
88.98805	66.2
89.02441	40.5
93.03452	12.9
95.01373	7.9
98.21925	3.0
99.00883	18.9
101.01898	1.4
101.02444	15.1
103.00402	1.5
107.05012	1.8
107.94495	1.5
109.02852	1.4
111.00793	1.8
113.02445	39.6
115.00327	3.0
117.01883	5.6
119.03464	2.3
121.02930	3.2
122.03702	4.4
123.00915	2.2
123.04397	2.5
124.01633	2.0
127.03899	1.5
129.01830	1.8
137.01457	1.9
137.02437	34.3
137.05992	1.6
138.03142	5.7
139.03905	1.6
149.09570	2.1
151.03998	66.8
152.04262	1.9
153.13937	1.5
161.04556	7.7
161.05823	2.1
163.07652	40.8
164.07936	3.4
175.02373	4.8
177.09186	18.9
179.07025	4.7
180.07903	3.6
191.03479	12.5
195.10057	4.3
221.08063	7.1
224.06664	3.0
231.05029	8.6
239.09239	62.4
240.09607	3.0
249.06139	100.0
250.06323	3.8
269.10364	19.1
279.51202	1.5
311.07507	4.9
383.09329	3.6
401.10510	95.9
401.14362	10.4
402.10953	7.3
402.15259	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	401.1088
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
57.03444	2.4
59.01377	24.4
61.98812	2.0
69.03429	1.8
70.88685	2.0
70.92494	1.3
71.01373	15.3
71.03111	1.2
71.05011	4.5
72.99319	3.1
83.05019	3.6
85.02921	2.0
86.52176	1.2
87.00857	1.3
89.02439	18.0
93.03454	3.2
95.01385	4.9
95.05066	2.6
97.02945	8.2
101.01870	1.5
101.02415	8.1
103.01419	1.4
107.05001	6.1
108.81189	1.6
109.02950	4.5
111.04507	13.7
113.02460	6.6
115.04058	9.3
119.03490	4.6
121.02950	5.8
123.00883	16.6
124.01637	4.5
125.02436	2.3
133.06560	1.8
135.04498	10.9
137.02425	5.2
137.06076	4.1
138.03215	8.7
139.04012	54.8
144.52071	1.5
149.06047	5.2
151.07614	2.2
159.04454	2.4
161.04546	1.9
175.04028	3.1
177.05563	100.0
177.08932	2.9
178.05873	5.9
179.05537	4.0
179.07132	4.9
192.00636	4.5
194.05792	3.2
195.06618	6.2
221.04506	10.1
239.05591	85.9
239.09387	3.5
240.05894	4.0
301.09259	13.1
327.07147	4.5
341.10843	28.6
342.11041	1.7
400.99469	3.8
401.10770	48.5
402.11209	4.8
405.98254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93528	1.0
54.32357	1.0
57.03430	4.3
59.01380	35.1
61.98817	2.1
63.78236	1.1
68.99809	1.2
69.28413	5.4
71.01381	23.5
72.99310	7.7
73.02933	4.5
75.00871	18.3
81.83455	1.2
83.01343	1.7
84.02130	1.1
85.02453	1.8
85.02944	25.3
87.00854	7.6
88.99348	1.1
89.02449	8.6
93.03468	7.4
95.01366	7.3
99.00875	11.4
101.02448	6.2
101.50935	1.1
103.00356	3.6
107.05043	1.4
108.02156	5.8
109.02952	14.3
111.00883	1.4
113.02448	32.3
115.00356	2.4
117.01907	3.3
119.03522	2.7
121.02985	2.7
122.03711	4.0
123.04543	2.1
125.02415	1.8
129.01918	1.9
137.02429	20.4
149.05986	1.7
151.04001	51.8
152.01123	5.6
152.04288	2.2
153.01898	13.0
153.03052	5.9
155.31335	1.1
162.06856	1.5
163.06262	2.4
163.07645	49.4
167.03453	4.5
175.02402	3.0
176.02324	1.1
177.01915	1.9
177.05519	2.6
177.09279	1.2
179.07120	2.0
180.07866	3.7
193.01604	1.3
193.03461	2.2
195.02626	6.4
195.04169	5.1
197.04570	2.0
207.06520	2.6
220.85414	1.2
221.11743	2.3
224.06856	4.1
231.05078	2.1
238.08536	1.3
239.05647	12.9
239.09224	41.9
239.12814	2.2
240.09579	1.9
249.06126	22.7
255.05055	5.2
271.18048	1.1
281.06650	3.1
341.10968	1.4
343.77887	1.1
383.09692	2.2
401.10730	100.0
402.11121	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	401.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57468	0.7
69.36488	2.2
69.36897	1.4
78.01102	5.1
94.03119	0.7
96.95993	4.3
109.87209	0.8
111.00865	1.1
121.02917	1.7
125.99578	4.3
137.99554	1.2
139.00377	3.5
171.02560	0.8
195.17554	2.4
197.19128	0.9
219.17528	16.7
231.58429	0.9
237.18610	0.9
279.15985	3.8
281.17560	100.0
282.17905	7.7
307.15512	1.6
325.16507	8.3
325.37372	0.7
339.13312	2.6
383.12341	1.5
401.12909	1.0
401.22775	0.9
411.16568	0.8
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
59.01152	0.4
59.01381	4.5
71.01391	2.9
71.45134	0.5
73.02937	1.0
85.02943	0.8
88.14764	0.4
89.02441	1.8
93.03435	1.0
99.92611	0.4
101.02431	1.1
109.02952	1.1
113.02435	0.9
115.92064	0.5
116.92844	1.3
125.02458	1.4
136.01685	0.9
136.05275	0.6
137.02444	38.7
138.03288	3.2
139.00368	5.8
148.05284	1.4
150.03241	1.8
151.00369	7.0
151.04013	0.8
151.07671	0.6
152.04752	4.4
153.01875	0.5
153.05594	3.6
163.07660	2.2
165.02058	0.5
165.05560	7.6
166.02711	9.9
167.03360	0.6
169.01401	3.7
179.05669	0.6
179.07129	2.1
192.04289	0.7
207.06601	6.1
224.06895	23.4
225.07289	1.2
237.11334	0.6
238.12111	0.6
239.09244	100.0
240.09566	5.1
341.10867	3.2
357.19205	0.9
401.14154	1.0
401.22009	1.2
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
57.03428	0.8
59.01377	5.9
71.01379	3.9
71.44425	0.5
73.02930	1.4
83.01394	1.1
83.05010	0.7
83.77135	0.6
85.02928	1.2
89.02434	2.3
93.23205	0.5
95.01333	1.2
95.05003	0.7
95.10535	0.5
96.96010	2.0
97.02952	1.0
97.06598	0.6
101.02438	2.6
105.88923	0.6
108.02167	1.6
109.02946	1.3
113.02425	2.5
119.03498	0.7
119.20362	0.5
121.02949	2.8
122.03762	7.9
123.00914	1.3
123.04529	5.4
124.01662	9.9
125.02482	3.0
134.03680	0.6
135.04515	1.2
136.01649	0.9
136.05231	1.5
137.02501	1.3
137.06024	0.7
138.03247	3.4
139.04073	1.3
146.27179	0.5
149.06091	1.0
149.09689	2.7
151.04013	2.5
151.07640	2.0
153.05612	0.8
153.09221	0.8
159.08189	1.6
161.04536	2.3
165.09238	0.7
167.03400	0.9
167.10713	1.4
175.07591	1.0
177.09209	36.7
178.09509	1.8
179.03488	1.2
179.05656	0.8
179.07123	1.4
180.04295	0.6
181.05077	3.6
193.05104	0.9
193.08701	6.0
194.09113	0.9
195.02863	3.0
195.10246	2.5
196.03688	0.7
197.04539	2.5
197.08168	1.1
203.07230	0.8
207.03101	0.6
209.04523	3.7
211.09763	2.2
221.04630	4.1
221.08142	13.2
222.08501	1.0
224.06995	0.7
238.04756	2.5
238.08374	2.6
239.05792	6.6
239.09235	100.0
240.09552	5.2
269.10458	3.0
281.10150	0.7
324.15680	0.6
329.43488	0.6
341.10895	2.7
365.18356	0.8
401.10596	8.1
401.14505	24.3
402.10577	0.8
402.15045	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37657	0.7
55.06631	0.7
55.39271	0.7
57.03432	1.4
59.01377	42.3
59.52948	0.6
65.10600	0.6
65.56284	0.7
67.06097	0.6
68.94793	0.6
69.24598	3.4
70.56822	0.6
71.01389	4.2
71.05009	0.9
73.02949	1.2
76.72256	0.7
85.02954	2.3
89.02455	2.1
96.96011	1.4
101.02460	1.0
106.75847	0.6
106.84973	0.7
108.02193	2.4
109.02950	0.8
109.06520	0.6
113.02437	1.5
119.03493	0.8
120.74740	0.7
121.02947	1.3
122.03747	1.1
123.00894	1.0
124.01655	14.0
125.02441	2.1
134.03761	1.6
137.02443	5.6
137.06001	1.5
138.03252	4.3
151.04007	1.3
163.07663	4.2
165.01923	2.2
165.05559	28.2
166.02745	2.1
166.05923	0.8
177.01880	1.8
179.03510	0.9
179.05544	0.8
180.07921	13.6
195.10211	1.6
206.05815	1.0
209.04642	1.6
211.13348	2.4
221.08202	3.1
221.11823	2.4
224.06871	18.8
225.07314	1.0
237.11252	2.0
238.12029	0.9
239.09232	47.0
239.12888	100.0
240.09668	2.5
240.13225	5.8
244.86549	0.8
303.04959	1.5
316.76892	0.7
341.10837	2.4
401.13956	2.5
401.18298	10.6
401.22626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.8
57.03434	5.0
58.00587	1.1
58.46152	0.8
59.01375	52.2
69.55645	2.7
71.01379	73.5
72.01713	0.8
72.99287	1.3
73.02943	27.4
74.65096	0.8
74.77715	0.7
75.00845	1.4
83.01386	12.0
85.02947	34.9
86.00115	0.8
87.00869	3.2
88.98801	1.6
89.02437	13.2
95.01388	5.5
97.02915	1.7
99.00883	9.6
101.02435	53.6
112.01663	1.0
113.02444	28.9
122.03722	1.4
125.02414	3.0
131.03468	2.0
137.06053	3.5
143.03511	3.9
151.03940	1.0
159.02982	5.6
161.04546	45.2
162.04915	1.2
163.07660	1.3
179.07092	9.1
191.05531	1.3
269.10275	100.0
270.10626	5.3
321.64966	0.9
401.14584	26.2
402.14688	2.7
402.88968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.9
59.01125	0.9
59.01378	10.8
66.39595	0.6
69.61808	1.9
71.01380	5.8
73.02938	1.2
83.01394	0.7
85.02905	2.0
87.04494	2.3
89.02442	4.1
93.03442	1.3
95.01391	1.0
96.96015	5.7
98.21915	1.1
101.02437	16.8
108.02148	2.3
109.02938	3.1
113.02437	2.4
119.03452	1.4
121.02948	5.2
122.03734	15.7
123.00893	1.4
123.04473	2.2
124.01641	0.9
134.03683	0.8
136.01587	1.0
137.02449	3.7
137.06091	3.8
138.03209	2.7
149.06110	1.0
150.03206	0.7
151.04002	12.5
152.04688	0.6
153.02013	1.2
153.03044	5.0
161.04648	1.0
161.05957	1.1
162.06868	3.8
163.07645	99.6
164.07993	5.5
165.05516	1.0
167.36668	0.6
169.45604	0.6
177.05547	1.9
177.09195	6.5
179.05724	0.7
179.07129	6.2
180.07912	11.6
191.07069	0.8
193.05055	1.6
193.08589	1.1
195.04094	5.0
195.10204	1.6
197.04639	1.7
197.08173	1.9
206.05873	3.1
207.06619	4.4
209.08134	0.8
216.98003	0.6
221.08165	5.0
224.06888	8.0
238.08493	1.5
239.05830	4.8
239.09235	100.0
240.09576	6.0
281.10394	0.6
341.11719	3.3
353.05948	0.6
359.13416	2.0
401.14642	22.9
402.14926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41532	0.5
58.01456	0.4
59.01379	100.0
60.01731	0.7
61.98813	0.5
69.19984	2.1
71.01390	1.9
73.02947	1.7
83.01379	0.5
85.02959	0.5
89.02458	1.0
96.95988	0.5
99.00973	0.6
101.02465	1.9
107.55730	0.5
109.03030	0.8
110.78296	0.5
113.02493	0.9
121.02995	0.7
124.01662	0.7
125.02464	1.7
137.02428	2.4
138.03227	1.3
145.95959	0.5
146.55034	0.4
161.04706	0.5
165.01964	1.7
165.05582	3.4
166.02753	2.6
167.10678	0.4
177.01970	1.9
177.05701	0.6
177.09224	0.7
179.03566	1.5
179.33353	0.4
180.07959	1.3
186.23001	0.6
195.10432	0.5
221.11934	0.6
224.06964	2.1
239.09251	4.6
239.13029	1.6
240.12535	0.6
258.63254	0.5
269.08548	0.7
303.05270	1.9
304.05832	1.1
307.48944	0.4
321.17361	0.5
328.28125	0.5
341.10773	0.6
368.28592	0.6
401.13324	1.4
401.17743	0.9
401.22253	1.2
402.08362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21930	0.4
55.04031	0.4
59.01356	1.0
65.10959	0.5
69.26581	1.7
69.26979	1.0
73.53226	0.4
83.05014	0.8
85.02930	0.6
95.04980	0.5
95.58494	0.4
96.02208	0.5
97.06509	0.4
98.21879	0.8
105.80448	0.4
107.05002	0.9
109.02957	0.6
111.04501	1.1
121.06556	1.5
122.03748	0.6
123.04501	1.1
124.01631	1.5
124.05264	0.6
125.02468	0.8
131.73985	0.5
135.04555	2.3
136.05312	2.8
137.02451	1.3
137.06085	1.7
138.03223	18.2
139.03818	0.7
139.07613	0.7
147.08191	1.1
148.05295	0.9
149.06081	0.9
149.09740	3.5
151.03969	1.5
151.11342	0.6
152.04793	2.3
162.06851	2.3
164.04764	0.5
165.05504	1.8
167.10725	2.4
171.67192	0.5
175.03821	0.5
175.07637	1.8
176.08289	0.6
177.09204	47.4
178.06441	0.6
178.09558	2.5
180.07881	2.6
183.06618	0.7
193.08693	5.6
194.09471	1.2
195.10251	11.0
203.07167	0.8
206.73813	0.4
211.09732	0.9
221.08189	25.0
222.08533	1.3
224.06952	0.7
238.08412	3.6
239.09238	100.0
240.09570	5.7
281.10339	0.6
307.95572	0.5
383.13388	0.5
401.14536	29.1
402.14865	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
64.27793	0.3
69.54822	0.7
69.55196	0.5
71.01369	0.7
77.37277	0.3
85.02940	0.4
89.02451	0.4
93.03441	0.4
95.42133	0.3
101.02467	0.5
106.98588	0.3
109.02935	0.8
119.05024	0.7
121.03009	0.3
122.03744	0.6
123.00910	0.5
124.01698	0.3
125.02475	0.4
137.02435	2.8
138.03192	1.1
150.03221	0.5
151.03995	6.7
152.04713	0.9
161.06003	0.5
162.06880	1.0
163.04004	0.9
163.07649	4.7
165.05508	1.6
178.06277	1.6
179.07076	0.8
180.07913	12.8
187.04076	0.3
193.08698	0.6
195.10188	1.7
206.05827	5.9
207.06340	0.6
221.08176	18.7
222.08467	0.9
224.06879	76.6
225.07216	3.4
239.09230	100.0
240.09561	5.3
267.08179	0.3
350.85324	0.3
401.14456	20.8
402.14841	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	401.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
59.01376	36.3
61.98831	11.0
65.34579	1.7
71.01384	19.9
71.44029	2.4
75.00859	2.4
77.72971	1.8
85.02949	5.1
89.02438	16.0
93.03461	2.3
95.01381	2.2
95.05036	2.8
96.96043	2.3
97.93887	1.8
101.02441	11.4
113.02457	8.7
119.03510	7.6
121.06560	9.1
122.03735	15.0
123.08110	1.9
124.01624	2.8
125.02440	2.5
133.06599	2.4
133.10226	2.4
136.01674	4.1
136.05333	3.9
137.02432	11.2
143.03534	3.0
149.04845	1.7
149.06047	9.5
151.07629	70.3
153.80879	1.9
158.49318	2.0
161.09605	1.9
163.03983	3.2
163.07634	4.5
165.56985	2.0
166.43282	1.8
169.48291	1.9
177.02017	2.9
177.05576	40.0
177.09195	88.4
177.17632	2.1
178.05882	2.7
178.09604	4.1
179.05669	3.2
179.07181	3.4
195.06616	100.0
196.07007	4.9
197.04613	2.9
221.08173	24.1
239.05643	3.8
239.09206	11.3
279.51062	2.0
341.06534	2.1
341.10690	9.5
357.07904	2.6
357.11652	11.2
359.13437	2.1
401.10776	7.3
401.14899	61.6
402.15158	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	401.158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65660	3.8
53.11026	3.2
53.77786	3.3
56.46210	3.4
57.68833	3.3
59.01380	66.9
61.98811	4.9
69.66996	4.4
69.67339	11.9
71.01389	33.3
72.63014	3.6
72.72499	3.8
75.00864	9.9
85.02950	13.7
87.00865	7.6
89.02453	24.1
93.03452	12.2
95.01328	5.1
99.00862	7.7
101.02449	16.3
107.45029	2.9
109.02973	5.3
109.25761	3.4
112.85869	3.3
113.02452	23.6
119.03505	9.0
122.03728	16.7
123.04569	3.9
136.01654	4.1
137.02438	26.8
146.03703	6.8
149.06049	9.1
151.04053	23.3
151.07645	84.4
153.01851	4.1
162.06779	3.3
163.07660	6.4
164.04749	8.1
167.03421	5.2
177.05582	39.8
179.05688	6.3
179.07143	22.3
180.07896	18.6
195.06613	100.0
195.10268	13.1
196.06914	4.3
197.04507	5.5
239.05650	9.0
239.09293	20.2
249.06093	7.6
256.42218	3.2
341.10858	13.5
357.11758	11.3
401.10745	59.5
401.15506	18.7
402.11142	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61717	0.5
55.92798	0.5
59.01376	7.1
62.87791	0.5
66.72890	0.6
69.28403	3.0
71.01373	7.8
73.02930	1.8
75.95707	0.5
76.68864	0.6
81.03454	1.5
83.01340	0.7
85.02939	2.1
89.02435	1.3
92.58641	0.6
98.21809	0.7
99.00851	0.9
101.02428	3.3
113.02435	2.2
135.11803	2.7
137.09711	3.3
137.28659	0.5
138.54039	0.6
143.03510	0.8
161.04543	8.9
179.10760	100.0
180.11125	4.9
209.47147	0.6
221.11942	0.6
224.71239	0.6
290.70169	0.6
341.11142	1.4
341.15948	2.6
401.21600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Spionoside B
Peak:m/z	Relative Intensity
55.01862	0.4
57.03435	1.0
59.01379	18.7
69.03450	0.6
69.31886	1.1
69.32285	0.8
71.01379	6.1
71.05041	0.7
72.99295	0.6
73.02953	1.6
81.03478	0.8
83.01385	0.8
83.05014	0.5
84.14232	0.5
85.02959	2.1
87.00883	0.5
89.02444	4.5
93.03470	0.6
95.01397	0.8
95.05072	0.5
96.92893	0.4
96.96002	0.5
97.02950	0.7
97.06557	0.7
97.36121	0.4
99.00886	0.5
101.02449	3.1
101.81075	0.4
108.02170	3.0
109.02978	0.7
109.06586	0.5
111.04552	1.0
113.02448	2.8
116.92824	0.5
119.03514	1.7
121.02951	1.2
122.03730	0.8
123.00896	0.5
124.01667	15.4
125.02431	1.9
134.03728	2.3
136.05305	1.3
137.02458	4.6
138.03218	5.1
139.04012	0.6
151.04044	0.7
151.07632	2.5
152.01175	0.6
161.04529	0.7
165.01959	1.6
165.05545	0.8
166.02711	1.6
167.03474	0.6
177.01944	1.0
179.03592	0.8
179.05589	0.5
179.10791	1.0
181.12317	1.7
191.10730	1.0
197.11792	2.5
203.10793	0.5
206.09596	0.5
211.13377	2.2
219.03085	0.6
219.06819	0.4
221.11810	3.7
235.13361	0.8
237.11324	0.7
238.12158	2.2
239.12883	100.0
240.13248	6.2
253.14473	4.7
297.13376	1.7
303.05124	1.2
304.05783	0.7
339.21686	0.9
341.10794	2.2
341.15973	5.3
342.16107	0.5
357.15433	2.2
358.16101	0.5
359.17001	4.6
387.44379	0.5
401.13626	1.3
401.18100	22.9
402.18417	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
55.36526	0.9
57.03437	4.1
57.49663	0.9
57.85738	0.9
58.70216	0.9
59.01379	25.7
66.79714	0.8
69.73948	3.4
71.01381	62.4
73.02947	20.0
75.00858	1.8
81.03462	0.9
83.01378	6.6
85.02948	28.9
87.00880	2.3
89.02434	7.5
90.02726	0.9
93.03412	1.3
95.01387	5.4
97.02926	1.7
99.00866	6.0
101.02446	35.9
109.02928	2.4
110.74525	0.9
111.04546	1.0
113.02445	24.9
119.03498	1.5
121.06521	1.1
123.00823	1.0
123.04542	1.3
124.01630	2.0
125.02425	4.2
129.01947	1.1
135.04507	2.1
136.05281	4.1
137.02414	3.3
137.06111	1.2
138.03221	17.3
139.03923	1.9
139.07671	1.1
143.03468	3.4
145.02957	1.5
148.05252	1.3
149.06018	1.4
149.09692	3.4
151.03993	2.9
151.11240	0.9
152.04755	1.3
153.01930	1.8
153.05519	1.2
159.03017	6.9
159.08208	2.2
161.04552	36.4
161.06058	12.5
161.09740	2.3
162.06715	1.4
163.07603	2.6
165.01894	2.5
165.05591	1.5
166.02742	3.2
167.03462	2.1
167.10742	2.2
173.05984	1.0
175.04115	1.3
175.07703	1.2
177.09209	40.2
178.09686	2.4
179.10760	1.3
180.07889	1.9
191.07072	2.7
193.08665	5.7
193.12308	1.0
195.03044	1.5
195.10272	12.0
197.04561	1.0
203.10741	2.3
206.09471	17.0
207.09811	1.8
211.09760	1.7
214.50789	0.9
221.08212	21.1
221.11742	12.6
222.08537	1.1
227.73640	1.2
238.08484	3.8
239.05394	2.7
239.09242	100.0
240.09576	4.2
249.06116	1.1
269.10220	1.6
281.10324	5.7
303.04764	1.0
401.14487	34.1
402.14688	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	401.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.6
64.98155	1.6
69.67872	2.9
69.96844	1.4
70.25235	1.2
81.03478	2.8
85.00439	9.9
98.22613	1.5
116.92924	1.8
118.53860	1.6
121.02939	8.3
123.04533	10.1
124.01653	3.4
139.00337	2.0
152.01152	4.5
158.90152	1.5
167.03482	6.6
169.77948	1.9
170.11026	1.8
191.03506	2.4
265.18011	2.2
293.17578	48.7
293.20883	2.9
294.17999	3.2
307.19107	10.4
308.19897	100.0
309.20236	10.4
319.19083	5.5
319.82242	1.7
350.20959	11.2
357.27914	1.8
363.25357	1.7
365.23318	44.0
366.23578	4.8
401.22989	4.4
401.27121	2.8
402.16074	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	401.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	17.0
69.91722	46.1
77.14420	13.9
121.02951	100.0
141.40588	14.7
179.80580	13.8
226.82443	16.2
277.01068	18.4
293.17416	24.9
313.07278	22.2
377.16354	15.2
401.08963	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2694
Annotation	Ardisiphenol C
Peak:m/z	Relative Intensity
52.70919	0.4
59.01368	1.5
61.92020	0.4
63.85612	0.4
69.40486	2.0
75.00400	0.4
75.93584	0.4
79.05540	1.3
81.03450	31.6
82.03797	0.6
92.60753	0.6
103.51424	0.4
109.30866	0.4
116.65725	0.4
121.02986	0.8
121.06574	1.3
122.03759	2.5
123.04520	100.0
124.04859	2.6
145.87312	0.4
165.05554	3.4
248.44003	0.4
275.23849	0.5
289.21686	0.7
317.21158	1.4
319.21857	0.6
333.20718	1.4
352.86441	0.5
359.25864	27.7
360.26260	2.3
385.92072	0.4
401.26941	67.5
402.27274	7.3
404.18253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2694
Annotation	Ardisiphenol C
Peak:m/z	Relative Intensity
57.03423	1.5
59.01354	2.7
61.98812	1.6
64.37588	0.8
69.37711	4.1
81.03430	3.8
100.93382	1.6
113.09682	3.0
115.92044	2.6
121.02946	5.8
122.03696	3.7
123.04469	1.3
135.04533	4.7
136.05235	1.3
149.06039	2.2
156.16756	1.0
166.23524	0.8
175.07550	1.4
189.82281	0.9
217.15898	1.2
219.17606	4.8
233.15259	1.0
245.15364	2.5
247.16887	1.3
253.27028	0.8
259.14352	1.1
259.17010	19.9
260.17221	1.2
261.56363	0.8
277.17914	3.2
283.93747	0.8
293.17551	1.7
301.18091	1.8
301.21219	1.7
313.07050	1.1
341.24838	20.9
342.25037	2.6
359.25882	100.0
360.26205	11.8
383.25381	2.0
383.29413	3.1
401.08548	2.1
401.26694	29.5
401.30341	2.9
402.27017	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	401.3057
Annotation	CHEBI:68040
Peak:m/z	Relative Intensity
61.98761	0.7
64.00146	0.8
81.03451	29.8
81.03934	1.7
84.13345	0.8
85.00385	1.2
95.05022	1.6
98.69989	0.9
109.14091	0.8
121.02930	1.5
122.03731	3.8
123.00847	1.3
123.04521	1.2
135.84209	1.0
137.06076	100.0
138.06403	4.4
149.19855	0.7
176.98883	0.8
178.70563	0.9
224.22903	1.0
287.22327	0.9
293.17603	1.9
333.20569	1.4
336.22562	4.3
401.30606	82.3
402.30972	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	402.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18018	9.2
54.66966	8.0
59.01380	100.0
59.69264	7.3
66.91280	7.8
71.00757	10.6
71.01369	22.3
73.02934	9.1
85.02937	13.7
89.02429	19.5
91.96643	7.7
101.02409	24.6
109.43364	9.0
113.02406	15.6
122.84447	7.9
136.05296	12.9
151.07578	19.4
152.07942	9.7
161.04486	23.2
193.94391	8.2
222.12195	12.2
240.13269	11.9
266.17450	8.3
402.17960	50.6
403.19495	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63417	12.9
54.97872	11.1
55.27802	10.4
56.43509	10.6
56.73908	11.6
59.01375	100.0
60.14259	11.9
61.98821	16.3
68.37076	11.3
69.38894	59.4
71.01393	29.1
73.02934	76.6
83.01361	18.5
93.79215	10.9
101.02423	30.3
103.70634	10.4
121.02959	20.5
122.03294	15.2
144.12938	11.6
155.10762	51.6
182.06821	14.5
197.11804	27.0
228.32330	15.6
235.29204	12.3
295.87054	13.6
319.73642	11.6
402.08966	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67073	0.4
81.17030	0.4
109.02941	1.3
110.03754	3.2
116.37833	0.4
119.20476	0.4
123.04583	0.4
125.02462	1.4
137.02440	1.9
138.03224	6.2
140.45950	0.4
142.02692	0.6
142.23167	0.4
154.64655	0.4
165.01900	0.6
166.02721	4.9
167.03368	0.5
171.67123	0.4
179.03481	6.8
180.04225	1.8
191.07089	0.4
193.05049	3.4
194.05521	0.6
198.01688	0.8
224.61475	0.4
235.09796	0.5
236.10503	0.7
305.21155	5.0
306.21530	0.9
311.22086	0.4
333.20700	100.0
334.21057	25.9
334.24139	0.4
335.21194	0.7
402.18835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11168	2.5
54.00717	2.5
56.35363	2.8
59.01375	3.9
60.47692	3.5
65.30563	2.9
67.88180	2.9
69.51451	11.9
81.03468	21.4
110.06784	2.7
123.04523	74.1
136.45592	2.7
138.93320	3.1
148.10568	3.3
185.16570	3.4
197.02190	3.0
221.25821	3.2
287.57861	3.0
304.20004	4.2
346.21426	6.0
346.30823	3.3
359.25885	100.0
360.26166	11.0
388.15967	3.4
402.23172	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	402.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
80.09710	5.7
89.25528	4.7
111.74033	4.9
228.82294	5.4
275.23886	5.2
317.24872	66.1
318.25137	6.1
359.25937	100.0
360.26270	13.9
387.00238	5.2
409.05292	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	402.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43547	15.0
57.08840	15.8
59.01378	17.1
61.98821	74.2
70.75655	16.6
71.45286	14.6
88.44312	17.3
115.95795	18.2
121.02953	19.3
121.75228	20.2
129.17879	16.9
154.41808	16.4
192.00844	15.5
265.14423	20.1
320.22235	53.2
359.25922	100.0
366.08658	24.5
403.25842	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07526	8.3
52.11914	6.7
63.76648	6.7
71.41632	8.8
111.84094	7.9
197.98654	8.2
277.18979	8.4
317.24704	23.1
343.68192	8.4
345.24295	67.7
359.29523	100.0
360.26456	9.4
402.14301	9.9
403.28192	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	403.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
58.18856	0.6
59.01368	6.0
61.98828	5.3
63.24006	0.5
69.29507	0.5
71.01366	4.4
71.43756	0.7
72.99308	1.4
75.00871	3.4
78.95903	13.4
79.95739	1.6
83.01396	2.3
83.05019	1.0
85.02937	4.0
87.00875	1.7
89.02448	1.9
93.03453	1.9
95.01384	2.0
95.04995	1.2
95.83629	0.6
96.96008	100.0
96.96935	22.6
97.02937	2.0
99.00886	1.8
101.02435	3.6
108.02180	0.7
109.02953	17.7
111.00787	0.8
111.03844	0.7
111.04519	4.8
113.02435	5.4
113.98696	0.5
116.88814	0.6
121.02973	3.2
123.00869	2.0
124.01646	2.2
125.02447	18.9
125.03451	1.2
137.02438	10.8
138.03242	5.4
139.04012	32.1
151.03981	1.4
153.01935	21.9
161.02467	1.0
161.06024	1.1
165.01949	3.6
166.02708	0.7
167.03522	4.1
177.05522	0.6
179.03477	2.7
179.07100	9.7
180.98148	1.1
181.05017	1.7
183.48598	0.7
219.06496	2.3
221.04425	1.3
222.99161	2.7
223.06166	3.1
227.05539	0.9
230.99875	0.8
236.97075	1.3
237.97726	1.1
241.07166	6.3
249.06166	4.5
258.99240	0.7
261.07516	0.8
265.00253	6.3
267.07190	7.8
268.96301	0.7
269.06604	0.9
277.00079	1.2
299.02286	1.3
301.09283	14.0
305.06647	20.4
306.06775	2.0
317.03091	1.6
325.00000	0.7
326.98074	0.7
341.08481	0.8
343.01434	3.2
359.04263	1.4
361.02350	0.8
374.99902	2.3
385.02158	1.7
385.06912	1.0
385.11414	1.4
403.03387	3.9
403.08377	31.7
403.12393	3.3
404.08792	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30824	1.7
59.01371	11.6
60.99305	13.9
61.98814	7.6
71.01380	6.9
71.44182	1.8
72.99299	4.2
73.52864	1.5
75.00874	2.2
77.63760	1.7
78.95899	2.1
84.18315	1.6
84.63735	1.9
85.02941	2.2
87.00869	1.9
88.98801	100.0
89.02422	2.5
96.95994	4.1
101.02451	3.0
101.73307	1.8
109.02943	6.7
113.02455	7.0
121.02930	4.3
123.00893	5.1
137.02444	4.8
138.03185	3.6
139.04012	14.7
149.02446	5.9
151.03998	5.9
153.01939	11.8
157.12378	1.8
165.01910	7.0
166.02679	4.3
179.07133	3.7
181.05064	9.7
193.01421	92.6
194.01834	2.5
200.54420	1.8
207.02965	8.1
211.17288	1.9
213.48338	1.7
222.97733	2.1
223.06445	2.5
235.02359	10.4
241.07126	2.4
254.91510	2.4
267.07083	8.7
282.91046	25.7
283.91339	2.1
289.05402	5.4
296.92569	5.1
298.83484	1.9
301.09210	2.6
313.05646	96.0
314.05960	5.7
324.92191	3.5
402.95224	30.9
403.08453	21.8
403.95633	2.2
404.09280	2.6
419.32642	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	403.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
59.01118	1.3
59.01378	16.9
61.98827	25.4
68.99808	0.8
70.17794	1.9
71.01380	17.0
72.99293	2.1
73.02931	1.1
75.00866	11.3
81.03460	1.2
83.01355	1.0
83.04970	0.8
83.39925	0.8
83.45197	0.9
85.02460	1.2
85.02951	15.5
87.00869	7.3
89.02454	5.9
91.01891	1.0
93.03456	1.5
95.01385	3.5
96.96005	4.9
96.96947	1.7
97.02953	1.6
99.00879	7.8
101.02420	2.9
103.00365	1.1
108.02151	1.4
109.02950	38.3
111.00886	1.0
111.04491	3.9
113.02448	22.6
115.00369	1.6
117.01912	1.2
121.02910	3.1
123.00874	6.0
123.04478	0.9
124.01633	3.2
125.02475	6.5
129.01875	0.8
131.03426	1.2
137.02461	5.0
138.03220	8.2
139.03021	1.2
139.04016	22.7
149.92537	0.7
152.01128	1.5
153.01935	52.0
154.02272	1.6
163.03981	1.7
167.03532	1.0
175.02415	1.6
179.03445	2.2
179.07104	13.1
181.05122	5.8
192.00595	1.8
207.03049	1.6
207.05005	1.2
209.04517	1.2
223.06137	4.5
227.05629	6.8
231.05275	0.9
241.07161	9.7
248.26526	0.9
249.06133	9.5
250.06476	0.9
267.07199	42.5
268.07489	2.0
269.06616	2.7
283.08206	1.7
301.09354	10.5
312.82941	0.9
327.07065	3.0
341.08597	2.6
343.10471	1.3
370.55048	0.8
385.07489	2.5
385.11609	1.4
391.37006	0.8
403.08646	100.0
404.09058	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	403.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.6
59.01378	19.2
61.98826	8.7
67.01886	0.9
68.99791	1.3
69.03419	1.6
71.01378	13.0
71.12869	1.6
72.99300	5.5
73.02921	1.6
75.00877	10.3
78.06660	0.9
78.12349	1.0
83.01354	1.4
83.05042	2.0
85.02955	13.7
87.00881	5.1
89.02470	4.7
93.03417	4.3
95.01338	2.7
96.95963	3.3
97.02916	2.5
99.00874	6.6
99.16221	1.0
101.02448	8.9
108.02111	1.3
109.02945	50.9
109.06565	1.2
110.03206	1.2
111.04511	12.2
111.18437	1.0
113.02448	11.7
115.00331	1.2
121.02966	8.8
123.00898	10.4
124.01663	7.5
125.02433	6.4
135.04451	1.1
137.02371	3.8
138.03227	20.1
139.04010	100.0
140.04298	3.8
148.12918	0.9
150.03214	1.0
151.03922	1.5
152.01103	1.4
153.01935	61.6
154.02278	1.6
160.84178	0.9
161.05994	2.7
163.03856	1.3
175.02419	1.5
177.05496	1.5
179.05708	1.2
179.07129	22.8
180.07382	0.9
181.04979	4.2
192.00533	3.5
193.01257	1.0
207.02858	1.3
222.05331	1.0
223.06091	9.7
227.05490	4.1
231.04987	1.2
234.93340	1.3
241.05067	1.2
241.07217	17.8
249.06143	14.1
267.07196	16.4
283.08197	1.2
301.09268	45.4
302.09387	2.2
322.37054	1.0
327.07010	3.1
341.08557	2.0
343.10141	2.6
385.07513	3.7
385.11295	2.7
403.08463	94.9
403.12219	8.6
404.08478	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	403.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30253	1.7
59.01378	45.4
61.98820	2.9
65.69885	1.8
68.99977	1.9
69.41113	5.8
71.01384	16.4
72.99308	6.9
73.02927	3.9
75.00868	60.7
78.31591	1.8
78.95901	3.3
83.01391	2.7
85.02960	2.8
86.09437	1.7
89.02441	6.8
93.03427	2.2
96.96012	14.3
96.96944	8.6
97.02925	1.9
98.21917	3.7
101.02448	11.6
107.05083	1.8
109.02927	3.6
113.02433	7.2
119.03513	4.4
119.05032	2.0
124.01659	4.1
125.02457	8.7
137.02402	3.3
138.03201	3.0
139.04005	2.9
140.01160	2.2
143.03532	2.0
150.03285	1.7
153.01941	10.0
161.04532	3.4
162.03180	2.7
163.07681	2.5
164.01172	4.4
166.02748	6.5
167.03513	2.4
169.01358	2.5
178.02725	2.2
179.07106	19.0
190.02641	6.7
192.00639	67.7
193.01389	21.4
193.35728	2.1
194.02164	12.3
205.01404	6.2
206.02180	6.1
207.02974	40.8
208.03436	1.8
219.36932	1.8
221.00880	2.6
222.01686	4.7
223.06129	18.5
223.09642	2.4
225.04024	3.6
234.01675	20.9
237.04021	3.9
240.06392	3.4
241.07228	9.8
249.04005	13.9
305.06635	2.6
306.07870	2.1
312.04837	17.6
327.07199	100.0
328.07541	6.9
403.12076	14.6
403.16580	54.2
404.16110	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.1
59.01377	13.5
61.98809	1.8
69.03435	1.3
71.01373	3.7
73.02924	3.6
81.03450	1.5
82.97518	1.3
83.05006	1.8
85.02921	2.7
87.00872	3.1
88.19888	1.2
89.02415	1.5
93.03440	1.5
95.05041	1.5
97.02960	1.6
98.21705	2.7
99.04465	2.2
101.02445	2.4
109.02921	3.0
111.04503	3.1
113.02424	2.7
121.02924	1.8
122.06089	4.9
123.00846	1.8
125.02443	22.2
127.57437	1.2
130.02965	2.2
131.03738	1.7
132.04553	11.9
135.08205	1.3
137.02411	5.1
139.03954	5.8
139.11259	2.2
148.03978	2.0
150.05569	2.7
158.02437	4.8
159.03191	1.6
160.04051	6.5
162.05609	2.3
165.01840	4.0
167.03442	5.9
175.02472	1.5
176.03513	8.6
179.03452	3.9
179.07259	1.7
181.12111	1.3
190.05098	18.6
191.05638	1.6
197.11858	1.7
211.13435	3.0
212.10753	1.6
213.14972	1.6
215.11766	2.6
217.89853	1.5
219.06570	3.7
220.02452	2.0
223.13457	1.8
224.09447	5.9
225.06131	1.6
225.08076	1.7
226.07426	2.8
227.08180	4.1
234.04012	3.1
239.08136	1.5
239.11839	19.2
240.10176	4.1
241.10126	7.0
241.14352	3.1
251.12784	2.0
253.06133	15.8
254.03371	1.5
254.06731	2.3
255.07599	3.6
255.11372	3.5
261.07556	1.7
265.09604	1.9
267.07632	4.3
268.08615	7.5
281.09106	3.1
283.10886	43.2
284.11166	1.8
287.10208	1.9
293.05264	1.4
305.06625	23.9
309.08875	10.1
315.13303	2.4
327.06201	2.4
327.09818	38.0
328.10052	3.4
341.11182	3.0
343.13751	2.8
359.11993	7.5
360.11478	1.4
371.08807	30.0
372.08911	1.9
403.11298	100.0
403.19583	8.3
404.11633	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.6
59.01377	18.8
61.98801	4.8
68.52500	1.7
69.08931	2.5
69.09323	10.1
71.01361	6.1
73.02929	5.1
80.05019	3.6
85.02923	3.5
89.02407	3.5
95.04994	1.7
96.33083	1.5
98.21902	3.8
99.92527	5.6
100.93324	3.2
101.02412	2.5
108.04545	1.8
109.02859	1.6
111.03230	1.4
113.02429	1.6
115.91987	2.1
116.92860	22.6
117.92950	1.5
121.02963	2.3
122.06123	8.5
124.01660	1.7
124.07628	2.2
125.02450	10.6
130.02968	2.7
131.03716	5.0
132.03679	1.6
132.04555	18.5
137.02406	4.3
139.03940	4.3
147.03177	2.9
148.04027	1.6
150.05595	2.5
157.08537	2.0
158.02402	6.3
158.93828	5.0
159.03101	2.3
160.04016	11.2
161.04596	2.2
161.65233	1.7
162.05554	3.1
164.01140	2.1
165.01820	4.1
167.03448	3.2
176.03568	11.7
176.07062	4.4
179.03429	2.4
183.06689	1.6
184.07738	2.0
190.05087	19.3
191.05650	1.8
196.11382	2.8
209.07236	1.8
211.08804	1.9
211.12260	5.3
212.05598	2.3
212.10695	3.2
213.06696	1.5
215.11665	4.2
219.06525	4.1
220.02414	2.2
221.04434	1.7
223.08585	5.6
224.07242	2.3
224.09477	12.8
225.02318	1.3
225.08099	1.9
226.07387	3.8
227.08134	6.2
234.04063	1.8
237.10132	1.8
239.04582	1.7
239.08107	2.7
239.11884	28.0
240.10352	3.1
240.12248	2.6
241.09677	10.3
241.14374	1.5
250.07257	1.8
252.04965	1.9
253.03841	1.9
253.06184	24.8
254.06505	2.0
255.02963	1.7
255.07541	5.9
255.11357	7.1
256.08505	2.0
265.09549	4.4
267.07745	8.8
268.08517	11.0
281.09348	9.2
283.10876	67.9
284.10983	3.8
305.06656	19.9
309.08844	22.1
315.13147	2.2
327.09845	74.1
328.09912	6.3
341.11243	2.0
353.07263	3.3
359.04086	2.6
359.11450	5.4
371.08832	100.0
372.09128	8.3
403.03333	3.5
403.11151	51.9
403.18558	10.1
403.23633	1.8
404.11472	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	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.1
59.01377	13.5
61.98809	1.8
69.03435	1.3
71.01373	3.7
73.02924	3.6
81.03450	1.5
82.97518	1.3
83.05006	1.8
85.02921	2.7
87.00872	3.1
88.19888	1.2
89.02415	1.5
93.03440	1.5
95.05041	1.5
97.02960	1.6
98.21705	2.7
99.04465	2.2
101.02445	2.4
109.02921	3.0
111.04503	3.1
113.02424	2.7
121.02924	1.8
122.06089	4.9
123.00846	1.8
125.02443	22.2
127.57437	1.2
130.02965	2.2
131.03738	1.7
132.04553	11.9
135.08205	1.3
137.02411	5.1
139.03954	5.8
139.11259	2.2
148.03978	2.0
150.05569	2.7
158.02437	4.8
159.03191	1.6
160.04051	6.5
162.05609	2.3
165.01840	4.0
167.03442	5.9
175.02472	1.5
176.03513	8.6
179.03452	3.9
179.07259	1.7
181.12111	1.3
190.05098	18.6
191.05638	1.6
197.11858	1.7
211.13435	3.0
212.10753	1.6
213.14972	1.6
215.11766	2.6
217.89853	1.5
219.06570	3.7
220.02452	2.0
223.13457	1.8
224.09447	5.9
225.06131	1.6
225.08076	1.7
226.07426	2.8
227.08180	4.1
234.04012	3.1
239.08136	1.5
239.11839	19.2
240.10176	4.1
241.10126	7.0
241.14352	3.1
251.12784	2.0
253.06133	15.8
254.03371	1.5
254.06731	2.3
255.07599	3.6
255.11372	3.5
261.07556	1.7
265.09604	1.9
267.07632	4.3
268.08615	7.5
281.09106	3.1
283.10886	43.2
284.11166	1.8
287.10208	1.9
293.05264	1.4
305.06625	23.9
309.08875	10.1
315.13303	2.4
327.06201	2.4
327.09818	38.0
328.10052	3.4
341.11182	3.0
343.13751	2.8
359.11993	7.5
360.11478	1.4
371.08807	30.0
372.08911	1.9
403.11298	100.0
403.19583	8.3
404.11633	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	403.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.7
59.01377	100.0
61.98820	12.0
71.01384	45.2
71.07229	7.2
73.02939	23.9
75.00890	5.5
83.01419	8.4
85.02935	12.9
89.02450	36.2
99.00890	5.8
101.02451	30.8
108.14722	5.8
111.00888	7.6
113.02452	25.4
117.81901	5.8
119.03480	14.8
120.98061	5.4
121.02926	13.4
125.02459	36.4
137.41338	5.3
161.02399	17.3
161.04526	13.8
175.02493	6.2
220.55864	5.7
242.46724	5.9
305.06610	12.7
333.53314	6.6
347.02737	5.4
361.18280	7.9
403.19125	18.5
403.23950	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	403.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
58.26080	0.6
59.01382	5.0
61.98825	7.5
70.78323	0.9
71.01379	5.2
72.99323	0.9
73.02947	0.7
75.00890	3.7
83.05027	1.8
85.02964	5.1
87.00863	2.3
87.65002	0.5
89.02446	2.4
93.03466	3.3
95.01386	1.2
95.05027	0.9
96.96007	4.5
97.02950	2.8
99.00870	2.6
101.02431	7.3
108.02158	0.6
109.02950	15.7
109.06546	0.6
111.04518	10.1
113.02457	8.3
115.00398	0.6
117.01918	1.0
121.02953	8.2
123.00952	0.7
123.04491	0.8
123.65260	0.7
124.01675	4.8
125.02435	2.4
133.87932	0.6
137.02470	4.7
138.03233	17.9
139.04010	100.0
140.04367	2.9
151.03966	0.7
151.07625	0.7
152.01170	0.7
153.01930	20.3
161.06059	2.2
163.03999	1.4
167.03590	0.8
174.24576	0.6
175.02525	0.7
179.07137	22.8
181.05089	1.8
207.05159	0.7
221.04268	0.6
223.06102	7.1
227.05627	3.6
241.07155	16.5
249.06102	4.3
264.26755	0.6
267.07208	16.1
267.10123	1.0
268.73148	0.6
269.06659	1.4
301.09277	43.5
302.09589	1.9
305.06720	0.7
341.08789	1.6
385.07248	0.9
385.11731	3.0
403.08759	35.1
403.12683	14.8
404.08432	2.9
404.13409	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	403.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
60.25294	0.3
61.98826	2.9
63.35617	0.3
70.04430	1.0
71.01375	2.0
75.00858	0.5
78.95892	0.6
85.02944	0.5
89.02446	1.8
92.59488	0.3
95.01377	0.7
96.96014	2.8
96.96946	0.7
101.02445	1.5
102.96432	0.3
108.02165	24.2
109.02433	0.3
110.57101	0.3
111.00872	0.4
113.02425	0.6
117.31988	0.3
119.03503	0.6
119.05023	0.5
122.49426	0.3
123.00888	2.8
123.04522	13.1
124.01665	0.5
124.04846	0.7
125.02399	0.4
137.02414	0.7
138.03214	2.7
139.00375	0.7
139.03990	0.8
152.01140	53.3
153.01515	1.5
165.01926	1.0
166.02740	0.6
167.03484	100.0
168.03798	3.2
179.03613	0.5
179.05623	0.4
180.04237	0.6
192.00618	0.6
193.01358	2.3
207.02933	0.7
208.03783	4.0
223.06082	12.5
224.06371	0.5
241.07158	1.0
327.07251	0.9
333.09305	0.3
403.12405	16.1
404.12811	1.6
408.09094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1373
Annotation	Flustramine H
Peak:m/z	Relative Intensity
59.01376	96.3
69.41924	38.1
71.01385	38.7
73.02943	17.9
75.00867	49.3
77.82125	10.8
85.02975	15.5
89.02445	9.7
93.72147	7.7
96.95997	12.6
98.22617	17.7
101.02458	31.8
101.65428	8.3
109.02968	13.2
113.02447	21.0
125.02454	13.6
127.82472	8.3
153.01936	18.3
157.08868	8.1
161.04561	23.1
164.01067	10.4
166.26976	8.8
179.07178	25.1
181.08684	10.1
192.00623	47.1
193.01361	13.9
194.02251	12.7
207.02965	31.9
223.06119	12.0
234.01610	15.0
235.11888	17.2
312.04758	17.1
327.07199	100.0
367.16055	80.9
403.12756	54.4
403.16141	78.8
424.61157	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1393
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.66665	0.3
51.92896	0.2
53.03951	0.2
55.01881	0.4
57.03437	0.5
59.01377	11.5
61.98823	5.0
65.24368	0.3
65.56682	0.2
71.01379	5.7
71.46290	0.3
73.02949	2.4
83.01397	1.0
85.02946	2.0
87.00882	0.9
89.02436	1.8
95.01408	0.7
99.00900	0.6
101.02448	4.2
113.02448	2.3
115.32804	0.2
119.03497	0.7
161.04567	0.8
162.79767	0.3
181.06613	1.6
181.12357	1.0
183.04504	0.7
195.13399	0.3
197.06099	2.5
198.06796	2.1
199.13368	1.5
209.06114	0.6
224.04672	0.3
225.05553	34.7
226.06284	8.4
227.06590	0.5
239.07066	0.9
240.07875	0.3
241.08678	100.0
242.06776	0.5
242.09058	5.6
343.17523	3.1
359.24326	0.3
361.18640	7.4
362.18881	0.9
403.14316	1.1
403.19611	23.5
404.19846	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.9
61.98825	10.6
70.13959	5.6
71.01358	3.1
86.60196	2.5
89.02460	3.0
96.96022	3.2
101.02462	2.8
111.08141	12.3
139.07616	7.1
140.29665	2.7
155.07173	2.8
157.08716	5.7
165.05670	2.7
185.39455	2.4
201.07686	100.0
202.08124	3.6
211.02504	3.9
216.04117	2.5
221.27443	2.3
223.06099	5.1
237.45197	2.2
239.21805	2.3
241.07239	3.0
263.09467	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.5
61.98829	13.6
64.68372	1.5
69.40396	7.6
69.40721	2.0
71.01380	1.7
89.02452	2.0
96.96017	11.6
98.67815	1.5
109.02940	2.0
111.08182	13.5
124.01569	1.8
135.04561	1.6
139.07628	6.9
145.33662	1.5
155.07143	6.5
157.08698	6.3
165.05527	4.1
166.02661	1.8
169.01408	1.8
182.02289	1.8
201.07684	100.0
202.08121	3.6
211.02538	2.7
223.06081	3.5
241.06924	2.0
303.70016	1.8
403.12344	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	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03433	3.2
59.01378	100.0
60.01711	1.5
61.98832	1.5
67.97022	0.8
69.22700	4.3
71.01379	45.0
72.99297	1.9
73.02950	3.2
83.01401	1.8
85.02938	8.3
87.00866	2.5
89.02441	63.1
90.02787	0.8
92.41122	0.8
95.01377	3.1
98.21860	1.4
101.02444	21.4
108.43069	0.7
109.06591	11.9
113.01688	1.4
113.02444	17.9
113.06065	0.8
114.31211	0.8
119.03504	25.3
125.02419	0.7
127.42174	0.7
131.03499	2.2
133.10233	5.1
137.09694	1.4
143.03510	5.2
149.04539	1.9
151.11273	3.7
153.09171	1.7
160.03613	0.7
161.04582	5.5
161.13351	2.6
163.11252	1.5
176.12265	0.8
177.05486	0.9
179.05608	18.4
181.08665	2.2
181.12331	0.9
197.11809	5.3
223.13373	58.6
224.13708	3.5
239.05577	2.4
241.10808	17.5
242.11229	1.6
243.68535	0.8
255.04887	0.8
272.01117	0.8
403.19812	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	403.197
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01864	0.9
57.03433	3.2
59.01378	100.0
60.01711	1.5
61.98832	1.5
67.97022	0.8
69.22700	4.3
71.01379	45.0
72.99297	1.9
73.02950	3.2
83.01401	1.8
85.02938	8.3
87.00866	2.5
89.02441	63.1
90.02787	0.8
92.41122	0.8
95.01377	3.1
98.21860	1.4
101.02444	21.4
108.43069	0.7
109.06591	11.9
113.01688	1.4
113.02444	17.9
113.06065	0.8
114.31211	0.8
119.03504	25.3
125.02419	0.7
127.42174	0.7
131.03499	2.2
133.10233	5.1
137.09694	1.4
143.03510	5.2
149.04539	1.9
151.11273	3.7
153.09171	1.7
160.03613	0.7
161.04582	5.5
161.13351	2.6
163.11252	1.5
176.12265	0.8
177.05486	0.9
179.05608	18.4
181.08665	2.2
181.12331	0.9
197.11809	5.3
223.13373	58.6
224.13708	3.5
239.05577	2.4
241.10808	17.5
242.11229	1.6
243.68535	0.8
255.04887	0.8
272.01117	0.8
403.19812	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	403.1973
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
54.88586	0.5
55.01862	1.3
57.03433	1.6
58.00583	0.5
59.01378	46.8
60.31445	0.4
61.98824	1.8
66.06991	0.4
69.03431	0.4
69.17892	1.4
69.18302	1.0
71.01379	16.5
71.78622	0.4
72.99293	0.6
73.02944	8.0
75.00874	0.4
83.01369	3.5
85.02950	10.2
86.00076	1.0
86.03267	0.4
87.00867	2.4
87.04481	0.7
89.02444	3.3
95.01381	2.0
97.02938	0.9
99.00872	1.7
101.02444	13.0
111.00864	0.8
112.22005	0.4
113.02459	5.0
119.03493	1.2
120.44128	0.4
124.01649	0.9
125.02428	1.3
129.83549	0.4
142.02660	0.4
143.03511	0.5
155.10756	0.6
161.04541	0.9
181.12350	2.1
199.13406	9.1
239.33385	0.4
241.08487	0.5
250.64160	0.4
259.00113	0.5
317.19318	0.7
343.17581	12.1
343.21515	1.1
344.17935	1.1
361.18643	38.6
362.18909	2.6
363.98148	0.5
403.19656	100.0
404.20013	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	403.197
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
50.57021	0.6
55.01876	1.2
57.03455	4.3
58.00607	1.6
59.01377	100.0
60.01706	1.2
61.98835	1.7
65.26990	0.7
69.41452	1.5
69.41839	1.4
71.01379	55.8
72.01740	0.7
72.99300	1.8
73.02940	5.1
81.03474	0.6
83.01392	2.9
85.02943	10.4
86.36653	0.7
86.55999	0.5
87.00888	3.9
89.02440	70.2
90.02764	0.6
95.01390	3.9
97.02914	1.1
97.06583	0.6
99.00874	1.8
99.04507	0.8
101.02441	30.2
109.06586	16.0
113.02449	20.2
113.06094	1.5
114.59818	0.6
119.03499	25.7
125.02476	1.1
131.03517	2.8
133.10214	5.6
135.86655	0.7
137.09767	1.7
143.03499	5.6
149.04579	2.2
151.11258	5.3
153.09160	1.4
154.48781	0.7
161.04565	6.4
161.13318	3.4
163.11299	1.5
163.88310	0.8
179.05612	20.1
179.07150	1.3
179.10738	0.7
179.14441	2.3
181.08711	1.7
181.12379	1.8
197.11795	3.3
205.12352	0.7
223.13377	66.1
224.13765	3.7
239.05731	1.7
241.05077	1.1
241.07228	1.3
241.10834	7.2
242.11180	1.0
243.12201	0.9
255.05162	1.2
312.60519	0.9
328.73318	0.7
343.14017	0.9
359.20499	0.8
403.15439	1.3
403.19669	20.5
404.20096	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	403.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54659	0.8
59.01374	3.3
60.54579	0.8
61.98818	3.1
70.46685	1.5
71.22771	0.8
76.03207	0.7
81.03458	3.5
81.80885	0.7
83.85894	0.7
89.74843	0.8
95.28069	0.8
96.02161	2.8
98.21941	1.1
99.92570	1.4
110.57132	0.8
112.73581	0.8
122.03764	4.5
123.00888	1.9
123.04526	18.8
124.01656	6.4
125.02439	7.8
131.86098	0.9
152.01129	6.7
165.01894	1.2
165.05565	5.3
166.02678	1.6
213.09784	0.9
222.42828	0.8
234.93300	0.9
248.94830	1.0
293.21237	4.8
321.20679	100.0
322.20926	8.0
334.20966	1.5
387.47531	0.9
403.28781	12.4
404.13000	7.5
404.28720	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	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72486	43.0
61.50935	43.2
61.98817	100.0
66.28732	40.2
72.52954	39.6
84.58720	38.7
85.22529	38.5
87.00874	45.7
93.36889	37.8
219.17584	51.9
231.80614	48.0
279.15744	42.0
339.18207	50.6
367.13608	81.5
395.20163	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2484
Annotation	Gibberosin I
Peak:m/z	Relative Intensity
55.01877	1.2
57.03430	0.7
59.01377	5.7
61.43774	0.4
61.98815	0.6
69.03441	1.0
69.22671	2.7
71.05016	0.8
75.00814	0.4
76.56866	0.4
79.05524	2.1
81.03446	1.6
82.95389	0.4
83.05037	0.6
93.03449	0.9
95.05025	0.9
96.02166	0.5
97.02959	7.2
97.93119	0.8
97.99229	0.5
99.92583	31.7
100.93351	4.0
105.03430	0.7
106.04252	0.6
107.05034	5.5
109.02950	5.3
109.06589	5.1
109.82406	0.4
110.03753	0.9
111.04527	4.2
115.92084	6.2
116.56206	0.6
116.92831	0.7
122.03757	0.8
123.04529	18.1
124.01639	0.5
125.02379	0.5
125.06063	2.7
134.03757	1.2
135.04517	4.4
136.05299	1.0
137.02441	6.4
138.03227	1.6
139.03983	0.6
141.01756	0.9
142.59265	0.5
147.04512	0.7
149.06049	3.3
151.04004	20.9
152.04555	0.8
153.05574	23.1
154.05931	0.8
161.02472	0.8
161.06133	0.7
162.03242	0.9
165.05557	1.5
167.07072	1.1
175.03989	1.4
176.04794	1.0
177.05565	2.5
179.03516	1.2
180.04321	1.4
189.05542	0.7
189.52373	0.5
193.05064	1.3
195.06639	2.1
195.14984	0.5
198.81952	0.5
223.20776	0.5
225.18567	3.0
259.20609	1.5
277.21732	1.2
289.21597	0.5
291.23331	1.1
293.17511	3.9
299.23843	0.5
301.21698	11.8
302.22247	1.1
303.23285	0.5
305.21100	0.9
315.23181	3.9
317.21439	0.5
317.24808	0.7
319.22668	0.7
321.20758	0.6
328.20340	0.5
331.22702	0.9
331.26511	1.5
333.24329	10.0
334.24576	0.7
343.22775	11.4
344.23065	1.4
361.23840	36.5
362.24274	3.1
375.25412	0.5
385.14713	2.9
386.15430	1.8
395.45087	0.5
403.15900	8.3
403.24854	100.0
404.16824	5.3
404.25137	12.4
417.13742	7.0
418.13885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2486
Annotation	Sicanatriol 7beta,18-diacetate
Peak:m/z	Relative Intensity
51.51912	1.1
53.60672	1.1
55.01875	1.6
59.01375	5.0
61.98814	3.3
69.26526	5.5
71.01379	1.0
75.52987	1.1
105.87067	1.0
108.01450	1.0
118.89930	1.2
132.22685	1.1
136.05307	1.4
149.06029	1.1
220.78188	1.0
227.84428	1.2
255.39720	1.0
287.20151	2.0
289.21701	3.4
299.23776	12.0
300.24213	1.4
301.21713	2.3
315.23160	3.1
317.21182	4.7
317.24847	8.3
318.25226	1.6
321.20740	5.8
343.22751	41.9
344.23087	4.2
345.20639	9.3
346.21280	2.1
360.22955	1.3
361.23810	100.0
362.24094	11.4
385.00046	1.6
385.08322	2.1
393.46448	1.1
403.06189	4.6
403.24771	26.5
404.25171	4.6
424.96521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.5
59.01376	8.5
59.73252	0.2
61.98823	0.4
62.08029	0.3
63.02394	0.3
65.00336	0.5
65.73178	0.2
69.27336	0.2
69.57669	0.3
69.58007	0.9
71.63089	0.2
74.38578	0.2
79.05518	0.4
79.49218	0.3
81.03452	14.0
83.01387	10.8
97.06568	1.1
98.21116	0.2
98.22584	0.5
105.03455	0.9
107.01392	0.5
121.02954	1.0
122.02876	0.6
122.03741	9.6
123.04523	58.2
124.04850	1.8
125.02443	100.0
126.02776	2.6
149.02441	1.9
151.00348	0.8
165.05562	22.3
166.05920	1.1
167.03508	1.6
277.21722	4.7
278.22128	0.6
327.82474	0.3
334.21362	0.4
361.27509	2.1
387.90622	0.3
403.24704	4.1
403.28604	24.7
404.24374	0.5
404.29272	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	403.2851
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
57.03430	1.0
59.01377	16.9
61.98827	1.3
69.73402	1.6
69.73752	1.7
79.05548	0.9
81.03453	20.9
82.03809	0.8
83.01398	1.8
92.27842	0.8
97.06586	1.7
105.03465	1.2
113.48080	0.7
114.05296	0.9
121.06532	1.0
122.03736	15.3
123.04522	100.0
124.04851	2.8
125.02439	15.6
157.48471	0.7
165.05563	37.9
166.05951	1.2
268.69403	0.7
303.66595	0.7
316.80804	0.7
361.27368	3.7
403.28558	41.0
404.29239	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	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15297	0.3
54.26805	0.4
59.01351	0.4
61.98828	100.0
71.42896	0.4
102.37321	0.3
258.08136	0.3
276.92334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34332	0.3
59.01369	0.3
61.98827	100.0
69.33523	0.9
69.33936	0.8
82.02644	0.3
128.91855	0.3
153.01869	0.3
187.47821	0.3
285.69278	0.3
398.64896	0.4
404.09482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97845	0.8
58.02977	9.4
59.01387	1.2
60.35121	1.0
66.21902	0.8
70.02943	1.5
71.01331	0.9
72.00901	1.5
74.02470	20.0
76.22639	0.9
82.02986	1.5
85.17992	0.9
86.02467	6.2
87.05652	5.1
90.00182	1.5
97.04063	2.3
97.64799	0.8
98.21803	1.9
99.05643	17.5
102.05618	2.6
107.06145	1.6
109.04019	2.3
112.04048	2.5
116.01808	0.9
123.05614	0.9
124.04013	1.5
125.03536	2.0
127.05119	3.5
127.87281	0.9
128.03539	45.4
129.99660	1.1
135.05675	4.5
138.82837	1.0
141.06708	4.3
141.97801	0.8
143.04619	65.9
144.04979	1.2
145.06181	2.8
146.04608	5.9
153.06667	4.9
160.00740	17.9
166.09824	3.4
167.04538	4.9
167.08247	2.4
176.94362	0.9
177.03400	5.9
179.04601	10.2
181.06219	1.4
185.05670	2.2
197.05687	2.1
210.08803	10.3
228.09879	1.0
242.07816	1.6
254.07806	19.2
272.05984	2.0
272.08859	31.0
273.08994	1.6
288.06519	11.6
289.06522	1.1
291.23483	0.9
294.62793	1.0
306.07629	100.0
307.07932	4.3
324.05167	1.0
404.15121	1.2
405.17639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84799	0.4
59.01389	0.6
61.98830	100.0
68.91865	0.4
71.67727	0.4
75.42089	0.4
97.67197	0.5
103.74729	0.4
233.24120	0.4
239.01459	0.4
291.05960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49903	0.3
59.01366	0.7
61.98814	0.5
69.97575	0.8
75.70786	0.4
81.90697	0.3
92.21771	0.4
94.65334	0.4
95.16953	0.4
98.21780	0.3
99.92581	100.0
100.92593	5.1
100.93348	1.9
101.61999	0.4
101.93404	0.6
109.56931	0.4
115.68839	0.4
115.92069	3.5
116.92085	1.0
116.92863	0.5
121.02980	0.6
129.92703	0.4
152.01143	0.4
158.69861	0.4
165.01825	0.4
219.13187	0.5
221.15239	0.4
223.94881	0.4
244.07561	0.4
293.17560	4.3
294.17780	0.8
295.49353	0.3
301.21640	3.7
302.22061	3.3
303.22705	0.5
315.15762	2.6
332.26764	0.5
341.47559	0.4
347.22482	0.4
359.26120	0.4
368.14468	0.6
382.12405	0.6
384.13986	2.2
386.15497	7.8
387.15933	0.9
396.10040	0.7
398.11420	0.5
402.14871	0.7
404.16510	14.9
404.24084	0.6
405.16577	1.9
405.23969	1.7
418.13965	2.0
419.14273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	25.5
61.98830	100.0
66.10530	11.4
69.40152	11.2
69.49659	41.6
75.65000	10.6
85.36737	10.8
89.02469	11.2
114.13686	10.3
181.92343	12.2
207.10199	45.9
290.48874	11.7
343.39914	12.2
404.19669	17.0
405.16745	41.0
405.21243	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78249	2.2
53.61718	1.8
61.98829	100.0
171.77879	2.0
342.25864	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	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.1
61.98828	100.0
70.65778	1.8
211.13327	2.1
322.99222	1.0
412.11050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74639	13.9
73.17895	8.1
102.10846	8.3
161.34033	8.5
227.64331	11.4
235.06964	9.1
275.20071	40.8
303.19629	100.0
304.20258	15.5
318.22214	21.4
339.23148	10.7
361.23798	72.0
362.24283	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	404.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00036	5.3
59.01373	7.2
61.98821	32.0
69.58727	20.5
76.23401	5.8
81.03439	20.4
81.59103	5.3
86.93069	5.1
110.72962	5.8
117.36168	5.5
122.03720	12.5
137.06078	100.0
148.74669	5.3
361.23846	81.8
362.24139	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	404.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92648	1.6
59.26500	1.7
61.10578	1.6
61.98829	10.1
69.43498	8.7
82.18107	1.9
97.02945	5.3
107.05013	2.2
109.02925	5.0
109.06571	4.4
111.04510	3.4
116.92827	4.7
123.04519	8.2
125.06115	1.7
137.02458	3.6
138.03224	2.0
151.04001	10.2
153.05560	15.7
160.00394	1.7
212.35773	2.5
215.75192	2.1
244.03966	1.7
265.14304	3.6
277.18228	1.7
318.04184	1.8
319.22949	3.0
333.24310	8.8
343.22809	6.0
347.22153	8.6
361.23825	100.0
362.06918	5.0
362.24179	9.6
363.25418	20.6
404.25299	5.1
405.26520	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	404.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	7.0
69.41750	4.6
81.49450	1.3
91.71030	1.4
92.52002	1.4
111.37449	1.5
118.91193	1.4
122.03741	54.0
123.04074	1.9
124.01607	1.4
128.00171	1.5
137.06073	51.1
138.06302	1.4
139.03970	2.6
163.03969	2.2
177.05690	1.5
238.95811	1.6
268.87515	1.4
328.38074	1.5
361.23807	100.0
362.24005	10.2
404.25485	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	404.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
61.98825	40.4
69.49852	9.7
69.50239	7.9
78.58933	3.5
83.60402	3.9
92.92784	4.0
98.21880	7.4
116.92837	6.6
135.04459	3.9
145.59737	4.2
297.68341	4.0
319.22763	100.0
320.23181	7.6
342.88538	4.1
361.23785	70.9
362.06909	5.1
362.24301	9.6
369.05460	5.4
373.23636	6.5
404.24902	5.8
405.26456	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	404.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09716	2.0
55.31780	1.9
59.01371	2.8
61.98817	9.2
66.80772	2.1
69.52444	6.3
69.52836	3.0
93.03432	5.4
108.02153	17.6
109.02941	5.1
121.02955	11.7
123.04520	9.8
137.02437	30.0
138.03198	7.1
151.03967	6.8
153.05592	23.7
279.15967	3.0
301.21664	4.9
317.21112	3.2
318.14401	2.1
325.81174	2.4
329.21127	9.8
347.72437	2.5
361.23755	100.0
361.27606	12.9
362.24161	10.9
362.28015	3.1
369.05438	5.7
404.24683	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	404.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83778	1.1
61.98817	4.3
69.80865	2.1
81.03455	35.2
90.45810	1.3
123.04525	100.0
124.04877	2.7
167.06287	5.1
250.25839	1.4
278.80386	1.1
281.17520	2.6
285.15234	1.1
296.82208	1.1
319.19104	4.1
320.19919	4.3
352.49954	1.2
361.27481	46.3
362.27936	6.7
377.23032	1.3
404.11887	21.1
404.24588	1.8
405.11960	3.6
405.22662	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	404.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.2
61.98832	100.0
69.33495	18.6
69.33884	20.3
82.23193	8.0
94.92491	11.5
98.21857	19.9
98.70628	8.7
99.92590	9.2
116.92867	8.6
123.04501	12.6
131.55980	10.5
134.81726	8.0
137.02415	13.8
151.03993	10.3
153.05586	17.4
332.23318	10.8
347.22391	13.9
361.23648	58.2
361.27573	75.7
362.06766	8.4
362.27713	20.4
369.05414	18.6
387.29163	16.2
404.25003	11.3
405.30539	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	404.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89788	2.6
61.98831	24.2
64.13855	2.6
67.08384	2.7
70.72285	4.3
72.14770	2.6
74.41667	2.8
74.86918	2.9
81.03452	29.2
82.03779	3.4
90.91029	2.7
116.92865	4.3
123.00918	4.1
123.04519	67.6
134.85120	2.6
137.06076	11.4
138.06450	6.1
145.18741	2.8
147.20264	2.9
207.37596	2.9
235.94270	2.6
261.07251	2.8
292.35818	3.5
322.21002	13.4
347.22205	3.7
348.22983	9.4
361.27472	100.0
362.27838	10.0
404.12595	18.2
405.26312	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	405.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.9
61.98827	100.0
75.61017	0.5
78.01890	0.7
116.92838	1.2
147.82785	0.6
147.99899	0.6
150.62573	0.5
172.80811	0.5
275.23785	0.7
312.06201	0.6
348.19147	0.6
369.15128	0.8
405.26541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
61.98827	100.0
71.01374	2.0
75.99558	0.3
89.02450	1.2
92.97429	0.4
98.21786	0.6
101.02464	1.5
113.02445	0.7
117.05592	0.4
119.03525	0.6
125.02437	1.8
161.02495	0.7
162.05629	0.7
167.03612	0.4
191.03545	0.5
225.11270	1.9
254.59070	0.3
275.41278	0.3
287.05789	0.4
342.11905	7.2
342.15753	0.6
343.12061	0.5
405.17636	3.8
406.06253	0.5
406.18018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02380	0.6
59.01381	5.4
61.98832	2.4
65.45456	0.3
69.03455	60.5
70.03793	1.0
71.01372	2.1
71.45068	0.5
73.02940	1.1
79.01888	27.3
80.02235	0.7
81.03452	2.8
83.01412	0.6
85.02950	1.9
86.23872	0.4
89.02455	1.2
93.03479	1.8
94.17315	0.4
95.01379	2.8
97.02949	36.1
101.02448	1.6
105.82650	0.4
107.01389	65.4
107.05042	1.0
108.02205	8.7
109.02944	8.2
113.02457	1.3
117.03461	0.5
119.03483	0.4
119.05041	0.5
121.02953	7.1
122.03742	0.9
123.00902	5.2
123.04561	1.2
125.02447	72.3
126.02765	2.0
133.02985	3.1
133.70030	0.4
134.03734	1.2
135.00859	2.6
135.04521	2.3
136.01663	7.2
137.02451	6.3
139.03951	0.4
145.02951	0.9
149.02423	3.1
150.03229	1.1
151.00368	80.9
151.04001	1.6
152.00859	3.1
153.01939	20.0
154.02315	0.5
161.02423	1.0
162.03250	0.4
163.03996	8.3
164.04431	0.4
165.01878	0.6
169.06523	0.4
175.03993	0.6
177.01929	11.8
178.02296	0.6
179.03560	0.8
187.04111	0.4
189.01942	0.7
191.03568	0.7
194.02237	0.6
197.06073	5.5
198.06737	0.7
207.02969	1.8
213.05583	1.1
215.07199	0.7
219.03038	1.1
225.05476	0.4
231.54422	0.4
242.05844	100.0
243.06578	52.8
244.06952	3.3
267.06503	0.7
285.07715	5.8
297.06082	20.2
298.06522	1.3
345.22729	0.5
354.12985	0.4
359.22220	0.5
405.11871	23.3
405.21155	2.5
405.25165	1.7
406.12070	2.4
412.77283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1187
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01377	1.5
61.98830	0.3
65.00310	0.5
69.03430	0.6
72.34657	0.2
77.03994	0.3
77.16796	0.2
78.23112	0.2
79.01871	0.2
80.02652	0.3
91.01893	14.3
92.02185	0.4
93.03429	0.9
95.01382	0.4
96.95986	0.4
107.01381	0.4
107.05014	0.7
108.02168	21.3
109.02975	3.4
121.02920	0.8
123.00879	3.6
123.04505	0.4
124.01650	0.5
125.02460	0.5
135.00880	14.2
136.01144	0.4
137.02440	6.5
148.90900	0.7
151.00381	0.3
152.01146	16.8
153.01558	0.7
169.06589	0.3
173.80115	0.2
197.06044	1.9
199.07610	0.6
212.99026	0.2
213.05615	1.2
215.07018	1.1
227.73306	0.2
242.05820	0.5
243.06590	100.0
244.06926	6.2
277.10410	0.2
292.22470	0.3
295.92340	0.2
405.07535	0.7
405.11887	7.5
406.12296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.7
57.56020	0.4
59.01376	18.6
60.69661	0.5
60.95993	0.4
61.98823	2.0
62.91910	0.4
71.01370	2.5
73.02950	1.3
75.00858	0.8
76.54753	0.4
77.03908	0.4
81.03468	1.7
83.01367	4.4
85.02950	0.8
89.02458	0.7
95.05013	1.9
97.02927	0.5
101.02438	1.5
105.03459	4.3
107.29736	0.5
108.02193	0.4
109.02966	0.9
113.02460	1.4
117.05577	23.7
119.03524	0.5
119.05027	1.0
123.04538	0.9
124.01696	0.6
125.02444	100.0
126.02779	2.4
129.71498	0.4
133.02951	0.9
137.02441	6.7
139.04044	0.6
143.04959	0.4
147.04506	0.6
149.02470	0.9
159.04552	1.9
161.02438	40.3
162.02916	1.8
163.03989	0.6
164.01224	0.5
165.01814	0.7
166.02687	1.2
167.03522	1.2
169.80597	0.4
171.04535	0.6
173.02371	0.4
173.06067	0.8
177.05548	3.8
179.03474	0.7
181.05104	0.5
191.03506	1.4
197.06203	0.8
199.03935	0.6
201.05615	2.7
203.03532	1.3
219.06625	1.3
225.05611	1.2
227.03528	1.8
229.01350	1.1
241.05052	0.8
243.06590	12.6
244.06956	1.2
265.14456	3.7
267.08743	0.7
269.04529	5.8
270.05032	0.6
281.13910	8.1
282.14618	1.5
287.05582	9.7
288.05975	0.6
305.06638	3.9
329.06616	2.0
345.15549	0.6
405.11920	1.3
405.17160	1.0
406.06015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.03426	1.0
59.01379	26.1
59.01659	1.2
62.44839	0.7
63.66234	0.7
69.03455	52.4
69.71452	0.9
69.71793	2.5
71.01388	15.5
72.99290	0.8
73.02919	1.5
75.27888	0.6
75.75790	0.7
79.01887	26.3
81.03418	3.4
83.01385	0.8
85.02956	3.5
87.00838	1.4
89.02441	9.7
93.03437	1.3
95.01357	3.7
97.02952	35.8
98.21912	1.4
99.00830	1.0
99.04481	0.7
100.11776	0.7
101.02432	7.9
107.01387	66.1
108.02186	24.5
109.02965	10.7
109.03700	1.2
113.02457	5.8
119.03498	4.5
121.02943	5.6
122.03707	0.9
123.00887	4.5
123.04485	1.2
125.02447	64.2
126.02757	2.0
133.02930	2.9
135.00813	2.6
135.04475	1.9
136.01671	6.5
137.02460	5.8
139.11279	1.5
143.03532	1.4
149.02460	3.5
149.03439	0.9
151.00368	72.2
151.03918	2.8
152.00932	3.1
153.01932	21.4
153.12843	2.2
154.02229	0.9
161.04570	1.3
163.04001	8.0
164.95401	0.7
177.00473	0.8
177.01932	12.0
179.05562	2.4
197.06042	5.7
198.06721	1.1
199.07668	9.8
199.13333	1.3
207.02948	1.9
225.15041	1.0
242.05840	100.0
243.06575	58.0
243.12212	2.5
244.06979	2.9
276.49097	0.7
285.07721	5.8
285.13315	0.9
297.06082	22.1
298.06558	1.7
303.05157	2.0
321.83487	0.8
343.24777	1.2
345.15512	1.1
345.22833	3.1
404.54971	0.8
405.12000	30.9
405.20764	28.1
405.25006	5.4
406.12262	2.2
406.21558	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	405.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77095	12.7
55.96445	13.0
58.10423	13.7
61.98834	29.1
63.25965	14.2
69.41734	78.3
74.13820	14.0
91.57632	16.1
113.92446	14.5
152.06853	14.7
207.10312	100.0
399.62842	18.9
405.13177	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.69388	0.7
60.01724	1.0
61.98814	2.6
62.58770	0.8
63.34899	0.7
65.34428	0.7
71.01374	4.4
73.02941	2.1
75.51769	1.1
85.02931	2.2
86.20730	0.8
89.02426	1.9
99.00875	0.8
101.02438	4.6
109.19888	0.8
113.02433	3.0
122.47328	0.8
141.24997	0.9
161.04527	3.2
168.57930	0.8
189.05592	2.5
262.92047	0.9
295.10782	0.9
345.19107	12.5
346.19601	0.9
369.11826	2.1
375.03601	0.9
405.21368	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	405.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05626	4.0
57.47810	4.8
59.01377	25.4
61.98822	31.3
69.37496	20.2
71.01382	7.4
88.66483	4.4
101.49893	4.4
105.75510	4.9
183.10283	5.3
185.72861	4.5
207.10246	100.0
233.34325	5.0
328.09402	4.5
369.11835	9.8
405.12732	8.5
405.17026	8.1
405.21350	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	405.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39851	10.1
59.01379	100.0
61.98843	19.6
69.35088	53.5
73.02971	11.4
104.66257	11.3
111.50654	9.6
150.03177	12.7
165.05595	14.3
213.12064	10.3
308.30524	12.5
405.16705	12.8
405.25424	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	405.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
58.00589	2.1
59.01377	96.2
61.98825	20.6
70.34756	2.8
71.01382	55.2
72.99311	2.5
73.02943	2.6
74.99446	1.3
75.00870	1.3
75.29475	1.3
78.85786	1.3
82.95401	2.5
83.01377	3.5
85.02950	10.9
85.69727	1.2
87.00874	8.6
88.98802	2.8
89.02444	72.2
95.01390	4.3
96.96961	1.8
97.02947	1.7
98.99403	2.8
99.00864	1.6
101.00965	2.2
101.02444	33.3
103.04035	1.4
103.92001	1.6
109.02962	2.4
111.00876	2.3
113.02449	20.0
113.96014	1.2
114.94930	1.3
115.99658	1.9
117.00465	3.0
119.03493	29.9
121.02948	3.9
123.00923	1.7
125.00974	2.6
125.02382	1.8
131.03535	3.6
135.04510	3.2
138.03221	3.6
139.04007	1.6
141.00453	25.2
143.03526	4.3
143.99084	1.9
149.02437	16.6
153.00479	2.5
153.01907	5.8
155.01981	1.8
160.01686	2.0
161.04559	4.5
165.01935	4.7
167.03485	1.6
168.99976	2.7
169.05104	1.8
171.94633	2.9
177.01924	100.0
178.02341	4.7
179.03488	5.4
179.05647	9.2
180.04259	4.5
183.01483	5.1
191.03461	2.1
192.04269	53.0
193.04684	2.8
195.02979	5.8
195.06581	9.4
207.06596	16.9
210.05299	5.5
225.07661	18.2
243.03477	2.1
243.08771	1.5
267.07217	1.7
285.08310	29.6
286.08447	1.7
297.09711	1.7
303.09299	4.7
304.06073	3.5
327.09268	2.1
345.10388	34.3
346.10660	3.3
387.12976	13.1
405.13754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64973	1.8
58.00582	3.4
59.01377	100.0
59.36071	2.0
60.01700	2.2
61.98821	21.3
67.88966	1.8
71.01379	64.1
71.19478	2.3
72.01725	2.3
72.99291	2.9
73.02962	4.2
82.95406	3.2
84.47773	1.9
85.02936	12.7
87.00874	9.7
88.98811	12.2
89.02442	85.4
95.01393	3.7
98.99374	3.8
99.00896	3.5
101.02438	37.5
109.02935	2.2
112.97698	1.9
113.02448	24.0
119.03502	34.1
121.03008	3.5
131.03490	2.8
138.03253	2.4
139.00310	3.2
141.00438	16.7
143.03503	4.6
149.02425	16.0
149.04536	3.7
153.01932	4.4
155.03572	2.2
161.04526	4.5
165.01898	4.1
169.01389	2.4
177.01921	95.4
177.03473	5.1
178.02312	2.3
179.03577	9.5
179.05562	12.7
179.06902	2.3
180.04279	6.2
192.04286	49.6
193.04706	4.6
194.05841	3.7
195.02948	5.9
195.06621	22.2
197.91724	3.6
207.06586	23.6
210.05295	10.5
225.07661	22.0
241.90797	4.2
285.08319	6.8
315.07227	3.2
330.47006	2.1
345.10513	14.8
346.10428	2.9
357.11810	3.3
387.12949	12.6
404.96573	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	405.1401
Annotation	Harpagide 7-acetate
Peak:m/z	Relative Intensity
56.43307	0.7
57.03436	1.5
58.00583	1.2
59.01378	23.1
59.87641	0.8
61.98804	2.3
62.64997	0.7
70.07365	2.4
71.01378	7.6
72.99305	1.5
73.02621	0.8
73.02944	7.7
75.00835	0.9
79.95753	1.1
83.01356	1.2
83.04992	1.2
85.02922	3.4
87.00861	1.3
89.02420	3.4
89.10291	0.7
96.95975	1.6
99.00838	3.1
100.00375	1.6
101.02431	5.2
107.05017	1.3
111.08148	2.1
113.02409	3.3
117.03480	0.8
119.03516	1.7
119.04372	0.9
119.05025	9.9
120.99689	1.7
124.01581	1.2
125.02406	2.2
125.09678	2.8
127.11256	2.2
129.01883	1.2
137.09680	2.2
139.03975	1.4
139.11180	0.8
141.09146	1.2
143.10727	2.4
145.02953	6.0
153.09190	1.8
155.10811	0.9
157.08652	1.5
161.04521	1.6
163.03923	3.1
165.05403	0.9
171.10251	20.2
172.10661	1.2
177.05460	0.9
183.10211	4.6
185.08145	1.1
187.09740	5.6
197.08217	1.3
199.09753	9.7
206.04497	4.1
225.07730	1.1
225.11317	1.1
242.08014	3.8
243.08713	100.0
244.09061	5.6
267.08630	1.0
282.11353	1.6
285.09818	1.4
287.14868	2.9
297.08606	1.2
319.13525	0.9
326.10309	1.8
329.11346	1.7
359.11258	1.0
361.14728	1.5
362.06873	1.1
405.13831	43.9
406.06052	15.9
406.13950	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	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.4
59.01383	100.0
66.23128	7.5
66.36894	8.2
69.78049	8.4
71.01376	26.2
73.02948	17.5
79.14814	9.1
85.02938	21.5
89.02451	21.5
101.02444	24.4
109.02956	41.2
111.11077	10.6
113.02379	10.5
125.02464	12.7
137.02397	17.5
153.01959	83.5
181.05092	9.9
201.11566	11.1
236.47667	8.5
243.06631	41.8
307.07166	11.2
345.22684	18.4
351.33963	10.1
365.73376	9.5
405.10312	20.5
405.16299	15.9
405.21280	16.1
405.25421	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97710	12.1
53.41043	10.4
53.76920	11.1
59.01381	100.0
60.82967	13.5
61.98828	12.2
69.45712	41.9
71.01361	11.0
84.33417	9.9
89.02425	15.5
115.18839	11.3
326.11008	12.1
405.16635	54.6
405.21344	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
57.03429	1.1
58.00591	0.8
59.01377	72.6
69.48770	1.9
69.49186	1.0
71.01379	39.4
72.99294	1.7
73.02949	3.5
77.27496	0.6
83.01376	2.0
85.02942	8.1
87.00830	1.0
89.02442	33.3
95.01384	2.6
101.02435	21.1
102.81554	0.6
108.02170	1.2
109.02975	3.1
113.02450	11.1
119.03496	13.6
125.02383	1.2
127.07661	1.1
127.11292	1.4
131.03485	0.8
139.11293	1.1
143.03452	2.1
149.04512	1.0
153.01944	3.9
153.12842	7.2
161.04532	1.8
179.05614	3.2
181.12337	0.9
194.60304	0.6
199.13390	4.5
225.14973	4.4
249.50220	0.6
321.02560	0.6
343.24857	1.1
345.22815	1.9
387.20038	1.6
405.11847	10.2
405.21136	100.0
406.12253	1.2
406.21582	8.0
424.60254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03447	5.4
58.00578	0.7
59.01378	56.5
61.98537	0.7
61.98830	6.5
68.23537	0.5
69.89034	1.4
69.89385	0.9
71.01379	34.3
72.99310	4.5
73.02940	4.6
83.01388	4.0
83.05015	1.4
85.02956	8.0
87.00858	3.3
89.02439	29.6
95.01384	2.5
95.05016	0.5
97.02940	0.9
99.00873	1.0
101.02439	18.5
108.02182	0.8
113.02447	12.5
119.03502	14.6
124.01673	1.9
125.06054	0.7
131.03479	0.6
134.07367	0.8
135.08154	2.1
137.09700	1.1
139.07674	1.3
139.99365	0.6
143.03476	2.0
143.10728	0.9
149.04535	1.4
149.09706	10.8
153.09221	7.9
155.01740	1.5
159.03004	0.8
161.04536	4.4
163.07594	1.2
165.06668	1.7
167.10768	20.0
168.11107	1.0
171.10254	2.9
179.05659	3.1
179.10765	0.9
183.07755	7.2
189.09297	0.9
207.10231	1.8
209.11815	1.7
225.11328	5.3
225.14861	1.1
226.11888	0.7
227.12921	0.7
243.02991	1.4
243.12439	3.5
243.15945	4.5
245.07936	1.5
306.07941	0.7
325.03577	2.4
333.15472	3.4
345.15546	1.3
359.17075	1.3
387.16580	3.4
405.00003	2.6
405.17621	100.0
406.17972	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91130	0.6
57.03434	1.9
59.01377	43.4
60.01727	0.7
69.25492	3.4
71.01376	4.8
73.02945	6.2
83.01383	0.8
85.02938	2.3
89.02425	3.5
95.01397	0.7
98.21880	1.5
101.02438	5.0
106.91552	0.6
111.08189	1.0
113.02453	2.4
113.73402	0.6
119.03447	1.3
119.21357	0.5
121.10197	1.4
125.02443	1.1
129.05637	0.6
135.32234	0.6
139.11287	17.7
140.95842	0.5
148.37729	0.7
158.18294	0.6
161.04471	0.9
163.11302	1.1
165.09245	0.9
181.12323	10.7
183.10254	22.6
184.10657	1.0
187.09772	0.7
193.80226	0.6
199.13391	7.8
200.14056	0.6
207.10338	0.8
225.11349	9.4
225.13611	1.1
243.12355	100.0
244.12703	4.8
285.13428	14.7
315.14429	2.7
329.11511	1.0
345.15475	18.3
346.15833	0.9
405.17514	11.7
405.21082	1.3
405.25430	0.8
406.18158	0.9
409.09995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03428	0.8
58.19080	0.6
59.01379	52.8
60.01716	0.6
61.98819	2.1
69.21547	3.0
71.01379	22.5
72.99290	0.6
73.02937	2.4
73.60664	0.8
83.01392	1.2
83.05010	1.2
85.02937	6.0
89.02439	16.6
95.01382	1.8
96.96013	1.4
101.02431	12.1
103.38734	0.7
109.06598	1.1
113.02457	8.1
119.03493	6.6
119.17149	0.6
121.02953	1.0
124.01684	1.3
125.02428	2.3
139.00377	0.7
139.04047	0.7
142.50458	0.6
143.03537	0.7
145.10272	1.3
149.02380	0.8
150.03186	2.2
151.00302	1.3
152.01175	1.4
161.04581	3.1
163.11284	6.8
165.01811	0.7
165.05524	2.8
166.02675	1.9
179.05600	0.9
181.05060	2.0
181.12341	69.5
182.12648	2.0
183.10275	2.3
186.08368	0.6
189.09195	1.4
195.06653	1.4
207.10175	1.7
210.08150	0.7
225.11308	67.3
226.11684	3.7
243.12354	3.3
269.04532	1.6
289.14462	1.0
294.00644	0.6
305.06595	1.1
307.15515	9.1
312.06552	0.7
323.15082	1.1
327.08673	1.6
327.12216	0.9
341.17029	0.7
342.10806	1.4
345.15332	0.8
357.13461	4.0
387.16614	0.8
405.17612	100.0
406.17889	9.0
425.55151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03451	2.1
58.00614	0.8
59.01380	100.0
61.98827	2.7
69.03457	2.9
69.75514	2.6
71.01379	11.4
71.13005	0.6
72.99335	1.0
73.02940	4.0
74.39490	0.6
75.68917	0.8
79.95750	2.6
83.01394	2.2
85.02953	7.4
87.00914	0.9
89.02445	3.6
95.01397	1.3
98.22641	1.4
99.00888	0.9
100.00401	1.6
101.02433	10.1
108.02184	1.0
113.02462	5.4
119.03511	0.8
119.05027	9.8
125.02467	4.2
134.06171	0.7
137.02448	0.9
139.11285	2.4
145.02983	5.7
161.02449	1.9
161.04587	3.4
163.04028	2.3
171.15094	0.6
181.12357	2.8
183.10265	25.6
183.13995	0.8
184.10660	0.7
197.11882	0.6
199.13403	3.2
204.31439	0.7
206.04585	2.6
225.11337	2.4
243.03009	1.8
282.11240	2.1
322.64532	0.7
343.17545	7.0
345.15540	1.3
345.19269	3.1
361.18689	8.2
362.06949	1.1
387.16684	6.4
405.08710	1.3
405.17511	35.8
406.06094	11.7
406.18042	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03444	1.2
59.01379	31.9
61.98824	5.7
67.37176	0.6
70.14523	1.4
71.01382	27.0
71.01782	1.3
72.99305	2.5
73.02950	4.1
78.91896	0.7
83.01409	2.9
85.02946	6.7
86.00140	0.8
87.00874	1.0
89.02441	13.5
95.01424	0.8
95.40611	0.6
96.34649	0.6
98.22601	0.6
99.00877	0.9
101.02441	15.3
106.01675	0.7
109.02940	0.5
109.42268	0.7
110.61082	0.6
113.02448	7.0
119.03516	5.8
121.02927	0.7
124.01651	1.5
139.99416	2.0
140.24417	0.6
143.03500	0.7
143.10786	1.3
153.09171	1.1
155.01738	2.8
161.04556	1.9
167.10716	0.7
171.10309	0.8
179.05658	0.9
179.10716	1.5
183.06691	1.7
189.09233	1.0
207.10274	1.7
225.07639	0.7
225.11333	2.7
243.12392	0.7
333.15555	6.8
345.11856	11.0
359.17148	2.5
369.15387	1.6
387.16537	3.2
393.74286	0.6
405.17648	100.0
406.17999	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
59.01379	100.0
60.01716	1.2
61.98826	1.0
71.01376	5.3
71.44700	0.4
73.02952	1.8
79.95066	0.3
79.95757	0.6
83.01435	0.5
85.02948	2.3
89.02465	1.9
95.01406	0.5
96.96060	0.5
100.00417	0.5
101.02436	4.3
113.02465	2.5
119.03506	0.5
119.05017	2.3
145.02980	1.0
151.00473	0.8
152.01215	1.2
161.04547	3.8
163.03983	0.5
175.03946	0.4
178.99893	1.1
179.05597	0.5
181.12389	1.5
183.10274	2.6
183.13911	1.0
199.03972	0.5
206.04547	0.6
225.11415	1.3
231.01346	0.6
243.03046	0.5
269.04608	2.0
283.02573	1.1
284.74701	0.5
285.04196	1.3
317.01389	1.6
345.15494	0.4
345.19205	7.8
346.19452	0.6
357.13492	0.5
361.18890	0.6
404.97092	0.6
405.03079	0.6
405.16943	3.8
405.21655	1.4
406.05902	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
59.01379	100.0
60.01716	1.2
61.98826	1.0
71.01376	5.3
71.44700	0.4
73.02952	1.8
79.95066	0.3
79.95757	0.6
83.01435	0.5
85.02948	2.3
89.02465	1.9
95.01406	0.5
96.96060	0.5
100.00417	0.5
101.02436	4.3
113.02465	2.5
119.03506	0.5
119.05017	2.3
145.02980	1.0
151.00473	0.8
152.01215	1.2
161.04547	3.8
163.03983	0.5
175.03946	0.4
178.99893	1.1
179.05597	0.5
181.12389	1.5
183.10274	2.6
183.13911	1.0
199.03972	0.5
206.04547	0.6
225.11415	1.3
231.01346	0.6
243.03046	0.5
269.04608	2.0
283.02573	1.1
284.74701	0.5
285.04196	1.3
317.01389	1.6
345.15494	0.4
345.19205	7.8
346.19452	0.6
357.13492	0.5
361.18890	0.6
404.97092	0.6
405.03079	0.6
405.16943	3.8
405.21655	1.4
406.05902	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	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03448	13.7
58.00602	1.7
59.01377	100.0
60.01705	1.2
61.98832	0.5
68.99802	0.2
69.03452	0.8
69.38120	1.1
71.01380	61.7
71.05026	0.2
72.01719	0.6
72.99309	3.8
73.02943	3.8
73.96327	0.2
75.00861	0.4
81.03453	0.5
83.01386	2.8
83.05034	1.7
84.02119	0.3
85.02949	13.6
86.64034	0.2
87.00874	4.5
87.04519	1.4
89.02443	66.6
90.02801	0.9
95.01389	4.0
95.05040	0.3
96.95997	0.4
97.02949	0.6
97.06574	0.5
99.00882	1.3
99.05648	0.3
101.02442	30.8
102.02789	0.5
109.06599	0.8
111.00882	0.2
112.05309	2.5
113.02448	24.2
113.06090	0.4
114.02753	0.4
119.03504	26.9
120.01237	0.9
120.03850	0.4
120.05810	1.1
123.08102	0.3
125.02467	0.8
125.06081	0.9
128.03526	0.5
131.03496	2.8
131.08646	0.3
134.07373	4.4
135.08173	4.4
137.06107	0.3
137.09726	2.9
139.07657	5.4
139.11276	0.5
143.03526	4.5
143.04617	0.7
147.08176	0.3
149.04584	2.2
149.09717	40.5
150.10051	1.8
152.08296	0.3
153.09210	25.2
154.09550	0.8
159.03029	0.8
161.04558	9.0
162.00316	0.3
167.10770	68.1
168.11098	3.6
171.10240	1.2
179.05608	10.5
180.05910	0.4
183.06465	0.4
183.07858	0.3
207.10217	0.5
207.13919	1.8
209.11806	3.1
221.10507	0.3
225.11415	1.9
225.14919	4.6
226.15311	0.5
233.10188	0.4
242.11613	1.2
243.02985	0.3
243.15979	13.9
244.16373	1.2
249.06268	0.3
272.08862	0.3
273.09396	0.4
306.07544	0.4
307.07816	0.7
387.16476	1.5
405.17511	13.9
405.21451	2.9
406.05850	0.4
406.17740	1.0
406.22287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
56.79542	0.6
59.01377	100.0
60.01701	1.1
61.98830	1.7
62.74701	0.5
71.01378	6.6
73.02940	3.1
73.19982	0.6
83.01404	0.7
84.37492	0.7
85.02938	2.8
89.02454	2.4
101.02447	5.2
113.02441	2.9
119.03512	1.1
132.84952	0.6
159.04504	0.9
161.03369	0.5
161.04475	3.0
183.13898	2.7
201.05600	1.1
243.06598	10.8
243.12381	1.1
243.16049	2.6
265.01654	0.6
307.15488	2.4
345.19144	10.1
405.16110	1.3
405.21201	22.9
406.21619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.47359	0.5
59.01377	100.0
60.01711	0.8
61.98830	1.9
68.60304	0.5
69.57083	1.7
71.01382	7.7
73.02940	0.6
79.65790	0.5
79.71259	0.5
83.01384	0.5
84.53960	0.5
85.02975	0.9
87.00865	0.8
89.02444	9.9
91.05915	0.4
96.58197	0.6
101.02450	3.7
113.02437	3.0
119.03489	4.6
123.04521	0.7
131.03534	0.8
137.02452	0.6
143.03490	1.2
149.02391	1.3
149.04596	0.7
150.03244	3.9
161.04570	2.4
165.05559	5.0
179.05629	7.5
195.06581	3.2
209.08235	1.0
281.06714	1.0
345.19098	2.3
357.13644	0.9
369.15106	0.7
400.43030	0.5
405.05905	0.6
405.12741	0.9
405.20871	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01885	1.4
57.03445	1.0
58.00583	1.1
59.01380	74.9
60.01715	0.6
70.00323	0.9
70.00690	0.8
71.01383	43.9
72.99314	1.2
73.02951	3.6
81.03448	0.5
83.01379	2.3
83.06935	0.4
85.02946	7.9
87.00874	1.6
89.02445	32.6
93.03430	0.4
95.01410	2.7
97.06582	0.4
98.22668	0.4
99.00871	0.7
101.02448	20.8
102.02728	0.5
106.62613	0.4
107.01398	0.5
108.02236	0.8
109.02960	4.5
109.06579	0.5
111.00850	0.6
113.02446	12.5
113.09776	0.4
119.03509	14.5
123.00924	0.7
125.02402	1.1
127.07633	0.4
127.11266	1.7
131.03481	1.3
135.00865	0.4
135.04514	0.8
139.11296	1.2
143.03490	1.7
149.04567	0.8
151.00305	0.5
152.01103	0.6
153.01944	7.2
153.05635	0.4
153.12862	7.6
161.04572	2.0
176.97411	0.4
179.05621	3.7
181.12331	1.0
181.16051	0.4
199.13393	4.8
200.13698	0.4
207.13789	0.4
225.14949	3.7
257.13739	0.5
309.24042	0.4
343.24667	0.9
345.15582	0.5
345.22861	2.6
387.20032	1.1
405.11804	14.4
405.21149	100.0
406.12292	1.2
406.21509	11.3
406.26553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01866	1.6
57.03449	0.9
59.01379	37.6
61.25747	0.4
61.98829	1.8
69.23811	2.2
71.01382	19.9
72.99309	0.8
73.02948	3.7
78.34686	0.4
82.01381	0.4
83.01402	2.5
85.02954	8.2
85.06583	2.6
87.00882	0.9
89.02446	12.2
93.03450	1.5
95.01380	1.8
96.96003	0.5
97.06570	0.5
98.22646	0.8
99.00885	4.0
101.02439	14.3
113.02450	7.6
119.03500	4.2
123.56395	0.4
125.02454	1.0
137.02428	3.0
143.03502	0.6
149.04578	0.5
155.14413	6.6
161.04567	1.5
169.01413	0.7
181.12350	0.9
181.15984	4.0
183.13879	0.6
199.13391	13.2
199.15256	0.7
200.13716	0.7
201.14978	1.9
225.14967	5.0
243.06572	0.9
244.66982	0.4
282.16946	0.5
307.07730	0.5
345.19247	2.2
363.20303	2.4
387.19839	0.5
405.21259	100.0
406.21613	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	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01884	0.9
57.03445	1.7
59.01378	85.9
60.01719	0.8
61.98848	0.5
66.00622	0.5
69.16818	1.6
69.17218	0.8
71.01378	13.9
73.02946	6.2
83.01390	1.7
84.02152	0.4
85.02956	7.8
86.00092	0.8
87.00873	0.4
89.02448	4.8
95.01377	1.2
97.02974	0.5
98.21867	0.8
99.00893	1.8
101.02443	12.1
113.02439	6.6
119.03511	2.2
125.02474	0.8
143.03561	0.6
149.04671	0.4
154.99017	0.4
155.10799	1.0
155.58163	0.4
156.11128	0.7
157.11256	0.4
158.06113	0.6
159.03004	0.7
161.04498	2.2
179.05449	0.5
183.13873	0.6
199.09657	0.7
200.10052	0.7
201.10304	0.5
212.99596	0.4
225.14897	0.4
283.11832	0.4
345.19119	2.7
345.22751	0.7
349.66257	0.5
364.07022	0.5
387.20087	4.7
405.21225	100.0
406.21570	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	405.228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38184	1.1
70.89896	0.2
73.12029	0.2
74.05878	0.2
97.84113	0.2
98.22678	0.2
110.03731	0.3
122.03735	0.3
137.02441	0.3
138.03232	0.9
139.04010	2.4
150.03204	0.3
151.04013	0.3
152.04657	0.3
153.01997	0.4
153.05565	0.3
165.01888	0.3
166.02696	1.4
167.03491	10.3
168.04237	0.8
179.03473	2.4
180.04216	0.6
181.05061	0.7
191.07222	0.4
193.04990	1.2
194.05756	0.3
198.01530	0.2
219.10260	1.3
222.08937	0.3
235.09726	0.5
236.10574	1.0
237.11288	0.8
263.16443	0.3
273.14935	0.5
287.16492	0.3
290.15250	0.8
291.16000	3.0
305.17499	0.6
319.19257	1.0
331.19089	0.3
345.20575	0.3
347.18616	15.2
348.19379	100.0
349.19772	9.7
390.20468	11.8
391.20712	1.5
405.22803	14.6
406.23108	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	405.2279
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
59.01355	0.7
61.98815	3.1
70.65616	1.6
73.92636	1.1
78.06359	0.9
94.01283	0.7
99.92542	1.0
116.92771	1.1
122.03745	0.8
123.00887	1.0
124.01627	1.6
125.02415	1.6
150.03210	1.8
151.00345	3.1
152.01112	2.4
153.01949	10.5
154.02567	1.0
165.01852	2.4
167.03471	1.0
205.08652	1.0
223.09755	1.4
265.14447	1.0
279.23285	0.9
293.17596	16.4
294.17914	1.4
303.19531	1.7
315.15723	13.1
316.16241	1.5
317.21109	2.4
319.19125	23.7
320.19879	100.0
321.20267	11.1
332.67923	0.8
334.65033	0.8
345.20630	3.4
362.06650	1.2
362.21268	1.3
385.67480	1.0
405.22736	76.3
406.23163	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	405.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33790	1.1
55.01849	1.7
58.03374	1.1
59.01355	1.2
61.98818	3.2
68.03461	1.3
69.03467	1.5
69.93142	2.6
78.01133	1.4
78.95914	1.8
95.01352	1.8
98.15446	1.2
107.04989	2.6
108.02212	2.0
111.00878	12.5
114.60773	1.3
117.03438	1.1
121.06597	1.9
122.03699	2.4
124.98769	1.6
125.27808	1.4
125.99596	6.1
136.01686	2.8
136.31731	1.3
137.06125	5.7
139.00371	73.2
140.00665	2.1
145.02963	2.2
151.04016	21.2
152.99609	3.0
153.05574	1.5
159.04512	3.0
160.05237	1.4
163.03986	5.2
165.05542	2.4
166.99789	9.4
173.02330	1.9
173.06114	1.6
174.06779	3.8
179.18018	3.0
181.01422	3.2
195.17493	3.5
197.19098	3.4
207.59476	1.3
219.17505	3.3
253.17987	2.9
258.19846	5.2
279.16000	3.7
280.16705	3.3
281.17560	100.0
282.17850	6.3
286.19278	3.6
287.23819	18.5
289.21756	2.3
295.15430	3.3
306.59201	1.3
307.22815	1.7
308.16290	44.8
309.16562	3.6
315.19534	1.8
315.23233	24.9
316.23538	4.0
317.21243	3.4
331.22684	5.5
333.20560	1.9
333.24292	6.0
343.22803	18.6
344.23254	1.4
347.18384	1.4
348.19299	11.6
349.19724	1.2
359.22275	56.6
360.22659	6.5
361.19931	3.4
361.23785	5.4
363.25433	3.1
370.92017	1.5
387.21741	29.7
388.21927	4.3
405.22665	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	405.228
Annotation	Afrogenin
Peak:m/z	Relative Intensity
52.44422	1.0
53.70760	1.1
55.94425	1.0
61.98815	1.1
69.31888	5.6
69.75291	1.2
78.01092	1.8
82.58337	1.1
95.92886	1.0
98.21925	1.8
107.05009	1.0
108.02181	3.4
109.06649	1.1
111.00853	2.6
119.05058	1.3
121.02969	2.0
121.06594	2.7
123.00900	2.2
125.99574	3.0
128.87819	3.0
135.04497	1.4
136.01642	2.0
136.05304	2.2
137.06078	6.0
139.00351	6.1
145.02956	4.2
147.08173	1.1
149.02399	2.0
150.03275	1.8
151.03917	2.4
153.05533	2.3
158.03792	1.3
159.04495	6.4
160.05276	3.3
163.04019	4.8
164.04805	5.7
165.05594	9.5
166.99797	1.0
173.02399	4.5
173.06068	4.5
174.06824	6.8
175.04033	1.1
177.01956	2.5
177.05568	1.2
179.18167	1.4
181.05064	5.2
187.04013	9.1
187.07622	1.8
188.04781	14.1
189.01898	5.3
189.05510	3.7
190.06335	1.2
191.03561	1.7
195.17554	3.7
201.05588	8.1
202.02538	1.3
202.06372	18.9
202.10010	2.4
203.03464	4.0
203.06998	2.1
204.04202	1.5
205.19617	1.1
209.04587	3.2
210.66560	1.0
213.94374	1.4
215.07173	2.8
216.07852	2.1
217.05081	5.2
218.05849	1.9
219.17555	3.1
229.08617	1.4
253.17992	2.3
258.19879	2.2
265.29745	1.2
271.24390	2.3
279.16043	3.5
281.17569	25.8
282.17896	1.8
286.19333	2.9
287.23792	8.2
293.17728	1.4
299.23657	2.1
308.16275	5.1
314.18643	1.9
315.23248	33.7
316.23657	3.4
317.21167	1.8
317.24777	3.2
331.22830	2.8
333.24454	6.5
343.22772	78.8
344.23090	6.3
358.17581	1.4
359.22238	38.9
360.22675	3.8
361.23816	17.4
377.23434	1.3
387.21774	100.0
388.22028	9.9
405.05136	2.8
405.22784	56.9
406.18359	1.4
406.22943	6.8
421.22083	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	405.228
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
80.17139	0.5
96.02168	0.7
99.04559	0.6
106.04240	0.8
108.02143	0.7
109.02913	1.0
119.04994	0.7
122.03701	0.8
123.00887	1.5
123.04527	2.2
124.01638	1.8
132.05858	0.8
136.01656	1.2
137.02426	1.7
137.06075	0.8
139.00430	0.9
144.50766	0.5
144.91389	0.6
147.04495	0.7
149.02441	1.3
150.03244	1.1
151.03926	1.0
152.01137	1.6
159.88481	0.6
163.04004	1.0
164.04787	0.9
165.05493	0.8
174.06927	0.6
175.03979	0.8
177.92545	0.6
189.01973	0.7
193.05092	1.2
193.77942	0.6
203.03484	3.5
207.06668	1.8
217.05038	0.6
219.17369	0.7
249.18556	2.4
257.92068	0.6
259.20627	3.7
261.22220	1.4
265.18011	4.5
275.20154	0.7
277.18097	6.4
278.18549	0.6
279.15680	0.6
281.17560	2.2
282.18332	0.6
289.21722	6.8
291.19669	0.7
293.17581	25.4
294.17944	1.7
305.17606	2.6
305.20981	0.6
315.19913	0.7
315.23346	2.1
317.21277	1.3
319.19098	8.5
320.19608	1.1
330.08109	0.6
331.19009	1.6
331.22687	1.2
333.20706	1.7
337.16138	0.7
343.19150	1.1
343.22787	3.9
344.19754	2.8
347.18515	1.2
348.19479	2.1
359.22293	3.3
361.20160	2.3
361.23993	0.9
362.20883	1.0
377.23322	1.2
387.21725	6.7
405.22784	100.0
406.23068	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	405.2391
Annotation	Cyrmenin A
Peak:m/z	Relative Intensity
59.01360	3.5
62.04240	1.3
63.48325	1.2
69.70029	1.5
69.70363	3.4
79.36766	1.2
98.22585	1.5
99.92592	16.8
100.92605	8.9
109.02891	1.6
111.04458	1.7
118.02973	1.5
123.00848	2.4
123.04456	5.1
124.01618	2.2
134.02403	1.3
135.04453	1.4
136.03954	1.5
137.02373	4.6
138.03159	4.5
146.02448	5.9
149.06094	1.4
151.00354	5.4
151.03928	4.4
152.04665	1.2
160.04004	1.6
163.03935	1.5
164.03473	1.4
165.01913	2.5
166.02606	1.2
178.04976	2.1
195.06387	1.5
195.72063	1.1
219.13750	1.3
232.13367	1.9
265.18192	1.8
293.17551	17.7
294.17715	1.5
302.21750	1.8
303.22992	1.4
315.15707	25.0
323.21960	1.5
328.22809	1.4
331.16409	1.7
332.22021	2.7
345.23993	1.9
359.23822	1.4
363.24313	3.4
371.23178	3.5
388.23428	2.0
405.23727	100.0
406.23889	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	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	44.0
59.58995	28.1
61.98820	75.8
69.54794	100.0
77.64279	28.0
81.47517	28.2
86.59795	28.3
126.33353	25.9
140.54106	30.7
224.70401	26.6
327.66669	29.4
361.23752	33.6
372.06564	35.0
405.27142	37.9
425.44107	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	405.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38400	2.6
53.09056	2.7
71.79665	2.7
91.00874	2.8
91.39845	3.0
93.00935	31.0
118.72829	2.9
120.71785	2.9
123.04513	7.1
124.04861	6.5
125.01644	2.9
125.02412	19.1
126.02746	13.6
127.02878	4.8
139.04010	7.7
141.01877	3.4
151.72542	3.2
157.57664	2.8
167.03456	16.5
179.98927	2.9
196.67967	3.2
210.02776	3.3
229.51056	3.0
248.65364	2.9
258.30066	3.1
333.20667	22.5
334.21463	100.0
335.21902	6.9
347.22266	19.7
348.23010	81.3
349.23288	8.1
361.23749	5.6
390.24014	19.2
405.25955	26.8
405.33917	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	405.2644
Annotation	VITETRIFOLIN D
Peak:m/z	Relative Intensity
55.01870	4.2
59.01375	78.8
61.98821	5.9
70.52061	1.5
71.44907	1.7
81.72102	1.7
95.05015	1.6
114.09189	1.6
131.61572	1.4
136.05307	3.0
137.06104	2.6
149.06076	2.0
152.99605	2.0
165.02026	1.7
215.54474	1.4
215.56589	1.5
293.17416	2.5
300.22726	1.5
303.23215	4.2
315.23242	9.4
317.24832	2.7
327.23218	26.5
328.23669	2.2
345.24329	100.0
346.24716	10.2
361.23761	1.9
363.25369	45.4
364.25763	5.7
369.20331	8.2
405.26517	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	405.2644
Annotation	Ardisianone
Peak:m/z	Relative Intensity
57.03442	4.8
58.02245	2.1
59.01379	71.6
60.14064	2.5
60.53368	2.4
61.98821	4.5
66.84221	2.4
71.45396	2.3
71.45795	2.5
93.03479	5.6
108.02175	7.6
109.02953	31.3
121.02959	32.7
123.00896	16.2
123.04537	8.8
135.04526	21.9
137.02449	90.0
137.03499	5.4
138.03242	49.7
152.04829	3.8
153.05576	19.4
163.04018	43.6
165.05492	5.9
180.04362	12.2
195.06622	68.8
196.51704	2.2
281.17474	3.4
293.17590	6.3
315.23260	3.3
320.20087	3.3
321.20721	2.8
347.22275	27.0
348.22638	3.6
362.24603	21.6
363.25232	13.0
405.26547	100.0
406.26901	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	405.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01701	0.7
64.39301	0.4
71.08429	0.7
72.11726	0.5
78.80251	0.5
80.74144	0.4
100.99944	0.5
143.54921	0.6
155.39772	0.5
279.23404	2.1
319.98184	0.6
405.16718	1.0
405.26947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.8
69.79854	0.9
69.80186	1.1
84.06588	0.5
108.05627	0.7
109.02945	0.6
110.07273	0.8
122.02479	1.9
123.03262	1.0
124.01666	2.3
136.04065	1.2
137.02440	2.6
138.03223	4.3
150.01971	1.4
151.02751	1.5
151.04033	2.2
152.03531	2.1
163.02785	1.5
164.03552	6.0
177.05629	0.7
178.05113	1.5
183.01730	0.6
192.48822	0.6
194.85883	0.6
249.18584	0.9
264.19589	0.7
275.65155	0.6
276.19669	1.0
277.18018	5.6
278.18851	19.2
279.19583	11.5
280.19873	0.8
290.17581	0.6
290.21408	0.5
291.19083	0.8
292.19171	15.3
293.19943	11.3
293.33844	0.6
294.20718	9.5
304.19159	37.1
305.19839	9.0
306.20663	2.6
316.23022	1.4
318.20969	0.9
319.21579	3.1
323.18628	1.8
328.22562	0.8
335.26718	0.8
345.25485	1.1
346.23734	3.4
357.26395	0.6
363.26505	51.2
364.26929	5.8
388.26056	5.5
405.28680	100.0
406.28998	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	405.3009
Annotation	Irisoquin
Peak:m/z	Relative Intensity
55.01875	1.7
70.93220	0.6
70.93564	0.6
71.13747	0.6
92.92840	0.8
126.25083	0.6
136.05295	6.6
149.06119	3.7
163.07684	1.2
177.09215	0.8
191.10722	1.1
275.20090	0.6
303.23315	2.1
317.24960	1.4
329.28528	12.3
330.28857	1.3
333.28030	0.7
355.26367	0.7
357.24176	0.8
361.27380	2.0
361.31180	2.0
373.27475	30.3
374.27856	3.7
387.29041	29.7
388.29379	3.4
405.30136	100.0
406.30438	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	406.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.1
69.56760	2.1
96.02162	2.3
98.66116	0.8
104.74274	0.7
123.00863	1.1
124.01676	6.1
152.01154	6.7
165.01991	0.9
166.02745	1.8
184.00186	0.9
253.41249	0.7
271.79483	0.8
273.03525	0.7
293.21252	3.5
321.20682	100.0
322.21030	8.2
406.13470	1.6
406.18423	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	406.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64919	1.8
59.01374	2.8
61.98832	100.0
72.64131	2.1
74.39598	1.8
86.39774	2.0
97.53243	2.3
141.12820	2.0
264.40842	2.2
271.99039	2.0
281.89407	2.2
364.46558	2.4
368.94751	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	406.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38208	2.6
61.98830	2.7
65.01439	12.9
69.39220	11.9
75.00867	26.6
81.03452	34.5
84.92711	2.6
85.38326	2.5
112.12057	2.3
117.81931	2.9
122.03732	3.9
123.04515	96.7
124.01669	2.9
124.04830	8.0
136.01663	7.2
150.03217	6.0
161.15039	2.5
165.01831	2.7
196.75258	2.3
203.17989	11.7
225.50496	2.8
231.17358	2.7
275.16470	14.7
277.18021	21.7
293.17444	11.2
294.17892	4.0
303.16092	3.9
305.17441	15.4
305.20508	3.1
319.19037	4.8
321.16992	6.3
321.20456	4.2
331.15128	4.1
333.17059	9.9
335.18631	6.6
359.25891	100.0
360.26373	23.7
379.20184	3.0
407.11737	4.1
407.17108	82.4
407.24548	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	406.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11419	6.4
51.92250	7.2
59.01361	6.5
61.98825	24.9
62.96637	6.1
64.96875	5.7
71.43118	5.7
74.15799	5.8
82.22443	5.7
105.13604	5.6
111.00953	6.6
122.03730	100.0
137.02386	8.8
137.06058	78.3
139.00381	28.8
140.00803	7.2
151.04001	11.8
154.02705	11.7
173.20981	5.7
223.46909	7.0
281.17508	14.8
282.17856	38.1
288.24277	9.1
308.16269	10.7
309.16721	20.6
316.23630	13.6
335.22131	6.3
344.23151	12.1
360.22711	34.7
363.25366	75.2
364.25720	14.6
365.26999	10.5
388.22067	19.4
406.22800	10.9
407.24463	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	406.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98855	3.8
67.54472	3.9
69.17207	23.2
76.17253	3.9
95.82637	4.2
96.02206	4.6
100.80821	4.6
124.01641	5.2
152.01167	8.1
277.21646	17.0
293.21454	4.5
305.21204	58.3
306.21634	8.4
320.23535	14.3
321.20688	100.0
322.21078	6.0
363.25314	63.2
364.25220	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	406.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99109	4.5
58.51218	4.9
61.98833	6.7
63.62613	5.0
64.88099	4.6
68.21505	4.8
71.44047	5.4
72.90481	4.7
74.29145	5.0
75.94157	5.1
81.03468	16.6
82.24149	5.4
99.92594	6.1
137.06076	100.0
173.19160	6.0
174.64688	5.7
363.25439	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98825	0.4
65.03954	0.4
69.03449	0.5
69.23621	0.7
69.93768	0.1
71.01387	0.3
73.02918	0.2
79.01879	0.1
80.25578	0.1
81.03455	0.2
83.01382	0.3
85.02941	0.3
85.45158	0.1
93.03455	47.4
94.03788	1.3
97.02928	0.3
107.01371	0.2
113.02451	0.2
119.25403	0.1
124.01653	0.4
125.02444	7.4
126.02788	0.2
137.02441	100.0
138.02776	3.5
161.02434	0.2
165.09299	0.1
209.08197	0.5
227.10762	0.2
245.11909	0.8
281.06625	0.6
287.07678	0.3
336.46213	0.2
407.17142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98990	1.1
52.06990	1.3
59.01378	60.9
61.98816	3.7
65.99866	1.2
69.10960	7.6
71.01370	16.1
72.99317	3.1
73.02939	5.5
74.99080	1.6
82.02985	10.0
83.01384	2.7
85.02945	5.5
87.00878	3.2
89.02448	7.2
95.01411	1.7
98.21857	2.9
101.02438	11.5
108.02164	7.0
109.02962	25.4
113.02437	5.5
119.03507	3.4
122.06126	1.9
123.04530	2.2
125.02505	2.8
126.02773	1.8
127.02875	1.5
134.03705	1.2
137.02431	3.1
146.03789	1.7
146.56017	1.2
148.01620	1.2
149.02393	1.4
150.03183	2.0
151.03999	2.5
152.01120	6.5
153.01944	25.4
160.07701	3.0
161.04559	4.9
164.03513	5.9
164.04756	2.4
165.05591	1.9
166.02715	3.1
167.03474	5.8
171.10289	8.9
172.07762	1.8
174.05649	2.2
179.03497	7.4
179.05644	1.5
181.05063	4.2
186.05496	1.5
188.07198	3.3
189.03012	2.4
191.04550	1.5
194.04593	1.4
196.06134	1.7
200.07176	1.9
202.08751	4.4
204.05409	2.0
215.04495	1.4
216.05217	4.8
216.06903	2.9
216.10023	1.7
217.02528	7.9
217.06113	7.5
218.06845	2.4
227.13011	1.9
228.06618	2.1
229.06102	9.9
230.03419	2.3
230.06963	4.4
231.07739	13.1
232.08446	3.5
241.06134	3.7
242.03275	2.2
243.04094	11.6
243.07764	3.5
244.04848	18.5
244.09875	11.9
245.09331	6.5
245.13954	2.4
248.09335	1.8
249.23164	1.5
254.07234	2.1
256.04907	5.4
257.05655	16.0
257.09497	1.4
258.06479	6.8
259.07220	42.2
259.10800	7.6
260.07278	1.8
269.09314	3.6
270.07312	1.5
271.07214	21.1
272.07700	2.5
285.05414	1.6
285.08737	5.1
287.10370	67.4
288.08820	5.5
291.09894	12.8
297.06073	6.8
298.06094	1.7
303.06342	1.8
303.09674	1.7
313.08292	100.0
314.08591	5.3
317.07922	2.2
319.13007	1.9
329.28656	1.4
331.09329	49.9
332.09634	3.6
335.08957	1.7
345.10858	7.6
347.17020	10.0
357.07025	1.9
359.11298	3.8
375.08328	22.4
376.08710	1.9
389.10019	3.5
407.10571	91.8
407.18680	15.5
408.10623	7.4
408.19308	1.8
431.27499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67244	1.5
57.03452	1.8
57.27613	1.3
57.37548	1.4
59.01379	51.0
61.98842	2.9
65.99858	1.6
68.82695	1.6
69.32653	6.2
71.01385	13.0
72.99309	1.6
73.02941	7.9
82.02985	9.1
84.76353	1.5
85.02956	5.4
87.00913	1.7
89.02425	8.0
92.74438	1.5
101.02425	8.8
101.04919	1.4
106.03062	1.8
108.02184	2.7
109.02949	22.5
113.02441	7.7
119.03503	2.3
120.99671	4.2
129.87895	1.3
136.04037	1.8
152.01158	2.5
152.02283	1.8
153.01932	23.0
160.07712	2.0
161.04581	7.9
164.03569	7.2
167.03502	2.4
171.10300	3.4
174.05611	2.0
179.03506	3.5
181.05061	2.0
188.07166	3.2
189.03055	1.9
191.04767	1.8
200.07083	1.5
202.08716	3.3
215.08127	1.7
216.05231	4.5
216.06746	5.4
216.10197	2.6
217.02592	6.6
217.06120	10.2
218.06752	1.9
226.04794	1.5
227.08202	1.5
228.06755	2.4
229.06036	9.8
230.03363	2.6
230.06927	4.3
231.07793	13.3
232.08334	3.4
241.06252	3.1
242.03171	3.3
243.04091	15.5
243.07790	3.8
244.04880	22.5
244.09821	15.1
245.09288	6.4
248.09126	2.4
249.16251	1.3
256.04950	5.9
257.05667	20.0
258.06424	10.0
259.07257	48.9
259.10806	8.2
260.07391	1.6
269.09341	2.7
270.07462	1.3
271.07227	25.4
272.07788	4.0
285.05606	2.0
285.08804	5.1
287.10376	73.4
288.08746	5.5
289.08850	1.5
291.09732	11.6
297.05991	5.9
298.06097	2.3
302.05676	1.6
312.04456	1.4
313.08298	100.0
314.08624	8.8
331.09338	58.6
332.09695	3.3
335.08920	2.4
345.10776	8.5
347.17001	9.7
357.07104	2.0
365.17938	3.2
375.08307	28.1
376.08804	3.3
389.09967	5.6
407.10706	92.6
407.18640	7.8
408.11124	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	407.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	57.5
66.46446	20.6
69.23454	100.0
69.69004	19.5
71.01383	42.1
77.23023	21.0
90.36437	19.6
95.79447	19.0
98.54180	19.1
105.10255	20.9
113.49662	20.0
115.77524	22.0
125.02453	62.0
128.47795	19.5
133.77519	19.3
135.50610	24.9
137.02454	59.4
141.86711	23.3
301.18234	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	407.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	57.5
66.46446	20.6
69.23454	100.0
69.69004	19.5
71.01383	42.1
77.23023	21.0
90.36437	19.6
95.79447	19.0
98.54180	19.1
105.10255	20.9
113.49662	20.0
115.77524	22.0
125.02453	62.0
128.47795	19.5
133.77519	19.3
135.50610	24.9
137.02454	59.4
141.86711	23.3
301.18234	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	407.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41879	100.0
69.42285	69.8
71.38710	31.8
75.29935	26.4
79.27715	35.2
81.78011	27.9
98.22600	61.5
119.42539	35.4
131.30585	33.0
131.31540	33.0
131.39973	30.1
134.15747	31.4
185.46167	32.0
216.52519	36.5
407.14560	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03957	2.9
57.03442	4.5
59.01375	26.1
61.98840	14.7
69.39499	14.9
71.01384	8.3
73.02959	2.8
75.00872	27.3
75.31767	3.0
83.01378	4.0
85.02971	6.0
87.13024	3.2
89.02440	3.8
93.03455	11.3
101.02457	6.5
110.57742	3.3
113.02512	5.8
125.02450	36.7
130.32935	2.8
133.97826	3.1
137.02455	30.3
149.02528	3.8
151.07426	4.2
161.04504	3.4
184.17979	3.0
188.64569	3.8
189.09253	3.3
190.18803	3.2
192.99619	10.5
207.10321	4.1
209.11848	24.0
251.09186	4.6
369.15421	3.6
371.12698	6.2
371.17114	100.0
372.17319	9.2
407.14444	18.0
408.15149	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	407.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41879	100.0
69.42285	69.8
71.38710	31.8
75.29935	26.4
79.27715	35.2
81.78011	27.9
98.22600	61.5
119.42539	35.4
131.30585	33.0
131.31540	33.0
131.39973	30.1
134.15747	31.4
185.46167	32.0
216.52519	36.5
407.14560	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06705	17.3
59.01383	53.6
67.89159	22.6
69.38747	100.0
84.00130	21.8
93.52457	19.3
101.02430	21.4
209.11728	41.3
371.17230	95.3
378.89282	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	407.1709
Annotation	Piptocarphin F
Peak:m/z	Relative Intensity
61.58148	0.9
61.98835	2.1
69.35177	4.5
75.00867	32.4
81.03455	1.4
93.03439	1.1
95.01392	1.1
106.04214	1.4
121.02958	1.9
122.03755	3.6
123.00883	1.9
123.04519	2.8
124.01694	1.4
136.01645	9.1
138.03204	4.8
150.03232	6.3
150.91377	1.1
152.01085	1.6
164.01157	1.6
166.02708	2.6
203.18034	15.3
204.18430	1.4
219.17589	2.9
229.19626	1.7
231.17532	2.0
233.19121	2.7
245.53287	1.0
261.18665	2.9
263.20239	1.6
265.18060	2.0
275.16513	12.8
276.16782	2.0
277.18048	25.5
278.18335	1.8
291.19296	2.1
293.17575	15.1
294.17957	1.8
297.84763	1.0
303.15982	4.6
305.17575	19.7
306.17749	1.3
307.19144	4.2
312.92267	1.2
319.19046	5.3
321.17166	5.2
323.22305	1.4
331.15530	5.0
333.17096	12.1
335.18622	6.1
349.16580	3.0
360.26248	2.2
363.18170	3.1
407.17078	100.0
407.28656	5.7
408.17380	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	407.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98828	8.6
71.01376	13.7
71.46060	3.8
71.46666	4.1
73.02952	5.6
73.10678	3.9
75.00848	5.0
77.00497	3.8
89.02441	4.1
99.95364	3.4
101.02431	10.2
113.02497	6.4
117.23765	3.5
119.71730	4.3
151.00377	8.3
151.03986	7.4
161.04565	4.5
167.01701	14.7
203.11777	6.1
225.11191	9.0
243.83113	3.9
319.02640	4.7
347.20865	18.2
351.05606	3.7
370.34747	4.1
371.17358	4.1
407.18011	13.4
411.30634	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	407.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98828	8.6
71.01376	13.7
71.46060	3.8
71.46666	4.1
73.02952	5.6
73.10678	3.9
75.00848	5.0
77.00497	3.8
89.02441	4.1
99.95364	3.4
101.02431	10.2
113.02497	6.4
117.23765	3.5
119.71730	4.3
151.00377	8.3
151.03986	7.4
161.04565	4.5
167.01701	14.7
203.11777	6.1
225.11191	9.0
243.83113	3.9
319.02640	4.7
347.20865	18.2
351.05606	3.7
370.34747	4.1
371.17358	4.1
407.18011	13.4
411.30634	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	407.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	43.7
61.98825	48.1
69.42191	11.4
74.95580	12.0
79.95732	12.4
81.66705	11.6
96.96008	25.9
105.07095	17.3
108.02170	44.0
121.06596	28.0
125.09711	100.0
133.06577	49.8
135.08154	12.3
149.06064	23.9
151.07631	17.0
171.10295	82.8
279.16003	14.7
285.14954	31.0
303.16058	64.0
311.43851	11.0
320.16211	25.1
407.17432	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	407.192
Annotation	Daumone 4
Peak:m/z	Relative Intensity
58.52523	0.9
59.01376	63.3
63.39148	1.0
69.16315	6.8
71.01382	26.4
71.01775	1.7
73.02937	3.2
83.01389	2.5
85.02946	4.8
87.00881	1.1
89.02447	21.6
95.01392	2.1
96.18951	0.9
101.02436	17.0
107.47035	0.9
109.02979	1.2
111.08120	2.1
113.02441	8.8
119.03492	7.1
120.70601	0.9
161.04562	2.3
165.12822	10.3
171.10280	11.7
179.05669	1.3
183.13866	13.4
185.11790	4.3
201.14853	1.2
209.11864	5.9
227.12881	35.7
228.13159	1.0
245.14026	4.7
268.96698	0.9
275.15027	1.6
280.21133	1.3
347.16891	1.3
363.20425	2.5
381.03491	1.1
407.19156	100.0
408.19394	6.8
429.19678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67939	1.0
55.01870	2.1
55.36744	1.1
57.03447	5.8
59.01379	100.0
61.98832	2.3
62.59320	1.0
65.55719	0.9
66.10872	0.9
70.79768	1.3
71.01382	47.7
71.05027	2.8
72.99306	1.3
73.02940	17.6
75.00866	1.1
83.01391	5.9
85.02948	20.2
87.00883	2.4
89.02442	6.0
95.01381	4.2
97.02939	1.6
99.00858	5.3
101.02443	32.3
105.02539	1.0
107.05064	1.6
109.06593	7.8
111.88577	1.0
113.02447	25.0
113.06073	1.5
115.07641	14.8
119.03512	2.4
119.98633	1.0
125.02422	2.4
134.03722	2.3
136.01675	3.6
143.03488	2.8
143.04585	1.2
143.38719	1.2
149.02441	2.2
149.06029	1.5
150.03195	4.3
151.04021	8.0
157.08682	1.2
159.03006	6.5
161.04553	34.1
165.05548	3.0
167.10777	23.6
168.11111	1.3
185.11806	4.1
195.06648	2.0
263.62778	1.1
272.84161	1.2
277.12939	3.7
299.09271	1.6
347.17075	8.9
407.13229	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03440	2.7
58.55894	1.3
59.01378	100.0
59.28600	1.4
69.10419	3.0
69.10819	7.3
71.01377	37.6
73.02956	10.2
77.44776	1.4
83.01390	4.7
84.41168	1.7
85.02947	14.8
89.02442	13.5
95.01379	4.0
97.06597	2.8
98.22577	4.2
99.00872	4.9
101.02448	25.7
109.02947	1.4
113.02446	16.7
116.29819	1.3
117.28946	1.6
119.03466	4.0
121.56788	1.6
129.03911	1.7
131.03525	1.5
143.04547	2.5
145.04990	2.0
145.17575	1.4
150.03183	2.4
153.01859	1.5
159.02986	5.4
161.04556	38.1
177.62843	1.5
179.05463	2.5
180.04858	1.4
196.64478	2.0
235.08139	7.4
259.11871	3.9
272.08862	1.5
277.12878	8.0
309.07440	2.9
347.17102	46.0
348.17233	4.0
407.10077	2.8
407.18469	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	407.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40474	3.4
59.01375	100.0
61.98805	5.9
69.72224	3.5
78.95925	3.8
97.57561	3.0
103.00356	7.6
103.01495	81.3
116.92802	3.9
147.06483	3.1
156.26651	3.3
213.01019	3.2
281.17532	10.8
350.20801	13.1
361.27463	5.1
363.25397	5.1
407.23883	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	407.2071
Annotation	Maoesin B, (rel)-
Peak:m/z	Relative Intensity
61.98816	2.7
68.99818	9.0
69.69181	1.3
70.64487	0.6
71.01375	1.2
76.69302	0.7
77.61501	0.7
98.21812	0.8
101.02418	6.1
126.58031	0.7
129.01939	7.3
158.93095	0.7
163.03987	2.1
165.05521	0.9
177.01877	1.7
177.05559	1.7
178.02609	0.9
178.06297	1.8
179.07121	1.5
180.07895	0.9
191.03491	11.8
192.04143	3.5
193.05089	1.0
205.01466	0.9
205.05029	13.1
205.08656	1.1
206.05826	35.0
207.06175	1.9
219.06493	1.1
220.03702	1.5
249.18584	3.3
263.20193	0.8
275.16562	2.4
275.19852	0.8
276.17102	0.7
277.18103	8.7
278.18344	0.9
290.15253	1.0
291.16422	0.6
291.19690	3.1
301.18100	1.5
302.15170	0.7
303.16019	1.8
303.19647	2.8
304.16803	19.5
305.17203	1.9
318.14835	1.2
318.18262	2.7
319.19110	19.8
320.19406	1.7
347.18607	11.2
379.21277	10.5
380.21176	1.6
407.20715	100.0
408.21069	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
66.34241	0.3
66.46648	0.3
67.73309	0.4
70.89877	0.6
74.24528	0.3
74.92036	0.3
78.95900	100.0
96.96960	8.9
112.01673	0.5
126.57481	0.3
150.97978	1.8
152.99582	90.0
153.99947	1.0
171.00636	69.9
172.01016	0.8
195.17453	0.8
209.71455	0.4
253.15762	0.5
253.18039	2.5
262.89587	0.4
281.17545	7.0
282.17966	0.5
407.04852	4.6
407.21652	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	407.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
59.01376	100.0
60.01714	0.5
61.98821	0.9
69.25465	1.8
71.01378	5.8
73.02946	2.2
73.89116	0.4
75.00883	0.9
83.01398	1.2
85.02952	3.0
87.00877	0.9
89.02448	1.7
89.59375	0.4
95.01438	0.6
99.00869	0.6
101.02441	5.7
113.02449	2.1
117.62874	0.3
119.03499	0.5
123.04568	0.4
161.04576	2.6
183.13992	0.4
194.05850	0.5
201.14946	7.6
202.15298	0.7
345.19321	0.8
347.16647	0.7
347.20712	9.8
348.21188	0.7
363.20197	28.4
364.20599	1.5
371.13574	0.8
377.76260	0.5
407.22580	4.3
407.26505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93578	0.3
59.01377	100.0
60.01712	1.0
69.56880	1.4
71.01375	3.1
73.02953	1.8
74.20307	0.3
75.00874	0.9
83.01378	0.7
85.02973	1.5
89.02438	1.2
95.01395	0.4
96.86037	0.3
101.02449	4.0
113.02489	2.0
119.03568	0.5
140.27463	0.3
143.03496	0.3
159.03067	0.5
161.04558	3.0
161.29800	0.4
209.08261	0.7
219.52168	0.4
227.12863	0.4
257.59436	0.4
259.55859	0.4
291.64856	0.4
347.20731	19.5
348.20972	1.7
371.13596	0.6
407.23148	1.9
433.15457	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	407.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03445	9.6
59.01378	20.0
61.98820	1.4
69.64532	0.6
71.01378	8.9
71.43968	0.6
72.99310	0.9
73.02953	4.1
78.95905	7.2
80.96507	0.8
83.01385	3.7
85.02946	5.8
86.00105	1.0
87.00862	0.6
89.02436	1.1
99.00869	1.4
99.04510	7.4
101.02435	13.7
113.02432	4.0
120.90038	0.5
125.02464	2.0
158.18472	0.5
161.04494	0.8
199.17043	2.7
214.89691	0.6
227.16496	0.6
245.17545	4.8
263.14969	1.7
265.07489	1.0
389.21545	1.1
407.22827	100.0
408.23206	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	407.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40745	0.4
55.01871	0.8
57.03453	0.7
57.64844	0.4
59.01378	100.0
60.01707	0.9
61.98833	1.2
65.04440	0.4
69.03444	0.5
69.25053	1.7
70.18089	0.4
71.01379	7.6
71.83144	0.4
73.02948	2.5
75.00883	1.3
78.91896	0.5
83.01363	0.8
85.02962	3.5
86.00153	0.5
87.00879	0.9
89.02471	1.4
92.81087	0.5
94.04655	0.4
95.01379	0.7
99.00871	0.8
101.02441	5.3
111.00869	0.6
113.02438	2.6
125.02440	0.8
159.02972	0.5
161.04599	1.8
201.14954	8.9
209.08284	0.6
263.12952	0.5
345.19150	1.0
347.20718	10.6
363.20242	31.5
364.20758	3.0
371.13556	1.0
385.57123	0.6
391.19879	0.8
407.22873	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	407.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	0.3
78.95902	8.8
96.96970	0.8
96.99282	0.3
111.00885	0.3
124.98795	2.3
125.87318	0.2
127.87006	0.5
136.01639	0.3
139.04010	3.4
147.05995	0.2
150.03247	0.6
151.04053	0.2
152.99582	13.9
153.02000	0.5
153.05566	0.3
157.86391	0.2
163.33234	0.2
166.02716	0.6
167.03491	11.3
167.99084	0.2
168.04134	0.9
171.00671	0.4
179.03481	0.8
180.04254	0.3
181.05063	1.0
199.68756	0.2
215.89194	0.4
236.20200	0.8
243.98550	0.2
249.14897	0.6
252.85617	0.4
281.17490	1.0
282.24759	0.2
293.14011	1.1
309.17029	0.3
320.22141	1.0
321.20743	1.3
335.18677	0.4
349.20184	19.1
350.20938	100.0
351.21274	8.7
371.07101	2.5
380.34674	0.3
392.22006	9.9
393.22473	1.1
407.04358	0.6
407.24524	13.0
408.03918	1.0
408.24725	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93247	0.5
72.03248	0.2
75.73430	0.2
75.79796	0.2
80.00005	0.2
84.89737	0.2
138.03246	0.2
139.03996	2.6
150.03207	0.3
153.01903	0.4
166.02695	0.9
167.03499	9.5
168.04187	0.9
170.89877	0.2
179.03523	0.4
180.04265	0.3
181.05034	0.8
205.08694	0.3
205.12262	0.2
213.28163	0.2
223.09775	0.3
233.11830	0.7
251.12915	0.5
269.94406	0.2
280.13116	0.3
303.16046	0.3
321.17273	0.4
321.20676	0.5
322.20660	0.2
332.20078	0.2
349.20172	14.2
350.20941	100.0
351.16885	0.3
351.21274	8.4
392.22012	12.3
393.22195	1.1
407.24359	21.8
408.24631	2.0
433.92889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2435
Annotation	Dimethamine
Peak:m/z	Relative Intensity
57.68650	0.5
59.01373	2.6
62.40773	0.6
68.45743	0.6
68.99820	1.2
73.39697	0.7
83.01382	0.6
87.00873	0.6
98.77496	0.6
124.01660	2.4
125.02486	1.6
137.02419	1.0
138.03242	0.9
138.19356	0.6
150.03217	1.5
152.01146	1.8
153.01918	7.5
154.02621	1.0
155.29277	0.6
155.30544	0.6
166.02736	1.0
167.03510	0.7
179.03624	0.9
211.55853	0.6
253.25311	1.4
259.24399	0.7
263.23642	1.3
275.23828	1.1
279.23325	2.1
293.24957	1.2
303.23395	3.5
305.21222	1.9
319.22809	8.3
320.23004	0.8
321.20691	17.6
322.21466	100.0
323.21851	9.2
331.22556	0.9
332.23535	5.7
333.20706	14.1
333.24347	2.0
347.18307	1.1
347.22238	12.0
348.22531	1.4
364.22403	1.6
371.27960	1.5
374.24692	2.1
407.24359	76.9
408.24692	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	407.2436
Annotation	Dimethamine
Peak:m/z	Relative Intensity
63.77461	0.6
69.94383	1.6
78.95924	1.1
108.02203	0.7
119.05050	2.1
121.02981	0.6
122.03800	1.0
123.00851	1.2
124.01674	3.7
125.52488	0.7
136.01659	1.3
136.05302	1.5
137.02403	0.8
138.03264	0.8
149.02492	2.4
150.03215	2.1
152.01166	2.0
161.02443	0.7
163.04045	1.8
164.04794	2.6
166.02655	0.9
171.00742	0.8
176.01151	14.2
177.01912	4.0
178.02802	1.3
180.00793	0.7
190.02721	5.5
190.06375	1.1
191.03517	1.7
192.04222	1.0
194.01996	0.7
206.02303	1.0
206.05783	0.9
219.17490	7.1
245.19089	1.0
265.18027	1.0
277.18112	3.2
279.19547	1.0
281.17596	1.3
289.18091	0.8
291.16058	4.0
293.17651	4.8
295.09796	2.3
305.17554	20.2
306.18292	1.1
307.19217	1.3
317.17538	47.4
317.25034	2.0
318.18030	5.8
321.17053	31.0
322.17529	1.8
335.18597	3.8
345.24249	5.2
346.17798	8.1
347.18115	1.2
347.22293	2.1
353.09784	0.6
361.23843	3.3
363.22052	0.8
371.22314	1.6
389.23322	14.0
390.23660	1.7
407.24402	100.0
408.24637	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
61.98839	1.8
69.88280	3.9
79.53648	1.3
90.51215	1.5
90.67599	1.4
107.97716	1.4
108.02172	1.5
109.02885	1.5
124.01653	2.7
125.02502	1.6
136.01564	1.2
137.02364	2.2
138.03183	2.7
139.36955	1.6
152.01187	3.2
153.01924	13.3
154.02582	2.5
164.76614	1.5
167.03485	2.2
175.88121	1.3
179.03496	2.1
199.67140	1.2
246.65981	1.3
253.25388	6.7
279.23300	13.4
303.23257	5.2
305.21341	2.3
319.22665	7.0
321.16971	1.9
321.20685	27.1
322.21469	100.0
323.21841	9.1
332.23419	6.8
333.20676	22.6
333.24252	4.9
334.21103	2.6
347.22305	13.7
348.22034	1.6
365.23599	1.6
371.28003	4.6
374.24603	2.3
407.24338	71.3
408.24725	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	407.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85639	2.4
59.01384	3.3
64.23365	2.1
71.45250	2.8
75.00851	3.0
99.92588	11.4
100.92626	5.1
103.21803	2.4
250.37544	2.1
253.25362	25.2
254.25558	3.5
279.23285	100.0
280.23666	7.3
303.23267	3.3
304.80789	2.3
305.23959	3.0
331.15558	3.3
333.20859	2.5
349.20883	2.6
371.28055	25.8
389.17068	4.6
407.17441	15.0
407.27225	7.0
421.15765	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11308	2.5
61.98832	2.9
69.27016	7.1
69.27421	5.7
71.53589	2.6
76.27197	2.4
78.02816	2.4
83.24110	2.2
87.57095	2.3
97.93421	2.7
98.22609	6.0
108.02183	5.4
123.00858	2.3
138.03189	3.8
143.76271	2.2
146.96541	2.8
163.11296	21.9
182.43492	2.6
195.14891	3.0
275.20218	3.1
301.21646	10.2
303.19528	7.7
317.21146	6.4
331.22711	9.2
339.23282	15.8
345.20618	4.1
349.23840	5.8
360.23050	3.6
361.23752	9.9
362.20853	3.7
375.25345	39.3
376.25739	4.4
377.23291	100.0
378.23740	12.0
392.20715	2.4
392.25577	46.0
393.25970	5.1
407.22653	5.7
407.27975	78.1
408.28351	12.2
420.25089	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	407.28
Annotation	Anisodorin 5
Peak:m/z	Relative Intensity
55.01868	1.7
56.57687	0.5
59.01376	1.1
61.98823	0.9
64.13319	0.4
67.16462	0.4
68.67903	0.5
69.72935	1.0
69.73325	0.9
75.00857	0.6
78.83337	0.5
78.95906	4.4
85.06585	3.2
85.70488	0.4
90.28295	0.4
95.05029	0.8
96.96996	0.5
98.22583	0.7
113.06087	0.6
115.07673	2.8
123.04449	0.6
136.05298	0.7
138.03239	0.5
141.01945	1.1
151.03998	0.7
152.99582	8.4
167.03487	1.3
171.00642	0.5
224.31172	0.5
249.18602	1.7
251.74745	0.5
254.59146	0.5
261.18698	0.5
275.16592	0.5
277.18137	7.0
278.18469	0.7
305.17566	0.8
307.19174	1.4
329.24796	1.5
347.18549	1.1
347.25967	3.2
349.20197	3.7
350.20926	11.0
351.21265	0.7
361.23892	1.4
362.24606	1.6
363.25430	7.9
364.25732	0.8
365.26938	100.0
366.27283	10.0
392.21881	1.3
407.16928	1.5
407.23627	1.1
407.28223	10.5
408.28241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2802
Annotation	omega-Muricholate
Peak:m/z	Relative Intensity
71.21333	1.5
75.00903	1.2
78.01107	8.0
78.95915	2.5
101.02481	1.3
102.40676	1.0
111.00874	9.2
123.00873	0.9
124.60862	0.8
134.25076	0.8
137.02480	0.9
139.00372	45.8
140.01064	0.9
151.77074	1.0
152.99603	1.5
153.05569	1.2
164.04813	0.9
181.05165	2.5
183.15419	0.9
223.20692	2.0
225.22244	2.0
237.22348	1.2
247.20651	23.5
248.21080	1.4
265.21918	1.8
277.21951	3.2
279.19968	1.2
293.21353	2.7
305.21207	9.7
305.24039	0.8
306.21445	1.0
307.19080	1.7
308.19989	2.3
309.20715	100.0
310.21024	8.3
317.17755	1.0
323.18756	1.9
325.18741	1.1
335.18497	4.6
347.22339	1.9
363.21649	1.3
363.25629	1.4
389.23666	3.3
407.28311	71.3
408.28629	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	408.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
60.01705	0.6
61.98830	100.0
64.85874	0.5
69.22295	1.1
69.22681	1.0
69.23885	0.4
71.01396	1.0
83.50746	0.4
85.02969	0.4
89.02469	0.9
101.02436	0.8
104.50406	0.4
118.11407	0.4
136.45909	0.4
166.46251	0.5
345.15558	1.4
348.21710	0.5
429.97925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.28303	1.3
69.39844	3.0
69.40215	5.9
78.48965	1.3
94.57047	1.3
152.99503	1.6
179.57042	1.4
322.24582	1.4
408.28427	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	409.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
61.98824	0.6
69.50550	1.8
71.01398	1.9
75.00847	0.7
79.95731	3.1
80.91678	1.1
80.96511	3.6
87.00861	0.7
91.44018	0.4
96.96011	100.0
101.02454	1.0
103.00378	1.5
108.02189	0.6
113.02444	0.6
122.97570	0.6
125.02428	1.0
138.97089	9.3
143.03545	0.6
150.97081	1.1
152.01154	2.2
155.33493	0.5
164.98656	0.9
167.03510	4.4
180.98126	0.9
192.00664	3.0
193.01424	1.3
194.02193	1.7
207.02980	1.3
209.04562	0.7
222.99268	1.7
234.01723	1.9
241.00240	47.9
242.00517	1.8
249.04041	0.7
264.06970	0.5
312.04758	1.1
326.94379	0.6
327.07220	4.3
359.13818	0.4
365.18790	0.6
409.04440	37.7
410.04715	2.5
418.50479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98506	0.5
59.01384	3.4
61.98830	3.3
63.09445	0.4
69.10947	2.1
69.11366	1.3
71.01382	1.4
73.02967	0.8
79.95715	3.0
80.91681	2.5
80.96499	1.3
83.45183	0.5
84.10619	0.5
94.98077	0.5
96.02073	0.4
96.96008	100.0
98.21789	0.9
101.02441	1.5
103.00351	2.8
103.01474	0.6
108.02183	3.0
113.02453	0.6
116.34833	0.5
116.48546	0.4
122.97571	0.9
123.04512	1.6
125.02431	1.5
131.65991	0.5
136.34526	0.5
137.02480	0.7
138.97069	1.3
152.01166	7.8
152.02357	0.9
152.98616	5.8
161.02443	0.8
162.03255	0.5
165.05577	0.8
166.02699	0.8
167.03485	12.4
168.03767	0.6
178.02699	0.5
180.98100	2.1
189.01950	0.5
190.02673	1.4
192.00644	11.3
193.01379	4.6
194.02194	3.8
205.01329	0.7
206.02225	1.2
207.02982	4.2
210.99266	0.6
222.01640	1.5
234.01704	3.8
237.04109	1.2
241.00224	67.8
242.00552	1.7
249.03960	2.5
273.99606	1.1
305.06686	0.6
312.04831	4.4
327.07220	18.1
328.07587	1.4
349.05536	2.4
409.04401	34.7
410.04883	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	409.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75422	0.9
59.01377	13.4
61.98819	1.2
69.90314	2.2
69.90657	2.0
71.01377	3.7
72.49131	1.1
76.37714	0.9
78.91853	1.5
80.91191	1.1
80.91678	20.0
81.06569	0.9
81.07137	0.9
85.02922	1.2
89.02425	2.4
93.03437	1.1
97.06574	2.4
99.92530	0.9
101.02415	1.0
113.02460	2.4
124.01648	1.4
125.02441	3.0
135.21207	1.1
149.02467	1.4
150.03253	5.4
151.00397	1.2
161.02443	2.7
162.03169	4.6
164.01157	3.9
165.05544	5.5
166.02725	7.1
167.03526	1.2
168.00615	1.5
177.01901	2.0
178.02678	3.5
178.99960	1.1
179.05608	1.1
189.01915	1.8
190.02699	8.3
190.99922	2.2
192.00635	58.5
193.01407	25.8
193.04955	1.1
194.02199	22.2
194.99246	0.9
195.06503	1.8
195.60811	1.0
203.03369	1.2
205.01443	6.9
206.02188	5.2
207.01170	1.8
207.02968	22.8
210.01578	1.3
221.00893	3.3
222.01642	6.0
230.00635	1.3
231.98528	2.6
233.00868	2.1
234.01700	29.6
235.02026	1.2
237.04025	6.0
245.97876	1.4
249.03970	14.5
273.99673	8.5
274.99924	1.6
289.99203	1.9
312.04868	21.4
313.05215	1.4
327.07202	100.0
328.07541	7.1
346.31708	1.3
349.05347	14.8
349.18661	3.7
373.11438	2.2
394.03885	2.2
409.06281	21.6
409.13281	4.2
410.06488	3.0
410.14243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30669	1.7
52.72335	1.3
53.63233	1.5
59.01377	50.0
61.26048	1.3
61.98829	2.0
65.30856	1.7
67.13527	1.4
71.01380	2.7
71.44835	1.5
79.95738	1.6
80.96494	1.5
85.02948	1.7
87.00877	5.8
96.96007	93.5
96.96989	4.4
101.02422	1.6
103.00372	100.0
138.97084	6.6
152.01109	2.7
167.03490	4.4
195.58830	1.6
197.04518	1.6
204.35620	1.4
210.99176	3.7
228.97557	2.6
241.00229	52.9
241.02699	3.0
263.07565	1.6
373.11163	1.4
409.04413	38.2
409.12418	1.8
410.04913	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58553	0.5
57.03446	13.8
59.01376	21.8
61.98827	3.6
69.53049	2.3
71.01379	2.2
72.99313	0.7
73.02960	1.2
73.32168	0.5
78.95899	1.1
81.03455	2.1
83.01390	4.6
85.02958	0.6
87.00891	0.7
95.05039	1.7
96.36796	0.6
101.02441	1.3
105.03445	4.5
109.02985	0.7
113.02467	0.7
121.02967	2.9
125.02444	100.0
126.02793	2.5
133.02946	1.2
137.02434	6.6
149.02434	0.7
152.99571	0.9
155.05028	0.7
161.02441	42.7
162.02930	2.1
165.01921	0.8
166.02698	1.7
175.04016	1.3
177.05536	2.7
201.05566	2.1
205.12389	1.5
219.06625	0.6
225.05609	1.4
225.07674	2.0
227.03561	0.9
229.01424	1.1
229.05119	0.8
243.06604	1.7
244.07047	0.7
269.04553	3.8
271.06091	1.7
287.05563	5.0
288.05856	0.7
307.17722	1.2
362.61481	0.7
385.06546	0.6
391.08636	1.1
409.18729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0927
Annotation	Epicatechin 3-O-p-hydroxybenzoate
Peak:m/z	Relative Intensity
51.62178	0.6
57.03444	5.0
58.94310	0.7
59.01381	9.1
61.98824	4.2
67.77121	0.7
69.03432	0.7
69.29909	3.5
71.01375	2.5
72.99320	1.0
73.02969	0.8
78.19360	0.7
78.95907	3.1
81.03457	2.6
82.65072	0.7
83.01376	3.7
85.02937	1.4
89.02431	2.2
90.98479	0.6
93.03455	13.0
95.01410	1.1
95.05029	2.6
96.96029	0.8
97.02927	5.3
98.22672	0.7
99.04483	0.8
101.02447	2.3
108.02163	1.3
109.02953	20.6
113.02422	1.8
117.03463	0.7
119.03510	0.9
119.32825	0.6
121.02971	4.3
123.04524	13.3
125.02442	31.0
127.46516	0.7
133.02942	0.9
135.04449	1.8
137.02443	26.3
138.03128	0.7
139.04013	2.5
145.02957	5.1
147.04515	0.8
149.02429	6.1
151.04013	8.1
152.99567	3.0
159.04544	3.5
160.05194	0.8
161.02428	0.8
161.06091	5.0
162.03169	1.8
163.03992	1.5
164.01143	3.4
165.01924	14.5
167.03453	2.0
170.46909	0.7
175.04013	1.8
175.07674	1.7
176.04750	1.0
177.05568	0.8
179.03488	4.6
185.06052	1.8
187.04019	5.1
188.04736	4.0
202.06314	1.2
203.07133	11.4
204.07480	1.1
205.05020	7.4
212.04767	0.8
221.08176	3.0
227.07173	2.2
229.05063	1.0
229.12407	0.8
230.05836	0.9
241.05058	2.2
243.06575	2.8
245.08163	15.3
247.13239	1.0
253.05028	1.4
259.06140	3.0
271.06107	5.9
272.06369	0.8
289.07162	100.0
290.07562	6.3
301.97556	0.7
349.18747	1.1
373.18710	2.6
409.09521	3.2
409.18518	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	409.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03444	1.6
59.01378	74.7
60.01725	1.0
61.98824	4.5
68.99818	0.9
69.03433	1.5
69.49512	1.4
69.49897	1.6
71.01381	19.7
72.99310	3.8
73.02954	4.6
73.63515	0.6
75.00873	12.4
75.37727	0.7
80.91686	4.1
83.01385	1.6
84.95125	4.1
85.02949	17.1
87.00864	4.9
88.44701	0.7
89.02444	7.9
95.01380	3.5
95.05035	11.6
97.06592	61.9
98.06936	2.0
98.22669	0.8
99.00882	9.3
101.02445	8.7
103.00359	1.3
103.92039	0.8
111.00884	2.1
113.01689	1.1
113.02446	16.0
114.94868	1.8
115.00368	1.8
115.07648	14.9
117.01920	1.7
119.03478	2.6
125.02428	2.5
129.01945	1.4
135.04536	1.2
141.05576	2.4
143.03470	0.7
149.04526	0.8
157.01329	1.1
159.06631	45.8
160.06912	1.3
161.04526	5.2
164.01161	0.8
166.02789	0.7
175.02451	2.1
179.05571	1.6
182.55757	0.6
187.03795	1.3
190.02698	1.1
192.00670	7.1
193.01344	2.9
194.02209	2.3
206.02077	0.6
207.02971	2.7
211.05980	0.7
213.02217	1.4
222.01622	0.9
229.09778	1.5
231.05151	1.2
233.10310	6.6
234.01691	2.7
235.11850	2.2
247.05864	1.9
247.11891	1.1
249.03984	0.9
249.06161	10.5
250.06480	0.7
267.07108	3.4
273.99820	0.8
312.04797	2.4
316.00601	0.6
327.07211	11.3
347.13419	2.0
349.05341	2.5
349.14905	1.3
349.18665	10.7
350.18997	0.7
363.16605	2.6
367.16037	5.7
377.05338	2.1
391.12442	2.6
394.49258	0.8
409.13443	100.0
410.05380	0.9
410.13846	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	409.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	62.3
61.98830	53.1
69.36830	100.0
71.01369	34.1
85.02934	28.1
99.34299	22.2
101.02446	29.9
110.01975	22.6
125.02428	66.7
137.02493	62.8
142.15146	21.8
168.26750	22.9
204.12357	24.2
247.43352	22.2
298.90665	28.3
371.16614	35.5
387.57901	24.2
409.14368	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	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29452	1.3
51.77535	1.1
59.01360	3.3
60.87981	1.3
61.98845	5.9
66.37071	1.2
69.68335	3.1
71.75636	1.0
72.99294	2.7
75.00873	4.3
75.84888	1.0
76.27357	1.1
89.90190	1.1
95.01386	1.3
98.22672	1.1
102.06149	1.1
105.01933	47.6
106.04221	1.2
107.01402	1.2
108.02152	1.1
109.02907	1.6
121.02924	2.0
122.03720	1.9
123.00887	2.3
123.04482	1.2
124.01651	2.0
125.97958	1.1
136.01653	8.3
138.03212	1.9
150.03201	7.3
151.00397	3.1
151.34155	1.0
152.01186	3.0
154.55469	1.1
164.01160	2.3
164.04755	3.0
166.02768	2.1
168.05727	1.1
175.14900	5.6
191.14485	2.2
192.00580	1.4
192.04298	1.5
203.14374	6.1
205.15915	2.9
206.16475	1.5
219.17384	1.2
221.15492	3.6
233.15514	6.3
237.14973	2.6
244.75395	1.2
247.13324	2.9
249.14948	22.4
251.16519	2.4
263.16339	1.2
264.13690	1.5
265.14429	21.2
266.15039	1.4
275.12808	1.4
277.14468	34.1
277.17593	1.9
278.15005	1.2
279.16000	4.6
289.14508	1.6
291.16016	2.3
293.13947	14.6
293.90582	1.1
294.14273	1.5
303.12540	2.1
305.13901	20.7
306.14340	2.1
307.15448	4.6
319.15540	3.7
321.13406	15.7
321.17102	3.0
327.00952	1.2
335.15002	5.3
352.22672	3.5
365.16068	3.2
409.15024	100.0
409.26016	5.4
410.15228	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	409.1501
Annotation	Pasakbumin C
Peak:m/z	Relative Intensity
59.01382	4.5
60.34706	0.9
61.98817	2.7
69.32607	1.5
69.33005	2.9
72.99301	2.8
75.00875	5.6
89.02447	2.7
95.01399	1.1
98.21856	1.9
100.57431	0.9
105.01936	51.1
107.01327	0.9
108.02172	0.9
109.02979	1.3
121.02956	1.2
122.03752	3.8
123.00889	2.6
124.01659	3.6
134.03677	1.0
136.01657	9.9
137.02441	1.3
138.03180	1.2
146.07288	1.1
149.02435	1.8
150.03233	6.3
151.00368	2.8
151.46706	1.3
152.01134	3.8
164.01140	2.3
164.04744	2.8
165.01898	1.3
166.02682	1.8
167.14311	1.4
175.14908	5.6
191.14400	2.7
192.00610	1.4
193.15903	0.9
203.14426	6.6
205.15939	4.2
216.59067	1.0
221.15410	2.5
233.15494	5.3
237.14948	3.3
237.19237	1.1
247.13359	4.5
247.17038	1.6
249.14944	25.0
250.15176	1.3
251.16568	1.4
263.12750	1.6
263.16599	1.8
264.13544	1.4
265.14423	21.8
266.14581	1.0
275.12863	1.2
275.16504	1.2
277.14426	31.3
278.14886	1.9
279.15982	6.5
280.13101	1.6
289.14410	2.1
291.15988	3.4
293.13937	13.8
293.17191	1.7
303.12387	1.7
303.15903	1.1
305.13943	23.5
306.14313	1.1
307.15561	6.7
311.14920	1.1
317.13934	1.0
319.15555	3.6
321.13358	12.4
321.17175	3.0
323.14975	1.6
333.20425	1.2
335.14941	5.6
347.06528	1.0
349.20044	1.2
365.16162	4.2
379.13696	1.8
399.84683	1.0
409.14938	100.0
409.19208	6.0
410.15170	10.2
410.19241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22688	0.2
52.03644	0.2
59.01370	0.2
69.31682	0.8
77.03967	0.3
104.67463	0.2
121.02951	100.0
122.03276	2.7
122.39446	0.2
149.99057	0.2
207.27647	0.2
377.60397	0.3
419.13898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41480	7.7
59.01381	73.7
61.98834	63.5
69.03426	8.8
70.98381	10.3
71.01369	34.9
71.41524	7.1
73.02953	19.9
83.01384	15.3
85.02940	30.2
89.02442	14.8
93.03457	66.5
94.03796	14.8
101.02447	36.6
110.64420	8.5
111.00845	13.8
113.02427	23.0
125.02428	25.4
126.02923	11.0
137.02441	100.0
138.02802	53.2
139.02960	30.5
161.04504	13.1
174.55521	8.3
209.08154	30.5
247.09784	14.7
259.06229	14.4
271.06113	13.6
277.16473	52.4
279.67926	8.8
349.18546	8.5
409.11377	29.7
409.15891	14.5
409.20947	51.9
410.63052	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	409.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41480	7.7
59.01381	73.7
61.98834	63.5
69.03426	8.8
70.98381	10.3
71.01369	34.9
71.41524	7.1
73.02953	19.9
83.01384	15.3
85.02940	30.2
89.02442	14.8
93.03457	66.5
94.03796	14.8
101.02447	36.6
110.64420	8.5
111.00845	13.8
113.02427	23.0
125.02428	25.4
126.02923	11.0
137.02441	100.0
138.02802	53.2
139.02960	30.5
161.04504	13.1
174.55521	8.3
209.08154	30.5
247.09784	14.7
259.06229	14.4
271.06113	13.6
277.16473	52.4
279.67926	8.8
349.18546	8.5
409.11377	29.7
409.15891	14.5
409.20947	51.9
410.63052	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	409.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
57.03443	3.3
58.00593	2.0
59.01376	100.0
60.01713	1.1
61.98832	9.1
71.01379	89.9
71.28281	1.3
72.01692	1.1
72.99303	2.5
73.02943	22.6
75.00870	1.4
80.50056	1.0
80.91676	2.1
83.01392	10.4
85.02943	34.4
87.00863	6.6
89.02441	49.1
95.01389	6.1
96.96004	2.6
97.02967	3.1
97.15691	1.0
99.00879	7.6
101.02438	70.0
112.80634	1.0
113.02440	41.0
119.03500	21.7
125.02447	6.5
129.01993	1.9
130.42911	1.1
131.03503	10.2
143.03468	6.5
149.04498	2.5
159.03014	7.1
161.04546	38.7
167.03493	3.0
179.05602	38.2
179.06961	1.0
180.06000	1.6
180.07840	1.7
187.13420	1.2
192.00612	2.4
193.01277	1.3
221.06648	40.9
222.07031	1.7
235.70238	1.1
245.90385	1.1
247.05875	18.2
247.11723	6.8
263.07706	12.1
321.04367	2.4
327.07205	3.9
349.18622	14.6
409.05673	2.3
409.17163	52.9
410.17368	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	409.1869
Annotation	Pteroside D
Peak:m/z	Relative Intensity
55.01870	1.4
55.91134	0.9
57.03446	2.3
57.87984	0.9
59.01377	100.0
61.98819	3.1
71.01382	57.8
72.99322	1.4
73.02942	2.4
83.01392	4.0
85.02943	7.5
87.00884	2.1
88.08492	1.1
88.50580	1.1
89.02443	71.1
95.01380	4.1
101.02444	24.6
101.45795	0.9
103.83810	1.2
113.02453	21.2
119.03501	27.3
121.33471	0.9
125.02438	12.1
131.03487	4.3
137.02408	1.2
143.03491	6.1
148.74770	1.1
149.04561	2.7
161.02441	18.6
161.04472	5.8
176.04774	7.1
179.05589	16.8
185.13264	1.1
189.05632	1.4
190.06343	5.4
205.08711	23.5
206.09033	1.4
219.13821	2.2
229.12288	6.3
247.13397	6.5
249.14679	1.3
260.93033	1.0
269.48105	1.0
277.16470	2.5
283.54721	1.0
304.92914	0.9
400.04922	1.0
409.11255	3.1
409.18732	13.0
410.18597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	44.6
60.01706	0.6
61.98825	2.2
67.30255	0.3
69.60199	0.3
71.01377	8.3
71.03043	0.3
72.99306	1.0
73.02940	1.1
75.00864	1.2
78.54839	0.3
81.65038	0.3
85.02933	1.8
87.00881	0.6
89.02443	12.9
95.01361	0.5
97.02956	0.6
98.22704	0.9
101.02435	5.8
113.02431	3.6
119.03505	5.2
123.00908	0.7
123.19229	0.4
124.01638	0.9
125.02437	0.9
131.03535	0.7
135.08212	0.5
137.02441	0.7
141.09219	0.7
143.03464	1.4
149.02290	0.4
149.04596	0.5
150.02992	0.3
151.04018	2.4
151.07515	0.4
161.04541	1.6
161.05991	0.6
163.07610	1.2
178.06361	0.8
178.99698	0.4
179.05589	6.6
179.07137	2.7
180.07922	7.9
181.08414	0.5
185.11792	1.5
187.09805	2.9
191.01985	0.6
191.06828	0.5
201.05363	1.1
203.06914	0.9
205.01193	0.8
205.04965	0.4
206.05804	0.5
217.04767	1.3
219.06393	0.6
227.03300	0.5
229.04848	5.1
229.10675	0.7
230.05145	0.8
233.04184	0.4
235.05786	0.7
245.04286	2.3
246.05061	2.2
247.05864	100.0
248.06212	3.9
261.03946	0.4
265.05597	4.8
274.56940	0.4
336.73822	0.5
349.14871	1.0
349.18640	4.3
350.18793	0.4
409.10818	13.2
409.17072	8.6
410.10999	0.9
410.17166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
56.22538	0.4
56.58535	0.4
57.03460	0.6
59.01377	100.0
60.01705	0.7
61.98830	2.3
69.37237	0.9
69.37638	1.6
71.01376	7.8
73.02947	0.9
78.91893	2.3
83.01389	1.1
83.85210	0.4
85.02932	3.0
87.00873	0.5
87.04524	0.5
89.02444	6.7
95.01391	0.5
96.95998	0.4
99.00867	0.6
101.02439	5.8
102.48644	0.4
113.02440	4.4
116.63915	0.4
119.03492	3.8
143.03514	1.4
159.03143	0.7
161.04546	6.0
179.05673	1.8
187.13255	0.4
242.60719	0.4
250.40820	0.4
291.67249	0.4
349.18597	8.5
349.22601	0.5
350.19058	0.8
409.05527	0.7
409.11856	0.5
409.20898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
56.37165	0.6
57.03448	1.0
57.05896	0.6
59.01377	100.0
60.01732	1.1
61.98827	13.2
65.56281	0.7
66.21220	0.7
70.07138	0.8
70.90803	0.7
71.01378	24.3
73.02946	4.6
78.22729	0.5
83.01389	2.8
85.02949	8.0
87.00890	1.9
88.98825	0.7
89.02445	24.4
91.05554	1.8
95.01416	1.7
99.00882	1.9
101.02438	18.5
101.03092	1.1
101.06053	1.0
113.02451	10.5
119.03512	9.4
125.02367	0.6
131.03439	1.0
134.93025	0.7
143.02536	0.6
143.03534	2.9
149.04575	1.2
159.03026	1.0
161.04543	10.1
165.05612	1.0
170.41553	0.7
176.82742	0.6
179.05602	9.7
187.13440	2.6
209.08211	1.8
225.04152	0.8
277.13037	2.0
305.16058	10.8
306.16248	0.9
331.17661	1.4
349.18661	32.1
350.19070	2.5
365.14594	0.9
409.15958	0.7
409.20441	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03440	2.2
59.01378	100.0
61.81358	1.2
61.98827	2.4
69.79362	4.3
71.01377	47.1
72.99296	1.5
73.02937	10.0
73.80278	1.4
83.01376	4.6
85.02938	17.4
87.00890	1.7
89.02438	41.3
95.01392	3.5
96.95959	1.8
98.22540	1.8
99.00871	3.5
101.02443	40.3
113.02445	20.8
113.54358	1.4
119.03500	19.4
130.97374	1.4
132.04591	2.2
143.03477	4.4
152.90553	1.4
159.03004	3.4
161.04546	23.2
179.05545	8.9
187.13382	8.4
194.71863	1.4
205.12270	2.8
232.52029	1.6
251.16606	1.4
331.75452	1.4
349.18646	93.8
350.19131	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	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22901	1.4
57.03429	1.5
59.01377	100.0
61.98829	6.4
69.41409	4.3
69.41798	2.5
71.01379	41.5
73.02950	9.1
78.68183	1.4
79.45916	1.5
83.01389	3.2
85.02953	12.7
89.02445	38.4
95.01382	3.0
99.00859	2.8
100.00411	3.4
101.02440	31.0
101.13530	1.5
106.63602	1.4
113.02444	18.7
119.03493	16.8
143.03494	5.2
144.03027	1.8
149.04562	1.8
159.02921	1.9
161.04524	21.7
179.05588	15.3
187.13387	5.0
289.07275	2.5
323.45547	1.5
349.18649	53.5
409.07629	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81180	0.4
55.01876	5.9
57.03446	3.4
58.00597	0.8
59.01377	61.9
60.01703	0.7
61.98827	6.1
66.38119	0.4
69.03449	1.2
69.21143	0.8
69.21551	1.5
71.01380	48.0
72.01714	0.4
72.99306	1.3
73.02944	25.8
74.03302	0.4
75.00893	0.6
78.45936	0.4
80.57582	0.3
81.03487	0.6
83.01383	18.8
83.05074	0.4
85.02948	25.8
86.00110	1.5
87.00865	3.0
89.02443	10.3
95.01375	3.4
97.02939	2.2
98.21880	0.8
98.36666	0.4
99.00877	6.8
99.08170	0.7
101.02440	60.2
101.09727	0.7
102.02788	1.1
103.04040	2.5
111.00889	1.2
113.02448	21.0
114.02779	0.6
115.04025	0.7
119.03484	3.2
125.02425	2.3
129.01956	1.3
131.03513	0.6
143.03500	3.1
144.02974	0.6
145.05069	0.8
152.99577	0.4
159.02997	3.9
161.04549	19.6
162.04924	0.4
163.06163	1.3
179.05554	1.4
187.13371	1.1
203.10841	0.6
229.07159	0.4
247.07996	0.8
247.10237	0.5
263.14975	100.0
264.15338	5.4
315.39575	0.5
331.37866	0.5
349.18652	8.4
350.18817	0.5
368.80429	0.4
381.58737	0.4
409.20761	32.3
410.21219	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01377	100.0
60.01710	1.4
61.98834	10.8
71.01385	28.3
71.01781	1.4
73.02954	5.2
75.00875	0.8
78.95904	1.7
82.46307	0.6
83.01402	2.6
85.02959	6.4
87.00874	1.6
88.98848	1.0
89.02445	25.5
92.93422	0.7
95.01389	1.8
96.96007	13.9
96.96996	2.7
97.02974	0.7
99.00878	1.5
101.02438	18.3
109.02950	1.2
113.02443	14.4
119.03500	10.0
125.02475	1.0
134.03618	2.0
137.02496	0.7
143.03546	3.2
147.04474	1.4
149.04579	0.9
154.16978	0.8
159.03040	1.7
161.04565	12.4
162.23611	0.7
176.04736	1.3
177.02029	0.9
179.05595	8.1
183.02963	0.9
187.13449	3.2
191.03520	3.9
192.04173	0.9
231.61830	0.7
233.04564	1.1
265.66431	0.7
273.35001	0.7
277.13007	2.5
287.11133	0.9
289.11041	1.4
305.00085	1.3
305.12708	1.7
305.15991	12.8
311.07880	2.1
315.08923	2.1
331.17795	2.5
333.10040	1.3
349.12213	3.7
349.18634	31.5
350.19037	1.7
373.15262	1.1
409.04379	5.8
409.11588	3.6
409.20944	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	409.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87897	0.7
62.40261	0.5
63.77951	0.5
68.22628	0.6
68.99828	0.9
69.30001	1.5
69.30393	1.3
75.00856	0.7
77.75121	0.5
78.01101	3.5
78.95901	64.0
84.02188	1.0
95.05022	0.8
96.96947	5.2
97.06596	2.4
98.21865	1.2
108.02165	0.7
111.00874	1.7
121.02907	0.8
123.00897	1.5
124.01702	0.7
133.01387	0.5
136.05276	1.6
137.02438	4.0
137.06093	0.9
138.03217	2.0
139.00371	4.9
147.04485	1.1
149.02434	0.9
150.06964	0.7
150.98045	2.0
151.04024	1.7
151.14873	1.0
152.99585	100.0
153.99937	1.2
154.31238	0.6
165.05582	2.6
166.06389	1.0
167.14400	5.1
169.15979	3.0
171.00650	2.6
176.08493	1.1
191.14420	16.2
192.14745	0.8
197.15445	8.0
223.13422	2.9
223.16878	0.7
225.14740	1.1
235.13437	0.6
237.14946	1.3
237.22418	0.8
247.20578	1.2
249.14948	5.5
249.18582	17.5
249.21568	0.8
250.15756	6.9
250.18497	1.2
251.12837	1.0
251.16382	1.1
252.13803	1.3
253.14420	29.2
254.14774	1.7
255.23300	1.3
257.17599	1.3
265.14459	2.7
265.21667	4.2
267.15967	5.2
275.20044	3.4
277.21707	1.7
279.12381	1.2
287.20294	0.8
289.21725	1.9
291.19662	1.7
293.21216	92.9
294.21552	7.3
301.57797	0.7
305.21109	1.9
311.14990	12.5
312.15329	0.7
315.19656	2.8
331.18988	2.0
333.20636	4.2
349.20425	1.2
363.22049	0.6
377.19733	3.8
381.22754	0.7
409.23413	19.8
410.24084	1.1
428.36938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95396	2.7
61.81942	2.9
66.31425	3.3
70.47239	2.7
70.83289	3.7
78.95912	8.2
89.34396	3.0
96.08686	3.5
111.00884	12.7
116.92831	3.6
118.90054	2.6
123.00875	10.0
124.98772	4.1
125.99578	7.0
136.01675	3.3
137.02397	3.7
137.06079	6.6
137.99532	7.3
138.99300	4.4
139.00371	90.3
151.03978	18.5
152.99506	14.6
157.55461	2.7
159.04530	3.0
163.04033	3.9
163.71382	2.8
165.01901	3.4
166.99850	10.5
167.14415	19.3
169.15977	9.3
181.01483	2.9
181.05049	4.3
191.14473	6.9
197.15451	5.2
223.13408	9.0
225.14972	5.5
228.52678	3.1
251.12888	83.7
252.13461	13.3
253.14421	100.0
254.14690	4.5
258.16006	4.7
259.20657	12.5
267.12320	11.4
279.12311	13.3
280.10184	5.6
280.13156	72.1
281.13626	5.6
284.88397	3.1
287.20142	19.8
293.17563	4.8
293.21191	5.2
303.19531	4.7
305.17596	3.7
305.20993	4.5
315.16183	2.9
315.19641	12.4
320.18674	3.4
331.19189	35.8
332.19659	2.8
333.20660	7.0
349.20197	44.3
352.22452	5.7
359.18622	20.8
377.19760	17.9
409.22208	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
67.07440	0.2
69.32264	0.5
69.32669	0.9
78.95901	70.9
96.96961	5.6
98.21765	0.4
150.98039	1.8
152.99582	100.0
153.99948	1.1
171.00630	2.5
255.23285	2.5
357.04294	0.3
409.23563	18.6
410.23828	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
78.36905	0.3
78.95901	66.2
87.11317	0.3
91.57185	0.3
96.96964	4.8
118.95704	0.3
133.96301	0.3
145.32809	0.3
150.97983	1.7
152.99582	100.0
153.99927	0.7
171.00606	2.5
210.07448	0.4
255.23262	2.1
371.68738	0.3
390.96609	0.3
409.23590	17.4
410.23856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
59.32053	0.2
61.98819	0.7
67.07233	0.2
69.59865	0.7
69.60202	0.2
105.01922	1.3
138.03210	0.6
139.04012	2.2
150.03203	0.5
152.99638	0.2
160.91479	0.2
166.02690	0.5
167.03496	11.5
168.04150	0.9
175.06779	0.2
181.05037	0.8
249.14980	0.4
258.06302	0.2
265.14560	0.3
277.14499	0.6
293.14420	0.2
293.17599	0.8
305.14001	0.5
321.13330	0.3
323.22476	1.1
333.20569	0.3
334.21417	0.3
337.25812	0.2
351.21756	18.1
352.22519	100.0
353.22861	9.1
394.23569	11.2
395.23795	1.3
409.14539	1.4
409.25943	23.1
410.26221	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	409.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77824	12.5
61.98808	39.4
62.16455	10.1
70.97545	13.6
70.97890	11.7
78.95907	78.1
90.67267	11.2
91.99487	9.9
99.45040	10.0
116.92884	13.0
125.68343	11.3
152.99590	100.0
153.73009	9.8
201.49249	10.4
293.17697	26.9
325.18002	11.3
333.20615	23.4
409.23624	26.2
409.29346	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	409.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99274	41.4
69.21597	43.7
79.24879	43.9
85.01912	43.3
97.61755	46.0
98.22687	100.0
118.32519	48.0
132.74873	55.1
155.70473	46.9
188.17886	45.4
230.06145	43.2
234.09169	42.0
398.03156	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	14.3
57.03885	0.6
58.47878	0.6
59.01359	2.5
61.98832	4.9
66.28902	0.6
69.14978	0.6
71.01395	1.0
71.45440	0.8
75.06187	0.5
78.03476	1.2
81.03448	2.3
83.01381	3.8
95.05014	2.1
96.96009	0.9
101.47524	0.7
105.03452	4.1
122.02478	31.7
125.02439	100.0
126.02781	3.1
127.70163	0.7
133.02983	0.8
137.02452	3.6
149.02451	1.3
161.02434	38.2
162.02888	1.4
175.04001	1.4
177.05539	4.5
193.20926	0.8
197.06104	0.8
201.05493	1.8
204.11121	0.8
225.05548	1.1
227.03461	1.7
229.01405	0.8
230.04980	0.8
243.06520	1.4
244.06085	2.9
269.04541	5.0
287.05606	10.2
291.04935	1.0
306.07645	2.0
348.08917	1.2
373.42468	0.7
392.07901	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	410.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80010	0.5
53.71071	0.5
53.84623	0.5
61.98818	2.1
69.38706	0.5
70.53318	1.0
73.95265	0.5
76.57499	0.5
78.95908	0.6
94.92519	0.7
96.96012	6.8
96.96965	0.5
97.93159	0.6
99.92580	31.5
100.92606	2.0
100.93368	2.4
105.01942	0.6
115.92077	4.7
116.92863	4.0
118.89974	100.0
119.89976	3.7
119.90788	3.0
134.89476	3.2
135.90257	10.1
139.00366	0.6
141.93637	1.0
150.88966	1.1
152.99596	0.7
169.80281	0.6
170.24924	0.5
195.17535	1.0
226.03145	1.1
252.13251	0.6
253.14333	0.6
254.14717	0.8
267.15805	0.7
352.22293	0.5
356.10809	0.9
374.11984	4.8
375.11649	0.7
392.08322	1.4
393.08652	0.6
410.09595	24.9
410.15121	1.7
410.27155	0.6
411.09769	3.3
411.25522	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	410.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
57.03457	3.8
58.53801	0.5
59.01376	53.6
60.01713	3.9
61.98828	100.0
66.16990	0.6
69.03463	1.4
71.01379	35.2
72.01720	4.2
72.99306	0.8
73.02947	20.8
74.03288	2.3
75.00898	0.9
83.01388	13.0
84.01728	2.2
85.02948	20.5
85.03458	1.1
86.00110	1.3
86.03278	3.6
87.00887	1.2
87.04520	0.6
89.02443	7.5
90.02774	0.8
95.01382	2.1
97.02935	1.2
99.00875	4.8
100.01211	1.3
101.02441	43.6
102.02795	8.6
103.04024	1.2
111.00896	0.8
113.02445	13.4
114.02762	3.4
119.03503	2.5
124.75694	0.6
125.02484	2.0
129.01971	0.7
131.03497	0.6
143.03596	1.2
149.04564	1.5
159.02980	2.4
159.17371	0.6
160.03230	1.1
161.04556	15.7
162.04886	4.3
179.53934	0.7
193.01349	0.8
221.06897	0.7
221.14622	0.6
230.07466	0.6
263.14984	48.0
264.15317	41.6
265.15417	1.0
299.50790	0.6
313.05673	0.7
349.18668	1.8
350.19028	3.4
351.93570	0.6
409.20673	6.7
410.21127	20.9
411.21146	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	410.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.3
64.64913	0.5
69.24884	3.4
71.98448	0.6
72.79343	0.5
78.95911	0.7
85.56150	0.6
98.22697	1.0
99.92584	4.1
118.89973	100.0
119.89983	4.4
137.02470	2.9
150.88982	1.6
152.99576	0.9
234.41780	0.6
308.47223	0.7
325.18219	0.9
374.15466	6.5
406.14554	2.6
410.13171	44.9
411.13541	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	410.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.30434	30.2
69.30814	31.3
71.01376	24.4
91.57688	13.0
100.89087	12.8
121.02946	75.0
128.39705	12.9
192.47331	14.1
209.81650	14.4
348.75101	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	410.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71210	0.3
59.01379	2.6
61.01804	0.4
61.98827	100.0
69.34451	0.7
69.34853	1.0
71.01390	0.9
77.84821	0.3
85.02973	0.4
91.47170	0.3
101.02449	0.5
113.02438	0.4
134.55469	0.3
161.04549	0.3
165.90231	0.3
167.90254	0.3
209.08206	0.6
258.95663	0.3
350.19012	0.8
410.17120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55558	0.2
59.01380	3.6
61.98827	100.0
71.01385	1.2
73.02951	0.3
85.02953	0.4
89.02452	0.7
101.02425	0.5
110.06134	0.3
113.02462	0.3
119.03526	0.4
127.35904	0.2
152.17137	0.2
161.04529	0.5
164.21815	0.3
164.39696	0.2
237.15309	0.3
255.84993	0.2
285.12433	0.2
350.18832	1.2
351.20258	0.9
374.15439	0.3
410.17340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22146	0.8
59.81485	0.8
61.98826	100.0
66.35252	0.8
69.34039	4.1
79.98103	1.2
83.35642	0.8
86.12351	0.8
94.89760	0.8
123.01864	0.8
139.03932	1.0
161.89383	1.6
162.89333	1.1
167.03401	1.4
168.03859	1.5
169.04034	1.8
211.22409	0.8
244.73895	0.8
248.02420	0.8
265.14371	1.3
283.39456	0.9
295.14713	0.7
350.11005	1.4
350.20618	1.7
351.21152	9.3
352.21341	22.8
353.21832	44.9
354.21887	1.0
394.21918	0.9
395.22980	7.2
410.03665	2.0
410.25162	11.9
411.03635	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	410.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02726	2.3
51.59465	2.3
51.99836	2.2
54.34910	2.3
61.98828	100.0
63.88368	2.6
78.01101	4.1
107.39716	2.6
139.00371	2.9
215.21198	2.6
219.17542	8.2
242.56136	2.4
281.17590	43.4
282.17825	4.3
289.48233	2.8
325.16550	3.0
368.83188	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	410.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78930	4.9
61.98540	7.2
61.98830	100.0
65.32338	4.9
67.08019	4.1
70.35287	10.9
74.34847	5.2
80.58199	4.6
98.21853	4.9
122.94247	4.7
147.72176	4.6
158.91307	4.9
213.18550	4.8
319.40765	6.0
356.87140	5.1
368.21851	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	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.98829	100.0
69.63093	3.6
69.63470	5.1
79.98121	2.0
90.49406	1.6
105.01926	12.0
106.02323	2.3
106.30959	1.6
118.89970	1.9
167.04691	1.6
232.17047	1.7
248.13705	2.4
249.14828	2.4
249.22264	2.0
250.15317	6.2
265.14346	2.2
266.14853	3.9
278.14862	9.6
294.14426	4.2
306.14166	5.2
321.13339	2.4
322.13693	3.3
323.25681	1.8
351.52417	1.7
367.24884	5.4
410.15332	33.4
411.22620	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	410.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54132	31.8
61.98818	79.6
69.49502	49.4
69.49892	71.7
74.40136	27.3
79.03919	29.3
84.16262	24.4
85.45190	28.6
85.58668	32.3
92.92795	50.2
94.92511	33.7
98.80470	26.3
99.92588	100.0
114.72887	26.6
115.92059	36.6
116.90506	58.8
116.92854	45.3
117.92910	37.5
168.54987	24.1
253.64957	28.4
280.12515	32.0
280.16061	33.3
281.17456	61.5
293.21228	37.3
382.02420	29.9
410.12976	51.6
411.24289	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.62747	1.5
68.47703	1.4
69.59962	5.7
70.16232	1.4
155.94218	1.6
159.28856	1.4
165.86993	1.4
322.17279	1.6
405.57727	1.5
410.19052	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	411.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35113	0.3
59.01364	0.7
59.71450	0.3
61.98820	1.8
63.48449	0.3
66.64697	0.4
71.01388	0.4
75.29240	0.3
75.93529	0.4
79.95729	2.6
82.95399	2.4
96.96008	100.0
121.02901	0.5
137.02454	0.4
145.02995	0.4
149.02431	0.7
165.01962	0.7
171.01431	0.4
173.02551	0.4
193.01408	8.9
197.91850	0.6
207.02998	1.2
231.96873	0.7
235.02405	0.7
241.90857	0.8
248.97151	12.5
249.97508	0.6
263.95850	10.0
276.96823	0.5
290.98224	23.2
291.98608	1.3
292.96085	0.4
307.37186	0.4
313.05649	7.6
374.95474	0.6
411.02518	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	411.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42515	0.5
59.01376	1.0
66.98519	0.6
70.36893	0.8
71.01373	2.4
73.02951	0.7
74.73827	0.5
79.95730	3.5
80.96504	3.4
81.00616	0.5
81.03417	0.6
82.95415	1.6
83.98338	0.5
85.02956	0.6
87.00871	1.0
96.96007	100.0
98.20014	0.5
98.95565	0.6
101.02438	1.5
103.92606	0.4
113.02437	0.7
122.97604	0.5
125.02448	13.8
129.92146	0.5
138.97072	10.1
143.03546	0.6
150.97079	1.2
164.98637	1.3
168.00584	0.7
168.98196	1.0
169.01416	21.5
180.98143	1.1
187.74199	0.5
194.59085	0.6
204.54179	0.5
222.99152	2.4
241.00227	60.5
242.00591	2.1
243.00082	0.5
248.97211	0.6
331.06641	2.5
341.33075	0.5
411.02368	53.9
412.02637	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	411.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61903	6.9
59.01378	100.0
61.98819	27.1
62.98213	6.6
66.73506	6.0
67.62665	6.3
70.45583	14.1
71.01383	94.1
71.71996	7.2
72.46622	6.5
72.99281	20.3
73.02947	17.9
78.95914	9.1
82.95415	57.9
83.01385	15.4
85.02943	24.4
87.00864	20.3
89.02435	29.0
96.95993	26.6
96.96928	8.0
99.00901	10.9
101.02488	30.5
111.00872	6.8
113.02447	26.5
115.00370	10.5
119.03468	10.3
122.03772	7.0
123.04509	26.6
124.01585	6.0
125.02455	13.8
127.03996	7.2
143.03458	11.0
144.02960	6.9
145.02995	9.9
147.03009	37.8
150.03252	8.2
158.12007	6.4
161.02429	12.2
161.04564	19.0
162.03192	6.7
162.16936	7.0
165.05566	19.2
167.03467	10.0
179.05603	20.3
181.03511	19.1
192.00635	16.2
195.06613	13.6
205.03384	8.0
207.08727	16.0
223.04596	18.6
241.90840	7.7
249.02509	21.5
275.99573	10.0
290.98178	11.1
329.08807	11.0
338.15652	7.4
351.05783	23.4
351.16882	8.4
352.05795	7.4
357.11816	17.4
369.13834	30.6
411.01376	7.2
411.06052	19.6
411.10178	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89191	1.1
56.19256	1.2
59.01382	20.9
60.01712	2.1
61.98832	12.6
69.98594	1.5
69.98886	2.2
70.85538	1.2
71.01373	10.3
71.55209	1.2
72.00912	22.0
72.99334	1.7
73.02943	4.0
74.02467	21.8
75.63830	1.3
82.95415	88.7
83.01405	2.2
85.02959	4.8
87.00872	2.7
89.02430	5.8
90.04556	1.2
93.78416	1.3
95.01369	1.8
97.06571	2.9
99.00879	2.2
99.92616	1.3
100.00410	44.7
100.04057	3.2
101.02439	9.3
108.78553	1.4
113.02469	4.6
116.92902	2.2
118.05106	100.0
119.03486	1.9
123.00889	1.7
125.02444	2.7
140.51570	1.2
144.03023	35.1
146.82837	1.2
159.06670	1.6
160.02670	3.7
161.04556	5.7
192.00706	3.7
207.06816	1.5
209.04538	1.3
216.32104	1.2
227.71364	1.2
235.11798	2.1
236.12103	1.7
275.99603	1.4
279.14420	4.5
327.06848	1.9
329.07550	4.0
365.18045	2.0
368.16434	6.3
376.04944	1.5
411.09433	1.8
411.13855	7.3
411.18741	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	411.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16506	0.9
57.03431	1.4
59.01376	66.0
61.98824	8.0
66.91581	0.9
71.01385	13.5
73.02946	4.0
82.95422	1.7
85.02947	4.9
85.06586	100.0
85.23023	1.0
86.06922	1.1
87.00871	15.7
87.04514	40.4
89.02441	8.9
95.01392	1.3
97.02972	1.1
98.21883	2.3
101.02439	9.9
101.06057	3.3
110.06114	1.4
111.04543	2.1
113.02447	15.7
113.06086	19.0
115.04017	1.6
119.03490	6.9
119.83068	0.9
125.02445	1.7
129.05574	16.0
139.03972	1.3
143.03517	1.9
157.05075	1.4
159.06638	1.6
161.04565	6.3
171.06587	1.8
177.07770	1.2
179.05606	2.1
189.07669	33.8
201.38885	0.9
204.04277	2.2
205.69887	1.0
207.06654	1.7
211.43126	1.0
219.79495	1.0
233.42615	1.1
249.09846	2.7
274.84747	1.0
279.14481	1.2
286.12704	2.6
365.18213	4.0
411.18152	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	411.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.3
57.03439	4.8
59.01379	100.0
61.98837	9.6
69.03445	3.6
70.26531	3.8
71.01379	69.6
72.99304	12.3
73.02955	16.5
75.00871	2.4
81.03418	2.5
82.95418	18.2
83.01379	15.1
85.02950	25.5
87.00865	16.5
88.73244	1.5
88.98786	1.8
89.02429	9.6
95.01396	8.1
96.20998	1.7
96.95998	5.9
96.96966	2.6
97.02940	5.8
99.00901	12.8
101.02438	34.8
109.02966	3.6
109.06646	2.1
113.02446	24.6
114.03237	2.1
115.00380	4.7
115.04052	2.9
118.05130	3.4
119.03510	4.6
122.03743	14.4
123.00857	3.2
123.04503	6.0
124.01646	5.6
125.02461	15.2
127.04012	2.6
129.01910	2.9
139.04007	3.4
141.01935	5.8
143.03510	13.4
147.02992	21.0
148.54390	1.8
149.06091	3.1
155.03513	5.3
157.05066	3.6
159.02985	4.1
161.04564	21.2
162.03206	2.8
165.05463	2.5
175.06139	15.2
178.02701	1.8
179.05588	4.8
181.03593	3.5
183.86929	1.8
189.01756	2.9
189.07658	3.8
192.00629	1.8
195.06654	2.1
207.08730	54.9
208.09135	2.2
222.03781	10.5
223.04417	2.4
248.01740	3.3
249.02560	3.6
249.09718	9.7
267.07278	4.6
275.99606	3.4
329.08453	2.9
351.01691	2.4
351.05780	15.4
351.12723	17.6
357.11945	2.0
369.09418	3.3
369.13986	51.9
370.14420	4.3
374.95831	2.4
409.07608	1.9
411.06570	7.4
411.11038	4.7
411.15140	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	411.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	80.0
69.58239	100.0
69.58617	69.3
99.92549	46.4
102.52305	38.1
153.02449	34.5
160.99638	30.4
217.74992	33.4
411.20737	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43195	0.1
59.01377	5.9
69.75587	0.1
71.01389	0.6
71.45398	0.1
73.02902	0.1
81.66086	0.1
83.01382	0.2
95.01385	0.9
96.02170	0.2
101.02455	0.2
108.02168	8.8
109.03074	0.1
111.00856	0.5
113.02444	0.2
115.55260	0.1
120.99690	0.2
121.02898	0.1
122.03725	3.7
123.00889	0.2
124.01656	0.4
135.04509	0.6
135.60452	0.1
136.01686	1.0
136.05296	4.5
149.06035	0.3
150.03217	1.4
163.03998	1.5
164.08415	9.2
165.08762	0.4
177.05576	0.5
191.07101	0.4
192.07913	14.0
193.08296	0.6
196.07489	0.3
207.10251	100.0
208.10583	5.1
329.21906	0.1
411.20300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40589	0.9
51.96541	1.3
53.83851	0.8
59.01378	36.0
61.98835	1.5
62.37406	0.8
69.44675	3.3
71.01389	15.0
73.02947	13.9
79.82792	1.2
83.01379	3.0
85.02950	5.7
86.37492	0.9
87.00882	2.0
89.02445	4.4
95.01393	1.2
97.02318	0.9
97.02933	1.2
99.00905	1.7
101.02445	10.4
108.02213	1.4
109.02958	8.0
113.02463	7.3
119.03516	1.3
123.04562	1.3
134.03709	1.4
135.04539	3.4
136.05324	7.0
143.03496	0.9
146.07376	1.1
149.06062	1.2
161.04582	2.5
163.04060	1.4
163.07648	1.3
173.06059	2.8
174.06836	8.5
177.05569	2.8
189.09200	19.2
190.09715	1.1
191.07118	4.3
191.10773	2.9
192.07877	6.2
205.08719	1.4
206.09441	2.5
207.10248	100.0
208.10635	5.5
249.11388	2.3
253.27127	0.9
351.14465	31.7
352.14746	2.3
369.15518	51.6
370.15759	4.3
411.15970	5.1
411.21176	1.3
429.68292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93686	0.3
55.01859	0.8
57.03431	0.9
59.01381	18.9
59.30015	0.3
69.03452	0.4
69.49250	0.8
69.49629	0.8
71.01381	9.7
71.23412	0.4
72.99335	0.3
73.02946	4.6
75.00907	0.4
79.95557	0.3
81.11021	0.3
83.01402	1.5
85.02951	4.4
86.00089	0.7
87.00882	2.1
88.33104	0.3
89.02441	1.8
93.03441	0.4
95.01390	1.5
97.02953	0.4
99.00878	1.3
101.02434	4.7
108.02142	0.5
109.02946	7.9
110.03355	0.4
113.02442	3.5
122.03728	1.1
123.04519	0.6
125.02450	0.8
134.03705	0.9
135.04532	4.5
136.05302	5.1
143.03519	0.7
145.02907	0.5
146.07361	0.8
147.04497	0.5
149.06055	1.1
159.04512	0.6
160.05247	0.6
161.04581	0.5
163.04007	1.3
168.63495	0.3
173.06038	2.8
174.06853	8.8
176.08397	1.0
177.05577	3.3
189.09206	17.4
190.09534	0.6
191.07153	1.1
191.09201	0.3
191.10722	2.3
192.07936	6.1
207.10257	100.0
208.10602	5.5
236.22450	0.3
241.34387	0.3
249.11366	0.5
351.14471	28.2
352.14795	2.4
369.15527	57.9
370.15842	3.5
411.16360	5.2
412.16873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	3.4
69.34397	1.6
69.34689	7.9
78.01115	2.1
78.49889	1.5
80.81988	1.3
89.96172	1.4
93.07095	1.5
99.00865	4.5
108.02165	2.1
109.06563	2.5
110.00135	1.9
115.57009	1.5
119.05054	4.1
121.06596	3.2
123.00893	8.4
125.99609	2.5
136.01691	2.1
137.06071	5.1
137.99571	13.6
139.00378	3.6
139.07591	1.8
148.19301	1.5
149.02454	10.1
151.14963	2.2
152.01146	2.4
163.04056	1.9
165.05580	8.4
167.14415	21.2
168.14856	1.7
177.01993	1.7
177.05513	1.5
181.16081	1.5
185.15338	1.4
191.14447	6.5
197.15454	2.6
209.15532	2.3
223.13382	28.1
225.14928	3.0
235.13293	2.7
237.15051	3.2
251.12881	100.0
251.23647	2.2
252.13220	6.0
253.14444	86.4
254.14789	4.7
261.22159	3.5
269.12057	2.4
277.21851	2.1
279.12378	97.9
279.23291	4.2
280.12747	8.9
281.13901	4.5
287.20068	3.3
288.07092	1.6
289.21677	5.6
305.21271	17.4
306.21500	2.7
307.22696	11.7
315.19635	4.7
331.19083	5.4
333.20700	63.5
334.21066	5.6
337.36502	1.5
349.20132	6.3
351.21759	3.7
359.18509	6.3
365.17798	2.5
377.19592	11.8
378.20029	2.0
393.17371	8.9
393.22342	3.7
411.18619	18.4
411.23767	3.4
412.18658	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	411.2022
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
52.09974	0.6
53.66591	0.7
55.01869	1.1
57.03454	1.3
59.01377	62.3
59.18991	0.5
69.44516	1.6
69.44907	2.0
71.01379	31.3
72.99295	1.1
73.02953	3.3
73.12074	0.6
83.01388	3.8
85.02949	8.5
87.00839	0.8
87.52815	0.6
89.02439	31.3
95.01383	2.0
99.00874	1.1
101.02439	23.1
111.90749	0.6
113.02438	11.5
119.03497	16.0
131.03494	0.8
138.67433	0.7
143.03493	2.5
161.04555	1.9
179.05598	1.6
187.14917	3.8
205.15958	0.9
222.36406	0.7
230.74089	0.6
231.13887	46.8
231.43791	0.7
232.14273	3.2
233.15514	1.6
249.14952	6.7
294.70963	0.7
411.20212	100.0
412.20532	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	411.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03440	0.7
59.01378	100.0
60.01701	0.9
61.98832	2.5
66.25521	0.4
69.03468	0.6
69.29386	2.1
71.01382	14.7
73.02946	20.9
74.03245	0.5
77.44026	0.4
83.01379	4.0
85.02958	3.9
89.02444	6.3
95.01386	1.0
97.02982	0.5
101.02444	17.8
101.03093	0.9
112.33284	0.4
113.02451	10.0
119.03490	2.4
121.06616	0.7
122.03764	1.0
125.02435	0.7
131.03526	1.8
137.06142	1.5
137.09714	5.8
143.03535	1.3
149.04587	1.2
155.03485	0.5
161.04530	3.5
179.05644	0.9
187.14935	1.1
189.12898	0.9
192.07921	0.4
205.12404	0.8
207.10254	4.2
207.11766	0.4
238.10655	0.5
249.11349	0.6
411.20532	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	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03447	0.8
58.00602	0.5
59.01377	100.0
60.01712	0.5
67.70965	0.3
69.03462	0.7
69.31194	1.7
71.01379	18.6
72.99333	0.3
73.02944	35.0
74.03296	0.4
75.00880	0.4
81.03481	0.4
83.01385	6.6
85.02942	3.9
87.00887	0.7
89.02441	7.9
89.88803	0.3
95.01434	0.9
97.02962	0.6
98.22645	0.5
99.00860	0.5
101.02441	24.7
102.02806	0.4
113.02449	9.6
113.03249	0.5
119.03500	2.5
121.06601	0.8
125.02493	1.0
129.25230	0.3
131.03500	2.3
131.15012	0.3
137.09723	8.3
138.10095	0.6
143.03529	1.9
149.04604	1.2
155.03529	0.6
161.04555	5.4
162.17836	0.3
179.05624	0.7
189.12798	1.5
191.05615	0.4
345.98257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.4
57.03441	2.0
59.01392	2.2
68.99809	4.0
69.03453	3.0
70.03894	1.5
70.04214	2.0
71.01379	2.3
71.05008	1.8
78.95902	5.9
79.52003	1.1
79.98096	1.3
81.03483	1.5
83.01357	1.7
83.05018	2.1
84.02161	2.4
85.02944	4.5
85.06572	5.3
93.03461	2.0
95.01371	2.5
96.02150	2.1
97.02962	5.1
99.00875	17.7
106.04227	1.2
109.06575	1.7
111.00911	2.3
111.08145	10.5
121.06575	4.4
123.00906	2.1
124.01651	1.7
127.00412	1.3
137.02371	1.6
137.06108	1.4
137.09726	2.8
139.07640	20.0
141.04381	1.2
151.03979	3.6
152.99571	7.9
155.00018	4.1
166.06349	1.7
167.07129	3.0
179.17981	3.0
181.15945	1.8
183.17592	1.2
193.05013	2.5
195.17488	3.0
197.19087	8.2
199.17056	8.5
207.17511	4.5
209.19049	8.0
211.05930	1.5
211.17050	1.8
213.18462	1.6
221.19020	7.4
223.17026	84.2
224.17407	5.2
225.18613	24.5
237.18550	3.0
239.16699	1.4
239.20157	1.2
239.23720	1.2
249.18611	8.8
251.20128	3.1
253.18106	12.4
263.16406	1.4
265.18036	8.6
265.25394	1.1
267.19623	8.5
275.23666	1.7
277.18152	3.1
277.25360	18.4
278.18741	4.1
279.15936	4.4
281.17596	17.1
293.17618	1.6
293.24850	2.1
295.19162	2.0
295.26309	3.3
305.24777	1.9
307.15564	1.2
308.15958	1.2
309.16953	3.3
321.24323	100.0
322.24695	7.5
325.16492	5.3
339.25400	8.1
349.23880	14.9
350.24261	1.6
367.24933	1.6
379.24683	1.6
393.22504	1.4
411.23904	33.4
412.24127	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2537
Annotation	Robustol
Peak:m/z	Relative Intensity
55.01880	1.4
61.97039	0.3
61.98824	1.0
63.96212	0.3
69.31499	1.4
70.29327	0.3
79.98111	1.2
81.03459	4.0
105.07090	1.1
108.02064	0.3
119.94614	0.3
122.03741	9.7
123.04582	0.6
135.04524	4.1
136.05305	5.1
137.06097	7.3
149.06081	11.6
150.06841	1.5
151.04021	0.5
151.07617	0.8
152.91850	0.3
160.84200	0.4
163.07611	1.5
175.07631	0.8
177.09198	0.7
189.09074	0.3
191.10806	1.0
205.12387	0.6
217.12201	0.4
219.13899	0.3
237.22272	0.9
246.16324	0.6
249.40909	0.3
259.17056	1.0
261.18561	1.7
273.18671	0.8
277.58875	0.3
291.23059	0.4
311.25839	0.3
327.23193	0.6
337.21884	0.4
341.24982	0.8
351.23376	0.7
355.22754	0.4
367.26437	3.6
368.26047	0.5
369.24390	1.0
411.25406	100.0
412.25717	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	411.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77399	8.3
52.13549	7.6
61.97046	9.0
61.98818	17.9
63.96212	8.6
65.01437	12.8
69.44984	34.5
79.98106	35.8
90.61491	6.9
98.22568	9.5
103.27179	7.3
103.27971	7.7
120.90249	18.1
123.00891	46.2
127.27144	7.4
137.02510	9.9
165.01910	17.1
172.46429	7.9
194.19144	8.5
255.91049	25.2
279.16125	39.0
375.24820	8.3
375.28998	13.8
397.03931	15.4
411.22208	11.2
412.06091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24872	21.1
52.04820	20.6
52.54272	20.3
61.98825	63.9
62.59939	23.4
66.22376	23.3
71.45649	22.3
74.65765	20.7
78.95890	83.9
96.96011	59.7
106.08708	20.5
135.15521	22.3
152.99551	47.4
153.99850	23.8
293.17490	43.3
326.18939	28.9
353.19943	100.0
375.25217	72.1
388.48315	24.8
411.24847	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59536	0.6
52.82219	0.6
59.01379	100.0
60.01707	0.8
65.08764	0.8
69.65926	1.7
69.66278	1.4
83.14443	0.7
85.42437	0.6
98.22553	1.2
105.59847	0.6
112.40818	0.7
118.22098	0.7
119.44439	0.7
123.00935	0.8
149.45822	0.6
167.32799	0.6
184.98357	0.7
186.40981	0.7
195.17612	0.7
223.13403	0.6
225.78130	0.6
226.03923	0.7
236.96980	0.6
251.12938	4.6
253.14377	3.2
253.18208	1.6
279.12430	3.1
279.15561	0.8
280.12930	0.9
281.17484	3.6
294.93771	0.8
333.20755	2.1
334.53983	0.6
377.19879	0.7
411.04483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.5
71.43397	4.3
79.75246	2.9
96.96017	33.0
97.93155	3.7
99.91972	5.1
99.92589	84.1
100.93352	6.4
115.92067	13.1
116.92879	16.0
118.89981	100.0
119.89968	6.1
119.90767	8.0
134.89464	28.3
135.90250	24.3
219.17584	6.2
313.28809	3.2
339.18100	9.2
340.11209	12.0
358.12512	14.0
376.09119	4.2
376.13422	36.0
377.13550	4.6
394.10077	4.6
400.37943	3.2
412.11108	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	412.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11918	0.4
57.03442	0.4
59.01375	29.1
61.98825	100.0
70.11396	0.9
71.01379	2.4
73.02941	0.8
85.02961	1.3
89.02442	0.8
93.03465	0.5
99.62357	0.4
101.01855	0.3
101.02425	1.7
113.02463	1.1
119.05041	1.0
137.02467	1.7
145.03001	0.6
161.06203	0.4
176.08440	1.0
191.10741	2.4
196.04651	0.4
209.11804	3.4
229.06114	1.1
233.11826	0.5
251.16502	2.4
349.11877	0.8
353.16089	2.2
371.17035	5.3
413.12817	0.6
413.22171	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	412.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12136	0.5
51.61157	0.6
53.17749	0.5
59.01070	0.9
59.01377	28.3
61.98826	100.0
67.98380	0.4
69.22633	1.3
69.23044	1.8
70.34561	0.5
71.01392	2.5
73.02954	1.8
85.02962	0.8
87.00894	0.6
101.02438	2.0
113.02457	1.2
130.91412	0.4
131.04810	0.5
139.78525	0.4
142.66525	0.5
145.60631	0.5
198.42560	0.5
201.26909	0.6
211.17424	0.5
235.20830	0.5
263.15054	2.0
288.17188	0.5
305.15939	0.6
412.16187	0.8
413.22131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.5
61.34758	1.1
69.40321	5.3
82.98882	1.0
96.01025	1.2
108.02177	3.7
122.03733	1.9
124.59568	1.0
136.05264	2.6
139.66302	1.1
164.08438	3.9
184.65765	1.3
192.07924	7.8
207.10260	100.0
208.10625	4.9
214.95242	1.2
251.16518	2.8
345.14398	1.3
350.20099	1.4
369.16135	1.3
401.74753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99086	2.2
59.01373	50.6
61.98827	65.6
71.01379	23.4
73.02934	5.4
85.02935	7.4
87.00867	2.4
89.02452	23.2
91.95791	2.2
101.02467	14.1
113.02428	10.5
119.03482	8.5
124.55216	3.0
135.04526	3.1
161.04549	11.1
179.05603	5.8
207.10262	100.0
208.10553	6.7
232.14215	3.2
233.11757	3.4
317.56650	2.9
412.20511	10.9
413.21588	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	412.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	53.9
61.98829	48.3
71.01389	24.1
71.45369	3.7
73.02943	4.5
82.96056	3.4
85.02947	7.3
89.02450	27.2
101.02436	14.6
101.32581	2.9
108.31165	3.3
113.02447	12.8
119.03516	12.8
143.03505	3.7
161.04556	8.3
169.45886	3.3
179.05638	5.0
181.73322	2.9
193.11206	3.2
207.08270	5.1
207.10246	100.0
208.04227	3.2
208.10632	5.8
238.76410	3.6
251.12860	3.0
274.41025	3.0
331.32401	3.5
371.75055	3.1
412.20554	9.3
413.21661	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	412.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	53.9
61.98829	48.3
71.01389	24.1
71.45369	3.7
73.02943	4.5
82.96056	3.4
85.02947	7.3
89.02450	27.2
101.02436	14.6
101.32581	2.9
108.31165	3.3
113.02447	12.8
119.03516	12.8
143.03505	3.7
161.04556	8.3
169.45886	3.3
179.05638	5.0
181.73322	2.9
193.11206	3.2
207.08270	5.1
207.10246	100.0
208.04227	3.2
208.10632	5.8
238.76410	3.6
251.12860	3.0
274.41025	3.0
331.32401	3.5
371.75055	3.1
412.20554	9.3
413.21661	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	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01376	7.9
60.01731	0.4
61.98829	100.0
69.96044	0.8
71.01380	4.6
72.99313	0.7
73.02950	0.8
75.00879	2.0
77.87064	0.4
81.03445	0.5
85.02952	3.9
87.00893	1.3
89.02428	1.8
93.03457	0.7
95.01388	1.0
98.22054	0.4
99.00893	1.5
101.02442	0.9
105.09641	0.4
105.41167	0.4
113.02450	4.1
115.00439	0.4
117.01947	0.4
117.03426	0.4
119.05026	5.8
123.04517	1.6
125.07438	0.3
137.02429	0.8
145.02921	2.7
147.04495	1.8
149.02473	0.8
151.03972	0.5
157.01372	0.4
161.04512	0.5
162.03311	0.4
163.04013	5.8
164.08467	1.5
165.01970	1.3
177.01953	0.3
188.69690	0.4
189.09187	0.5
191.07137	5.0
193.01411	14.1
193.03142	0.7
194.38696	0.3
207.03049	1.5
229.08981	0.4
235.02519	2.0
237.07710	0.8
237.96524	0.4
249.06120	3.5
251.09218	6.0
251.11610	0.5
263.12695	0.5
267.07205	14.7
279.12375	1.0
355.06757	0.4
362.87247	0.4
369.15765	0.8
413.10684	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86158	14.0
59.01382	100.0
61.98837	28.6
70.35393	15.9
71.01381	62.4
73.02945	25.6
85.02945	21.0
89.02445	39.1
93.94563	14.5
98.22734	29.4
101.02427	59.3
113.02409	41.9
122.03656	18.4
123.04515	16.2
138.72128	14.7
161.04590	24.8
207.10248	58.9
208.10678	28.6
209.11826	54.8
278.17773	15.2
284.39206	14.9
289.39996	15.3
308.98218	13.9
353.15930	51.0
371.16989	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	4.2
59.01377	82.1
61.98832	48.1
71.01376	50.2
71.45198	3.9
73.02962	6.0
83.01388	4.6
85.02953	17.5
89.02431	37.3
99.00890	4.4
101.02440	31.0
113.02448	18.6
119.03488	14.6
120.84319	4.2
123.04617	5.4
125.02477	6.5
135.04562	4.9
161.04526	12.0
174.23244	4.0
179.05637	5.9
207.10257	100.0
208.10567	6.3
251.13004	6.2
306.04147	4.3
396.86520	4.1
412.20413	12.8
413.21780	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	412.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98833	29.0
69.39932	30.7
69.40315	28.7
71.01369	51.7
72.09602	12.3
89.02430	66.7
90.65149	12.9
101.02422	31.8
113.02446	27.1
113.50024	13.9
119.03443	18.6
142.03806	13.4
209.11887	60.7
256.27795	13.4
311.49631	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	412.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	56.7
59.01375	100.0
61.98819	11.8
63.66043	3.1
71.01382	28.2
71.45229	3.3
73.02946	9.3
80.91676	3.8
85.02943	15.1
89.02444	22.8
92.22527	3.3
99.04514	52.2
101.02429	33.7
111.29342	3.1
113.02435	11.5
119.03497	7.8
125.02415	18.4
143.03468	5.2
149.06096	4.8
151.03940	3.9
153.01944	5.8
161.04523	13.7
177.99054	3.6
179.07114	5.5
194.39732	4.0
203.03572	3.4
207.06599	14.6
208.07414	6.6
223.09494	4.0
233.08170	3.7
235.06113	15.8
250.08427	19.1
251.09171	19.0
251.12866	17.3
251.16895	4.3
269.10248	13.9
413.13937	11.7
413.18530	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	412.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55396	1.1
59.01383	12.4
61.98816	4.6
69.19125	7.0
71.01382	3.4
78.95901	57.6
85.02974	1.1
87.31234	1.2
89.02441	1.8
90.98313	1.1
96.96944	5.9
97.69478	1.2
101.02441	1.6
115.77921	1.1
119.03507	1.3
121.70333	1.4
131.62581	1.1
147.10014	1.3
150.97992	2.1
152.99585	100.0
161.04572	2.0
171.00606	4.7
203.05765	1.2
204.06464	1.3
209.11868	1.8
356.99271	1.3
357.14539	1.5
358.14893	2.3
381.13199	27.1
383.44061	1.5
413.15631	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	412.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34602	0.6
61.98828	100.0
65.02238	0.5
79.60461	0.6
80.36670	0.7
94.68489	0.7
134.80714	0.6
377.23630	1.8
380.64709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50949	28.7
61.98814	100.0
89.27902	31.5
99.85891	30.0
133.39546	33.9
159.13745	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.7
61.98829	97.6
69.42812	10.6
69.43201	14.1
76.46118	6.1
91.60037	7.2
98.21765	5.8
104.51693	7.0
139.54147	6.9
195.17480	29.1
203.07504	5.5
219.17548	21.0
263.66577	7.5
264.16339	6.1
279.15942	16.5
281.17493	100.0
282.17944	12.8
283.18768	10.3
295.22763	9.2
325.16498	12.3
427.32056	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	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97222	0.8
55.01861	1.0
55.57380	0.7
57.03442	1.6
58.31308	0.8
59.01379	33.5
61.98826	28.4
67.01875	0.9
68.99803	1.5
69.03444	1.9
71.01379	24.7
72.99310	4.9
73.02929	1.9
75.00869	14.2
76.14036	0.7
81.03438	1.2
83.01373	3.0
85.02451	1.5
85.02946	23.6
87.00876	9.3
89.02435	7.8
93.03439	1.8
95.01393	4.6
96.95998	1.2
99.00884	10.1
99.04498	1.1
101.02448	3.7
103.00347	2.4
109.02901	1.8
111.00880	1.2
112.01611	0.9
113.02448	28.7
115.00343	2.0
117.01894	2.5
117.03436	3.5
119.05024	39.3
120.05326	1.5
121.02976	0.9
122.03769	1.0
123.04506	5.1
125.02449	1.6
129.01901	1.7
131.03526	1.5
135.04413	1.2
137.02414	2.5
137.06052	1.0
145.02950	18.5
147.03429	1.1
147.04497	7.2
148.05209	1.0
149.02441	1.2
149.04504	0.9
149.09731	1.2
151.03967	1.8
153.01833	1.2
161.07133	1.3
163.04012	37.0
163.07593	0.9
164.04359	1.6
164.08418	6.8
165.01891	3.1
165.09146	1.8
175.02484	2.2
179.07054	1.0
183.05458	0.8
189.09142	3.2
191.05409	1.3
191.07135	23.0
192.07364	1.3
193.01410	31.6
194.01820	1.9
207.02910	2.4
207.04889	1.5
207.06754	1.0
209.08055	2.1
231.05125	1.5
233.04449	0.8
235.02423	3.0
237.07561	4.5
249.03658	1.5
249.06122	25.0
251.09219	31.5
252.09534	1.8
263.12860	1.9
267.07193	100.0
268.07513	4.4
279.12274	1.5
323.14786	2.8
335.42764	0.9
395.09665	1.3
413.10678	67.0
414.10782	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	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56916	0.7
57.03430	2.9
59.01376	27.4
61.98832	4.1
68.99804	1.0
69.03429	0.9
70.00780	0.9
70.01094	1.7
71.01376	24.7
72.99315	4.3
73.02940	2.2
75.00873	13.3
77.97519	0.8
81.03432	1.1
83.01397	1.9
85.02947	22.6
86.08685	0.8
87.00877	9.6
89.02441	7.3
91.04023	1.0
93.03445	3.1
95.01392	5.9
99.00886	9.8
101.02451	2.8
103.00371	2.4
109.02934	3.6
109.75010	0.8
113.02452	32.3
115.00368	1.8
117.01896	2.9
117.02667	1.0
117.03458	3.3
119.05024	37.9
120.05388	1.3
125.02440	2.5
129.01936	1.6
137.02444	5.5
145.02962	20.4
146.03322	0.8
149.04486	0.9
151.03922	0.9
153.01913	6.9
163.04005	31.5
164.04381	1.0
165.01888	1.5
169.12564	0.9
175.02472	2.6
181.34111	0.8
184.31421	0.8
191.03484	1.4
191.07025	0.9
193.01459	5.1
206.81693	0.9
207.05032	1.7
221.24088	0.9
231.04945	1.0
237.07651	3.6
249.06145	21.6
250.06468	1.1
263.13016	1.4
267.07202	100.0
268.07507	3.0
275.05591	1.3
279.12296	1.3
281.06549	1.0
297.13437	1.2
323.14896	3.5
369.11890	1.2
395.09924	1.1
413.10858	71.5
414.11478	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	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
69.54897	14.9
71.01374	32.2
73.02939	9.5
83.01376	4.3
85.02946	11.3
87.00875	5.5
89.02435	21.9
99.00819	3.9
101.02445	25.5
113.02448	14.4
119.03486	8.4
120.55423	3.6
122.03712	5.8
149.09706	11.6
161.09796	4.3
165.09198	58.3
189.09273	5.3
191.10753	12.4
207.10222	7.8
209.11813	36.7
242.64948	3.9
251.16498	6.2
271.99954	4.6
309.13409	49.4
310.13531	5.7
327.14432	62.2
328.14597	10.0
351.04840	4.2
369.15445	26.4
370.15805	5.9
371.17041	42.5
413.21698	14.0
415.79889	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80703	0.9
53.02092	0.7
55.01901	0.9
57.03447	100.0
58.03779	1.6
59.01378	87.0
69.18929	4.1
71.01382	19.7
73.02956	7.7
78.95915	1.9
81.03479	2.2
83.01380	3.5
85.02942	8.7
87.11093	0.7
88.18055	0.7
89.02456	2.3
95.01431	1.6
96.96004	0.9
99.00899	2.7
99.04518	78.0
100.04860	1.3
101.02442	34.3
102.02769	0.8
107.05030	1.0
113.02454	7.8
119.05016	1.6
123.00883	0.9
125.02447	22.9
135.99593	0.6
138.03236	0.8
140.97006	0.7
143.03506	1.8
149.06155	1.2
152.01176	0.9
152.99551	4.2
153.01959	1.8
154.02713	0.8
159.03041	2.4
161.04585	8.2
179.07208	2.2
193.01498	1.1
207.06670	1.8
208.07372	1.5
209.08159	1.0
222.08788	0.8
223.09787	1.1
233.08308	1.8
235.06200	3.0
250.08488	2.2
251.09210	4.3
251.13103	1.0
269.10278	23.6
270.10675	1.3
311.11523	2.5
381.12976	0.9
413.14172	6.3
438.92676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.2
59.90890	0.3
61.98820	0.5
71.01367	1.3
73.02930	0.4
75.36918	0.3
78.95901	55.3
81.03468	0.3
83.01369	0.4
85.02937	0.4
86.45821	0.3
89.02467	0.8
96.96005	0.5
96.96957	7.3
101.02436	0.8
101.77953	0.3
105.05749	0.3
112.80930	0.3
113.02447	0.8
119.03506	0.4
135.04521	0.5
137.02428	0.3
150.98015	1.8
152.99585	100.0
153.99918	1.2
163.11272	0.4
171.00645	4.5
207.06602	0.5
209.08183	0.5
209.11839	2.2
235.06061	0.4
251.09279	1.2
251.12892	0.4
289.07217	0.5
357.14355	0.4
375.15729	0.6
381.13174	17.3
382.13632	1.5
413.15732	11.8
413.27615	0.5
414.15942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95094	0.4
55.01881	0.5
59.01378	23.3
60.01720	0.3
64.91468	0.3
69.31790	1.5
70.19392	0.3
71.01382	8.0
72.99313	0.6
73.02936	2.6
76.10938	0.3
80.02673	0.4
83.01387	1.1
85.02958	3.4
85.06557	0.5
87.00875	0.9
89.02443	5.4
95.01403	1.1
99.00896	0.5
99.08173	0.4
101.02441	5.3
108.02176	10.6
109.02963	3.9
112.82533	0.4
113.02461	3.7
119.03521	1.7
122.03751	0.3
123.04559	2.9
125.02347	0.4
135.04527	0.9
137.02440	14.4
138.03226	1.7
143.03517	0.5
148.08929	1.8
149.06107	0.6
149.09763	0.5
151.04012	4.0
159.03032	0.4
161.02428	0.4
161.04546	1.0
161.05991	0.6
163.07632	0.4
165.09192	1.4
175.11261	0.4
176.08423	6.8
177.09193	2.9
191.10779	12.1
192.11238	0.6
193.08690	8.6
193.12389	0.8
194.09454	7.0
195.09987	0.4
207.10284	1.9
208.11031	2.1
209.11821	100.0
210.12164	5.2
218.09465	3.0
219.10193	1.2
226.08430	1.2
231.10373	0.5
233.11801	2.4
233.15414	0.8
235.13394	0.6
244.11139	0.5
245.11655	0.5
251.12868	3.4
251.16516	4.3
259.13364	0.6
263.12759	0.4
267.29599	0.4
275.13086	0.4
287.12891	0.6
293.13873	0.4
321.13379	1.0
335.14966	0.9
353.16037	15.6
354.16437	1.0
371.17096	21.3
372.17459	1.3
390.68979	0.4
413.21991	10.3
414.22107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03437	1.0
59.01380	67.8
69.39686	2.9
69.40092	2.1
71.01005	1.6
71.01379	20.3
73.02943	8.8
77.17683	0.9
77.98397	1.0
78.02786	1.0
78.34801	0.8
78.68475	0.8
83.01386	4.1
85.02953	10.4
87.00862	3.5
89.02438	9.9
95.01369	2.2
99.00878	1.9
101.02451	18.8
108.02184	7.3
109.02950	2.7
113.02443	7.4
119.03490	4.4
123.04510	3.1
129.01941	1.5
135.04512	4.3
137.02437	9.6
138.03159	1.3
147.04555	1.2
148.08951	6.1
151.04004	2.7
161.02440	1.4
161.06073	1.8
162.03159	1.0
175.04060	1.4
176.08421	26.5
177.09094	3.2
178.09973	2.0
191.10774	44.0
192.11267	2.1
193.08669	1.4
193.12308	4.3
194.09474	5.6
207.10120	1.0
209.11832	84.9
210.12212	4.0
218.09483	8.1
226.08479	2.4
233.11850	5.0
244.10999	1.4
251.12880	3.8
259.13367	2.7
287.12906	2.5
290.27051	0.9
293.13745	1.7
321.13007	1.2
335.14899	2.6
353.16058	52.0
354.16284	3.2
371.17078	100.0
372.17371	7.0
413.18069	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	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32175	1.7
59.01379	100.0
59.02508	1.9
60.01726	2.0
69.37936	9.7
71.01370	9.8
82.49514	1.8
83.01341	1.7
85.02957	2.7
89.02431	6.5
101.02470	8.6
113.02425	4.3
119.03530	2.6
219.78642	1.6
233.15465	5.7
234.84258	1.8
236.10446	3.2
251.12798	2.9
251.16570	9.5
401.38876	1.9
413.16690	3.4
413.21814	55.3
414.22177	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	413.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
59.01378	22.1
61.98818	0.9
64.77503	0.4
69.20323	2.2
71.01375	4.9
73.02930	1.1
80.91674	1.6
83.01373	0.8
85.02946	1.7
87.00843	0.5
89.02443	2.6
95.01376	0.5
98.22601	0.9
101.02425	3.8
113.02427	2.1
119.03515	1.1
122.03735	8.7
122.47353	0.4
123.04513	0.8
125.02428	0.6
135.04533	1.3
136.05220	0.6
137.02429	0.8
137.06075	1.5
149.06082	1.1
150.06781	0.4
151.04022	0.5
154.89209	0.3
161.04523	1.5
176.08354	0.5
177.09203	1.1
179.05504	0.5
191.10765	1.6
192.43535	0.4
193.08766	0.4
194.09468	3.4
207.10223	0.9
209.11821	100.0
210.12123	5.5
218.22858	0.3
233.11993	0.4
251.12906	3.5
251.16432	1.1
313.99747	0.4
353.16022	0.9
371.17041	2.3
413.17685	1.6
413.22678	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	413.1814
Annotation	Dichotomoside E
Peak:m/z	Relative Intensity
55.01646	0.3
55.01886	0.7
59.01380	2.5
61.98805	0.3
69.11172	0.4
69.11574	0.9
71.01380	1.4
73.02932	0.4
76.06244	0.2
78.95894	0.3
79.77338	0.2
80.91687	0.3
81.03493	0.3
83.05021	0.3
84.68105	0.2
85.02946	0.6
89.02466	1.0
90.76137	0.2
95.01344	0.3
95.05020	0.8
101.02431	0.9
106.74467	0.2
113.02449	0.9
119.03485	0.4
121.06577	0.3
133.06558	0.3
133.10229	0.5
135.08170	0.8
136.05321	0.4
137.06082	1.0
147.63423	0.2
149.06073	0.6
150.06876	1.5
151.11313	1.1
152.99562	0.2
161.04552	0.6
162.43120	0.3
163.07677	0.4
163.14923	0.5
165.09235	1.0
165.12918	0.5
171.11789	0.4
177.09216	2.0
178.47905	0.3
179.05769	0.2
189.12843	6.9
191.10768	6.1
203.14560	0.3
205.12259	0.4
207.13896	2.2
209.08211	3.4
209.11795	0.4
210.08554	0.3
215.10785	2.5
216.11082	0.3
233.11821	48.7
234.12183	3.6
251.12883	100.0
252.13239	6.2
265.14322	0.5
275.12930	0.7
293.13956	0.4
386.12146	0.2
389.07056	0.3
413.18167	22.3
414.18451	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	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
57.03430	2.5
58.00592	1.0
59.01377	69.2
68.99807	0.8
69.03429	1.0
69.20924	4.0
71.01379	31.5
72.99315	1.3
73.02553	1.2
73.02944	20.8
75.00884	0.9
81.03397	0.7
83.01391	8.0
85.02451	0.9
85.02944	14.5
86.00089	2.6
87.00861	2.1
89.02441	7.5
95.01366	3.0
97.02940	1.9
98.21847	1.4
99.00872	3.1
101.02444	21.7
109.02941	0.7
111.00891	4.2
112.01653	2.6
112.64861	0.7
113.02454	14.0
115.20486	0.7
116.44138	0.7
119.03490	2.1
122.03741	6.7
124.01649	1.4
125.02450	3.0
131.03503	0.7
135.04504	2.0
136.05283	6.3
136.66635	0.6
137.06119	3.1
141.01982	0.8
143.03487	3.2
149.04675	0.6
149.06058	1.5
151.07660	2.4
161.04559	2.6
165.05624	0.7
167.27405	0.7
176.08450	1.7
177.09273	0.8
191.10785	9.8
194.09474	4.0
209.11815	100.0
210.09302	0.6
210.12164	5.1
240.48923	0.6
251.12952	2.4
251.16498	1.2
279.12357	1.0
323.15039	1.3
353.16016	91.2
354.16431	7.3
371.17075	93.3
372.17447	7.7
413.17789	9.5
413.22607	1.2
414.18301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58258	0.6
55.01885	0.9
57.03444	1.7
58.00607	0.8
59.01378	31.4
60.32307	0.7
69.10354	3.4
71.01383	13.1
73.02944	4.6
83.01373	3.0
85.02951	8.0
86.00105	1.0
87.00883	1.2
89.02451	3.2
95.01392	1.7
97.02924	0.9
99.00896	1.8
101.02444	8.3
108.29595	0.6
111.00868	1.7
112.01672	0.7
113.02437	5.7
115.54437	0.7
118.97733	0.7
119.03507	1.6
122.03726	5.8
125.02430	1.7
135.04517	2.0
136.05289	8.3
143.03474	1.2
143.89201	0.6
151.07664	2.4
159.02959	0.7
161.04567	1.1
165.05576	1.1
177.09166	1.1
191.10847	1.3
194.09523	3.7
209.11821	100.0
209.24559	0.6
210.12166	4.6
251.12907	1.7
251.16483	0.9
279.12381	2.0
302.08176	0.7
323.15115	0.9
353.16037	49.6
354.16354	3.3
371.17065	40.0
371.21881	1.0
372.17352	2.7
413.18045	2.8
413.22510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.23939	0.3
57.03441	1.1
58.00584	0.7
58.81475	0.3
59.01376	100.0
60.01699	0.9
61.98831	2.5
69.03449	1.1
69.49467	1.5
71.01379	37.8
72.99305	0.8
73.02943	74.8
74.03280	0.9
75.00875	0.8
81.03449	0.8
83.01385	15.1
85.02941	7.6
87.00865	1.2
89.02441	14.0
93.28914	0.3
95.01382	2.3
97.02924	0.9
99.00880	1.3
101.02439	48.9
102.02782	0.7
111.00916	0.3
113.02446	20.5
114.02750	0.6
119.03499	6.0
122.03729	0.7
125.02456	2.6
131.03491	4.1
137.02390	0.4
137.06068	1.3
143.03500	3.9
148.08897	1.5
149.04556	3.5
155.03450	1.4
161.04564	8.7
161.05951	0.6
176.08400	6.9
177.08696	0.4
179.05615	1.2
191.10767	19.4
192.11113	0.6
203.05603	0.8
209.11790	2.4
212.64598	0.3
221.06586	0.4
251.16353	0.5
315.25232	0.3
353.16043	7.2
354.16138	0.4
371.12799	0.4
371.17078	7.5
413.17657	1.1
413.22147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96276	0.2
59.01374	6.0
69.67464	0.6
124.01643	0.2
124.88071	0.2
125.02470	0.8
136.01616	0.4
139.04001	0.3
144.75671	0.2
149.02477	0.2
152.01186	0.4
153.01926	6.9
154.02661	1.2
167.03485	1.2
177.05516	0.2
185.67867	0.2
205.08685	0.7
223.09651	0.4
259.99106	0.2
277.14371	0.8
291.19547	0.2
293.17511	0.8
295.58429	0.2
319.19119	15.8
320.19894	100.0
321.20248	8.4
362.20963	6.5
363.21246	0.3
375.25546	0.3
377.23288	44.6
378.23593	4.7
387.25208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Trp Pro Leu
Peak:m/z	Relative Intensity
55.01859	2.4
57.03432	1.3
58.00591	0.8
59.01379	35.7
69.63805	1.9
71.01378	33.4
73.02946	8.4
83.01382	3.6
84.95090	0.8
85.02954	11.8
87.00856	2.1
89.01928	1.1
89.02439	14.3
95.01359	2.6
97.02927	0.9
99.00888	3.3
101.01787	1.2
101.02437	21.1
104.82119	0.6
113.01701	1.1
113.02445	13.6
119.03497	5.9
131.03505	0.6
135.11841	1.0
143.03458	2.3
149.06065	9.0
159.02946	2.3
161.04549	20.1
162.04872	1.0
177.09256	0.9
177.12723	1.4
179.05597	0.9
179.14430	0.8
187.14783	1.7
191.57484	0.6
203.14366	0.7
205.15961	9.0
207.10222	0.6
207.13831	0.8
208.10536	0.7
221.15567	0.6
233.15442	6.8
236.65286	0.6
249.14986	5.0
250.15324	0.6
251.16499	100.0
252.16864	5.3
253.32487	0.6
287.10339	0.7
304.16788	0.6
323.79993	0.8
353.15878	0.6
371.16119	0.8
413.21790	76.8
414.22147	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	413.2182
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
55.01883	2.0
57.03442	2.4
58.00596	1.1
59.01379	70.0
60.01714	0.8
61.98827	2.6
69.03441	0.6
69.28403	2.3
71.01379	43.7
72.99327	1.7
73.02949	9.1
75.00905	0.7
76.01935	0.4
79.96692	0.4
81.03479	0.6
83.01374	4.4
85.02950	13.9
85.03466	0.8
85.06592	0.7
87.00861	2.9
89.02444	23.5
95.01380	2.9
97.02949	0.9
98.21873	0.8
99.00879	2.0
101.02442	29.2
102.02791	0.7
107.05074	0.5
108.02177	3.5
109.02962	1.4
111.04540	1.0
113.02450	15.4
114.02832	0.6
119.03502	9.2
119.04949	0.4
120.76265	0.4
122.03762	1.0
123.04527	2.2
123.08104	0.4
125.02441	1.0
129.01959	0.9
131.03505	1.0
135.04527	1.7
136.05281	0.6
137.02457	4.8
138.03210	0.8
143.03525	1.9
148.08997	2.7
149.04552	0.6
149.06085	5.4
149.09709	1.0
151.03966	2.0
159.03000	2.0
161.02422	1.3
161.04562	13.3
161.05887	0.8
162.22313	0.5
176.04741	0.6
176.08427	9.9
176.09827	0.8
177.09155	2.5
178.10011	1.0
179.05592	1.2
187.14992	0.6
191.10774	19.4
192.08040	0.6
192.11267	1.4
193.08722	1.8
193.12378	2.1
194.09492	2.4
205.15990	3.8
207.10228	4.0
207.13876	0.5
207.17551	1.0
209.11823	47.2
210.12172	2.1
217.08777	0.6
218.09479	3.9
219.10320	1.5
231.10179	0.6
233.11911	3.4
233.15419	6.6
234.15849	0.5
235.13455	1.0
244.11168	0.7
245.11794	0.7
249.14958	2.8
251.12860	2.7
251.16515	58.9
252.16844	4.0
259.13373	1.3
263.12820	0.9
265.44241	0.5
275.12872	0.7
287.12820	0.8
321.13425	1.4
323.15158	0.6
335.14850	1.4
353.16049	23.6
354.16461	1.9
371.17093	33.4
372.17319	2.7
413.21841	100.0
414.22153	9.5
414.27264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13290	0.3
55.01882	1.0
56.96953	0.3
57.03446	0.7
59.01379	100.0
60.01718	0.9
64.09856	0.3
71.01380	9.0
73.02946	3.5
83.01382	1.4
84.55491	0.3
85.02951	4.1
87.00900	0.3
89.02439	1.6
95.01414	0.9
99.00909	1.2
101.02448	7.3
113.02441	4.6
119.03518	0.6
123.04550	0.8
123.08147	0.4
125.02495	0.3
137.09750	0.4
143.03546	0.7
146.36943	0.3
149.09718	0.4
159.03050	0.6
161.04527	3.6
209.15523	1.7
233.11853	0.8
251.12927	1.8
273.42999	0.3
275.49487	0.3
286.47324	0.3
297.89279	0.3
306.94794	0.3
318.34024	0.3
341.04572	0.3
353.19696	2.8
354.20270	0.3
365.65472	0.3
371.20734	12.0
372.21283	1.0
413.22144	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	413.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.8
65.95805	0.4
69.31390	2.3
73.62331	0.5
79.05541	0.8
80.91672	3.4
81.03452	32.5
82.03773	0.5
93.03451	0.4
96.96037	0.5
122.03743	0.8
123.04520	100.0
124.04852	3.5
331.22754	94.1
332.23105	8.8
335.75412	0.5
344.75476	0.5
369.20563	1.5
413.22928	1.3
413.27600	0.9
428.80319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74007	34.4
81.73936	26.3
95.45042	29.2
218.13757	32.2
376.01682	35.5
382.19058	35.2
413.30801	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	413.2696
Annotation	6-keto Testosterone Enanthate
Peak:m/z	Relative Intensity
59.01382	0.3
69.25310	1.1
71.07852	0.2
75.26637	0.2
81.03458	2.3
82.99347	0.2
83.05050	0.3
95.05794	0.2
100.69816	0.2
122.03746	2.8
123.00866	0.2
123.04524	0.6
135.04532	1.9
136.05281	0.4
149.06146	0.3
153.00407	0.3
162.12601	0.2
163.07541	0.2
163.11366	0.3
164.89526	0.8
167.48946	0.3
205.12389	0.6
233.15364	0.3
236.97621	0.4
255.40167	0.2
283.15891	0.3
287.23871	0.3
301.21692	1.3
301.25421	1.1
313.21661	0.3
327.23206	0.7
327.26913	2.1
329.21182	0.3
329.24954	0.7
330.24838	0.3
339.45474	0.3
343.26416	7.5
344.26840	0.7
350.10965	5.3
351.11075	0.7
353.24777	2.5
367.26465	0.5
369.27972	11.7
370.28229	1.2
371.25888	5.9
372.26138	0.7
385.27527	0.3
395.25891	0.5
413.26965	100.0
414.27277	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	413.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99546	9.4
65.32959	8.5
71.46986	8.2
85.00418	8.7
86.59826	9.4
93.31512	9.0
102.48903	8.5
135.72119	7.5
137.06076	10.4
139.63402	8.1
146.31699	7.1
275.89377	12.5
300.17157	11.7
331.22827	22.6
402.33820	8.8
413.09976	100.0
413.26828	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	30.6
69.36372	0.7
69.54203	0.7
69.54525	2.8
82.19569	0.6
91.23824	0.7
96.95995	2.2
97.25629	0.8
101.53556	0.7
108.77638	0.7
125.02428	1.2
134.92302	0.6
137.76952	0.7
153.01913	6.6
154.02641	1.1
165.01921	0.7
167.03502	1.6
167.41560	0.8
169.71368	0.6
171.93974	0.7
177.05833	0.8
182.32008	0.7
206.52376	0.7
254.08151	0.8
277.14490	1.4
293.17749	3.8
319.15387	1.0
319.19104	16.3
320.19894	100.0
321.20303	6.1
362.20862	5.8
377.23273	55.1
378.23599	5.9
413.26947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01380	14.5
61.98829	2.1
69.03454	7.7
71.01384	15.0
73.02952	4.5
77.93648	1.4
79.01891	7.3
83.01385	2.8
85.02965	6.0
89.02441	3.1
95.01432	2.0
96.96011	13.1
97.02972	4.3
97.21179	1.5
99.00896	2.0
101.02439	12.7
103.59435	1.2
105.29966	1.2
107.01389	16.2
108.02173	3.3
113.02462	7.1
121.02946	1.6
122.03760	2.7
124.01666	4.2
125.02443	13.6
129.91841	1.2
135.00880	20.3
138.03120	1.4
151.00371	13.2
151.04001	2.8
159.03033	2.1
161.04518	12.9
163.04068	1.9
166.02705	100.0
167.03479	31.8
177.01929	2.8
191.10748	13.3
207.10277	3.3
209.04463	1.6
227.56038	1.3
235.09743	10.8
253.10812	33.4
311.07541	1.4
339.07135	1.4
371.09799	39.0
415.16238	23.3
415.23270	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	414.127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58678	2.1
61.98820	2.5
63.33867	2.1
69.02731	2.0
69.08052	14.3
94.19133	2.0
96.96007	40.2
99.92581	100.0
100.92614	2.6
100.93346	8.2
115.92036	17.6
116.62589	2.2
116.92860	28.8
118.89979	92.6
119.89971	3.7
119.90749	9.9
134.89471	46.8
135.90256	34.0
174.79884	2.2
278.06247	2.8
333.19809	2.2
342.12964	14.9
360.13983	28.4
374.11774	3.8
378.10651	4.5
378.14990	70.3
379.15073	8.9
396.11456	2.8
400.19125	2.8
414.07574	3.5
414.12704	45.8
415.12622	6.1
419.00900	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	414.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57700	1.3
55.01869	2.6
57.03440	2.7
58.00585	1.9
59.01381	99.1
60.01712	1.5
60.94441	1.2
61.98818	1.6
67.33082	1.3
71.01382	61.2
71.06647	1.6
72.99321	2.0
73.02950	12.5
82.95406	4.5
83.01379	7.8
84.30496	1.3
84.95159	2.5
85.02953	20.9
87.00892	3.3
89.02445	44.3
94.06020	1.5
95.01386	4.5
99.00882	4.3
101.02445	49.5
108.02193	2.2
110.01215	1.2
113.02457	26.3
119.03506	21.6
125.02448	3.9
135.15819	1.6
137.02397	2.7
140.48221	1.4
141.32230	1.5
143.03517	2.7
147.88651	1.3
148.08926	3.0
149.04509	1.8
159.03003	2.9
161.04556	19.8
176.08423	9.8
179.05510	7.4
191.10777	24.5
193.08656	1.8
193.12314	3.1
194.09302	1.9
209.11829	53.6
210.12160	2.8
224.33388	1.4
238.01979	1.4
253.18129	3.5
267.68314	1.3
290.38693	1.5
371.17087	100.0
372.17416	9.9
415.23386	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
64.18872	6.1
66.02979	6.1
70.18249	9.4
71.01372	60.0
73.02948	13.0
75.21564	6.0
83.01388	6.7
85.02956	23.5
89.02437	37.8
101.02428	34.9
113.02462	13.4
119.03484	15.6
161.04582	27.1
175.56612	6.8
179.05586	10.2
191.73671	6.7
209.11812	51.1
253.18095	9.1
324.11505	9.8
363.77231	7.7
415.23694	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15680	7.8
59.01384	58.8
62.79660	6.6
64.80166	6.5
69.37117	34.2
71.01382	53.8
73.02951	14.0
83.01407	11.5
85.02933	20.5
92.74823	7.3
101.02442	34.3
113.02428	20.6
137.02411	12.0
161.04555	24.8
182.45323	7.3
187.60475	7.2
209.11826	100.0
210.12126	20.3
246.80237	8.1
354.16385	29.0
372.17294	25.2
415.23386	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	414.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43457	8.0
59.01370	60.2
69.18849	7.6
70.84853	10.1
71.01382	66.2
73.02959	11.9
85.02946	25.8
89.02426	20.0
90.97103	8.3
95.01397	8.2
101.02448	44.8
113.02428	25.9
119.03487	14.9
122.03738	44.6
137.06078	56.3
154.12512	7.2
161.04527	30.4
209.11847	100.0
220.33731	8.1
257.51541	8.0
394.96231	9.4
415.23392	64.7
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
59.01379	100.0
63.88988	6.2
69.37861	20.4
69.38260	16.1
71.01371	69.8
73.02934	20.9
77.67377	6.0
85.02957	34.4
89.02457	21.5
97.93790	6.8
101.02438	50.5
113.02426	32.3
119.03451	16.3
121.91211	7.0
143.03519	8.4
161.04561	33.8
209.11823	37.9
210.12141	40.6
353.19742	14.4
354.16217	54.4
371.20731	13.8
372.17453	33.4
405.29251	7.8
415.23615	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	414.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
62.69208	5.8
71.01383	57.9
71.43594	7.8
73.02943	23.1
82.14809	6.0
83.01385	10.2
85.02954	30.9
85.71192	6.7
89.02441	20.6
101.02438	49.3
104.41289	5.5
107.58977	6.2
113.02455	30.5
119.03510	14.3
128.28819	5.7
132.09389	6.5
136.44730	5.9
159.02983	6.7
161.04553	26.6
166.66304	5.6
182.16089	5.3
209.11816	38.8
210.12161	42.3
291.81985	6.2
294.27560	7.0
353.15860	7.7
353.19702	11.6
354.16229	45.0
371.20856	12.7
372.17462	36.5
415.23895	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	414.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99143	3.0
61.98829	5.8
69.53590	13.6
77.00676	6.8
86.98526	3.1
117.18600	3.1
123.04508	8.5
137.06104	3.5
149.06102	6.1
273.18610	7.9
333.20648	10.0
333.24362	4.8
337.21701	14.9
360.99960	3.5
371.21500	6.7
371.25876	100.0
372.26428	7.1
414.23270	3.8
415.22012	3.3
415.28412	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	414.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62880	30.0
61.98830	67.5
86.71130	32.3
123.00846	28.4
164.15602	37.2
174.57899	33.3
274.31448	34.8
370.28110	71.2
372.26062	75.4
414.27170	96.6
415.24716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01376	16.4
59.59210	0.5
61.98822	0.6
71.01379	6.9
73.02935	2.1
81.03452	4.7
83.01378	3.3
85.02957	2.9
89.02443	5.8
93.03442	0.8
95.01379	0.8
95.05032	1.2
97.02993	1.0
98.22620	1.1
99.00871	1.4
101.02410	4.5
106.36691	0.6
107.01394	0.9
109.02982	0.8
113.02467	3.0
119.03522	1.2
121.03002	0.7
123.04520	31.9
124.01659	0.8
124.04907	0.8
125.02447	18.4
125.06091	0.8
131.03551	0.7
137.02420	3.5
139.03973	0.9
147.04649	0.5
149.02435	1.6
149.04568	1.9
151.00404	1.0
151.03992	5.7
153.01917	0.6
157.06775	0.6
161.04549	3.0
163.04001	1.4
166.02592	0.6
167.03493	100.0
168.03816	2.5
169.01418	3.9
175.00305	1.0
177.05510	0.6
179.03569	0.9
181.05084	2.6
191.03505	22.2
191.05304	1.1
192.03856	0.7
193.05154	0.6
209.04541	9.9
221.04570	2.7
233.04453	0.7
239.05609	0.8
253.07204	5.1
253.10788	1.9
253.14217	0.7
263.05536	1.7
371.09845	11.5
372.10141	0.9
415.07025	3.3
415.15808	1.2
415.23569	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	415.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
55.60294	0.8
58.75859	0.7
59.01379	8.0
61.98838	1.0
69.35137	4.1
71.01382	3.9
73.02931	1.6
75.00938	0.8
78.81637	0.8
78.91857	1.3
85.02966	1.7
89.02438	1.7
93.75248	0.8
101.02430	1.4
102.82652	0.8
102.86610	0.8
103.05540	1.1
109.02937	1.7
113.02436	1.7
119.05022	1.3
121.12012	0.9
122.03761	3.7
123.04527	48.4
123.08123	1.1
124.04893	1.5
125.02443	1.9
125.06023	1.7
134.03743	1.3
135.04544	1.8
137.02518	1.1
137.06105	4.8
138.03235	1.6
147.04514	2.4
149.02386	1.2
149.06071	2.9
153.05547	2.6
161.04471	1.0
163.03986	1.6
167.03494	100.0
168.03851	2.3
175.03957	0.9
178.02652	0.9
181.05081	11.6
188.95250	0.8
191.03505	23.1
191.07181	1.5
191.10773	2.9
191.70174	0.8
191.78070	0.9
192.03793	1.1
193.05086	4.9
193.08691	27.3
194.05792	1.7
209.04539	11.5
209.11778	3.1
210.12131	2.9
211.06044	1.5
217.05013	2.0
235.06146	3.5
235.09764	1.4
253.07190	2.0
253.10764	12.8
253.14444	3.3
283.66397	0.8
308.88867	1.0
311.07919	1.4
400.00253	0.9
412.24136	0.8
415.16296	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	415.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01376	16.4
59.59210	0.5
61.98822	0.6
71.01379	6.9
73.02935	2.1
81.03452	4.7
83.01378	3.3
85.02957	2.9
89.02443	5.8
93.03442	0.8
95.01379	0.8
95.05032	1.2
97.02993	1.0
98.22620	1.1
99.00871	1.4
101.02410	4.5
106.36691	0.6
107.01394	0.9
109.02982	0.8
113.02467	3.0
119.03522	1.2
121.03002	0.7
123.04520	31.9
124.01659	0.8
124.04907	0.8
125.02447	18.4
125.06091	0.8
131.03551	0.7
137.02420	3.5
139.03973	0.9
147.04649	0.5
149.02435	1.6
149.04568	1.9
151.00404	1.0
151.03992	5.7
153.01917	0.6
157.06775	0.6
161.04549	3.0
163.04001	1.4
166.02592	0.6
167.03493	100.0
168.03816	2.5
169.01418	3.9
175.00305	1.0
177.05510	0.6
179.03569	0.9
181.05084	2.6
191.03505	22.2
191.05304	1.1
192.03856	0.7
193.05154	0.6
209.04541	9.9
221.04570	2.7
233.04453	0.7
239.05609	0.8
253.07204	5.1
253.10788	1.9
253.14217	0.7
263.05536	1.7
371.09845	11.5
372.10141	0.9
415.07025	3.3
415.15808	1.2
415.23569	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	415.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43630	1.5
59.01377	49.3
59.93394	1.4
69.03426	2.0
71.01378	16.3
73.02943	39.0
75.00868	8.5
75.12660	1.5
83.01376	6.8
85.02937	2.7
87.00924	1.7
101.02452	12.6
113.02417	6.3
122.89375	1.7
125.01611	2.7
125.02447	3.2
126.99564	13.9
131.08714	1.7
151.03204	2.5
151.38947	1.4
155.03465	1.9
163.07692	3.1
164.00363	1.6
165.04774	2.2
167.06325	100.0
168.06624	5.0
181.00591	5.7
185.07164	3.7
210.69347	2.1
211.05301	28.6
212.05692	1.9
221.07394	2.9
225.06870	44.5
226.07324	1.6
242.09402	2.4
253.06326	14.5
265.06305	3.3
274.32703	1.9
283.07446	2.1
286.20999	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.66856	0.3
56.24614	0.3
56.75471	0.3
57.03453	0.4
59.01380	11.3
59.28632	0.3
61.28115	0.3
61.98815	0.8
65.00314	0.8
67.01884	1.0
68.99812	0.7
71.01384	8.9
71.44272	0.4
72.99318	0.8
73.02948	2.0
75.00861	0.4
78.01105	1.7
82.00595	1.4
83.01389	2.0
85.02958	3.2
86.00086	1.3
87.00865	1.0
89.02445	4.9
95.01373	0.9
96.99306	0.6
97.02965	0.4
99.00875	1.3
101.02439	5.8
106.00546	0.8
107.01411	1.7
108.02176	4.1
109.02955	4.8
110.00090	1.5
111.00883	8.5
113.02473	3.3
119.03525	1.9
121.02956	2.0
123.00873	1.2
123.04519	1.3
124.01661	50.4
125.02518	5.1
127.00371	3.0
130.55579	0.4
136.98813	5.7
137.02440	0.4
137.09697	0.5
139.00381	8.0
140.01163	11.8
145.06670	0.6
151.00374	0.6
151.04074	0.4
152.01157	4.8
153.01958	2.4
154.99870	1.0
159.02983	0.6
161.04547	3.1
161.05746	0.6
163.07681	0.5
165.01817	0.4
167.03430	0.7
168.00645	19.6
169.01436	5.5
173.06120	0.6
176.04802	0.5
177.05533	0.9
179.05495	0.5
191.07140	2.6
193.05081	0.6
193.08708	3.7
194.05870	0.4
235.06134	2.2
235.13426	1.1
237.07693	3.1
253.07187	3.2
253.10699	2.1
269.07669	0.9
357.08414	0.7
371.13361	0.9
373.14798	0.5
410.41797	0.4
415.12411	100.0
415.23535	3.4
416.12723	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	415.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50829	0.5
59.01376	4.8
70.70020	0.5
71.01374	4.1
71.45049	0.5
73.02925	1.4
75.64178	0.5
76.90215	0.5
81.03445	4.7
82.95405	4.7
83.01381	1.3
85.02950	1.4
89.02445	2.5
96.96000	0.5
99.00871	0.8
101.02435	3.3
106.99934	0.5
108.02200	0.8
109.02937	5.3
110.03736	1.2
113.02428	1.6
115.04024	2.3
117.59725	0.5
119.03480	0.8
120.03995	0.5
122.03731	0.8
123.00903	0.8
123.04514	1.2
124.01649	0.6
125.02461	1.4
129.40445	0.5
137.02429	16.9
137.05237	0.3
137.06068	17.4
138.03214	25.5
138.06422	0.6
151.03949	2.7
152.01099	2.6
152.04701	1.1
153.01958	0.7
153.05583	1.8
161.02466	0.6
161.04526	1.2
164.04805	1.3
167.03468	1.3
174.81412	0.6
175.03986	4.5
176.04770	11.1
177.05501	1.9
177.09203	2.5
191.07124	13.0
192.04243	1.2
193.05054	3.0
194.05821	76.6
195.06131	3.6
198.33688	0.5
209.08130	4.3
211.06177	0.7
220.03745	12.9
235.06104	19.6
235.13373	1.9
236.06334	1.1
238.04811	19.6
239.05199	1.0
253.07144	100.0
254.07503	4.4
261.34338	0.4
277.07321	0.6
378.20340	0.6
397.11105	1.2
415.12335	29.9
415.19513	2.6
416.12656	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29444	0.7
54.57692	0.7
55.01875	1.4
57.03457	2.1
59.01376	100.0
61.98836	1.4
69.03455	1.1
69.27037	4.2
69.27343	1.3
71.01380	18.3
73.02943	7.1
78.95898	3.8
81.03474	1.8
82.95409	1.2
83.01396	4.0
85.02946	9.2
87.00854	1.8
89.02441	10.0
93.03451	1.9
95.01372	1.8
97.02929	1.9
99.00878	2.7
101.02435	18.6
101.06067	1.5
109.02988	1.3
111.00884	1.1
113.02439	8.4
119.03506	2.1
121.02965	1.7
123.00901	1.7
124.01657	4.8
125.02440	53.0
126.02776	1.9
127.32579	0.8
137.02446	6.6
143.03462	0.9
151.03989	14.4
152.99559	5.7
153.99931	1.9
155.00027	2.0
159.03017	1.3
161.04535	10.3
167.03476	3.0
168.00641	5.9
169.01418	65.3
170.01755	1.9
179.05533	0.8
181.01320	1.3
183.13986	0.8
189.07672	3.1
211.02466	1.1
232.10307	1.5
243.12117	0.8
253.10757	1.0
275.50436	0.8
313.05609	2.0
331.06647	1.3
331.53250	0.9
383.13834	1.3
415.12225	39.5
415.24194	9.7
416.12735	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	415.1246
Annotation	Alpinoside
Peak:m/z	Relative Intensity
55.01875	0.7
55.66856	0.3
56.24614	0.3
56.75471	0.3
57.03453	0.4
59.01380	11.3
59.28632	0.3
61.28115	0.3
61.98815	0.8
65.00314	0.8
67.01884	1.0
68.99812	0.7
71.01384	8.9
71.44272	0.4
72.99318	0.8
73.02948	2.0
75.00861	0.4
78.01105	1.7
82.00595	1.4
83.01389	2.0
85.02958	3.2
86.00086	1.3
87.00865	1.0
89.02445	4.9
95.01373	0.9
96.99306	0.6
97.02965	0.4
99.00875	1.3
101.02439	5.8
106.00546	0.8
107.01411	1.7
108.02176	4.1
109.02955	4.8
110.00090	1.5
111.00883	8.5
113.02473	3.3
119.03525	1.9
121.02956	2.0
123.00873	1.2
123.04519	1.3
124.01661	50.4
125.02518	5.1
127.00371	3.0
130.55579	0.4
136.98813	5.7
137.02440	0.4
137.09697	0.5
139.00381	8.0
140.01163	11.8
145.06670	0.6
151.00374	0.6
151.04074	0.4
152.01157	4.8
153.01958	2.4
154.99870	1.0
159.02983	0.6
161.04547	3.1
161.05746	0.6
163.07681	0.5
165.01817	0.4
167.03430	0.7
168.00645	19.6
169.01436	5.5
173.06120	0.6
176.04802	0.5
177.05533	0.9
179.05495	0.5
191.07140	2.6
193.05081	0.6
193.08708	3.7
194.05870	0.4
235.06134	2.2
235.13426	1.1
237.07693	3.1
253.07187	3.2
253.10699	2.1
269.07669	0.9
357.08414	0.7
371.13361	0.9
373.14798	0.5
410.41797	0.4
415.12411	100.0
415.23535	3.4
416.12723	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	415.1607
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01878	1.4
57.03438	1.4
58.00589	0.8
59.01376	84.1
60.01695	0.7
69.20984	1.2
69.21382	3.1
71.01377	55.4
73.02945	18.8
81.03453	0.7
83.01382	1.7
85.02960	7.4
87.00880	1.9
89.02441	100.0
90.02741	1.1
95.01393	2.0
97.02937	1.8
99.00877	30.6
101.02442	40.5
107.05037	0.9
113.02445	12.4
115.04020	0.8
119.03493	7.3
121.58706	0.6
123.04562	0.7
125.02451	5.7
126.00169	0.7
131.03505	17.7
143.03528	2.0
149.04556	59.8
150.04915	1.0
153.96883	0.6
158.57178	0.6
161.04547	5.0
170.33095	0.8
179.05663	3.8
191.05597	14.6
192.06009	0.9
194.05817	2.8
209.08130	1.5
221.06693	2.1
233.06741	0.9
235.13182	0.9
251.07632	4.2
253.14401	6.7
293.08527	0.7
378.54889	0.7
415.07156	0.9
415.15192	7.3
415.20956	3.5
415.24396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12198	0.3
55.01871	1.3
57.03438	1.1
57.08929	0.3
59.01374	9.1
69.03453	1.4
69.68993	1.4
71.01378	14.8
73.02940	5.3
79.01884	0.6
81.03445	0.8
83.01377	2.2
83.05019	0.6
85.02944	7.5
89.02441	1.2
95.01377	1.6
95.05035	1.0
96.02132	0.4
96.62386	0.3
96.96011	1.7
97.02905	2.0
99.00870	1.4
100.87373	0.4
101.02437	11.3
103.16203	0.3
107.01386	1.5
108.02175	7.0
109.02969	0.8
110.14417	0.4
111.08163	0.7
113.02439	7.1
121.02951	4.6
122.03739	6.3
123.00895	0.6
123.04522	3.0
124.01659	13.5
125.02406	1.2
133.02972	0.6
134.03734	2.6
135.00874	3.4
135.04552	1.7
135.08081	0.4
136.01646	0.4
137.02411	1.1
138.03233	2.1
143.03464	1.1
149.02475	0.4
149.09735	0.8
150.03120	0.6
151.00424	0.4
151.04004	2.8
159.03020	2.2
161.04552	14.6
161.09651	0.6
162.05019	0.4
163.07619	0.4
163.11273	1.5
165.05540	0.4
165.09229	1.0
166.02766	1.7
167.03450	4.1
167.10806	0.5
168.03778	0.5
173.09734	0.8
181.12325	0.9
189.09192	1.3
190.09923	0.9
191.10764	34.7
192.11137	1.8
196.09761	0.4
207.10263	9.3
208.10689	0.5
209.11877	0.7
211.09741	1.0
217.08704	2.9
225.11340	2.6
235.09737	23.2
236.10126	1.4
251.09126	0.6
252.10086	2.2
253.10788	100.0
253.17839	2.6
254.11140	5.0
295.11807	1.4
335.86578	0.4
372.10156	1.2
415.16068	35.1
415.23257	9.9
416.16269	3.1
416.24130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76073	0.4
55.01859	0.7
55.48634	0.4
56.11801	0.4
59.01376	14.0
60.01664	0.4
65.54652	0.5
71.01373	10.6
73.02907	1.8
83.01338	0.8
85.02964	3.3
87.00813	0.9
87.42388	0.5
89.02436	6.6
95.01370	0.6
99.00822	0.6
101.02435	7.5
108.22350	0.4
113.02425	4.1
119.03500	4.1
123.04456	1.3
136.05284	0.8
137.02396	1.8
143.03444	0.5
151.03995	4.2
152.04712	0.7
156.02524	0.5
159.02931	0.7
161.04610	3.2
161.05763	0.7
165.05553	6.3
166.06319	1.6
177.09203	4.8
177.87585	0.5
179.05643	1.0
191.07146	0.4
192.07874	1.7
193.08694	0.9
194.09468	9.3
195.09547	0.6
207.10327	0.5
207.69684	0.4
208.35950	0.4
209.11807	0.9
213.71405	0.4
220.07411	4.3
224.80183	0.4
235.09769	10.7
236.10146	0.5
238.08440	91.8
238.70908	0.4
239.08789	4.3
252.16827	1.2
253.10793	100.0
254.11139	5.2
293.80890	0.5
414.22189	0.8
415.16156	26.4
415.23041	9.3
416.16592	2.7
416.22931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01884	1.2
57.03452	1.0
59.01377	100.0
61.98830	0.7
69.03458	1.6
69.17403	3.1
71.01381	24.2
71.05006	0.8
72.99317	1.1
73.02943	58.3
74.03316	0.8
79.47087	0.5
83.01382	13.2
85.02950	3.5
88.02402	0.5
89.02444	7.7
95.01424	1.2
95.08691	0.6
99.00855	0.9
101.02442	35.7
113.02445	7.7
119.03474	2.6
122.36292	0.5
125.02431	2.7
131.03493	2.4
141.27493	0.5
141.92218	0.4
143.03503	3.1
146.28369	0.5
147.11844	0.8
149.04588	2.6
149.13358	9.9
150.13783	0.6
155.03516	1.7
161.04538	7.3
161.05614	0.7
165.01932	0.8
167.10854	0.7
176.86752	0.5
179.05615	0.6
193.12320	28.9
194.12744	1.2
203.05617	0.6
209.15558	0.7
211.17268	0.6
221.06685	1.0
253.14545	1.3
253.17982	0.6
270.90060	0.5
321.23413	0.6
338.44894	0.6
373.22427	3.8
415.19171	6.6
415.24603	1.0
416.20071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.16109	1.0
53.76223	1.0
59.01377	100.0
71.01379	9.0
73.02950	2.8
85.02946	2.7
88.81698	1.1
88.94910	1.0
92.17429	1.1
101.02451	4.5
113.02445	3.7
122.03741	4.5
143.03471	1.3
161.04559	10.6
172.04779	1.1
178.09970	4.3
193.12321	30.8
194.12709	2.5
216.90475	1.2
229.49756	1.4
234.64890	1.2
258.92969	1.2
328.04800	1.3
397.63257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75287	0.4
59.11274	0.4
68.99802	0.9
69.47197	1.1
69.47566	0.8
70.98638	0.4
76.36192	0.4
82.00614	0.4
93.03448	0.5
95.01379	4.1
96.02162	1.1
96.22331	0.4
98.00071	0.7
109.02930	1.6
110.00095	2.2
111.00903	0.5
123.00893	31.6
124.01743	2.3
131.54124	0.5
137.02446	11.1
150.45013	0.5
151.00389	2.0
151.04042	0.5
152.01222	0.6
159.10852	0.4
165.01929	14.4
165.05518	0.5
165.09314	0.5
165.60866	0.4
179.03485	0.5
179.07129	1.5
191.10844	0.7
193.08701	4.5
194.09021	0.4
219.13875	0.8
221.08212	2.1
233.11890	0.4
239.90462	0.4
247.13446	2.7
248.14044	0.4
258.20700	0.4
261.14868	1.5
290.18893	2.1
291.19330	0.5
305.21143	1.5
317.17673	0.6
318.18338	6.0
319.18793	0.7
333.20700	100.0
334.21054	9.0
334.24936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
59.01395	0.5
65.62672	0.4
68.78644	0.3
69.46105	0.6
69.46495	1.0
75.49544	0.3
109.02949	1.5
110.03742	3.3
123.00925	0.4
124.01660	0.5
125.02435	1.7
137.02441	2.1
138.03229	7.8
140.41635	0.4
142.02727	0.8
151.03986	0.8
152.04848	0.4
165.01854	0.6
166.02722	5.1
179.03506	7.6
180.04240	2.1
193.05045	3.8
198.01646	0.5
234.40396	0.4
235.09787	1.2
236.10472	1.7
305.21198	5.9
306.21609	0.5
333.20700	100.0
334.21060	7.9
416.12946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70353	0.4
57.68950	0.4
67.31503	0.4
70.32937	0.9
74.99099	6.1
75.60323	0.4
77.00663	74.2
78.00983	0.7
81.03457	2.9
101.60362	0.4
123.04520	9.0
124.04822	0.5
147.08179	2.0
149.09709	1.4
161.09729	1.0
163.11269	2.3
187.11288	2.6
205.48277	0.4
265.12167	0.5
279.13947	0.9
280.14734	1.1
309.22311	2.7
322.19257	0.5
333.24438	3.7
334.24637	0.6
337.21707	100.0
338.22086	9.4
346.55045	0.4
415.23096	18.9
416.23050	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2333
Annotation	Dendroside A
Peak:m/z	Relative Intensity
55.01873	4.4
57.03434	3.7
58.00573	1.3
59.01380	100.0
60.01729	1.4
67.08958	1.2
69.03477	1.6
71.01381	80.3
71.44875	1.3
72.99316	3.0
73.02950	17.6
83.01387	9.3
84.95200	1.4
85.02948	27.1
87.00886	3.1
89.02442	54.3
95.01376	6.7
97.02908	1.9
99.00896	5.3
101.02442	59.6
111.00886	1.5
113.02455	30.9
119.03503	25.3
125.02442	2.5
131.03491	1.3
137.02440	1.5
137.44250	1.3
137.45268	1.5
143.03511	5.5
159.03017	5.1
161.04556	28.6
177.18419	1.4
179.05608	6.4
210.12332	1.9
238.08510	4.7
253.10857	2.6
253.18124	7.2
372.17355	4.2
382.03778	1.3
415.23404	98.6
416.23749	10.2
428.53516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73132	0.2
55.01876	0.5
57.03452	0.5
59.01377	100.0
60.01709	0.7
69.27143	1.0
71.01381	10.3
72.99327	0.3
73.02945	4.0
75.00914	0.3
83.01379	1.0
85.02951	3.3
87.00872	0.3
89.02440	7.4
95.01398	0.8
99.00887	0.6
101.02443	7.4
107.13086	0.2
113.02448	5.2
119.03503	2.3
125.02448	0.7
127.29337	0.2
137.09698	0.4
143.03540	0.8
149.04518	0.3
159.02959	0.4
161.04543	3.2
163.26772	0.2
165.50529	0.2
179.05647	0.4
211.17061	0.7
253.18251	0.3
355.21194	1.1
373.22324	9.0
374.22672	0.9
415.23315	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	415.2852
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
52.82200	0.6
59.01371	3.0
69.18667	3.8
78.69646	0.6
81.03452	26.1
82.03804	0.7
93.07092	1.0
94.41178	0.6
95.05013	1.6
97.02932	0.6
97.64787	0.6
98.22675	1.2
101.31947	0.6
122.03743	2.0
135.08154	1.5
136.05278	1.0
137.06079	100.0
138.06422	2.8
161.05943	0.9
179.03520	0.6
179.07101	5.3
215.94389	0.7
226.42867	0.7
331.22733	1.0
333.20685	5.2
373.27451	40.5
374.27835	3.4
397.13016	0.7
415.28531	73.4
416.28970	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	416.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	4.1
61.98832	100.0
71.15937	4.1
71.88228	3.9
94.31248	3.5
115.35517	3.3
117.08840	3.2
132.37076	3.4
192.09180	3.3
202.24524	3.3
214.73967	3.3
227.87959	3.2
274.79636	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	416.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98096	3.8
51.66916	4.0
55.01862	7.0
57.03426	7.0
59.01376	100.0
60.01706	4.5
69.16384	27.1
71.01382	81.4
72.01717	6.4
73.02937	30.3
83.01369	10.9
85.02947	33.6
86.03255	4.7
89.02435	23.1
99.00883	4.3
101.02443	79.1
102.02783	7.0
113.02459	32.3
123.13960	4.1
129.54124	4.7
151.03886	4.7
159.03011	7.3
161.04547	34.3
162.04878	6.4
163.16489	3.8
179.07179	10.5
180.07449	5.7
183.18039	4.2
238.08673	5.3
239.08806	12.6
253.10881	7.7
254.11198	20.0
255.12500	6.2
276.46094	4.5
315.89398	4.3
416.23718	33.5
417.20651	19.6
417.25784	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	416.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07099	4.4
57.03435	5.0
59.01378	100.0
60.01684	6.2
69.80908	16.9
71.01381	74.7
72.01720	8.5
73.02951	18.9
83.01410	7.0
85.02946	22.5
87.00890	9.4
88.35254	5.3
89.02456	18.0
90.48267	5.4
101.02419	44.8
102.02814	6.7
109.33857	5.7
113.02440	21.8
119.03518	19.7
123.04507	5.4
138.03242	19.5
151.03917	8.1
152.04538	4.8
161.04613	25.0
209.11906	10.3
232.48592	5.2
241.19719	5.2
252.13174	9.7
253.10843	10.7
253.14363	34.2
254.11093	11.9
254.14809	88.3
345.78339	6.0
399.20251	13.0
416.19772	22.5
416.23923	19.9
417.12015	6.6
417.20898	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	416.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36785	5.3
59.01379	100.0
60.75977	5.1
61.98819	24.6
64.95592	5.4
65.81275	5.8
69.33192	26.7
71.01373	37.1
72.66367	5.8
73.02943	11.4
83.01389	8.3
85.02968	13.7
89.02430	23.1
101.02445	21.8
112.68374	5.1
113.02435	12.5
116.39970	6.6
119.03505	5.9
161.04570	13.9
191.03494	10.5
233.04617	6.2
249.14696	5.5
331.17566	13.4
372.73358	5.3
416.23782	24.7
417.25323	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	416.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79829	3.1
57.03429	3.3
59.01374	88.4
61.98817	8.3
69.19317	18.5
71.01012	4.4
71.01382	62.5
72.01706	6.6
73.02946	22.1
74.03251	4.4
75.00890	3.3
83.01383	8.0
85.02964	24.7
87.00874	4.9
89.02441	32.1
91.33859	3.8
93.03522	3.1
95.01401	4.2
97.03043	3.5
99.00848	5.4
101.02442	38.1
102.02818	7.5
108.02151	4.3
113.02480	21.8
114.02792	6.7
119.03487	14.0
122.02483	3.6
122.03716	5.3
123.04424	3.7
124.05322	17.8
125.02388	3.6
125.05617	9.0
137.06024	6.1
147.04489	9.6
149.06105	4.5
161.04643	17.3
161.05879	4.5
162.04898	6.2
189.05540	5.5
191.03497	72.0
193.04993	15.5
205.05002	5.6
210.12093	3.7
215.53191	3.5
220.95010	3.3
221.04497	4.3
225.78119	3.4
233.04506	39.8
293.06601	4.6
339.08698	40.1
340.94257	3.7
351.61752	3.4
378.96378	3.6
416.09732	4.5
416.23737	100.0
417.11591	6.4
417.20728	10.6
417.25055	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	416.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.20728	20.3
69.21133	46.8
71.01384	59.0
73.02932	13.2
85.00372	10.2
85.02942	27.4
86.03319	9.9
89.02453	16.5
101.02438	33.4
113.02407	12.2
125.37834	10.8
161.04538	15.6
198.31920	9.5
206.10721	10.6
209.11906	12.0
339.40552	11.8
374.17804	13.5
416.23630	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	416.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
69.34249	53.3
71.01384	39.5
85.02940	12.5
87.81929	11.5
89.02482	14.1
89.03005	11.1
98.21887	19.6
99.71714	10.0
101.02464	35.6
113.02452	18.8
150.74214	11.8
161.04550	23.5
193.08713	15.8
194.09123	13.7
272.50269	11.3
323.45465	11.0
388.88687	11.3
416.24054	27.7
416.30328	11.7
417.10544	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	1.1
71.45255	0.7
81.03463	8.7
83.01386	1.2
99.95833	0.8
100.35673	0.7
122.03767	1.9
125.02444	2.6
151.00385	1.8
157.25444	0.9
165.01929	1.2
172.29823	0.9
199.42326	0.8
275.23770	2.9
277.21741	4.8
289.47925	0.7
290.22153	1.3
317.21298	0.9
317.24814	17.1
318.21603	2.3
318.25076	1.1
334.20837	1.6
361.23816	100.0
362.24158	9.6
417.11185	1.0
417.22220	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	416.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10469	3.3
60.84297	3.3
66.84718	3.3
69.99342	8.8
78.03867	3.5
81.03451	7.9
84.00912	100.0
108.03999	3.3
119.21953	3.4
123.04527	20.7
124.04848	5.9
305.81830	4.2
311.71561	3.5
317.64404	3.5
331.22751	18.3
332.23132	10.0
334.23569	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	416.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41219	1.1
53.71259	1.0
54.20674	1.1
65.49483	1.2
65.52254	1.1
69.20287	2.8
69.20692	4.4
81.03457	21.1
84.87428	1.0
95.05034	1.5
99.79568	1.2
137.06081	95.6
138.06400	1.9
144.02289	1.2
203.91443	1.1
239.56258	1.3
372.22598	4.0
373.27463	100.0
374.27841	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	416.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32475	24.5
120.23218	25.2
189.89925	24.7
331.26419	99.7
348.47433	28.1
373.27356	100.0
406.75815	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	416.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	11.1
83.27306	7.8
99.92601	10.8
162.83865	10.0
173.79541	8.4
231.50755	8.5
273.18521	15.2
355.26468	8.8
373.27432	100.0
374.27576	9.7
375.25192	10.1
416.25366	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	416.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97407	0.7
59.01361	2.6
103.99435	0.6
109.02942	5.0
110.03707	1.5
115.64211	0.7
122.03729	23.6
124.01650	3.1
137.02437	11.4
137.06079	26.7
137.07138	1.3
138.03210	6.4
138.06448	1.6
151.04015	3.2
151.28941	0.7
165.01938	1.2
193.08762	0.9
235.13332	0.7
289.18030	1.6
293.51859	0.7
303.19553	1.0
315.23154	0.9
331.22702	1.3
332.23541	100.0
333.24326	26.3
334.21075	2.2
334.94824	0.8
347.22281	1.4
373.27451	46.5
374.24164	2.5
374.28476	4.6
375.25351	2.9
376.78915	0.7
417.26419	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63794	3.8
55.85274	4.8
59.01364	7.1
66.07194	4.1
69.71509	4.4
75.53698	4.3
123.00875	18.4
124.01168	5.4
137.02403	6.5
142.56976	4.6
147.36336	4.2
150.03253	4.7
160.84242	6.2
165.01981	6.0
166.02261	5.1
171.14371	4.1
319.19116	6.6
333.20541	10.4
334.21057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29823	1.6
59.64906	1.7
61.98865	1.8
70.14789	1.8
98.22623	5.8
123.00877	29.1
124.01205	10.5
137.02428	10.0
137.64037	2.1
138.02750	4.4
151.00386	3.4
163.07605	7.5
165.01910	14.4
166.02271	5.8
194.08937	2.0
319.18585	6.3
333.20840	9.1
334.21054	100.0
335.21283	5.0
417.30078	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	417.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
60.99305	13.9
69.08970	1.6
69.09380	7.3
69.82283	1.3
71.01377	5.2
72.97530	3.0
75.00882	3.4
85.02965	2.1
88.98807	100.0
89.02453	8.1
91.01917	1.5
99.00868	2.5
104.42423	1.4
108.02179	8.7
109.02957	3.8
113.02450	3.6
123.04514	11.0
132.39218	1.3
152.01138	13.2
153.01955	2.1
167.03487	17.0
192.00671	7.2
192.02126	1.6
193.01259	1.5
207.03023	3.5
228.07498	1.5
234.01772	2.5
247.81876	1.6
249.06245	7.3
267.07172	2.4
327.07254	7.4
385.36740	1.3
397.85876	1.3
417.10324	42.9
417.15811	2.3
418.10526	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	417.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.9
59.36551	1.1
59.78767	1.2
60.99305	14.9
66.53136	1.2
67.22322	1.2
69.83590	3.7
71.01400	1.6
71.48804	1.1
78.04453	1.3
88.75835	1.2
88.98805	100.0
89.02438	10.8
93.90152	1.1
101.02499	1.6
105.32458	1.2
108.02187	6.7
109.02964	5.2
113.02438	1.6
124.01683	1.5
125.02439	7.4
137.02460	1.8
148.90976	5.8
149.99643	3.0
152.01135	11.0
153.01917	2.9
167.03471	2.2
168.00655	6.8
169.01427	5.2
177.28983	1.1
182.15601	1.1
192.00638	13.9
193.01271	3.5
193.08617	1.9
194.02220	2.4
195.06618	1.9
207.03017	6.1
234.01688	3.9
251.92728	1.3
255.08755	2.8
312.04828	3.0
312.91931	1.6
327.07184	12.8
331.06738	4.5
338.93506	2.5
369.45084	1.3
373.07733	5.1
416.96878	14.2
417.10159	21.2
418.10547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
62.73953	0.5
63.42138	0.5
70.84316	0.6
71.01376	2.4
73.02934	0.8
92.43990	0.6
99.00875	0.7
102.71033	0.6
107.95141	0.5
108.02172	51.5
109.02964	25.6
110.03238	0.7
110.27824	0.5
111.08133	0.5
151.04010	2.4
152.01151	88.7
153.01541	3.0
163.04007	2.0
200.74751	0.6
241.07137	4.1
285.06155	0.8
311.98587	0.6
358.12784	0.5
417.10355	100.0
418.10751	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	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18749	0.5
52.29740	0.5
59.01371	1.8
59.32629	0.5
66.11237	0.4
69.67005	1.1
69.67367	0.9
71.01380	2.5
73.02933	1.4
75.00878	0.8
85.02950	0.5
89.02455	1.5
89.54458	0.5
95.01428	0.6
98.21843	0.9
99.00844	0.8
101.02504	0.6
108.02172	54.4
109.02958	28.6
110.03316	0.8
123.04486	0.5
126.33897	0.5
134.24466	0.4
135.04639	0.6
139.69035	0.6
151.03984	3.4
152.01147	100.0
153.01883	5.2
163.03954	2.5
177.01845	0.6
215.06274	0.5
216.31247	0.5
230.89806	0.5
241.07150	3.5
272.17886	0.5
285.06174	1.7
350.51831	0.5
417.10361	96.7
418.10638	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	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75295	0.6
59.01375	1.3
63.22382	0.5
69.64606	0.6
69.64957	2.5
70.78493	0.6
71.01384	2.1
73.02943	0.9
89.02477	1.3
95.01377	0.6
104.36462	0.6
108.02172	55.3
109.02957	26.2
110.03277	0.8
117.95199	0.6
151.04013	2.0
152.01147	100.0
153.01649	3.3
163.03995	2.2
197.79227	0.6
220.36905	0.7
238.17953	0.6
241.07179	4.0
285.06168	1.2
417.10373	88.7
418.10611	6.9
427.23758	0.8
443.65793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74409	0.8
59.01366	2.8
60.99297	1.2
69.26942	3.2
71.01386	3.9
73.02942	0.8
79.31429	0.6
81.03429	0.9
88.98813	7.4
89.02427	2.2
90.63778	0.6
108.01583	0.7
108.02174	31.1
109.02954	71.6
110.03275	1.5
120.27832	0.7
123.00871	2.7
123.04510	0.9
151.04024	2.7
152.01154	58.0
153.01952	30.8
179.03494	1.5
192.00612	1.2
192.70383	0.7
223.06114	1.7
249.98198	0.7
267.05106	2.3
285.06165	14.7
327.07288	1.2
417.10364	100.0
418.10788	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	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.8
59.01378	25.4
61.98817	4.1
65.00302	2.0
67.01884	1.4
68.99799	1.8
69.03453	2.5
69.30048	3.7
71.01377	20.4
72.99309	5.7
73.02950	2.4
75.00877	13.4
81.03439	1.9
83.01380	2.0
85.02945	20.3
86.64794	1.3
87.00872	7.6
88.98795	7.2
89.02444	6.9
91.01886	8.1
91.29188	0.9
93.03479	1.6
95.01382	4.9
96.95982	2.4
99.00890	10.9
101.02418	4.0
103.00368	1.5
103.04015	1.4
107.01370	1.5
108.02171	8.9
109.02959	7.8
111.00871	3.4
113.02444	19.1
115.00350	1.2
117.01946	3.0
119.03528	1.7
122.03758	1.5
123.04523	36.6
125.02422	6.6
129.01917	2.4
130.74498	0.9
139.00342	1.8
151.00294	3.5
152.01147	7.3
153.01930	12.5
157.01414	1.1
167.03490	69.5
168.00600	1.1
168.03781	2.1
169.01422	4.0
175.02438	2.5
195.06606	1.5
205.01224	1.4
209.83653	1.1
210.70386	1.0
226.04791	3.1
227.05504	4.8
231.04996	4.9
240.06389	5.2
241.07191	5.7
249.06140	42.6
250.06407	1.2
255.05067	2.8
255.08672	7.2
265.09207	1.5
265.41971	1.3
267.07196	17.0
355.10382	1.9
357.08069	2.3
379.15958	4.3
380.16437	1.1
385.07480	2.0
399.09271	9.4
417.10239	100.0
418.10574	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	417.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.16490	4.3
61.98827	9.7
66.69255	4.6
70.64375	8.4
71.01382	52.2
73.02929	8.9
74.82679	4.2
74.99067	4.0
83.01376	8.3
85.02950	14.7
88.29011	4.1
89.02438	32.0
93.20923	4.4
96.95987	5.2
99.00901	5.0
101.02418	33.3
103.82581	4.5
113.02489	12.4
115.78541	6.1
116.46501	4.5
119.03489	10.3
126.96173	4.4
161.04514	17.9
175.58748	4.6
206.12657	6.5
213.21718	4.6
226.02911	5.1
255.19368	5.4
263.50162	5.4
417.24844	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Oleoside dimethyl ester
Peak:m/z	Relative Intensity
50.86010	0.5
52.51808	0.4
56.76086	0.4
57.03447	1.4
59.01376	5.0
61.53473	0.4
62.13329	0.4
66.61740	0.4
69.16959	0.8
69.17355	2.3
71.01385	3.5
72.99323	0.6
73.02940	0.9
85.02952	1.5
89.02469	1.6
91.02773	0.5
95.01359	0.6
96.96027	0.7
101.02444	23.2
102.02808	0.7
108.02168	1.7
109.02964	1.4
110.03748	0.8
111.00815	0.7
113.02451	1.6
119.03563	0.5
121.02954	1.5
123.00909	0.6
123.04597	0.7
124.01669	1.6
125.02447	0.9
137.02438	17.7
138.03229	50.7
139.00363	3.7
139.03600	1.4
150.03105	0.5
151.03954	0.6
151.07626	1.0
152.01131	3.9
153.01949	2.1
153.05563	8.8
161.04567	2.4
161.05920	0.8
167.03529	0.7
177.05530	2.4
178.06349	54.4
179.07106	8.0
180.04257	2.4
181.04913	0.5
183.82042	0.5
193.01454	0.5
193.08685	20.7
194.05899	0.8
194.09073	1.0
195.06618	1.2
196.07405	10.4
197.07629	0.5
198.88663	0.5
211.09691	0.7
219.06793	0.5
222.05331	4.4
223.06108	7.0
225.04045	1.8
236.73102	0.5
237.07660	18.5
238.07938	0.9
239.05580	10.8
240.06378	30.8
241.06802	1.4
253.07239	1.2
255.08728	100.0
256.09070	5.3
315.10962	0.7
325.41605	0.5
357.15564	0.7
399.13025	3.1
402.11746	2.9
417.13965	50.7
418.08771	0.7
418.14282	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	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.3
60.30808	0.6
61.03032	0.6
61.98797	0.9
64.68028	0.6
68.90560	0.6
69.72291	0.8
69.72607	1.3
71.01385	4.2
73.02948	0.6
73.94166	0.7
79.63655	0.6
82.12897	0.6
85.02933	2.2
85.45683	0.6
89.02416	2.2
95.01381	0.8
96.96001	4.4
101.02451	4.0
110.60783	0.6
111.19768	0.6
112.30972	0.7
113.02423	2.6
119.03513	0.8
119.05007	1.8
121.02927	1.1
123.00880	0.9
123.04508	1.7
125.02436	1.1
136.89958	0.6
137.02394	1.3
138.03212	2.0
147.04573	0.8
149.02426	9.0
149.06067	0.9
151.03999	1.5
152.01115	1.1
153.01956	1.8
153.05563	0.8
161.04567	2.5
164.04820	7.7
165.01904	1.5
165.05441	0.8
166.02711	67.9
167.03069	2.5
179.07118	7.5
181.05052	10.8
193.01495	1.1
195.06575	1.9
225.04041	98.9
226.04369	4.8
240.06387	74.8
241.06671	2.7
255.08734	100.0
256.09036	5.0
337.20078	0.6
357.15427	2.2
381.17545	3.5
417.14130	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	417.1401
Annotation	Oleoside dimethyl ester
Peak:m/z	Relative Intensity
55.79525	1.1
57.03444	1.9
59.01377	39.5
61.98820	1.7
66.92930	1.2
71.01382	14.6
71.44344	1.2
73.02948	2.0
75.00864	5.5
83.01370	2.0
85.02935	5.6
89.02441	12.8
94.02836	1.3
95.01382	2.0
99.00870	1.8
101.02431	10.3
108.02172	5.4
109.02951	3.9
109.06572	2.1
111.00860	2.1
111.08136	1.5
113.02427	5.4
113.62067	1.2
118.06783	1.1
119.03482	4.6
121.02972	1.3
123.04537	8.1
124.01667	6.5
124.98808	9.6
125.02437	5.2
126.90440	2.1
133.06656	1.4
137.02454	6.7
137.06062	4.6
138.03244	11.9
139.00365	9.2
143.03490	1.3
149.06050	4.6
150.03181	1.8
151.04059	1.4
152.01152	12.6
152.04356	1.1
153.01924	2.9
159.04428	1.4
161.04585	4.1
161.05992	2.6
163.03967	2.5
164.04869	2.1
167.03464	9.7
167.07100	2.1
177.05574	27.6
178.06192	2.8
179.07123	75.2
180.04230	1.4
180.07451	4.2
193.08656	2.4
193.12347	4.9
195.06650	6.6
195.10258	23.2
196.42799	1.1
209.08345	2.5
209.11809	16.6
209.31543	1.1
210.12154	1.3
211.06046	2.2
222.05391	1.3
223.06105	63.0
223.72925	1.1
224.06470	3.1
237.07663	2.6
237.11342	6.0
238.86375	1.1
239.05600	100.0
240.06335	13.5
249.06143	3.4
253.07121	1.2
254.07928	2.4
255.06165	2.5
255.08720	39.0
255.11423	2.1
256.09067	2.7
288.76041	1.4
357.13760	5.6
373.18451	2.2
402.11615	28.9
403.11871	2.2
417.09872	10.3
417.13821	24.5
417.17868	12.9
418.14056	2.8
418.18723	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	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
57.03434	3.8
59.01380	60.8
61.82253	1.9
67.01862	2.0
69.03449	1.8
69.63165	3.2
69.63556	3.7
71.01379	48.5
72.99297	4.8
73.02937	6.7
75.00876	12.8
81.03439	2.3
83.01369	4.4
85.02952	24.7
87.00866	6.9
88.98808	5.3
89.02438	35.3
91.01907	2.1
91.92945	1.5
95.01374	5.9
96.95989	1.6
98.22594	1.8
99.00877	11.8
101.02444	20.0
107.75062	1.7
108.02166	13.5
109.02922	6.0
111.00861	2.9
111.04516	2.2
113.02443	25.1
114.05445	1.7
116.16413	1.5
117.01952	2.7
119.03493	8.9
121.02928	2.8
122.03733	1.7
123.00865	1.7
123.04523	46.7
124.01663	4.1
125.02493	2.4
131.03499	13.9
137.02353	1.9
137.06073	3.0
138.03217	7.5
139.04008	53.5
149.04541	17.8
149.05766	2.2
149.05984	1.8
151.04018	31.0
152.01144	18.0
152.04800	8.9
153.01917	3.2
159.85539	1.6
163.07661	1.7
164.04797	8.0
165.05553	6.9
165.09242	1.7
167.03500	79.9
168.03793	2.2
175.02493	2.4
175.07652	6.4
177.05640	9.2
178.06380	3.5
179.07123	5.8
191.05591	14.8
191.07127	3.2
192.07832	2.3
193.05006	3.9
193.08691	68.2
194.05827	6.9
194.08936	3.9
195.06619	51.7
196.07047	2.3
199.82178	1.7
219.06554	2.3
220.78539	1.7
223.06128	3.3
227.05591	5.6
233.06651	28.4
236.06851	3.4
237.07706	16.9
241.07167	5.0
249.06133	32.1
250.06265	2.0
254.07974	4.3
255.05112	5.0
255.08736	74.4
256.09131	3.3
267.07181	4.5
293.08905	2.6
311.09854	2.2
341.08524	1.6
357.08002	2.2
357.12000	3.8
399.08768	3.5
399.13336	3.9
417.10257	100.0
417.14346	43.3
418.10742	6.2
418.14941	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	417.1402
Annotation	Oleoside dimethyl ester
Peak:m/z	Relative Intensity
55.01883	0.7
57.03442	1.1
59.01377	17.9
61.98824	0.9
71.01382	7.7
72.01674	0.6
73.02950	1.4
75.00897	0.6
78.65241	0.6
82.77144	0.5
83.01389	0.9
85.02953	3.9
89.02438	5.6
93.03460	1.7
95.01390	0.7
95.05022	0.9
99.00893	1.2
101.02444	5.3
107.05034	7.0
109.02930	0.8
111.00867	6.0
113.02452	3.5
118.98096	1.2
119.03484	2.5
121.02961	2.2
123.04462	0.9
124.01704	0.8
125.02417	5.0
133.02950	3.8
135.04581	0.8
137.02423	3.8
138.03233	5.7
139.00378	7.5
139.04030	0.6
148.01624	2.1
149.02420	4.2
149.06081	18.6
150.03203	0.8
150.06415	0.6
151.00372	1.4
151.03984	0.8
151.07603	0.8
152.01126	0.8
153.01939	27.8
154.02562	1.0
159.02968	0.7
161.02448	0.7
161.04553	1.6
163.04008	0.8
166.02701	2.6
167.03462	1.4
167.07069	0.9
176.04889	0.8
177.01926	49.2
177.05507	1.9
178.02286	1.1
178.06325	1.9
179.03583	2.9
179.07118	23.2
180.07484	1.2
181.05064	5.5
191.01743	0.7
191.03487	0.7
195.06635	1.1
196.07387	8.8
197.07649	0.7
197.98283	0.6
205.05023	1.2
211.06126	2.2
219.02979	1.2
222.05302	3.8
223.06105	7.1
227.03474	0.8
237.07672	6.3
237.14984	2.6
239.05585	11.9
240.06381	100.0
241.06755	4.8
255.08458	72.4
255.15836	1.3
256.08777	4.5
284.03229	0.9
305.07065	0.7
378.41287	0.8
385.18948	0.8
402.12982	0.8
417.08853	2.4
417.14041	61.3
417.21173	15.4
418.14432	5.2
418.21014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03436	1.5
59.01378	27.1
59.99470	0.6
61.98810	1.7
64.62393	0.5
69.96673	0.5
71.01006	1.1
71.01379	15.1
72.99308	1.1
73.02935	3.8
73.04438	0.6
74.99081	0.7
83.01374	1.6
85.02946	5.0
87.00869	1.1
89.02448	9.0
93.03458	4.1
95.01391	1.8
97.06561	0.9
98.21758	1.4
99.00869	2.1
101.02447	9.8
107.05020	17.4
108.05354	0.6
109.02956	1.3
111.00872	5.9
113.02464	6.0
115.03949	0.7
115.06618	0.7
118.98091	2.3
119.03507	5.1
121.02956	3.1
123.04503	1.4
125.02449	5.7
133.02948	8.0
135.04547	1.7
136.01659	1.9
137.02431	5.4
138.03227	4.9
139.00363	6.8
139.03960	0.8
143.03493	1.1
147.04529	1.0
147.77414	0.7
148.01653	2.4
149.02448	8.3
149.06075	51.0
150.03238	1.1
150.06416	2.3
151.00392	2.1
151.04001	1.4
151.07594	0.7
152.01096	1.2
153.01936	26.6
154.02550	1.5
161.04572	2.9
166.02711	5.5
167.03476	2.4
174.36072	0.6
175.04005	0.7
177.01924	65.0
177.05327	1.2
178.02267	1.8
178.06345	3.1
179.03539	6.1
179.05666	1.1
179.07112	22.6
180.07460	1.3
181.05057	9.8
195.06580	1.1
196.07381	7.0
211.06128	2.3
219.03024	1.2
222.05341	4.4
223.06128	6.7
227.03429	0.7
237.07639	4.9
237.14914	3.2
239.05597	13.8
240.06380	100.0
241.06757	4.2
255.03082	1.8
255.08653	52.1
255.10490	32.9
255.15994	2.6
256.08752	2.0
256.10788	2.5
284.03329	1.1
285.03879	0.8
305.06943	0.6
324.45029	0.7
385.09616	0.7
385.18845	0.8
387.10822	1.8
399.20462	0.9
402.13147	1.6
417.08383	3.1
417.14063	52.2
417.21207	17.7
418.14447	4.4
418.21460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27686	0.8
55.26097	0.8
56.37840	0.7
57.46206	0.8
69.20678	4.5
70.49922	0.7
71.18044	0.7
97.02946	1.6
99.92581	100.0
100.92593	4.4
100.93359	8.9
109.02953	2.4
109.06602	1.1
115.84748	0.8
115.92071	17.8
116.92137	1.2
116.92856	6.2
123.00874	5.2
123.04531	2.3
124.35550	0.8
137.02443	6.0
149.02449	1.3
151.03996	2.0
153.05539	3.7
172.65315	0.8
177.97183	1.1
191.95142	1.2
193.96843	1.7
204.96066	1.0
207.94688	16.3
217.96829	0.8
221.96240	10.2
222.97072	4.0
234.97055	1.4
235.94273	1.9
235.97762	2.4
257.92438	0.8
292.04092	0.8
301.05176	1.1
303.23300	1.6
304.23773	0.8
313.21774	0.8
315.27042	0.9
320.07312	0.8
331.22861	1.8
333.20621	1.3
334.05350	0.8
356.10971	1.1
370.12509	1.8
373.24069	1.0
379.13516	1.3
381.15378	1.2
397.14761	2.2
399.16263	5.6
399.28986	1.4
409.11041	1.5
410.11560	0.8
411.12573	4.6
413.14258	6.7
417.17365	62.6
417.30020	11.7
418.17520	10.8
418.30310	1.1
427.11890	1.4
429.13791	1.2
431.15143	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66494	0.6
53.25905	0.6
53.32683	0.5
55.01875	1.1
57.03445	1.7
59.01377	100.0
60.01716	1.1
71.01379	33.3
73.02956	4.6
83.01395	1.8
85.02938	8.8
87.00904	2.5
88.98824	0.8
89.02441	28.5
95.01404	2.1
97.03058	0.9
98.22608	1.7
99.00873	1.7
101.02438	21.7
108.02177	1.6
109.02948	0.7
113.02443	13.7
119.03500	13.6
123.00885	0.7
124.01698	0.7
125.02438	1.4
131.03525	2.1
133.10258	0.8
137.02480	0.9
143.03479	3.7
149.02469	0.9
149.04581	1.1
152.01187	2.1
159.03030	2.0
161.04549	28.8
162.04871	0.8
166.02707	4.0
177.09186	4.7
178.06395	2.2
179.05583	7.7
179.06979	1.0
180.05917	0.8
193.01436	2.2
195.10326	2.0
225.04095	5.4
226.04456	0.7
239.05753	1.2
240.06360	6.8
255.08719	7.2
357.15506	33.6
358.16055	2.5
378.03467	0.7
417.10214	1.6
417.12421	0.4
417.17230	4.2
417.25241	1.8
418.07864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66494	0.6
53.25905	0.6
53.32683	0.5
55.01875	1.1
57.03445	1.7
59.01377	100.0
60.01716	1.1
71.01379	33.3
73.02956	4.6
83.01395	1.8
85.02938	8.8
87.00904	2.5
88.98824	0.8
89.02441	28.5
95.01404	2.1
97.03058	0.9
98.22608	1.7
99.00873	1.7
101.02438	21.7
108.02177	1.6
109.02948	0.7
113.02443	13.7
119.03500	13.6
123.00885	0.7
124.01698	0.7
125.02438	1.4
131.03525	2.1
133.10258	0.8
137.02480	0.9
143.03479	3.7
149.02469	0.9
149.04581	1.1
152.01187	2.1
159.03030	2.0
161.04549	28.8
162.04871	0.8
166.02707	4.0
177.09186	4.7
178.06395	2.2
179.05583	7.7
179.06979	1.0
180.05917	0.8
193.01436	2.2
195.10326	2.0
225.04095	5.4
226.04456	0.7
239.05753	1.2
240.06360	6.8
255.08719	7.2
357.15506	33.6
358.16055	2.5
378.03467	0.7
417.10214	1.6
417.12421	0.4
417.17230	4.2
417.25241	1.8
418.07864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62038	1.0
59.01378	100.0
70.45881	2.4
71.01373	1.7
83.05013	1.7
94.95713	1.1
101.96501	1.0
102.36272	1.1
108.41456	1.1
111.08171	7.2
121.04620	1.1
124.04039	1.3
125.09731	5.2
166.02744	1.9
173.08194	5.6
181.05054	2.3
187.09737	5.9
210.41048	1.1
289.44193	1.5
307.69794	1.4
375.46768	1.2
417.21249	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	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.43500	0.4
60.01707	1.5
61.98820	0.4
69.35809	0.3
69.52442	2.1
71.01392	0.4
87.61092	0.5
95.00527	0.4
98.22556	0.6
149.14645	0.4
312.77817	0.4
328.61011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.6
65.00315	2.2
69.82475	1.7
69.82842	1.6
73.85020	0.7
76.86942	0.7
81.03443	10.5
83.01377	8.8
95.05036	1.1
107.01387	2.9
116.47809	0.8
121.02952	1.2
123.04518	45.8
124.04868	1.2
125.02441	98.5
126.02780	2.2
132.13272	0.8
149.02435	3.2
151.00365	7.1
160.86272	0.8
167.03490	100.0
168.03812	3.9
191.03416	1.0
193.01399	45.3
194.01775	1.1
223.20581	2.1
247.20708	1.1
291.19516	4.9
293.17554	2.8
294.17920	0.9
304.25433	0.7
364.82153	0.9
379.70602	0.7
381.07727	1.1
399.21896	1.8
417.22723	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	417.2644
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
70.10276	1.7
70.10641	1.9
99.92587	14.6
100.93317	1.6
123.00886	1.3
124.01645	1.0
137.02446	1.7
149.02448	7.1
152.01161	1.3
163.04024	5.7
177.01921	1.7
177.05602	1.8
178.06340	1.8
182.05629	0.8
206.05794	1.7
207.94556	1.0
219.06601	2.9
224.02513	0.8
233.08200	2.0
235.45836	0.8
241.53976	0.8
247.09636	0.9
266.02844	0.8
283.24316	2.7
319.19098	6.3
345.20609	3.4
345.24298	3.7
354.82819	0.8
355.22577	2.2
373.23825	82.7
374.24203	8.4
399.16293	1.0
413.14407	1.1
417.17960	15.5
417.26413	100.0
418.17520	2.3
418.26825	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	417.2643
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
50.82313	2.5
57.37579	2.7
59.91932	2.5
92.48714	2.7
99.90146	2.4
109.02956	12.2
110.03739	3.6
124.01685	4.9
137.02446	23.3
138.03198	8.3
151.03998	6.6
193.08784	2.7
289.18481	3.2
332.23526	100.0
333.24234	30.0
344.37213	2.6
345.36157	2.7
375.25427	3.1
403.51135	3.0
417.26468	90.7
418.26813	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	417.3009
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
59.01074	2.2
59.01373	39.6
67.71281	1.1
69.64210	2.5
69.64600	1.9
81.03452	20.3
95.04987	1.4
98.21867	1.1
103.85236	1.1
136.05302	4.2
137.06076	100.0
138.06422	2.0
170.06171	1.1
179.07130	49.6
180.07509	1.8
217.97430	1.2
223.64447	1.3
303.57925	1.3
323.11655	1.4
333.20679	3.2
375.28989	8.3
379.15305	1.1
417.30124	82.1
418.30356	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	418.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36598	0.4
59.01377	28.1
60.01709	0.8
61.98827	100.0
71.01382	3.3
72.01699	0.6
73.02949	1.5
83.01373	0.6
85.02980	1.6
89.02426	2.4
96.96038	1.0
98.21853	0.7
101.02453	3.2
113.02455	1.5
134.74574	0.4
141.75378	0.4
142.96376	0.5
143.03532	0.5
150.04726	0.5
161.04498	2.4
162.04945	0.5
269.10306	2.8
270.59448	0.5
311.11481	1.4
418.25702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	63.6
71.01392	2.9
73.02964	2.0
75.79998	1.1
85.02953	2.3
87.00886	1.5
101.02438	5.6
103.97150	1.3
113.02494	1.4
132.04584	1.7
137.06274	1.1
149.88814	1.1
161.04564	2.6
193.01439	3.0
266.39908	1.2
269.10333	5.3
311.11270	3.7
352.56906	1.2
386.10031	1.2
418.07767	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	418.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60335	1.7
61.17976	1.7
61.98826	100.0
70.68896	3.7
73.56448	2.1
76.33837	1.9
94.19498	1.8
94.30045	1.7
153.64569	1.8
406.39066	2.0
431.61761	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	418.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
59.01360	0.3
61.98828	1.9
71.43627	0.3
78.47329	0.2
80.21886	0.2
109.02954	2.0
109.16013	0.2
110.03732	3.7
123.00877	0.4
124.01659	0.4
125.02428	1.4
137.02481	1.4
138.03224	6.4
142.02731	0.4
151.03970	0.8
165.01961	0.5
166.02719	4.1
179.03488	6.8
180.04263	2.1
193.05070	2.8
194.05495	0.4
198.01683	0.8
207.13895	0.8
208.07303	0.3
219.17657	0.4
235.09755	0.9
236.10521	1.0
242.85037	0.2
291.09052	0.8
299.41464	0.3
301.68396	0.2
305.21228	5.5
306.21484	0.7
331.19308	0.3
333.20703	100.0
334.21057	9.5
334.24173	0.2
335.21271	0.3
336.21753	0.9
359.15344	0.9
375.18088	0.4
418.13364	0.5
418.18506	3.1
419.19119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86929	0.4
61.98828	8.2
68.99818	0.7
69.55465	0.7
69.55850	0.8
70.66219	0.4
95.01367	3.3
96.02185	0.8
98.00089	0.8
98.22618	0.8
100.81560	0.3
104.16560	0.4
109.02937	1.5
110.00111	1.9
123.00883	29.3
124.01743	2.0
125.76933	0.4
126.90501	0.5
137.02438	10.2
151.00337	1.9
151.03990	1.1
152.01106	0.7
165.01920	12.2
165.05588	0.7
165.09241	0.9
166.02301	0.5
179.03612	0.4
179.07082	1.5
180.63005	0.4
193.08682	4.4
219.17581	1.1
221.08167	1.9
233.11664	0.5
247.13309	2.6
256.42963	0.4
261.14828	1.0
267.99887	0.3
287.00955	0.4
289.18158	0.6
290.18784	2.7
305.20993	0.9
318.18335	7.7
319.18533	0.8
321.20673	1.1
333.20691	100.0
334.21045	8.3
336.21597	0.7
418.18491	9.3
419.18536	0.6
419.28152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52264	0.7
61.98825	1.5
69.36568	3.5
72.93904	0.7
74.67933	0.7
87.57516	0.8
98.22643	1.2
107.85684	0.7
109.02951	1.9
110.03732	3.5
112.21807	0.7
123.00935	0.6
125.02468	1.5
137.02466	2.3
138.03223	5.9
142.02701	0.9
147.63794	0.7
151.04010	0.7
166.02719	4.5
174.81587	0.6
179.03479	6.2
180.04243	2.6
193.05057	2.6
226.75224	0.6
235.09433	0.8
236.10440	0.7
291.09100	8.6
292.09229	1.0
302.79901	0.8
303.19803	0.8
305.21207	5.9
321.20688	0.9
333.20694	100.0
334.20883	7.9
359.15405	7.9
360.15424	1.4
375.18372	2.6
383.07394	0.9
418.18381	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	418.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98826	10.4
69.37908	20.6
71.01378	32.2
73.02942	43.5
75.00858	4.5
82.70049	4.1
83.01402	10.8
85.02951	10.8
85.10217	4.2
87.00871	5.3
88.38763	3.5
89.02433	10.5
98.22617	6.8
99.00899	4.2
101.02463	29.6
102.92136	3.8
113.02438	14.2
125.02462	4.6
144.96948	4.3
160.69849	4.4
161.04527	5.6
167.10806	12.4
168.11127	7.7
186.73375	4.2
215.16492	26.0
359.20703	12.5
377.21835	36.9
418.17914	17.7
419.17319	5.5
419.22794	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67091	6.1
59.01373	18.2
60.28342	5.0
61.64114	5.8
69.48325	25.7
81.03446	15.6
98.41859	5.7
107.98882	6.3
114.23491	6.0
116.16196	5.7
122.03746	8.1
123.04523	93.6
142.40730	5.9
149.09634	5.8
165.05531	48.1
241.90659	13.3
293.17477	22.4
321.20639	20.3
375.25317	100.0
383.07202	89.6
418.24490	12.2
419.28146	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	418.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	3.6
67.01881	3.5
69.03432	4.5
69.36397	13.1
95.01386	5.7
95.05046	4.2
97.02965	16.7
109.02926	10.8
121.02969	4.1
123.00842	9.2
125.87304	9.4
132.02219	3.2
137.02415	13.1
138.03201	3.7
139.04024	31.7
208.19328	4.1
241.90712	6.1
293.17639	10.4
305.25085	3.4
329.24875	3.4
333.20651	4.6
347.25760	9.5
355.03909	11.4
357.24127	4.7
375.25360	100.0
376.25720	10.6
383.07156	27.9
389.87070	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	418.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46006	16.1
60.52779	15.0
87.72016	14.4
99.92616	20.1
115.67908	16.6
120.55309	15.2
122.03747	86.1
137.06090	52.0
164.83644	100.0
177.21617	15.1
182.72603	16.3
208.35065	15.5
333.20505	21.3
375.28918	60.3
383.07184	21.0
391.08353	16.0
418.12866	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40136	4.0
55.24089	4.7
56.66640	4.3
59.01377	7.6
65.19428	4.7
69.78218	15.2
75.66876	5.1
81.03447	18.6
89.18349	4.2
93.00549	4.0
98.21932	9.1
108.70750	5.3
118.89960	4.9
123.00892	10.8
126.90525	8.1
137.06081	100.0
139.87341	7.1
219.17528	17.7
241.90759	6.1
273.89670	6.7
277.21509	6.1
291.15955	5.7
301.17914	7.5
316.20486	4.9
321.20740	80.3
375.29086	40.6
383.07196	84.5
407.28610	5.3
418.09149	14.2
419.09491	5.4
419.28171	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	418.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37292	4.9
60.46177	5.5
61.98826	5.1
70.05730	4.2
74.15585	5.2
81.03448	19.2
101.30711	4.8
104.16447	4.8
137.06078	100.0
138.06302	5.5
139.77808	5.6
142.25436	4.7
143.81158	5.1
165.01891	6.8
168.81363	5.1
204.25459	5.5
226.09570	5.3
240.84293	5.6
267.12253	6.7
293.17590	8.6
308.15579	5.5
333.20663	39.9
333.24142	11.3
375.28973	97.9
383.07117	6.7
418.26648	14.8
420.77008	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	418.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
61.98833	2.9
69.45253	1.8
69.45523	8.3
70.38944	1.7
71.04978	1.7
73.45362	2.1
88.61439	1.8
92.92807	1.7
95.01402	2.4
96.08557	1.7
97.02926	1.9
123.00852	12.9
124.01568	2.2
125.55029	1.6
125.87305	9.0
127.38286	1.8
137.02457	2.4
137.99648	1.8
139.04056	4.0
147.54529	1.8
165.05507	1.8
185.91779	2.4
193.04944	2.4
194.05350	1.9
231.98698	1.9
241.90697	15.3
245.90419	1.8
248.88213	4.9
251.16522	2.2
263.41458	1.6
265.17899	1.8
273.89651	9.8
293.17563	22.3
328.03027	2.0
333.20596	3.8
353.19962	2.1
355.03845	2.2
375.25186	8.8
375.28995	30.6
376.29477	3.6
382.07501	5.8
383.07181	100.0
390.04840	2.6
418.04260	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01146	1.1
59.01386	10.8
61.25376	1.0
61.98828	7.9
71.01382	4.1
72.99304	1.4
85.02969	2.3
88.98785	1.2
89.02477	2.6
95.01379	2.2
96.95986	1.1
99.00906	1.2
101.02424	2.9
104.60431	0.9
108.02196	1.5
109.02945	1.0
111.00877	2.9
113.02489	5.5
123.00894	8.1
124.01654	1.6
125.02428	1.9
127.00407	3.9
136.98824	2.3
137.02446	2.6
138.03224	14.7
139.00392	3.0
139.04010	9.7
153.05574	27.7
154.05882	1.5
161.04585	1.3
166.99864	3.4
181.01482	7.3
182.02214	19.4
183.02451	1.2
194.02231	1.1
196.03763	13.1
197.04552	100.0
198.04860	5.6
211.06116	5.9
221.08232	2.0
224.03178	6.0
239.05609	18.5
239.09248	1.8
255.18007	1.1
257.10574	1.1
267.07214	4.6
269.06723	1.9
299.07724	2.1
404.14508	2.3
419.15872	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	419.1346
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
50.16960	0.5
55.01878	0.7
55.29751	0.5
57.03442	0.5
59.01377	10.3
61.98836	4.4
66.71852	0.5
69.15653	1.3
69.16058	2.1
71.01376	6.9
73.02930	1.9
78.45291	0.6
83.01406	1.3
85.02958	3.6
85.72913	0.5
89.02437	0.8
93.03464	5.8
99.00861	1.0
101.02456	4.2
106.03542	1.2
106.04238	18.5
107.05033	34.6
108.02160	1.5
108.05362	0.7
109.02960	1.0
113.02440	3.2
121.02939	3.9
124.24404	0.6
138.03293	0.6
152.01152	0.6
161.04564	2.0
164.22701	0.6
177.09236	0.6
213.09204	100.0
214.09521	6.8
244.40630	0.7
257.08188	86.2
258.08484	5.1
289.80136	0.6
293.17554	3.6
294.17883	0.7
309.17059	8.1
310.17661	2.5
356.94946	0.6
419.13599	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	419.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	96.4
61.98830	9.5
64.95086	6.5
69.47507	30.4
71.01379	27.1
85.02945	7.5
89.02430	22.5
98.21931	14.9
101.02419	15.8
113.02468	12.5
119.03527	8.4
221.08060	6.7
239.16508	28.3
240.92429	6.5
329.87115	7.5
419.22757	100.0
420.22958	9.1
439.66394	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	419.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60440	13.0
59.01369	100.0
69.38836	63.5
70.59071	12.6
71.01387	46.1
73.02937	17.5
78.95879	18.9
89.02424	30.0
96.96000	30.9
101.02444	25.4
113.02406	18.9
155.73053	13.8
165.05621	14.6
192.00600	26.4
207.03044	27.6
251.07968	13.5
259.99402	14.0
265.77859	12.9
389.15942	29.3
419.23199	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	100.0
69.38215	77.3
71.01349	21.4
75.17991	18.7
77.96304	15.6
82.90092	16.6
159.20819	17.7
215.16374	29.4
221.11739	24.2
252.77412	18.4
266.15021	25.1
356.01056	25.0
377.21640	48.6
417.31348	16.9
419.22589	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.9
59.01381	14.0
61.98815	3.6
65.51352	0.8
69.15871	1.7
69.16280	3.9
71.01376	2.5
73.02943	2.9
78.95871	0.7
85.02975	1.7
89.02436	1.8
101.02416	2.0
106.06618	3.3
109.02936	1.1
113.02486	0.9
118.97322	0.8
123.12478	0.8
124.01671	4.3
125.02429	2.2
137.02440	2.9
138.03242	1.6
139.04015	5.4
150.05632	2.3
151.00389	1.7
153.00232	1.0
174.03239	1.7
175.03972	1.8
183.78932	0.9
189.05577	1.9
205.05173	1.2
206.05939	1.9
207.06612	1.8
220.07455	0.8
221.08153	3.0
241.04993	1.3
250.08423	1.1
253.04977	1.7
255.06822	1.2
257.11853	4.5
280.03690	1.4
281.04501	3.6
283.06143	1.0
284.06802	1.0
286.04935	0.9
295.06125	1.1
297.03931	1.8
297.12482	1.2
298.04822	3.5
299.02332	1.1
299.05603	2.3
300.02924	1.0
301.07117	3.1
311.05600	2.5
311.09042	1.1
312.06354	4.4
313.07162	17.1
314.07843	3.0
315.08817	1.7
326.07874	2.0
327.08698	13.0
328.05872	2.0
328.09329	1.9
329.06622	8.9
329.10349	3.6
329.14572	4.7
332.15991	1.0
333.00696	4.3
341.10406	1.6
343.08218	9.6
343.11841	1.7
344.08954	16.1
345.09113	1.1
356.09827	2.1
357.13657	1.2
358.10556	34.5
359.11331	58.9
360.11832	5.0
373.12897	51.5
374.13348	4.5
375.20023	1.0
389.12381	15.4
390.12943	1.1
404.14728	54.4
405.14929	4.9
419.17111	100.0
420.03748	0.9
420.17340	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01377	100.0
60.01720	0.9
61.98839	1.1
68.17273	0.6
69.53091	0.5
71.01374	10.5
73.02941	2.9
83.01397	0.9
85.02946	5.2
87.00900	1.8
89.02443	1.7
95.01422	1.0
99.00896	1.3
101.02433	7.2
113.02462	3.8
126.18822	0.5
131.67332	0.6
143.03465	1.1
159.03024	1.4
161.04547	18.3
161.05817	1.2
165.05605	1.1
177.01921	1.1
195.06699	0.6
195.63748	0.6
225.96483	0.5
228.79028	0.6
241.05141	1.0
257.08130	4.3
354.67673	0.6
359.16934	2.6
376.68512	0.6
419.14075	1.0
419.19214	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	419.205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.9
59.01381	2.8
66.58846	2.1
69.79128	7.1
80.02695	2.7
81.03464	3.0
83.01396	4.6
84.02158	2.9
85.02951	6.6
94.03785	2.7
96.99310	9.0
98.21818	3.3
108.01552	2.5
108.02149	13.6
111.00875	39.7
112.01678	8.1
113.02450	9.9
122.03758	6.3
144.00676	3.4
181.08711	3.1
181.43349	2.4
183.61211	2.2
207.17566	4.0
219.17607	3.0
225.18596	10.3
233.19023	20.5
235.13373	3.5
249.18588	14.9
254.58574	2.3
261.18582	54.6
262.19025	3.3
263.20236	4.7
265.21722	29.0
273.89807	2.6
278.18863	46.4
293.17850	5.8
293.21216	100.0
294.21533	7.0
305.17630	3.7
307.19128	41.1
308.19595	3.2
309.20782	4.7
321.20767	17.5
337.16409	4.0
337.20175	57.7
338.20471	5.3
354.36420	2.7
383.07193	15.0
419.24036	5.7
419.28464	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	419.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03278	0.8
52.33740	0.9
55.01870	1.2
57.03435	0.9
59.01380	39.9
61.01783	0.9
61.98820	3.1
63.02745	0.8
69.03451	1.1
69.72147	1.8
70.20641	0.8
71.01379	14.6
73.02940	4.0
75.00868	1.0
77.17877	0.8
77.87514	0.9
80.78979	0.8
83.01400	2.5
85.02941	6.8
87.00864	2.2
89.02456	1.9
92.66293	1.0
95.01368	1.2
97.02949	1.2
98.21864	1.0
99.00842	1.4
101.02431	6.5
111.00881	1.4
113.02442	3.1
125.02450	1.9
169.15994	2.6
179.05600	0.9
197.15486	1.9
215.16519	31.6
216.16791	1.3
223.06432	0.8
257.17624	1.7
278.17603	2.3
359.20712	18.2
359.27878	2.2
360.21121	1.6
360.34891	0.9
373.63535	0.9
375.77588	1.1
377.21771	49.9
378.22125	3.5
419.22849	100.0
420.23236	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	419.2438
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.25128	0.4
54.83559	0.4
57.59568	0.4
61.98820	1.0
67.12784	0.5
71.09003	0.6
75.02375	0.4
79.05536	0.6
81.03438	6.1
83.01396	0.4
103.71630	0.5
103.99557	0.4
116.66815	0.4
122.03745	3.4
135.04507	0.8
247.17073	0.5
287.20047	0.5
287.27454	0.8
289.25372	12.6
290.25616	1.3
290.57089	0.5
301.21780	0.9
313.25385	6.6
314.25873	0.6
329.24850	3.2
331.26401	100.0
332.26746	8.5
339.23148	1.0
357.19885	0.8
357.24347	20.3
358.24686	1.8
375.25354	19.9
376.25693	1.9
383.07135	1.6
401.23300	30.9
402.23697	2.7
404.46548	0.5
419.24359	62.8
420.24811	5.5
443.01990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36417	0.4
69.36807	0.2
95.71460	0.2
109.02939	0.1
110.03730	0.1
137.02458	0.2
138.03212	0.3
139.04008	2.8
150.03233	0.3
153.05482	0.2
156.29330	0.2
166.02763	0.8
167.03494	10.3
168.04247	0.9
179.03503	0.3
180.04193	0.2
181.05093	0.8
191.07170	0.3
219.10130	0.2
219.13783	0.2
222.08983	0.2
247.13370	0.4
265.14514	0.4
274.41031	0.1
302.76743	0.1
306.07312	0.1
319.19141	0.8
333.24393	0.6
361.23825	16.9
362.24585	100.0
363.24951	8.4
363.29675	0.2
376.26114	0.3
395.69077	0.2
404.25668	14.0
405.25986	1.7
419.28009	18.6
420.28375	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	419.28
Annotation	Fusarielin B
Peak:m/z	Relative Intensity
50.05067	0.5
60.47522	0.5
71.06569	0.5
79.05531	1.1
96.02192	0.7
103.15816	0.5
110.70580	0.5
113.52803	0.5
116.06359	0.5
121.02951	0.7
124.01680	2.2
129.36440	0.5
131.50142	0.5
134.07796	0.4
135.04523	2.3
136.05327	0.9
137.02446	3.1
149.02435	16.3
149.06079	1.5
150.02913	0.6
150.06856	1.7
152.01164	1.1
158.22261	0.5
160.05269	0.8
163.03992	9.7
164.04697	0.5
177.01918	3.5
177.03200	0.4
177.05519	3.5
178.06339	4.6
188.39789	0.6
191.03484	1.7
192.07889	0.6
205.05116	1.0
206.05856	3.1
206.09334	0.9
207.06572	0.6
219.10414	0.8
220.07445	1.0
285.25797	6.4
293.21237	0.9
297.02612	0.5
306.41324	0.5
319.22839	0.8
321.20724	7.4
347.22165	5.7
347.25958	7.1
348.26398	0.6
357.24261	4.0
375.25372	84.9
376.25784	7.7
378.22980	0.4
419.27994	100.0
420.28262	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	420.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
59.46782	0.4
66.03148	0.6
66.03483	9.6
69.63342	1.5
70.45409	0.4
71.01361	0.8
74.41174	0.4
80.77385	0.3
85.02973	0.4
86.22964	0.4
89.02427	0.6
90.13110	0.4
101.02455	0.7
108.02136	0.7
110.01775	0.8
110.02480	12.0
113.02428	0.7
117.02003	0.4
119.42603	0.4
124.01633	1.5
124.04057	0.7
125.02384	0.5
133.02940	0.6
136.01659	1.4
137.02431	0.6
138.03220	0.9
143.38689	0.4
149.02354	0.5
149.99680	0.5
150.03224	0.9
152.01164	0.7
152.03549	0.7
161.02458	3.2
162.03218	3.0
164.01144	8.1
166.02661	1.4
168.00626	0.8
173.02460	0.6
177.01990	1.1
178.02698	0.6
178.99852	2.2
180.00522	0.5
189.01878	1.0
190.02686	5.6
192.00644	100.0
193.01338	14.4
194.02193	5.9
205.01422	3.6
205.05122	0.4
206.02231	3.4
207.02975	72.6
208.03279	2.9
211.02376	0.7
221.00882	2.0
222.01701	1.8
232.03786	1.5
234.01686	14.3
235.02293	1.1
237.04085	2.0
249.04031	13.5
250.04291	0.8
276.02713	1.1
285.02927	0.4
291.04947	1.1
294.03879	1.2
299.99060	0.4
309.06171	8.7
312.04694	0.7
323.17581	0.4
327.06937	0.5
346.62442	0.4
405.06973	2.7
411.82126	0.4
419.23056	1.5
420.09396	15.1
420.23010	2.0
421.09863	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
60.01719	0.4
61.54078	0.5
61.98829	100.0
71.01019	0.7
71.01386	2.3
72.99313	0.6
75.00883	0.6
76.19633	0.4
77.00432	0.4
85.02961	1.1
89.02464	1.7
92.53172	0.4
96.96011	0.7
101.02448	1.0
113.02463	1.6
114.02860	0.5
119.03561	0.6
122.30511	0.4
127.07701	0.6
150.57835	0.4
179.05666	0.5
179.07176	0.7
202.86328	0.4
212.66202	0.5
247.09926	0.6
265.10837	1.0
267.07278	1.2
268.07642	1.5
360.13751	0.7
376.13510	1.7
384.40201	0.5
421.13187	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	420.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02791	10.3
61.08234	9.8
68.04502	9.9
69.27888	50.0
69.77795	9.0
71.70277	9.0
76.98136	9.6
84.95108	24.4
85.00422	36.5
98.22628	16.9
123.00848	26.0
123.04527	55.5
126.90449	14.9
146.79662	10.4
220.17947	24.3
241.90604	13.5
242.91019	15.6
250.87872	14.4
293.17578	29.3
294.17865	68.8
320.19937	86.2
321.20084	14.2
330.69751	10.7
334.20807	23.5
335.21280	13.2
361.27316	35.0
377.23221	45.3
383.07184	67.3
384.07483	100.0
385.06827	75.4
420.03326	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	420.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.7
66.74432	2.1
70.75578	3.7
82.95415	4.4
99.92577	16.4
103.01505	3.9
122.03774	2.2
123.04536	5.4
124.01622	2.2
124.72073	2.6
127.87027	5.0
137.02425	6.2
138.03299	4.2
139.98184	2.5
151.04008	4.7
190.52577	2.2
271.22726	2.3
291.19626	21.6
303.19629	3.2
304.20621	2.5
319.15466	4.6
319.19159	64.4
320.19901	38.3
321.20221	3.7
334.21500	9.7
335.22275	30.8
336.22791	2.4
337.20038	2.8
338.20627	4.1
347.22092	3.6
377.23331	100.0
378.23682	5.2
420.12662	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	420.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.2
61.01440	1.4
61.98826	100.0
69.59048	1.5
69.59383	6.0
69.99225	1.4
96.28554	1.5
103.01457	4.1
122.89437	2.3
125.87329	28.6
126.88116	12.5
131.89230	1.6
139.88847	1.6
157.86282	8.3
196.88606	4.3
313.03000	10.8
320.00400	2.1
321.00964	1.9
349.00580	11.7
383.06818	3.6
384.07446	6.8
385.06870	5.4
385.11725	2.2
416.10535	1.8
420.03885	1.9
420.09280	25.4
421.09201	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	420.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21847	9.0
61.98830	14.2
69.93080	20.0
85.47670	7.1
90.37445	8.2
101.83838	7.4
102.41837	6.9
151.04062	7.6
202.32169	7.4
291.19598	8.9
305.17514	21.4
319.19153	70.4
320.19858	29.5
332.26773	8.9
334.21405	24.0
335.18591	26.1
335.22226	31.1
340.71222	7.9
377.23257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2755
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
50.55239	1.2
54.60262	1.0
61.98808	1.0
88.98814	1.1
98.22605	3.0
98.24007	1.2
116.44701	1.1
121.02956	100.0
122.03280	2.5
127.87048	5.8
162.92519	1.9
163.59892	1.0
243.47169	1.1
419.96387	2.9
420.18695	2.2
420.27536	57.7
421.27930	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	420.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51272	0.8
61.98833	0.9
81.03452	25.8
88.12263	0.8
93.96967	0.8
96.86922	0.8
99.92542	0.9
118.69897	0.8
123.04523	100.0
124.01687	1.0
124.04823	2.8
149.06075	2.0
194.98407	0.9
221.15918	0.8
243.90291	1.3
265.14395	1.4
354.61334	0.8
357.03909	5.7
359.25815	2.3
377.26987	22.5
378.27243	2.4
383.07132	1.6
384.07520	1.2
422.11938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.7
59.01362	3.9
65.70947	1.2
65.99613	1.4
67.01869	1.9
71.43987	1.7
78.91881	1.9
78.95921	7.6
80.66846	1.2
85.02941	16.9
87.00333	1.9
87.00872	35.5
88.98772	1.8
96.95993	1.4
96.96954	3.6
97.32849	1.2
108.02158	2.6
111.00875	88.1
112.01211	3.4
129.01949	4.7
152.01103	2.4
173.00865	5.1
179.07137	4.5
191.01965	100.0
223.06050	1.6
274.55338	1.4
285.06186	3.9
385.11160	3.0
421.07590	2.6
421.13245	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	421.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48800	0.6
55.01877	1.1
57.03424	1.1
59.01370	5.0
61.83148	0.6
61.98825	7.4
62.38425	0.6
62.78907	0.6
68.99824	1.1
71.01381	13.5
73.02946	5.7
74.59318	0.7
81.03433	0.8
83.01399	3.0
85.02943	6.0
87.00886	1.8
89.02413	1.1
91.01843	0.7
92.02673	2.7
93.03458	30.0
94.03808	0.8
95.01381	6.1
96.99315	1.7
97.03008	0.7
98.86998	0.6
99.00878	1.6
101.02439	9.9
107.01398	2.1
108.02173	17.0
109.02955	15.1
111.00857	0.9
113.02444	6.3
118.98119	0.8
119.03503	0.7
121.02934	1.3
121.14735	0.6
123.00885	58.4
123.04508	3.5
124.01666	46.8
124.02612	1.2
125.02425	2.0
136.01654	4.1
137.02440	56.3
138.03242	22.2
139.04015	24.8
139.05121	1.0
147.04494	1.1
151.00351	2.9
151.03992	2.3
152.01160	8.1
153.00066	0.7
153.01924	8.4
159.02963	0.9
161.04533	1.4
166.02681	0.9
166.99908	1.0
167.03473	9.0
168.00632	1.6
171.10149	0.6
179.03506	0.9
180.99643	1.1
191.03439	0.8
210.96756	0.6
212.40143	0.6
221.04704	1.0
221.06688	3.0
230.02216	1.3
239.05475	0.7
259.06143	1.8
281.06644	52.6
282.06982	2.4
297.06079	1.3
311.07730	12.0
312.08279	0.8
333.00769	1.7
385.15128	0.8
421.11380	100.0
422.11676	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	421.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01376	5.8
62.03395	0.3
64.43573	0.3
67.01893	0.8
69.03445	0.8
71.01379	5.2
73.02946	2.3
78.01091	0.6
79.01890	0.9
81.03439	0.5
82.00591	0.5
83.01396	1.4
85.02951	2.9
86.00095	0.6
89.02402	0.5
95.01385	2.5
97.02950	1.2
99.00850	0.5
101.02449	3.9
107.01386	4.2
107.05054	0.4
109.02946	0.4
109.61684	0.3
110.00107	0.4
111.00877	1.7
111.47763	0.3
113.02452	2.0
123.00885	18.0
123.45994	0.3
124.01664	14.3
125.02447	16.9
126.02795	0.4
127.00425	0.4
136.98845	1.1
137.02440	0.6
139.00351	2.8
140.01131	2.6
141.01945	3.2
149.99590	0.6
150.99150	0.6
151.00369	13.1
153.01915	0.6
161.04572	0.4
163.03957	0.6
168.00633	4.7
169.01422	21.8
170.01799	0.4
177.02010	0.3
181.05106	0.6
185.11798	3.3
195.02995	0.8
201.77274	0.3
208.68420	0.4
223.02345	0.4
253.03543	0.5
313.05698	1.7
421.11356	100.0
422.11673	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	421.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
61.98807	0.3
65.70481	0.3
69.03438	0.6
69.39864	1.1
71.01376	1.3
73.02951	0.3
76.50588	0.3
77.43293	0.2
81.03464	2.5
83.01376	0.5
83.05045	0.3
85.02938	0.5
89.02399	0.3
93.03458	0.8
95.01385	3.0
97.02948	1.0
99.00874	0.3
101.02441	1.2
105.03457	1.0
107.01387	2.6
107.05048	0.5
109.02985	1.4
109.08025	0.2
111.04494	0.9
113.02467	0.7
118.05390	0.3
121.02950	1.5
122.00085	0.9
123.00881	2.2
123.04508	0.6
124.01752	0.4
125.02451	9.6
128.99785	0.3
133.02953	0.4
135.04543	0.6
136.01631	0.9
137.02441	2.7
139.04095	0.3
141.01868	0.3
149.02415	1.1
149.99580	66.2
151.00378	10.1
151.03970	0.5
152.00981	0.3
155.03563	0.4
161.02441	0.4
163.00331	0.3
163.03981	0.4
165.01895	1.8
165.89996	0.3
167.00191	0.3
169.01369	0.6
177.01913	0.7
191.03535	0.5
193.01373	2.1
234.43404	0.3
281.98697	0.3
285.06216	0.3
313.05646	100.0
314.06012	5.4
331.06534	0.7
421.11755	0.8
421.24371	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1138
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.95034	0.3
55.01857	0.9
57.03416	0.4
59.01379	6.3
60.97976	0.3
61.98818	0.4
65.00326	0.3
67.01883	0.7
69.03425	0.5
70.80267	0.4
71.01379	5.4
72.99294	0.5
73.02942	2.3
76.74461	0.3
78.01106	0.3
79.01883	1.1
82.00596	0.6
82.19384	0.2
83.01375	1.6
84.03899	0.3
85.02948	3.5
85.89627	0.3
86.00064	0.5
87.00851	0.4
89.02409	0.3
89.74425	0.2
93.03448	0.3
95.01392	2.7
97.02938	0.9
99.00883	0.8
101.02440	4.3
107.01389	4.2
107.05049	0.3
110.00069	0.6
111.00856	1.8
113.02433	1.9
116.92830	0.4
121.02934	0.5
121.48058	0.3
123.00882	19.7
124.01662	12.9
125.02445	16.7
125.71867	0.3
126.02766	0.5
127.00363	0.6
136.98805	1.1
137.02411	0.5
139.00360	3.2
140.01176	3.3
141.01959	3.3
149.99605	1.0
151.00366	12.7
151.03918	0.4
152.00652	0.4
153.01909	1.2
154.99925	0.4
161.04590	0.5
163.03969	0.4
167.03563	0.4
168.00642	3.6
169.01419	19.5
170.01765	0.6
177.01912	0.3
179.03363	0.4
181.05106	0.3
181.69315	0.2
185.11826	4.1
193.01501	0.4
195.02979	1.1
253.03545	0.5
253.09331	0.6
255.04964	0.4
259.06058	0.5
291.06949	0.3
298.36642	0.3
313.05637	2.0
313.19690	0.3
368.55487	0.3
421.11383	100.0
422.11722	9.7
422.20563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01377	100.0
59.61876	0.7
60.01695	1.0
61.98825	1.5
63.39290	0.7
71.01380	15.4
73.02953	5.0
83.01402	3.0
85.02947	6.5
87.00916	0.8
89.02435	4.5
93.07434	0.7
95.01353	1.6
96.96035	1.2
99.00907	1.8
101.02447	9.8
103.55314	0.6
109.02988	1.8
113.02428	5.5
119.03567	1.0
123.00911	0.8
123.04469	0.7
125.02480	2.3
137.02417	1.4
153.01974	5.3
161.04584	6.1
161.43495	0.8
179.14445	0.8
197.15454	4.1
213.14949	3.5
221.33081	0.7
241.14539	1.3
253.07249	0.8
259.15506	6.2
268.60068	0.7
289.16577	10.1
303.50848	0.8
421.15201	0.8
421.20517	19.3
422.21115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1551
Annotation	Losartan
Peak:m/z	Relative Intensity
57.02135	14.6
59.01364	19.6
61.98811	42.8
62.61724	15.1
69.53956	39.5
69.54339	50.3
79.91409	17.7
153.09973	15.6
199.42509	16.9
216.39973	15.5
421.15463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60557	4.1
59.01382	51.6
69.33061	20.2
71.01389	7.4
72.99288	4.6
73.02945	9.0
75.00873	5.4
75.52033	4.3
78.75170	4.5
86.22768	4.7
89.02439	9.2
101.02431	13.5
113.02459	8.0
125.02488	5.0
128.04999	4.2
134.03816	4.2
138.01956	23.1
154.09650	4.7
172.04063	11.0
185.07980	6.9
187.25911	5.4
249.06108	12.7
264.58240	4.8
300.82120	5.6
345.10803	5.6
421.16193	100.0
421.20892	11.2
422.10861	9.1
422.16360	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01743	2.2
57.03433	2.1
59.01368	8.7
66.93301	2.1
70.14686	2.1
71.01360	2.0
73.16761	2.4
96.96011	3.0
100.49575	2.2
122.56485	1.9
125.02454	4.2
151.03972	2.6
153.01988	3.0
173.64737	2.3
207.61768	2.1
208.99075	5.0
259.06100	3.9
388.14920	2.8
421.16284	100.0
422.16730	6.7
432.71240	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	42.2
61.98822	4.5
69.73159	12.8
71.01386	13.3
73.02943	7.3
85.02950	5.2
87.00881	6.7
89.02441	11.4
96.96005	7.3
99.00864	5.7
101.02452	11.0
109.04148	3.4
113.02463	13.2
120.25059	4.2
123.04446	3.6
125.02448	9.3
136.71008	4.8
137.02475	4.1
138.01952	23.7
153.01950	5.1
156.88899	4.2
161.07484	3.8
165.05577	6.3
171.10284	8.2
172.04054	9.9
185.08130	5.4
214.00822	7.6
249.06102	17.5
255.04988	7.5
257.99896	3.8
361.18896	5.2
421.06836	5.4
421.10892	6.8
421.16238	100.0
421.25024	6.4
422.10840	19.0
422.16370	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	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71887	20.7
59.01369	59.0
61.98837	22.5
69.40675	100.0
71.01394	25.2
84.47897	18.8
93.37216	24.2
98.21866	35.7
109.02929	28.1
129.59058	19.8
129.67685	19.5
148.86711	28.5
153.01909	39.7
165.05548	27.8
256.84689	23.6
291.10947	22.8
292.10297	22.0
311.50681	20.7
350.26917	22.3
384.63016	21.3
421.16269	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98823	17.4
65.58518	7.2
66.03497	7.3
71.01372	26.4
73.02937	25.5
85.02924	19.4
89.02446	19.2
99.92577	8.5
101.02453	22.3
108.02183	9.8
109.02960	27.6
113.02440	14.5
113.06071	29.4
115.92078	9.9
116.92874	21.9
119.03534	9.7
123.04533	15.4
125.02407	17.6
137.09743	8.0
150.03181	13.6
152.01131	37.4
153.01967	44.6
161.04564	16.1
167.03438	12.7
195.06741	10.6
221.06207	9.1
221.08163	17.4
317.06503	16.5
343.76010	7.6
349.13220	13.5
361.18658	14.7
372.04980	8.7
383.13596	10.5
421.06955	45.1
421.15796	54.4
421.20786	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	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78094	2.0
59.01379	12.3
65.15189	2.1
69.40913	10.7
71.01385	5.0
73.02952	4.1
85.02976	2.9
85.53426	2.3
88.23887	2.6
89.02476	3.9
94.52859	2.2
98.22649	4.2
99.33339	2.7
101.02442	4.3
113.02427	4.2
123.04531	6.8
137.58665	2.7
151.82880	2.1
177.99763	2.4
181.03304	2.3
221.11853	11.0
223.13353	20.1
294.45575	2.5
357.57968	2.6
385.18646	100.0
386.19003	6.5
391.01996	2.7
421.15567	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94540	20.6
59.01396	31.8
59.33249	20.9
65.66759	21.7
69.38268	100.0
76.36098	27.7
98.21301	21.0
98.21864	41.4
133.85353	22.7
187.33012	20.7
193.01060	30.3
421.15601	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54759	14.3
57.38580	16.1
59.01378	100.0
61.85542	15.8
65.51550	15.6
69.30403	29.4
69.30804	64.1
71.01364	21.0
73.02943	33.0
83.01343	15.5
98.21897	31.0
101.02415	23.7
199.13435	25.2
300.02408	16.5
421.24716	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	1.0
59.01381	13.5
61.98848	0.8
64.18573	0.8
69.03444	2.4
69.39832	3.8
71.01396	5.3
73.02954	2.1
79.35081	0.8
81.03450	0.8
83.01395	1.6
85.02933	3.9
89.02430	2.2
95.01405	1.0
97.02927	1.6
99.00880	1.1
99.25404	0.9
101.02457	4.3
108.26569	0.7
109.02950	0.9
109.73235	0.7
111.00890	1.1
113.02464	2.3
124.01648	1.0
125.02455	39.4
137.02480	1.4
145.23036	0.7
151.04007	1.2
168.16418	0.8
185.11827	13.8
189.49515	0.8
195.06566	1.4
209.08116	1.1
223.13387	29.7
224.13618	0.9
241.14439	1.7
253.09409	1.1
385.18658	100.0
386.19003	9.6
421.11594	1.6
421.21100	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	421.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45761	0.8
59.01359	0.8
61.08769	0.7
61.98798	0.8
69.39194	2.4
77.09619	0.7
78.01104	11.1
84.93906	0.9
96.71753	0.8
97.40102	0.7
99.92580	1.4
111.00844	1.1
126.70136	0.6
131.03731	0.7
137.99625	1.0
144.93382	0.7
167.06302	1.9
179.18044	3.2
193.16034	1.8
195.17548	37.5
196.17923	1.6
196.58978	0.7
202.35941	0.7
219.17532	63.8
220.17818	3.4
239.16492	1.3
251.16527	22.4
251.19162	1.2
252.16899	1.3
279.16055	7.0
290.29922	0.7
297.17038	6.6
307.15533	1.1
339.18115	100.0
340.18427	8.5
345.75610	0.8
363.16855	1.6
408.67206	0.7
420.18289	0.8
422.04712	2.6
422.10483	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82485	0.3
55.01871	0.4
59.01376	100.0
60.01730	0.6
71.01376	3.3
73.02960	0.7
75.68257	0.3
76.58788	0.3
79.45502	0.3
79.91943	0.3
83.01407	1.0
85.02959	1.1
85.79702	0.3
89.02443	2.7
90.98587	0.7
101.02441	5.6
111.08154	0.6
111.50243	0.3
113.02491	0.8
119.03487	4.8
125.02490	0.3
127.04039	0.9
155.10823	1.1
161.04646	0.8
163.11362	0.7
181.12407	0.6
199.13477	0.3
203.63351	0.3
239.27116	0.3
241.14461	0.7
259.09784	0.4
274.11426	0.3
283.15509	2.1
349.00537	0.4
361.18646	4.7
362.19037	0.4
421.15903	0.4
421.20901	1.2
421.25513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84337	0.7
57.03442	1.1
57.75819	0.8
59.01377	100.0
60.01698	0.9
61.98829	14.3
69.03472	0.8
71.01378	10.0
72.99300	0.9
73.02949	4.5
83.01386	2.8
85.02943	4.2
87.00941	0.9
89.02438	8.2
93.03450	4.9
95.01415	0.8
97.06607	2.0
99.00879	1.4
101.02442	8.6
109.02944	10.4
111.00931	0.9
113.02456	4.9
118.98129	1.4
119.03519	1.5
120.99673	1.0
121.02947	10.9
124.01678	3.4
125.02461	2.2
131.03555	1.3
135.00916	2.6
137.02441	2.2
143.03522	1.1
148.78416	0.8
149.04750	0.8
153.01965	1.7
159.03018	1.0
161.04524	4.0
163.06178	1.8
173.05998	0.8
174.01646	0.7
185.11810	40.7
186.12151	1.2
192.10320	1.7
213.05644	1.5
214.06285	4.8
215.07112	12.1
216.07655	0.8
236.09335	3.1
240.04263	5.5
241.05099	2.7
253.07114	1.0
253.09238	3.9
258.05283	9.4
259.06073	5.2
275.15027	2.9
301.16632	2.5
319.17615	9.7
361.18634	9.4
377.18002	1.0
378.15457	6.0
385.18610	1.1
403.10498	0.9
411.93414	0.8
421.11429	36.9
421.16089	1.6
421.20740	3.6
421.25214	1.1
422.11819	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	421.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56577	0.5
53.74726	0.5
61.98815	1.6
68.99811	1.0
71.01372	1.4
78.93795	0.6
87.04521	0.8
94.05256	0.4
98.21812	1.6
99.92326	0.5
136.05388	2.4
137.06093	2.0
151.03992	3.2
151.07649	1.3
152.04803	3.6
163.03990	0.7
164.04820	2.1
165.05545	8.0
166.06354	8.6
175.04007	1.5
176.04813	0.7
177.05566	1.5
178.06396	1.4
179.03537	0.5
179.07133	10.6
180.07957	3.0
180.09354	0.5
189.05539	0.7
190.06351	1.2
191.07097	0.8
192.07932	3.0
193.05064	0.6
193.08667	2.3
194.05840	3.2
229.21941	0.5
261.22290	0.7
275.23688	0.6
277.18683	1.2
277.21710	20.1
278.21817	1.1
291.19714	1.2
291.23224	1.8
292.20422	2.7
293.21042	0.8
303.23264	2.1
305.21219	57.2
306.21805	12.1
307.22629	1.5
320.19894	1.8
320.23380	0.8
321.24414	3.1
331.22748	5.8
349.23825	100.0
350.24106	9.3
377.23355	4.4
415.25244	0.7
421.22229	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21367	1.0
57.21946	1.0
69.82613	2.7
69.82930	1.0
80.91682	1.3
86.17393	1.1
95.40076	1.0
110.65029	1.1
119.18482	1.0
125.87321	13.8
130.04343	1.0
146.03215	1.0
151.24664	1.1
157.86301	4.7
163.11278	100.0
164.11609	3.9
203.74922	1.1
242.62839	1.2
275.20087	1.1
293.38153	1.3
303.19690	2.7
338.77292	1.2
339.23245	68.4
340.23608	6.1
361.23721	4.7
383.07297	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	40.5
61.98823	64.2
69.68267	96.2
70.37085	29.6
81.47575	29.7
101.78914	33.1
105.31463	31.9
121.02932	100.0
122.03291	39.7
236.83159	41.3
303.77026	38.0
321.81314	35.4
363.61499	33.7
421.27454	86.8
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
51.47992	38.6
56.90094	36.9
61.98814	100.0
62.09594	37.4
70.67079	63.0
121.02937	56.3
155.63049	39.1
206.75194	39.2
288.59247	39.9
396.28418	39.0
421.26575	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	79.2
62.99675	34.0
69.76839	100.0
71.38768	35.4
73.27928	34.7
73.71603	33.9
87.00840	34.6
96.83037	34.8
105.06618	39.5
114.49053	35.8
132.14626	39.7
311.21979	35.8
323.16919	60.4
407.31656	39.0
421.23581	81.5
422.30054	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18555	1.0
54.25382	1.0
59.01372	1.4
61.98829	1.3
70.90136	1.5
78.95906	11.5
80.96525	2.9
89.02441	100.0
90.02766	1.3
107.62778	1.2
119.69167	1.1
122.73762	1.2
123.00884	1.2
123.04530	1.8
124.20038	1.2
129.70517	1.2
152.99586	22.4
171.00624	1.6
273.89386	1.1
275.89563	2.2
296.04477	1.4
304.65216	1.4
383.07172	9.0
385.06827	7.5
421.18686	1.8
421.24081	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	421.2595
Annotation	Lovastatin acid (Mevinolinic acid)
Peak:m/z	Relative Intensity
55.55998	0.4
63.23805	0.4
67.00633	0.4
69.74894	1.3
72.78564	0.4
73.64537	0.3
74.93622	0.4
76.41668	0.5
79.95756	0.3
111.95088	0.4
122.03779	0.6
122.24131	0.4
123.00844	0.4
124.01663	0.5
135.04568	0.7
135.88739	0.4
137.02423	0.5
147.53252	0.4
149.02440	2.3
149.06021	0.6
150.03201	0.7
163.03992	3.0
177.01970	0.5
177.05545	1.6
178.06299	1.1
179.03520	0.5
191.03455	0.7
192.07826	0.5
195.17638	0.5
202.06378	0.8
205.05074	0.7
206.05817	0.8
222.61258	0.4
257.22598	1.0
265.18109	0.7
271.24387	1.0
274.87756	0.4
289.25333	0.5
291.19659	0.7
293.17542	0.8
299.23837	2.1
317.21198	0.7
317.24762	0.6
319.19119	5.3
319.22809	1.0
329.21133	0.8
333.24426	1.2
343.22864	2.1
345.20688	3.8
345.24353	0.7
346.21268	0.5
347.22247	12.5
348.22549	1.1
361.23776	6.0
371.22192	1.9
389.23254	5.8
390.23636	0.6
393.26239	1.0
421.25931	100.0
422.26285	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	421.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98547	0.8
56.41180	0.9
70.91877	1.4
86.97360	1.0
112.97242	0.9
139.04001	6.3
166.02811	1.0
167.03485	20.3
172.93352	0.9
180.96169	0.9
181.05077	1.4
211.71091	0.9
242.55664	1.0
363.20850	1.7
363.25369	33.8
364.26141	100.0
365.26520	7.6
406.22015	1.1
406.27164	4.3
421.29550	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	422.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48763	0.5
56.97535	0.5
57.03449	4.8
57.62319	0.6
59.01381	4.4
61.98828	6.1
62.08904	0.5
63.02402	0.5
65.00326	1.4
69.34956	1.9
71.01392	2.9
73.02971	0.5
74.02460	0.9
75.00873	1.1
83.01383	2.8
85.02898	0.6
86.02502	0.8
89.02450	1.6
90.98656	0.5
98.22604	1.1
99.05637	1.1
100.97729	0.5
101.02457	0.5
107.01382	2.0
108.09803	0.5
109.02943	1.8
111.00845	0.6
113.02472	0.8
114.02816	0.5
121.02958	2.2
121.03731	0.5
125.02449	35.1
126.02753	1.1
127.07678	1.0
128.03566	2.6
137.00662	0.6
137.02380	0.9
139.04004	1.0
141.00130	0.6
143.04636	3.4
145.02977	2.5
147.00873	2.5
149.02440	4.4
149.09755	0.7
150.03271	0.7
150.10092	0.5
151.00386	9.5
151.03970	0.6
152.01189	3.1
152.02187	0.6
153.00169	5.1
153.01926	5.7
155.01743	2.0
159.04529	1.6
160.00700	1.1
163.07651	0.8
165.00104	1.0
165.05624	1.0
167.10786	1.0
169.01447	1.1
171.04466	1.0
173.02399	1.9
174.98987	0.6
175.00388	9.4
175.03891	1.1
176.01184	4.1
177.01895	1.6
178.99872	10.8
179.01443	0.8
179.04521	0.5
180.00520	0.9
180.99673	9.6
181.01335	0.5
183.01195	7.7
187.04019	1.5
190.98119	0.8
201.05627	0.5
203.01678	0.6
207.01196	7.8
207.06728	0.6
208.99133	100.0
209.99461	4.6
210.08765	0.6
211.03966	1.0
215.03474	1.1
221.02907	0.7
225.07671	4.0
228.75661	0.6
229.05202	0.8
231.01193	6.3
232.99078	0.9
248.01488	0.6
249.02211	2.2
254.07886	0.9
255.03079	1.4
256.03754	1.0
257.04541	1.7
258.05173	0.8
260.09320	1.1
268.03320	0.6
272.08884	1.3
273.02179	4.5
283.02493	5.3
284.03214	1.3
285.04010	3.5
285.74695	0.5
288.06543	0.6
291.03381	2.7
296.02313	10.1
299.00146	1.0
301.03622	1.0
306.07639	5.9
317.01260	14.2
318.01520	0.8
335.02283	7.3
342.04431	2.1
387.12939	1.5
401.17578	0.5
404.04498	8.3
405.04892	1.2
422.05551	11.0
422.13928	2.2
423.06967	1.6
423.19006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68422	1.4
56.98623	1.3
57.03451	1.9
58.02966	5.5
59.01374	14.3
60.60355	1.2
61.98830	45.2
69.54958	5.0
69.67971	1.4
70.02972	1.6
71.01392	7.9
74.02470	13.4
80.50392	1.3
85.02943	1.8
86.02473	5.7
86.06069	1.6
86.99067	1.7
87.00857	1.4
87.05622	3.8
89.02443	5.8
90.00208	2.0
97.04070	1.8
99.05657	10.2
101.02467	2.5
101.07164	2.7
102.05584	1.4
109.02983	3.3
112.04061	1.7
113.02436	3.0
116.01735	1.4
116.92843	3.8
124.01676	1.8
125.02446	14.6
126.02759	1.7
127.05119	2.6
128.03540	31.0
130.08720	2.4
133.05078	15.1
134.05362	3.6
135.05586	3.1
141.06691	2.7
143.04620	50.0
145.02954	2.4
145.06181	2.8
146.04550	3.3
153.01987	3.2
153.06699	2.6
160.00703	13.2
161.02443	2.2
163.07631	5.3
166.09941	1.5
167.04602	3.4
167.08261	1.8
172.09752	1.4
177.01938	1.5
177.03374	4.4
179.04597	10.0
181.08798	1.3
192.04272	3.3
192.07771	2.1
207.06645	18.2
210.08836	7.2
225.07678	13.0
235.61240	1.3
249.06194	2.3
254.07794	10.8
260.09375	2.2
272.08875	18.6
288.06601	9.0
306.07635	100.0
307.07852	5.5
369.51062	1.3
387.12741	11.6
387.16748	1.5
404.14954	3.0
422.13782	2.2
423.09048	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	422.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
74.54115	0.5
110.92907	0.5
116.92864	1.5
118.89976	4.2
123.00841	0.5
159.73367	0.5
172.36722	0.5
232.95702	0.6
240.90004	0.6
275.20190	0.6
303.19769	0.9
354.28271	0.5
359.24173	0.5
384.07217	0.8
385.07205	0.9
386.07330	1.1
422.09543	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	423.039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20954	0.9
57.03448	4.9
59.01377	61.4
65.00328	1.1
69.34685	2.9
69.35098	1.8
71.01373	6.9
72.99303	2.0
73.02942	3.8
75.00867	3.0
83.01381	3.0
85.02948	7.1
87.00871	3.7
88.43173	1.0
89.02428	2.3
92.59408	0.9
93.03424	1.2
95.01400	1.3
98.21293	0.8
99.00864	1.9
101.02447	6.0
107.01390	3.0
108.02192	1.1
109.02959	1.4
113.02475	6.6
120.99693	1.1
121.02936	3.0
123.04509	2.5
125.02455	28.7
125.06010	1.4
125.09712	1.3
137.02460	1.9
138.01945	7.6
139.02292	2.1
147.00858	2.3
149.02451	5.7
151.00365	11.7
151.04022	1.2
152.01125	3.8
153.00185	5.9
153.01900	4.7
155.01746	2.4
159.04483	1.2
161.04529	2.7
161.05847	1.1
165.01884	1.2
173.02437	1.4
173.11827	11.8
175.00349	9.9
175.04013	3.2
176.01115	3.3
177.01834	2.0
178.99863	14.9
179.01508	1.6
179.05559	1.6
180.99658	11.8
181.01250	1.6
183.01186	12.8
183.02632	1.3
183.04373	1.0
187.04044	1.8
187.09676	0.9
193.01602	1.1
197.02390	1.3
201.05493	1.2
207.01176	5.7
208.99124	100.0
209.99411	4.3
211.04141	1.2
213.05655	1.1
227.03584	1.4
231.01250	7.0
241.04886	1.0
249.02271	3.3
249.06125	3.5
249.13478	2.7
255.00844	1.6
255.03114	2.6
257.04599	1.3
271.02661	1.6
273.02145	4.9
274.02676	1.2
283.02496	7.9
284.03229	2.8
285.03973	9.2
291.03229	4.0
297.00720	30.3
298.01044	1.0
301.03436	1.7
317.01251	18.7
335.02219	6.1
363.16589	7.8
381.17554	5.0
405.02856	11.5
406.03067	1.3
423.03784	24.4
423.18250	17.8
424.04346	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	423.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03440	1.7
59.01377	57.2
61.98831	6.9
66.82372	1.1
69.03451	1.3
71.01378	25.5
72.99283	1.1
73.02937	6.5
83.01372	2.9
84.93868	1.9
85.02949	8.3
87.00866	2.2
87.04518	4.5
89.02432	8.3
93.37458	1.1
95.01387	3.0
96.95994	5.6
98.22676	2.1
98.95608	6.6
98.96381	0.9
99.00879	3.7
99.92583	18.0
100.93359	53.2
101.02451	12.3
101.93354	2.2
105.13792	1.0
107.01381	6.7
108.02173	4.1
109.02950	15.6
111.00885	2.1
113.02453	8.4
114.94978	1.3
115.30825	1.0
115.92076	100.0
116.92091	4.1
116.92858	19.2
119.03492	2.9
121.02979	1.0
123.00881	12.4
124.01652	8.3
125.02449	33.0
139.00328	1.4
140.01184	2.3
141.01978	2.6
141.55080	1.3
141.93600	1.4
142.94414	4.5
143.03506	1.1
143.04620	2.5
150.03252	2.2
151.00386	9.7
153.01932	3.4
159.03003	1.2
161.04573	12.7
163.04048	1.0
163.07637	3.8
164.04718	1.1
165.05539	2.2
168.00696	2.8
169.01431	37.9
170.01797	1.4
172.22107	1.1
179.05641	2.3
179.07083	1.3
190.22458	1.1
195.06587	1.7
199.00655	2.4
200.99748	1.3
201.11363	7.7
207.06593	3.1
225.07654	9.8
226.96565	10.8
244.97556	10.6
256.03653	1.1
261.00812	2.3
297.06464	1.1
306.07651	1.9
307.07974	2.5
313.05762	5.8
315.08804	1.4
318.12686	1.1
323.13547	3.3
361.05948	73.7
362.06125	7.6
363.16595	12.2
387.04092	2.5
387.13007	8.4
423.09341	99.7
423.18619	2.8
424.09854	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	423.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
69.62186	0.6
70.28281	1.7
71.01369	1.2
73.02946	40.7
80.91724	0.8
99.00887	6.0
109.02964	1.4
111.04547	0.7
116.92843	1.3
117.01941	100.0
118.02287	1.3
125.02441	7.2
137.02444	2.4
139.04008	1.3
141.00453	1.2
165.01990	1.0
167.03450	1.0
177.05612	0.9
179.03503	1.2
179.07108	3.8
219.87679	0.7
223.06227	1.3
243.03511	2.6
255.02927	3.1
256.03595	1.7
283.02432	1.5
285.03952	0.9
305.06696	7.8
332.98441	0.7
341.10953	1.3
352.52393	0.7
385.11401	2.2
423.07159	8.2
424.07941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0933
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
55.01875	0.7
57.03428	0.7
57.08954	0.4
59.01379	16.2
61.98827	2.1
64.57486	0.4
69.03463	0.6
69.38551	0.8
69.38945	0.8
71.01382	10.9
73.02941	2.6
77.30379	0.4
78.01110	0.6
79.01884	1.1
80.42730	0.4
81.03439	0.7
82.00636	0.4
83.01393	1.5
85.02946	5.1
87.00877	0.7
87.04500	0.7
89.02462	2.7
93.95169	0.4
95.01392	2.5
96.96005	1.3
97.02943	1.3
98.95612	0.8
99.00887	1.0
99.92598	3.7
100.93355	10.2
101.02445	5.1
107.01401	5.3
108.02187	4.4
109.02956	14.6
111.00883	1.2
113.02437	4.3
115.92075	14.7
116.92110	0.6
116.92866	3.7
119.03529	0.5
123.00882	10.4
123.04478	0.6
124.01664	9.7
125.02448	30.2
126.02774	0.6
127.00374	0.4
131.03558	0.6
135.81116	0.4
136.98837	0.5
137.02454	0.7
137.06117	0.5
139.00369	2.7
140.01151	2.6
141.01901	1.7
142.94426	0.6
143.03477	0.7
149.02486	0.5
150.03302	0.4
151.00380	9.0
151.04018	0.9
153.01944	1.4
161.04559	5.4
163.07635	1.0
165.02036	0.5
165.05536	0.5
168.00627	3.1
169.01421	39.1
170.01765	1.4
179.07036	0.6
201.11324	1.6
207.06636	0.8
211.02475	1.1
225.07658	3.0
226.96600	1.5
244.97586	1.5
253.03540	0.9
255.02902	0.6
261.00653	0.7
297.06281	0.9
307.08054	0.6
313.05673	7.0
314.06113	0.5
361.01364	0.7
361.05917	12.6
362.06195	1.5
363.16501	3.6
387.12985	2.1
423.09305	100.0
424.09628	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	423.0932
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
50.27538	0.4
55.01871	0.4
57.66901	0.3
59.01378	5.3
61.98824	0.8
67.01887	0.4
69.03448	2.9
69.30483	1.0
71.01380	4.0
72.04940	0.3
72.99296	0.5
73.02929	0.9
75.00890	0.4
79.01886	1.0
79.93879	0.5
81.03450	1.6
83.01389	2.5
83.05032	0.6
85.02932	2.1
87.00871	0.6
89.02454	0.7
91.01913	0.8
91.08540	0.3
93.03432	0.5
95.01380	1.0
97.02956	3.7
99.00857	0.7
101.02429	2.0
107.01429	2.0
108.02167	3.8
109.02951	33.3
109.06553	0.4
110.03285	0.8
111.00913	0.5
111.08150	3.7
113.02448	2.0
116.92931	0.5
118.92722	0.4
119.03511	0.5
121.02974	0.3
123.00925	2.4
123.04529	0.4
124.01663	8.3
125.02446	100.0
126.02787	2.7
135.00845	0.5
137.02452	1.0
145.03009	0.3
150.03235	1.1
151.00362	0.4
151.03978	0.7
152.01186	2.2
153.01941	52.7
154.02274	1.5
161.04524	0.3
165.05562	1.0
167.03482	1.2
173.08165	3.0
179.03468	0.8
182.33798	0.3
190.02693	0.5
195.02995	1.9
195.06676	1.0
198.44067	0.3
207.02994	0.5
225.04007	0.6
237.03992	0.7
243.12337	0.7
249.06172	0.6
255.05179	1.0
287.07715	6.0
288.08044	0.6
297.06140	34.7
298.06360	1.8
375.14523	0.4
379.18585	0.4
383.78464	0.4
387.12619	0.4
397.01657	0.3
423.09363	72.1
423.15155	7.4
424.09644	6.0
424.15234	0.7
431.35074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83801	11.4
58.53210	8.8
59.01375	38.8
70.12942	26.9
71.01364	12.9
79.35732	9.4
85.17606	10.3
96.33077	9.7
96.96006	12.6
101.02444	14.2
106.95033	9.7
114.00843	10.8
119.07355	11.5
119.91072	11.7
125.02452	15.9
125.09730	32.8
138.76947	10.3
153.02005	10.6
169.01312	10.3
169.84892	10.8
187.09770	21.9
208.99171	19.9
261.74460	10.1
285.03897	12.3
348.90161	9.9
423.17816	100.0
434.67487	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75729	6.7
59.01371	39.3
63.69232	7.3
64.34222	6.7
71.01365	23.1
71.22182	12.1
71.95773	8.0
72.99288	8.1
89.02467	13.6
90.09210	7.9
101.02430	11.6
101.77419	9.6
109.02960	8.4
117.60942	7.1
120.99685	11.4
125.02453	19.3
138.03169	13.4
153.21968	7.8
201.11230	16.1
225.11284	27.5
243.02914	14.3
255.02950	11.5
261.03922	7.3
360.78510	8.5
387.16489	18.8
423.07404	24.2
423.18430	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75729	6.7
59.01371	39.3
63.69232	7.3
64.34222	6.7
71.01365	23.1
71.22182	12.1
71.95773	8.0
72.99288	8.1
89.02467	13.6
90.09210	7.9
101.02430	11.6
101.77419	9.6
109.02960	8.4
117.60942	7.1
120.99685	11.4
125.02453	19.3
138.03169	13.4
153.21968	7.8
201.11230	16.1
225.11284	27.5
243.02914	14.3
255.02950	11.5
261.03922	7.3
360.78510	8.5
387.16489	18.8
423.07404	24.2
423.18430	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98848	19.9
69.20495	31.2
69.20901	54.3
69.29247	12.8
71.01369	38.8
85.87376	12.5
96.96004	32.2
101.02444	14.3
104.95921	13.6
107.50762	12.9
111.06251	13.1
113.02451	24.9
122.73441	12.8
125.02435	34.3
163.17227	13.5
173.06154	15.7
177.01927	16.2
183.01201	15.2
208.99100	51.3
210.10777	26.7
210.85460	12.5
232.10199	62.8
243.06500	17.3
255.03084	18.1
275.56982	13.2
284.67419	12.9
285.04150	25.6
297.00601	16.9
364.04874	13.3
423.03424	23.3
423.12140	25.5
423.17334	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81909	11.0
59.01375	100.0
61.98826	25.7
64.20613	12.4
69.49794	28.0
69.50150	24.2
71.01385	19.2
89.02414	13.7
98.37469	11.9
101.02403	13.0
104.30958	12.6
125.02436	17.6
137.02359	17.5
160.73717	11.6
171.04520	15.6
172.38922	14.5
174.03123	15.8
199.04008	40.4
217.05016	57.6
241.05115	16.7
312.94583	13.2
423.12244	13.2
423.17365	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81909	11.0
59.01375	100.0
61.98826	25.7
64.20613	12.4
69.49794	28.0
69.50150	24.2
71.01385	19.2
89.02414	13.7
98.37469	11.9
101.02403	13.0
104.30958	12.6
125.02436	17.6
137.02359	17.5
160.73717	11.6
171.04520	15.6
172.38922	14.5
174.03123	15.8
199.04008	40.4
217.05016	57.6
241.05115	16.7
312.94583	13.2
423.12244	13.2
423.17365	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90231	9.6
52.46846	10.2
57.03454	11.3
59.01159	8.6
59.01390	100.0
60.50909	8.6
61.98821	39.4
71.01378	18.7
71.44251	11.9
73.02954	11.5
74.99115	25.1
81.23919	9.8
100.00421	13.2
101.02367	13.9
109.02935	12.4
120.99664	26.2
125.02432	42.4
136.99113	27.4
139.20850	11.4
144.03027	15.5
151.00386	11.5
223.13330	26.8
271.11923	33.7
271.62573	9.8
311.87766	11.3
385.18561	76.3
386.19406	10.3
392.01459	11.7
423.17059	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96529	0.9
57.03453	1.9
59.01377	99.9
61.98829	8.7
66.33723	0.8
68.48084	1.1
69.83286	2.7
71.01006	1.4
71.01377	18.5
72.99300	0.9
73.02949	7.1
75.00871	1.6
81.03468	0.9
83.01378	3.6
85.02941	7.5
87.00873	2.7
89.02441	9.9
95.01375	1.6
96.65984	0.8
96.95991	2.5
98.95603	1.1
99.00880	1.7
99.92579	2.2
100.93353	12.4
101.02439	14.5
101.93406	1.1
107.01385	1.2
109.02946	4.8
113.02458	7.9
115.92077	19.9
116.92851	3.8
119.03491	3.8
123.00877	3.5
124.01658	3.4
125.02439	7.2
135.02988	3.4
139.00362	1.1
142.94432	1.4
143.03506	1.0
149.02383	1.4
151.00323	2.0
151.03972	1.4
153.01892	2.0
154.32851	0.8
161.04536	3.8
163.07637	1.8
165.01884	2.4
166.49316	1.0
169.01430	9.5
179.03442	2.1
179.05627	0.9
179.07098	3.0
180.04152	1.7
195.06631	2.0
201.11331	5.0
207.06573	2.4
207.35342	1.0
217.01405	1.2
223.06081	1.8
224.06908	1.3
225.07652	7.6
226.96426	2.0
244.97546	1.7
245.00764	1.1
301.10913	1.1
313.05469	1.6
353.68527	1.0
361.05951	15.2
362.06097	1.2
363.16574	100.0
364.16922	6.2
381.55051	0.8
385.11234	2.0
387.12762	6.0
423.09360	24.1
423.17358	3.5
441.35928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84613	1.9
51.91418	1.6
52.66933	1.7
59.01378	100.0
71.01377	3.9
71.43851	2.1
71.44728	2.0
75.46943	1.7
99.63902	1.9
101.28899	2.0
111.33866	2.3
116.97350	2.0
126.48721	1.8
127.12355	2.0
151.01161	2.0
156.38940	2.0
206.85016	1.8
261.93091	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.1
61.98811	0.9
69.24442	1.9
69.24841	2.5
71.01390	2.8
71.88657	0.7
72.80955	0.8
73.02972	1.4
85.02936	0.8
92.79039	0.7
100.14243	0.8
101.02449	2.2
109.50397	0.8
113.02495	0.9
120.08769	0.8
124.71447	0.7
141.22871	0.8
156.37788	0.8
161.04536	1.3
191.14389	2.7
251.12860	3.0
254.70471	0.9
291.76791	0.8
343.04065	2.8
381.22879	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	423.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14684	0.3
57.28802	0.3
59.01364	0.3
61.27781	0.3
61.98806	0.5
77.88069	0.3
79.52200	0.3
107.79433	0.3
110.71791	0.3
115.33245	0.3
125.44673	0.3
136.22382	0.3
137.02408	0.6
137.80208	0.3
138.03221	1.0
139.03983	2.5
153.01912	1.3
165.01933	0.4
166.02673	0.9
167.03488	9.2
168.04277	0.8
168.39853	0.3
177.40247	0.3
179.03497	1.2
181.05025	0.7
233.11876	0.5
237.11314	0.6
249.11279	0.4
251.12883	0.6
252.13422	0.3
263.12845	0.7
279.12225	0.3
280.13229	0.4
281.13898	0.4
305.13916	0.5
309.13379	0.5
315.13443	0.3
321.20688	0.6
323.14825	0.6
323.18448	0.4
337.20300	1.5
347.18585	1.3
348.19360	2.3
349.20114	4.2
351.18002	0.7
365.16034	0.2
365.19647	10.1
366.20419	100.0
367.20773	8.3
381.22784	0.7
408.21466	12.2
409.21976	0.9
423.23862	29.2
424.24173	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	423.2749
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
50.49961	1.6
55.60067	1.7
55.86885	1.4
57.03435	5.1
59.64188	1.6
69.58611	4.4
71.01382	6.7
78.95901	2.8
80.02685	2.7
81.96161	1.8
83.05017	2.0
91.65350	1.6
95.05058	3.1
97.06588	5.6
107.05032	32.2
107.05717	3.2
107.08651	3.4
108.02167	8.3
111.08125	4.7
113.06107	1.9
121.06560	1.6
123.00895	2.5
123.08154	22.6
125.06071	16.7
125.09717	15.3
126.79111	1.5
136.05296	4.7
137.02406	1.8
139.07622	11.7
141.09201	25.8
151.07639	54.8
152.04759	5.8
152.08015	2.6
152.99577	4.2
167.07135	5.3
169.05031	2.2
169.08688	20.3
209.19084	4.8
211.20628	4.5
220.81573	1.6
225.22221	26.3
227.20157	9.0
252.64862	1.7
253.21695	13.9
255.23343	6.9
255.92351	2.5
263.20078	9.6
264.20923	2.7
279.26920	7.7
281.21268	20.8
284.31290	1.8
291.27048	4.5
307.26392	7.9
307.30139	6.9
317.28436	16.5
333.27927	14.3
334.28098	2.0
335.25842	14.7
335.29565	38.7
336.29956	2.8
351.28986	2.1
361.27438	21.9
362.27762	3.0
379.28757	9.1
423.10562	14.3
423.27518	100.0
424.27844	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	423.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78347	12.1
58.39777	10.9
61.98812	30.2
72.23481	10.0
78.95906	30.9
92.87231	11.6
94.81944	11.4
109.80127	11.5
152.99522	32.0
225.14812	11.1
232.10300	12.1
255.23230	82.6
321.20657	29.1
322.21011	34.2
330.20798	19.7
331.18982	17.1
339.83441	14.0
358.20212	100.0
423.09592	19.2
423.24960	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	424.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52859	0.4
59.38740	0.4
61.98820	0.9
70.99532	0.8
78.01105	12.9
83.05015	0.9
110.00100	0.5
111.00876	1.2
131.73602	0.4
137.99530	0.5
139.00342	1.3
169.06058	1.1
179.18047	3.2
193.15933	1.8
195.17523	36.0
196.17842	1.9
205.45572	0.4
207.17508	0.7
219.17525	66.0
220.17874	3.9
239.16435	0.7
251.05179	0.4
251.16519	19.2
252.17007	1.6
279.16000	5.8
280.16452	0.5
281.17490	0.6
289.14737	0.4
297.17062	7.1
307.15540	1.1
321.94492	0.4
339.18097	100.0
340.18439	6.9
424.04364	1.3
424.15866	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	424.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25087	13.8
50.45178	14.0
57.46854	15.4
59.01367	80.0
60.78771	14.3
61.98828	100.0
69.38689	19.7
69.39085	50.1
71.01388	22.0
73.53825	15.9
79.72800	15.1
82.95421	25.9
89.02416	21.9
98.22639	28.3
113.65487	15.9
127.67309	17.1
146.92714	17.0
397.66974	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	424.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
57.03442	1.0
57.84677	1.1
59.01380	27.7
61.98816	2.0
66.03146	1.0
69.38099	4.6
71.01381	29.8
73.02947	17.7
76.18163	1.1
80.13709	1.1
83.01385	5.5
85.02953	15.9
87.00861	1.0
89.02458	6.1
95.01395	2.3
97.02949	1.3
99.00867	5.3
101.02445	34.8
111.00877	1.7
113.02454	13.1
114.99627	0.9
119.03499	1.0
125.02461	2.3
131.03529	1.8
143.03508	1.4
159.02998	2.7
161.04520	11.2
201.11340	1.2
207.13066	1.1
226.37941	1.2
249.13423	37.2
250.13901	1.2
381.17651	100.0
382.18018	8.4
387.16568	1.7
388.16937	2.3
424.18979	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	424.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14297	1.6
65.01448	9.6
69.55840	6.9
71.17371	2.0
91.13349	1.9
161.01190	34.5
162.03220	4.4
177.89781	1.9
216.35399	2.0
218.05711	2.3
246.22272	2.1
303.19574	16.9
321.20764	6.5
330.20682	41.0
331.18912	12.9
358.20218	100.0
359.20441	11.4
424.22461	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	424.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.23210	1.3
71.80759	0.6
98.21935	0.6
109.43446	0.6
129.27847	0.8
136.05336	1.1
137.82568	0.7
143.49030	0.6
149.06155	1.8
153.79018	0.5
155.78401	0.7
158.84593	0.7
176.79814	0.6
194.40433	0.6
194.80461	0.6
206.38332	0.6
298.21622	0.7
350.20660	0.9
396.22571	1.1
424.22122	5.6
425.27145	8.4
436.72101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.38669	0.3
68.24584	0.3
69.54043	1.2
81.03454	2.3
107.01368	0.4
122.03769	0.4
125.02451	1.4
146.16104	0.3
151.59259	0.3
161.01187	0.6
171.13123	0.3
182.94888	0.3
196.93512	0.3
256.23605	0.4
275.23621	0.4
277.21780	1.1
303.19696	0.4
317.21338	0.5
317.24829	6.0
317.28369	0.6
318.25223	0.6
328.21350	0.3
330.20795	1.2
331.19235	0.4
346.95462	0.3
358.20258	3.0
361.23819	31.6
362.24176	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	424.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23425	0.5
52.89986	0.5
55.60826	0.5
56.50418	0.5
61.98826	100.0
70.94579	0.8
71.06328	0.5
78.46822	0.6
82.78194	0.5
89.81866	0.5
92.47034	0.5
113.01906	0.5
124.72812	0.6
195.17535	1.5
212.94792	0.6
219.17558	2.4
234.77847	0.4
254.90591	0.5
339.18256	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	424.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81831	0.7
57.02135	0.7
59.01368	0.8
59.22322	0.8
61.98826	100.0
66.94643	0.8
69.31117	4.8
127.87016	2.1
153.84744	0.9
285.43927	1.0
397.80728	1.0
424.10876	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	424.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32663	1.3
56.59607	1.4
61.98817	3.7
65.99837	2.0
66.03477	1.3
68.99800	2.8
71.44188	1.3
71.62794	1.1
75.00819	1.3
80.05038	5.6
81.03430	2.6
87.73815	1.7
93.99364	1.9
96.04528	3.0
103.05353	1.2
107.03749	2.0
108.02202	2.2
108.04549	16.6
109.01677	5.4
114.02366	1.2
120.24316	1.3
122.02464	5.3
122.03736	3.8
123.00887	7.9
124.00370	3.7
124.04041	6.9
136.01732	1.7
136.04070	1.7
138.01936	6.8
147.03172	1.4
153.01917	1.4
164.03583	1.2
166.04979	1.4
172.63745	1.3
179.05803	2.9
181.01389	1.8
195.17577	7.2
207.05331	3.0
209.19139	1.8
218.19148	3.5
221.19044	1.8
223.20576	2.0
236.20186	2.9
249.18570	1.7
250.18166	8.3
251.16449	6.4
251.20123	3.4
254.99370	1.6
260.23834	3.8
262.21759	1.6
263.16385	7.5
274.21582	2.0
276.23300	19.2
277.16724	1.6
277.21701	11.4
278.17606	16.3
279.18390	1.8
293.21222	1.8
297.16943	2.2
302.21207	4.9
304.22833	60.6
305.23105	2.6
309.19516	1.5
320.22266	16.9
321.22824	1.6
334.23859	1.3
336.25381	9.9
338.19623	11.5
348.21765	100.0
349.22256	7.6
351.59573	1.5
362.23370	3.7
364.21240	5.3
364.60648	1.4
380.24487	1.6
392.20810	13.9
393.20996	1.6
424.23380	91.4
425.23590	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	424.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.49328	1.7
214.85631	1.5
313.32010	1.7
340.81836	1.6
386.07092	4.1
411.99658	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	425.038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68567	0.5
59.01372	2.2
61.98816	0.7
65.08650	0.4
69.33755	2.2
71.01373	0.9
77.02930	0.5
78.95902	22.6
79.95728	3.4
89.02454	0.5
94.57957	0.5
96.96005	100.0
96.96955	40.7
101.02444	0.7
113.89249	0.5
117.78645	0.5
142.97694	0.5
192.00636	4.1
193.01463	1.1
199.90402	0.6
207.02925	1.3
221.98360	0.9
234.01671	1.9
247.96375	2.2
248.97105	1.1
249.03851	0.5
263.45279	0.6
263.95844	0.9
289.97452	6.4
290.98169	0.7
293.97141	0.5
301.97455	0.7
302.97980	0.6
312.04816	1.1
320.99118	0.9
327.07178	4.3
402.89255	0.5
410.01657	1.1
425.04016	9.8
425.09021	0.7
426.04309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.2
61.98817	0.8
66.70662	0.5
70.98919	0.6
71.01380	4.4
78.95905	17.0
79.95741	2.8
89.02435	6.9
96.96006	100.0
96.96960	34.0
100.00362	0.7
101.02451	2.7
101.90167	0.5
113.02447	2.2
119.03514	2.0
131.51799	0.6
137.77196	0.6
142.48502	0.5
144.03073	0.9
161.04582	0.9
164.01244	0.6
166.02621	0.6
179.05609	4.5
190.02635	0.8
192.00633	10.1
193.01357	2.0
194.02141	1.0
205.01476	0.8
207.03008	2.3
234.01717	2.5
247.96404	4.3
248.97215	1.9
249.04083	1.4
253.97307	0.7
262.95105	1.1
263.95786	1.8
279.99167	0.7
289.97412	15.3
290.97946	1.5
293.96939	0.6
305.96884	2.2
306.76001	0.6
312.05011	1.5
320.99289	2.3
327.07190	9.1
365.17990	0.8
410.01379	1.4
424.98672	1.3
425.04047	21.7
426.04425	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	425.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
63.56958	0.4
69.39085	1.3
69.39484	0.8
71.01382	3.0
73.02968	0.5
78.95901	8.1
79.95728	3.1
80.96507	3.1
81.83517	0.4
82.95402	3.2
83.01389	0.5
85.02956	0.9
87.00883	0.9
89.02457	0.6
95.01382	0.6
96.96007	100.0
96.96928	17.7
97.95965	0.5
99.00861	0.7
101.02449	1.4
108.40073	0.4
109.02950	0.7
113.02478	0.5
122.97543	0.4
124.01641	3.0
125.02433	1.6
137.02448	1.2
138.97066	8.4
139.03990	1.9
143.03596	0.4
150.97046	1.0
151.03998	0.6
161.04527	0.5
164.98589	0.7
165.01791	0.4
167.03510	0.4
168.00639	4.0
168.98058	0.9
172.31111	0.4
179.03552	0.4
180.97987	0.6
183.02974	10.2
183.04512	0.9
190.02777	0.5
192.00658	5.8
193.01376	3.6
194.02159	1.2
203.03246	0.6
206.02170	0.4
207.02986	2.2
214.96402	0.4
222.01718	0.6
222.99156	1.8
234.01653	1.6
241.00215	62.4
242.00549	1.9
247.96368	2.8
248.97116	1.3
249.04028	0.8
262.95090	0.9
263.95740	1.2
276.96667	0.4
289.97427	9.7
290.97897	1.0
303.98776	0.5
304.96069	0.5
305.06638	1.4
305.96991	0.9
309.96307	0.5
312.04807	1.1
313.05551	1.4
317.96933	0.6
320.99368	0.4
321.96466	0.5
327.07190	6.4
328.07602	0.5
335.98105	0.6
345.08072	0.6
365.17999	0.9
407.08051	1.0
410.01538	1.3
425.03940	41.2
426.04337	3.3
428.59988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
62.97023	0.4
69.51472	1.9
81.02979	0.4
81.03461	1.5
82.95421	0.7
83.01384	2.3
93.03464	0.6
95.05038	1.5
97.02948	2.5
98.21759	0.5
98.99651	0.4
108.02175	2.4
109.02946	67.1
110.03289	1.4
121.02953	1.4
123.04535	7.0
125.02439	20.3
135.04518	1.3
137.02441	8.8
138.03136	0.6
139.03981	1.7
142.23831	0.5
145.02942	3.4
146.03761	1.2
147.04610	0.6
149.02454	3.1
150.03157	0.5
151.03989	6.1
153.01929	100.0
154.02232	2.2
157.06624	0.5
159.04457	2.1
160.05246	0.7
161.02493	0.6
161.06096	3.4
162.03152	0.7
164.01146	1.6
165.01924	3.5
167.03539	0.6
175.04016	1.2
175.07666	1.0
177.01912	0.8
179.03490	2.9
183.04488	0.9
185.06091	1.1
187.04008	2.7
188.04796	2.3
189.05544	0.6
199.07596	0.5
203.07130	6.3
205.05026	3.7
212.04968	0.6
221.08156	1.5
227.07079	1.7
228.30211	0.4
229.05070	0.5
243.06700	0.5
245.08145	9.6
246.08504	0.8
253.05029	1.2
271.06049	7.2
275.05551	2.0
287.05511	0.9
289.07162	58.3
290.07541	3.5
315.05066	0.6
343.13693	0.5
425.08804	4.8
428.35434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.6
59.01380	2.3
61.81731	0.3
65.03950	0.8
67.01885	0.6
69.03452	0.7
69.37553	1.4
69.98804	0.4
71.01378	0.8
74.97664	0.4
81.03451	3.0
82.95416	0.5
83.01380	2.9
83.23254	0.4
84.21445	0.4
89.02440	0.8
92.18172	0.4
93.03451	1.1
95.01336	0.5
95.05038	2.0
96.96019	0.7
97.02957	2.8
99.04469	0.5
101.02430	0.4
105.03434	0.7
107.01426	0.4
107.05028	0.6
108.02155	2.8
109.02951	81.2
110.03297	1.1
111.00881	1.3
113.02441	0.7
121.02966	2.5
122.03749	0.7
123.04527	7.3
125.02444	48.0
126.02712	0.9
130.04184	0.4
131.04999	0.8
133.02937	0.5
133.06555	0.6
135.04530	1.2
137.02443	17.5
137.03497	0.9
138.02795	0.5
139.03995	3.0
143.05005	0.5
144.05829	0.5
145.02954	10.4
145.06628	0.9
146.03716	2.2
147.04520	1.5
149.02438	7.7
150.03191	0.8
151.04005	5.6
153.01933	100.0
154.02278	3.2
157.06570	0.7
159.04510	4.6
160.05272	0.8
161.02444	2.0
161.06064	5.4
162.03178	0.5
163.03990	1.2
164.01199	2.2
165.01939	4.4
165.05540	0.6
167.03519	0.9
170.35068	0.4
171.04488	0.4
173.06038	1.1
174.03218	1.0
175.03996	2.5
175.07652	1.3
177.01967	2.1
177.05571	0.6
179.03508	3.3
183.04521	0.9
185.06090	3.3
187.04013	4.0
187.07602	0.6
188.04791	2.7
189.05566	7.2
191.03474	4.0
195.07449	0.4
199.07651	0.5
201.05547	1.5
202.06339	1.2
203.07146	8.0
205.05025	3.8
207.06622	1.5
211.03999	0.8
213.05522	1.2
215.03561	1.0
219.13835	0.5
221.08211	1.8
225.05569	0.7
227.07141	2.6
229.05066	2.0
230.02061	0.7
231.06552	0.8
233.04515	0.6
243.06664	0.7
245.08174	8.9
247.06128	0.8
253.05060	4.9
256.03824	0.9
257.04654	1.8
259.06027	0.8
271.06110	19.9
272.06485	1.2
273.44431	0.5
275.05612	19.3
276.06003	0.8
285.04141	0.4
287.05551	1.9
289.07175	51.7
290.07474	2.6
303.17880	0.4
307.15726	0.5
339.08752	1.0
363.08655	0.9
381.09790	0.8
407.07498	0.5
425.08826	10.1
425.17667	2.1
426.09012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0879
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
57.03445	14.0
59.01364	1.2
69.28869	2.0
71.01398	0.7
81.03447	2.3
83.01385	4.4
85.02941	0.4
88.15580	0.4
90.66299	0.4
93.03452	14.8
94.03782	0.4
95.05029	2.3
96.96017	0.5
105.03454	4.2
109.02943	2.4
111.04487	1.8
113.02497	0.4
121.02944	1.0
123.00870	1.2
124.01661	0.9
125.02440	100.0
126.02768	2.6
131.05026	0.4
133.02968	0.8
135.04448	0.5
137.02437	24.3
138.02959	0.6
139.03963	3.0
149.02530	0.4
149.06068	0.7
151.03989	0.7
160.01637	0.5
161.02438	37.0
162.02899	1.3
164.01134	1.4
165.01918	6.4
166.02632	0.5
166.06403	0.5
167.03503	4.4
173.06058	0.4
175.04054	1.1
177.01920	0.7
177.05557	3.8
179.03497	4.2
191.07156	0.6
201.05554	2.1
203.03505	0.7
207.06577	0.4
210.05348	1.1
210.10765	0.3
219.06633	3.3
221.04565	1.5
221.08173	0.4
225.05606	0.7
225.07645	1.1
227.03522	1.2
243.06621	1.1
245.04536	0.5
259.03534	0.4
259.06104	0.8
261.07657	1.0
269.02026	0.4
269.04556	2.5
287.05615	7.1
288.05884	0.6
304.21381	0.4
305.06635	24.3
306.06995	1.5
425.18542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0878
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
57.03449	3.1
59.01370	1.9
65.03954	0.8
69.33015	0.9
69.33415	1.7
71.01366	0.8
72.32120	0.5
81.03450	0.9
83.01385	1.6
93.03455	62.6
94.03801	2.1
95.05031	1.3
96.96017	0.9
97.02937	0.8
98.21883	1.0
101.02430	0.7
105.03447	1.1
109.02942	1.7
111.04503	1.2
120.92635	0.5
123.00880	0.7
125.02442	30.7
126.02821	0.6
131.04999	0.5
135.04518	0.8
135.73907	0.5
137.02443	100.0
138.02811	2.8
139.03995	3.4
140.04250	0.5
159.87302	0.4
161.01123	0.5
161.02446	7.6
164.01166	0.9
165.01913	3.1
165.75084	0.4
167.03529	2.3
173.06082	2.2
177.05580	1.7
179.03458	2.0
197.06119	1.0
199.03943	0.7
201.05525	0.8
201.12834	1.2
204.04379	0.6
215.07127	0.5
219.06624	1.8
221.04509	1.2
221.08185	0.8
225.05582	0.5
227.03503	0.6
241.05151	0.8
243.06541	0.7
259.06088	7.0
260.06604	0.6
261.07562	0.5
269.04559	1.3
287.05496	1.3
289.07440	0.6
305.06665	19.4
306.06992	1.2
340.90775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51004	1.4
59.01378	66.2
59.22498	1.7
61.98829	11.0
63.43120	2.0
69.59980	6.9
71.01383	26.7
72.00909	19.8
73.02921	7.8
74.99134	1.9
83.01372	2.9
83.61821	1.4
85.02968	7.9
86.09775	1.6
89.02448	26.1
95.01396	1.7
96.96001	3.0
99.00911	3.0
100.00407	100.0
100.04063	6.6
101.02442	14.9
106.98050	1.5
113.02472	9.6
119.03497	8.5
123.04593	1.5
124.01653	2.1
125.02426	10.3
126.84408	2.0
128.03522	2.5
129.87312	1.5
131.03464	2.6
136.07671	4.8
137.02432	1.8
144.03027	97.6
149.02443	3.1
149.04573	6.5
150.01714	4.4
160.50536	1.6
161.04530	5.0
163.07596	1.8
166.94492	1.6
167.04417	2.0
177.01947	16.2
179.05615	4.6
181.06003	4.5
192.00638	3.4
192.04294	21.6
203.12819	2.5
207.06607	69.4
208.06898	5.6
221.05466	2.2
225.07709	5.2
238.08083	2.6
279.84433	1.8
289.97424	5.7
297.06497	1.8
309.07657	2.1
319.12946	3.4
328.05826	25.0
365.18106	27.6
379.16034	15.7
387.12680	9.4
425.03967	11.6
425.09363	3.8
425.14542	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1455
Annotation	Praeroside VI
Peak:m/z	Relative Intensity
59.01380	1.6
60.99307	0.5
67.89442	0.3
71.01380	0.6
75.00887	0.3
77.75107	0.3
79.05525	1.3
81.03457	22.6
82.03828	0.4
88.98813	3.8
93.03464	0.5
95.05024	7.0
98.21847	0.9
122.03753	0.5
123.04527	100.0
124.04849	3.0
128.19296	0.3
135.08153	0.6
135.49539	0.3
139.04051	0.5
149.02460	1.4
159.08176	0.6
161.06052	0.4
164.47264	0.3
175.04018	1.0
175.11272	0.8
177.01848	0.4
177.05556	0.6
177.09201	3.3
191.07153	0.8
198.65186	0.4
201.09245	2.6
203.07091	0.9
206.45816	0.3
219.10249	10.7
220.10652	0.5
223.22607	0.4
245.08189	4.8
246.08669	0.4
263.09241	78.0
264.09579	5.0
287.09229	1.1
305.06805	0.4
305.10349	0.5
425.14539	22.4
426.14880	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	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
65.03960	0.7
71.07736	0.3
73.02942	0.6
85.19942	0.2
93.03458	51.9
94.03803	1.0
113.82438	0.2
137.02444	100.0
138.02766	2.9
159.08249	0.2
234.90485	0.1
259.91544	0.2
300.69147	0.2
360.16177	0.2
425.14554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01776	0.8
55.41780	0.8
60.09769	1.0
68.03886	1.0
71.42543	1.1
78.01096	6.2
99.92587	3.7
115.92072	1.1
116.92844	2.0
118.89980	3.0
125.99600	5.7
137.99576	4.7
139.00359	3.4
154.39674	1.1
195.17549	9.0
196.17824	1.4
197.19098	1.4
219.17531	14.9
220.17821	2.0
225.18591	1.0
251.16508	7.7
279.16016	24.3
280.16360	1.5
281.17575	100.0
282.17868	6.5
295.15649	1.0
307.15536	7.3
325.16550	34.0
326.16733	2.8
340.18246	1.7
426.09055	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	425.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26570	0.4
57.22713	0.4
59.01379	100.0
60.01723	0.8
61.34893	0.4
69.26149	1.7
69.26564	0.7
71.01381	2.5
73.02975	0.9
85.02963	0.6
86.43558	0.3
101.02460	1.1
113.02480	1.0
139.68181	0.4
196.90901	0.4
210.54128	0.4
263.13028	0.5
341.63116	0.4
371.04968	0.5
424.39493	0.4
444.50897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1816
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
51.91376	1.5
55.01875	2.1
57.03436	6.4
59.01376	20.1
63.76552	1.5
64.49812	1.5
69.18393	4.7
69.18815	5.0
71.01385	13.1
73.02932	3.4
73.36083	1.5
75.00838	1.7
75.58023	1.5
81.03423	2.6
83.01375	3.9
85.02934	7.1
89.02431	3.1
93.03398	1.7
93.22060	1.6
95.01379	2.5
96.95985	5.1
97.02961	9.5
98.22618	3.6
101.02422	4.8
101.94830	1.5
105.07105	5.6
107.05029	3.9
108.05822	8.3
109.02950	9.8
109.06586	2.8
111.04533	8.6
113.02461	10.4
113.06081	8.4
117.05566	8.2
119.03497	1.8
119.05022	8.5
119.08627	1.9
121.06628	2.0
122.03724	4.8
123.04510	4.7
123.08157	7.5
125.02442	29.7
125.06071	23.7
135.08118	3.3
136.05278	7.4
137.02411	9.3
137.06065	3.0
138.06866	9.9
139.07649	29.1
145.02933	5.0
145.06548	2.4
147.08139	2.3
148.05312	3.5
149.02431	1.9
149.06113	7.7
151.04066	2.3
151.07631	59.5
152.04799	7.4
152.08443	22.6
153.09209	16.6
159.04416	1.9
159.11809	1.9
161.02402	3.0
161.06079	2.8
161.09685	6.0
163.04001	6.6
163.07652	9.0
167.07126	3.6
175.03999	1.4
177.30858	1.5
178.40854	1.5
179.03578	1.6
186.10542	1.9
189.05539	2.4
189.09264	3.6
201.12827	19.7
201.29922	1.8
202.13075	2.0
203.07124	5.2
203.10747	10.2
204.11526	36.1
218.26180	1.6
219.13876	56.9
220.14194	2.7
221.08249	2.6
225.11369	1.9
228.11505	3.9
243.13863	6.2
245.08299	4.2
245.11798	11.6
253.04933	4.5
263.12857	100.0
264.13141	7.0
267.63681	1.6
271.06113	21.3
287.12827	11.6
289.07114	24.0
305.13928	4.9
307.15411	2.7
389.12448	2.8
425.09814	2.7
425.17923	23.2
426.18774	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03468	1.3
59.01377	74.2
61.98830	6.2
71.01379	25.5
72.00910	17.5
73.02957	5.5
75.00921	1.2
83.01384	2.2
85.02948	10.4
87.00890	2.3
87.04530	1.4
88.98786	1.8
89.02443	21.7
95.01346	2.1
96.96002	3.0
97.06615	1.3
99.00874	4.4
100.00405	100.0
100.04052	6.5
101.00705	1.1
101.02441	23.2
113.02452	13.4
119.03490	9.3
124.01653	3.6
125.02415	4.7
128.03564	2.1
131.03481	1.2
135.08141	2.2
136.07661	1.5
136.76660	1.1
143.03455	1.8
144.03024	82.7
145.03339	1.2
148.06258	2.0
150.01680	1.7
161.04565	14.7
163.07660	10.5
177.01875	5.5
179.05595	3.5
179.07047	2.1
181.05998	2.0
181.08690	2.9
192.04253	6.2
203.12868	4.9
207.06624	27.4
209.07161	1.2
225.07675	28.4
226.07970	1.8
227.08257	1.6
238.07907	1.6
289.97482	1.4
293.15665	1.3
294.06970	1.3
328.05853	16.8
365.18140	68.3
366.18433	4.9
379.16010	3.7
387.12845	23.1
387.16394	1.5
388.13120	1.6
389.13611	2.1
425.03564	2.4
425.09286	2.5
425.15039	1.3
449.12378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	8.3
64.15799	1.1
69.46532	5.0
71.01381	29.8
72.99293	1.3
73.02950	11.9
75.00861	2.1
80.80547	1.1
83.01413	4.1
85.02951	13.4
87.00853	1.6
89.02436	15.6
90.14874	1.1
93.65693	1.1
95.01384	2.5
96.96009	1.3
98.21883	2.1
99.00887	3.9
101.02444	27.8
113.02449	14.9
119.03505	5.5
125.02466	2.0
143.03500	1.2
153.51224	1.2
159.02995	3.4
159.10303	2.2
161.04553	19.6
163.07654	9.0
178.69949	1.3
179.05579	2.8
181.08672	3.6
203.12852	3.7
207.06683	4.9
225.07668	23.2
226.08064	1.5
227.08311	1.5
263.03268	1.5
328.05450	1.5
365.18140	89.1
366.10184	1.6
366.18466	7.0
387.13037	13.7
389.13550	2.1
425.07706	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	425.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03468	1.3
59.01377	74.2
61.98830	6.2
71.01379	25.5
72.00910	17.5
73.02957	5.5
75.00921	1.2
83.01384	2.2
85.02948	10.4
87.00890	2.3
87.04530	1.4
88.98786	1.8
89.02443	21.7
95.01346	2.1
96.96002	3.0
97.06615	1.3
99.00874	4.4
100.00405	100.0
100.04052	6.5
101.00705	1.1
101.02441	23.2
113.02452	13.4
119.03490	9.3
124.01653	3.6
125.02415	4.7
128.03564	2.1
131.03481	1.2
135.08141	2.2
136.07661	1.5
136.76660	1.1
143.03455	1.8
144.03024	82.7
145.03339	1.2
148.06258	2.0
150.01680	1.7
161.04565	14.7
163.07660	10.5
177.01875	5.5
179.05595	3.5
179.07047	2.1
181.05998	2.0
181.08690	2.9
192.04253	6.2
203.12868	4.9
207.06624	27.4
209.07161	1.2
225.07675	28.4
226.07970	1.8
227.08257	1.6
238.07907	1.6
289.97482	1.4
293.15665	1.3
294.06970	1.3
328.05853	16.8
365.18140	68.3
366.18433	4.9
379.16010	3.7
387.12845	23.1
387.16394	1.5
388.13120	1.6
389.13611	2.1
425.03564	2.4
425.09286	2.5
425.15039	1.3
449.12378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	0.8
62.61205	0.7
65.01458	0.9
69.40528	0.6
69.54227	1.4
69.54604	1.1
70.61884	0.8
73.11904	0.7
92.92807	1.0
98.22706	0.9
106.75423	0.7
116.92759	0.7
139.03964	0.9
154.01723	0.9
167.03468	6.4
178.61134	0.7
179.03455	1.0
219.10301	3.0
236.10567	1.0
237.11354	1.9
258.45886	0.8
263.16437	0.8
279.16080	1.2
290.15329	0.8
291.16040	14.3
293.17569	8.4
305.21091	1.0
331.19183	10.7
332.19907	100.0
333.20279	7.4
374.20969	13.9
383.07022	1.8
387.07538	1.2
389.23315	48.1
390.23660	4.6
407.17038	0.9
425.18814	1.0
425.27014	4.3
426.27878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64716	1.3
58.75738	1.6
61.98810	1.3
63.81721	1.4
65.23279	1.3
69.63670	5.1
88.05821	1.4
91.59396	1.5
97.02934	1.7
105.06989	1.7
109.02934	1.6
109.06621	1.4
118.19856	1.6
120.89636	1.7
122.03734	14.3
123.00941	1.6
123.04508	4.5
135.04503	9.1
135.71741	1.6
136.05293	4.6
143.48242	1.6
148.65199	1.4
149.06129	7.8
151.04008	2.2
153.05577	5.8
227.03670	1.6
241.90610	1.9
249.85457	1.6
273.18527	1.9
273.89716	2.2
283.09778	2.1
361.27371	2.3
371.25827	2.0
381.28030	2.3
382.07571	3.5
383.07190	18.2
389.26947	23.2
390.10052	1.7
390.27457	2.9
397.23611	3.6
425.27032	100.0
426.27393	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	425.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54332	11.6
69.54750	6.6
78.47054	3.4
89.71310	3.9
96.43801	3.8
96.96021	7.5
102.18510	3.5
116.92827	6.1
123.04496	4.5
137.06082	3.4
138.03246	10.8
142.29591	5.0
151.01910	3.8
151.04010	11.4
152.04816	4.5
165.05649	3.4
182.52539	4.0
232.57338	3.6
254.06329	4.1
346.25116	47.9
347.25861	100.0
348.26254	6.4
389.26944	96.3
390.27362	11.8
406.84924	4.7
425.25787	14.0
426.15869	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	425.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75764	12.9
61.98805	18.9
69.39595	67.7
73.72213	12.6
116.92904	16.7
118.78601	13.6
118.89966	100.0
119.89973	54.7
119.90807	14.3
120.89699	50.7
127.63889	12.9
136.72298	14.7
158.80260	14.9
168.46548	14.1
180.56914	14.2
349.23975	15.0
389.17117	37.8
425.15115	75.7
426.14682	25.8
438.11624	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	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	4.0
71.43097	2.0
74.40390	1.6
92.92808	2.1
116.37792	1.7
125.87265	3.4
127.11345	1.8
131.98116	1.7
152.17863	1.6
153.01947	3.0
160.84258	5.0
180.28983	1.7
202.12491	2.4
249.22226	76.3
250.22588	5.7
265.25455	3.7
293.21664	2.2
293.24786	9.1
305.24683	2.2
321.20715	100.0
321.24240	9.1
322.20984	7.5
349.23767	13.3
390.00717	5.1
425.25903	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	425.2696
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
55.01864	1.8
57.72477	0.7
59.01368	1.3
61.98838	5.7
66.30088	0.7
68.66292	0.9
70.19518	1.5
79.98112	1.2
81.03455	3.4
85.36092	0.8
122.03729	2.6
123.04520	8.2
135.04501	6.2
136.05293	2.4
145.19592	0.8
149.06165	1.9
166.21848	0.8
169.19106	0.8
192.95888	1.1
243.90257	0.8
275.10162	0.7
289.21719	3.1
308.99286	0.9
335.71893	0.9
355.26401	1.0
381.28009	6.5
383.25757	2.3
415.70261	1.1
425.26978	100.0
426.27286	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	426.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.3
60.01699	0.9
85.02939	0.8
99.98928	3.3
108.22948	1.0
110.64229	1.0
111.02045	1.5
138.93677	1.7
141.99959	90.7
143.00050	4.0
143.07867	0.8
184.01009	36.5
185.01131	1.7
201.02544	9.6
202.02657	7.4
217.63382	0.9
239.93925	1.1
242.00052	1.8
281.95251	2.4
282.94839	1.7
284.01123	100.0
285.01257	11.7
344.03815	3.7
357.66440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.6
61.98819	25.0
69.26992	35.9
71.01384	18.7
73.10773	8.2
73.11150	10.3
74.83087	9.3
84.27483	8.7
85.02943	8.8
92.13219	7.9
96.53944	8.0
96.96012	85.2
98.22675	16.5
113.02439	9.5
117.51581	9.3
121.79130	7.7
123.04517	11.8
124.01649	13.8
137.02448	9.6
153.41931	9.3
219.13821	11.9
220.14140	11.7
222.12094	16.5
223.13342	26.4
263.12985	17.8
264.13318	35.1
265.14487	100.0
322.30231	9.2
366.16257	9.1
367.17432	14.4
385.18390	14.7
427.10773	75.5
427.19608	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	426.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24333	1.8
50.90156	1.8
51.17023	1.5
61.98825	100.0
63.48642	1.7
69.51449	7.8
80.19652	1.7
98.22766	2.1
107.04999	1.9
122.81414	2.2
123.04506	2.5
174.22757	2.2
191.44049	2.0
209.91704	1.8
243.57814	1.9
333.24115	5.9
334.21661	4.4
344.94693	2.1
359.25699	2.2
363.25363	5.1
383.07129	8.9
391.24759	2.5
427.28809	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	426.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25983	4.9
58.74913	5.5
71.20369	9.6
80.29347	5.0
82.80864	5.5
85.06590	9.5
94.44419	6.0
99.17753	6.5
104.60531	5.5
109.44634	6.2
123.04545	8.3
134.02371	7.0
136.03964	6.8
238.25592	5.2
272.30258	5.4
304.65656	5.4
305.16223	8.7
306.17166	9.5
322.16553	100.0
379.24463	8.1
408.23981	70.8
409.23743	8.5
426.24982	22.1
427.28711	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	426.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.89350	1.1
218.02031	0.8
234.75204	0.9
247.92799	0.8
257.32443	0.8
314.56467	0.8
427.20462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.73769	1.7
98.21949	1.4
176.20938	0.7
253.62123	0.8
393.87839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89327	0.3
55.78001	0.4
59.01382	4.5
61.98804	0.9
64.43392	0.3
69.29370	2.0
71.01377	0.6
72.99301	0.5
84.93865	2.8
89.02463	0.4
96.96000	0.9
98.22634	0.7
98.95580	1.3
99.92580	19.3
100.92642	0.9
100.93356	5.9
101.02415	0.6
103.00378	3.3
111.00884	1.0
113.02488	0.4
114.94937	3.2
115.92092	4.9
116.92857	100.0
117.92870	3.9
123.08131	0.5
125.02425	1.2
126.94955	1.1
140.92894	0.7
142.94446	1.0
143.95177	0.4
149.09711	0.7
153.97260	0.7
156.92328	0.7
158.93906	17.0
159.93924	0.7
170.93854	0.4
173.92572	0.6
174.93530	0.5
184.91792	2.4
185.92697	0.4
196.73933	0.3
197.96292	0.7
202.92928	0.7
233.07660	0.5
261.02228	0.7
265.14514	0.6
279.03323	1.2
295.06497	0.5
305.01135	1.6
306.01447	0.4
307.85748	0.4
321.04303	1.4
323.02298	3.1
341.03290	3.6
341.06918	0.7
365.03436	2.1
366.03290	0.4
383.04169	3.1
383.07327	0.4
384.05142	0.4
427.03305	8.0
427.19482	1.1
428.03638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27530	0.4
58.02763	0.4
59.01378	5.7
65.68967	0.3
68.18465	0.3
70.70875	0.6
71.01376	1.0
73.02948	0.7
79.41109	0.3
79.95742	2.1
94.68195	0.4
96.96008	100.0
97.93122	0.9
101.02443	1.1
105.44846	0.4
111.00833	0.4
112.92234	0.9
114.93409	5.0
119.03588	0.4
120.94804	0.4
123.04539	0.5
136.99168	0.6
156.94449	0.9
167.03499	0.9
179.10674	0.6
181.12309	2.9
209.04599	0.8
239.05846	0.6
285.13446	0.9
303.06674	0.6
307.11908	0.6
323.28601	0.4
347.05667	1.4
382.40210	0.4
383.06207	0.4
394.05768	0.4
418.21939	0.4
427.19800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.7
59.16272	0.8
69.25238	1.8
69.25628	2.2
71.01380	1.1
73.02933	1.1
89.02422	1.3
101.02409	1.1
117.05556	4.2
121.02953	1.0
124.01631	2.8
125.02465	2.5
136.01637	2.0
137.88437	1.1
138.03217	2.3
148.01682	1.1
149.02434	1.7
150.03252	1.4
151.03941	1.6
152.01141	2.2
161.02434	6.9
162.03246	5.9
164.01164	8.0
166.02724	6.9
173.02406	1.5
175.04027	1.0
177.01950	4.3
178.02719	3.9
178.99782	1.6
180.00623	1.2
180.04373	0.8
183.02931	1.5
189.01923	2.3
190.02708	15.0
190.99759	1.3
191.03336	1.2
192.00639	100.0
193.01396	41.7
194.02176	33.4
195.02594	1.2
205.01389	12.2
206.02209	11.7
207.02972	45.3
208.03320	1.4
209.00909	1.4
209.04480	2.5
216.30066	1.1
220.00160	1.7
220.03705	1.0
221.00923	5.0
222.01671	9.4
232.03787	6.7
233.00928	1.5
234.01683	48.6
235.02162	4.0
237.04047	7.7
249.04027	31.6
249.06018	0.6
250.04398	1.1
252.61018	0.9
268.39093	0.9
276.02695	1.8
291.05103	6.2
294.03751	5.1
309.06137	30.2
310.06387	1.2
312.04913	10.2
327.07184	65.1
328.07550	3.4
354.05905	9.0
369.08240	51.7
370.08438	3.9
409.11484	1.2
412.10083	1.2
427.12384	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
59.01377	100.0
60.01717	1.0
60.18338	0.3
61.98827	0.8
69.47433	1.3
71.01373	1.1
73.02955	1.3
83.01371	0.5
85.02925	0.4
89.02444	0.4
93.03465	0.3
96.95993	0.4
101.02442	0.8
111.00871	0.5
113.02443	0.5
121.02953	42.3
122.03281	1.5
123.04530	0.6
124.04798	0.4
125.02431	0.4
135.11800	1.8
137.06117	0.4
153.63649	0.3
158.20656	0.3
161.04518	0.3
161.09731	0.7
167.03487	1.0
179.10765	9.2
180.11061	0.5
205.12262	0.6
209.04521	1.9
221.08350	0.3
223.09744	6.3
223.13263	0.4
239.05435	0.9
263.09293	0.6
265.10745	0.5
265.14297	0.8
307.11771	1.3
337.12845	0.9
394.03931	0.3
400.18161	0.4
427.15744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22367	1.2
59.01377	76.3
61.47100	1.3
71.01367	2.6
73.02944	1.6
74.46588	1.2
80.35017	1.2
81.03457	1.9
83.01360	1.4
85.02919	2.1
89.02435	1.9
92.18475	1.5
95.01368	1.5
101.02447	1.7
111.06702	1.4
114.23410	1.2
124.01688	1.6
125.02439	1.4
135.11816	3.6
137.09711	4.7
179.10771	100.0
180.11122	4.4
221.15475	1.8
265.14401	9.1
385.18723	1.9
427.19669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	1.5
55.01889	2.4
57.93882	1.6
59.01378	25.3
61.98821	10.6
69.27393	7.3
71.01381	25.8
73.02943	13.0
83.01385	7.2
85.02962	14.1
89.02454	5.7
99.00890	3.8
101.02440	26.9
109.04333	1.8
113.02437	11.9
125.02438	2.4
130.65288	1.5
131.03500	1.8
159.02971	1.9
161.04552	13.5
171.58003	1.5
235.11848	37.4
367.16058	100.0
368.16275	4.2
391.35437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
57.22391	0.7
59.01378	100.0
61.98838	2.4
63.12949	0.7
69.03473	1.2
71.01377	18.9
71.05066	0.8
72.99296	1.5
73.02946	18.4
83.01373	4.8
85.02945	5.3
87.00914	1.6
88.98831	0.9
89.02452	7.5
93.03457	0.7
95.01389	1.0
95.05035	1.0
96.96001	5.1
97.02985	2.0
99.00879	1.0
101.02441	12.6
105.07074	0.6
105.21641	0.8
109.02927	0.9
109.06638	0.7
111.00942	0.8
111.04583	0.7
113.02447	9.9
113.06106	0.9
119.03571	2.1
123.08211	1.3
124.01721	0.7
125.02455	2.9
125.06079	1.8
125.85483	0.7
127.86369	0.7
131.03465	1.1
135.08249	1.2
136.05338	1.5
137.02463	1.5
137.09705	4.3
138.03233	1.0
138.06873	7.3
139.07663	2.6
143.03488	2.0
145.12715	0.7
151.07634	8.4
152.04839	1.2
152.08441	16.4
153.01961	0.8
153.09212	46.8
154.09537	1.1
159.03021	1.0
161.04547	5.2
163.11276	1.5
164.04793	0.7
165.09262	1.9
169.01527	0.9
179.05656	1.7
179.10786	11.3
184.97110	0.9
190.02733	0.9
192.00694	1.9
193.01442	0.8
193.12419	1.2
201.66823	0.6
203.05650	1.9
205.12337	20.4
205.14224	1.3
206.12776	1.0
221.11838	0.7
222.50848	0.7
223.13406	13.0
234.01753	1.4
249.89088	0.6
265.10806	1.9
279.05576	0.7
289.30991	0.7
309.06415	1.4
327.07425	1.2
337.13141	1.2
367.17603	3.5
385.18719	4.2
391.10321	1.6
427.20383	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
57.22391	0.7
59.01378	100.0
61.98838	2.4
63.12949	0.7
69.03473	1.2
71.01377	18.9
71.05066	0.8
72.99296	1.5
73.02946	18.4
83.01373	4.8
85.02945	5.3
87.00914	1.6
88.98831	0.9
89.02452	7.5
93.03457	0.7
95.01389	1.0
95.05035	1.0
96.96001	5.1
97.02985	2.0
99.00879	1.0
101.02441	12.6
105.07074	0.6
105.21641	0.8
109.02927	0.9
109.06638	0.7
111.00942	0.8
111.04583	0.7
113.02447	9.9
113.06106	0.9
119.03571	2.1
123.08211	1.3
124.01721	0.7
125.02455	2.9
125.06079	1.8
125.85483	0.7
127.86369	0.7
131.03465	1.1
135.08249	1.2
136.05338	1.5
137.02463	1.5
137.09705	4.3
138.03233	1.0
138.06873	7.3
139.07663	2.6
143.03488	2.0
145.12715	0.7
151.07634	8.4
152.04839	1.2
152.08441	16.4
153.01961	0.8
153.09212	46.8
154.09537	1.1
159.03021	1.0
161.04547	5.2
163.11276	1.5
164.04793	0.7
165.09262	1.9
169.01527	0.9
179.05656	1.7
179.10786	11.3
184.97110	0.9
190.02733	0.9
192.00694	1.9
193.01442	0.8
193.12419	1.2
201.66823	0.6
203.05650	1.9
205.12337	20.4
205.14224	1.3
206.12776	1.0
221.11838	0.7
222.50848	0.7
223.13406	13.0
234.01753	1.4
249.89088	0.6
265.10806	1.9
279.05576	0.7
289.30991	0.7
309.06415	1.4
327.07425	1.2
337.13141	1.2
367.17603	3.5
385.18719	4.2
391.10321	1.6
427.20383	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.5
57.44708	1.4
59.01377	100.0
61.98843	1.8
69.03446	2.6
69.30458	8.1
71.01379	24.3
73.02941	28.1
79.59151	1.9
83.01389	6.9
85.02944	5.7
89.02438	8.5
92.32401	1.7
97.02966	2.0
101.02441	25.4
113.02444	10.2
113.06113	4.1
119.03505	5.1
121.09681	1.6
125.02451	7.6
137.06107	2.9
137.09708	3.5
153.09206	36.5
161.04562	6.2
163.11258	3.7
165.09192	13.6
179.10777	1.6
187.11275	5.1
192.00639	6.0
192.15207	1.7
193.01384	3.7
194.02089	2.6
205.12335	15.5
207.02959	2.9
221.94017	1.7
223.13371	55.5
224.13783	2.2
249.03928	1.6
265.00302	1.7
265.10898	2.8
289.03571	3.1
309.06024	2.9
358.55130	1.7
367.17596	3.9
385.18634	2.8
411.25934	1.6
415.08386	1.6
427.12183	3.9
427.19073	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
57.03428	2.8
59.01379	68.2
68.99792	0.8
69.03435	1.8
71.01380	29.6
72.99295	1.5
73.02557	1.3
73.02944	19.1
83.00977	0.8
83.01389	7.6
85.02947	15.8
86.00068	1.9
86.46986	0.7
87.00867	2.8
89.02441	6.1
95.01369	3.6
96.96003	5.0
97.02945	2.0
99.00887	2.9
101.02436	18.1
101.06075	0.8
111.00874	4.3
112.01651	3.2
113.01708	0.9
113.02454	12.2
113.68253	0.7
116.56385	0.6
119.03496	1.7
123.04531	1.5
123.44947	0.6
124.01647	1.8
125.02441	3.3
129.02013	0.6
135.54048	0.6
136.05299	6.4
143.03462	1.9
149.06058	2.0
149.24522	0.6
150.06853	3.6
151.07593	2.0
161.04558	1.2
163.07729	1.3
165.09187	1.0
179.07126	2.5
189.09221	0.6
190.10022	3.1
191.10663	1.1
205.12305	6.2
207.06570	0.9
208.11032	5.7
218.47403	0.6
221.11804	0.8
223.13379	100.0
224.13715	4.6
224.51169	0.6
229.08720	8.9
235.13383	1.4
247.13403	1.0
265.14426	3.6
265.18173	1.1
279.16055	0.9
293.13919	1.4
299.33609	0.7
356.09381	0.7
367.17575	97.4
368.17889	7.0
385.18646	84.9
386.19095	5.4
391.13913	1.6
427.10587	2.5
427.19446	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	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.03430	3.1
59.01378	35.4
66.52355	1.2
69.03449	1.7
69.23915	4.8
71.01382	15.9
71.05010	1.0
72.99310	1.6
73.02952	6.4
81.03467	1.1
82.08009	1.0
83.01382	4.4
85.02937	10.6
86.00104	2.8
87.00855	1.7
89.02445	3.6
95.01407	0.9
95.05028	1.0
97.02964	2.0
97.06583	0.9
99.00855	1.5
101.02437	11.0
108.00436	0.9
111.00865	3.6
113.02451	5.7
119.03500	1.4
119.16441	1.0
122.03707	1.1
123.04460	1.6
123.08156	2.2
124.01644	2.4
125.02453	3.0
127.98387	0.9
129.01933	1.4
135.04507	2.4
143.03532	1.5
161.04526	1.4
163.07625	2.6
164.08403	1.9
179.10753	3.6
181.12254	1.7
187.65619	0.9
189.24968	1.0
203.14410	3.1
205.12386	3.3
223.10127	10.0
223.13371	100.0
224.13730	5.3
235.13341	3.3
247.13393	13.8
265.14410	21.6
266.14853	2.2
293.13861	3.0
296.99307	1.0
367.17572	67.9
368.18011	7.1
385.18649	97.5
386.19022	8.0
424.37918	1.0
427.19717	57.0
428.20166	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56660	0.9
55.01886	2.8
57.03440	2.0
58.00581	1.6
59.01377	100.0
60.01706	0.9
67.59941	0.8
70.62080	1.4
70.62415	1.1
71.01380	37.0
72.99292	1.4
73.02946	19.3
74.10865	0.8
83.01386	6.4
84.95127	0.9
85.02946	10.8
87.00877	4.2
89.02444	23.1
89.03010	1.1
92.23881	1.0
95.01398	3.3
97.02966	1.4
99.00896	2.4
101.02444	30.2
107.21401	0.8
111.00881	1.0
113.02458	17.4
119.03496	8.8
122.03757	2.2
123.00957	0.8
123.04535	2.2
124.01618	0.8
125.02486	1.1
125.06104	1.3
131.03491	0.8
136.05338	1.1
137.06154	1.7
143.03506	1.7
147.04561	2.2
149.06105	3.3
151.03979	6.8
151.07529	0.9
161.04759	1.1
161.06099	4.1
162.06761	0.9
162.10489	2.5
163.07663	1.0
165.05612	2.0
166.33710	0.7
175.04001	2.1
175.07628	9.8
176.08232	0.9
178.10199	1.0
179.05684	1.2
189.05548	1.4
189.09273	1.9
190.09990	30.5
191.10573	1.8
192.11575	2.1
205.12325	70.8
206.12836	3.0
207.10286	3.3
207.13857	7.6
208.11046	3.0
221.11800	11.8
221.15338	1.7
223.13390	48.2
224.13770	2.3
231.10298	1.3
232.11053	8.0
233.11832	4.6
237.14961	1.6
245.11815	1.5
247.13377	9.7
249.14984	1.8
250.11983	1.3
258.12585	1.4
259.13440	2.2
265.14426	19.7
266.14777	1.5
273.15048	3.7
277.14572	1.4
279.16098	3.2
289.14352	1.2
301.14594	2.3
307.15506	2.8
335.15088	1.9
337.16599	0.8
349.16464	5.7
367.17584	66.6
368.18079	4.1
385.18649	92.4
386.18994	7.3
427.19650	12.4
428.19986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05797	0.3
55.01867	1.4
57.03439	3.3
58.00580	0.8
59.01380	35.4
60.01690	0.6
63.04306	0.4
68.99803	0.9
69.03459	0.9
69.33897	1.8
71.01382	13.8
71.01776	0.8
71.05023	0.8
72.99300	0.9
73.02945	5.3
81.03450	1.7
82.97816	0.4
83.01394	3.5
85.02951	8.5
86.00095	2.0
87.00872	1.9
89.02446	1.7
95.01402	0.9
97.02943	1.6
97.06586	0.8
98.22691	0.6
99.00897	1.9
101.02442	9.4
103.46146	0.5
109.33751	0.4
111.00864	2.9
112.01660	1.5
113.02450	4.0
115.56689	0.4
121.10214	0.5
122.03751	0.8
123.04511	0.8
123.08144	1.7
124.01659	1.6
125.02464	3.6
129.01921	0.8
135.04535	0.6
136.05260	0.5
137.94058	0.4
141.01917	0.6
143.03470	1.3
153.27769	0.4
159.03023	0.6
159.04520	0.4
163.11285	0.7
165.09172	0.5
178.05966	0.4
179.10715	0.5
181.12354	1.6
205.12305	3.4
221.11841	0.5
223.13387	100.0
224.13739	4.9
235.13329	3.1
237.14948	1.0
247.13408	1.7
249.40938	0.5
265.14435	5.0
293.13940	3.3
337.16772	0.5
367.17584	65.7
368.17990	4.3
385.18646	98.5
386.19009	7.4
427.19702	37.9
427.25717	0.4
428.20102	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	427.1972
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
50.64331	2.9
53.32531	2.4
59.01373	20.8
69.13362	21.8
71.01379	7.5
75.35253	2.7
78.12691	3.0
80.92753	2.6
93.03443	15.2
99.04511	15.3
108.52707	3.4
111.00863	4.6
113.02423	4.2
118.95188	2.9
124.01660	4.4
126.23140	3.2
128.14046	3.1
137.02440	36.3
159.72440	3.5
203.14334	7.6
205.12395	3.4
221.15465	30.4
223.13344	3.4
237.14886	5.5
265.14426	100.0
266.14908	8.0
307.15710	4.3
333.40018	3.1
367.17404	6.3
371.17404	2.9
385.18332	4.4
427.19815	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2254
Annotation	Aspidoalbine
Peak:m/z	Relative Intensity
56.52473	0.3
58.99236	0.3
59.71576	0.2
69.35357	0.9
80.64586	0.2
86.33967	0.3
92.74147	0.3
94.42895	0.3
107.03647	0.3
139.04018	0.9
142.11198	0.3
162.96759	0.3
167.03499	8.7
168.04169	0.6
168.11465	0.3
180.59471	0.3
181.05083	0.6
194.27617	0.3
215.56308	0.2
219.10207	0.6
222.39171	0.3
231.11908	0.3
237.11339	0.8
244.10527	0.3
244.89230	0.3
291.15979	1.2
305.21136	0.3
313.89746	0.3
333.20697	14.8
334.21466	100.0
335.21832	7.8
376.22531	11.1
377.22903	0.9
391.24884	49.4
392.25238	4.5
408.33505	0.3
444.81873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2486
Annotation	Graviphane
Peak:m/z	Relative Intensity
61.98828	0.9
70.44382	0.4
75.40952	0.4
78.91891	0.6
81.03441	1.2
95.01376	0.6
96.02177	0.9
97.02950	1.0
102.49245	0.5
108.02177	19.7
109.02938	1.3
121.02977	1.2
122.03730	5.4
123.00869	3.1
123.04564	0.8
124.01659	33.3
125.02448	1.4
125.87318	0.8
127.87040	0.9
130.04253	0.7
134.03745	2.8
135.04539	2.1
136.01653	0.9
136.05292	0.9
137.02422	0.8
141.24686	0.4
150.03217	3.8
160.05247	0.9
160.84253	1.0
162.83968	2.3
162.85162	0.5
164.04797	1.3
299.20166	0.7
301.21570	0.6
313.25290	0.6
315.23407	1.1
320.89429	0.5
329.24817	1.6
339.23315	1.2
341.24701	2.2
343.94263	0.6
344.94275	1.1
355.26215	3.1
357.24326	5.6
358.24625	0.9
365.24847	1.3
367.22552	1.2
381.24265	1.1
383.25977	1.4
385.23779	0.8
391.06070	1.3
391.22748	1.0
392.00641	0.8
399.25235	4.6
409.23840	12.6
410.24057	1.2
427.03275	5.4
427.24857	100.0
428.02835	4.4
428.25140	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	427.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79324	29.4
59.01355	31.6
61.98820	48.7
64.91062	29.1
70.16684	73.5
70.17027	41.6
79.95740	39.1
80.96509	100.0
116.92876	40.7
118.95757	37.8
121.36510	31.2
167.14493	37.9
208.91162	33.8
326.57785	29.8
426.96725	60.3
427.21368	41.3
427.27161	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2847
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
55.01879	1.8
69.49355	0.6
71.05007	0.2
81.03455	1.1
95.05041	1.0
98.22714	0.1
108.02088	0.1
122.03730	1.8
123.00861	0.3
123.04586	0.3
125.87315	0.1
127.74324	0.1
127.87048	0.1
135.04507	1.1
136.05289	1.6
137.06105	0.3
147.56306	0.1
149.06084	1.4
150.06850	0.2
160.84145	0.1
162.83943	0.4
163.07645	0.3
177.09183	0.2
191.10774	0.2
205.12299	0.2
219.13950	0.3
233.15446	0.3
247.16975	0.2
287.23911	0.2
289.21509	0.2
301.21866	0.3
301.25406	0.3
311.23709	0.1
315.23315	0.7
325.24994	0.2
327.23486	0.2
327.26917	0.4
329.24838	0.2
341.24774	0.3
341.28473	1.0
343.26370	1.4
344.26733	0.2
353.24887	0.6
355.26315	0.2
357.27951	4.7
358.28299	0.4
367.26389	1.5
369.24255	0.1
371.25821	1.0
381.27899	0.7
383.29526	12.0
384.29953	1.0
385.27448	3.5
386.27863	0.5
390.00995	0.2
392.00620	0.2
409.27414	0.4
427.28482	100.0
428.28842	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	427.3215
Annotation	4-carboxyzymosterol
Peak:m/z	Relative Intensity
69.73657	19.6
69.74066	28.7
91.27764	8.7
97.72580	8.3
149.32838	9.4
168.39001	9.1
172.93283	9.5
247.30116	9.2
293.88678	10.3
354.89822	9.4
367.29971	64.1
383.33118	52.7
427.32202	100.0
448.25348	10.5
449.37073	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	428.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	5.4
69.58929	4.3
69.59315	3.5
78.01100	7.0
78.13108	1.9
80.91671	2.1
111.94199	1.9
112.13438	1.6
123.04514	7.6
125.99564	3.5
136.75737	1.9
139.00410	2.5
172.33513	1.9
183.27386	2.1
195.17572	2.5
219.17509	16.3
279.15952	4.5
281.17566	100.0
282.17856	8.1
307.15521	3.0
325.16382	6.3
334.62564	2.2
347.22159	4.5
366.15021	3.4
428.21075	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	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06720	26.5
55.04673	27.4
57.16411	25.0
59.01368	100.0
65.58276	27.2
70.80173	46.5
71.01368	89.2
73.02928	38.3
85.02936	56.3
98.38882	30.4
101.02416	35.2
113.02412	38.0
137.08434	34.5
161.04541	55.1
171.80501	32.8
216.63527	28.5
222.68951	29.6
223.13269	59.2
307.05417	30.6
309.69550	28.7
338.55722	33.1
434.67657	33.9
443.44797	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82283	3.2
59.01376	100.0
69.30715	8.5
69.31129	12.6
71.01372	25.8
73.02941	9.3
85.02933	8.7
89.02433	10.6
101.02437	24.6
113.02445	15.9
119.03546	6.3
123.04515	15.0
136.05241	4.1
153.56400	3.5
157.62575	3.3
161.04549	19.5
163.44345	4.0
191.90038	3.4
223.13396	59.7
224.13683	7.0
267.06958	4.0
267.12671	4.6
267.15872	7.2
368.17661	7.4
386.19040	7.7
428.19742	17.5
429.21414	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96716	8.0
59.01379	100.0
71.01390	46.8
80.67002	7.7
85.02944	12.1
85.64690	8.6
89.02431	66.2
101.02425	20.4
106.99471	9.2
113.02454	28.4
119.03486	29.5
124.01609	8.5
124.45284	9.3
125.02436	33.1
134.03708	8.3
135.08176	8.8
138.03348	8.9
143.03430	8.8
163.07622	36.6
179.05602	52.1
179.07120	27.0
181.08687	12.9
196.80945	8.7
204.35413	7.8
207.06628	33.9
216.01289	9.2
221.11832	18.1
225.07631	92.1
249.06186	9.4
267.12286	14.6
428.19458	11.8
429.13660	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61792	6.1
57.03434	6.3
59.01374	93.9
61.98817	14.6
62.33987	6.1
68.53463	6.2
68.83408	5.4
69.41908	24.0
71.01375	67.6
71.37634	7.3
73.02937	20.5
74.93397	5.7
75.00884	8.3
85.02946	21.4
87.00864	6.7
89.02423	41.4
97.02933	8.2
99.00867	10.0
101.02430	44.4
113.02441	36.2
116.92742	8.1
119.03472	14.8
125.02422	16.0
131.91739	6.3
135.08116	14.0
136.56952	5.6
138.06874	15.5
149.02368	11.1
151.04008	5.8
151.07628	16.1
152.07037	5.2
152.08395	25.7
153.09203	80.5
161.04538	50.7
177.01979	5.6
179.05692	7.4
179.07056	27.5
192.04201	7.8
205.12312	32.5
207.06577	32.8
208.03778	10.7
208.07039	13.4
222.08936	10.2
223.06102	22.5
223.09486	14.5
223.13330	50.6
224.09987	9.8
225.11278	7.0
239.09244	8.6
249.06079	16.9
385.18594	100.0
429.13635	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	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	35.9
61.98800	5.4
65.34377	5.0
70.00058	11.2
71.01382	8.1
73.02957	6.3
82.95447	5.7
85.02969	5.4
85.23650	4.7
89.02477	8.8
99.00857	5.2
101.02364	5.7
111.00914	4.9
113.02492	6.5
116.92844	9.3
124.01666	16.4
134.03728	5.0
136.05313	15.5
137.02399	9.1
138.03236	5.3
138.77554	5.7
151.07628	14.2
156.73553	5.9
161.04596	6.6
223.13333	26.6
224.13750	8.6
249.14937	8.0
265.14438	19.0
266.14792	15.1
267.16019	100.0
358.51270	4.6
428.19806	6.8
429.21161	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	428.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39338	3.0
59.01380	100.0
60.76701	2.5
64.75340	2.5
71.01376	32.3
71.45071	2.9
72.22677	2.5
73.02934	9.1
81.03452	6.7
85.02946	13.8
87.87062	2.5
89.02451	9.4
96.71244	2.9
99.00876	5.7
101.02436	19.6
113.02467	15.1
119.03489	5.7
123.04498	10.6
125.02450	4.6
136.05240	2.8
161.04572	26.4
165.93503	2.8
174.89531	3.1
196.39931	3.5
207.13982	4.4
223.13403	68.6
224.13644	7.2
252.10004	3.5
266.14828	6.6
267.07077	3.4
267.12338	3.9
267.15952	8.2
368.18100	12.8
379.59274	2.8
385.18185	3.4
386.18994	8.8
428.20090	16.0
429.21451	72.4
437.33368	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	428.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59987	0.5
59.01376	0.8
61.98822	2.3
64.53349	0.5
69.00959	0.9
69.42095	1.5
69.42500	0.9
81.03451	0.9
108.02195	2.7
109.02942	0.9
109.59904	0.6
110.03761	1.2
122.03732	0.6
123.04519	34.9
124.04839	0.7
125.02451	1.2
125.87377	0.6
134.86462	0.6
137.02454	7.8
137.06085	0.7
138.03223	2.6
139.03946	0.9
149.06046	0.6
151.03993	19.5
152.04776	1.6
165.05521	4.6
167.03520	0.5
168.04283	0.8
193.08630	0.8
193.12318	1.6
198.60600	0.6
207.10245	0.8
221.11809	1.9
229.43425	0.5
247.17000	1.2
275.16489	1.4
275.20123	5.1
276.20490	0.6
289.21689	3.9
303.19659	15.1
303.23239	0.8
304.20087	0.7
317.21176	6.8
318.21973	16.2
319.22403	1.1
333.24326	53.7
334.24734	4.2
359.25845	0.7
360.26581	0.9
363.25385	100.0
364.25650	8.9
364.29770	0.7
385.20129	0.7
428.24155	31.2
429.06830	5.2
429.19296	0.7
429.24356	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	428.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92082	7.5
59.01372	12.1
61.41639	7.3
61.98833	100.0
62.50265	7.5
71.42719	6.9
80.82961	7.1
93.04576	8.7
96.96013	46.0
99.92587	85.1
108.50385	8.2
115.92054	10.3
116.92852	9.3
118.89964	85.3
119.90797	9.8
134.89458	25.5
135.90256	28.6
158.84930	7.7
197.47192	7.0
392.12866	36.2
428.10400	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	428.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49931	1.1
61.98830	100.0
70.75797	1.6
71.29197	1.5
109.28156	1.0
127.14935	1.0
151.02992	1.0
234.65727	1.3
296.09619	1.4
439.25766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89307	2.7
59.01371	2.9
59.54428	2.7
61.98827	100.0
64.74873	3.1
70.59585	2.8
72.48328	3.1
87.12039	3.1
310.57632	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	428.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83919	36.4
69.84282	27.5
84.35412	15.7
84.98619	18.2
110.45321	15.2
119.80710	17.1
140.75713	17.9
171.30821	17.0
242.09431	19.8
262.18704	17.2
343.26428	96.3
385.27371	100.0
429.29565	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	429.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17442	0.9
58.75955	0.9
59.01374	27.9
60.34870	0.9
61.99389	0.9
69.42801	3.4
78.95896	9.2
96.96956	15.2
98.22775	1.3
101.00946	3.5
115.02486	3.1
117.00443	38.0
118.00532	2.0
132.96025	1.0
138.98001	1.1
141.00356	1.3
141.99944	5.0
143.00151	2.3
143.02011	1.2
143.99687	4.7
144.99927	41.4
145.99403	2.2
146.67287	1.1
158.92540	1.4
159.01492	39.4
160.01729	1.9
168.47359	1.2
176.93565	1.2
184.01042	1.9
185.01103	2.5
186.00781	1.4
187.00987	20.4
188.00661	1.5
201.02533	3.8
202.99059	1.2
217.00488	3.7
241.00534	1.3
245.00037	3.5
256.41354	1.1
259.01581	15.2
260.01797	1.3
285.01340	5.6
286.00989	6.8
287.01093	100.0
288.01001	15.7
298.02954	1.0
301.02594	11.8
302.02554	1.3
331.04303	1.6
429.02054	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	429.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67546	0.4
56.31114	0.4
59.01376	13.8
60.54943	0.5
61.98808	0.4
62.83197	0.4
65.69389	0.5
71.01386	2.6
72.99293	1.1
73.02943	1.3
84.93875	2.7
85.02930	1.6
87.00861	0.9
89.02461	1.4
96.19072	0.5
96.96016	4.0
98.95596	4.3
98.96333	0.6
99.92582	23.6
100.92658	1.0
100.93346	7.0
101.02448	2.0
103.00371	4.6
104.57704	0.4
111.00892	0.5
113.02438	1.1
114.92052	0.9
114.94942	4.0
115.92077	7.8
116.92857	100.0
117.92880	4.4
117.93629	1.1
119.03478	0.6
119.05064	0.8
124.01645	1.0
140.92883	0.7
142.94444	1.5
155.10005	0.4
156.92271	0.8
158.93901	19.2
161.04497	0.9
163.11320	0.4
165.09167	0.8
173.92667	0.7
181.12347	1.4
184.91861	3.1
202.92838	0.9
225.11317	3.6
233.02669	0.6
236.10693	0.5
249.14856	0.8
252.00836	0.7
257.36395	0.4
263.03864	1.7
267.16016	6.6
281.04901	3.9
307.02786	4.9
308.03439	0.5
309.04324	0.9
323.05914	4.1
325.03790	5.8
343.04895	5.0
344.05060	0.6
367.04855	3.6
385.05933	11.9
386.06122	1.0
429.04919	13.6
429.21283	5.0
430.05182	1.8
445.39761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42838	0.8
59.01377	44.4
60.73422	0.8
61.98826	3.8
65.43040	0.8
69.45929	2.6
69.46329	1.6
71.01382	13.2
73.02944	3.5
83.01376	1.1
85.02952	3.6
87.00901	1.2
89.02467	5.1
95.01431	1.3
96.75216	1.0
99.00884	1.2
99.04541	0.9
101.02444	8.0
109.02966	6.2
113.02460	4.3
119.03484	2.5
121.02995	1.0
122.03723	8.0
123.04547	4.3
125.02419	1.5
135.04530	2.2
136.05287	4.3
137.02443	1.4
137.06082	45.9
138.06433	1.3
143.03543	1.1
151.03983	1.2
161.04533	4.3
174.06926	1.4
177.05566	1.5
180.04318	10.4
181.05066	100.0
182.03975	0.9
182.05420	4.8
189.09178	3.9
192.07852	2.5
193.05040	1.4
195.06630	39.7
196.06944	1.7
207.10254	66.2
208.10631	3.1
212.03107	1.7
223.06105	24.0
224.06529	1.6
252.13757	1.0
267.15964	4.1
325.09283	1.7
369.15475	4.8
429.21271	18.2
430.21741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.14
Annotation	Polygalatenoside B
Peak:m/z	Relative Intensity
57.03429	1.9
57.31565	0.6
57.70249	0.7
59.01380	6.7
61.98825	3.6
62.83421	0.5
64.45325	0.8
69.03445	0.6
71.01370	3.0
71.43523	0.6
73.02955	0.8
78.91900	0.8
80.91670	1.1
81.03435	1.5
83.01388	0.8
83.05022	7.3
85.02930	1.0
89.02448	1.2
93.03440	2.1
95.01385	7.0
95.05000	2.2
97.02958	4.0
97.06583	0.6
99.04528	0.7
101.02466	1.1
108.02165	0.6
109.02946	3.9
111.04536	7.1
113.02428	0.8
118.97195	0.6
119.03535	1.2
121.02956	8.2
121.06599	4.8
122.03760	1.6
123.00891	33.1
123.04488	1.8
124.01681	4.5
125.02491	3.5
125.06066	1.6
134.03754	6.6
135.04488	1.0
135.08142	1.8
137.02438	4.8
137.09761	3.8
138.03210	3.7
139.04016	19.4
143.07140	5.8
146.03722	1.0
148.05350	1.2
149.06046	1.4
153.02034	0.8
158.34030	0.7
159.04510	3.3
161.09721	1.8
162.03218	1.5
163.00333	0.8
163.04031	1.0
163.07663	5.3
164.01109	0.8
164.04761	2.2
164.08432	0.7
165.01933	8.3
165.09250	1.1
169.01378	1.9
175.04034	1.6
177.01877	0.7
177.05498	0.9
177.09219	1.0
178.02744	3.4
179.03526	2.0
179.07155	2.5
181.08786	3.3
187.07645	10.8
190.02916	0.6
192.00658	1.0
193.05052	11.0
205.08694	16.8
207.06618	2.3
222.01691	1.7
223.06087	1.5
223.09785	1.3
225.07713	5.5
231.06599	9.6
239.09264	2.3
249.07707	25.4
250.07974	0.9
266.07932	4.6
267.08725	100.0
267.16058	4.5
268.09082	3.5
301.09113	1.0
332.25378	0.6
349.95493	0.6
381.73682	0.8
385.07455	1.4
429.14038	45.8
430.14389	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	429.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
59.22012	0.4
61.98830	7.2
71.01372	1.4
71.43781	0.5
77.08781	0.4
77.56422	0.5
79.05551	0.7
81.03451	1.2
85.02912	0.6
89.02425	0.6
91.13634	0.5
99.30141	0.5
101.02442	1.0
109.38012	0.5
113.02470	0.6
119.08656	1.8
121.06598	3.8
122.03724	2.9
122.16688	0.6
123.00881	1.2
123.04527	8.5
124.01698	0.5
135.04573	0.5
138.03207	0.9
139.04021	2.0
145.06602	2.1
161.00377	0.7
161.04526	0.5
163.07637	10.8
164.08006	0.6
165.05611	0.5
177.01933	1.0
179.03354	0.8
189.05510	0.8
192.00656	2.1
193.01050	0.7
204.07997	0.6
205.08643	1.0
207.06616	100.0
208.06956	4.1
231.06497	0.6
249.07727	1.2
267.08878	3.3
341.06693	0.6
369.11859	3.3
369.20236	0.8
378.13675	0.5
429.05637	2.2
429.14523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37361	0.5
59.01378	10.4
61.98827	0.8
69.48528	2.0
69.79709	0.7
71.01375	5.5
73.02949	2.3
75.00864	1.0
82.95419	0.7
83.01386	0.8
85.02940	3.5
87.00844	0.9
89.02454	2.7
95.01384	1.0
98.21884	0.7
99.00867	1.0
101.02455	3.7
108.02184	1.3
109.02952	1.4
113.02448	2.6
116.03615	0.6
119.03522	1.0
121.02952	100.0
122.03253	1.9
123.00887	1.0
124.01662	1.0
125.02457	4.7
135.08174	1.7
143.63533	0.7
152.01080	2.0
153.01894	0.7
161.04535	1.3
163.06178	0.7
163.11317	1.4
165.01852	0.7
166.02655	0.7
167.03545	1.6
169.01498	0.9
175.03978	0.6
179.07144	2.6
182.71970	0.7
190.06300	1.7
205.08745	1.0
207.06665	1.6
221.72667	0.8
225.07573	0.9
249.06183	2.2
261.13452	1.3
315.07233	2.9
386.19266	1.5
393.17676	8.6
394.18121	1.1
429.14789	16.3
430.15625	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	429.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
58.02982	0.9
59.01378	100.0
60.01702	1.6
61.98809	2.7
69.03439	2.1
69.41183	2.7
70.62975	0.7
71.01376	10.3
72.99337	1.1
73.02960	1.3
74.02463	6.3
78.95904	3.1
81.03449	1.8
83.01353	1.7
83.05013	1.4
85.02951	2.6
87.00908	1.0
88.89172	0.8
89.02441	6.8
95.04990	1.0
96.96009	2.9
97.02944	0.8
97.06587	2.5
98.22734	1.5
101.02438	5.4
106.06602	0.9
107.04996	1.7
108.02159	3.2
109.02952	1.0
109.06545	1.9
111.04548	0.8
113.02429	3.8
116.05061	17.2
119.03506	2.6
119.05042	1.0
121.02915	2.7
122.03748	6.0
123.00877	0.8
123.04520	1.5
124.01668	4.4
125.02435	2.5
125.09687	0.7
127.07607	0.9
128.05011	0.8
130.06621	2.1
133.06520	0.8
135.04518	2.5
135.08130	5.3
136.01672	0.9
137.04782	0.9
137.06039	1.6
137.09796	0.8
138.03233	1.0
139.07660	1.7
142.06621	7.8
145.06607	1.8
152.99544	4.3
153.09216	2.3
157.07628	4.6
157.08827	0.9
159.09225	2.5
161.02454	1.0
161.04671	1.6
161.06091	1.7
162.09216	2.6
163.07646	31.9
164.07996	0.8
165.09200	7.7
168.00690	1.0
169.01366	0.9
174.09264	0.8
175.07690	1.5
176.10760	1.9
179.05627	1.7
179.07126	3.5
179.09441	1.8
180.10289	3.0
181.08752	3.9
183.03017	1.3
184.09819	1.8
185.00822	1.1
187.11314	1.0
189.05487	1.4
191.07121	6.6
192.10490	0.8
193.08705	1.1
197.08237	2.2
203.08244	14.5
203.74281	0.9
206.08279	2.6
207.06619	11.8
208.07344	2.1
209.08167	6.2
220.09822	2.5
223.13344	2.0
224.09277	1.5
225.07671	25.7
226.07924	1.3
267.12347	3.3
285.16086	1.1
286.16470	0.8
297.13452	1.6
298.99496	1.0
300.10834	1.2
313.15668	1.0
349.15494	4.2
357.14395	1.1
367.16638	7.5
385.17621	8.3
393.14587	1.9
411.15768	4.8
429.16647	89.1
430.16971	10.5
433.49332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01378	28.7
61.98817	1.4
68.56585	0.6
69.71103	1.7
69.71446	0.6
71.01378	10.7
73.02946	12.1
83.01380	2.0
85.02951	3.7
85.51637	0.7
87.00886	1.1
87.04509	0.8
89.02444	4.9
95.01402	1.0
95.05014	1.7
97.02963	0.6
99.00852	0.9
99.92586	1.8
101.02457	8.7
107.05022	0.7
109.06568	0.9
113.02462	4.0
115.92128	0.8
116.92867	7.5
119.03510	1.5
125.02427	2.0
131.03494	0.6
134.00780	0.6
137.02464	0.6
143.03459	0.7
158.93877	1.3
161.04538	2.8
161.09775	0.7
163.11282	6.0
165.09225	1.4
173.90794	0.6
180.99576	0.8
181.12341	36.1
182.12640	1.7
207.10249	2.1
223.13373	2.4
225.11320	100.0
226.11618	4.5
239.05542	0.8
249.11449	1.6
249.14978	0.9
267.12436	2.9
267.16003	4.3
307.15643	0.6
369.15533	0.8
385.06165	1.0
385.18622	1.5
429.05060	1.2
429.21439	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	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	44.5
60.01714	0.4
69.13272	0.8
69.13671	0.9
71.01376	0.5
95.01385	0.5
96.11758	0.3
96.32605	0.3
108.02164	5.5
122.03728	2.6
135.04533	0.4
136.01680	0.7
136.05280	2.3
150.03250	0.9
163.04030	0.6
164.08400	4.0
166.31645	0.3
178.39697	0.3
183.56097	0.3
192.07907	10.8
193.08337	0.3
207.10248	100.0
208.10600	3.3
260.39578	0.3
328.24750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50521	0.5
57.03432	0.6
59.01377	100.0
60.01725	0.8
61.98830	1.2
69.25611	3.1
71.01379	8.5
73.02955	2.4
82.95434	1.2
83.01377	0.8
85.02941	2.7
87.00874	0.6
89.02439	4.5
99.00880	0.6
101.02446	4.8
113.02449	3.3
119.03522	1.8
122.03738	6.2
123.04530	0.8
125.02449	1.0
134.10776	0.5
135.04543	0.7
136.05362	0.6
137.02501	0.9
137.06076	10.5
138.03200	0.6
143.03497	0.8
149.06120	0.9
151.04008	0.9
161.04533	4.4
179.03471	0.7
179.05641	0.8
191.07137	1.0
192.07964	2.6
205.12352	1.1
207.10254	56.0
208.07480	1.4
208.10559	2.8
221.11847	1.1
223.06181	0.7
249.11429	1.0
252.06480	0.9
267.09097	3.0
267.12418	4.4
267.16101	1.2
297.13635	0.8
369.19305	1.2
429.17026	2.6
429.22220	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76520	0.6
57.18222	0.6
58.08286	0.5
59.01378	73.5
63.80988	0.6
69.08495	1.8
69.08922	2.7
71.01379	6.0
73.02953	1.6
83.01389	0.8
85.02940	3.4
89.02442	2.0
98.22604	1.3
99.00868	0.8
101.02425	3.5
108.69627	0.7
108.98311	0.6
113.02437	2.5
122.03737	11.6
123.04522	1.2
136.05304	1.9
137.06081	24.6
138.06398	0.8
144.45491	0.6
150.03145	0.9
151.07626	1.8
161.04529	2.8
163.03819	0.6
192.07948	3.3
207.10255	100.0
208.10551	3.9
210.05353	0.9
223.13411	0.8
224.13873	0.8
225.07669	1.4
225.11194	0.7
235.68436	0.8
267.13000	0.7
267.15967	2.8
278.29248	0.6
369.15341	1.5
387.19394	0.9
429.16245	1.0
429.21356	12.0
430.21420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65877	0.7
56.97228	0.7
57.03439	0.9
59.01378	100.0
59.92611	0.6
69.49461	2.4
69.49860	1.3
71.01381	8.4
73.02942	1.1
83.01358	0.9
85.02959	2.5
89.02444	8.7
96.96028	1.2
101.02433	6.4
108.96421	0.8
109.02955	2.6
113.02432	4.9
119.03519	4.1
122.03719	0.8
123.04523	0.8
134.03741	5.7
135.04532	2.9
136.05286	2.3
137.09737	0.9
137.91745	0.6
149.06055	3.3
161.04588	3.7
163.03989	3.3
174.06862	1.8
177.05511	1.6
179.05615	2.5
182.36182	0.6
189.09149	1.3
192.07933	3.0
207.10252	86.8
208.10582	4.3
267.16080	1.3
347.43918	0.7
369.15314	1.4
427.42731	0.7
429.16458	1.9
429.21207	6.5
449.06775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03411	1.1
59.01381	13.3
59.01657	0.5
61.95439	0.3
63.03582	0.4
69.03412	0.5
69.65765	1.1
71.01384	1.8
78.91889	0.8
80.37623	0.4
81.03431	0.8
83.01311	0.5
84.51765	0.4
85.02910	0.7
89.02415	0.7
95.05003	0.6
96.96015	0.5
98.21861	0.6
101.02409	1.2
107.05067	0.4
107.07010	0.3
107.08653	0.7
109.06597	1.9
113.02437	0.9
121.02943	0.4
123.04533	3.3
123.08142	0.9
124.01640	0.8
124.04855	1.7
125.02454	3.5
125.04978	0.6
134.03755	0.4
135.04459	1.0
135.08090	0.5
136.05251	0.8
137.02402	1.1
137.06073	1.6
139.03976	1.5
145.10217	0.4
147.08093	0.6
149.06058	0.8
151.03990	0.6
151.07648	3.5
161.09669	0.6
163.07645	3.2
163.11343	0.3
165.09224	0.4
169.01413	1.1
177.01912	1.1
187.11343	1.0
189.09209	5.0
203.10880	0.5
205.08707	1.2
205.12358	11.2
206.12743	0.8
207.10266	100.0
208.10606	4.7
221.08142	0.7
223.06189	1.1
223.09753	3.9
225.07724	4.6
231.10249	0.8
249.11311	3.0
265.10886	0.7
266.10995	0.5
267.08914	2.1
267.12375	41.1
268.12781	2.1
339.30646	0.4
346.98022	0.4
411.16577	0.6
429.17786	50.0
430.13461	0.3
430.18204	4.3
452.17749	0.4
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
57.03439	2.4
59.01376	100.0
59.74857	0.8
60.01731	1.0
61.98847	1.4
69.03456	1.3
69.27807	4.1
71.01381	16.1
73.02940	4.9
78.95908	2.9
83.01398	2.7
85.02932	4.9
87.00892	2.1
89.02444	13.5
95.01377	1.6
95.04996	0.9
97.02970	1.0
99.00880	1.0
99.04509	3.8
101.02434	11.3
102.16883	0.8
108.02184	4.2
109.02947	1.4
113.02447	7.5
119.03490	4.9
121.02956	1.5
123.00898	0.8
123.04557	1.2
124.01650	4.2
125.02474	3.3
131.03476	1.3
134.03804	0.8
134.28850	0.7
135.04494	0.8
137.02470	3.0
137.09726	1.7
137.99644	2.7
138.03239	1.1
143.03503	1.6
152.01137	1.1
152.99609	2.9
161.04602	3.3
163.95050	0.8
165.09230	0.9
167.03532	0.8
172.18690	0.7
179.05695	2.3
181.12331	0.8
187.11316	1.1
203.09235	1.0
205.12331	4.0
207.10298	1.4
221.11781	3.8
223.13428	5.7
231.10307	1.7
235.13455	0.9
239.13113	0.8
249.11296	9.8
249.15088	0.8
267.12375	35.6
267.16022	3.8
268.12808	2.7
289.07224	1.5
314.67740	0.8
345.77075	0.8
347.17682	0.9
369.15216	1.9
369.19470	2.7
387.20584	1.1
401.18170	2.0
429.17050	22.4
429.22424	4.4
430.12076	1.6
430.17737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58525	0.7
59.01374	0.7
60.83646	0.7
69.41935	3.4
89.47861	0.9
89.70892	0.6
93.58347	0.8
99.92564	6.7
100.93355	56.7
101.93375	2.2
115.92070	100.0
116.92078	2.8
116.92856	9.4
121.41251	0.7
123.00863	0.9
132.92384	1.1
165.06487	0.8
172.95430	9.1
173.88962	0.7
186.42987	0.8
197.32387	0.7
255.23283	1.4
284.08221	0.7
315.29498	0.7
333.20584	1.6
334.21335	5.0
335.21539	1.0
347.22220	3.0
376.22556	1.3
381.17331	1.3
391.25024	2.0
429.19275	8.9
430.19720	0.9
441.45291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Ptilosteroid C
Peak:m/z	Relative Intensity
54.44841	2.8
55.88360	2.9
59.01376	9.1
60.34577	2.8
61.98820	5.3
69.03436	2.8
69.24638	5.5
69.25051	10.2
75.04832	2.6
79.81598	3.3
96.96022	11.6
98.22668	3.7
99.92569	6.3
108.02171	3.7
109.06613	7.5
115.70828	2.7
118.89977	9.9
119.05045	4.8
119.89991	3.5
120.89668	7.1
121.03021	3.6
123.00911	20.5
139.00290	3.6
149.02432	9.2
156.37764	3.0
165.05669	4.4
167.14403	6.4
169.16040	3.8
169.63188	2.9
179.14432	3.4
188.04401	3.1
207.17494	2.9
209.15396	4.9
223.13353	3.7
236.14243	3.1
251.12923	12.3
251.16280	3.9
253.14439	68.4
254.14734	5.1
259.20532	4.4
261.22342	3.6
277.21707	16.1
279.12415	9.3
279.16010	35.3
281.13919	3.6
289.18475	3.7
289.21722	7.4
305.21231	34.7
307.22900	8.1
333.20706	100.0
334.21045	8.1
349.20145	10.6
351.21808	20.7
356.94113	2.9
367.19562	3.2
374.58041	3.0
377.19705	13.4
392.00900	2.8
393.17239	7.9
411.18326	40.3
411.23444	3.7
412.18823	4.4
429.19415	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	429.2129
Annotation	Celerioside A
Peak:m/z	Relative Intensity
55.01865	2.3
57.03450	1.9
59.01381	38.8
61.98805	1.5
69.03460	1.1
70.97305	0.9
71.01385	20.8
71.05014	3.8
73.02946	4.6
83.01402	4.2
85.02969	8.0
87.00870	1.5
89.02445	9.2
91.51150	1.0
95.01407	1.5
96.96013	7.1
99.04525	1.4
101.02442	12.2
102.96407	1.3
103.89606	1.2
108.02194	1.3
111.00893	2.3
113.02441	8.5
119.03496	3.9
121.55117	1.2
124.01637	6.9
134.03775	1.8
138.03241	2.2
151.04013	1.3
163.07645	3.1
165.09184	1.3
246.11841	2.9
249.14981	3.6
265.14435	1.5
267.15994	50.9
268.16376	2.2
299.91104	1.0
310.10126	1.1
429.21313	100.0
430.21759	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	429.2128
Annotation	Dendroside F
Peak:m/z	Relative Intensity
57.55135	0.2
58.78851	0.2
59.01377	100.0
60.01712	0.8
69.30674	1.2
71.01377	6.0
73.02962	0.8
81.03448	0.4
83.01411	0.5
85.02937	1.3
87.00894	0.6
87.45416	0.2
89.02443	5.9
90.02805	0.2
95.01427	0.5
96.96040	0.3
99.00885	0.3
101.02451	3.7
109.02969	0.3
113.02441	2.6
119.03493	2.7
123.04527	1.1
125.02462	1.3
126.83254	0.2
131.03519	0.3
137.02507	0.3
137.06137	0.4
139.00357	0.3
143.03520	0.7
149.04573	0.3
151.08751	0.3
152.01189	0.3
161.04588	1.0
167.03516	1.3
177.43301	0.2
179.05612	2.7
191.10875	0.3
207.10313	0.4
209.04538	2.9
210.05148	0.3
239.05621	0.5
267.12399	0.9
267.15958	0.4
375.51968	0.3
387.16754	0.3
429.21652	3.9
430.21747	0.4
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
57.03436	1.1
59.01377	100.0
60.01707	1.0
61.98825	2.9
69.03449	1.4
69.22861	3.5
69.23273	2.1
71.01379	24.0
71.05025	1.1
72.44792	1.0
72.99292	1.0
73.02953	12.9
73.60169	0.8
81.03474	0.9
83.01422	4.4
85.02956	7.6
87.00875	1.3
89.02444	16.0
95.01379	2.0
95.05049	1.0
96.64520	1.0
96.96019	1.9
97.02981	1.5
97.06565	1.9
99.00885	2.2
99.04529	8.1
101.02444	18.4
108.02176	12.4
109.02962	2.3
109.06555	1.1
113.02448	12.3
119.03514	6.0
121.02969	5.0
122.03742	2.7
123.04513	3.3
124.01637	11.4
125.02444	2.6
129.84381	0.9
131.03522	1.7
133.02989	0.9
134.03745	2.7
135.04521	1.6
136.05287	1.9
137.02432	4.2
138.03191	2.0
142.07506	0.9
143.03529	1.2
150.03162	1.1
151.03993	3.6
152.24649	0.9
161.04558	4.1
165.05544	1.5
165.09233	1.8
179.05638	3.2
205.12325	11.0
207.10239	20.0
210.08923	5.5
221.11821	9.0
223.13399	4.1
224.13791	2.3
225.11343	6.7
231.10268	4.8
239.12860	1.3
249.11304	27.4
249.14906	2.7
250.11707	2.4
252.13699	7.5
266.11569	1.7
267.12354	82.0
267.15912	15.2
268.12659	3.9
309.13385	2.2
429.17380	24.1
429.21567	19.7
430.17416	2.3
430.22342	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76133	0.4
54.19250	0.4
57.03438	0.5
59.01378	100.0
60.01378	0.4
60.01697	0.7
60.48642	0.4
65.91701	0.4
70.46848	0.5
70.47171	0.5
71.01382	11.7
73.02963	1.2
83.01410	0.5
85.02971	1.7
89.02443	17.8
95.01380	0.6
99.04571	0.4
101.02438	6.6
107.79511	0.4
113.02451	6.0
119.03500	6.8
131.03467	0.5
137.09763	2.0
143.03502	1.5
149.04570	0.8
158.50728	0.4
161.04556	2.4
179.05620	5.0
200.74364	0.4
213.08771	0.4
266.79654	0.4
290.83768	0.5
381.48080	0.4
429.21649	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81068	0.3
53.16942	0.4
57.03448	0.4
59.01377	100.0
60.01719	0.7
60.75088	0.3
69.49559	1.1
71.01379	9.8
79.46803	0.4
83.01371	0.5
85.02950	1.9
87.00875	0.7
89.02444	13.8
95.01418	0.7
101.02445	4.8
113.02447	5.1
119.03501	6.2
120.62054	0.3
131.03508	0.8
134.03764	1.0
136.05313	0.6
137.09721	2.0
143.03539	1.3
149.04561	0.7
149.06023	0.4
161.04575	2.1
177.03259	0.3
177.05568	0.4
179.05574	4.1
192.07858	0.5
207.10249	16.2
208.10658	0.8
245.85120	0.4
315.03491	0.4
315.07123	0.3
315.74179	0.4
330.01401	0.4
413.03635	0.4
429.21384	1.2
441.53058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Dendroside F
Peak:m/z	Relative Intensity
54.18330	0.6
56.12378	0.7
57.03455	1.6
59.01378	100.0
64.43578	0.6
69.39091	1.2
69.39487	2.3
71.01385	14.5
72.43209	0.7
72.99318	0.7
73.02931	5.2
78.91897	0.7
78.95905	1.4
83.01387	1.4
85.02965	4.5
89.02448	17.2
93.03446	4.5
95.01382	1.7
96.96007	3.1
96.97003	0.9
97.02944	0.9
97.06599	0.9
98.22643	1.3
99.00883	1.0
99.04518	10.5
99.05154	0.7
101.02450	9.4
107.66058	0.6
111.00925	0.6
113.02438	9.6
119.03526	6.2
125.02456	2.0
137.02455	11.8
137.09738	1.8
143.03505	1.6
143.63800	0.7
149.04703	1.0
152.99602	1.1
161.04582	3.6
179.05580	3.6
207.10385	0.9
211.02640	0.7
223.13402	1.6
225.11375	0.7
267.07538	0.8
267.12457	3.5
267.15936	3.3
369.19128	1.0
378.80124	0.6
429.13550	1.6
429.15033	1.3
429.21500	20.6
430.21573	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	429.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26788	1.0
74.87417	0.8
84.59417	0.9
88.28072	1.0
99.51357	0.9
109.02953	2.8
110.03747	1.1
123.00875	1.2
123.04530	8.3
124.01661	2.0
125.02420	0.8
130.08232	0.8
137.02435	49.8
137.06120	0.9
138.03197	1.1
142.02739	1.7
151.03986	10.1
165.01945	2.2
165.05614	0.9
167.03444	1.3
179.03474	9.6
179.10779	1.7
194.88895	0.8
207.10248	4.0
233.15434	1.5
247.17044	2.2
261.15067	1.8
304.20404	10.1
319.22766	0.8
321.20609	2.8
332.19955	4.5
334.21506	2.0
335.22208	1.4
336.23013	8.3
347.22244	100.0
348.22562	10.0
393.26151	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	429.2637
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
53.75770	0.7
55.90290	0.8
59.01365	1.5
61.98835	1.2
63.67681	0.8
68.13013	0.8
70.51092	0.8
73.30721	0.8
80.91682	11.2
97.02934	1.8
101.97919	1.0
108.02168	45.3
109.03013	1.1
110.21964	1.1
121.02986	1.5
122.03751	2.3
123.00892	1.6
124.00831	1.7
124.01662	21.2
126.54634	0.8
134.03740	2.7
135.04529	1.6
137.02434	0.9
138.03256	1.1
151.04015	0.9
201.34859	0.8
248.09091	0.8
265.14560	0.9
301.21716	2.0
331.26410	0.9
343.26556	2.0
347.25928	16.6
348.26288	1.1
351.25327	1.9
357.27982	3.4
367.26443	2.2
369.24252	1.3
371.18127	0.9
383.25870	3.7
385.27441	2.3
387.25153	1.7
393.24799	1.5
393.30078	3.9
401.26974	5.1
411.25357	27.8
412.25668	2.4
429.26413	100.0
430.18146	1.5
430.26761	11.0
435.25156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2641
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
57.03442	5.5
59.01367	3.8
60.29771	1.8
61.98796	2.5
65.63328	2.0
71.02499	1.9
81.03447	2.4
88.17762	1.8
94.98590	1.7
95.01428	2.6
97.02978	1.9
99.92572	2.4
109.02959	3.8
122.03732	2.6
137.02477	5.0
188.64487	1.7
263.03378	1.7
327.23233	7.5
343.22653	3.8
343.26419	2.9
369.24496	5.8
369.62027	2.2
371.22250	17.9
385.27573	11.8
387.25266	4.6
394.14398	2.1
411.25330	9.3
429.26462	100.0
430.26636	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	429.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33007	0.6
57.03446	9.6
60.65676	0.6
71.45082	0.6
71.97759	0.7
74.05949	0.6
81.03454	3.0
83.01382	12.2
85.00446	1.3
85.75392	0.5
101.69401	0.5
103.81535	0.6
107.01346	0.8
121.02957	0.8
123.04529	4.1
124.01665	1.2
125.02444	100.0
126.02775	1.7
147.90598	0.7
149.02432	1.7
151.00337	0.7
152.01111	0.7
165.05511	0.9
167.03494	2.7
219.13821	1.3
247.17058	1.5
270.18787	0.6
293.21191	0.9
303.23199	4.4
311.51123	0.6
321.20663	7.6
334.21487	2.8
344.19214	0.8
347.22232	2.6
385.27457	3.1
399.25366	1.0
429.26157	8.6
430.26736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.46503	1.7
66.73672	1.5
69.26233	9.3
72.89030	1.7
76.22533	1.6
76.27195	1.6
91.04015	2.1
92.35547	1.9
98.06364	1.7
108.93796	2.1
195.13974	2.3
195.17490	4.6
220.17834	4.7
231.97842	2.1
277.12411	1.7
279.15842	2.0
281.17407	3.2
282.17880	21.1
295.22794	12.6
365.57275	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	430.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86939	0.5
59.01374	10.6
61.98827	100.0
64.07273	0.5
71.01372	4.9
71.44740	0.6
73.02934	2.5
83.01402	0.6
85.02943	1.6
88.98838	0.6
89.02460	2.1
101.02425	3.7
113.02454	1.3
121.02940	0.8
125.02471	1.5
218.31071	0.4
225.11363	2.0
226.11678	1.8
227.03502	1.9
255.03027	2.6
284.03265	2.4
285.04028	4.6
431.09692	2.4
431.22830	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	430.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09826	0.4
55.75925	0.4
59.01378	2.0
61.98828	100.0
62.54251	0.4
63.94415	0.4
63.99273	0.4
69.63039	1.7
71.01404	0.9
79.00800	0.4
84.91513	0.4
89.02425	0.6
93.03481	0.6
101.02428	0.6
131.42944	0.4
137.02484	1.4
145.04160	0.5
153.01949	0.8
181.04987	0.6
191.98097	0.4
250.99936	0.5
267.91855	0.5
269.10287	1.2
276.40521	0.4
431.11548	1.1
431.16602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.0
59.01379	100.0
60.01698	10.3
60.81619	2.9
61.98823	8.8
71.01382	25.5
71.45027	2.7
72.99271	3.5
73.02931	6.1
83.01427	3.8
85.02939	10.9
89.02435	19.1
92.99274	2.7
99.00885	3.8
101.02437	19.9
102.02718	3.1
113.02429	14.2
119.03497	6.8
125.02426	5.8
131.03477	4.3
131.71332	3.1
145.05049	3.4
147.34093	2.8
157.53625	3.0
158.05627	2.4
159.02948	2.6
161.04486	4.4
163.06093	3.4
182.53915	3.3
193.08258	2.8
205.07117	4.7
206.07597	3.0
207.10239	9.9
207.30351	2.9
208.10585	14.2
235.27718	2.8
249.06001	3.2
253.10713	4.7
254.11787	3.6
268.12729	5.4
269.04489	17.0
269.17505	4.6
367.71899	3.0
430.17719	14.3
430.21921	11.0
431.10052	6.9
431.22711	9.5
437.53430	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	430.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	91.4
61.98822	7.2
69.03427	6.4
69.52856	7.0
69.53252	10.3
71.01385	15.4
73.02949	8.4
79.01923	5.8
84.36192	4.1
89.02452	12.9
96.68159	3.9
98.22556	5.9
101.02456	9.4
107.01412	21.5
113.02443	7.8
123.77419	4.1
125.02441	12.4
131.71880	4.2
135.00914	12.3
147.74913	4.4
151.00392	16.1
157.18565	4.1
161.04544	5.9
165.37036	4.6
166.02708	100.0
167.03519	22.3
170.52171	4.5
174.46710	4.8
221.58304	4.3
225.07698	4.3
241.70708	4.0
371.09824	45.7
427.69846	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	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.3
57.06087	2.1
59.01380	100.0
60.01707	7.9
61.01786	2.6
61.98825	4.4
64.58855	2.0
65.47668	2.1
66.36137	2.0
69.20286	9.4
71.01387	15.2
73.02950	11.0
75.00866	2.3
82.54347	2.4
83.01384	2.9
85.01830	2.2
85.02955	7.3
89.02441	13.1
92.30265	2.4
98.21909	5.7
101.02421	10.8
105.24113	2.7
111.35374	2.4
113.02435	9.6
119.03506	3.7
125.02441	3.3
143.03514	2.7
157.63538	2.1
161.04555	2.7
224.13518	2.5
225.13942	2.8
285.83878	2.2
370.19571	5.7
388.20895	4.2
430.22238	4.5
431.22623	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	430.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.8
61.98841	5.8
69.27426	21.1
71.01384	23.8
73.02946	8.3
85.02926	9.6
89.02451	10.9
101.02425	16.0
113.02462	8.3
121.02956	100.0
122.03255	43.2
125.02457	34.5
135.51428	4.5
153.09187	10.3
161.02405	5.9
161.04503	10.5
166.05029	6.1
169.31020	4.4
187.44968	4.5
196.05740	5.6
223.13257	8.0
226.08118	7.1
385.18716	18.9
387.20374	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.8
61.98841	5.8
69.27426	21.1
71.01384	23.8
73.02946	8.3
85.02926	9.6
89.02451	10.9
101.02425	16.0
113.02462	8.3
121.02956	100.0
122.03255	43.2
125.02457	34.5
135.51428	4.5
153.09187	10.3
161.02405	5.9
161.04503	10.5
166.05029	6.1
169.31020	4.4
187.44968	4.5
196.05740	5.6
223.13257	8.0
226.08118	7.1
385.18716	18.9
387.20374	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
59.01422	0.6
61.37762	0.5
61.98825	1.4
62.60754	0.6
65.00316	0.7
69.35146	1.0
69.35546	1.8
70.63756	0.5
81.03439	4.4
83.01384	18.2
97.18108	0.6
98.21825	1.0
105.03396	0.7
107.01410	1.4
121.02942	2.1
123.04514	2.6
125.02444	100.0
126.02789	2.5
149.02448	3.8
151.00372	2.2
167.03526	5.1
249.18564	14.3
250.18872	0.8
293.17590	1.9
294.17938	2.0
372.64172	0.5
375.21744	47.7
376.21982	5.1
394.11746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33783	7.3
59.01358	16.2
61.30651	7.5
71.00581	9.8
84.00904	100.0
137.86467	6.5
141.41333	7.2
148.44267	6.6
148.66058	6.8
272.01657	6.9
349.20258	9.8
431.20923	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	430.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	15.0
69.60083	63.1
70.58571	17.4
73.61355	15.7
77.20468	14.4
80.45243	16.4
89.98981	13.8
125.02439	52.3
170.07706	14.7
246.75446	18.3
318.21448	18.5
321.20657	26.6
322.21036	60.8
335.21677	25.6
359.25754	100.0
387.25500	50.9
431.28317	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	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
61.98819	0.5
63.02391	0.4
63.86517	0.2
65.00330	0.3
69.33689	1.1
72.69956	0.2
83.01396	0.5
89.02393	0.2
91.01866	0.2
93.03446	1.4
107.01384	1.6
109.02949	0.6
113.02475	0.2
125.02446	0.4
130.04204	0.3
131.05067	0.4
132.02190	0.5
135.00899	1.7
143.05057	1.0
145.03012	0.3
145.06525	0.3
151.00352	1.4
153.01917	0.3
157.06584	0.8
159.04523	1.1
163.00349	1.8
164.01176	0.4
165.01894	0.4
167.05096	0.5
169.06601	0.9
171.04488	0.6
183.04488	1.5
185.02396	0.3
185.06076	2.4
187.03984	2.9
189.05603	0.5
190.99915	0.3
195.04507	0.8
196.05348	0.3
197.06017	0.8
199.04019	1.1
200.04767	0.4
201.05573	0.4
211.03973	2.8
212.04623	0.5
213.05548	1.6
217.04968	0.3
223.04065	0.5
227.03493	51.3
228.03880	2.5
229.05037	9.9
230.05328	0.6
239.03474	1.7
240.04236	0.6
241.04970	1.5
243.03018	0.5
255.02979	73.5
256.03580	8.8
257.04532	6.3
267.02914	1.0
268.03644	0.3
283.02380	0.3
284.03265	65.1
285.04028	100.0
286.04373	6.3
327.05194	0.5
431.09805	62.0
432.10123	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	431.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13718	0.4
59.01375	27.6
60.29671	0.4
63.02380	1.0
65.00324	3.0
69.23219	1.0
69.23603	1.1
71.01369	2.9
73.02936	1.5
78.33620	0.5
83.01376	1.9
85.02929	0.7
87.00851	0.5
88.98796	1.0
89.02429	1.4
93.03499	0.4
101.02431	1.9
107.01371	5.5
108.02131	0.6
113.02457	0.9
114.97571	0.5
117.03471	3.4
135.04488	0.5
137.02409	1.6
137.06035	0.6
149.02492	0.9
149.99577	1.0
151.00363	11.0
151.04053	0.5
152.00693	0.5
155.04994	0.9
159.04495	0.9
161.02391	0.7
161.04572	1.1
168.87239	0.5
169.06534	2.1
180.05812	1.2
181.06532	1.6
183.04500	1.4
188.53487	0.5
195.04657	0.5
196.05298	3.2
197.06061	4.0
199.04099	0.7
209.11818	20.6
210.12161	0.5
224.04732	1.3
225.05542	8.8
226.05908	0.6
227.03555	0.8
229.04906	0.5
239.07352	0.5
240.04311	0.9
249.15027	0.5
255.03078	1.1
267.02991	1.1
268.03760	7.5
269.04529	100.0
270.04858	5.8
283.06052	1.1
284.03220	0.6
285.04031	0.7
311.05695	2.5
376.88757	0.5
409.67676	0.6
415.09598	0.5
430.21735	1.1
431.09799	81.8
432.10132	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	431.0979
Annotation	Galanginin
Peak:m/z	Relative Intensity
52.50414	0.3
59.01376	89.7
60.01708	0.4
61.98820	1.6
63.02424	0.7
64.12527	0.3
65.00311	2.7
71.01379	6.2
71.44901	0.3
73.02951	2.3
83.01376	1.8
85.02943	2.4
87.00877	0.7
89.02451	1.8
91.60117	0.2
93.03454	0.4
94.00626	0.5
95.01394	0.5
97.02959	0.3
97.06619	0.3
99.00891	0.8
101.02442	3.3
107.01379	4.9
110.03730	1.3
113.02452	3.0
117.03468	3.4
119.03508	0.5
121.02955	0.4
122.00062	0.4
122.03722	2.4
125.02436	0.5
132.02121	0.4
135.00926	0.3
135.04494	0.3
137.02481	0.3
137.06078	0.7
143.03519	0.5
143.05031	0.5
144.61613	0.2
145.02930	0.4
149.02490	0.4
149.99565	1.0
150.06760	0.3
150.99142	0.6
151.00366	11.9
152.00726	0.4
155.05060	1.0
157.06554	0.5
159.02966	1.1
159.04506	0.5
161.02487	0.6
161.04549	8.4
163.00354	0.5
167.20210	0.3
168.05734	0.4
169.06544	2.1
170.51933	0.3
177.01860	0.3
180.05830	0.9
181.05098	0.5
181.06535	1.9
182.03667	0.4
183.04515	0.9
183.10248	1.1
185.06094	0.7
194.09433	2.0
196.05284	2.0
197.06049	2.5
199.03973	0.6
200.08862	0.3
201.05568	0.5
207.10220	0.6
209.11816	58.2
210.12260	1.6
211.03763	0.4
224.04759	1.1
225.05557	9.2
226.05984	0.3
227.03575	0.5
227.07130	5.4
240.04259	0.7
241.04903	0.4
249.06261	0.5
253.04980	0.5
254.07869	0.3
267.03070	0.4
268.03760	5.7
269.04523	100.0
270.04861	5.1
281.04474	0.8
282.05212	0.4
283.06049	1.4
292.17441	0.3
293.04785	0.4
296.05841	0.3
311.05676	2.8
371.17188	1.4
401.21686	2.7
431.09784	82.5
432.10132	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	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98791	0.4
55.63853	0.5
59.01374	2.0
60.20665	0.5
60.99304	12.7
63.27648	0.5
70.25496	0.8
71.01392	1.3
78.95894	0.5
85.57600	0.4
87.00863	0.6
88.98803	100.0
89.02441	9.0
89.99138	0.8
93.74909	0.4
96.96909	0.5
115.00365	0.8
121.38438	0.4
133.01430	1.2
151.07614	0.9
195.06685	0.6
234.74489	0.4
341.10822	1.4
342.11020	1.1
357.11847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.119
Annotation	Griselinoside
Peak:m/z	Relative Intensity
53.25422	1.3
55.09975	1.4
55.76259	1.4
57.03455	2.1
59.01378	21.0
61.98844	8.1
62.29842	1.2
68.91422	1.3
69.38074	5.3
71.01387	10.3
72.49181	1.4
73.02942	3.3
82.95421	6.6
85.02944	3.8
86.18552	1.3
89.02450	5.9
95.01379	2.9
97.02943	1.9
99.00880	2.1
101.02438	7.5
108.02155	2.7
111.00876	1.9
113.02436	5.6
117.05582	2.0
119.03491	2.0
121.02941	1.4
123.00900	4.0
123.04555	2.4
124.01675	7.5
124.98805	6.0
125.02453	11.0
126.84369	1.3
135.04610	1.5
136.01671	4.7
136.05269	3.4
136.68776	1.5
138.05641	2.1
139.00369	13.9
141.01921	1.9
149.06081	2.0
150.03178	2.2
151.00375	4.8
152.01151	3.9
153.01956	3.1
161.04576	3.2
164.04939	1.4
165.05566	44.2
166.05939	1.7
166.99870	4.4
167.03450	1.9
168.00650	2.9
169.01442	11.8
173.02448	2.2
174.78076	1.2
175.04044	1.9
177.05583	2.1
178.87877	1.3
180.04349	1.8
181.01442	5.3
181.05045	5.7
183.03024	2.6
191.03508	11.1
192.04282	25.5
193.05049	73.8
194.05424	4.7
195.02953	2.5
195.06633	11.8
207.06609	24.0
208.03761	5.9
209.04532	11.3
210.05342	11.5
223.06210	3.8
225.04085	2.5
226.04828	4.5
237.04028	14.6
241.07266	1.6
251.05600	24.7
251.09248	3.1
253.03539	4.3
254.04305	22.5
255.04813	1.5
267.05118	3.2
269.06653	100.0
270.07043	5.4
328.66541	1.2
329.06226	1.8
431.11603	12.4
431.15756	11.8
431.22018	1.8
431.23581	1.3
432.12097	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	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
57.60226	0.4
58.48586	0.5
59.01378	20.6
70.06124	1.2
70.75809	0.5
71.01383	9.5
71.42192	0.5
72.99302	1.9
73.02934	2.4
83.01389	1.3
85.02943	2.7
89.02442	7.4
93.03456	48.8
94.03811	0.7
99.00846	1.5
99.04556	0.7
101.02440	6.1
102.99075	0.5
105.03496	0.6
113.02476	3.9
119.03501	2.3
121.02890	1.2
123.04507	1.2
124.01629	0.9
124.98785	0.7
125.02453	7.5
131.03461	0.7
137.02441	100.0
138.02777	2.4
139.00366	1.3
143.03459	1.1
149.02440	6.8
149.04465	1.2
151.04010	1.5
153.01958	1.2
161.02428	2.3
161.04565	2.3
164.04761	0.5
165.05565	4.5
168.00620	1.3
169.01433	1.6
175.03989	0.6
177.05534	0.6
179.03543	1.2
179.05588	1.6
181.05109	2.3
186.81630	0.6
192.04332	0.6
193.05025	7.4
197.04436	0.7
209.04562	21.4
210.05185	1.3
225.03990	3.7
237.04091	0.7
239.05681	0.7
249.06213	1.3
253.03488	1.8
254.04303	1.9
255.04907	0.7
269.06662	8.1
269.17517	1.0
270.07080	0.7
287.05499	0.6
289.07260	0.5
355.13092	1.2
399.08765	2.7
431.12082	4.8
431.23163	1.9
432.13666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1344
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.82314	0.7
53.47066	0.5
57.03445	12.6
59.01111	0.7
59.01381	8.9
60.97322	0.5
61.98816	0.6
65.03946	1.8
67.01889	2.8
68.99816	0.8
71.01373	2.6
73.02935	1.0
80.91689	0.6
81.03456	0.8
83.01381	2.2
83.05016	1.5
85.02919	1.5
89.02448	1.2
95.05024	0.8
97.06593	1.2
99.00861	0.6
101.02438	2.0
107.05023	7.0
109.02955	3.2
109.36051	0.5
113.02441	1.0
113.06247	0.6
121.02956	1.4
125.02444	100.0
126.02764	2.7
133.02945	1.1
137.02495	0.8
147.04578	0.6
147.08168	0.6
149.02486	1.2
151.04004	41.4
152.04346	1.5
153.05580	0.7
158.03781	0.9
161.02545	0.6
173.09702	0.5
174.03223	0.9
175.04115	0.6
175.07669	0.6
177.01913	7.1
177.09242	0.7
183.13937	2.3
189.02103	0.5
192.00854	0.6
193.08748	0.8
201.09253	1.4
215.03613	0.6
217.08553	0.6
227.03523	3.1
227.07178	0.6
227.12885	7.3
229.05132	0.8
233.11839	0.7
242.02277	1.2
243.10335	0.6
245.08257	1.0
255.03033	4.3
256.03650	0.9
257.04514	0.8
280.73877	0.7
284.03256	4.4
285.04010	5.5
305.10272	18.5
306.10767	1.1
309.11383	0.7
317.14078	0.6
355.11743	0.8
369.13364	0.6
381.09872	0.6
385.13025	0.6
399.10837	1.4
413.12387	11.2
431.13724	29.6
431.22141	4.4
432.14032	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	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01992	0.6
58.01472	0.6
59.01374	7.3
59.73083	0.6
59.85102	0.7
61.50775	0.6
69.21198	4.0
71.01369	3.0
73.02931	0.9
77.67384	0.6
85.02967	0.8
88.98824	0.6
89.02455	2.5
98.21891	1.4
101.02425	1.7
113.02454	1.8
119.03504	1.4
124.01634	0.8
135.04543	1.4
161.04521	0.7
163.04002	14.1
164.04720	0.6
165.01906	5.8
166.02757	0.8
167.03476	1.3
180.04276	81.6
181.04637	2.1
195.06592	3.5
196.06770	0.6
207.02945	1.8
227.07147	2.8
239.05595	95.5
240.05882	4.1
254.07942	71.5
255.08331	3.3
269.10284	100.0
270.10648	5.3
370.91531	0.6
371.09763	0.8
431.15161	4.1
431.23108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1555
Annotation	8-O-Acetylmussaenoside
Peak:m/z	Relative Intensity
55.01882	9.2
57.03446	6.0
59.01377	80.5
60.22268	1.1
69.03450	2.4
71.01379	91.8
72.01692	1.9
72.99297	3.2
73.02942	35.9
73.24193	1.0
75.00844	1.2
83.01382	17.5
85.02945	46.8
87.00867	5.3
88.98813	1.1
89.02441	23.2
95.01388	7.6
97.02948	4.2
99.00879	11.2
101.02441	78.7
107.04982	1.7
112.01649	1.8
113.02448	52.2
113.29417	1.0
116.99274	1.5
119.03493	7.1
124.01662	5.0
125.02467	7.5
126.10112	1.3
131.03441	2.5
137.02380	1.7
143.03516	5.2
151.00392	1.8
159.02989	8.4
161.04543	47.7
163.07626	3.5
179.05586	1.5
191.07245	6.0
193.04936	1.3
203.07118	1.9
207.10242	18.1
209.08183	20.4
221.06799	2.7
251.09270	3.2
269.10291	74.7
270.10727	4.0
282.91162	1.4
371.13504	1.6
431.15613	100.0
432.15964	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01873	3.4
57.03442	2.5
59.01377	55.7
61.98807	1.1
69.03453	1.3
69.81628	3.1
71.01379	53.8
72.99300	1.8
73.02942	10.6
80.91673	10.2
83.01382	8.9
85.02944	20.0
87.00860	4.3
88.98822	2.7
89.02442	42.6
90.02769	1.5
91.05535	1.3
93.03472	2.1
95.01391	2.6
98.58139	1.0
99.00867	4.1
101.02441	35.5
108.02110	1.2
110.45229	1.2
113.01705	1.3
113.02448	16.6
119.03500	8.7
123.04514	5.8
124.01661	1.5
125.02451	6.3
131.03506	23.8
135.04559	1.3
136.05243	1.8
137.02477	2.7
137.06065	1.6
138.01956	4.8
139.03978	1.9
143.03508	1.3
143.88823	1.2
149.04555	23.3
149.05759	1.1
161.04581	10.4
163.06070	1.2
165.05493	1.2
167.03462	1.9
169.05052	1.5
179.05525	2.3
181.04997	1.2
191.05611	32.7
193.05003	1.4
195.06619	2.9
207.10182	2.6
209.08247	4.8
209.11830	100.0
210.12149	4.8
222.03673	1.2
233.06636	18.7
249.06088	1.5
269.06754	1.6
269.10129	3.7
269.17648	2.6
293.08670	3.8
299.11340	2.9
329.06400	2.4
431.10724	3.3
431.16214	23.6
431.22931	3.7
432.16183	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	431.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30076	3.0
59.01379	100.0
61.98829	34.7
63.10210	3.0
63.51131	2.9
69.37718	15.4
71.01384	28.2
73.02934	18.5
74.04247	3.0
75.00850	5.0
83.01402	6.0
85.02948	12.6
87.00858	3.8
89.02448	14.1
97.14426	3.2
100.80000	4.1
101.02450	23.7
113.02447	15.2
119.03507	3.5
124.85179	3.0
140.76988	2.9
161.04529	6.0
169.37776	3.8
181.12326	11.5
209.11955	3.8
249.06084	5.8
263.14963	11.7
300.89355	3.3
395.19269	51.0
431.16800	40.7
431.22989	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	431.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01379	28.9
61.98837	1.4
71.01382	11.3
71.45221	0.9
73.02953	4.4
75.00866	1.7
79.83935	0.9
83.01405	2.0
85.02947	6.7
88.98844	2.3
89.02454	6.2
93.03497	1.4
95.01385	1.4
97.03011	1.4
99.00901	1.8
99.04524	3.8
99.35368	0.8
101.02441	6.8
107.01389	1.4
111.04506	3.7
113.02448	4.8
125.02452	1.7
129.05582	1.1
135.00891	1.9
137.09735	1.6
159.04558	1.4
161.04550	3.1
163.00395	2.2
165.01942	1.1
171.04596	1.0
179.05644	1.2
185.06053	1.4
187.03998	1.9
199.04153	0.8
199.62030	0.9
209.11801	1.4
211.04112	2.8
213.05618	1.6
227.01237	2.1
227.03497	42.7
228.04001	1.5
229.05081	7.9
233.15379	1.9
239.03574	1.3
241.05121	1.5
255.02974	66.0
256.03543	7.7
257.04504	5.8
262.38382	1.1
269.14081	2.3
269.17624	1.7
284.00607	0.9
284.03262	61.7
285.04031	100.0
286.04468	5.0
347.98306	0.9
350.16354	1.0
431.09906	62.3
431.16287	3.0
431.22861	45.4
432.10336	3.8
432.23206	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58114	1.6
55.01901	2.1
82.20753	1.9
93.03424	2.1
99.92577	67.3
100.93359	52.1
101.93346	2.6
102.72883	1.9
106.04264	5.3
110.03732	3.1
115.92078	48.3
116.92862	3.5
123.00990	2.3
134.03723	10.5
135.04527	8.3
137.02437	4.7
147.04547	10.5
151.03996	3.1
161.06065	7.0
175.03963	2.0
179.03500	3.1
189.97218	2.4
202.98029	2.5
218.97559	3.7
230.97615	3.1
279.07391	2.3
305.21265	2.2
329.24847	80.2
330.25317	7.2
333.20709	40.5
333.24179	2.0
334.21075	4.3
355.09857	2.1
359.25888	11.9
387.25470	4.9
388.26208	2.4
413.17932	27.3
414.18173	4.5
431.18927	100.0
431.28119	6.8
432.19162	16.9
445.16827	37.9
446.17087	3.5
447.73395	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	99.1
60.01708	1.2
67.43254	0.5
69.26521	0.5
69.39521	0.9
69.39911	1.1
71.01390	2.1
73.02941	0.9
85.02950	1.0
97.55066	0.5
98.22635	1.1
101.02428	1.3
108.02175	4.1
109.02976	1.5
113.02436	0.7
117.59570	0.5
120.16367	0.5
123.04524	1.1
137.02429	7.2
138.03174	1.2
151.04004	1.4
161.04532	2.7
177.09239	1.0
191.10797	0.5
193.08693	1.3
194.09442	3.3
209.11819	100.0
210.12128	4.6
223.25101	0.5
226.08447	0.6
231.88495	0.6
255.02892	0.9
284.03317	1.2
285.04031	1.7
371.17017	1.0
431.09720	1.1
431.22906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10199	0.8
54.11466	0.6
59.01376	100.0
61.98834	1.6
69.22575	4.4
71.01370	4.4
73.02949	1.2
85.02939	1.6
89.02444	1.4
101.02463	2.8
113.02447	1.4
122.03764	2.9
131.05534	0.8
136.05298	3.6
141.47086	0.8
159.03033	0.9
161.04558	6.7
176.06268	0.9
194.09581	1.8
209.11824	70.0
210.12267	2.7
212.03752	0.8
218.85249	0.7
227.08331	0.7
239.05566	1.6
248.32851	0.7
274.34113	0.7
281.97156	1.1
371.17166	1.0
431.09937	0.8
431.22937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01686	0.8
61.98827	3.1
69.69054	2.0
70.81193	0.5
71.01382	7.3
73.02943	2.5
77.00952	0.4
83.01383	0.7
85.02955	2.9
87.17338	0.5
89.02456	1.1
91.88700	0.4
99.00887	0.6
101.02440	3.8
107.01387	0.5
109.96161	0.5
113.02452	3.4
122.03706	2.4
125.02468	0.8
134.70157	0.5
137.06126	0.7
151.00378	1.5
159.03020	1.2
161.04582	7.6
194.09564	1.6
197.06081	0.6
209.11826	59.3
210.12250	1.6
225.05623	1.3
268.03839	0.8
269.04541	15.3
270.04810	0.7
273.27206	0.6
360.41971	0.6
371.17126	1.4
431.09796	11.4
431.23068	1.4
432.10428	1.0
434.95425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98820	2.5
69.41508	2.5
71.01386	3.3
73.02911	0.8
75.04691	0.5
85.02950	1.2
89.02433	0.8
90.37962	0.6
101.02456	2.2
113.02465	1.0
121.73477	0.5
122.03735	19.2
137.06081	42.1
138.06451	1.3
161.04523	2.7
168.25798	0.5
209.11838	49.7
210.12195	2.1
225.26666	0.5
277.51895	0.7
340.16211	0.5
371.17145	1.0
431.23383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
59.01370	0.4
61.98822	0.2
62.54486	0.2
66.96626	0.2
69.17834	1.1
78.95902	7.6
90.14739	0.2
93.16295	0.2
96.37743	0.2
96.96964	1.3
109.02944	1.7
110.03721	3.2
123.00868	0.9
124.01656	0.6
125.02482	1.3
137.02403	1.0
138.03223	7.4
139.03584	0.3
142.02745	0.7
150.97931	0.3
151.04001	0.7
152.99582	16.7
162.01143	0.2
165.01917	0.5
166.02718	6.5
167.03310	0.3
171.00620	0.6
172.77818	0.2
179.03490	4.7
180.04268	1.6
193.05061	1.2
198.01653	0.7
221.08228	0.7
222.08928	0.9
249.11261	0.5
279.12256	0.4
303.16064	1.2
303.19223	0.3
320.16458	0.3
321.16983	0.3
321.20691	4.5
322.20963	0.6
331.18970	0.7
347.25723	0.3
349.20172	100.0
350.20496	7.8
371.17227	0.9
378.89883	0.3
393.30154	0.9
413.18021	0.4
431.21481	0.8
431.27142	0.3
432.12531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98821	1.2
66.29469	0.8
69.65413	2.4
69.65783	1.5
78.95432	1.2
78.95899	23.7
95.01384	3.9
96.02161	0.9
96.96960	2.3
98.00092	1.2
98.22680	0.9
109.02962	0.8
112.86964	0.8
122.99979	1.3
123.00882	26.8
124.01659	3.5
137.02443	6.8
141.86816	2.6
151.00368	2.7
152.01193	1.4
152.98329	1.9
152.99577	36.8
165.01935	14.2
165.05692	0.7
165.09235	1.4
171.00647	1.6
179.07138	1.6
179.10957	0.9
193.08691	3.6
207.10239	3.2
221.08134	0.9
253.17165	0.8
263.12906	1.2
305.17651	0.9
306.18298	1.4
308.98483	0.9
321.20813	1.3
334.17871	6.4
346.88464	1.1
349.20169	100.0
350.20520	8.3
371.18185	1.0
410.88187	0.9
431.20990	4.7
431.98627	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	431.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96386	0.4
63.96395	0.3
69.50272	1.3
74.76093	0.4
75.56142	0.3
78.95902	69.5
96.96958	5.6
97.33047	0.4
150.98047	1.5
152.99585	100.0
153.99927	1.1
171.00629	2.5
195.06674	0.5
277.21796	1.5
281.17538	0.6
385.30127	0.4
431.22040	12.8
432.22284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.96387	0.2
69.07319	0.7
69.07742	0.9
78.95899	54.7
96.96005	0.7
96.96954	6.4
109.47309	0.3
126.05070	0.3
126.26981	0.2
127.73669	0.3
150.98004	1.8
152.99582	100.0
153.99948	0.9
171.00639	4.5
186.66312	0.2
192.72971	0.2
219.11092	0.3
277.21677	0.6
397.34723	0.2
431.22012	6.9
432.22348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03443	0.8
59.01377	100.0
60.01711	1.4
61.08817	0.6
61.98826	10.3
64.92350	0.7
66.66637	0.6
69.52272	1.6
69.52623	1.3
70.30522	0.6
71.01377	15.7
73.02945	25.4
75.00893	0.6
79.45332	0.6
83.01394	6.1
83.58400	0.7
84.99397	0.6
85.02955	5.0
87.00878	0.8
89.02442	8.2
95.01378	1.0
97.02962	0.9
97.65125	0.7
98.22584	1.3
99.00877	1.0
101.02441	20.7
111.08173	1.0
113.02444	10.8
119.03538	2.7
122.03721	0.8
125.02444	1.4
125.99621	0.9
131.03517	1.6
137.06084	1.0
143.03535	1.5
149.04585	2.5
149.09691	0.6
153.09218	7.4
155.03473	0.6
158.22765	0.7
161.04582	6.9
164.72350	0.6
179.05655	1.2
193.05148	0.8
203.05739	0.7
209.11871	2.5
209.15480	5.9
227.16512	1.0
269.14023	0.8
365.87799	0.7
371.20786	6.2
389.21957	1.8
403.19983	0.7
431.19064	8.5
431.23212	9.2
432.23764	1.1
458.66055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61597	0.5
55.01877	2.0
57.03440	2.0
59.01377	100.0
60.01724	1.6
61.98832	2.9
69.03463	0.9
71.01379	22.9
72.99300	0.6
73.02943	37.7
74.03315	0.8
75.00865	1.1
83.01368	4.2
85.02946	8.9
86.00080	0.7
87.00870	1.3
89.02445	10.1
89.02990	0.6
93.03443	0.6
95.01394	2.0
97.02977	0.8
99.00889	2.3
99.04466	1.1
101.02443	20.8
102.02747	0.6
107.01378	0.9
109.02946	1.3
113.02446	10.9
119.03487	3.8
125.02448	1.4
129.01926	1.0
131.03456	0.7
135.00883	1.3
137.02501	0.6
141.09218	0.7
143.03520	1.5
143.05063	0.6
147.04500	1.1
149.04559	0.8
151.00420	0.7
153.01868	0.7
159.02994	1.1
161.04547	5.2
163.00418	2.3
171.04520	0.6
179.05632	2.0
183.04399	0.6
185.06100	1.9
187.04012	1.8
199.04184	0.6
201.05563	0.6
211.04045	1.9
213.05505	1.1
215.03593	1.0
223.04221	0.6
227.03487	31.8
227.16559	4.4
228.03876	1.6
229.05003	6.8
239.03542	0.6
241.05055	1.4
243.19543	0.6
253.18181	0.7
255.02968	49.7
256.03607	6.1
257.04517	4.4
267.03064	0.6
269.17584	1.1
284.03253	47.2
285.04019	74.3
286.04486	4.0
371.20587	4.9
387.23923	1.0
389.21738	7.6
413.21771	0.9
431.09860	44.2
431.22885	57.3
432.10303	3.8
432.23175	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	431.2285
Annotation	Radiosumin
Peak:m/z	Relative Intensity
53.90500	0.4
53.93408	0.5
55.01879	3.5
57.03437	2.8
59.01377	48.1
61.98831	2.8
68.99817	0.5
69.74608	0.7
69.74960	1.3
71.01377	24.4
72.99295	0.4
73.02940	12.2
75.00876	0.6
83.01379	8.0
85.02946	16.3
86.00082	2.0
87.00877	1.5
89.02438	3.9
95.01379	2.5
98.21861	0.5
99.00871	4.8
101.02438	26.4
102.02745	0.8
111.00902	2.4
111.08093	0.5
113.02442	9.8
119.03509	2.3
125.02435	1.8
135.00847	0.6
141.01909	0.5
143.03516	0.9
143.51303	0.4
155.10803	0.6
159.02979	1.7
159.04324	0.6
161.04555	3.7
170.54315	0.5
179.05705	0.7
187.03996	0.7
189.12781	0.6
209.11792	2.3
211.03983	1.0
213.05510	0.5
225.18610	1.3
227.03476	12.7
229.04921	3.0
243.19630	0.6
255.02971	22.0
256.03586	2.2
257.04492	1.6
269.14029	0.9
269.17569	1.4
284.00116	1.0
284.03253	19.2
285.04010	30.9
286.04462	2.0
286.50851	0.5
371.20581	1.2
387.23886	7.0
389.21814	0.7
431.10034	18.1
431.22836	100.0
432.10214	1.2
432.23199	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	431.2289
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01860	1.6
57.03436	3.1
57.08792	1.0
59.01377	100.0
61.98832	9.8
69.46590	4.4
71.01379	34.3
73.02944	16.6
75.98733	1.1
83.01378	7.9
85.02951	13.9
87.00870	2.1
87.04504	1.6
88.98804	1.1
89.02444	18.2
93.03455	1.3
95.01357	2.7
97.02972	1.1
98.22705	1.3
99.00864	3.7
101.02445	25.9
104.31168	1.1
106.20519	1.1
109.02953	1.5
110.01613	1.1
111.18681	1.1
113.02451	15.9
119.03490	6.8
125.02454	7.1
131.03442	1.4
151.03941	2.2
161.04518	4.0
161.25011	1.2
165.02072	1.4
165.05560	1.6
193.04971	1.2
211.04251	1.5
227.03479	11.4
227.16379	1.9
229.05112	3.5
251.16566	1.7
255.02954	19.4
256.03604	1.4
257.04489	2.0
269.14063	1.3
269.17508	3.9
284.03268	16.0
285.04025	28.1
286.04391	1.2
371.20639	6.0
389.21634	9.6
431.09845	17.1
431.22827	93.2
432.10092	2.1
432.22913	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03443	0.8
59.01377	100.0
60.01711	1.4
61.08817	0.6
61.98826	10.3
64.92350	0.7
66.66637	0.6
69.52272	1.6
69.52623	1.3
70.30522	0.6
71.01377	15.7
73.02945	25.4
75.00893	0.6
79.45332	0.6
83.01394	6.1
83.58400	0.7
84.99397	0.6
85.02955	5.0
87.00878	0.8
89.02442	8.2
95.01378	1.0
97.02962	0.9
97.65125	0.7
98.22584	1.3
99.00877	1.0
101.02441	20.7
111.08173	1.0
113.02444	10.8
119.03538	2.7
122.03721	0.8
125.02444	1.4
125.99621	0.9
131.03517	1.6
137.06084	1.0
143.03535	1.5
149.04585	2.5
149.09691	0.6
153.09218	7.4
155.03473	0.6
158.22765	0.7
161.04582	6.9
164.72350	0.6
179.05655	1.2
193.05148	0.8
203.05739	0.7
209.11871	2.5
209.15480	5.9
227.16512	1.0
269.14023	0.8
365.87799	0.7
371.20786	6.2
389.21957	1.8
403.19983	0.7
431.19064	8.5
431.23212	9.2
432.23764	1.1
458.66055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2798
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
51.26373	0.4
52.59718	0.5
57.03453	0.9
58.39471	0.5
59.01377	3.3
68.99789	0.7
69.60554	1.6
69.60902	0.6
78.22156	0.6
79.05518	1.5
81.03452	1.3
83.05009	0.9
93.03430	0.8
97.02950	5.3
98.90651	0.5
99.92578	2.1
100.93348	1.7
105.03447	1.0
106.91983	0.6
107.05031	4.9
109.02946	3.8
109.06584	4.6
110.03760	0.8
111.04543	2.8
115.92087	3.5
121.02974	0.5
123.04522	13.1
125.06062	2.1
135.04536	3.5
137.02437	4.9
138.03198	1.2
147.04538	0.8
149.06056	2.5
151.03998	16.0
151.07646	0.6
152.04610	0.8
153.05573	18.5
161.02461	0.6
165.05554	1.0
167.07094	0.8
175.03976	0.9
177.05544	1.5
179.03516	0.8
180.04272	1.2
193.05157	0.9
195.06555	2.0
207.14122	0.5
253.21745	2.2
287.23822	0.9
305.24887	1.2
329.24841	6.9
330.25458	0.7
333.24277	1.0
338.27045	0.6
343.26346	2.6
345.27917	0.9
359.25891	1.9
361.27469	6.5
371.25894	9.8
372.26080	0.7
387.25400	1.0
389.26956	27.5
390.27634	2.5
413.17880	1.7
413.26828	0.7
431.18646	5.0
431.27994	100.0
432.19360	0.6
432.28351	9.2
445.16989	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	431.3163
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
50.47219	0.8
55.17112	1.0
59.01353	0.8
65.38304	0.8
69.96110	2.6
70.91650	0.7
71.01376	5.2
74.43496	0.8
78.95905	1.0
91.95561	0.8
98.21919	1.5
108.02150	4.3
109.94593	0.8
117.44106	0.8
123.04541	1.4
125.87309	2.5
146.31998	0.7
146.33327	0.8
152.99637	1.4
157.86266	1.0
182.75934	0.8
275.20239	5.7
297.22348	0.9
303.19604	6.8
313.25354	2.1
327.26822	1.5
329.28400	2.1
331.30045	2.7
341.28265	1.7
344.67368	1.0
353.28711	0.9
355.26334	1.9
357.27805	3.7
357.31628	2.7
359.33075	2.1
363.25357	2.6
369.27777	20.5
369.31622	24.8
370.28101	2.6
370.32111	2.8
371.29514	6.0
375.29092	4.7
387.32724	4.6
413.30554	11.2
414.30951	1.4
431.06522	13.6
431.31604	100.0
432.07104	1.1
432.31808	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	432.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	34.3
60.04487	0.9
61.98826	19.9
65.29305	1.0
69.61012	4.2
70.38718	1.0
71.01371	6.3
73.02934	2.5
78.03503	1.5
85.02966	1.0
89.02440	4.5
93.03456	2.3
95.01414	1.0
98.21891	1.6
101.02448	4.2
105.03455	1.2
109.02937	3.3
113.02430	4.0
119.03494	1.5
119.05031	1.2
121.02928	3.4
122.02472	14.2
125.02465	2.2
133.02962	3.6
134.03639	1.1
135.04565	1.2
136.01614	1.2
137.02428	4.4
138.03261	3.1
148.01668	1.1
149.02457	4.3
150.03236	1.3
151.00346	3.2
151.04037	1.1
152.01175	2.1
153.01927	2.6
160.45526	0.9
161.02431	8.4
161.04529	2.2
162.03198	6.7
163.03906	1.4
164.01126	9.7
165.01921	42.0
165.85123	1.1
166.02626	1.4
173.02470	1.5
175.04037	1.6
176.01262	1.3
177.01930	23.7
178.02701	3.3
178.99803	3.2
179.03470	1.6
189.01947	2.8
190.02695	9.9
191.03529	1.1
192.00636	100.0
193.01398	45.7
194.02170	31.4
195.02876	4.7
205.01390	14.1
206.02220	11.3
207.02969	49.9
208.03400	1.4
209.04520	3.5
219.02960	1.9
221.00871	3.8
222.01677	11.0
233.03743	1.1
234.01682	35.3
235.02289	2.5
237.04015	11.3
243.03040	1.3
244.73796	1.1
249.04031	35.6
255.02798	2.2
255.05144	7.0
271.02475	5.3
271.06076	20.2
276.02679	2.6
290.03540	1.0
291.04977	2.4
294.03848	4.9
300.02667	9.1
301.03384	3.9
309.06149	17.4
310.90268	1.1
313.07178	1.4
417.07031	12.9
432.09335	31.0
433.07559	15.8
433.11749	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	432.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31498	0.8
57.63914	0.6
59.01377	29.1
60.01705	0.7
61.98829	100.0
66.81731	0.6
68.79176	0.8
69.31475	0.7
71.01371	6.1
73.02948	7.4
74.65713	0.6
75.00875	0.9
83.01398	1.3
85.02957	2.4
89.02441	3.1
89.11397	0.6
90.91250	0.7
100.48328	0.6
101.02448	8.6
109.83794	0.6
113.02440	4.3
119.03520	2.0
119.76581	0.6
125.02491	0.7
140.41158	0.7
143.03456	1.4
149.04565	1.2
161.04596	3.5
181.12372	1.2
182.12779	1.1
192.19339	0.7
250.06480	0.8
395.19089	0.7
432.19180	4.0
433.24625	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	432.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
57.18137	0.7
59.01380	18.2
60.01714	0.7
61.98829	19.2
64.06458	0.7
69.73575	1.7
69.73933	1.6
71.01379	17.7
72.99313	2.7
75.00868	10.6
78.94619	0.8
83.01385	1.6
85.02946	15.1
85.20393	0.9
87.00873	5.2
89.02440	6.0
91.04010	0.9
95.01394	2.8
96.95998	2.6
99.00890	6.2
101.02428	1.0
103.00374	2.5
103.01476	1.2
105.01939	3.3
109.02949	3.8
110.02478	0.9
113.02445	23.4
115.00375	1.0
117.01945	1.9
121.02957	1.5
123.03269	12.1
125.02483	1.0
138.05609	38.8
139.05977	1.0
153.01950	6.2
164.03526	4.9
165.08521	0.8
168.00627	1.5
168.04318	1.0
169.05060	1.5
175.02483	0.8
176.43094	0.7
178.61646	0.7
219.60164	0.9
226.67386	0.9
249.06137	20.3
250.06262	0.8
256.08325	0.9
267.07190	100.0
268.07489	3.6
273.11377	0.8
432.11423	12.4
433.09354	1.5
433.14111	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	432.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97736	0.2
54.20750	0.2
54.53884	0.2
59.01387	0.5
61.98827	100.0
62.98546	0.3
67.99476	0.3
69.41563	1.2
74.48682	0.2
77.62648	0.2
84.78766	0.3
85.74049	0.3
104.07787	0.3
114.75677	0.3
134.57861	0.2
141.87270	0.3
258.88434	0.3
269.39053	0.3
280.25998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89417	0.5
59.01376	59.6
60.01719	0.8
61.98827	100.0
69.24580	2.4
71.01380	3.5
71.01715	0.5
72.01711	0.6
72.49989	0.4
73.96650	0.4
80.99038	0.5
85.02976	1.3
88.67245	0.5
89.02436	2.3
95.01379	0.7
98.22684	0.5
99.74337	0.5
101.02454	1.5
113.02477	1.4
116.24129	0.4
119.03517	1.4
122.03658	0.5
125.02458	1.2
137.02405	0.6
139.37085	0.4
179.05641	1.0
189.05420	0.5
191.10733	1.0
207.10309	0.7
207.49814	0.4
227.03590	1.9
228.03876	2.8
230.71567	0.5
255.02957	3.7
256.03351	5.0
284.03397	2.4
285.03741	8.5
286.04337	8.8
351.14584	1.2
372.17578	0.7
397.15054	0.7
423.07758	0.6
432.10147	9.1
432.23297	1.4
433.10751	0.8
433.20807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.7
60.01711	2.8
61.67597	0.3
61.98831	100.0
69.32468	0.3
71.01386	1.4
73.02981	0.8
85.02970	0.9
89.02477	0.6
101.02473	1.3
107.76648	0.4
112.98227	0.4
113.02457	1.0
122.03744	3.7
123.04110	1.6
137.06091	8.1
138.06412	4.2
138.07179	0.3
146.00189	0.4
161.04611	1.2
209.11833	6.5
210.12163	8.9
210.20535	0.3
238.15051	0.4
270.17941	0.4
371.21042	0.5
372.17068	0.8
372.21280	1.2
390.70944	0.4
432.23648	0.9
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
50.23037	0.2
59.01378	5.0
61.98829	100.0
69.31847	0.8
69.32244	0.4
71.01379	0.3
71.24921	0.2
80.13592	0.2
85.15245	0.2
89.02464	0.3
155.37181	0.2
210.12283	0.2
221.92249	0.2
269.93018	0.2
303.75034	0.2
372.17300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97832	0.3
59.01377	9.5
60.01719	0.3
61.98828	100.0
69.28066	0.9
69.28472	0.8
71.01392	0.9
73.02948	0.4
85.02985	0.4
89.02437	0.7
91.44025	0.3
101.02460	0.5
113.02479	0.5
119.03488	0.4
137.44850	0.3
162.62108	0.4
208.44122	0.3
209.11830	0.5
210.12247	0.6
217.58705	0.3
276.59619	0.3
289.89185	0.3
290.71597	0.3
432.23633	0.5
433.25037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20508	0.6
55.29161	0.5
58.37798	0.6
61.98818	1.0
64.32694	0.5
69.32973	2.3
69.33379	1.3
72.99309	0.7
75.34621	0.6
78.95915	1.2
79.94131	0.5
95.32859	0.6
102.20472	0.5
103.07631	0.5
108.02174	1.2
110.03706	1.3
114.23051	0.6
116.92848	1.1
122.03712	0.7
123.04524	25.0
124.04845	2.3
125.02444	1.0
135.33516	0.5
137.02448	5.6
138.03215	2.0
139.04062	0.5
151.03992	11.8
151.86183	0.5
152.04681	2.0
152.99597	1.5
165.05542	2.5
193.08685	0.6
193.12271	0.8
221.11775	1.8
247.17009	0.6
275.16571	1.6
275.20157	1.6
276.20459	0.8
289.21686	2.5
290.22034	0.9
293.17551	1.6
293.27194	0.5
303.19632	4.5
303.23019	1.0
304.20303	4.1
305.20996	1.6
316.20294	0.6
317.21179	5.4
318.21973	13.1
319.22333	2.9
333.24323	39.1
334.24655	9.0
363.25385	100.0
364.25723	24.0
364.30399	1.1
389.23245	5.1
390.09940	1.1
414.27240	0.6
432.06985	2.0
432.23685	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	432.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	8.4
59.93622	6.7
60.15952	8.3
61.98800	8.2
65.26583	9.2
78.95927	9.2
81.78565	8.6
104.95723	7.5
108.02150	17.8
121.02953	14.4
121.94440	7.2
135.13081	7.3
137.02464	29.8
138.03204	8.6
151.03947	10.2
152.99580	8.9
153.05554	21.4
264.67337	8.4
279.92764	8.4
293.17639	8.1
307.19336	10.9
308.23032	9.5
357.24146	8.3
360.26199	16.7
388.25885	13.6
389.26904	100.0
432.28821	18.7
446.04794	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	432.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
69.13184	13.8
72.84455	2.7
78.95890	7.6
98.21786	4.4
99.92577	10.3
109.02911	4.1
109.06583	3.4
110.03734	2.7
111.04524	3.8
115.92085	3.1
116.92845	8.0
123.00888	4.7
123.04496	7.6
129.92323	3.3
137.02400	3.0
151.04041	5.5
152.99562	9.1
153.05585	13.3
192.94580	3.9
194.44911	2.5
236.93475	3.5
248.93607	8.2
251.16522	3.9
277.93359	4.3
279.92856	2.6
280.92578	9.2
293.17651	15.8
293.20398	2.9
294.18130	3.0
361.27380	6.1
371.25809	4.0
372.13943	9.5
389.10605	16.3
389.22119	5.1
389.26944	72.3
390.10049	100.0
390.27139	6.5
414.46786	2.9
432.10660	17.0
432.15952	6.0
433.10590	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	432.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29540	3.2
59.01376	22.9
61.98809	3.7
65.20992	3.7
78.95909	12.9
81.03442	12.2
84.54990	3.4
95.01389	5.9
117.29548	3.7
120.27712	3.5
123.00878	53.9
125.87339	12.3
136.05319	3.7
137.02443	13.7
137.06073	54.8
150.82384	3.5
152.99568	17.9
165.01929	15.1
179.07141	32.7
197.20576	3.4
200.86974	3.4
224.67104	3.5
228.83595	3.9
248.88191	10.2
264.17307	6.4
270.45645	4.4
292.16821	13.5
307.19089	69.2
312.85736	3.5
370.28116	7.9
383.07071	7.1
389.26962	50.5
418.04123	9.9
432.31949	30.1
432.66687	4.6
433.06396	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	432.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48306	8.7
63.25934	11.1
64.66716	8.9
69.53291	15.9
69.53662	33.2
69.81055	7.8
72.54148	8.8
76.60460	10.1
86.94863	9.2
150.94583	10.0
192.01353	9.3
226.21869	8.5
228.14783	8.4
256.16226	9.3
303.23108	19.5
331.22833	67.7
332.23032	10.1
346.25143	12.1
358.12933	10.7
389.26953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01378	38.9
61.98537	0.8
61.98829	8.5
65.03949	1.0
71.01373	4.9
72.99315	4.5
73.02937	1.3
75.81002	0.4
81.03445	0.5
83.01378	1.4
83.05054	0.4
85.02925	2.2
87.00877	8.9
89.02441	2.2
89.03965	1.5
91.01891	0.9
91.05530	1.3
93.03437	2.1
95.04956	0.6
101.02444	3.0
105.03445	2.3
107.01409	0.8
107.05043	1.1
108.02166	5.2
109.02951	13.7
111.00881	1.0
113.02434	1.9
119.03505	0.7
119.05018	1.3
121.02954	5.2
122.02487	0.8
123.00905	0.9
123.04555	2.8
124.01696	1.3
125.02415	1.1
131.05046	1.4
132.02231	0.7
133.02948	12.0
135.04488	3.0
137.02429	1.8
139.03938	0.5
145.02962	1.0
146.03766	0.8
147.04491	3.3
148.01662	5.4
149.02444	12.0
151.00346	0.9
151.03984	4.5
152.01151	6.5
153.01938	14.7
161.02429	1.5
161.04544	0.9
163.03987	2.4
164.01164	0.5
165.01935	9.2
167.03496	1.3
174.03232	0.6
175.04015	4.3
177.01924	100.0
178.02245	3.1
179.03484	6.5
179.05763	0.5
187.04099	0.7
191.03442	1.4
192.00688	1.8
193.01125	1.9
194.01920	0.6
195.02975	27.4
196.03264	0.6
205.01447	0.5
207.02933	2.8
208.03391	0.6
217.05040	1.8
219.02959	6.0
234.01773	0.6
235.13371	0.7
249.03937	0.5
253.14442	1.3
255.05093	29.2
256.05325	1.0
261.03891	0.5
271.02493	1.9
271.06097	5.0
272.06442	0.5
279.05222	1.0
297.06274	3.2
300.02710	2.0
301.03455	1.2
321.17056	0.7
373.13107	0.7
403.13440	0.5
415.19672	7.7
433.07684	62.2
433.20636	33.4
434.07935	4.4
434.21045	1.1
451.12115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01370	2.5
71.01380	2.3
71.10020	0.9
71.47475	0.7
72.09250	0.6
72.77181	0.7
77.54913	0.7
77.74857	0.7
83.01358	1.0
85.02922	0.9
89.02453	1.8
96.58056	0.7
97.02933	0.7
101.02443	0.8
103.70207	0.7
107.01382	2.1
115.00409	1.1
115.28909	0.7
123.00895	6.2
124.01656	23.3
125.02449	26.8
133.01414	2.5
139.04016	1.7
149.02357	0.8
149.99582	30.1
151.00365	8.4
153.01935	0.7
161.04500	1.3
167.03534	1.1
168.00632	83.8
169.01408	6.1
171.29881	0.7
183.02979	1.3
183.20551	0.7
186.11098	0.9
215.72823	0.7
239.05519	0.8
257.06659	0.8
301.05640	2.7
301.09387	1.2
390.82742	0.7
399.36642	0.7
415.08759	1.3
433.09802	100.0
434.10080	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	433.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.8
69.03446	0.6
70.49730	0.9
71.01362	0.7
73.11004	0.5
89.02469	0.7
90.69029	0.6
91.66520	0.5
95.01396	1.0
97.02927	1.0
116.59152	0.6
123.00878	5.6
124.01663	22.8
125.02448	20.8
149.99579	35.2
151.00230	0.6
151.69365	0.5
167.03503	1.0
168.00638	100.0
169.01224	4.1
170.20210	0.7
216.64432	0.5
255.27687	0.6
301.05591	3.5
370.40689	0.6
415.08566	1.5
423.30994	0.6
433.09845	90.2
434.10336	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	433.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01374	13.0
61.98814	1.7
63.22247	0.5
67.01890	1.2
68.99813	1.1
69.03449	1.2
69.69659	2.0
71.01376	9.7
72.99297	3.7
73.02929	1.1
75.00869	9.3
81.03447	0.6
82.00613	0.6
85.02951	8.2
87.00871	2.8
89.02415	2.5
93.03430	1.2
95.01370	2.7
96.96003	0.8
97.02924	1.2
99.00879	6.0
103.00368	0.9
105.01931	0.9
110.00042	0.6
111.00864	1.9
113.02453	8.0
115.00382	2.1
117.01898	1.4
123.00872	4.6
124.00721	1.0
124.01654	18.4
124.84492	0.6
125.02431	1.7
127.00420	0.7
129.01949	1.2
135.15352	0.5
136.98761	1.8
138.03239	0.8
139.00351	3.0
139.04010	18.0
140.01172	4.1
142.56230	0.5
153.01929	1.7
166.99818	2.9
168.00629	22.6
168.04279	1.0
169.01378	1.2
169.05002	0.8
175.02481	1.0
181.01424	3.7
183.02979	38.8
184.03282	0.8
211.02461	0.9
231.05150	1.3
242.04227	3.5
249.03612	1.0
249.06126	13.1
255.05092	0.8
257.06595	2.0
267.07385	1.1
268.07568	1.0
356.07431	2.3
371.09769	2.3
373.07861	1.3
415.08734	4.7
433.09808	100.0
434.10095	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	433.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.6
70.01785	0.8
70.16648	2.1
71.01372	4.4
85.02964	4.9
89.02439	2.7
95.01405	0.9
95.05000	2.5
96.27496	1.1
96.99339	2.2
97.06609	4.4
99.00867	3.2
101.02430	2.7
109.06584	1.8
110.98592	0.9
111.00867	3.8
113.02419	1.8
116.92844	2.9
121.06587	3.5
123.00873	8.7
123.04509	1.2
124.01656	26.4
124.98804	35.6
125.02454	4.3
125.99181	0.9
129.91957	0.8
135.08170	0.9
137.02428	1.4
137.06017	4.1
139.00366	10.7
139.07582	1.3
141.05547	1.0
143.66846	0.9
147.04498	1.2
150.03204	2.9
153.01926	3.2
153.05595	0.9
155.07111	7.7
165.05563	42.6
166.05997	1.0
167.07158	1.2
181.04979	5.1
198.05377	0.8
199.06131	7.5
209.04549	26.4
210.04997	1.4
211.06107	2.5
225.04102	3.1
226.04805	14.7
227.05603	100.0
228.05963	1.9
265.67264	1.0
269.06683	1.8
389.10864	58.8
390.11258	2.9
433.09805	68.4
433.24725	1.7
434.10104	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76037	0.5
57.03434	2.0
59.01377	24.6
59.22659	0.4
59.81559	0.5
60.18226	0.5
61.98830	0.9
63.02399	2.6
65.00323	7.0
69.03448	2.2
71.01009	1.0
71.01379	11.7
71.07793	0.8
72.99306	10.0
73.02943	2.7
75.00876	4.7
81.03461	0.6
83.01384	7.7
84.95090	0.4
85.02944	8.7
87.00877	10.3
89.02447	3.7
93.03457	4.8
95.01375	1.9
97.02958	0.7
99.00868	2.9
101.02443	6.3
107.01391	15.3
109.02985	1.2
111.00896	1.0
113.02441	9.3
115.00346	0.5
117.01949	0.8
117.03425	1.1
119.03542	1.4
119.05025	30.0
120.05344	0.8
121.02962	0.9
123.00877	0.6
123.04532	1.1
125.02458	6.5
129.01926	0.8
133.02972	1.0
137.02446	1.1
137.35172	0.5
139.11337	2.2
140.55653	0.4
143.05031	1.4
145.02933	4.0
149.02458	1.1
151.00368	58.5
152.00726	1.4
153.01964	0.9
157.06538	0.5
161.02435	0.8
161.04552	2.5
161.06035	0.9
163.00343	0.6
165.01906	6.0
165.09122	0.6
166.02579	0.6
167.03438	1.3
169.01395	3.0
169.96590	0.4
175.02509	0.8
177.01897	5.2
179.05571	0.7
180.04294	1.3
180.18098	0.4
181.04556	0.5
182.04745	0.8
183.10268	7.4
185.05995	2.8
187.03899	2.5
189.04156	0.5
193.01324	2.4
197.06123	0.5
217.83150	0.4
219.02800	0.5
223.08046	0.5
227.07124	5.6
228.07466	6.4
231.04984	0.9
235.13443	1.1
239.05704	0.7
240.05861	0.7
241.06114	1.0
249.06126	6.0
253.05099	0.7
253.14452	2.0
254.07848	0.5
256.08527	1.0
267.07202	5.9
270.10770	0.7
271.06107	100.0
272.06451	6.2
313.06906	6.8
330.21759	0.5
343.08218	1.8
415.14914	0.8
415.19797	10.1
433.11304	19.5
433.16632	15.7
433.20837	30.3
434.11557	1.8
434.21674	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.4
58.00571	0.5
59.01376	33.1
59.01659	1.1
59.07742	0.5
61.98826	23.4
63.02387	3.3
65.00322	7.6
67.78732	0.4
69.03424	0.8
69.61311	1.5
71.01377	10.9
72.99258	1.5
73.02911	1.9
75.00846	2.1
83.01380	7.9
85.02945	4.8
87.00873	1.0
89.02442	4.3
93.03454	5.4
95.01364	1.5
96.95975	0.7
97.89982	0.4
98.21848	0.9
99.00865	2.2
101.01865	0.6
101.02441	5.8
107.01378	15.2
109.02930	0.6
113.01817	0.5
113.02455	5.9
113.06123	0.4
117.03436	0.9
119.03539	1.4
119.05020	31.2
120.05356	0.8
121.02943	0.8
124.01608	0.9
125.02466	4.2
129.01912	0.6
133.02873	0.5
137.02406	0.8
139.11255	0.5
143.05005	1.3
145.02953	3.0
149.02446	0.7
151.00363	61.3
152.00702	1.3
161.04568	0.9
161.05931	0.6
164.01143	0.7
165.01923	6.5
167.03545	0.7
169.01434	3.2
177.01903	7.0
183.10262	1.7
185.05991	2.5
187.03973	2.6
193.01399	5.7
207.02904	0.6
217.15913	0.5
227.07101	3.6
229.05109	0.6
249.06104	3.0
267.07150	3.9
271.06094	100.0
272.06454	6.0
313.06018	4.7
319.63394	0.6
361.18939	1.8
363.69357	0.5
372.07672	0.6
387.20456	1.6
397.18866	0.7
415.19995	1.1
433.12256	16.0
433.21182	23.0
434.11990	1.2
434.21240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.01866	3.0
57.03439	3.1
59.01377	28.8
69.03449	1.1
69.34421	1.9
69.34801	3.2
71.01379	72.3
72.01760	1.1
72.99287	1.0
73.02944	21.3
81.79122	0.7
83.01384	7.3
85.02944	25.9
87.00848	2.3
89.02438	14.5
95.01392	6.9
97.02937	3.1
99.00893	7.9
101.02441	33.0
113.02446	25.0
113.03235	1.1
121.02973	1.5
123.00883	33.8
124.01662	100.0
125.02534	7.4
131.03508	5.6
134.74770	0.7
136.64345	0.8
136.90741	0.8
137.02362	1.4
138.03232	16.4
139.04008	77.6
140.04324	1.8
143.03561	5.0
149.04524	2.8
149.99545	2.4
151.00299	1.8
151.04041	1.0
151.44269	0.8
159.02979	6.3
161.04555	74.9
162.04912	1.4
166.02609	0.8
168.00630	5.6
169.01338	1.0
181.04968	1.9
188.08855	0.9
191.05707	3.8
193.01445	1.4
193.05043	1.9
211.09718	1.9
249.05867	0.9
272.78271	1.0
293.08820	2.4
301.09262	47.7
302.09659	2.3
313.05597	1.5
433.09006	6.1
433.14374	18.9
434.13837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54542	1.5
57.03446	3.1
58.82402	1.3
59.01378	33.7
61.98832	8.2
71.01387	23.9
72.99296	1.3
73.02947	7.5
75.00868	1.4
82.95412	5.7
83.01361	4.1
85.02954	13.7
87.00886	3.0
89.02430	8.3
95.01369	2.2
95.04995	2.0
96.96020	3.3
97.02959	1.5
97.06567	1.8
99.00876	5.2
101.02436	12.8
107.05018	3.1
109.06539	1.8
111.00877	1.9
113.02454	10.3
119.03487	3.2
121.06583	3.7
123.00858	2.2
124.01678	2.8
124.98838	1.9
125.02433	6.0
133.06548	2.5
137.02429	1.9
137.06082	2.7
138.84229	1.5
139.04070	1.5
139.07623	5.6
140.01180	1.9
143.32608	1.4
148.05099	1.5
149.06059	5.0
149.69937	1.5
151.03905	1.5
153.01924	13.2
154.02663	4.3
154.99846	3.8
155.07108	4.8
159.03012	2.5
159.04375	1.6
161.04579	13.8
165.04349	1.8
165.05565	11.6
166.02672	2.9
169.01468	1.9
175.03937	2.4
176.04742	1.5
177.05566	36.0
179.03539	2.9
179.05620	2.6
181.04942	3.5
183.06586	1.8
193.05029	13.0
194.05852	20.9
195.06651	10.0
199.06084	3.1
209.04550	3.5
211.06023	3.0
211.09680	1.7
221.63625	1.5
225.04163	1.6
227.05597	36.8
227.09100	2.5
228.06024	1.6
237.03996	2.4
238.04790	14.4
239.05626	27.8
253.07172	88.5
254.07420	4.1
255.05092	100.0
256.05798	10.7
270.07465	3.3
271.08289	3.0
271.19174	2.0
272.11063	1.5
313.12024	2.6
362.49127	1.3
382.62079	1.4
389.10577	2.2
397.03592	1.9
418.11142	33.1
419.11206	1.6
433.13596	38.2
433.24719	32.1
434.14493	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	433.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10600	0.9
59.01378	14.2
59.48629	0.7
71.01370	4.7
71.13348	1.0
74.34300	0.9
76.15413	0.7
77.68690	0.7
80.07729	0.8
83.05012	1.1
85.02945	7.3
87.00877	1.6
88.98780	0.9
89.02435	2.3
95.01360	1.3
95.05019	0.8
97.06581	2.6
99.00877	1.5
101.02439	2.6
107.05016	1.7
109.06593	1.3
113.02444	2.7
121.06596	4.3
123.00890	3.8
123.04530	1.7
124.01658	2.2
125.02447	4.6
127.07559	0.8
131.04994	1.4
133.06580	2.5
137.02440	1.9
137.06044	3.7
138.03212	2.3
139.04045	3.6
139.07626	4.8
140.01154	2.2
141.01965	2.4
144.65288	0.8
146.87346	0.8
147.04477	1.3
149.06071	4.8
152.01115	1.0
153.01944	12.2
153.05571	1.3
154.02744	6.5
154.99867	3.0
155.07147	6.0
159.04492	1.3
161.02454	1.0
162.03201	0.9
165.01915	0.9
165.05562	10.3
166.02704	2.6
166.99861	1.9
167.03534	1.7
167.07109	1.5
169.01431	2.6
170.02220	0.7
175.04016	3.0
176.04829	1.0
177.02045	1.1
177.05566	32.7
179.03493	2.4
181.05040	3.9
182.02168	4.8
183.06601	1.4
193.05057	14.2
194.05855	19.4
195.06615	12.6
197.04585	7.4
199.06166	4.8
209.04530	2.9
209.08162	1.2
211.06119	2.9
227.05583	32.9
228.05957	0.8
237.04071	2.1
238.04794	13.3
239.05600	28.5
240.05952	1.0
253.07162	81.7
254.07535	3.5
255.05089	100.0
256.05725	10.6
267.07083	1.0
270.07419	2.6
271.08279	2.0
418.11127	28.6
419.11514	1.7
433.13437	35.5
434.13913	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.135
Annotation	6alpha-Hydroxyforsythide dimethyl ester
Peak:m/z	Relative Intensity
53.76967	0.4
56.97644	0.4
57.03455	0.8
59.01380	12.7
61.98828	1.3
67.01891	0.5
67.47721	0.5
69.03453	0.9
69.14990	2.5
71.01381	5.7
72.99327	0.6
73.02950	1.3
75.00890	1.4
83.05047	0.6
85.02945	4.7
87.00856	1.2
89.02445	2.5
93.03456	1.0
95.01421	0.9
95.05035	1.7
97.02964	0.8
97.06574	2.5
99.00875	10.0
101.02452	2.2
105.07082	0.6
107.05036	1.1
109.06579	1.2
110.93491	0.5
111.00886	1.0
111.04512	0.8
113.02454	2.4
116.92829	0.9
119.03517	0.8
121.02974	0.6
121.06567	2.5
123.00891	5.9
123.04513	1.3
123.08179	1.4
124.01661	1.6
125.02437	3.6
125.06110	0.7
127.07635	0.9
128.75824	0.5
133.06587	2.0
135.04510	0.6
135.64417	0.5
137.02435	7.7
137.06065	2.2
139.00430	0.7
139.03999	0.6
139.07668	2.4
141.01952	0.8
148.05217	0.6
149.06070	6.2
151.04068	0.7
151.07646	2.1
152.01204	0.6
153.01927	4.0
153.05560	0.9
154.02687	1.5
154.99899	2.5
155.07166	2.3
161.04617	1.1
165.05565	8.5
166.06398	0.5
167.03455	0.5
167.07117	4.5
169.01378	1.1
175.03940	1.0
177.05545	6.5
178.88365	0.5
181.05060	1.9
183.06702	0.5
183.10265	0.7
193.05022	8.2
194.05786	2.4
195.06592	5.5
199.06108	3.2
209.04572	1.8
209.08105	0.7
210.05307	2.5
211.06107	7.3
212.06789	0.9
221.04634	1.2
225.07634	2.6
227.05606	22.6
228.05960	0.8
237.03911	0.9
238.04831	2.6
239.05592	49.4
240.06143	4.6
253.07198	1.1
253.10806	1.3
253.14259	0.7
255.05087	72.8
256.05814	10.9
270.07410	4.3
271.08218	12.1
271.11389	0.9
273.06638	0.5
279.16644	0.5
418.11124	18.8
419.11621	1.5
433.13397	100.0
434.13760	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	433.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03445	6.9
57.11890	1.0
59.01375	29.5
68.99790	1.5
69.03458	7.7
71.01004	1.5
71.01375	19.5
71.05000	1.7
72.64476	0.8
72.99299	5.4
73.02927	3.1
75.00473	1.1
75.00871	14.3
83.01355	2.0
85.02461	1.0
85.02950	17.8
87.00888	6.3
87.01344	1.4
89.02441	7.2
93.03410	1.6
95.01374	4.1
99.00875	8.4
99.04480	1.8
101.02451	6.5
103.00374	2.1
111.08129	1.7
113.01714	1.2
113.02445	21.6
113.06036	1.5
115.00323	1.4
117.01905	2.4
119.03468	1.0
119.04984	2.4
125.02406	3.2
129.01909	2.1
137.02426	1.6
139.11288	10.3
145.02924	1.1
151.00375	1.7
161.04523	5.6
161.05896	1.7
165.01855	1.4
175.02461	2.3
183.10262	14.8
193.01326	2.4
217.72531	0.9
231.04973	3.2
249.06120	24.9
250.06473	1.1
253.05057	1.4
267.07205	8.3
271.05966	3.4
289.07162	4.7
313.06964	2.8
415.15146	1.6
415.19931	1.7
433.16873	100.0
434.17206	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	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26846	0.6
55.01884	0.8
56.97300	0.6
57.03433	2.5
59.01377	23.9
63.02380	2.6
65.00324	7.3
68.99819	0.8
69.03445	2.0
69.25317	2.8
71.01382	11.9
71.60040	0.6
72.99304	10.4
73.02940	3.1
75.00874	4.9
79.04216	0.7
81.03429	0.8
83.01380	7.0
85.02950	8.5
87.00871	8.5
89.02438	4.7
93.03452	5.1
95.01392	2.1
97.02901	1.1
99.00868	3.0
101.02442	6.7
103.00403	0.7
107.01382	15.0
109.02941	1.5
113.02457	7.8
117.03454	0.7
119.03582	1.2
119.05022	30.8
120.05338	0.8
121.02961	0.7
125.02422	5.6
133.02972	0.8
137.02449	2.0
139.11244	2.1
143.04988	1.1
145.02946	4.1
149.02365	0.9
151.00366	58.8
152.00690	1.1
159.03105	0.6
161.04643	1.2
161.06052	1.4
165.01939	5.2
167.03499	0.7
169.01428	3.4
177.01956	5.6
180.04352	0.7
181.04515	0.7
183.10272	6.9
185.06059	3.2
185.15366	0.6
187.03987	2.9
193.01428	2.5
225.05516	0.7
227.07115	5.9
228.07474	6.0
235.13376	1.6
240.05716	0.7
249.06134	6.6
253.04991	0.9
253.14507	1.9
267.07208	4.6
271.06097	100.0
272.06482	5.4
313.07516	6.4
343.08176	1.6
375.12085	0.7
380.75153	0.6
390.12579	0.8
415.15012	0.7
415.19827	9.3
416.20175	1.4
433.11279	17.4
433.16711	18.0
433.20847	26.2
434.11618	1.4
434.16910	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15128	0.7
55.01880	0.9
57.03445	5.8
59.01374	31.7
59.61724	0.7
61.10080	0.6
61.55724	0.6
61.98832	1.3
62.60540	0.6
67.64780	0.7
69.03455	5.6
69.56573	2.6
69.56921	0.8
71.01007	1.4
71.01376	19.1
71.05011	1.1
72.99307	3.4
73.02939	2.6
75.00465	1.1
75.00871	14.3
81.03439	1.0
83.01363	1.4
85.02940	19.2
87.00871	6.5
89.02448	10.3
95.01376	3.5
96.78330	0.7
98.22696	0.7
99.00882	8.2
101.02445	3.4
103.00375	1.9
111.00914	1.0
111.08125	1.7
113.02441	27.6
113.06058	1.3
114.02745	0.7
115.00397	1.7
117.01909	2.2
119.03496	2.0
125.02428	2.6
129.01920	1.7
131.03500	0.7
131.77507	0.7
139.11279	7.7
145.05002	0.9
149.04587	1.1
153.05508	0.7
155.84145	0.7
161.04587	1.6
167.03419	1.9
175.02487	2.7
179.05568	1.1
183.10233	13.4
193.03508	0.8
205.07162	1.2
223.08026	0.9
225.11336	1.1
234.33569	0.7
249.06160	8.7
267.07181	11.9
300.03406	0.7
433.17081	100.0
434.17590	7.6
451.09445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87307	1.5
59.01379	100.0
60.01705	1.9
61.98831	28.4
63.02364	1.7
63.08460	1.8
65.00317	2.5
69.49379	4.2
69.49762	3.2
70.63243	1.5
71.01376	12.4
73.02943	5.9
79.05518	2.2
83.01399	3.8
85.02946	4.5
87.00875	2.0
89.02444	9.6
93.03442	3.7
95.01342	1.7
98.22545	3.3
99.00864	2.0
101.02428	10.6
107.01386	5.4
113.02440	4.5
113.93364	1.4
119.03493	3.8
119.05001	15.0
121.06633	2.0
123.04571	2.0
123.41460	1.7
125.02458	3.6
145.11729	1.7
146.45511	1.7
151.00363	20.5
161.04453	2.8
165.05580	15.3
167.03508	2.3
176.12468	1.6
177.01851	2.5
183.28322	1.7
209.15459	9.7
211.04001	8.2
253.14465	14.2
271.06091	53.4
271.09695	18.3
272.06497	2.8
349.11511	1.7
433.20428	45.3
434.20923	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	433.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45569	2.2
58.97680	1.5
59.01376	100.0
61.98825	13.9
64.61517	1.8
64.79619	1.5
69.24783	9.7
71.01369	9.3
73.02933	3.0
85.02928	3.2
89.02445	3.8
98.22607	3.6
101.02438	6.6
113.02475	4.3
124.97990	1.7
125.02425	2.9
159.13263	1.8
161.04564	3.4
171.91924	1.7
193.01379	7.2
270.04794	1.8
271.05209	5.8
313.16650	1.8
331.17606	7.1
331.61014	1.8
373.12738	2.9
373.18478	4.3
433.10132	7.8
433.19504	10.8
433.25049	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	433.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56240	11.2
59.01378	23.1
66.09394	14.6
69.23416	25.5
69.23820	52.3
82.91225	12.2
91.22271	12.8
99.85785	11.2
181.01627	13.0
207.11015	12.3
378.77509	13.1
433.19989	100.0
449.71790	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
59.01378	32.0
59.88641	0.6
61.98833	1.0
63.02404	1.9
65.00327	3.1
69.03447	0.9
69.54192	2.8
71.01383	8.8
72.99304	24.0
73.02947	1.9
75.00871	3.9
83.01408	4.5
85.02950	5.8
87.00874	18.8
89.02470	2.6
93.03486	2.3
95.01421	1.0
99.00908	2.4
101.02443	5.8
107.01389	5.5
113.02466	5.3
119.05022	12.8
119.05788	1.1
125.02501	2.1
139.11334	1.8
143.05115	1.0
144.20851	0.6
145.03008	1.7
147.52261	0.7
151.00369	27.1
165.01978	2.5
169.01477	1.3
177.01952	1.9
177.69221	0.7
183.10345	2.1
185.06160	1.3
187.04018	1.2
193.01436	1.4
203.66238	0.7
225.15077	0.9
227.07141	5.0
228.07523	5.8
235.13528	1.9
249.06065	3.4
253.14584	2.7
267.07178	1.8
271.06097	40.1
272.06604	2.3
313.07422	4.2
331.17706	0.7
343.08350	1.1
387.21112	0.7
407.91983	0.9
415.19763	25.5
416.20444	1.8
423.54172	0.7
433.11426	6.2
433.21033	100.0
434.21573	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03418	1.1
57.74262	0.6
59.01377	36.2
61.98821	1.7
71.01381	27.8
72.99301	2.7
73.02944	5.7
80.10057	0.6
81.03462	0.7
82.93167	0.6
83.01381	3.7
85.02542	0.6
85.02957	8.5
86.00111	0.7
87.00876	1.3
89.02436	6.0
95.01382	2.9
97.02936	1.3
98.21842	1.4
99.00879	2.6
101.02446	14.4
107.01412	0.7
108.02158	1.4
111.00856	1.7
113.02456	8.6
115.03945	0.6
119.03503	2.7
119.05023	5.1
121.02902	1.1
122.03632	0.6
123.00832	0.9
124.01646	1.8
125.02495	3.1
129.01924	0.8
135.60306	0.6
141.01958	0.8
143.03433	0.9
151.00362	1.5
152.03656	0.8
159.02963	0.7
161.04503	2.4
163.00394	0.8
165.01920	0.9
167.03535	0.8
171.13902	1.0
179.05556	1.0
180.39507	0.6
193.01396	3.9
199.13361	1.0
207.13901	1.3
211.06070	1.5
219.96930	0.6
225.14973	1.9
235.13350	3.2
253.14322	0.9
266.43399	0.6
271.06149	1.3
271.15857	0.6
271.19064	1.0
313.07199	10.9
343.08206	4.3
361.18689	6.8
387.20166	3.8
397.18619	3.8
415.19843	5.7
416.20233	0.9
433.11133	3.0
433.20660	100.0
434.20959	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.2
61.98823	4.2
69.54326	1.1
71.01395	0.6
71.25863	0.3
76.33769	0.3
76.72404	0.3
79.93156	0.3
80.35164	0.3
97.02766	0.3
98.21922	0.7
101.02515	0.5
159.00488	0.3
210.12212	0.4
331.17511	0.5
389.01105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69912	0.4
53.12135	0.4
57.47396	0.4
59.01377	100.0
60.01715	0.9
61.98828	13.5
64.20834	0.4
70.16605	0.9
71.01396	1.6
73.02935	0.6
74.64385	0.4
80.17540	0.5
101.02457	1.3
113.02502	0.6
176.08450	1.1
191.10785	3.8
235.09746	1.3
253.14513	0.6
310.82565	0.5
347.88855	0.5
351.14548	0.9
391.13715	0.5
397.15176	1.5
433.10135	0.7
433.19937	0.7
433.24817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01713	2.2
61.01799	1.7
61.98830	56.4
69.77328	1.6
69.77696	1.6
71.01385	0.8
73.02961	0.9
93.03515	0.8
98.21884	0.9
101.02470	0.7
104.01912	0.6
108.02136	0.7
114.94527	0.7
118.03450	0.7
133.52437	0.8
137.02454	0.9
151.00372	1.0
155.44933	0.7
172.94896	0.7
209.11890	4.3
210.12218	2.8
211.12520	2.6
227.10832	1.1
271.06265	1.6
402.72012	0.7
433.15213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17531	0.6
59.01375	100.0
60.01715	0.7
61.98828	6.8
69.49549	1.4
69.49944	1.9
71.01376	3.0
72.67354	0.6
73.02962	1.7
83.01392	0.6
85.02944	1.3
88.54706	0.6
89.02454	1.4
101.02415	3.2
107.01381	0.8
113.02479	1.6
119.03501	0.9
161.04572	1.7
166.38606	0.6
209.11842	0.7
271.05276	1.0
313.16525	1.5
331.17584	7.2
373.18518	3.4
385.61795	0.6
433.10483	2.4
433.19543	0.8
433.24832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85859	0.6
52.14568	0.9
53.10466	0.7
59.01374	100.0
60.01708	1.0
61.98827	7.5
69.25741	3.8
71.01373	3.9
73.02952	2.4
73.16367	0.7
77.39302	0.7
79.48161	0.6
85.02965	1.8
89.02450	1.8
93.60383	0.6
101.02464	3.0
105.54942	0.6
113.02460	1.1
161.04605	1.4
230.39641	0.7
313.16608	2.6
331.17548	7.2
332.18100	0.7
370.71063	0.7
373.18533	5.2
433.24725	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01705	1.0
61.98832	1.1
63.42933	0.4
69.61249	1.2
69.61597	0.8
71.01385	5.1
73.02945	1.5
73.53648	0.4
83.01386	0.7
85.02953	1.9
89.02435	2.4
95.01376	0.5
98.22572	0.6
101.02454	3.8
111.86111	0.4
113.02470	1.7
119.03563	1.2
124.37507	0.4
125.02449	0.7
143.03506	0.5
151.00388	0.7
157.95041	0.4
161.04642	1.1
163.00591	0.5
177.01990	0.6
178.99936	0.8
179.05644	0.9
195.16071	0.4
197.11948	0.6
243.02995	0.5
255.03093	1.4
271.02512	3.5
280.74252	0.4
289.28677	0.4
295.15137	0.4
300.02774	5.5
301.03586	5.7
302.03897	0.5
331.17645	1.7
373.18637	1.0
402.46530	0.4
405.52283	0.4
433.07547	4.5
433.20837	2.9
433.25964	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88267	0.8
51.78349	0.8
59.01360	2.6
65.03951	6.5
67.01888	1.0
68.09071	0.9
69.59789	3.3
98.21862	0.9
106.04263	2.6
107.05003	3.5
108.02165	12.2
109.02956	6.5
111.59769	0.9
121.02950	1.2
122.03747	4.1
124.01620	0.9
149.62811	0.9
150.94829	1.0
163.04030	3.9
192.95860	3.8
203.28339	0.9
219.10249	1.6
301.21942	1.9
301.25290	4.7
303.23328	11.3
325.21545	2.5
327.19855	1.1
327.23245	30.9
328.23544	3.0
329.21329	2.3
343.22699	16.3
344.23270	1.4
345.24326	100.0
346.24612	8.2
347.22202	2.2
350.95001	1.3
353.21317	4.6
365.28879	0.9
371.17532	2.4
371.22244	43.9
372.22510	4.0
389.18451	1.6
389.23318	22.8
390.23682	2.4
408.89984	1.0
415.21243	87.4
416.21558	8.8
433.22269	80.2
434.22485	6.3
437.75952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86951	2.7
59.01371	15.8
59.53193	3.1
61.98818	3.3
65.03965	7.2
69.93845	8.5
88.80348	2.8
98.21865	2.6
107.05021	3.2
108.02172	13.0
109.02957	7.7
122.03729	5.3
125.87341	7.2
139.88884	3.8
152.99591	6.9
214.96086	3.3
267.65442	2.9
273.01959	3.6
303.23260	10.5
327.23227	31.3
343.22791	15.6
344.23434	3.7
345.24332	100.0
346.24481	7.8
350.94910	3.8
353.20966	5.5
371.22195	55.6
389.23386	21.8
415.21249	93.2
415.32263	6.1
416.21716	8.1
433.22220	88.5
433.33246	12.8
434.07083	8.1
434.22705	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	433.2357
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.62512	0.3
59.01361	0.3
61.41413	0.2
69.60124	0.6
69.60459	0.3
70.62012	0.2
78.95899	50.9
86.05001	0.2
96.96956	6.2
98.21980	0.3
101.02328	0.2
108.02161	2.4
109.52552	0.2
122.03727	0.5
150.98010	1.8
152.99580	100.0
153.99953	1.3
167.06326	0.7
171.00629	4.6
176.11200	0.3
210.20624	0.3
211.05632	0.3
213.05553	5.9
279.23117	1.5
345.27591	0.4
387.85193	0.3
407.10718	0.6
433.23441	8.3
434.23810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76641	0.3
59.01373	0.3
62.96392	0.3
71.08091	0.3
71.08443	0.3
78.95900	60.7
81.99342	0.3
94.57822	0.3
96.96958	6.3
142.17740	0.3
150.98022	1.6
152.99582	100.0
153.99936	1.0
171.00661	3.8
234.79897	0.3
279.23242	1.4
384.27325	0.3
433.23520	11.5
434.23810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03442	2.1
58.00591	0.7
58.17102	0.5
59.01378	100.0
60.01701	1.3
61.98832	8.1
65.00325	0.7
69.33298	1.9
71.01380	24.8
72.53876	0.6
72.99306	0.7
73.02944	14.7
82.95435	1.5
83.01377	4.5
85.02953	8.8
86.70985	0.5
87.00910	1.6
89.02442	12.6
95.01401	2.3
97.03007	0.6
98.21818	1.0
99.00900	1.8
101.02445	18.3
101.03069	1.1
107.01382	1.1
108.11884	0.6
111.00931	1.7
113.02447	11.7
119.03514	6.0
119.04987	3.5
125.02483	1.3
131.03600	0.5
143.03572	1.1
149.04663	0.8
151.00381	3.9
159.02992	0.9
161.04579	4.6
164.04834	0.6
165.05638	0.6
177.02036	0.7
179.05731	1.1
185.12001	1.0
191.14514	0.7
197.11984	2.3
209.15437	7.5
211.04013	1.1
223.06361	1.0
229.05214	1.3
230.16312	0.5
231.21709	0.5
253.14439	5.9
271.06134	11.9
271.16495	0.8
271.19443	3.1
272.06714	0.9
296.10434	0.6
300.02905	0.6
308.87875	0.5
332.61041	0.7
373.18634	1.2
373.22818	1.7
391.23691	1.7
433.25171	40.9
434.25479	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	433.2591
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.56626	0.4
59.01142	0.4
59.01413	1.1
69.44593	1.7
69.44920	0.4
69.91463	0.3
78.95940	1.5
96.96986	0.4
116.92863	0.6
124.01698	0.6
125.02418	2.1
134.03799	0.7
136.01682	0.8
137.02417	0.6
150.03217	2.0
151.77145	0.4
152.01201	1.4
152.99612	2.9
153.01935	10.9
154.02756	1.6
165.01970	0.7
166.02765	0.4
167.03471	1.9
171.18204	0.4
233.11864	0.9
251.12830	0.6
277.18607	0.4
293.17645	0.6
305.17657	1.1
307.18933	0.4
313.22382	0.4
319.22589	0.6
329.24820	0.9
331.22675	1.0
333.20706	0.9
345.24335	3.4
347.17856	0.6
347.22229	22.6
348.23007	100.0
349.23410	6.6
373.23615	2.7
390.10123	0.7
390.23846	0.6
433.25897	56.5
434.26202	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	433.2592
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.01877	10.5
57.93348	2.0
59.01378	5.6
61.98815	2.9
89.48415	2.1
91.11504	2.0
92.74728	2.1
95.05035	4.1
100.76985	1.9
123.03704	1.8
133.78835	1.8
149.80002	1.8
152.99599	5.7
164.02191	1.7
183.46875	1.9
186.95544	2.7
192.95834	6.3
194.84523	1.7
203.95055	2.0
289.25415	3.1
327.26868	6.0
343.26508	4.8
345.27942	100.0
346.28149	9.1
350.95117	2.8
371.25870	11.0
389.27029	19.3
408.22574	2.0
415.24890	23.1
433.25940	58.5
434.26196	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	433.2956
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
56.67028	0.8
61.15034	0.7
103.46543	0.7
106.64775	0.8
109.02959	1.4
121.02953	2.6
122.03709	2.4
123.00845	2.3
135.04454	2.1
136.05249	1.0
137.02452	4.7
138.03229	1.0
149.02440	0.9
149.06099	1.5
151.03987	1.0
159.04520	1.1
162.03246	1.9
163.03990	8.6
164.32066	0.8
167.14395	1.9
173.06061	1.3
177.05568	7.7
193.15855	1.3
211.17035	1.0
221.15448	7.1
234.16090	1.1
235.16959	2.4
247.17056	1.5
248.17767	3.2
249.14926	8.2
249.18570	2.3
250.15727	19.6
251.15956	1.3
261.14871	3.0
262.15689	7.6
263.16367	2.6
275.16522	1.6
276.14371	1.5
276.17261	21.9
276.20227	1.2
277.17697	2.2
345.31467	3.1
347.29541	13.1
348.29770	1.0
361.31116	25.9
362.31326	3.3
371.29559	6.5
387.28943	1.0
389.30576	100.0
390.30972	7.1
415.28052	1.0
433.29446	41.5
434.29822	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	433.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30873	0.7
54.36148	0.8
58.18084	0.7
58.86513	0.6
59.01379	100.0
60.01719	0.7
62.05250	0.7
74.52898	0.9
78.95911	3.9
136.52112	0.7
152.99582	7.0
223.81865	0.8
299.26001	1.1
326.86398	0.7
433.25055	1.0
433.30243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01711	1.1
63.99839	0.4
75.97415	0.3
78.95899	0.5
85.65682	0.3
116.92873	0.8
152.99632	1.3
174.91270	0.4
293.17810	0.6
333.20877	0.9
334.21497	1.0
335.13333	0.4
364.25961	0.6
422.99564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13031	0.6
59.01377	1.7
61.98828	100.0
66.92690	0.5
70.41876	0.6
71.01404	0.6
77.41158	0.5
90.84445	0.5
110.94764	0.6
180.15842	0.5
223.09868	0.6
351.36810	0.5
374.18106	0.5
407.23163	0.6
434.20377	1.7
435.21182	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	434.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.7
60.01719	0.5
61.33974	0.3
61.98829	100.0
62.87112	0.3
68.68107	0.3
69.45131	0.8
69.45522	0.6
116.88460	0.3
125.02461	1.0
136.00949	0.3
136.27127	0.3
149.99632	0.6
157.59337	0.3
168.00618	0.9
190.37430	0.3
199.87401	0.3
203.33499	0.3
206.79019	0.4
332.28659	0.3
381.09790	0.4
415.06616	0.4
435.09515	1.1
453.79501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10699	0.4
56.84951	0.3
58.60906	0.3
59.01379	12.0
60.01721	1.3
61.01807	0.5
61.98828	100.0
68.77403	0.3
69.31452	1.4
69.31848	0.7
71.01398	0.4
93.03484	0.6
94.88036	0.4
113.32829	0.3
137.02431	1.5
185.03856	0.3
193.52872	0.3
237.14944	2.9
301.72250	0.4
318.40707	0.4
358.51257	0.4
399.20291	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	434.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01377	31.3
60.01711	3.2
61.01795	0.6
61.98826	100.0
68.99828	0.4
69.26155	2.1
71.01377	0.9
76.16817	0.4
77.78840	0.4
81.03479	1.8
83.01393	0.6
89.02434	0.6
91.55352	0.4
93.03472	0.9
95.05054	1.8
96.80902	0.3
97.02963	0.4
99.04523	1.1
101.02421	0.9
113.02438	0.7
116.05136	0.4
119.05044	2.1
121.02976	0.5
123.04502	3.0
125.02444	4.4
137.02460	0.8
137.06107	2.2
149.95778	0.4
165.05603	1.6
167.03474	8.6
179.03545	1.7
189.05547	1.0
191.03479	0.5
193.05124	0.5
195.10280	0.8
197.04477	0.7
209.04543	3.1
273.07822	1.4
273.11075	0.7
315.08716	18.8
345.09753	5.0
417.11664	0.5
434.20947	0.9
435.12808	0.8
435.22638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99895	0.9
59.01379	9.5
61.98828	100.0
62.18335	0.9
69.32114	2.3
69.32517	2.0
71.01388	2.1
73.02956	1.6
77.33315	0.9
85.02979	1.2
88.98747	0.9
89.02473	1.0
95.22069	1.0
101.02415	1.7
109.02912	1.1
134.24446	0.9
208.38977	1.0
251.12752	1.2
252.13101	1.1
294.21182	1.0
372.17374	1.8
391.19766	1.3
434.19434	1.5
434.24838	1.3
435.21890	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	434.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01378	5.9
60.01720	0.6
61.01796	0.5
61.98827	100.0
71.01389	1.6
71.28192	0.3
72.01712	0.3
73.02962	0.4
75.00901	0.3
76.17440	0.2
80.36296	0.3
85.02959	0.6
89.02467	1.2
89.12597	0.2
98.90720	0.2
101.02457	1.1
111.08186	0.4
113.02464	0.7
119.03532	0.6
125.02494	0.5
161.04538	0.5
167.03488	0.3
169.75824	0.3
209.11909	0.5
210.12228	0.9
211.12500	0.4
212.12831	0.3
294.12494	0.3
298.07623	0.3
315.08856	0.7
434.20474	0.7
434.25089	0.9
435.22705	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	434.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14935	0.4
53.29498	0.3
55.01866	0.4
59.01352	0.7
61.98833	3.0
65.57781	0.3
74.31957	0.4
78.95895	0.9
81.03439	0.6
93.03209	0.4
109.02947	1.2
110.03723	2.8
115.45129	0.4
121.43001	0.4
123.00881	1.1
123.04506	1.5
124.01629	0.5
125.02465	1.9
137.02423	1.5
138.03233	6.5
142.02690	0.9
151.04057	0.7
152.04726	0.4
152.99509	0.9
165.01942	0.7
166.02710	4.8
167.03456	0.6
179.03540	3.7
180.04274	1.2
193.05072	0.9
198.01714	0.8
212.95323	0.4
222.08983	0.5
249.11165	0.6
303.16043	0.7
303.19736	0.5
321.20648	4.2
331.19049	0.5
347.77661	0.5
349.20169	100.0
350.20499	7.7
350.24478	0.7
352.20990	1.2
371.17218	0.5
416.15753	0.6
434.17926	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	434.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53469	0.5
53.14270	0.5
57.30342	0.5
57.69601	0.6
59.48867	0.6
61.13179	0.6
61.98830	14.0
65.24026	0.5
69.43137	2.7
75.63818	0.5
77.53217	0.7
95.01374	2.7
96.02196	0.9
109.02962	1.4
110.00095	0.6
111.00886	0.6
123.00881	26.8
124.01625	2.6
137.02432	6.1
137.06024	0.6
151.00388	2.4
152.01057	0.7
165.01921	13.5
179.07124	1.2
183.69502	0.6
185.56503	0.5
193.08746	1.2
207.10239	3.0
263.12866	1.5
277.14484	1.1
289.18164	1.0
306.18347	1.3
321.20468	1.0
334.17783	6.3
345.27899	0.7
346.28262	1.6
349.20172	100.0
350.20660	7.7
413.17813	0.7
434.17831	9.5
434.26498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
60.01707	0.4
61.98828	100.0
63.99241	0.5
69.22504	1.6
71.01391	0.8
81.03469	0.3
85.02934	0.4
89.02431	0.5
123.04561	0.7
167.03575	2.0
167.04825	0.3
206.78232	0.3
227.03528	1.1
228.01849	0.4
228.03822	2.1
229.04030	1.5
230.04350	1.0
237.11263	2.1
237.14955	0.4
255.03053	1.0
256.03314	2.3
257.03564	1.7
258.03775	2.7
273.07693	2.4
284.03217	0.5
285.03705	2.4
286.04141	4.3
287.04398	4.5
288.04855	4.5
399.16208	0.8
399.20993	0.6
434.10571	7.2
434.25491	0.4
435.22260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01687	8.5
69.52889	13.3
69.53281	6.0
78.95913	24.1
93.37562	3.5
93.75141	3.5
96.96907	3.4
108.66361	3.4
123.00874	5.6
138.80168	4.0
152.99588	40.4
196.57536	3.9
256.28516	4.5
283.93854	3.6
333.20670	15.9
334.21439	25.3
376.22498	6.5
391.24902	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95342	3.8
59.01358	3.9
61.98822	9.0
63.06739	2.9
68.68809	3.5
75.04918	3.8
78.95896	51.1
79.38221	3.7
89.05038	3.5
96.96960	6.5
104.87434	3.7
122.00771	3.8
122.03729	53.4
137.06085	82.7
150.98076	3.6
152.99577	100.0
153.99931	6.2
171.00612	4.2
257.48160	4.9
281.24768	3.6
329.20920	5.3
330.83499	4.2
378.24048	9.1
391.28473	36.0
435.24921	7.9
439.19733	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	435.0931
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
50.08045	0.5
52.60671	0.5
55.01867	1.6
55.93663	0.4
57.03450	1.0
57.89941	0.4
59.01375	47.3
61.98825	2.8
69.03446	3.5
69.37410	2.6
71.01378	26.3
71.01778	1.2
72.99297	1.1
73.02940	7.2
77.60950	0.5
79.01851	0.8
81.03455	1.2
83.01377	4.0
85.02944	9.3
87.00873	1.7
89.02443	22.2
95.01364	3.4
97.02956	3.3
98.48664	0.6
99.00873	1.9
101.02440	18.7
107.01395	1.6
108.02139	0.6
109.02983	1.0
113.02450	13.4
113.78188	0.6
119.03502	10.8
121.02954	7.8
123.00871	5.6
124.01662	18.4
125.02444	53.4
126.02774	1.3
131.03484	1.0
137.02417	2.5
143.03508	3.0
149.04532	1.0
149.99577	31.8
151.00410	2.9
153.01814	0.6
159.03001	1.2
159.58403	0.5
161.02519	0.6
161.04562	8.8
165.01959	0.6
167.03439	1.1
168.00633	60.4
169.01369	5.2
179.05615	6.9
184.99399	0.5
187.13437	1.0
199.13387	2.4
231.15968	1.1
244.40091	0.6
255.16043	0.6
258.01535	0.7
273.04166	0.6
273.20740	4.1
289.16663	1.0
313.05710	2.0
331.17490	0.8
349.18488	1.3
375.20245	1.1
391.19580	3.7
393.21420	3.1
417.08115	3.9
435.09293	100.0
435.21887	10.3
435.26105	11.5
436.09744	5.9
436.21933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.093
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
57.54551	0.4
59.01376	17.6
61.01768	0.6
61.36490	0.5
61.98799	0.5
63.44524	0.5
65.04717	0.4
65.23217	0.5
69.03449	2.7
69.34895	1.1
69.35295	1.5
71.01373	7.1
73.02926	2.4
79.01875	1.0
81.03448	1.0
83.01390	1.7
84.68665	0.5
85.02943	1.9
85.05489	0.4
87.00877	0.8
89.02446	5.6
95.01369	1.4
97.02960	3.1
97.69746	0.5
99.00862	0.5
101.02444	4.5
107.01363	1.6
108.02197	0.5
108.46379	0.4
109.02916	0.8
113.02454	3.5
113.03108	0.6
119.03499	2.1
121.02950	8.4
123.00871	6.4
124.01654	19.7
125.02443	53.8
126.02792	0.9
131.03481	0.5
136.01631	0.9
137.02415	2.2
143.03473	0.6
149.99577	31.0
151.00269	2.0
161.04562	2.1
167.71840	0.6
168.00633	57.9
169.01407	4.5
179.03514	0.5
179.05588	1.9
199.13382	1.2
258.01733	1.1
273.20813	0.9
313.05618	2.4
322.59015	0.6
391.19754	0.8
393.21326	1.2
417.08200	3.5
435.09274	100.0
435.26859	1.3
436.09561	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	435.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30134	0.4
59.01377	12.3
61.98822	2.3
63.33896	0.4
68.17080	0.4
69.03449	4.3
69.07973	1.6
69.08387	0.9
71.01374	2.6
72.99315	1.0
73.02933	1.0
77.57993	0.4
85.02946	1.3
87.00860	0.6
89.02447	1.7
90.04332	0.4
92.52676	0.4
92.82381	0.4
95.01379	0.6
95.05013	6.2
97.02905	0.6
97.06591	9.8
98.06931	0.5
99.00899	0.6
101.02459	2.2
109.06601	0.9
113.02468	1.1
119.03508	0.5
121.06570	0.6
123.04546	0.8
125.02442	1.2
125.06081	100.0
126.06426	2.6
135.04504	0.6
137.02492	0.7
139.07652	0.6
141.05547	0.9
147.06628	0.8
149.06004	1.1
151.04025	0.6
153.01884	0.5
161.04591	0.8
167.07155	0.8
169.01462	0.5
177.05602	1.4
179.05634	0.6
179.07054	0.6
183.06615	0.8
193.05023	0.7
195.06606	0.5
197.04494	3.7
201.07710	0.9
204.06509	1.0
205.07442	0.7
211.06032	2.3
229.07150	27.1
230.07506	1.1
239.05600	8.3
241.03520	5.6
253.07097	0.6
273.09686	0.9
315.13501	0.7
327.13480	2.4
345.14539	1.6
375.16660	1.4
389.14542	1.0
435.14398	0.7
453.29367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72643	0.6
57.03432	1.1
59.01377	10.5
68.99827	0.9
69.03451	1.2
71.01369	2.5
73.02954	0.6
78.53504	0.6
79.42761	0.7
81.03455	10.0
83.01382	4.7
85.02934	0.9
93.03465	3.5
95.01369	0.9
95.05020	9.4
97.02947	5.3
99.04527	4.8
101.02419	1.1
108.02193	0.7
108.99369	0.5
109.02929	1.0
111.04510	1.4
113.02477	0.5
119.03512	0.6
119.05022	6.1
121.02938	1.4
122.03716	1.4
123.04518	15.1
125.02442	18.7
126.68556	0.6
135.04504	1.4
137.02419	3.4
137.06067	11.0
139.04001	2.7
147.04520	1.6
151.00441	1.0
151.04010	1.3
155.03462	0.7
155.07002	0.9
163.07654	1.1
165.01895	0.7
165.05580	6.7
167.03490	39.6
179.03490	8.3
180.03995	0.7
181.05103	2.0
189.05557	3.0
191.03493	1.0
193.05075	0.7
195.06467	0.6
197.04543	3.4
207.02905	0.7
209.04565	13.3
221.04518	2.3
237.14839	0.8
273.07623	8.0
285.07718	2.4
315.08725	100.0
316.09085	6.5
327.08710	1.6
345.09775	24.3
345.14056	1.2
346.10046	1.5
357.09720	1.9
375.20255	1.0
393.21225	2.0
417.11816	1.3
435.13391	4.1
435.22021	8.1
436.13177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.7
71.01379	10.0
73.02939	1.9
83.01360	0.9
85.02950	3.2
89.02442	7.4
93.03465	7.5
95.01371	1.2
99.00888	0.6
101.02436	8.3
107.78297	0.6
109.02951	14.8
110.03265	0.6
113.02438	4.1
114.41468	0.6
119.03506	1.9
123.00855	0.6
123.04504	1.1
124.01640	1.4
125.02451	3.2
127.43924	0.5
137.02438	16.3
141.31921	0.6
141.35025	0.5
145.02956	0.7
149.99580	1.1
150.57458	0.6
153.00653	1.0
153.01930	20.0
154.02286	0.8
161.04561	1.1
168.00652	2.2
177.01883	1.0
178.06316	0.8
189.01912	1.4
193.08736	1.1
204.07863	1.1
217.01387	0.6
219.10258	6.2
222.08842	0.6
237.11316	17.5
237.14944	1.0
238.11620	1.1
238.33879	0.6
249.06245	0.7
254.47089	0.6
289.16595	5.0
341.06723	3.9
375.20700	0.9
393.21414	1.1
399.16562	100.0
400.16895	7.2
435.09067	4.3
435.22351	3.5
439.65732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69279	0.5
57.03444	0.8
59.01376	7.5
61.98827	32.4
66.28828	0.5
70.95192	0.5
71.01377	1.6
73.02942	0.7
81.03453	2.6
83.01379	1.6
85.02943	1.2
93.03461	2.0
95.05045	0.5
97.70271	0.5
101.02456	1.3
113.02449	0.8
119.05006	2.2
123.04523	7.6
125.02446	3.7
135.04460	0.5
136.05298	2.1
144.28906	0.5
149.06110	1.2
151.00349	0.6
161.09732	2.0
163.07581	0.6
167.03485	19.2
168.03857	0.8
178.09985	2.4
179.03462	1.6
189.05605	0.7
190.51904	0.5
193.12456	0.6
204.07890	2.8
205.08669	1.7
219.10248	13.2
224.23450	0.5
229.08560	0.6
237.11313	100.0
237.14664	3.4
238.11667	5.0
273.07684	20.1
274.07935	1.5
375.20032	0.6
393.21280	2.6
399.16229	42.3
399.20279	6.2
400.16669	3.6
400.21402	0.6
435.22183	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	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
56.93130	0.6
57.03436	1.7
58.35073	0.6
59.01375	12.6
59.94651	0.7
64.57920	0.6
68.99818	0.8
69.03437	1.3
69.18901	1.9
69.19331	1.7
71.01382	9.5
72.99314	3.1
75.00872	10.1
80.02677	1.3
81.07072	2.1
85.02949	10.8
87.00864	4.3
89.02444	2.3
95.01366	3.2
95.05056	4.7
99.00874	7.3
103.00398	0.6
111.00882	0.8
113.02441	11.5
115.00373	1.9
117.01913	1.3
121.06570	2.1
123.08159	45.0
124.08475	1.4
129.01936	1.3
137.02441	0.6
141.09213	10.4
157.01331	0.7
175.02431	1.4
182.48051	0.6
185.08177	34.6
186.08496	1.3
193.89470	0.6
229.08832	0.7
249.06133	11.0
259.11874	4.2
267.07211	4.7
373.14981	1.5
417.13950	2.2
435.15036	100.0
436.15402	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	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
59.01382	23.8
62.03433	1.4
70.50955	2.2
71.01384	13.7
72.99318	3.3
73.02975	1.9
75.00870	11.9
81.07093	2.7
85.02956	12.1
87.00874	4.4
89.02442	4.3
89.60030	1.5
93.03467	2.2
95.01373	2.2
95.05042	3.6
96.52553	1.6
96.96043	1.6
99.00892	9.3
101.02451	2.0
109.02932	3.2
109.28840	1.8
113.02438	14.4
121.06567	1.9
123.08158	41.0
141.09232	11.2
141.95908	1.8
153.01970	2.2
175.02512	1.8
185.08165	24.5
211.56184	1.5
216.37532	1.4
231.05066	1.8
249.06203	11.4
259.11890	4.0
267.07214	6.0
354.59918	1.8
435.15018	100.0
436.15359	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	435.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59265	0.5
57.03450	0.6
58.59247	0.5
59.01368	2.5
61.98819	0.8
67.02042	0.6
69.03439	1.2
70.20245	1.0
71.01377	3.0
71.05015	1.4
72.41901	0.7
73.02921	1.2
78.15188	0.6
78.95923	0.8
83.01366	0.7
85.02966	2.7
86.72614	0.7
94.77753	0.6
95.08664	0.8
95.70752	0.6
99.33035	0.7
100.06643	0.6
101.02443	2.3
107.28574	0.6
112.80048	0.6
113.02445	1.8
116.64900	0.6
121.06595	3.4
139.07652	100.0
140.07991	2.4
152.99615	0.8
161.04549	2.9
161.90506	0.6
245.95660	0.6
269.10272	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	435.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25219	1.1
59.01378	11.0
61.98829	7.8
64.20905	1.2
69.06424	4.8
69.06822	2.2
71.01370	2.7
71.04954	1.1
83.01378	1.2
85.02921	1.7
98.24721	1.0
100.99527	1.1
101.02428	3.3
113.02478	1.1
137.02444	3.7
137.62291	1.2
229.25314	1.2
237.14957	33.1
238.15240	2.1
243.73756	1.2
281.81976	1.2
399.20215	100.0
400.20654	7.2
435.17838	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	435.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03445	3.2
59.01376	15.0
67.01884	0.6
68.99821	1.5
69.03460	1.6
71.01379	13.1
72.99310	3.3
73.02943	1.4
75.00868	13.3
80.04710	0.5
83.01427	0.6
83.05049	0.6
85.02948	15.1
85.06599	0.4
87.00872	4.9
89.02433	2.8
91.04007	0.7
93.03448	0.9
95.01401	3.9
99.00875	7.1
101.02429	1.3
103.00391	1.3
109.02982	1.3
111.04587	0.5
113.02444	18.0
113.09735	3.9
115.00381	1.3
115.07638	2.0
117.01937	2.1
119.03458	0.5
125.02469	2.6
125.09723	1.4
129.01927	1.1
137.02495	0.7
141.12872	0.7
153.01921	0.6
157.01407	0.8
159.31557	0.4
161.02481	0.9
161.04649	0.5
167.10904	0.5
175.02446	1.8
177.80342	0.5
178.06351	4.4
178.99895	0.6
185.11821	75.3
186.12094	2.3
189.04065	0.5
193.08705	1.5
213.43813	0.5
231.05106	1.9
237.07649	1.6
249.06128	16.9
267.07175	3.7
288.02847	0.8
382.91232	0.6
399.12735	1.9
417.17477	2.5
435.18625	100.0
436.13318	0.8
436.18936	7.1
442.43756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03445	3.2
59.01376	15.0
67.01884	0.6
68.99821	1.5
69.03460	1.6
71.01379	13.1
72.99310	3.3
73.02943	1.4
75.00868	13.3
80.04710	0.5
83.01427	0.6
83.05049	0.6
85.02948	15.1
85.06599	0.4
87.00872	4.9
89.02433	2.8
91.04007	0.7
93.03448	0.9
95.01401	3.9
99.00875	7.1
101.02429	1.3
103.00391	1.3
109.02982	1.3
111.04587	0.5
113.02444	18.0
113.09735	3.9
115.00381	1.3
115.07638	2.0
117.01937	2.1
119.03458	0.5
125.02469	2.6
125.09723	1.4
129.01927	1.1
137.02495	0.7
141.12872	0.7
153.01921	0.6
157.01407	0.8
159.31557	0.4
161.02481	0.9
161.04649	0.5
167.10904	0.5
175.02446	1.8
177.80342	0.5
178.06351	4.4
178.99895	0.6
185.11821	75.3
186.12094	2.3
189.04065	0.5
193.08705	1.5
213.43813	0.5
231.05106	1.9
237.07649	1.6
249.06128	16.9
267.07175	3.7
288.02847	0.8
382.91232	0.6
399.12735	1.9
417.17477	2.5
435.18625	100.0
436.13318	0.8
436.18936	7.1
442.43756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.5
70.51536	23.2
83.77290	12.9
307.22299	12.8
428.87103	14.4
435.21460	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	435.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92413	4.0
59.01376	100.0
61.98825	13.1
71.01378	18.9
73.02949	15.0
78.95934	4.1
85.02954	6.8
89.02455	21.5
93.03461	4.8
99.00908	6.8
101.02429	12.2
113.02428	10.4
137.02423	6.1
149.04562	11.2
152.99565	6.8
218.43015	4.3
223.06081	5.0
231.13927	16.6
374.49734	4.1
435.21555	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34773	10.3
51.77863	10.7
51.87096	9.6
59.01352	13.9
104.37656	9.8
148.32695	10.8
221.30563	10.0
228.78815	11.0
320.06689	10.6
435.21512	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
50.74319	9.2
55.97425	8.3
59.01376	33.3
61.98831	100.0
67.38725	8.6
69.69891	7.5
71.08103	10.0
76.55897	7.5
117.12706	7.3
343.63965	8.0
350.58011	8.8
435.20206	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86243	10.5
59.01373	61.2
61.98829	59.5
61.99128	9.3
62.58049	13.0
63.99273	13.0
69.32315	55.5
125.45173	14.4
139.88721	11.5
160.85684	12.8
216.11549	17.4
231.13838	50.2
239.92499	11.3
328.41129	11.8
386.48892	11.0
435.21143	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	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98830	48.6
69.17668	46.7
71.01379	9.3
73.02909	12.1
74.73613	6.6
75.52599	7.1
76.96841	7.5
80.74545	7.1
82.80775	6.9
98.21841	11.7
101.02382	12.5
122.94615	7.6
137.02408	17.1
255.11150	7.7
408.49161	7.5
435.21085	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	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94194	6.7
59.01382	12.7
69.20257	40.3
94.75807	7.9
116.59146	8.1
123.74950	8.8
150.85333	8.1
435.21506	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
52.12344	33.8
59.01360	100.0
60.49271	35.7
63.74677	29.9
74.36333	38.3
88.18079	30.8
141.01732	37.8
149.14812	32.3
166.45122	35.3
175.13205	32.5
194.92722	41.2
247.84128	39.1
406.09024	35.3
435.21707	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	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60138	14.9
50.70410	15.0
59.01380	82.4
61.98822	100.0
65.15749	14.7
69.25571	94.9
98.22607	32.0
113.86853	19.1
190.69102	13.2
209.21698	15.8
231.43588	17.7
232.47989	14.9
240.37999	16.0
341.06470	22.2
435.21164	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	435.2235
Annotation	HC Toxin
Peak:m/z	Relative Intensity
55.01861	1.2
57.03449	4.2
58.00586	1.9
59.01378	90.3
59.87600	0.8
61.98827	1.0
68.33964	0.7
69.03452	0.8
69.55853	0.7
71.01382	38.2
71.05025	1.2
71.41316	0.8
72.99294	1.3
73.02955	6.5
75.00853	1.8
81.03441	1.2
83.01379	4.2
85.02950	9.7
87.00890	2.5
87.04515	9.7
89.02444	29.4
93.03474	5.5
95.01397	4.5
96.95992	1.0
99.00867	2.5
100.93412	1.2
101.02439	22.6
107.01395	2.5
108.02177	20.6
109.02957	28.8
111.00942	1.3
113.02451	15.7
114.68338	0.7
115.04031	0.9
115.27740	0.7
115.92108	1.2
116.92865	10.7
119.03500	14.9
123.00875	2.9
124.01652	2.7
125.02439	2.8
125.03372	0.7
126.91001	0.7
127.07647	1.7
131.03497	1.5
135.04700	0.8
136.01669	1.0
137.02458	9.9
138.03227	1.5
139.04018	1.0
143.03543	1.2
143.04648	0.9
149.04536	2.4
151.00360	13.0
151.04039	2.2
152.01160	29.8
153.01938	27.0
155.10806	0.8
159.04460	0.8
161.04543	3.2
161.08270	1.1
163.04044	1.0
165.01897	1.8
166.02721	2.3
167.09433	0.7
167.10756	3.0
169.01416	1.2
171.10194	3.6
177.01901	1.7
178.99863	15.9
179.03276	0.8
179.05630	3.2
180.00305	0.8
181.05089	2.5
181.12285	0.8
185.11809	5.2
187.04047	0.8
189.01842	1.1
193.01395	1.3
195.06590	1.5
199.09828	4.4
232.03726	9.6
233.04228	0.8
237.07657	2.6
243.03021	1.7
243.12332	2.6
255.16005	20.5
256.16382	1.1
259.02448	0.9
260.03229	1.0
267.07144	1.0
271.02579	2.4
272.08939	1.5
273.17120	3.5
281.06824	3.6
287.02011	1.5
288.02750	32.2
289.03491	12.0
304.06219	0.9
312.06378	0.9
315.07120	4.2
327.08688	1.3
342.11151	1.9
357.13559	5.3
375.14426	1.2
391.12115	2.1
393.17642	3.5
399.16870	1.0
417.21133	0.9
435.09372	49.0
435.22351	100.0
436.09677	3.3
436.22849	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	435.2385
Annotation	Lihsienin A
Peak:m/z	Relative Intensity
59.01360	1.0
61.98811	0.7
62.35321	0.4
67.14547	0.3
68.99429	0.5
68.99809	8.9
69.76370	0.6
69.76701	0.6
70.83563	0.3
71.01382	1.2
75.00848	0.8
79.62251	0.4
97.06591	0.3
98.22696	0.4
101.02438	5.9
103.00372	0.6
121.02918	0.4
123.04527	0.5
129.01941	6.4
135.04503	0.5
149.02423	0.8
149.06015	0.4
151.03975	0.9
151.07661	0.5
153.05647	0.4
163.04039	2.0
164.04723	1.0
165.05576	0.8
166.06334	0.6
175.04015	1.2
177.01918	1.8
177.05600	1.7
178.02699	0.9
178.06332	1.6
179.07080	1.2
180.07863	0.5
187.04086	0.4
188.04784	0.4
189.05583	1.0
190.02791	0.6
190.06410	0.8
191.03491	12.2
191.07126	1.5
192.04250	3.3
193.04974	1.1
193.08659	0.6
203.03584	0.4
203.07100	0.7
204.04204	0.5
205.01410	1.3
205.05054	12.5
205.08662	1.1
206.05830	33.7
207.06218	1.5
219.06628	0.8
220.03723	1.5
248.03378	0.5
249.22125	0.4
252.06416	0.4
275.20102	0.9
277.21741	3.9
281.49265	0.4
291.19901	0.5
291.23187	0.5
303.19641	2.8
303.22974	0.7
304.20142	0.7
305.21194	8.1
306.21545	0.6
306.51089	0.4
307.22427	0.4
318.18268	0.6
319.19098	1.2
319.22748	3.0
320.23575	0.5
329.21231	1.4
331.19055	2.4
331.22787	3.0
332.19894	16.2
333.20383	1.1
345.21140	0.5
346.17743	1.3
346.21481	2.6
347.22253	20.8
348.22620	1.7
375.21701	9.7
376.22021	0.8
399.15744	0.4
403.20950	0.4
407.24399	8.8
408.24707	0.7
429.37854	0.4
435.23846	100.0
436.24179	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	435.2386
Annotation	Dihydroclerodin I
Peak:m/z	Relative Intensity
52.46327	3.0
57.03430	5.3
59.01385	2.7
61.98832	3.5
63.03242	2.9
65.03958	8.6
65.54290	2.6
67.01891	9.3
71.44571	2.5
78.95933	2.7
95.01382	5.8
95.97081	2.1
109.02956	41.0
137.02463	15.7
148.27289	2.3
152.99611	7.4
168.96764	2.6
194.92766	2.5
253.75310	2.4
289.21515	5.6
301.25473	4.3
305.24789	6.2
310.90942	2.7
315.19821	3.1
329.24829	32.8
333.20724	5.4
339.47763	3.2
347.25818	48.9
348.26306	4.1
373.23810	29.1
391.24872	27.6
417.22836	51.5
418.22934	3.9
435.23871	100.0
436.24142	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	435.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31153	19.1
59.01378	100.0
61.98830	47.0
62.62851	17.7
78.95924	54.1
84.21836	18.2
92.92828	40.0
103.01492	76.2
105.89155	20.9
110.26743	18.8
126.38578	19.9
152.99591	82.5
155.00011	34.9
353.94788	18.9
382.73093	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	435.2512
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
50.34551	0.3
53.23675	0.3
59.01374	0.6
61.98809	0.9
62.96394	0.3
69.62480	0.4
69.62848	0.9
69.99627	0.3
78.95898	56.1
79.93759	0.3
81.09409	0.3
87.51178	0.2
96.96961	5.1
140.07237	0.3
150.98030	1.7
152.99577	100.0
153.99927	0.8
171.00641	3.2
225.22095	0.3
280.85898	0.3
281.24924	1.6
297.03592	0.3
309.20612	0.4
322.03839	0.3
382.84830	0.3
391.27567	0.3
400.21649	0.3
435.25058	12.8
436.25394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.1
69.94650	1.2
69.94980	1.2
86.95918	0.5
87.00876	1.1
87.42124	0.6
89.64525	0.5
94.96835	0.6
106.28951	0.5
138.03316	0.8
139.04027	2.2
146.40079	0.5
152.99747	0.6
161.55775	0.5
166.02791	0.7
167.03490	9.2
170.33864	0.7
178.00856	1.2
181.05064	1.3
185.63979	0.5
193.82542	0.5
235.21893	0.6
265.14374	1.5
293.17633	0.7
319.17105	7.7
349.23877	0.8
351.21808	1.2
377.23309	14.8
378.24072	100.0
379.24460	7.7
420.25171	11.1
421.25491	1.2
435.18301	8.8
435.27277	24.9
436.19162	0.6
436.28082	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	435.275
Annotation	(-)-Salvisyriacolide
Peak:m/z	Relative Intensity
69.94248	0.7
69.94574	1.4
78.12565	0.6
78.95889	1.3
93.86551	0.7
98.21909	0.7
119.05017	1.1
121.02959	0.7
121.06577	0.7
122.03720	1.2
123.00897	1.3
124.01667	2.3
136.01674	1.7
136.05254	1.1
137.02414	1.3
138.03139	1.3
149.02419	3.2
150.03252	2.9
151.04094	0.8
152.01123	1.8
152.99579	2.5
161.02486	0.8
163.03998	2.4
164.01184	1.5
164.04799	3.4
167.06926	0.7
175.04005	0.8
176.01099	5.2
177.01917	2.9
180.00645	1.9
189.02008	0.9
190.02708	2.1
190.06358	0.7
191.03477	0.9
206.02136	1.0
219.03119	0.8
243.20981	0.7
247.20619	8.5
293.21301	1.4
305.21124	2.9
309.20703	1.8
315.19684	1.1
319.19073	2.7
321.20654	4.2
333.20731	16.1
334.21030	1.3
345.20688	14.3
345.27863	1.2
346.21313	1.6
349.20160	28.9
350.20612	1.9
360.23209	0.9
363.21585	2.0
371.25986	0.9
373.27502	4.5
374.21039	7.3
375.25317	2.3
389.26910	2.7
391.24951	1.5
399.25223	1.8
417.26407	12.0
435.27484	100.0
436.27737	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76009	4.8
67.37611	5.1
70.83091	10.5
75.00854	18.0
80.64113	4.8
92.92781	7.6
152.99529	6.9
231.21147	5.7
278.11890	5.4
281.28448	52.9
303.19516	8.4
305.21109	10.5
307.26440	100.0
333.20837	8.1
391.28415	20.3
399.31088	36.5
435.20126	71.7
435.25659	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	55.9
59.27073	24.2
61.98819	100.0
69.21423	25.4
70.96571	27.1
130.60440	28.8
150.08029	24.3
195.73811	24.0
201.39757	25.0
209.12016	25.9
285.35168	26.3
355.18802	28.1
383.13684	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	436.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	80.3
84.58620	30.7
93.68037	31.7
127.94573	28.2
212.22183	30.7
228.98840	30.8
293.84637	37.1
321.58813	32.4
336.22949	100.0
387.31345	33.1
393.26736	38.7
435.80438	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	436.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38116	0.4
52.32047	0.4
59.46928	0.5
61.98829	100.0
78.95903	5.4
96.96970	0.4
104.91872	0.5
118.89956	1.1
150.98103	0.7
151.04135	0.6
152.99565	8.9
153.99942	1.4
191.58308	0.4
255.04201	0.4
289.77545	0.4
293.17633	1.3
333.24478	0.9
363.25378	1.3
367.98938	0.6
436.07013	0.6
436.25766	1.7
437.18564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66897	1.5
61.98830	100.0
71.45477	1.7
78.95926	3.7
78.98940	1.4
95.38148	1.5
105.01942	3.0
116.92823	2.4
142.62361	1.4
152.99612	1.7
155.00031	2.2
160.84213	4.2
172.17238	1.5
293.17609	2.6
320.17456	1.9
333.20569	2.7
379.24100	2.3
422.75598	1.8
436.18579	2.1
437.18066	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	436.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.01793	1.0
61.98828	100.0
65.98059	0.8
69.44752	1.9
69.45136	1.7
70.56324	0.8
70.69679	0.8
72.58356	0.8
78.95874	4.3
105.01929	1.0
152.99583	6.5
153.99944	1.4
168.37714	0.9
274.33310	0.9
293.17468	1.3
375.76724	1.0
407.24326	2.1
422.26462	1.5
436.26541	1.1
437.17975	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	437.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
60.54084	0.6
71.01379	6.4
73.02936	1.3
74.98367	0.6
79.27849	0.6
81.03436	1.0
83.01369	1.1
85.02950	2.8
87.00852	0.8
89.02457	1.3
91.01897	1.9
95.01389	1.2
96.95997	1.8
97.02921	0.7
99.00908	0.7
101.02453	3.3
107.01377	2.0
108.02173	7.7
109.02955	43.8
110.03298	1.0
111.00885	2.0
111.52311	0.7
113.02451	3.4
121.02844	0.8
122.03723	1.2
123.00885	13.2
123.04502	2.2
124.01665	37.8
125.02470	10.1
126.97825	0.7
135.00894	1.6
137.02522	1.3
138.03220	4.1
139.00363	0.7
139.03001	1.1
139.04018	13.9
149.02467	1.3
151.00362	0.9
151.04037	1.0
152.01161	4.3
153.01936	70.2
154.02263	1.8
161.04626	0.8
163.03998	1.0
163.09506	0.8
167.03462	2.8
169.01436	1.4
172.10812	0.6
177.09229	4.1
195.02975	2.0
207.02922	0.8
221.08228	1.7
225.03981	1.0
237.04022	0.9
239.09232	12.2
255.04968	0.7
266.03763	0.7
297.06158	21.6
298.06528	1.3
311.07751	3.5
331.02393	0.7
349.03815	1.2
377.15823	1.4
401.14532	8.6
402.14612	0.7
437.10852	100.0
438.11133	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	437.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20426	0.9
55.17887	0.9
59.01371	3.8
68.86623	1.0
71.01375	1.9
71.07494	1.0
85.02951	1.3
88.98811	1.3
89.02432	1.5
95.43075	0.9
97.02936	1.4
101.02431	2.1
108.02154	1.9
109.02955	26.0
123.00861	2.8
123.04509	3.1
124.01649	13.2
125.02462	9.6
135.04521	1.6
136.05272	2.0
137.06076	1.7
138.03232	12.5
139.04016	6.3
140.78439	0.8
148.05305	1.0
149.09717	3.8
150.03177	1.0
152.01099	1.1
152.04703	1.2
153.01927	45.1
160.24904	0.9
162.06851	2.1
165.05524	1.8
167.03510	5.3
167.10747	2.9
167.99248	0.9
168.00610	4.2
169.01295	1.0
177.01967	1.5
177.09196	44.3
178.09506	2.7
179.03447	1.4
180.07785	1.2
183.02930	5.9
193.08717	5.5
195.10240	9.5
203.07213	0.9
211.09720	1.6
221.08188	22.4
222.08447	1.2
238.08463	2.6
239.09230	100.0
240.09595	4.4
297.06015	7.5
327.07114	3.3
401.14471	82.0
402.14905	6.5
437.10837	26.4
438.10895	1.9
459.94678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.8
69.51365	0.8
71.01380	3.8
72.99303	0.4
73.02946	0.3
73.13966	0.3
78.91868	0.5
79.95728	13.4
80.96512	4.5
83.01397	0.3
85.02940	1.2
89.02434	2.4
95.01390	0.4
95.04986	0.3
96.36410	0.2
101.02437	1.7
101.62717	0.3
103.55225	0.3
104.87801	0.3
113.02450	1.2
119.03475	0.7
125.02439	1.0
151.07687	0.4
152.01173	0.3
172.99138	3.4
188.01477	4.6
201.02254	1.5
231.01770	0.3
239.09187	0.6
257.08511	24.5
258.08893	1.0
275.09576	9.9
276.09894	0.3
317.10690	1.9
347.11383	0.4
401.18527	1.5
437.14832	100.0
438.15152	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	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25723	1.2
55.09098	1.3
59.01378	100.0
61.98827	3.2
69.89897	1.5
71.01378	17.7
73.02943	24.0
83.01385	5.9
85.02940	1.5
89.02438	8.2
95.01411	1.3
96.96011	1.7
101.02438	18.5
105.29744	1.4
113.02423	8.2
119.03498	2.6
131.03477	2.6
143.03450	1.6
146.92616	1.4
149.04611	3.1
152.99565	2.0
155.96510	1.3
161.04547	5.3
168.61188	1.2
168.90479	1.3
203.05579	1.5
209.11787	4.3
314.22888	1.5
401.21661	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	437.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39456	1.2
58.79879	1.1
59.01371	1.5
61.98504	1.7
61.98825	30.5
62.75323	1.2
72.99317	2.3
75.00869	4.2
95.01379	1.9
105.01942	39.9
109.02926	1.7
110.87290	1.1
111.39813	1.3
113.66930	1.3
116.92858	2.1
121.02985	1.8
122.03735	3.7
123.00898	2.2
124.01654	2.9
136.01643	9.1
137.02435	2.1
138.03220	2.0
142.94026	1.3
149.02391	2.0
150.03204	6.2
151.00360	2.9
152.01181	2.4
160.84291	2.5
164.01152	2.7
164.04774	2.5
165.66148	1.3
171.62282	1.2
181.01489	3.5
195.17537	2.4
203.18036	5.3
219.17438	2.9
231.17465	4.4
233.19101	2.4
249.18689	2.7
261.18503	3.8
265.18069	4.4
275.16580	3.6
277.17996	20.7
291.16257	1.4
291.19714	2.3
293.17584	20.8
294.17780	1.6
303.19385	1.6
305.17542	29.2
306.17810	2.2
307.19162	4.3
319.19116	2.5
321.17099	13.1
325.18588	2.2
331.19058	2.0
333.17038	16.7
335.18488	6.2
347.18512	1.9
349.16519	10.1
349.20145	2.8
351.18317	1.6
363.18005	4.7
393.19150	2.4
409.18713	1.4
437.18158	100.0
437.24496	4.3
438.18771	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	437.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61975	1.3
59.01373	5.2
69.31721	4.4
69.32123	3.0
72.99303	3.2
75.00872	4.1
75.20760	1.2
78.01096	2.5
78.95899	4.5
83.05000	1.3
93.03462	1.9
97.06548	1.5
105.01935	42.9
109.02950	2.0
109.06576	4.4
111.00882	2.9
111.08153	3.7
121.02971	3.4
122.03744	3.2
123.00866	3.4
124.98830	1.8
125.99583	2.6
136.01642	8.8
137.02457	1.8
137.06050	2.8
138.03214	1.7
139.00372	11.6
149.02441	3.2
150.03236	5.6
151.00374	2.8
151.03986	6.0
152.01132	2.0
152.99576	6.4
153.99983	1.6
154.99966	2.2
164.04831	1.6
165.05634	1.4
171.90430	1.5
195.17596	6.8
197.18892	1.9
203.18074	4.8
206.05699	1.4
213.71135	1.3
219.17517	5.3
221.19080	2.7
223.20564	3.7
225.98882	1.4
231.17473	4.6
233.19081	1.9
251.16539	3.1
261.18665	4.8
263.20370	1.4
265.18213	2.1
274.77615	1.3
275.16492	4.2
277.18097	21.3
277.21262	2.8
278.18762	2.4
279.16010	4.6
279.19559	7.9
280.16849	1.4
281.17560	27.6
291.19501	2.3
293.17517	16.9
294.18192	1.9
305.17630	26.6
305.24835	4.6
306.18051	2.5
307.15628	2.9
307.18939	2.7
308.16394	6.8
315.23218	3.9
315.26724	1.8
317.17438	2.6
319.19266	2.8
321.16968	10.5
321.20660	11.5
321.24359	9.6
331.15366	1.7
333.17111	13.6
333.24277	7.2
335.18570	5.2
339.18054	3.9
343.22748	2.8
347.18658	2.3
349.16483	12.8
349.20328	3.1
359.22256	7.4
361.23883	2.7
363.18066	4.0
364.96515	1.9
377.27002	30.8
387.21689	3.0
393.19254	3.3
405.22910	3.1
418.05020	1.4
419.28027	5.5
437.18076	100.0
437.25217	25.9
437.30170	5.2
438.18527	6.9
438.24207	1.5
452.67621	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	437.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75051	0.9
59.01372	2.0
62.34081	0.7
68.77190	0.7
70.95178	1.4
72.99301	2.5
75.00875	3.7
75.47795	0.7
78.01063	0.9
79.61140	0.8
95.01418	2.1
99.00872	0.9
105.01936	45.3
106.04271	1.0
108.02183	2.1
109.02949	2.6
109.06589	1.5
111.00867	3.9
121.02968	1.3
122.03748	3.4
123.00871	2.8
124.01676	3.4
124.98821	0.8
125.99569	1.9
129.02007	0.8
132.05786	1.3
135.04503	1.0
136.01653	8.8
136.05281	1.7
137.02451	2.2
137.06064	1.5
137.99579	1.4
138.03258	1.8
139.00375	24.3
139.01402	1.7
149.02423	2.0
150.03253	5.4
151.00363	1.6
151.04005	5.2
152.01176	2.8
163.04076	1.3
164.01173	2.7
164.04800	3.1
165.05574	1.1
166.02740	2.1
166.99886	2.7
192.00841	1.2
195.17529	5.6
197.19080	2.1
201.19989	0.9
203.18042	4.9
219.17508	4.7
225.18706	1.0
231.17538	5.2
233.19131	2.1
249.18600	2.7
251.16470	2.1
253.17955	1.1
261.18585	5.6
263.16562	1.0
263.19855	1.3
265.18063	2.9
275.16568	4.1
277.18069	24.6
278.18457	1.7
279.16006	21.3
279.19290	1.0
280.16730	2.7
281.17560	19.2
287.23825	2.3
291.19601	2.5
293.17584	22.1
294.17715	1.4
295.15475	2.0
303.16153	1.2
303.19565	1.9
305.17563	32.0
306.18021	3.0
307.15701	1.7
307.19174	5.2
308.16321	16.6
315.23303	3.8
317.17581	1.1
319.15823	1.0
319.19250	2.6
321.17081	12.6
321.20557	1.4
322.17648	1.6
331.15631	1.7
332.69559	0.9
333.17087	17.4
333.20801	1.7
334.17508	1.8
335.18509	6.2
337.20221	3.4
339.17944	2.0
343.22745	1.6
347.18582	3.3
349.16559	10.8
349.20264	3.2
359.22168	7.4
361.23965	1.6
363.18222	4.5
377.23224	7.7
387.21848	5.4
393.19217	3.0
405.22562	4.8
432.61108	0.9
437.18170	100.0
437.25055	7.4
438.18481	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	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80214	0.7
59.01366	1.7
61.98851	0.8
63.25490	0.7
63.89278	0.7
65.26112	0.8
70.70464	0.8
72.99303	2.4
75.00873	4.5
93.03477	0.9
95.01369	0.9
96.02187	1.4
105.01936	39.7
108.02138	1.8
109.02961	2.2
114.29443	0.8
114.35091	0.8
121.02953	1.6
122.03734	3.5
123.00893	1.0
124.01639	1.7
136.01665	10.7
136.05257	0.9
137.02417	1.1
138.03206	2.2
144.37946	0.7
146.07368	1.0
149.02409	0.9
150.03223	6.3
151.00380	1.5
152.01126	2.2
160.84200	3.2
164.01093	1.3
164.04840	2.1
166.02661	2.3
192.00729	1.4
192.04297	1.1
195.17560	1.7
203.18098	5.2
219.17589	2.6
226.94952	0.7
231.17554	4.3
233.19151	2.5
241.71138	0.7
249.18680	2.1
261.18579	3.9
265.18073	2.9
275.16562	5.1
275.19824	1.1
277.18073	22.3
278.18497	1.3
291.15881	0.8
291.19745	1.9
293.17566	17.7
294.18115	2.0
303.16156	1.4
303.19562	1.5
305.17578	29.3
306.18033	2.2
307.19064	4.2
308.16037	1.0
317.17664	1.1
319.19138	3.4
321.17035	12.8
333.17093	17.6
334.17670	1.8
335.18637	6.4
339.18005	1.4
345.17398	1.0
347.18637	3.3
348.15677	1.2
349.16531	10.6
349.20279	3.2
351.18140	1.1
363.18103	4.2
364.18066	0.8
365.19409	1.1
393.19156	3.1
407.17392	1.6
437.18167	100.0
438.18509	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	437.1817
Annotation	Phlebotrichin
Peak:m/z	Relative Intensity
53.71788	1.0
55.01865	1.0
57.03434	5.0
59.01377	15.0
61.98819	3.1
69.03458	8.6
69.35925	5.0
71.01377	24.7
71.05017	2.2
73.02951	7.5
75.00912	1.6
81.03458	1.2
83.01393	4.4
85.02956	13.9
87.00855	1.5
89.02446	1.7
95.01395	3.8
99.00879	2.2
101.02438	17.1
108.02173	33.7
109.02951	100.0
110.03291	1.9
113.02457	12.8
113.06108	1.3
123.00872	2.2
123.04528	1.4
125.02414	2.1
139.11287	28.6
143.03482	2.6
147.30670	1.0
151.04059	1.8
153.01990	1.8
159.03001	3.2
161.04550	29.2
161.05844	2.1
179.10637	0.9
183.10255	80.4
184.10611	2.7
218.10352	1.0
237.11290	3.1
254.11612	3.4
255.12262	1.8
257.08295	1.6
271.08243	3.0
399.16458	1.6
419.73557	1.1
428.48520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98820	20.8
69.23003	16.4
69.23391	22.6
70.47604	8.1
71.01387	10.4
105.95232	7.8
122.12211	7.7
159.19876	6.8
168.62585	7.8
175.69412	8.7
195.72293	7.2
199.96962	8.6
201.77718	7.4
318.20145	9.7
379.42004	8.1
406.99194	7.9
432.83133	8.6
437.05029	8.4
437.21381	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	437.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	10.1
59.56644	1.1
63.31129	1.4
69.47665	6.1
71.01382	13.1
71.05025	9.5
75.00881	1.9
85.02950	3.2
87.00890	2.1
88.04038	76.3
89.02443	1.7
96.96011	3.6
97.06541	1.6
97.63148	1.3
99.00912	2.4
99.04538	2.1
101.02448	1.5
102.33401	1.3
109.02943	1.5
111.00920	2.1
113.02440	4.0
115.04020	3.3
116.92839	1.7
125.06073	4.0
125.72935	1.4
133.94020	1.3
139.03902	1.6
143.07127	4.1
146.08226	31.6
169.05099	1.7
187.06075	3.0
218.10312	100.0
219.10632	2.0
219.19539	1.3
220.81604	1.3
249.06143	2.0
253.05737	1.4
267.07169	1.7
365.50589	1.7
423.10321	1.4
437.12860	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	437.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57825	0.4
55.01865	0.5
57.03429	0.4
59.01379	9.3
61.98827	1.6
68.61111	0.4
71.01374	3.3
71.44593	0.5
72.99303	5.7
73.02949	1.9
75.00868	91.0
76.01202	0.8
83.01378	1.2
85.02943	2.5
87.00917	0.3
89.02450	0.6
91.35061	0.4
96.96009	1.1
98.22645	0.4
99.00889	0.9
101.02442	3.6
101.56204	0.4
102.02738	0.4
103.05050	0.3
109.02969	0.6
113.02461	1.8
116.41412	0.4
119.90035	0.3
123.04633	0.4
125.02432	0.7
127.45249	0.4
137.02452	0.5
151.03993	0.4
161.04593	0.4
161.05957	0.4
161.48201	0.3
163.63046	0.4
164.45457	0.3
165.60876	0.3
168.69615	0.4
171.04532	0.5
174.03178	1.2
175.03928	0.6
199.03989	2.8
201.60136	0.4
217.05040	3.6
229.18143	0.7
233.08614	0.4
241.05063	1.4
268.27258	0.4
275.14059	0.7
358.88297	0.4
391.23206	0.4
437.23853	100.0
438.24219	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	437.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13622	1.6
53.35867	2.1
61.98829	100.0
69.65092	3.7
69.65450	3.8
83.54263	2.3
87.27796	1.8
89.68559	1.8
97.06583	1.9
124.00392	40.8
125.01156	2.5
127.87039	3.2
134.75020	2.0
139.30725	1.8
175.70506	1.8
232.25127	1.7
233.15413	2.8
239.48473	1.7
279.18274	2.7
280.19293	15.5
307.15427	2.9
316.00754	1.7
334.23828	7.3
351.26563	9.6
376.25876	7.8
393.28647	12.0
401.10168	3.6
406.05334	2.0
437.27679	38.4
438.28024	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76736	0.7
55.23663	0.6
57.52325	0.6
67.42963	0.6
68.99816	1.6
69.52471	1.5
69.52856	2.2
72.99313	0.8
78.01102	6.0
78.95902	2.4
80.96324	1.0
84.02164	1.7
95.05025	1.2
97.06578	2.6
109.06524	0.7
110.28639	0.8
111.00885	2.0
119.05045	0.8
121.02937	0.9
123.00882	2.5
125.06112	0.7
125.99605	1.0
136.05286	1.9
137.02438	6.3
137.06021	0.8
138.03198	2.8
139.00378	6.3
147.04492	1.9
148.05215	1.4
149.02437	0.8
151.03981	2.8
152.99580	2.8
155.00005	1.5
165.05559	2.4
176.08430	1.0
179.18027	1.4
180.07936	1.1
195.17578	9.8
197.19122	2.0
207.17273	0.7
219.17545	19.2
220.18066	0.9
225.18535	7.3
237.70509	0.7
251.16528	2.6
253.18156	1.2
259.24176	0.8
265.18149	1.3
275.23825	1.8
277.18091	5.9
277.21707	18.0
277.24738	0.9
278.18884	9.4
278.21875	0.8
279.15897	1.0
280.16739	1.9
281.17587	33.5
282.17902	1.6
285.20709	1.4
289.25543	1.0
293.17578	2.2
293.24887	5.2
295.19208	6.9
297.17157	0.8
303.23331	3.5
305.24872	1.4
307.15582	2.0
311.18661	1.4
317.24802	1.9
319.22696	1.6
321.24326	100.0
322.24622	8.0
333.24344	2.1
337.27328	1.1
339.18109	15.9
340.18503	1.4
343.22824	2.0
359.22147	1.2
361.23724	5.9
362.49753	0.8
377.23380	1.8
379.44110	0.8
387.22073	0.9
405.22922	3.7
419.24347	1.3
437.16580	0.9
437.25388	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	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60062	0.5
58.58762	0.5
59.19417	0.4
59.56763	0.5
69.25993	2.6
72.01826	0.5
72.99313	0.5
78.01112	1.5
78.95898	2.0
84.02163	0.8
95.01385	1.0
95.04995	1.1
96.99303	1.2
105.01927	4.0
109.06606	0.8
111.00857	3.5
119.05021	1.1
121.03033	0.6
122.03699	0.8
123.00879	0.9
124.98794	1.3
125.99566	5.8
136.01643	1.2
137.06090	3.2
137.99644	0.7
138.99284	0.9
139.00363	17.5
142.25465	0.5
151.04018	0.8
152.99577	2.0
153.05539	0.8
153.99910	0.7
154.99983	1.4
165.05559	1.9
166.99837	2.2
179.18015	0.6
193.16209	0.5
195.17502	4.9
197.19098	2.9
203.18108	0.7
219.17509	4.8
225.18535	2.0
237.18542	1.1
251.16461	1.8
253.18053	4.4
263.16614	0.8
265.18005	1.9
269.41928	0.5
277.18118	2.2
277.21295	0.8
278.18677	0.9
279.15985	4.2
280.16742	1.5
281.17554	100.0
282.17911	5.0
289.25375	0.6
293.17612	1.1
293.24713	0.6
295.15515	0.7
305.17645	3.0
305.24713	0.9
307.15451	2.6
307.18890	0.7
308.16266	9.7
309.16742	0.5
315.23199	1.6
317.24994	0.9
321.17227	1.0
321.20920	0.9
321.24377	4.8
322.24518	0.5
331.22656	0.7
333.17047	1.2
333.24316	2.5
339.18018	1.2
343.22757	1.7
349.16559	0.7
349.23721	1.1
359.22247	3.1
361.23929	1.5
377.23257	21.6
378.23557	1.8
387.21957	3.2
405.22821	2.6
437.18164	7.0
437.25305	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	437.2693
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
59.01363	0.2
61.98825	0.5
67.33102	0.2
69.43150	1.1
75.00853	0.6
79.05534	0.4
81.03454	5.0
83.01385	0.6
83.05026	1.1
91.05554	0.4
93.03445	0.4
109.02921	0.5
109.06550	0.3
116.92883	0.2
119.05051	0.3
119.43233	0.3
122.03741	6.8
123.04526	8.6
124.04945	0.3
129.75964	0.2
135.03464	0.4
135.04512	8.3
135.38353	0.3
136.05289	1.0
137.02361	0.2
149.06064	1.1
159.04549	0.5
161.06125	1.2
163.07657	0.3
175.07646	0.5
177.09253	0.4
201.09474	0.2
205.12428	0.5
219.13753	0.3
222.69136	0.2
237.81654	0.2
245.15184	0.4
259.16907	0.3
273.18588	0.9
275.20071	0.3
299.19968	0.3
301.21689	3.8
313.21677	0.8
325.21518	0.4
345.13437	0.3
351.27075	1.5
353.24915	0.8
367.26453	2.5
377.24796	1.5
379.22406	0.4
386.73987	0.2
391.26547	0.5
393.28043	4.6
394.28275	0.5
395.25851	4.8
396.26047	0.4
403.66229	0.3
419.26062	0.5
437.26932	100.0
438.27261	9.6
455.19223	0.3
456.97009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31832	1.2
78.95912	1.5
80.96365	0.4
95.01378	4.4
96.02190	0.9
98.00117	0.7
105.01986	0.4
109.02967	1.2
110.00139	1.0
110.03769	0.4
111.00899	0.3
117.53652	0.3
123.00880	30.8
124.01711	2.6
137.02431	8.4
137.06041	0.4
151.00407	1.2
151.04030	0.7
152.01164	1.3
152.99559	2.6
153.99979	1.0
154.99995	0.8
165.01918	9.7
165.05511	0.6
179.03656	0.4
179.07149	2.0
193.08641	0.7
221.11815	0.6
235.13498	0.7
249.14899	0.5
263.16412	0.7
277.17990	0.6
290.61481	0.4
291.19644	1.0
316.20483	0.6
331.22733	1.5
364.22510	1.4
366.64255	0.4
375.21939	0.8
377.19733	0.6
379.24924	1.0
390.24091	1.2
392.21967	3.0
405.26431	8.4
406.26590	0.7
407.24359	100.0
408.24695	8.3
422.26712	64.7
423.27048	6.2
437.18137	1.4
437.29077	28.7
438.29425	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	437.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51176	20.0
51.55113	17.8
61.82236	20.0
69.21089	100.0
71.14128	17.6
79.77198	17.8
108.71730	18.8
115.42025	21.2
145.84270	21.2
437.18344	29.5
450.43018	20.9
460.11438	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	437.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61328	29.9
69.86763	83.1
78.95916	52.4
98.22530	38.1
118.22455	26.5
121.29922	23.6
152.99554	100.0
437.18085	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	438.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45494	0.3
53.25860	0.3
55.01880	0.3
57.03439	0.3
59.01375	100.0
61.98825	59.1
62.23470	0.4
64.56147	0.3
68.87861	0.3
71.01378	4.4
71.06832	0.5
73.02933	2.2
83.01384	0.4
85.02955	2.2
88.98801	3.2
89.02428	0.9
99.00840	0.4
101.02441	3.1
113.02448	2.5
125.02409	0.4
161.04454	1.2
188.01207	0.4
205.16011	0.4
211.13393	0.4
228.74637	0.3
235.16827	1.5
259.79202	0.3
279.94519	0.4
289.16287	1.4
351.79083	0.3
379.20700	1.3
397.22516	2.4
453.80511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.09195	8.1
61.98826	21.0
69.35586	36.6
71.01373	20.1
73.02929	34.2
83.01357	11.6
101.02431	21.8
157.14084	10.3
161.04457	11.0
168.49794	10.6
176.08456	12.6
179.96159	9.1
191.10713	35.0
193.91531	8.8
223.63780	10.7
268.00998	10.5
290.14938	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	438.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79449	6.3
56.11346	7.4
59.01381	100.0
62.37353	7.3
63.00146	6.0
71.01377	14.8
73.02945	9.7
85.02943	8.8
101.02407	11.4
153.71057	6.2
161.04637	8.7
191.10747	15.8
229.61137	10.0
234.15991	7.5
291.19608	6.3
316.56085	6.6
353.94888	7.1
393.26376	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	438.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.4
59.01147	0.9
59.01379	8.3
61.71358	0.9
69.61880	2.1
69.62254	3.1
71.01372	3.6
73.02929	1.3
79.75657	1.0
83.01381	1.8
85.02942	2.3
97.02887	1.0
101.02431	2.4
109.02960	1.8
111.00826	1.2
113.02474	1.9
123.04538	3.7
125.02433	22.0
137.02452	7.2
145.02963	4.3
149.02469	3.5
159.04524	2.2
161.02496	1.4
161.06042	1.7
167.03467	6.3
185.06082	1.6
191.03531	1.1
198.05481	1.0
203.03638	1.1
203.07187	4.8
205.04951	1.5
227.07149	1.2
235.09752	1.9
237.14938	11.4
238.15282	20.8
239.15511	1.5
240.16008	1.2
253.05212	2.3
271.06122	8.1
289.07156	8.1
291.82025	0.9
373.23886	1.2
394.66296	1.0
400.20557	100.0
401.20905	6.9
402.21164	7.3
438.17999	2.2
439.10223	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03458	1.8
59.01380	20.4
60.97324	1.2
62.75991	1.5
64.10915	1.3
64.83583	1.3
69.12058	3.4
69.12476	5.2
71.01380	27.1
73.02939	15.9
79.95753	1.2
83.01377	5.3
85.02953	14.6
87.00870	2.3
88.98808	2.2
89.02453	5.3
95.01382	1.9
96.95995	1.6
99.00885	4.9
101.02437	29.2
101.90961	1.4
113.02444	11.2
125.02467	3.4
149.27419	1.3
156.45436	1.4
159.02985	1.8
161.04514	7.5
196.57430	1.2
216.29454	1.3
218.57686	1.2
263.14969	42.1
395.19205	100.0
396.19550	5.1
435.18307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.7
59.21306	0.8
61.98825	100.0
64.17207	0.6
69.40008	3.9
80.63573	0.7
81.03462	1.3
81.98496	0.8
83.01376	9.2
96.96101	0.9
105.01935	1.3
107.01402	1.3
109.02980	0.8
123.00881	0.8
123.04514	1.5
125.02438	88.0
126.02778	2.1
137.17523	0.7
143.20598	0.8
149.02478	1.1
157.78596	0.8
167.03503	0.8
197.80174	0.8
249.18629	3.9
249.42140	0.7
254.06952	0.9
293.17734	2.5
371.31357	1.0
375.16901	0.8
375.21722	18.0
376.22070	1.1
438.06589	1.0
438.18646	3.3
438.28995	2.3
439.06720	1.1
451.06638	1.1
453.81104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57004	4.9
61.98541	6.7
61.98830	100.0
69.18014	14.1
69.18420	11.0
81.77316	4.4
92.51746	4.1
116.37479	4.9
121.48158	4.8
163.41110	5.2
298.53766	5.6
341.61829	4.7
350.96277	4.7
390.63708	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	438.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.50516	3.8
75.00882	0.8
88.05997	0.7
96.95998	1.6
98.22679	0.8
105.01926	5.5
106.02263	1.3
109.31335	0.8
122.03747	0.8
123.00905	0.8
147.54144	0.8
160.84206	16.9
174.51126	0.8
278.18329	2.4
294.17795	1.4
303.89185	0.9
305.17654	0.8
306.17944	2.9
334.17349	2.7
337.67773	0.8
339.51480	0.9
350.16885	2.6
353.20047	1.3
438.18445	13.7
438.24588	1.7
439.16077	1.1
439.28680	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	1.9
72.61325	0.7
73.02975	0.6
78.95899	29.9
79.95718	3.3
80.96540	1.6
85.02994	0.5
96.96035	100.0
96.96980	63.7
101.02463	1.1
105.68915	0.4
107.07864	0.5
113.02506	0.5
115.00387	2.3
122.97575	0.6
123.00898	1.4
133.01443	3.8
137.36163	0.4
138.03215	1.4
138.97086	2.0
152.98639	4.6
156.06612	0.4
164.98495	0.5
166.99879	2.2
180.98131	1.6
182.02206	8.3
183.94125	0.4
197.04535	7.9
202.94847	0.5
241.00223	73.6
242.00468	1.4
276.73157	0.4
292.23492	0.5
439.05328	17.0
440.05676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
59.01374	0.5
66.79346	0.5
70.99626	0.5
71.01363	0.6
73.02927	0.8
78.11198	0.5
79.95713	2.8
80.96553	1.3
85.02950	0.7
94.98090	0.6
96.96009	100.0
101.02449	0.7
112.84965	0.5
122.97569	0.7
123.00858	1.7
138.03242	1.2
138.97086	0.8
150.97034	0.7
152.98636	7.8
153.05540	0.6
166.75246	0.5
166.96526	0.4
166.99811	3.1
180.98119	2.4
182.02211	11.3
197.04536	14.2
241.00226	95.9
242.00528	2.6
327.22375	0.5
439.05487	18.8
440.05527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84901	0.3
59.01371	2.7
70.33691	0.6
71.01382	2.6
72.99308	0.6
78.95903	10.8
78.96376	0.6
79.95728	2.1
84.47547	0.3
89.02443	2.3
96.96010	100.0
96.96936	26.3
101.02433	0.8
113.02448	0.8
115.00365	1.1
119.03506	0.8
123.80136	0.3
133.01447	1.8
152.98561	0.6
156.98198	0.3
175.03998	0.4
179.05603	0.9
182.02214	1.1
197.04561	1.4
204.86145	0.3
208.92598	0.3
217.00156	0.3
241.00224	11.2
260.06619	0.3
293.28897	0.3
341.10785	4.3
439.05725	2.1
454.29333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61634	1.0
59.01378	6.3
60.01267	1.0
65.40861	1.1
69.88726	1.7
69.89054	2.0
71.01385	10.6
72.99308	2.0
73.28230	0.9
78.95905	50.5
79.95735	3.0
80.96501	1.5
89.02443	6.1
96.96007	92.9
96.96960	100.0
97.59052	1.2
101.02444	2.4
109.94792	0.9
113.02419	2.1
115.00380	18.9
123.00884	1.8
133.01439	40.6
134.01816	1.3
134.99086	1.0
138.03204	1.2
138.97102	2.5
141.08611	0.9
145.86481	0.9
150.97026	1.1
152.19266	1.2
152.98662	3.2
161.90633	1.0
179.05634	2.4
180.98122	1.8
182.02170	5.3
197.04533	7.2
241.00230	58.7
242.00636	1.2
244.64522	0.9
251.13564	0.9
280.45325	1.0
341.10858	6.0
355.69257	1.1
439.05280	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	439.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21059	0.4
59.01375	5.1
59.71619	0.3
61.98818	1.1
69.03465	2.3
69.94658	0.8
69.94989	0.4
71.01385	3.4
72.30600	0.5
72.99313	0.5
73.02935	0.8
75.00867	0.9
79.01894	1.1
81.03455	1.1
81.39357	0.4
83.01383	1.9
84.95108	0.6
85.02960	1.5
87.00861	0.9
89.02445	1.6
95.01401	1.3
96.96011	1.5
97.02940	3.4
100.75315	0.4
101.02451	1.9
107.01387	6.0
111.00856	1.0
113.02449	2.0
119.03438	0.5
122.03701	0.5
123.00884	6.6
124.01656	9.0
125.02444	100.0
126.02788	1.9
127.00343	0.5
127.52261	0.4
136.98839	0.4
137.02455	0.9
139.00389	1.1
140.01146	1.8
141.01907	0.9
149.02444	1.9
150.03194	4.1
151.00365	3.9
151.04005	0.6
153.01923	0.8
154.00542	0.4
161.04558	0.7
165.01909	3.0
165.05563	4.2
167.03500	1.9
168.00699	2.8
169.01419	34.0
170.01768	1.0
177.05576	0.8
179.03470	0.6
179.05594	0.7
180.04315	1.7
195.03033	0.8
195.06593	6.2
211.02504	1.4
266.57675	0.5
268.05841	0.5
271.04642	0.9
287.04657	0.7
287.07724	4.4
297.06094	1.0
313.05664	14.8
314.06052	0.6
379.05603	0.8
379.16000	0.8
391.14133	1.0
397.17038	0.9
439.08792	75.2
440.08966	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	439.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29807	0.7
57.03446	6.9
59.01377	100.0
69.03446	0.9
71.01385	7.3
71.05029	1.6
71.33807	0.6
73.02941	4.8
75.98251	0.6
81.03471	2.4
81.07920	0.6
83.01382	5.6
85.02955	3.2
89.02451	1.8
91.01857	0.6
93.03477	2.1
95.01384	1.4
95.05045	1.5
97.02939	3.1
99.00884	0.7
101.02445	6.3
108.02182	4.2
109.02957	12.6
111.00912	1.2
113.02466	2.8
113.88889	0.6
117.03498	1.1
121.02962	2.5
123.00872	0.8
123.04519	11.4
124.01691	1.1
125.02444	50.1
126.02788	1.1
135.04486	1.5
135.26534	0.6
136.01611	1.0
137.02441	21.4
137.03491	1.3
139.04022	4.0
145.02954	12.5
146.03725	1.9
147.04523	0.7
149.02440	11.2
150.03217	1.1
151.04004	4.7
152.01196	3.7
157.06494	0.7
159.04471	5.7
160.05359	1.2
161.02487	1.4
161.04602	4.0
161.06116	5.0
164.01158	1.5
165.01921	8.7
167.03505	9.2
167.04892	0.9
172.64938	0.7
173.05989	0.9
175.03973	1.3
175.07646	1.2
177.05579	0.6
179.03522	3.0
182.04253	0.6
183.04526	1.3
185.06104	2.5
187.04021	6.1
188.04803	4.1
201.05554	1.6
202.06331	0.7
203.07098	9.2
204.07533	0.8
205.05058	3.8
206.05795	1.2
211.04160	1.1
221.08273	1.1
227.07178	2.9
229.05092	1.5
230.05833	2.3
235.17047	1.2
245.08179	10.4
245.10555	0.8
247.06244	1.4
253.04997	5.7
256.03833	1.5
264.13553	0.9
271.06091	17.0
273.07849	0.9
274.04965	1.5
277.13696	1.7
289.07175	67.7
290.07526	4.0
294.14468	0.6
301.07272	1.3
353.10239	1.4
379.21420	0.7
386.42267	0.6
395.11517	0.9
397.22470	3.3
401.17654	0.7
439.10764	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	439.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03703	0.4
57.03446	14.6
59.01375	2.6
65.17722	0.4
65.25766	0.4
66.22048	0.3
69.98566	0.5
69.98904	0.8
71.01386	1.0
73.02953	0.7
81.03463	1.4
83.01390	4.1
93.03452	1.3
94.47196	0.4
95.05015	1.7
95.95455	0.3
96.96021	0.9
101.02452	0.8
105.03450	4.3
108.02187	0.4
109.02971	0.8
111.03874	0.4
121.02963	0.6
123.04528	1.5
124.01696	0.7
125.02444	100.0
126.02763	2.2
133.02921	1.9
137.02451	9.3
139.04008	0.6
145.02922	1.9
149.02463	1.6
149.06140	0.5
151.03999	1.1
159.04498	0.7
161.02441	40.6
162.02882	1.6
166.02716	1.0
166.08185	0.5
167.03526	1.6
175.03989	0.9
177.05551	4.0
183.04517	0.9
185.02460	0.4
197.06039	0.6
199.03954	0.7
201.05533	1.9
203.07195	1.2
205.05112	0.8
208.13715	0.5
219.06450	0.5
225.05637	0.7
227.03500	0.8
235.13489	0.7
241.05257	0.5
243.06609	1.2
253.04994	0.6
269.04550	3.4
271.06116	3.8
287.05569	3.7
288.05939	0.4
289.07242	2.9
301.07187	0.6
333.17111	1.3
400.20599	0.7
401.20786	1.0
439.10260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69159	2.9
63.17090	2.7
69.48993	11.5
83.93081	4.7
84.93850	14.9
91.44102	2.6
98.22636	5.2
99.34096	2.9
99.92583	100.0
100.92652	4.7
100.93346	33.8
104.02680	5.6
115.92072	45.7
115.96198	3.1
116.92852	14.4
117.93658	3.9
121.94615	7.0
130.94366	4.1
193.15964	37.7
195.17513	38.0
209.15425	3.9
217.15948	14.3
219.17480	15.5
221.92685	4.1
249.14929	13.4
251.16559	13.9
263.11148	17.8
267.16000	16.6
277.14392	11.2
279.15967	6.0
289.14420	4.5
291.10498	3.5
293.94666	12.1
295.07092	5.1
295.10126	55.7
295.15332	19.5
296.10294	5.9
305.13898	5.0
313.16504	9.7
337.16577	32.6
339.18079	15.4
345.53140	2.6
351.09180	4.6
353.10721	5.2
363.08621	4.5
365.83865	2.9
373.55923	3.0
381.09921	7.3
421.09692	14.9
439.10922	54.7
439.16217	3.7
440.10989	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	439.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02137	0.7
59.01379	100.0
59.60179	0.6
60.01711	1.0
61.98847	1.0
69.50536	2.9
71.01378	8.7
73.02949	15.2
78.33090	0.6
80.06475	0.6
83.01392	3.9
85.02981	2.3
89.02466	2.7
95.01390	1.0
97.02932	0.8
98.21892	0.9
101.02445	8.1
113.02428	4.3
119.03522	1.3
123.33279	0.7
124.11424	0.6
125.02435	1.5
142.06012	0.7
143.03494	1.5
155.03519	1.5
155.10786	9.7
161.04581	2.0
197.11884	2.6
203.05719	1.1
217.15965	0.8
235.17087	0.8
240.30548	0.6
250.21407	0.7
286.79016	0.7
397.22443	1.9
439.16629	0.8
439.22910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11880	0.7
59.01371	4.0
71.01375	1.6
71.12896	0.9
72.76585	0.7
72.99301	2.3
73.23782	0.7
75.00468	1.5
75.00872	21.4
87.00838	0.9
89.02446	2.3
93.03473	1.4
95.01394	0.9
96.02180	1.6
98.22526	0.9
106.04249	1.3
109.02962	2.3
117.01964	1.2
121.02977	1.3
122.03747	3.1
123.00882	2.4
124.01733	3.9
132.05832	1.6
135.03006	24.3
136.01660	9.4
136.05299	1.1
137.02412	1.5
138.03215	1.5
145.01494	1.3
146.07405	1.8
149.02452	1.7
150.03226	5.8
151.00403	4.5
152.01172	3.8
163.03931	1.1
164.01157	2.8
164.04773	2.8
165.01897	1.7
166.02707	2.9
167.14430	1.5
175.14908	2.8
178.02866	0.9
191.14430	3.5
192.04364	1.2
193.16002	1.3
203.14391	6.8
205.15974	3.4
221.15475	3.4
233.15405	5.7
237.15015	4.5
247.13408	3.2
249.14946	21.5
249.17598	1.1
250.15388	2.0
251.16466	1.8
261.14825	1.2
263.12790	1.9
263.16483	1.6
265.14426	34.5
266.14676	1.5
275.12979	1.6
277.14441	37.7
277.17535	1.9
278.14948	2.9
279.16025	6.1
280.13116	1.7
287.16574	1.1
288.05038	0.8
289.14438	1.1
291.12299	2.1
291.16010	2.1
292.13031	1.1
293.13971	18.8
294.14435	1.0
295.15445	1.9
303.16040	1.0
305.14011	23.7
305.17426	1.9
306.14340	2.3
307.15573	6.9
311.15082	1.5
315.15881	0.9
319.15427	1.3
320.12637	3.0
321.13446	13.5
322.13766	1.6
323.14999	2.1
327.92053	0.8
333.13351	1.2
333.17123	1.2
335.15030	6.2
346.75519	0.9
347.14957	1.3
365.16327	0.9
372.93420	0.8
379.13815	1.8
395.17004	5.4
411.16690	1.1
439.16068	100.0
440.16354	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
57.96677	0.5
59.01381	6.8
61.13169	0.5
67.01891	1.0
69.42973	1.0
69.43362	1.4
71.01374	2.3
78.95930	0.5
81.03448	2.0
82.04886	0.6
93.03442	0.9
95.01385	1.6
95.05022	4.4
96.96001	2.1
107.01404	1.6
108.02175	1.4
109.02950	3.5
117.09889	0.6
121.02975	0.8
122.03741	45.6
123.00896	4.0
123.04490	2.2
125.02456	9.3
126.03209	0.8
137.02470	2.4
137.06087	74.6
138.06413	1.8
139.00418	0.7
139.03999	0.9
143.04951	0.5
145.02934	0.7
148.01712	1.0
149.02457	0.7
151.00395	3.0
151.03987	1.1
153.01929	3.1
154.02745	0.9
161.02419	2.5
163.04013	6.5
165.01909	0.7
166.99846	2.4
167.03543	0.6
174.03290	0.6
175.04001	1.9
176.04735	1.2
177.01923	2.0
179.07120	2.6
182.84393	0.6
187.03992	0.9
189.05528	1.2
191.07132	1.6
199.03975	1.6
201.05585	1.2
202.06387	0.8
205.08704	6.8
217.05022	1.7
217.08675	6.5
233.11819	23.0
234.12138	0.8
239.12880	4.3
241.00258	0.7
241.05014	1.2
245.08192	1.2
255.02800	0.8
259.09756	7.6
269.04425	1.2
271.06161	0.7
277.10809	100.0
278.11212	5.0
285.03989	1.4
287.05615	0.9
290.22025	0.6
301.03506	3.8
301.10806	1.3
313.03583	1.2
401.18344	2.6
439.06357	1.6
439.16064	26.2
440.16516	1.8
462.92459	0.6
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
55.02438	1.9
58.06549	2.0
58.94845	1.9
59.01377	66.1
61.98831	4.9
71.01382	42.9
72.99311	2.2
73.02928	14.9
76.21086	1.7
83.01399	3.5
85.02950	10.8
89.02440	63.0
96.96001	2.7
97.02962	2.0
99.00900	13.0
101.02439	32.2
109.02972	3.4
113.02455	15.9
119.03524	10.0
123.00797	2.0
123.04489	1.7
125.02448	13.7
131.03482	5.8
141.01926	6.1
149.04533	27.6
150.03285	2.9
153.01909	4.3
157.67589	1.9
161.04565	5.9
163.07651	3.2
165.05588	2.9
169.01440	6.2
179.05675	5.4
191.05652	4.7
193.01411	9.0
195.06592	2.9
205.78728	2.4
243.02983	2.8
247.11865	6.3
251.07661	2.6
272.03622	2.2
379.16064	100.0
380.16290	6.9
414.93228	2.0
439.08997	12.9
439.16583	3.2
452.05820	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	439.2122
Annotation	11beta-Hydroxydihydrocedrelone
Peak:m/z	Relative Intensity
59.01370	1.2
61.98822	2.3
69.56741	2.5
96.95953	1.2
98.22668	1.7
105.01928	0.9
108.02164	1.7
119.94731	0.8
122.03733	1.4
123.00866	1.1
124.01664	7.1
125.02443	1.5
137.02368	1.1
149.06104	1.2
150.03200	1.9
160.54614	0.8
160.84261	0.9
161.02403	1.7
174.03244	2.8
187.04022	1.1
191.03305	1.1
192.95799	1.5
199.04057	1.6
213.05539	1.2
226.06508	1.0
227.03461	1.5
229.04924	1.3
238.14505	0.9
265.14420	1.2
272.25012	0.9
281.91879	1.0
295.24307	3.5
339.23315	2.4
349.21353	1.3
351.23206	2.3
355.22870	1.3
367.22906	9.1
383.21951	2.2
393.20837	1.8
395.22360	2.8
411.21866	5.6
421.20380	2.8
439.16492	4.1
439.21243	100.0
440.21506	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	439.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96472	1.4
59.06776	1.5
60.77076	1.5
68.99824	1.9
69.23538	8.2
71.58287	1.9
76.16953	1.6
78.01125	1.5
80.38212	1.3
88.01991	1.3
101.90143	1.3
108.02148	3.2
109.06558	4.0
110.00090	2.3
111.08174	1.6
119.04975	3.4
121.02959	1.6
121.06590	2.7
123.00869	8.5
125.99577	5.3
135.04488	1.9
137.06087	3.3
137.99597	19.4
139.00366	4.1
139.07582	2.1
140.01158	1.7
145.83296	1.4
149.02443	10.0
149.06142	1.8
152.01137	2.9
163.03964	1.6
165.05571	6.1
177.05513	2.9
193.15872	1.6
195.17525	23.5
197.19095	2.6
201.92549	1.9
219.17540	6.0
225.18567	1.9
237.18423	2.5
251.16495	28.5
253.18054	2.5
263.16345	1.5
265.17990	5.4
279.15997	100.0
280.16321	4.6
281.17569	78.5
282.17834	4.4
289.17990	2.2
289.25284	5.5
297.15344	2.0
300.60983	1.9
305.24969	1.7
307.15506	82.8
307.18747	2.8
307.26694	3.6
308.15817	4.3
309.17007	2.7
315.23343	3.9
317.24728	5.3
333.24274	17.6
335.25876	9.0
343.22791	5.6
359.22232	5.5
361.23792	59.9
362.24069	5.1
377.23209	5.1
379.24753	2.4
387.21683	6.3
393.20877	2.6
405.22815	11.8
421.20328	8.2
439.21536	19.4
440.22208	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02085	3.9
57.24713	4.3
59.01372	9.3
60.42439	3.8
61.98793	5.9
69.60606	13.8
75.00836	4.3
79.69698	4.1
96.95990	9.3
97.02931	4.8
109.02964	3.9
110.97752	4.3
123.04520	7.8
135.03012	5.7
151.04021	10.1
153.05533	17.1
187.13387	13.8
249.14946	7.7
265.14465	6.5
277.14319	7.3
305.13754	5.8
321.13345	8.0
333.24246	15.2
343.22586	12.2
361.23734	36.4
362.24329	4.8
403.24878	100.0
404.25232	11.0
439.15964	25.7
439.24683	11.0
462.41327	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	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80199	2.7
56.40502	2.8
59.01378	100.0
69.52722	9.2
71.01378	29.7
72.05943	2.5
73.02950	8.3
73.08812	2.6
78.88093	3.0
83.01399	4.1
85.02945	8.2
88.77297	2.8
89.02446	15.9
95.01364	3.5
98.22533	6.7
101.02447	16.8
109.07896	2.8
113.02464	13.9
119.03525	5.0
125.02444	4.5
157.86095	3.1
189.99840	2.9
192.95770	5.9
217.15907	6.4
235.17043	32.3
379.21274	40.8
380.21674	4.1
397.22293	81.0
398.22693	6.2
439.23276	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	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01711	0.9
61.88921	0.3
61.98811	0.4
69.16317	2.2
69.26129	0.3
71.01379	4.6
73.02952	1.7
83.01381	0.7
85.02943	1.9
89.02442	1.6
93.03472	1.2
93.50139	0.4
95.01411	0.6
101.02428	2.5
107.85192	0.4
113.02428	2.1
119.03509	0.8
137.02454	2.7
161.04605	1.5
212.58051	0.3
235.17023	0.8
296.88217	0.4
379.21219	0.6
397.22412	2.6
398.22253	0.4
439.23480	0.6
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
55.01883	0.4
57.03444	0.8
59.01376	100.0
60.01710	1.0
61.98817	0.5
69.20793	1.4
71.01379	4.7
71.48351	0.2
73.02946	1.9
83.01408	1.1
83.05064	0.3
83.24563	0.3
85.02941	2.5
87.00878	0.4
87.96074	0.2
89.02457	1.1
95.01393	0.6
96.96066	0.3
97.02935	0.3
99.00879	0.6
101.02442	3.1
113.02441	2.7
119.03574	0.4
125.02455	2.5
131.87523	0.2
135.08241	0.3
137.02512	0.4
143.03525	0.3
146.22661	0.3
159.03087	0.4
161.02505	0.7
161.04526	1.7
163.11299	0.5
197.57533	0.3
206.13170	0.3
235.13443	0.4
235.17046	1.8
271.02634	0.6
379.20966	1.3
397.22293	5.0
397.52795	0.2
439.06812	1.4
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
57.03454	0.4
59.01376	100.0
60.01722	0.6
61.98817	1.4
71.01376	3.0
73.02952	1.3
83.01379	0.4
85.02939	2.1
86.89383	0.3
88.98815	0.3
89.02435	0.6
93.34229	0.2
95.01379	0.6
99.00896	0.4
101.02441	1.9
109.54416	0.3
113.02440	2.0
161.04552	1.4
171.09428	0.3
175.19745	0.3
176.71136	0.3
211.13361	0.4
235.17134	1.0
379.21347	1.3
397.22287	2.4
401.63281	0.3
439.23553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87853	0.3
54.03357	0.4
57.03448	0.7
59.01377	100.0
60.01706	0.5
61.98830	5.4
69.09875	2.3
71.01377	5.3
73.02944	4.7
78.95921	0.3
80.26170	0.4
83.01395	1.5
85.02964	1.5
86.44633	0.3
87.00899	0.4
88.15961	0.3
89.02451	2.6
93.03456	0.5
95.01402	0.8
96.96004	4.8
97.02991	0.4
97.06583	0.4
99.00896	0.4
101.02431	3.9
109.02940	0.7
112.98872	0.4
113.02454	2.7
119.03495	1.1
121.03022	0.4
123.04517	0.5
125.02459	4.0
129.09235	0.9
132.36200	0.3
137.02461	1.2
161.02473	1.0
161.04587	1.2
179.05528	0.5
211.13324	1.9
217.16031	0.6
289.07275	0.4
305.06729	1.0
397.22559	1.1
403.13989	1.0
439.11191	0.7
439.19769	1.0
440.21146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41756	2.2
69.03455	4.8
69.27808	14.6
71.01388	3.5
85.02941	4.3
96.02174	3.5
97.02944	4.3
99.00863	14.3
111.08160	10.1
121.06622	3.6
139.07687	15.7
157.70537	2.9
159.03102	2.5
163.11305	2.7
167.07170	4.6
211.20869	2.9
225.22234	5.0
227.20181	7.3
235.20769	4.6
237.22267	6.9
249.22235	4.4
251.20143	77.3
252.20531	5.8
253.21716	23.7
265.21765	3.1
277.21652	9.5
279.19571	3.0
279.22934	3.3
281.17996	3.9
281.21216	13.3
293.21216	6.1
295.22717	9.1
305.20990	4.4
305.28516	17.8
306.21902	4.6
309.20694	19.9
323.25015	9.3
323.29135	5.5
326.99881	2.7
337.20251	5.2
349.27475	100.0
350.27872	7.7
353.19519	4.5
367.28561	6.1
377.27161	14.9
439.26910	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49835	0.6
63.01074	0.7
69.25913	3.3
77.87803	0.7
81.03405	1.7
82.05493	0.7
83.05009	1.3
84.11916	0.8
122.03736	3.4
123.04564	1.1
135.04527	4.7
136.05219	0.7
149.06078	1.3
168.17468	0.7
195.17543	2.9
251.16435	1.9
297.17105	2.9
335.24216	1.8
353.28619	2.5
355.26306	1.3
363.23801	1.0
369.27942	6.4
379.26480	1.9
395.29431	9.0
396.29837	1.0
397.27524	5.7
398.27771	1.0
409.22186	0.9
424.24802	0.8
439.28510	100.0
440.08954	1.1
440.28796	11.0
440.34250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.285
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
55.01873	2.5
59.01373	0.5
61.98822	0.8
69.08011	2.5
71.05013	0.4
75.00870	0.9
81.03455	3.5
95.05004	0.6
96.95988	0.6
105.07109	0.9
111.01785	0.3
121.02846	0.3
122.03761	0.5
135.02983	1.0
135.04538	0.6
136.05275	3.5
137.06076	9.3
138.03221	0.4
149.06087	6.3
149.48550	0.4
150.06828	0.9
164.12573	0.3
175.07637	0.6
191.96642	0.4
192.95905	1.0
193.82306	0.4
233.15588	0.5
249.14948	1.1
265.14389	1.3
277.14508	1.1
289.21759	2.2
293.17624	0.9
301.21753	0.8
305.14008	1.3
321.13705	0.6
321.17419	0.5
335.15204	0.5
339.26868	0.7
355.26410	1.4
365.24869	0.7
366.19385	0.5
383.25861	2.1
395.29544	8.8
396.30206	0.8
397.27359	0.4
439.15845	5.0
439.28571	100.0
440.28873	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	439.2851
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
55.01871	1.2
59.01355	0.3
61.98816	0.3
69.16236	0.2
69.25261	0.5
69.25671	1.1
73.58804	0.2
75.00903	0.3
75.68748	0.2
79.65055	0.2
81.03448	4.3
95.05017	0.4
96.95975	0.3
105.07112	1.7
122.03729	8.6
123.04534	0.5
123.55435	0.3
135.04538	2.3
136.05292	4.7
137.02477	0.5
137.05061	0.5
137.06084	6.7
149.06073	10.7
150.06732	0.8
151.00281	0.3
151.07640	0.5
159.21762	0.3
160.84114	0.3
163.07619	1.1
163.78180	0.3
175.07625	0.6
177.09244	0.4
192.95906	0.4
202.43411	0.3
205.12263	0.4
219.13914	0.6
219.17589	0.6
273.18600	0.3
275.20105	0.3
287.20139	1.1
289.21725	1.6
303.51440	0.3
319.15179	0.3
355.26794	0.4
369.27908	1.1
379.17477	1.0
379.26584	0.5
383.25845	0.6
395.29501	4.0
397.27539	1.2
439.28500	100.0
440.28827	10.8
440.35004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2851
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
58.78713	0.7
61.98813	1.9
70.08854	0.6
70.09169	1.3
78.71273	0.7
80.44933	0.6
81.03439	1.2
96.95998	1.8
105.07102	2.7
122.03733	4.0
135.04526	1.8
136.05292	14.0
137.06075	2.4
148.05331	2.0
149.06073	19.3
150.06770	1.0
151.07742	1.0
162.89297	2.1
163.07651	7.2
183.13776	0.7
185.35510	0.6
205.12253	1.3
217.12279	1.2
231.13914	1.0
245.15570	0.7
259.17014	1.2
260.17770	1.0
260.61749	0.7
273.18686	1.3
275.20087	0.6
303.19769	1.1
308.96780	0.6
409.23862	2.7
439.06219	1.4
439.28497	100.0
440.28674	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	439.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04729	23.9
61.98820	30.3
65.58243	28.1
68.92963	27.4
69.72538	57.3
69.72932	57.9
87.30872	23.7
96.95998	68.6
97.18548	25.0
98.21804	36.3
114.11378	24.7
123.04538	74.9
137.06079	74.6
208.52588	31.7
216.52806	31.6
230.76625	32.3
321.20715	59.0
359.25748	50.0
401.26611	100.0
404.12802	56.5
420.94293	27.0
439.16040	82.3
439.21112	59.1
439.28558	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	440.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19734	2.4
53.12230	2.9
59.01365	4.7
61.98811	4.2
67.93076	3.0
74.41786	2.4
80.05011	3.9
84.04546	3.2
93.03431	3.0
96.04519	4.8
98.22590	7.8
99.01759	2.7
108.04572	19.0
122.03703	4.6
123.00861	6.7
124.00363	7.5
136.01654	3.9
140.07121	4.4
191.14470	3.4
207.05298	4.7
207.84731	2.7
211.13345	3.8
212.94014	3.0
235.13379	11.7
248.20042	8.1
249.18535	15.8
250.14565	3.3
252.16025	4.3
267.06488	2.6
276.19656	100.0
277.20032	8.1
278.17551	4.3
292.19080	4.6
308.22156	12.2
320.15063	3.8
320.18649	57.1
321.18826	3.1
334.20016	6.7
364.17606	44.0
405.27057	4.0
408.16635	4.5
430.87823	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	440.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88602	11.6
58.93029	10.1
59.01379	100.0
59.36074	9.6
60.17976	10.0
61.98837	15.5
68.63228	11.3
69.34412	51.0
71.01398	13.5
72.94215	10.4
77.49730	11.7
95.10184	9.8
98.21778	17.5
103.58728	9.9
116.59385	10.1
122.03723	22.3
125.02418	19.7
154.85887	10.3
178.09967	20.9
186.62123	12.5
193.12326	73.6
208.60808	10.3
217.00233	13.7
399.23795	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	440.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05252	2.1
51.34711	2.2
61.98828	100.0
69.18206	2.0
69.49538	10.6
70.17043	2.0
71.41418	2.3
71.86430	2.1
81.08981	2.4
119.72530	2.0
194.95363	2.1
197.12526	2.2
223.97264	2.4
264.56598	2.3
307.49979	2.1
348.19229	7.1
403.12054	3.4
404.12433	9.2
405.22626	6.1
440.15973	3.4
441.26483	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	440.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23353	1.2
61.98830	100.0
69.24602	2.6
69.25013	3.0
69.33293	0.9
71.86953	1.0
78.90644	1.2
96.96021	2.1
98.21948	2.0
101.37624	1.3
108.02185	1.1
121.39204	1.0
124.01658	2.3
158.86644	1.0
162.83888	5.3
163.33926	1.0
182.11438	1.3
226.78816	1.1
333.20486	1.6
378.13712	1.6
404.11536	2.9
440.25519	1.1
441.25998	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	440.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
68.03323	2.1
70.99485	2.3
79.32388	1.9
125.02448	6.4
137.02414	3.4
154.33740	2.1
355.04291	3.2
359.25800	3.0
397.31149	2.2
440.25314	5.1
441.22168	3.1
441.30045	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	440.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66757	8.4
59.01379	100.0
61.77245	8.9
69.38677	32.3
71.01364	14.6
98.57950	9.4
101.02428	15.4
101.96574	11.0
121.53432	8.6
196.87849	10.2
292.77661	10.6
305.34406	9.7
397.22333	28.4
441.99707	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	440.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78035	7.7
50.93273	7.6
51.16925	8.2
57.03448	13.1
59.01379	91.2
61.09351	8.6
69.23984	41.0
71.01389	46.2
73.02957	20.3
83.01398	13.5
85.02950	15.9
89.02464	13.1
96.96001	11.0
97.61768	7.2
101.02453	30.7
109.02975	10.1
113.02448	23.0
124.01672	20.4
125.02448	100.0
126.02788	25.9
137.02443	16.0
161.02464	20.7
161.04547	30.4
162.02777	11.7
166.08145	27.0
166.58351	8.1
193.53133	8.0
256.61444	13.6
271.06430	9.9
315.16028	13.4
333.17017	99.3
334.17520	53.6
335.17755	10.7
337.64145	8.1
349.16443	22.6
350.17087	17.2
358.64554	9.7
371.98239	9.0
397.22113	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	440.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.8
59.01380	100.0
60.01715	8.9
60.08033	6.0
60.62416	6.1
61.98832	13.2
71.01382	20.5
73.02948	10.4
85.02949	6.3
87.84433	6.2
97.02972	7.1
101.02419	12.4
106.60794	6.7
108.02145	7.5
109.02979	11.6
123.04556	8.5
125.02452	94.7
126.02773	29.2
126.53442	6.0
137.02435	31.9
138.02806	6.9
139.97334	6.8
145.02977	19.7
146.03285	9.0
149.02443	24.2
159.04422	6.9
167.03476	10.5
168.03906	7.4
187.03926	7.5
203.07086	9.0
222.54930	6.9
227.07076	7.9
237.14967	67.6
253.04828	7.7
271.06076	20.8
272.06555	40.4
289.07275	36.0
290.07541	53.6
327.09833	6.9
381.19122	68.3
399.20233	65.7
441.21497	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	440.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01700	5.7
60.04461	1.8
61.98819	2.5
67.60258	2.0
69.36966	11.0
71.01369	9.9
73.02948	6.8
78.64273	2.1
84.20717	2.1
85.02957	3.2
89.02451	3.1
94.67516	2.0
98.22652	2.7
101.02442	6.8
109.02922	2.2
113.02510	4.2
119.23438	2.1
123.14314	2.1
125.02429	5.4
133.15147	2.2
133.68707	2.3
153.01889	4.6
161.04533	3.8
169.01437	2.7
219.13904	3.7
397.22183	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	441.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.0
78.32858	0.4
81.03449	2.0
83.01385	2.8
95.05004	0.8
105.03458	3.2
108.02167	1.7
109.02948	65.0
110.03275	1.5
111.04488	0.6
123.00858	0.8
125.02440	67.2
125.16100	0.5
126.02783	1.6
126.52837	0.4
133.02972	1.2
137.02467	3.6
139.04010	1.5
153.01932	100.0
153.78658	0.4
154.02248	2.4
161.02438	29.1
162.02866	0.7
164.01129	0.5
165.01953	2.3
167.03520	2.7
175.03909	0.7
177.05516	2.1
179.03510	1.9
192.95287	0.4
201.05486	1.3
214.17657	0.4
219.06607	2.0
221.04591	0.9
241.10501	0.5
243.06587	0.7
259.06174	0.5
261.07574	0.6
269.04517	1.5
287.05560	3.9
305.06665	9.7
441.08191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52793	0.4
57.03445	11.0
58.03789	0.5
64.81175	0.4
69.23100	1.7
77.66026	0.4
81.03455	1.8
83.01385	3.4
83.08023	0.4
88.49165	0.4
94.95875	0.4
95.05024	1.3
105.03455	4.5
108.02155	1.3
109.02947	47.9
110.03305	1.2
110.04820	0.4
111.04484	0.9
118.54650	0.5
121.02981	0.4
123.00927	0.5
125.02441	100.0
126.02772	2.2
131.87378	0.4
132.94029	0.4
133.02989	1.1
137.02441	4.7
139.04047	1.3
149.02461	0.6
153.01933	81.6
154.02264	2.3
161.02438	41.9
162.02844	1.7
164.01233	0.5
165.01932	3.9
167.03503	1.7
175.03989	1.2
177.01918	0.7
177.05598	3.7
179.03514	1.6
189.05554	0.8
191.03488	0.6
199.03955	0.5
201.05542	2.0
213.05588	0.7
219.06609	1.9
225.05540	1.0
227.03539	0.7
229.01486	0.7
243.06569	1.6
257.90787	0.4
261.07693	0.5
269.04477	3.6
275.05573	1.8
287.05594	11.2
303.05389	0.6
305.06656	7.5
441.08432	2.1
460.26486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0825
Annotation	(+)-Catechin 3-Gallate
Peak:m/z	Relative Intensity
57.03449	5.9
59.01368	1.3
69.03442	1.4
69.89127	1.1
69.89491	1.0
79.01882	0.6
81.03466	2.2
83.01388	2.8
88.37761	0.5
95.05033	1.0
97.02938	2.6
101.02493	0.6
105.03442	1.4
107.01377	1.7
108.02139	0.9
109.02954	34.3
110.03339	0.7
111.00882	0.9
118.53645	0.5
121.02970	1.7
123.00873	1.3
123.04523	4.8
124.01661	6.2
125.02445	88.1
126.02781	1.8
133.02914	0.6
137.02434	9.7
139.04004	1.1
145.02956	1.8
149.02448	2.3
151.04036	4.8
153.01933	42.3
154.02283	1.0
159.04512	2.1
160.05312	0.8
161.02438	11.3
161.06073	2.3
162.03079	0.8
164.01083	0.9
165.01942	3.1
166.02667	0.7
166.99789	1.0
167.03505	1.5
168.00584	1.2
169.01421	100.0
170.01791	2.4
175.03969	1.0
177.05583	1.3
179.03494	2.7
185.06020	0.9
187.03981	2.3
188.04709	1.4
191.07080	0.6
193.01399	4.4
193.20531	0.5
201.05579	0.9
202.06325	0.9
203.07141	4.4
205.05066	2.6
219.06628	0.9
221.08022	1.1
227.07097	1.3
245.08192	6.6
247.06180	0.6
253.05080	1.4
259.06021	1.5
271.06116	4.5
287.05493	2.6
289.07169	34.3
290.07474	2.2
301.44067	0.6
303.05029	1.7
305.06696	4.0
331.04584	1.9
386.03888	0.7
397.09271	0.8
441.08282	8.0
441.17563	1.1
441.27286	0.6
442.08636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.0
59.01380	2.0
63.39775	0.4
70.50070	0.4
70.50393	0.5
71.01350	0.6
77.03979	0.5
81.03461	1.4
82.95424	2.6
83.01389	2.2
89.43132	0.4
95.05012	0.5
101.02440	0.4
105.03449	3.9
109.02953	8.7
113.02465	0.5
116.92858	0.4
117.05576	10.6
121.03027	0.5
125.02442	100.0
126.02784	1.4
137.02420	3.1
149.02386	0.7
152.76422	0.4
153.01930	14.7
161.02441	42.1
162.02843	2.0
165.01938	1.0
167.03456	0.8
173.06079	0.5
175.03973	1.4
177.01942	0.9
177.05550	3.2
179.03506	0.6
179.07625	0.4
183.04567	0.5
201.05553	1.7
203.03557	0.6
219.06529	1.3
222.30806	0.5
225.05594	0.7
227.03487	0.7
229.01518	0.7
243.06502	1.3
269.04517	5.5
287.05603	25.4
288.05865	1.2
305.06677	3.1
316.47977	0.5
381.17694	0.5
393.59088	0.5
405.12030	0.5
441.09500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36931	0.8
57.03436	0.7
59.01377	100.0
60.01721	1.4
61.01821	0.7
61.98822	0.9
69.03460	1.7
69.68298	2.4
71.01382	12.2
71.01772	0.8
72.99290	0.6
73.02944	16.7
79.01910	0.8
83.01379	3.7
85.02951	2.9
87.00900	1.3
89.02444	4.3
89.71293	0.7
92.50292	0.7
93.03494	0.8
95.01411	0.7
95.35835	0.6
97.02959	1.6
98.21884	0.8
99.00890	2.3
101.02445	12.0
107.01405	2.3
108.00392	2.2
108.02187	0.9
109.02982	0.9
110.99162	0.7
111.00896	0.8
112.98771	1.6
113.02449	3.9
119.03527	1.6
120.99638	3.7
125.02436	3.5
129.01984	0.9
132.04420	0.7
135.00885	0.9
151.00374	2.0
151.99362	2.3
152.01158	0.8
153.01955	3.3
158.87515	0.7
161.02467	0.8
161.04561	1.9
169.01372	1.6
175.14925	1.3
194.95509	0.8
218.27515	0.7
218.71342	0.7
219.13924	2.8
234.16060	0.8
237.14932	1.0
242.05899	2.3
242.57208	0.7
243.04730	6.3
253.15053	0.7
293.75256	0.7
314.51370	0.8
381.19226	2.6
399.19873	6.2
405.11703	5.1
441.21301	25.7
442.21613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93400	0.8
55.01878	2.7
57.03450	4.0
59.01379	68.8
60.01724	2.4
60.14382	0.8
61.98843	0.9
69.03465	5.8
69.25397	3.4
71.01382	17.7
71.05027	1.2
71.57054	0.8
72.99319	1.0
73.02950	6.1
79.01909	0.9
79.95750	1.7
83.01379	5.2
85.02947	9.9
86.00118	1.3
87.00869	2.0
89.02457	2.8
93.03485	1.3
95.01377	2.4
95.05028	2.7
97.02962	5.7
99.00906	1.8
101.02444	9.4
101.21484	1.0
107.01408	5.2
108.02161	2.8
109.02965	5.8
110.03732	1.0
111.00889	2.3
112.01669	2.5
113.02483	7.4
121.02953	2.6
123.00868	1.7
123.04550	1.7
124.01667	22.1
125.02448	16.4
134.03754	2.7
136.05292	0.8
137.02435	7.4
138.03224	8.8
141.01907	1.2
143.03502	1.2
149.02368	1.1
151.00351	5.3
151.03989	3.2
153.01967	6.8
153.31929	0.8
154.17107	1.0
161.02444	1.6
161.04430	1.1
165.01891	1.0
165.12883	1.1
169.01411	4.4
177.01936	1.3
179.14415	1.5
189.12878	1.5
193.01451	1.3
199.11359	1.1
207.13945	1.7
217.12408	6.8
219.13837	2.1
233.11760	4.5
234.12593	7.1
235.13399	82.5
236.13762	2.6
237.14963	100.0
238.15327	3.6
242.05830	6.9
243.06647	5.4
243.10222	1.1
249.14949	2.7
261.11328	16.3
278.11731	1.6
279.12384	62.2
279.15570	2.6
280.12759	3.0
289.07220	2.7
291.07681	2.7
297.06082	1.5
303.12473	1.6
355.06470	1.0
381.19196	86.6
382.19626	5.6
399.20215	82.5
400.20493	2.6
405.11899	10.9
434.91959	1.0
441.16766	45.3
441.22217	9.4
442.17526	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	441.1399
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
57.03436	6.8
59.01369	3.6
61.08954	1.1
61.98822	9.7
65.20634	1.1
66.21883	1.3
69.03446	2.2
69.43592	4.7
71.01376	2.5
73.02948	1.1
78.62517	0.9
80.43830	1.0
81.03445	2.3
83.01373	2.8
83.05030	2.0
92.09988	1.2
93.03442	5.6
95.01375	7.3
95.05015	7.5
96.95990	2.8
97.02930	9.7
101.02390	1.5
108.02168	1.6
109.02312	1.7
109.02954	17.6
111.04510	15.8
111.08137	1.7
113.02458	1.9
115.05563	1.4
121.02953	10.9
123.00877	17.2
123.04504	1.7
124.01678	7.8
125.02444	38.1
133.02931	1.4
133.06638	6.4
137.02443	12.9
137.06052	4.8
138.03226	7.1
139.04005	45.3
140.04335	1.4
147.08087	3.1
149.06076	1.3
149.09662	1.9
151.03990	1.7
152.01164	1.5
153.01917	16.2
157.06563	1.7
159.04558	7.5
160.05167	1.0
161.02414	11.3
162.03168	1.7
163.03972	2.7
165.01952	8.5
167.03497	1.8
169.01346	1.5
173.06017	1.1
175.03947	2.5
175.07590	4.4
176.04750	3.8
177.01883	3.7
177.05573	1.4
180.04208	1.4
181.05028	2.5
189.05429	1.8
189.09129	1.8
193.08713	2.0
197.14253	1.3
199.07640	6.7
201.05437	1.4
207.06407	1.7
215.07118	1.5
217.08682	55.4
218.09077	2.9
234.08881	2.9
235.09735	38.3
235.11801	1.3
235.73743	1.0
236.09979	1.5
243.06567	1.2
258.29755	1.0
261.07596	14.5
278.08255	1.3
279.08722	100.0
279.12000	3.2
280.08994	4.7
287.05688	2.5
301.09183	1.6
305.06497	3.0
361.58905	1.1
381.17465	2.9
382.82556	1.1
420.85431	1.3
423.07376	3.3
441.13873	48.6
442.14175	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54388	0.2
59.01123	1.4
59.01453	11.8
60.12849	0.2
69.17637	1.2
71.01464	2.8
73.03028	1.9
83.01463	0.6
85.02961	1.5
87.00441	0.2
87.00937	0.5
89.02532	0.6
91.99885	0.3
97.03035	0.3
98.22600	0.6
99.00916	0.3
101.02457	2.6
108.02213	0.4
109.03020	0.5
113.02534	1.0
119.03577	0.3
124.01751	0.4
125.02527	1.0
130.91522	0.2
135.04578	0.4
136.05292	3.8
137.02469	0.2
143.03566	0.3
148.05399	0.3
149.06056	1.9
151.07651	0.6
153.02011	0.9
161.04588	0.5
161.09692	2.4
163.07719	0.7
163.11362	0.4
167.08992	0.2
167.59187	0.3
178.09982	2.4
189.05664	0.4
193.12367	0.9
203.07272	0.3
204.07906	3.8
205.08676	2.7
219.10252	15.1
220.10587	0.4
237.11308	100.0
237.14737	6.8
238.11632	4.6
279.12534	0.3
284.26358	0.3
335.18628	1.4
335.48203	0.2
336.18790	0.8
349.19806	0.3
351.17856	0.3
381.15048	1.8
381.18939	5.4
399.15994	2.3
399.20673	5.9
400.20630	0.3
432.82596	0.2
441.17157	14.2
442.17371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
57.03439	2.3
59.01378	45.3
59.30485	0.8
60.88778	1.0
61.98822	1.7
69.03455	5.7
70.01287	2.4
71.01384	12.8
72.26859	1.0
72.99331	1.0
73.02943	4.6
74.27281	0.8
76.81429	0.9
79.01886	1.8
79.95734	1.3
81.03497	1.4
83.01395	3.8
85.02962	5.8
86.00122	1.2
87.00871	1.4
89.02445	2.6
94.40757	0.8
95.01381	1.7
95.05032	0.9
97.02932	4.9
99.00874	2.6
101.02449	8.2
106.04150	0.9
107.01384	4.3
107.67448	0.8
108.02173	2.7
109.02962	6.4
111.00867	1.4
112.01604	1.2
113.02448	4.6
121.02940	3.1
122.03683	1.1
123.00874	2.0
123.04516	1.8
124.01667	29.3
125.02457	16.0
127.28466	1.0
134.03758	3.1
137.02452	10.3
138.03258	9.7
143.03491	1.5
150.03238	1.2
151.00351	5.3
151.03998	3.0
152.01196	1.6
153.01926	7.1
161.02393	0.9
161.04579	1.2
165.12924	1.0
167.03687	0.9
169.01402	3.5
189.12880	1.5
193.12251	1.7
199.11308	1.2
207.13904	2.4
213.12616	0.9
215.10687	0.9
217.12308	8.3
219.13911	2.5
233.11813	4.5
234.12627	11.5
235.13385	100.0
236.13722	3.6
237.14949	70.8
238.15309	3.2
242.05820	6.2
243.06664	6.6
243.10222	3.3
249.14920	2.2
251.67229	0.9
261.11313	18.1
261.14523	1.3
261.14960	1.1
276.47452	1.0
278.11551	1.5
279.12372	64.5
279.15500	2.8
280.12708	3.1
286.22760	0.9
289.07162	1.6
290.07428	1.2
291.07709	1.9
297.06107	3.0
303.12457	2.1
307.15491	1.9
381.19205	57.3
382.19363	3.4
399.20200	56.0
400.20410	3.3
405.11957	8.8
417.75772	0.9
441.17105	49.2
442.17404	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	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
57.03439	2.3
59.01378	45.3
59.30485	0.8
60.88778	1.0
61.98822	1.7
69.03455	5.7
70.01287	2.4
71.01384	12.8
72.26859	1.0
72.99331	1.0
73.02943	4.6
74.27281	0.8
76.81429	0.9
79.01886	1.8
79.95734	1.3
81.03497	1.4
83.01395	3.8
85.02962	5.8
86.00122	1.2
87.00871	1.4
89.02445	2.6
94.40757	0.8
95.01381	1.7
95.05032	0.9
97.02932	4.9
99.00874	2.6
101.02449	8.2
106.04150	0.9
107.01384	4.3
107.67448	0.8
108.02173	2.7
109.02962	6.4
111.00867	1.4
112.01604	1.2
113.02448	4.6
121.02940	3.1
122.03683	1.1
123.00874	2.0
123.04516	1.8
124.01667	29.3
125.02457	16.0
127.28466	1.0
134.03758	3.1
137.02452	10.3
138.03258	9.7
143.03491	1.5
150.03238	1.2
151.00351	5.3
151.03998	3.0
152.01196	1.6
153.01926	7.1
161.02393	0.9
161.04579	1.2
165.12924	1.0
167.03687	0.9
169.01402	3.5
189.12880	1.5
193.12251	1.7
199.11308	1.2
207.13904	2.4
213.12616	0.9
215.10687	0.9
217.12308	8.3
219.13911	2.5
233.11813	4.5
234.12627	11.5
235.13385	100.0
236.13722	3.6
237.14949	70.8
238.15309	3.2
242.05820	6.2
243.06664	6.6
243.10222	3.3
249.14920	2.2
251.67229	0.9
261.11313	18.1
261.14523	1.3
261.14960	1.1
276.47452	1.0
278.11551	1.5
279.12372	64.5
279.15500	2.8
280.12708	3.1
286.22760	0.9
289.07162	1.6
290.07428	1.2
291.07709	1.9
297.06107	3.0
303.12457	2.1
307.15491	1.9
381.19205	57.3
382.19363	3.4
399.20200	56.0
400.20410	3.3
405.11957	8.8
417.75772	0.9
441.17105	49.2
442.17404	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54388	0.2
59.01123	1.4
59.01453	11.8
60.12849	0.2
69.17637	1.2
71.01464	2.8
73.03028	1.9
83.01463	0.6
85.02961	1.5
87.00441	0.2
87.00937	0.5
89.02532	0.6
91.99885	0.3
97.03035	0.3
98.22600	0.6
99.00916	0.3
101.02457	2.6
108.02213	0.4
109.03020	0.5
113.02534	1.0
119.03577	0.3
124.01751	0.4
125.02527	1.0
130.91522	0.2
135.04578	0.4
136.05292	3.8
137.02469	0.2
143.03566	0.3
148.05399	0.3
149.06056	1.9
151.07651	0.6
153.02011	0.9
161.04588	0.5
161.09692	2.4
163.07719	0.7
163.11362	0.4
167.08992	0.2
167.59187	0.3
178.09982	2.4
189.05664	0.4
193.12367	0.9
203.07272	0.3
204.07906	3.8
205.08676	2.7
219.10252	15.1
220.10587	0.4
237.11308	100.0
237.14737	6.8
238.11632	4.6
279.12534	0.3
284.26358	0.3
335.18628	1.4
335.48203	0.2
336.18790	0.8
349.19806	0.3
351.17856	0.3
381.15048	1.8
381.18939	5.4
399.15994	2.3
399.20673	5.9
400.20630	0.3
432.82596	0.2
441.17157	14.2
442.17371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22544	0.9
55.01874	2.3
57.03447	13.1
59.01378	85.0
60.01696	1.1
61.20333	0.9
69.37332	5.3
71.01381	46.4
72.01729	1.2
72.99290	1.4
73.02950	6.2
73.05313	1.0
79.85452	0.8
81.03415	1.3
81.44098	0.9
83.01373	7.0
85.02950	13.4
87.00866	1.8
89.02444	38.2
93.13995	0.9
95.01375	3.0
95.05064	2.3
97.02948	1.5
99.00861	1.6
101.02437	30.9
105.03442	2.7
108.02155	1.1
109.02951	34.5
113.02445	17.0
115.85843	1.0
117.05592	6.0
119.03502	19.1
119.04991	1.8
121.06561	1.2
122.03767	1.0
123.04512	1.4
125.02448	100.0
125.09692	1.9
126.02749	2.1
131.03517	1.9
133.02998	1.1
133.06549	1.2
135.08171	2.0
136.58450	0.9
137.02435	4.0
137.06081	1.5
139.03951	1.5
139.07651	3.5
143.03476	3.4
149.02441	1.8
149.04523	2.8
149.06082	2.7
153.01932	38.2
161.02440	37.5
161.04414	5.0
162.03035	1.1
163.03992	2.3
167.03517	1.2
169.08678	3.4
175.03996	1.5
176.37170	1.0
177.01920	1.8
177.05542	2.0
179.03548	1.2
179.05556	3.7
187.11293	2.2
193.01474	4.6
201.05580	1.8
202.10083	2.2
204.11447	1.6
205.12312	7.9
209.62749	1.2
217.12361	8.5
218.12711	1.2
219.06583	2.1
229.01367	1.5
235.13403	7.0
243.06656	1.2
249.13440	9.6
261.11328	9.1
262.11505	1.0
269.04547	3.5
279.12451	4.9
287.05600	19.9
305.06580	3.6
330.13058	2.5
331.13922	2.1
379.17596	1.8
381.17603	27.3
382.17807	2.5
388.86917	1.0
397.18628	16.3
411.78290	1.0
430.66995	1.1
433.69778	1.0
441.17590	44.3
442.17886	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	50.0
62.59650	13.8
69.38428	54.0
79.96572	16.1
95.01379	16.7
96.96030	25.4
161.50777	17.5
192.00639	59.9
262.96597	25.7
305.94495	34.9
391.61975	18.5
401.54797	16.6
427.64838	16.1
437.54916	17.6
441.01398	100.0
441.19012	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94816	3.7
57.74437	3.4
59.01373	20.4
61.98813	9.2
62.00106	3.4
62.01038	3.5
68.99563	8.3
69.41328	7.1
69.41720	8.7
71.01374	9.6
72.99295	9.2
73.34806	3.5
80.78210	3.6
82.95444	7.7
89.02447	4.7
97.02300	3.8
98.22637	8.3
101.02409	4.8
109.02927	4.1
112.98546	7.4
121.79635	4.2
125.02441	14.5
137.02461	12.5
163.04053	3.9
172.96756	5.9
177.01894	8.8
192.00601	18.9
197.04468	8.2
223.54733	4.2
232.29855	4.1
234.01736	5.7
256.38736	4.1
262.96423	9.5
305.94727	10.3
320.97174	4.8
336.96582	4.3
381.21167	9.3
441.01346	43.3
441.18945	100.0
442.19336	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	441.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.2
59.01380	8.9
61.98815	5.0
64.51273	3.0
71.45107	4.1
71.83710	2.8
82.95406	29.8
83.01372	5.9
89.02437	4.4
94.29263	3.4
96.96015	6.8
101.02400	4.7
109.02974	7.3
113.06004	3.1
121.02995	3.7
123.04539	4.5
125.02444	50.2
126.02752	4.9
137.02426	26.0
139.04001	5.7
151.03975	8.0
167.03561	6.1
169.01428	6.7
175.04007	6.4
177.01947	27.1
177.05510	10.0
178.06371	4.3
193.08640	7.8
221.04324	3.6
223.09721	3.6
235.06311	3.8
236.06947	3.7
243.02960	6.5
255.02972	12.8
273.04050	4.6
278.99554	12.6
279.08762	5.2
297.00787	6.9
423.07184	31.4
424.07468	4.5
441.04645	7.7
441.18921	100.0
442.19199	6.6
463.00085	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	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49284	0.8
54.03949	1.0
54.34625	0.8
55.01862	1.8
57.03448	15.2
59.01382	15.0
66.67101	0.9
69.03431	0.8
69.36943	4.1
71.01006	1.3
71.01376	15.3
73.02942	10.9
73.63700	0.8
81.03454	1.7
83.01373	5.8
84.95122	2.7
85.02954	9.7
86.21802	0.9
86.36392	1.0
87.00877	2.0
89.02448	3.5
95.05022	2.0
99.00873	4.0
101.02448	22.9
105.03455	2.6
109.02951	30.9
111.26460	0.9
113.02424	7.7
116.92870	2.2
117.05563	2.3
123.00878	0.9
125.02445	100.0
126.02803	1.2
133.02966	1.7
137.02440	5.7
139.03981	1.8
149.02475	1.2
153.01933	43.4
161.02443	45.0
161.04466	7.1
165.01888	2.3
175.03983	1.3
177.01918	0.9
177.05528	2.7
219.06598	1.5
249.13409	27.8
269.04489	5.0
275.05612	1.6
287.05627	12.1
295.84030	0.9
305.06644	4.3
305.45325	0.9
381.17648	94.2
382.17914	6.5
419.04987	1.0
441.08362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
57.03436	3.6
59.01377	69.8
61.98827	39.0
69.23452	2.9
69.23860	3.3
70.68647	1.1
71.01383	27.0
73.02946	18.2
83.01383	9.6
85.02949	18.5
87.00880	1.3
89.02436	6.2
95.01414	1.2
99.00874	4.9
100.10209	1.2
101.02443	43.7
106.86106	1.0
109.02938	2.9
113.02441	13.1
125.02434	8.0
132.08929	1.3
136.87396	1.2
137.02483	1.6
143.03494	1.5
151.03844	1.1
153.01947	2.9
159.02988	2.4
161.02441	2.4
161.04564	11.0
175.03473	1.2
199.09657	1.5
214.79456	1.2
235.11865	73.8
236.12273	2.6
253.38412	1.3
344.03442	1.5
379.16028	4.9
381.17648	100.0
382.18002	7.1
441.18359	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	441.2028
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
56.19110	1.2
65.99847	1.8
68.76818	1.0
70.70410	1.9
96.96008	1.2
101.06071	3.8
132.24380	0.9
160.96716	1.0
176.06937	1.0
191.53734	1.0
196.11288	1.4
254.15472	12.2
255.15706	1.6
278.11810	3.1
280.16922	1.4
294.14972	8.1
306.18597	1.2
333.17383	3.6
348.19632	6.0
350.17563	1.8
364.62451	1.4
381.20511	1.4
384.13165	5.0
424.39468	1.0
441.20276	100.0
441.30215	3.5
442.20496	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	441.213
Annotation	Jatamanvaltrate H
Peak:m/z	Relative Intensity
55.01876	3.3
57.03433	1.7
59.01378	89.5
59.01833	2.2
60.01696	1.1
68.99823	1.0
69.03438	1.4
71.01380	13.4
71.04999	1.3
72.99303	1.0
73.02945	4.9
77.11039	0.7
83.01363	4.0
85.02941	8.4
86.00082	2.7
87.00851	2.1
87.69278	0.7
89.02441	1.7
91.01855	0.9
95.01370	1.6
95.05042	1.0
96.95989	0.7
97.02919	1.4
99.00865	2.7
101.02436	7.9
102.83955	0.8
109.02932	3.1
111.00858	2.7
113.02467	4.7
120.99615	1.2
123.04486	0.9
124.01619	1.9
125.02448	6.7
135.00935	4.3
137.02504	0.9
137.06078	1.2
143.03471	1.3
153.01944	5.3
159.02950	1.2
161.04572	0.8
163.85341	0.8
169.01404	2.3
209.31625	0.9
211.13423	1.5
212.13698	1.4
219.13838	2.9
237.14948	100.0
238.15300	4.7
243.06755	1.0
249.14841	2.7
261.14792	1.7
279.15912	2.7
285.71927	0.8
307.15536	3.1
373.79816	0.7
381.11908	1.1
381.19171	65.3
382.19434	4.6
399.20193	87.6
400.20517	6.5
405.11942	3.0
441.21292	42.0
442.21689	3.3
462.87067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
57.03437	3.1
59.01377	71.6
60.01701	1.9
61.01799	2.7
61.98848	1.4
62.91374	0.9
69.03464	2.5
69.51643	4.7
71.01376	18.0
71.05019	1.3
71.65676	1.0
72.99308	1.2
73.02953	7.6
73.98074	1.1
81.03455	1.2
83.01385	4.6
85.02933	9.5
86.00086	2.2
87.00875	3.0
89.02440	2.3
95.01372	1.9
95.05016	1.0
97.02941	3.0
99.00866	2.6
101.02435	10.3
109.02972	3.0
111.00898	3.4
112.65189	1.0
113.02453	5.9
123.00729	1.2
123.04556	1.1
124.01676	4.6
125.02449	10.2
126.02770	1.2
136.05283	1.2
137.02428	3.5
143.03502	1.7
149.02354	1.5
153.01889	2.3
160.15889	1.0
169.01393	2.5
172.96701	2.2
175.50900	1.1
177.14487	1.1
179.10855	1.3
183.92682	1.0
217.12224	1.4
219.13890	3.1
235.13374	17.0
237.14944	100.0
238.15327	5.4
242.05916	1.6
243.06538	1.2
249.14995	2.3
261.11395	3.9
261.14926	1.2
273.06729	1.4
279.12357	12.9
279.15970	2.9
283.07697	1.3
290.07544	2.1
291.07639	4.6
307.15302	2.7
309.13367	1.8
355.06134	3.5
381.19165	84.5
382.19623	6.1
399.20209	87.5
400.20358	8.2
441.16083	1.6
441.21841	25.3
442.21747	1.5
454.31635	1.3
468.51727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2279
Annotation	Cinobufagin
Peak:m/z	Relative Intensity
59.01371	0.8
65.03957	0.7
69.93250	0.8
69.93584	0.8
81.03458	0.6
92.44476	0.5
95.01397	1.0
96.02201	0.6
108.01450	1.0
108.02175	18.5
109.02967	3.9
111.04493	0.5
120.89704	0.7
121.02933	1.6
122.03750	4.7
123.00861	3.3
123.04509	0.5
124.01663	30.5
125.02435	1.1
134.03722	3.4
135.04518	2.0
137.02420	2.3
138.03204	1.5
139.04012	1.2
143.23753	0.5
149.02470	0.8
149.06079	0.5
150.03227	3.1
151.03963	1.3
153.01927	0.6
160.05235	0.7
163.03989	2.2
164.04753	1.8
166.02711	1.0
167.03513	1.3
177.05597	0.7
179.03564	1.3
180.04305	1.1
188.04727	0.5
233.11855	0.9
235.09770	1.1
287.07932	0.5
305.13815	0.9
315.19614	1.1
315.23117	0.5
319.15439	1.1
327.23209	0.8
329.21127	0.9
343.22733	1.6
347.18741	2.1
348.19394	21.8
349.19653	0.8
353.20993	0.8
355.22684	2.0
363.19534	1.0
369.24548	2.5
371.22220	5.3
379.22675	0.9
381.20697	7.4
382.21100	0.9
390.20560	2.5
395.22324	1.7
397.23810	2.3
399.21606	2.2
403.11942	3.6
405.12476	0.6
405.22910	11.0
406.23254	0.7
413.23306	3.5
423.16470	0.9
423.21774	14.1
424.22205	1.6
441.22766	100.0
442.23141	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	441.241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.4
68.36266	0.3
69.62299	1.2
78.91882	2.3
79.36642	0.4
91.20849	0.3
96.95959	0.6
104.02855	0.3
125.02433	1.0
136.01631	0.4
152.01181	0.6
153.01915	6.9
154.02716	1.3
162.35417	0.3
167.03450	1.1
167.83806	0.3
177.05582	0.7
187.03938	1.2
201.01910	0.9
207.84430	0.3
214.02678	1.2
215.03520	4.1
216.04128	0.5
229.05051	0.7
248.84621	0.3
305.17462	0.7
319.22452	0.5
321.20566	1.8
327.16055	1.1
328.16730	1.1
333.20685	1.2
347.17929	0.4
347.22250	16.0
348.23016	100.0
349.23370	6.9
390.24109	6.8
391.24188	0.4
405.13263	1.1
405.26419	51.5
406.26794	4.3
440.29370	1.8
441.30084	34.1
442.30554	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	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.35475	0.3
55.01868	0.4
57.03436	0.6
57.34280	0.3
59.01377	100.0
60.01722	0.5
64.57365	0.3
70.21168	0.8
70.21524	0.5
71.01379	5.1
72.23596	0.3
73.02940	2.1
83.01399	1.0
85.02956	2.0
87.00867	0.4
89.02448	1.1
95.01381	0.8
97.03057	0.4
99.00877	0.4
101.02430	4.1
109.02952	0.3
113.02458	2.2
119.03503	0.4
125.02469	0.8
128.22604	0.3
131.32690	0.3
136.24904	0.3
138.59868	0.3
153.01949	0.7
161.04584	1.6
169.01451	0.8
217.00237	0.5
237.18571	0.7
381.22934	1.1
399.23813	3.9
441.23407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Dendronpholide M
Peak:m/z	Relative Intensity
55.01879	1.8
57.03455	1.7
59.01378	100.0
60.01702	0.8
61.98828	0.7
63.30928	0.3
69.03468	0.4
71.01381	16.5
72.99333	0.4
73.02945	8.2
74.63740	0.3
75.00878	1.2
77.13929	0.3
81.11906	0.3
83.01384	3.8
85.02950	10.8
87.00883	0.8
89.02451	1.4
95.01398	1.7
97.02932	0.4
99.00890	2.5
101.02446	20.6
109.02913	0.4
113.02441	7.4
116.06272	0.3
125.02435	1.3
143.03497	1.2
155.46382	0.3
159.02985	1.7
161.04539	6.8
162.03435	0.3
194.07463	0.3
211.79883	0.3
217.15993	0.9
219.17581	0.4
221.15421	0.4
235.16985	0.6
237.18536	0.7
261.18597	0.4
279.19669	0.5
297.20544	0.3
333.20920	0.5
381.22818	5.7
381.34604	0.3
382.23376	0.4
399.23849	39.2
400.24203	3.2
441.19522	0.4
441.24948	3.7
442.24893	0.4
467.96875	0.3
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
53.80789	0.2
55.01868	0.2
57.03441	0.3
59.01379	100.0
60.01706	0.7
61.98821	0.4
68.18790	0.1
71.01380	2.7
71.46648	0.1
73.02946	1.5
74.01723	0.1
82.22224	0.1
83.01391	0.6
85.02947	1.5
89.02447	0.5
95.01433	0.2
99.00912	0.5
101.02449	2.1
113.02445	1.4
116.40174	0.2
119.03532	0.3
125.02504	0.2
137.02495	0.3
159.68747	0.1
161.04564	1.2
178.83347	0.1
203.69093	0.1
222.84175	0.2
243.06584	0.2
297.73236	0.1
381.22995	0.4
399.23816	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	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
56.24951	0.3
59.01377	100.0
60.01698	0.8
61.06527	0.3
62.54393	0.3
68.61770	0.4
71.01385	4.8
73.02940	3.6
75.27067	0.3
82.17751	0.3
83.01403	1.0
85.02945	2.3
89.02451	2.7
94.03170	0.3
95.01392	0.4
101.02431	4.3
113.02441	2.6
119.03529	0.5
126.39513	0.3
143.03485	0.4
161.04544	2.1
179.05612	0.3
179.99446	0.3
199.58846	0.3
267.97900	0.4
302.90894	0.3
399.23837	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
57.03432	0.4
59.01378	100.0
60.01712	0.6
61.98834	0.4
66.24456	0.2
69.78411	0.8
71.01377	5.4
73.02943	2.5
74.02444	0.2
83.01394	0.6
85.02958	1.8
86.89621	0.2
87.00890	0.3
89.02448	2.4
95.01420	0.5
98.22537	0.3
99.00900	0.5
101.02447	3.2
109.03030	0.2
113.02433	2.1
119.03519	0.9
125.02483	0.8
131.03506	0.2
137.02563	0.3
143.03517	0.4
148.36383	0.2
153.01996	0.3
159.03004	0.4
159.43207	0.2
161.04568	1.4
169.01404	0.3
169.85320	0.3
173.84235	0.2
179.05710	0.3
195.07526	0.3
196.47144	0.2
207.25223	0.2
255.62163	0.2
312.23712	0.2
325.72275	0.2
399.23904	2.1
453.84161	0.2
468.27911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Dendronpholide M
Peak:m/z	Relative Intensity
55.01863	0.5
57.03450	0.5
58.85752	0.3
59.01377	100.0
59.28805	0.3
60.01710	1.3
61.01789	0.3
61.98833	0.3
69.21925	1.4
71.01378	6.1
73.02961	2.3
81.06184	0.2
83.01394	0.8
85.02943	3.1
86.64233	0.3
89.02460	0.9
95.01396	0.6
98.21842	0.4
99.00912	0.8
101.02439	3.3
109.02979	0.6
113.02443	2.6
120.99660	0.6
125.02466	1.0
125.26941	0.3
135.08073	0.3
137.02434	0.5
149.23004	0.3
150.78159	0.3
153.01979	0.7
153.90202	0.3
159.03069	0.5
159.68378	0.2
161.04543	2.4
213.53354	0.3
219.17537	0.6
220.11055	2.8
235.13460	0.7
237.18604	2.2
279.12308	1.4
381.22723	0.4
399.23801	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03442	1.6
59.01378	100.0
60.01713	1.2
60.47358	0.4
61.01820	0.4
61.98825	1.5
67.77634	0.3
69.03450	0.8
71.01377	10.5
71.05035	0.6
71.44471	0.5
72.99300	0.9
73.02953	4.1
83.01385	2.3
85.02949	5.5
86.00098	1.6
87.00872	1.0
89.02446	1.8
91.01907	2.2
95.01379	0.8
95.05021	0.6
96.95997	0.4
97.02957	1.6
99.00894	1.0
101.02442	5.9
109.02960	3.5
111.00883	1.2
112.01668	0.8
113.02459	2.9
121.16902	0.3
124.01628	1.0
125.02461	3.6
135.00885	7.6
135.11797	0.4
136.05301	0.4
137.02437	1.4
141.01953	0.6
143.03461	0.7
150.06822	0.5
151.07701	0.9
153.01938	7.1
161.04646	0.8
167.03535	0.5
169.01447	1.3
179.05586	0.4
179.10837	0.4
193.08739	0.6
211.13448	0.5
212.13698	0.8
219.13881	1.5
235.13365	0.6
237.14952	52.8
238.15253	2.8
243.06572	1.5
249.14963	1.6
258.79413	0.4
260.03314	0.4
261.15015	0.7
279.12616	0.5
279.16058	1.1
297.06140	1.9
307.15546	1.4
314.06119	0.4
318.93457	0.4
381.11945	0.5
381.19165	33.8
382.19547	2.7
399.20163	44.8
400.20508	3.8
405.11792	4.5
441.21375	23.0
442.21588	2.1
448.57715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77069	0.5
72.05755	0.5
74.11749	0.5
80.91676	10.1
81.03452	36.9
108.02197	0.7
112.40754	0.5
121.37533	0.6
122.03711	0.8
123.04518	97.1
124.04839	1.5
205.89819	0.6
275.20157	1.1
283.13248	0.6
303.19632	1.3
341.30756	0.6
346.21011	0.6
359.25879	100.0
360.26236	8.0
441.06952	0.8
441.13422	1.1
441.25858	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	441.2645
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
53.90616	0.3
55.01884	1.9
57.03433	0.4
59.01373	0.6
61.98799	0.4
69.86518	0.9
72.65691	0.3
75.74506	0.3
83.01379	0.5
93.03421	0.3
95.01375	0.4
95.05017	0.8
96.02171	1.0
97.02946	0.6
108.02173	19.6
109.02975	0.6
121.02950	1.5
122.03750	4.6
123.00896	1.6
123.04520	0.4
124.01659	37.3
125.02515	0.7
130.04227	0.8
134.03725	2.5
135.04466	0.7
136.01631	0.8
136.05304	2.2
137.02454	1.6
138.03214	1.0
146.03770	0.4
148.05280	0.5
149.02437	0.8
149.06102	2.1
150.03230	3.8
151.03889	0.5
158.59004	0.4
159.04468	0.6
160.05283	0.6
163.03978	0.4
163.07657	0.6
164.04774	1.8
172.74466	0.4
174.06900	0.3
177.09143	0.3
205.12372	0.4
219.13826	0.5
220.54631	0.3
233.15395	1.1
257.92090	0.3
287.88397	0.3
290.18695	0.6
299.20374	0.3
301.21634	0.3
313.21860	0.5
315.23270	0.8
339.23300	0.5
341.24789	0.4
343.26395	1.3
353.24771	0.6
355.26416	2.1
369.24039	0.5
369.28049	3.3
371.21478	0.5
371.25858	6.6
372.26224	0.6
379.26413	1.7
381.24323	0.5
385.27609	0.6
395.25946	1.6
397.27295	1.4
399.25357	1.0
403.12299	0.5
405.24182	1.0
413.26999	5.8
414.27310	0.4
423.19714	0.6
423.25394	12.1
424.25922	1.0
441.26398	100.0
442.26746	10.5
461.53290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2645
Annotation	Amentol
Peak:m/z	Relative Intensity
50.81603	0.4
61.98815	0.4
68.99741	0.4
69.46254	1.6
72.78165	0.4
81.03412	1.0
96.05643	0.4
105.06966	0.5
107.34345	0.3
108.02143	0.7
109.02935	0.5
110.03687	0.9
111.04482	0.6
122.03734	20.0
123.00848	0.8
123.04437	1.4
124.01590	1.5
125.02412	0.7
127.79068	0.4
135.04533	2.4
136.05301	8.0
137.02432	2.2
138.03223	39.2
139.03880	3.2
148.05310	2.9
149.02383	0.7
149.06068	3.6
150.03151	0.9
150.06743	0.4
151.07526	0.4
152.04749	0.7
162.83832	1.4
163.03885	0.9
164.04796	4.1
164.83571	0.7
174.06746	0.4
177.09065	1.1
178.06351	1.8
191.10748	0.5
219.13741	1.6
220.14621	2.4
221.15343	1.0
233.15222	0.5
261.14789	1.4
261.17511	0.5
299.20004	0.7
301.21542	1.2
315.23148	0.6
329.24634	0.7
339.23077	0.4
341.24573	1.3
341.28265	0.8
342.17853	0.7
343.26224	0.7
353.24429	0.6
357.24316	2.8
367.26291	0.4
369.28049	3.1
379.26068	1.2
381.24106	0.8
385.27255	0.7
395.25537	1.4
397.27145	0.9
405.23993	1.4
413.26962	8.9
414.27051	0.9
423.25363	10.1
426.24222	0.4
441.26077	100.0
442.20941	0.6
442.26544	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	441.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52088	10.1
96.96021	23.6
98.21978	6.0
151.07629	11.2
157.13647	4.5
181.15977	10.1
185.11787	7.5
200.43533	4.6
236.93950	4.2
251.23787	12.8
277.25385	19.3
324.40012	4.4
341.30591	60.1
369.30096	8.3
391.72214	4.1
397.29596	100.0
398.29779	7.6
441.29138	65.5
442.28806	6.0
448.56967	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	441.3007
Annotation	Atomaric acid
Peak:m/z	Relative Intensity
51.76377	0.2
55.01635	0.3
55.01874	4.2
69.74697	0.7
74.28679	0.3
82.06711	0.3
95.05009	1.8
99.91816	0.3
115.56070	0.3
124.51001	0.3
125.02460	0.5
136.05304	2.7
137.06024	0.5
149.06084	2.7
150.06566	0.3
163.07681	0.7
191.10793	0.5
205.12262	0.4
219.13963	0.4
230.25629	0.3
233.15402	0.7
247.17044	0.4
315.23318	0.5
319.63196	0.3
341.28400	0.8
357.27884	3.3
367.26379	0.8
385.27316	2.3
395.29388	1.0
397.31064	14.4
398.31339	0.8
399.29016	0.7
441.30048	100.0
442.30411	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	441.3008
Annotation	Atomaric acid
Peak:m/z	Relative Intensity
55.01869	1.8
68.54093	0.4
71.45687	0.7
80.29681	0.4
81.03438	1.0
95.05049	0.9
108.02126	0.6
109.02963	0.6
122.03744	1.6
123.00865	0.6
124.01650	0.8
125.02412	1.0
130.39085	0.5
135.04488	1.1
136.05289	1.5
145.81157	0.6
149.06091	1.7
159.34886	0.5
160.84204	5.7
161.84210	0.8
162.83902	11.4
177.09187	0.6
233.15425	0.7
241.91203	0.6
267.32999	0.4
279.16592	0.4
293.17560	0.6
329.24634	0.6
341.28625	0.8
355.04391	0.5
355.30118	1.2
357.27841	1.3
371.29553	4.0
381.27832	0.7
385.27496	0.9
395.29553	0.6
397.31122	12.3
398.31586	1.0
399.28909	3.1
441.30139	100.0
442.00562	0.5
442.30530	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	441.3009
Annotation	Atomaric acid
Peak:m/z	Relative Intensity
61.98828	2.2
63.49729	1.1
69.65366	4.5
81.03474	2.5
84.36740	1.0
108.02176	3.2
111.22115	1.2
122.03722	4.2
135.04495	3.1
137.02431	1.6
151.03946	1.4
154.74768	0.9
155.77454	1.1
160.84192	7.4
161.84341	1.2
162.83916	16.3
163.04054	2.5
173.67200	1.0
183.17863	1.2
185.60365	1.0
211.13953	1.0
241.73962	1.1
262.70792	1.1
355.30090	2.5
371.29712	8.4
372.29865	1.5
381.27985	3.8
397.31229	12.7
398.31473	1.9
399.29211	7.1
405.02756	2.1
406.02136	1.3
441.30804	100.0
442.31161	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	441.3009
Annotation	Triptocalline A
Peak:m/z	Relative Intensity
59.01373	0.9
61.98832	1.0
69.46396	3.6
96.95988	1.2
100.24933	0.8
105.07078	0.9
125.02474	1.3
136.05299	23.0
145.15852	0.8
148.05298	1.1
149.06075	18.8
162.83910	8.9
163.07652	2.1
163.83875	0.9
164.83606	5.7
170.15094	1.0
176.04825	1.6
177.09183	2.6
178.10101	0.8
191.10826	2.5
219.13844	8.2
220.14685	14.1
221.15433	6.9
233.15504	2.8
252.13857	0.8
256.07315	1.0
257.07983	1.8
261.14944	7.1
267.10291	1.6
275.16531	1.0
297.18915	1.0
300.75082	0.9
341.28467	1.6
342.17957	3.0
355.04007	1.0
359.54050	0.8
379.25723	0.8
385.27493	3.6
397.31198	2.8
398.31729	0.9
423.29089	1.1
441.30173	100.0
442.30457	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	442.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74157	0.3
59.01378	3.9
61.98829	100.0
71.01378	2.3
72.75056	0.3
83.05035	0.4
83.57118	0.3
85.02957	0.8
89.02437	1.7
93.03496	0.4
96.96026	0.8
101.02455	1.4
113.02479	1.1
119.03529	0.5
120.24006	0.3
125.02507	0.7
134.03758	0.7
137.02477	1.3
137.09697	0.6
152.01169	1.0
155.10780	1.4
160.01819	0.4
167.03511	0.4
181.08719	0.4
193.05009	0.3
194.78098	0.3
199.09755	3.3
199.87933	0.3
201.11327	0.8
209.11852	0.6
267.07297	1.4
281.06061	0.3
344.03323	1.2
360.19824	0.3
379.16089	16.6
380.16309	0.4
382.17816	0.6
442.18985	1.4
443.12195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	5.1
61.98835	2.9
69.25790	5.9
71.01375	11.1
72.01765	2.0
73.02945	7.4
76.34911	1.6
78.51933	1.6
83.01417	2.3
85.02956	4.3
89.02456	2.5
101.02418	8.3
113.02444	3.1
132.29033	1.7
156.49303	1.6
161.04568	4.5
294.91504	1.8
326.21524	1.5
399.23828	20.7
400.23999	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	442.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46409	2.1
55.44948	2.4
59.01379	100.0
60.01721	6.3
61.98817	3.6
69.39435	10.7
71.01378	8.1
73.02931	3.8
78.79477	2.2
85.02940	4.3
85.28209	2.6
92.14276	2.4
96.24384	2.3
101.02438	2.5
109.40751	2.4
121.02867	2.2
161.04538	4.5
171.26987	2.6
204.74390	2.7
217.00525	2.7
243.10225	6.4
244.10570	6.6
266.15082	4.5
279.03833	2.5
281.17444	5.3
293.62469	2.3
400.24054	6.8
425.30618	2.6
442.24280	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	442.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27185	3.5
59.01381	100.0
64.81314	3.6
70.08295	4.4
70.08610	4.5
71.01370	9.8
85.02937	5.9
98.22507	4.8
101.02433	4.5
120.87124	3.9
135.05559	4.4
155.10844	4.4
206.36560	4.1
238.11687	4.4
296.60864	3.8
391.47269	4.1
399.23538	6.7
400.24225	4.0
430.48538	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	442.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59744	6.5
56.12452	7.7
59.01110	10.8
59.01377	100.0
61.98824	9.1
69.30699	31.3
71.01369	13.8
89.02482	6.5
101.02459	12.3
109.48188	7.3
113.02458	8.8
130.37279	6.7
136.10391	7.7
148.31932	7.4
169.13657	7.4
202.06479	7.7
234.68221	7.5
238.89409	7.8
249.10025	6.9
253.60349	7.2
258.24918	8.2
258.37180	7.0
399.23755	19.8
427.92426	6.7
442.24115	16.0
448.02939	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	442.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
67.54626	0.7
70.29175	0.7
70.77620	0.7
70.77943	0.9
75.00838	0.6
92.41048	0.7
109.02965	0.8
202.98753	0.9
225.11594	0.8
266.15042	0.9
293.17438	0.9
412.17392	0.8
442.17053	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	442.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19255	7.0
51.14398	6.7
59.01380	100.0
61.98822	12.4
69.42391	25.7
71.01377	13.0
72.99305	13.3
73.02965	9.4
90.33320	6.8
98.88201	6.8
129.16002	8.7
161.04587	9.4
182.99832	7.1
187.67838	7.4
206.00464	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	442.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72933	4.7
59.01392	6.3
61.83703	5.8
61.98822	13.7
65.57304	5.7
67.56091	4.7
69.65649	16.5
78.55865	5.6
92.40250	4.8
98.21901	7.9
99.92593	4.9
139.00386	34.5
141.86781	6.2
141.93651	7.5
165.43047	5.4
203.99487	5.2
219.17490	24.6
281.17566	77.2
299.20117	8.1
340.13351	5.6
379.24902	100.0
380.25427	6.9
442.07736	11.7
442.14368	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	442.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52097	1.8
60.93187	1.7
61.98828	100.0
64.95461	1.8
68.88682	1.7
69.48831	2.3
69.49167	7.7
70.02944	1.9
71.60721	1.5
80.93587	1.5
98.22671	1.8
104.84212	1.8
110.54452	1.6
219.15457	1.7
444.16019	1.6
451.73291	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	442.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82112	2.1
56.75441	2.1
59.01378	100.0
60.01712	9.7
61.98826	9.7
69.19994	15.3
71.01391	9.0
73.02948	4.0
78.14777	2.3
81.56165	2.1
85.02937	4.9
92.08032	2.4
101.02434	8.9
113.02425	4.2
117.67767	2.6
118.98098	6.2
125.02454	3.0
153.01811	2.7
161.04575	2.7
201.55510	2.2
202.37869	2.5
221.11821	4.6
281.13855	6.4
290.28802	2.3
400.23917	2.9
425.87259	2.4
443.18961	4.5
451.09662	2.3
454.96347	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	442.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01373	43.0
73.02928	12.2
83.01374	8.7
85.02938	21.8
89.02430	10.4
96.97434	4.4
99.00876	6.4
101.02438	29.4
113.02465	16.8
124.04189	5.0
141.64720	4.8
143.18614	5.6
148.95744	5.1
161.04503	27.0
238.11681	10.5
281.14063	6.0
285.09006	6.9
311.14948	51.1
382.15656	11.2
400.16791	16.1
401.03964	4.9
442.18045	9.3
443.19217	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	442.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31147	3.5
77.66083	2.3
81.03448	21.7
122.03660	3.1
137.06088	84.5
187.03952	3.3
198.75142	2.9
215.03467	5.8
293.17603	2.7
307.19168	4.0
329.17249	3.2
349.58884	3.0
399.08264	4.9
399.29041	100.0
400.29492	7.6
441.29590	4.7
442.30334	56.3
443.28082	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	443.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52539	1.1
59.01366	3.5
61.98819	1.3
71.01370	3.9
73.39674	0.9
78.95918	1.2
82.63102	1.0
82.95424	1.3
87.27226	1.0
96.96012	8.6
96.96946	2.6
101.04868	1.1
108.02166	18.5
109.02969	3.0
114.93456	1.1
125.02439	2.0
132.98177	1.2
137.02444	2.3
149.28775	1.2
152.01151	4.1
153.01904	2.6
159.04529	1.4
160.97711	1.5
173.11395	1.1
181.99004	1.8
182.99799	2.4
183.02962	1.9
186.99284	1.2
197.04434	1.4
208.97716	2.2
210.99191	1.2
224.00023	39.9
225.00818	10.7
226.14740	1.0
230.42542	1.1
238.98849	1.9
241.53555	1.0
249.00919	2.5
249.97943	42.7
250.98723	20.5
251.98982	1.2
261.00766	1.2
285.06049	2.8
304.95523	1.1
305.06577	1.7
306.68323	1.0
334.51593	1.1
335.62625	1.2
347.41122	1.2
383.02948	100.0
384.03177	4.8
437.90842	1.1
443.00821	1.5
443.19272	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	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
59.01376	1.9
63.40115	0.3
69.38069	1.7
71.01381	1.2
79.05516	0.3
79.95730	0.8
85.02953	0.5
89.02441	0.6
91.01875	0.3
91.05545	1.2
93.03450	0.4
95.05087	0.3
96.96011	16.5
101.02447	0.7
103.05553	4.1
105.03442	0.7
105.07113	1.8
107.05102	0.5
108.02176	5.0
108.31211	0.3
109.02961	0.6
113.02469	0.3
117.07101	0.6
119.05020	0.9
121.06588	0.9
122.97548	0.5
123.04535	5.0
125.02454	1.6
126.02811	0.4
130.04250	1.2
131.05089	0.6
133.06602	1.8
135.04521	2.8
137.02452	0.4
137.06065	2.5
139.04005	1.2
143.05057	0.8
145.06648	1.8
146.03725	1.0
146.52838	0.3
147.04521	9.3
149.02452	0.7
149.04877	0.4
149.06082	8.2
151.04059	0.9
152.01146	10.7
153.01886	1.2
154.02367	0.3
159.04485	1.6
160.05351	1.6
161.06070	4.1
162.03241	3.0
163.04021	3.0
165.05565	4.1
167.03491	15.5
174.03207	0.8
175.03996	2.1
177.02005	0.7
177.05586	1.5
177.09242	0.4
178.02681	0.4
179.03497	1.0
189.05562	6.8
190.02711	0.5
191.03493	100.0
192.03822	3.3
193.05055	15.2
194.05382	0.9
203.03477	0.7
203.07240	0.4
205.05101	2.2
209.04530	0.4
221.04535	5.8
221.08064	0.8
231.06563	0.9
233.04532	15.4
234.04965	0.3
269.10327	0.4
275.02255	1.2
281.10294	1.1
293.06744	0.3
304.79764	0.4
311.07648	2.2
392.45825	0.4
401.14496	0.5
443.06430	5.1
443.11853	43.3
444.06628	0.7
444.12054	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	443.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38482	0.5
55.01877	2.0
55.94659	0.5
57.03441	1.7
59.01378	100.0
61.95155	0.5
66.53791	0.5
69.17547	0.5
69.53889	1.8
71.01378	22.9
73.02944	8.0
75.38292	0.6
83.01379	3.6
83.69476	0.6
84.01289	0.6
85.02947	11.7
87.00878	1.1
89.02436	4.6
95.01385	1.2
97.02980	0.7
99.00880	3.1
101.02443	17.0
105.03494	0.6
109.02957	2.1
111.00874	0.6
113.02444	9.8
115.35624	0.5
119.05022	0.8
122.03738	0.7
125.02457	4.4
126.02809	0.7
131.03497	0.8
138.03223	0.8
143.03510	1.4
149.02487	1.0
153.01936	2.2
154.02356	1.0
155.02466	0.9
159.03026	2.0
161.02515	1.1
161.04568	9.4
161.05998	1.3
162.02773	0.6
177.01912	13.3
177.09180	3.0
178.02684	4.2
189.05696	0.8
192.04346	2.0
193.05034	0.7
199.11044	0.5
201.09128	0.6
219.10262	6.8
221.00858	4.3
221.08267	3.0
233.04562	1.7
236.03244	4.3
237.11298	8.9
239.09216	3.8
251.09375	0.8
263.05664	2.8
269.10281	24.7
281.10297	1.1
311.11475	5.1
355.10474	1.2
383.13409	1.2
399.09406	6.3
399.16455	1.1
400.09415	0.7
401.14508	16.8
402.15118	1.3
443.09155	1.2
443.15417	13.4
444.15912	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31846	4.1
57.03434	6.9
59.01376	100.0
61.98817	4.9
63.61192	4.7
71.01382	33.3
73.02932	12.2
85.02919	9.4
89.02435	14.5
89.63708	4.1
92.92554	3.8
95.01393	5.9
98.72159	4.3
99.04509	9.1
101.02444	16.8
106.04222	8.5
113.02419	15.4
119.03481	7.1
122.03712	7.0
125.02415	14.7
134.03648	4.3
137.06119	6.8
149.09680	14.2
151.07695	5.2
153.09209	9.9
161.02373	8.1
161.04535	9.9
177.09201	68.1
179.10780	53.8
180.11084	4.5
193.08745	6.5
195.10249	74.2
196.10468	5.4
219.10294	4.6
219.13867	9.7
221.11821	45.2
237.14886	8.7
239.12834	6.2
263.12936	6.8
281.13852	38.8
329.66125	4.1
339.14456	64.5
340.15234	5.5
357.15546	77.2
383.16785	6.0
383.21255	5.4
399.16541	89.4
400.16995	4.8
401.17783	4.9
443.18787	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75283	0.5
57.03436	0.7
59.01076	0.9
59.01377	14.9
61.98817	0.9
69.07372	4.7
71.01385	5.2
73.02936	2.6
73.57407	0.7
76.84272	0.7
77.79011	0.6
81.03471	0.8
81.22853	0.7
83.01373	1.2
85.02940	2.2
85.46680	0.7
89.02465	1.7
99.04516	0.7
101.02444	3.8
109.02966	3.3
109.06576	1.6
111.00896	1.2
113.02445	2.3
121.06588	0.9
125.02419	2.7
135.00914	1.2
136.01575	0.7
137.02454	4.9
138.03178	1.4
151.03995	7.0
152.04784	0.8
153.01932	9.5
161.04556	1.1
162.06888	1.0
163.07651	4.6
165.05589	0.8
165.12868	0.7
169.01530	0.9
178.06310	4.6
179.07072	1.3
180.07916	11.7
193.08643	0.9
194.05959	0.8
195.10320	1.0
206.05795	5.5
207.06586	1.3
207.10233	2.1
219.13992	0.8
221.08188	20.8
222.08435	1.0
224.06886	75.4
225.07295	2.4
237.14938	2.9
239.09241	100.0
240.09657	4.6
251.05725	0.9
269.06613	0.8
281.10577	1.0
281.13928	2.5
311.15079	0.9
327.07440	0.8
383.13290	5.2
401.14423	3.0
443.15292	21.7
444.16006	1.2
469.84784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07912	0.7
55.01892	0.7
55.20115	0.7
57.03452	2.8
59.01377	100.0
71.01376	7.7
71.44335	0.8
73.02934	3.5
79.69579	0.5
83.01414	1.1
85.02945	4.7
87.00891	1.3
89.02448	0.9
95.01398	1.0
99.00893	1.2
101.02441	5.3
109.02967	1.0
113.02441	5.4
123.08179	1.2
125.02507	0.9
135.08083	0.8
143.83083	0.8
148.32605	0.7
149.06079	1.2
151.07640	1.0
151.11226	0.9
159.03027	1.1
161.04550	5.3
161.09689	3.3
163.07661	1.8
165.09206	1.2
177.12805	0.9
178.06348	1.4
179.10757	9.7
191.07085	1.3
193.12338	4.4
197.04498	1.2
203.10785	15.3
204.11098	0.9
206.09448	6.3
219.10287	1.6
221.11813	91.7
222.12160	3.0
272.17459	0.6
332.47836	0.6
337.03903	0.7
343.60150	0.7
353.92188	0.6
374.55960	0.7
389.89987	0.8
443.15231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07912	0.7
55.01892	0.7
55.20115	0.7
57.03452	2.8
59.01377	100.0
71.01376	7.7
71.44335	0.8
73.02934	3.5
79.69579	0.5
83.01414	1.1
85.02945	4.7
87.00891	1.3
89.02448	0.9
95.01398	1.0
99.00893	1.2
101.02441	5.3
109.02967	1.0
113.02441	5.4
123.08179	1.2
125.02507	0.9
135.08083	0.8
143.83083	0.8
148.32605	0.7
149.06079	1.2
151.07640	1.0
151.11226	0.9
159.03027	1.1
161.04550	5.3
161.09689	3.3
163.07661	1.8
165.09206	1.2
177.12805	0.9
178.06348	1.4
179.10757	9.7
191.07085	1.3
193.12338	4.4
197.04498	1.2
203.10785	15.3
204.11098	0.9
206.09448	6.3
219.10287	1.6
221.11813	91.7
222.12160	3.0
272.17459	0.6
332.47836	0.6
337.03903	0.7
343.60150	0.7
353.92188	0.6
374.55960	0.7
389.89987	0.8
443.15231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70173	0.9
57.03438	1.0
57.78253	0.9
59.01379	49.8
60.01701	1.0
61.98826	4.2
69.03437	2.1
71.01380	43.0
72.99293	2.0
73.02943	7.7
81.03446	3.2
83.01391	4.2
85.02932	7.6
87.00867	1.4
89.02444	45.4
90.02776	0.9
95.01355	1.2
96.02190	1.3
97.02937	4.6
97.06564	0.9
99.00891	1.4
101.02451	12.2
102.11951	0.8
111.00872	2.0
113.02444	8.2
119.03482	2.7
120.07345	0.8
123.00860	2.2
124.01642	4.9
125.01629	1.2
125.02460	16.7
131.03513	10.0
133.06584	2.9
137.02374	1.0
143.03453	1.5
149.04573	10.8
149.09721	54.1
150.10046	1.1
152.01123	6.6
155.20747	1.1
157.79411	0.8
161.04541	2.3
166.02695	1.0
166.90810	0.8
176.35419	0.9
188.97511	0.8
191.05566	4.5
210.77007	0.9
221.11880	0.8
233.06694	4.2
240.11736	0.9
253.14458	14.4
263.12930	1.6
267.16006	1.1
281.13934	100.0
282.14297	4.8
293.08789	12.2
295.15387	2.2
323.14908	3.2
324.15649	0.9
346.47955	0.9
383.17014	1.4
401.18213	2.0
428.76752	1.0
443.19153	45.9
444.19550	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	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46516	1.0
51.58015	0.7
55.01881	4.9
55.27603	0.7
57.03450	5.7
58.00582	1.0
59.01377	54.9
59.86179	0.7
69.28999	3.3
71.01379	72.1
72.01697	1.3
72.99281	0.8
73.02943	24.0
75.00848	1.7
75.04759	0.7
83.01383	13.0
84.46364	0.7
84.80553	0.7
85.02948	37.0
86.00066	1.0
87.00859	3.3
89.02438	13.6
95.01391	4.1
97.02937	2.4
98.22595	1.8
99.00878	9.1
101.02441	51.7
113.02448	29.0
119.03520	0.8
122.03748	0.8
125.02424	2.3
129.01939	1.5
131.03491	2.9
137.05966	0.7
139.41551	0.9
143.03456	3.4
149.04588	1.5
149.09711	1.1
151.03940	1.2
159.03000	7.0
161.04552	49.4
165.19942	0.9
177.09032	0.9
181.50984	0.8
183.96692	0.7
191.05626	1.6
224.10529	2.8
239.12648	0.8
265.29861	0.8
291.51620	0.9
311.14984	100.0
312.15338	5.9
370.68503	0.8
375.18442	0.8
401.17703	1.2
443.19144	30.8
444.19104	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	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01860	2.7
57.03436	1.4
59.01377	45.5
61.98819	1.3
69.71434	0.8
69.71783	2.0
71.01380	25.5
71.01779	1.3
72.99278	1.2
73.02949	4.3
75.00859	1.9
82.95428	1.3
83.01390	4.2
85.02946	9.1
87.00858	1.9
89.02441	17.3
95.01374	2.4
96.95999	10.7
99.00864	0.8
101.02443	20.7
111.04494	0.8
113.02449	9.8
119.03487	8.3
121.06539	0.6
123.08153	0.9
125.02454	1.3
132.77686	0.6
134.03719	1.1
134.97307	0.6
137.02437	0.9
143.03497	1.3
153.01921	1.0
161.04523	1.4
171.11740	1.4
175.03975	0.6
177.05557	1.2
189.12842	1.5
193.05072	1.8
219.13876	1.0
235.06148	0.7
237.15056	1.2
239.05533	1.4
256.73352	0.6
281.06546	0.8
281.14041	1.0
323.13547	1.3
349.49500	0.6
405.17496	0.8
443.19180	100.0
444.19440	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01573	0.4
55.01852	1.0
56.13439	0.3
57.03437	0.7
57.55800	0.3
59.01378	39.5
64.32647	0.3
69.87968	0.9
71.01381	19.7
72.99290	0.6
73.02946	1.9
83.01372	2.2
83.05006	0.5
85.02950	5.5
87.00841	0.6
87.24982	0.3
88.90002	0.4
89.02442	13.6
95.01368	2.1
97.03509	0.4
99.00883	0.6
101.02436	14.1
107.61433	0.4
113.02437	7.0
119.03483	4.4
125.02453	2.7
125.03253	0.6
132.93686	0.4
161.02415	1.2
161.04597	0.6
171.11708	0.5
189.12932	0.6
239.83606	0.4
358.97717	0.4
386.67526	0.4
391.46286	0.4
443.19189	100.0
444.19531	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68420	0.7
58.63416	0.7
59.01377	100.0
60.01727	1.2
61.98820	1.8
69.37886	1.7
69.38274	1.7
71.01379	9.6
73.02955	2.8
75.00881	0.7
79.12734	0.7
83.01411	0.7
83.47923	0.7
85.02960	2.6
87.00871	1.1
89.02461	3.3
94.05775	0.7
95.01411	0.7
97.02962	0.9
99.00854	0.9
101.02444	5.0
113.02455	3.3
153.01927	0.8
154.33560	0.7
161.04558	2.1
221.11902	1.8
263.16513	1.5
266.12210	0.7
266.15176	3.8
276.20767	0.7
281.14169	1.3
281.17691	2.6
354.00916	0.9
423.19669	0.9
443.23349	1.4
465.80750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
57.03448	12.5
59.01379	29.0
61.98831	1.5
63.86134	0.9
64.58354	0.6
67.94008	0.7
69.54057	2.9
71.01382	11.6
72.99310	2.4
73.02945	2.8
73.93143	0.8
75.00850	1.1
79.54225	0.8
83.05029	1.9
83.73489	0.8
85.02949	3.4
89.02457	8.3
93.03426	0.9
95.01382	2.7
98.03768	1.1
99.04516	68.7
100.04832	0.7
101.02446	6.1
107.27027	0.9
109.02958	1.6
111.00906	0.8
113.02435	7.8
119.03496	2.6
119.08660	0.8
123.04506	3.7
125.02438	3.3
126.68290	0.9
137.02379	1.4
137.09718	8.7
139.07652	20.6
141.05545	1.3
143.03461	1.6
153.01923	2.2
161.04512	2.3
163.07715	1.0
171.06622	1.4
175.14935	7.4
179.05583	1.7
181.08690	9.9
201.12834	3.2
219.13893	19.1
221.11798	1.0
229.48645	0.9
237.14993	4.8
261.09851	1.1
263.12869	25.2
264.13080	0.9
281.13928	100.0
282.14343	5.4
305.13907	4.3
383.16809	1.0
435.38345	0.8
443.18765	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94014	0.4
54.87151	0.4
57.03418	0.4
58.84860	0.3
59.01382	1.8
69.41296	1.2
71.01363	0.4
73.02911	0.5
74.46538	0.4
81.79322	0.4
82.07722	0.4
83.01383	0.8
93.03451	0.8
95.05015	0.3
96.02176	0.4
97.02943	1.2
101.02419	0.5
108.02172	17.5
109.02948	1.6
109.06601	0.5
110.03705	0.4
111.08180	1.2
113.02427	0.9
121.02935	4.9
122.03744	2.3
123.00861	0.7
123.04510	3.5
123.08131	0.8
124.01657	15.8
127.53194	0.4
133.02968	0.8
134.03754	2.5
135.04492	1.1
136.01686	0.4
137.02419	3.6
138.03212	1.5
147.04459	0.4
148.05249	0.5
148.95157	0.3
149.06079	0.6
151.03978	1.5
153.09064	0.4
161.06049	1.0
165.05411	0.4
165.12823	0.5
191.14462	0.9
193.08531	0.3
193.12354	0.8
195.13882	0.5
201.12808	0.7
202.09515	0.3
207.10320	0.6
209.15439	0.4
217.12302	1.2
218.12749	0.4
219.13857	4.4
221.11707	0.7
224.06886	1.2
227.10782	0.7
228.51767	0.4
232.32169	0.4
233.21077	0.3
235.13374	13.9
236.13847	1.0
237.15077	1.2
239.09200	0.8
239.12854	1.1
245.11823	12.2
246.12263	0.7
253.14491	1.8
263.12863	41.2
264.13211	2.3
279.12488	0.9
280.13113	3.1
281.13919	100.0
282.14243	5.6
323.15036	1.1
409.54395	0.4
443.19193	51.6
444.19574	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23702	0.6
57.03447	1.5
59.01377	100.0
60.01727	0.8
69.44559	0.7
71.01381	4.2
73.02957	1.9
79.24897	0.6
83.01416	0.8
85.02972	2.4
89.02456	1.3
95.33736	0.6
101.02454	2.8
103.04025	1.1
113.02481	2.8
123.04456	1.2
125.02454	3.2
136.05295	10.5
136.19447	0.7
149.06059	1.5
151.07639	12.2
151.08762	1.2
152.01122	0.8
161.04536	4.0
163.07683	1.1
163.89868	0.6
221.11812	63.6
222.12274	3.0
235.13358	5.0
239.12930	1.6
253.14516	1.0
281.10605	1.4
281.13925	15.9
282.14380	1.2
341.86703	0.8
376.35080	0.8
383.17023	4.2
401.18539	1.8
443.19034	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	443.21
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	1.8
68.99828	2.3
70.67918	2.6
77.11599	1.4
83.53262	1.5
108.02161	3.1
109.06570	4.0
110.00037	2.2
119.05089	2.3
121.02950	1.8
121.06632	6.8
122.03737	1.9
123.00906	9.6
125.99584	5.4
137.06067	6.4
137.99588	3.9
139.00328	4.6
139.07634	2.5
149.02443	9.5
151.00282	1.5
151.03998	1.4
151.14906	2.1
153.03627	2.1
154.97908	1.9
163.03926	2.1
165.05576	12.2
167.14365	7.5
169.15938	4.6
173.02383	1.8
177.01909	1.9
177.05594	2.1
180.29857	1.6
181.16074	1.5
185.15651	2.0
191.14388	5.6
197.15504	1.7
209.15451	3.7
223.13429	7.7
225.14915	5.1
235.13153	2.0
236.14194	3.5
237.14935	8.9
250.15767	1.5
251.12859	30.4
251.15549	2.4
251.16534	2.0
253.14439	100.0
254.14780	3.4
261.22113	4.0
276.17303	2.2
277.21579	2.5
279.12393	15.9
279.15710	2.4
279.23267	5.1
280.13083	2.6
281.13867	5.6
287.20148	5.2
289.18201	4.2
289.21698	8.3
305.17770	1.9
305.21201	29.4
306.21661	3.5
307.22806	14.3
315.19699	7.2
331.19327	8.0
333.20691	92.1
334.20859	5.3
349.20105	5.9
350.20935	13.6
351.21597	9.2
359.18472	5.3
365.18109	1.9
377.19626	23.3
381.21121	2.0
392.22037	3.0
393.17444	13.1
407.24234	6.4
411.18427	77.5
412.18823	6.9
443.20990	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	443.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31361	0.7
69.51345	0.6
69.63177	2.3
69.63532	0.9
96.24040	0.6
98.21925	1.3
111.85320	0.6
131.52576	0.7
139.04028	0.7
167.03477	6.9
168.04129	1.0
181.05133	0.8
181.50610	0.6
208.82312	0.7
246.45688	0.7
251.31241	0.6
325.65036	0.6
349.20172	13.6
350.20953	100.0
351.21371	6.9
392.22003	7.3
407.24368	51.0
408.24786	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2285
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
52.60108	0.7
53.94812	0.7
55.01867	0.8
57.03432	1.3
57.07074	0.6
59.01380	82.3
60.01698	1.2
69.03446	1.1
69.49965	2.4
71.01382	27.0
72.99310	1.1
73.02946	44.8
81.03463	0.7
83.01389	9.2
85.02953	6.6
87.00876	3.0
89.02446	10.1
95.01403	1.0
99.00872	1.8
101.02444	28.6
109.40959	0.6
113.02441	9.0
114.85868	0.6
119.03530	3.5
125.02452	1.3
131.03523	1.5
132.12065	0.7
140.76538	0.6
143.03456	0.7
161.04565	2.2
167.10696	1.2
177.16455	1.2
221.15468	13.9
221.17633	0.8
239.16522	4.5
258.35434	0.7
327.21820	2.6
383.20682	10.8
384.20996	1.2
401.21750	24.4
402.22064	1.4
431.44775	0.8
437.86539	0.7
443.22842	100.0
444.23102	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	443.2437
Annotation	Bufotalin
Peak:m/z	Relative Intensity
55.92619	1.2
57.03445	3.6
59.01395	1.8
65.03949	1.7
69.58794	1.9
69.59187	4.3
87.85020	1.3
93.54943	1.1
93.93540	1.3
95.01378	2.3
97.02943	1.9
108.02204	2.8
109.02928	7.6
111.04524	1.9
122.03726	1.7
123.04357	1.1
123.89693	1.2
136.05353	1.3
137.02432	4.1
137.09749	1.3
238.75403	1.5
245.02626	7.1
331.22882	1.4
339.23422	2.8
341.21143	9.7
343.18976	3.0
357.24384	5.5
359.22409	1.7
365.11917	3.1
383.13016	2.3
383.22189	9.8
385.20157	11.0
397.23611	1.9
399.25323	13.0
401.23294	4.5
413.34717	1.3
425.23251	6.1
443.24435	100.0
444.24649	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2438
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
55.80591	0.5
59.01348	0.7
61.81227	0.6
61.98794	0.6
70.31094	0.6
77.77275	0.5
81.03469	0.7
90.51669	0.5
95.01394	1.7
96.02157	2.2
108.02155	0.6
110.00092	1.0
111.00896	0.7
123.00891	5.8
123.04467	0.5
124.01662	8.5
125.02467	0.6
137.02422	1.6
152.01118	2.4
155.68712	0.6
165.01906	0.8
265.14444	0.9
301.25418	2.2
312.50024	0.5
329.24844	0.6
345.24396	2.2
349.20090	0.9
350.20935	5.1
354.63773	0.6
357.03763	0.5
371.26074	0.7
397.23871	2.1
399.25388	0.7
407.24051	1.7
415.24844	14.5
416.25330	1.1
425.23254	2.3
443.24344	100.0
444.24631	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2438
Annotation	15-O-Methyl-18-oxoneovibsanin F
Peak:m/z	Relative Intensity
59.01373	2.6
61.46529	2.2
61.98825	7.1
62.68435	2.4
64.08202	2.2
65.44166	2.4
70.16489	5.2
71.16402	2.5
80.91674	3.4
81.03055	2.5
81.03455	14.8
83.05043	3.3
104.92289	2.4
109.02944	3.4
122.03719	18.6
123.04532	23.8
124.01653	3.7
135.04517	8.3
137.02457	2.5
202.98575	3.6
242.52531	2.3
280.16803	2.7
313.25293	6.6
337.25421	11.5
350.21066	4.6
353.25003	3.6
355.26413	100.0
356.26770	9.8
368.72852	2.7
381.24329	38.0
399.25336	28.8
400.26129	4.0
407.24356	4.2
425.23300	47.6
443.24432	85.4
444.24857	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	443.2437
Annotation	Bufotalin
Peak:m/z	Relative Intensity
55.26046	1.5
57.03429	2.3
59.01381	3.1
61.98816	2.9
68.48754	1.8
71.44559	1.9
93.03470	2.1
95.01389	1.7
96.96012	2.5
108.02173	13.3
109.02953	5.9
121.02930	3.2
122.03719	4.7
122.26633	1.6
123.00908	2.2
124.01659	26.8
125.02463	3.3
137.02441	6.1
138.03183	2.5
141.13803	1.5
147.11092	1.7
158.90292	1.8
179.07162	1.7
367.19138	4.7
373.23798	2.2
381.24188	1.9
383.11169	1.7
383.22662	2.1
398.54639	1.8
399.25162	2.1
401.23285	3.8
425.23257	11.5
443.24341	100.0
444.24585	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.28
Annotation	Foetidinol
Peak:m/z	Relative Intensity
53.33881	0.4
54.53202	0.5
65.03942	0.6
81.03434	0.6
85.67168	0.5
95.01380	0.7
95.05036	0.6
97.76166	0.5
97.80814	0.4
104.83698	0.5
108.02170	2.1
109.02953	15.0
110.03729	1.1
122.03753	1.3
123.00901	2.3
123.04507	1.9
124.01654	1.6
125.02500	0.6
135.04504	1.5
137.02443	19.8
138.03261	5.9
151.04010	21.9
151.05238	1.1
151.07544	0.6
152.01112	1.0
161.06076	0.5
165.05563	0.9
193.08752	1.4
207.10312	0.8
249.14880	0.8
292.20297	1.1
305.21271	0.9
399.25314	0.8
411.25330	4.6
412.25388	0.9
428.19550	1.0
428.25650	69.0
429.25989	5.1
443.28006	100.0
444.28348	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	444.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35606	0.3
59.01376	3.8
61.01802	0.4
61.98817	0.4
69.39290	1.9
71.01377	0.9
73.02964	0.5
73.49265	0.4
95.58755	0.4
109.58346	0.4
124.88778	0.4
125.02467	0.5
127.42268	0.4
130.11813	0.4
153.05855	0.6
154.06688	0.9
166.06577	0.5
171.60123	0.4
180.04460	0.4
181.05379	2.1
181.99797	0.4
182.06100	2.7
196.03941	0.8
197.04823	3.7
207.03314	0.8
208.04016	0.5
210.05588	4.8
225.04332	4.4
236.03543	1.8
238.05136	0.7
252.03149	0.5
253.03763	2.5
254.04500	0.8
264.03021	6.6
265.03702	1.7
280.02573	1.4
281.03293	100.0
282.04041	69.7
283.04376	3.9
444.09344	76.7
445.09702	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	444.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56792	0.8
55.82065	0.8
59.01376	13.9
60.01703	1.1
61.98829	100.0
69.20585	4.5
71.01392	6.2
73.02951	1.7
83.01395	0.8
85.02937	1.9
89.02442	1.7
95.01383	1.0
101.02424	3.1
113.02432	1.2
125.02457	1.1
152.59262	0.7
161.04500	1.0
177.17757	0.7
238.28667	0.8
263.16504	1.2
277.80765	0.7
293.17578	1.5
315.03830	0.9
358.02383	1.1
423.19434	2.6
435.31665	1.3
457.47321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44857	0.2
59.01379	1.7
60.21362	0.3
60.29462	0.2
61.98828	100.0
62.98555	0.2
68.90125	0.2
69.44699	1.0
71.01390	1.3
73.02950	0.2
82.79723	0.2
84.90837	0.2
85.02975	0.5
89.02443	1.6
89.96790	0.2
91.01876	0.2
93.03446	0.5
101.02465	0.7
107.53036	0.2
110.96256	0.2
125.02450	0.6
133.68196	0.3
137.02435	1.0
151.03996	2.0
184.06444	0.2
293.08835	0.3
384.07947	0.2
384.18954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	61.6
60.44761	5.0
61.98824	38.6
62.12343	5.0
69.09373	41.0
71.01374	50.7
71.25532	5.5
72.99305	5.5
73.02959	12.7
80.37871	5.1
85.02943	20.0
89.02449	18.0
90.57980	5.3
96.91937	5.9
101.02435	34.7
111.36922	5.0
113.02434	16.5
125.02393	13.9
128.67841	6.0
133.67822	6.1
137.02455	5.4
161.04503	28.5
162.68010	5.5
164.08028	6.1
178.06328	6.0
180.07904	13.9
181.08278	11.4
208.27438	5.5
221.08238	15.7
221.11739	7.7
222.08456	22.1
224.06918	56.4
225.07239	63.6
239.09230	77.1
240.09575	100.0
250.87593	5.4
281.13831	6.6
359.76654	5.9
384.13574	10.1
391.22949	6.1
401.18250	31.7
444.15891	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	444.2379
Annotation	SCH 210971
Peak:m/z	Relative Intensity
52.80370	1.4
57.03426	3.1
59.20667	1.5
61.98808	3.6
76.77171	1.7
81.37267	1.5
87.00878	66.4
95.05063	2.3
96.04539	5.3
112.04036	5.5
114.72565	1.5
122.99623	2.6
123.00848	6.2
138.05618	11.3
138.74118	1.6
156.06621	3.2
158.04626	5.7
162.83922	4.1
164.83620	52.0
209.11824	27.6
210.12149	22.7
237.14905	5.8
238.15254	6.7
259.20682	4.2
261.14874	1.8
262.22208	1.8
279.16000	4.3
280.16281	8.0
338.24872	1.9
340.18973	9.8
355.22940	1.9
382.23834	3.9
398.23434	1.8
400.24881	11.2
426.22809	16.5
427.23953	2.1
444.23999	100.0
445.24728	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07644	1.1
61.04564	0.9
78.91897	1.3
80.91647	1.0
81.03455	2.0
82.95355	1.5
84.00904	22.3
87.00871	1.1
99.92563	1.4
108.02197	1.8
110.03687	1.7
116.92846	4.7
117.92887	2.8
122.03719	1.4
123.00877	1.7
123.04527	31.8
130.72389	1.1
137.02409	6.6
138.03191	2.2
147.86647	1.0
151.03981	12.9
152.04788	1.3
152.55843	1.0
165.05545	3.4
174.06453	1.0
187.69571	1.1
193.12337	1.3
221.11842	2.6
238.15280	2.1
247.17039	1.7
275.20120	2.6
276.20432	2.6
286.86917	1.2
289.21732	3.0
303.19690	7.6
304.19800	2.6
317.21161	5.9
318.21960	13.4
333.24310	43.3
333.28305	2.1
359.25919	2.3
360.26147	2.1
362.26691	1.4
363.25388	100.0
377.93402	1.2
444.12988	4.7
444.28491	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	444.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65902	17.0
57.65107	21.1
61.53974	18.9
69.39349	100.0
80.66734	20.2
89.05173	18.5
98.21881	37.6
111.19565	20.9
124.49947	20.1
134.83096	18.1
135.86043	18.9
160.29594	19.6
162.83879	36.1
206.05479	22.0
277.38867	21.3
295.81650	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51883	35.5
56.03724	36.9
60.82376	33.4
65.20765	40.5
115.21858	37.2
144.42409	37.7
162.83943	100.0
179.82104	41.9
314.95468	39.7
337.67120	37.4
372.29776	89.2
444.08865	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	445.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.1
66.74237	0.5
70.11731	0.5
71.01384	3.4
71.44157	0.5
73.02956	4.2
76.61353	0.5
85.02942	1.4
87.00854	1.2
89.02426	1.9
93.03452	9.5
96.02243	0.5
96.96039	0.5
99.00866	3.9
99.92583	10.0
101.02435	2.6
107.05013	0.6
113.02468	1.3
115.04006	0.7
116.92854	100.0
117.01221	0.6
117.01923	3.5
117.92859	3.4
119.03484	1.1
125.02423	1.2
131.03465	0.6
136.01668	0.7
137.02437	38.6
138.03116	0.5
151.03993	1.4
165.05597	0.9
169.01419	0.5
179.03496	3.3
192.00641	4.5
193.01396	0.7
207.02979	1.5
239.09192	0.9
243.57426	0.5
266.95950	0.8
291.93414	0.6
293.33710	0.5
306.95639	0.8
312.04886	0.7
327.07236	3.1
383.58807	0.5
384.98651	0.8
444.19659	3.0
445.00955	1.9
445.13519	3.4
445.19821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
59.01377	81.6
60.99303	13.8
62.40720	1.0
64.89380	1.0
71.01378	13.0
71.43737	1.0
73.02943	4.8
81.89275	1.1
83.01369	1.2
83.05008	1.2
85.02940	3.1
87.81828	1.0
88.98804	100.0
89.01993	1.0
89.02440	6.7
99.00877	1.5
99.66857	1.2
101.02452	7.0
106.15075	1.2
113.02426	6.4
119.03467	2.8
125.02432	4.8
131.03458	1.0
153.28517	1.2
161.02428	1.5
161.04561	5.2
162.92830	1.0
165.65955	1.1
179.05557	3.7
179.44736	0.9
191.03473	1.6
205.12341	5.0
207.06660	2.7
209.04590	2.5
223.13348	5.3
225.03966	2.0
238.63295	1.0
249.06039	1.2
283.08173	4.2
297.96948	1.1
358.99802	1.8
385.18723	5.4
403.98987	1.2
445.13321	1.8
445.20706	2.6
453.75922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	47.5
70.19830	1.9
71.70924	0.8
74.02473	1.7
77.41230	0.9
103.00367	100.0
104.00700	1.5
104.03531	7.0
115.75779	0.8
133.01407	2.2
168.11603	1.0
341.10858	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	445.1349
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
53.19739	0.4
54.84452	0.4
55.01876	1.2
57.03441	0.8
58.00586	1.0
59.01376	62.3
60.01725	0.4
61.98827	6.5
65.00326	0.7
69.03456	5.0
69.87698	1.0
71.01379	58.9
71.14195	0.4
73.02946	5.9
73.45528	0.4
75.00880	1.5
79.01904	0.8
81.03464	3.6
83.01379	3.5
85.02954	9.1
87.00888	1.0
88.98825	0.8
89.02440	63.2
90.02785	0.8
91.01891	14.1
92.02695	3.0
93.03459	13.0
95.01380	1.4
96.96023	0.5
97.02950	7.8
99.00896	1.7
101.02440	14.1
107.01410	0.6
107.05012	2.4
108.02177	0.7
111.00896	0.8
113.02454	8.7
119.01382	5.9
119.03503	1.8
121.02956	14.9
125.02442	20.3
126.02779	0.7
131.03496	12.1
133.02946	1.1
136.01663	0.6
137.02438	13.1
138.03270	0.4
139.03976	2.2
143.03491	2.3
149.02425	1.3
149.04547	13.7
151.04001	100.0
152.04303	2.8
153.05560	0.9
161.04564	1.0
179.03430	0.7
181.01416	0.6
191.05588	5.3
196.03812	0.9
197.04556	2.1
223.09785	1.6
231.30716	0.5
233.06657	5.4
239.05589	1.2
281.06613	1.7
293.08771	9.2
413.10901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15475	1.3
55.01875	2.7
58.00579	1.6
59.01376	65.7
61.98819	3.5
66.47468	1.3
69.03457	2.6
69.45274	5.3
71.01381	34.3
72.99320	1.6
73.02957	8.9
78.91856	1.6
82.95411	2.6
83.01398	7.8
85.02943	9.1
87.00868	4.2
89.02443	55.6
93.03450	9.5
95.01363	2.8
96.95997	5.9
98.21859	3.3
98.95599	1.7
99.00903	1.6
99.92552	2.4
101.01775	2.6
101.02443	44.1
106.04241	1.3
107.05024	54.2
111.00892	2.3
111.81834	1.1
113.02447	19.3
115.92113	1.6
116.92861	19.0
117.03444	3.6
119.03519	24.5
119.05010	35.0
119.99354	1.2
121.02943	2.4
123.00858	1.7
123.03288	2.0
123.04475	1.4
124.01685	1.6
125.02419	4.6
131.03502	3.3
131.05019	4.2
133.02953	37.5
135.04530	8.6
135.39961	1.5
137.02464	11.5
138.05598	9.3
141.00459	1.4
141.01849	3.1
143.03455	5.8
145.06543	3.0
145.65086	1.2
147.04517	84.6
148.04842	1.4
149.06075	52.5
151.03961	6.5
152.01137	1.9
153.01869	1.5
161.02426	1.5
161.04567	11.9
163.03999	7.4
165.05565	100.0
166.05876	1.8
167.03510	2.6
169.01431	2.3
173.06046	12.8
173.39125	1.4
175.03990	8.3
179.05606	35.9
181.05054	10.3
183.04489	1.8
185.06013	6.0
193.04930	1.6
201.05536	6.9
203.07063	4.3
219.06575	3.9
223.06081	3.0
237.07695	10.3
247.06055	3.0
249.27135	1.4
265.07166	1.6
282.07242	1.6
283.08441	1.4
353.12476	2.4
427.12360	1.7
445.13446	53.2
445.19928	2.7
446.13324	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.0
57.03443	4.1
58.00591	1.1
59.01377	100.0
61.98805	0.7
69.03439	0.7
71.01380	78.4
71.07533	1.0
72.99319	1.4
73.02946	16.8
75.00896	0.6
83.01390	10.0
83.48440	0.6
85.02952	28.3
86.00104	1.2
87.00873	8.9
89.02440	51.1
93.03458	1.0
95.01391	6.3
97.02969	2.2
99.00884	5.5
101.02444	47.6
113.02444	35.1
119.03504	22.4
125.02436	3.6
129.01979	0.9
131.03499	13.0
131.04417	0.8
137.02472	0.6
143.03491	8.0
149.04604	2.0
158.15625	0.7
159.02977	4.3
161.03210	1.1
161.04559	29.6
179.05608	46.4
180.05963	1.4
205.12256	0.9
221.06659	55.7
222.07146	1.0
223.09795	2.0
263.07693	13.7
385.18839	1.1
445.17108	16.4
445.22610	1.1
446.17661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.37620	0.5
57.03449	1.5
59.01379	81.5
61.98835	4.0
62.68767	0.5
69.18533	2.0
69.18953	1.3
71.01382	11.1
73.02953	3.6
83.01389	1.6
85.02953	5.0
87.00883	0.6
89.02425	3.7
95.01395	1.4
96.96035	0.9
97.03023	0.6
99.00922	1.5
99.04524	1.4
101.02437	8.4
108.02190	2.1
109.02947	0.9
109.46294	0.6
113.02428	5.6
113.06111	1.0
115.04004	1.1
119.03479	1.0
121.02928	1.0
122.03742	1.4
123.04493	1.1
124.01743	0.5
125.02438	3.1
136.05301	2.5
137.02441	1.9
137.06052	3.2
137.09753	0.7
140.66719	0.5
143.03494	0.6
151.03986	2.8
153.05539	1.2
153.09171	0.9
154.02399	0.6
159.03006	1.1
161.02559	0.6
161.04552	12.4
161.05847	1.0
163.03998	1.5
164.04811	9.9
165.09149	0.9
169.01372	0.7
179.05684	1.0
179.07133	7.9
179.92209	0.5
195.47943	0.6
204.06952	0.6
205.08717	1.4
205.12393	1.2
207.06592	0.7
208.07414	1.4
220.96484	0.7
221.08270	1.2
222.08649	0.7
223.09753	100.0
223.13373	8.4
224.10094	4.1
282.45819	0.6
283.12091	0.6
283.15430	1.5
289.07129	0.7
385.14621	0.9
385.18924	0.8
413.69922	0.5
445.21109	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	445.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58016	2.8
69.58369	7.8
99.92583	45.6
100.93364	4.1
115.92062	7.6
116.92062	2.0
116.92841	4.0
117.25238	1.6
137.02467	2.6
163.56461	1.5
207.94682	5.7
221.96249	5.4
361.24069	2.1
407.70883	1.8
427.19318	3.0
439.15756	2.0
441.17532	1.9
445.20499	100.0
445.29327	7.8
446.20639	8.8
459.18585	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78520	0.8
57.03433	1.7
59.01377	100.0
61.98822	1.9
62.28259	0.8
67.19391	0.8
67.43253	0.9
69.08766	6.7
71.01377	36.9
72.99301	0.9
73.02943	15.0
74.14793	1.0
76.63791	0.8
83.01390	1.6
83.60950	0.8
85.02950	9.3
87.00877	2.6
87.85653	0.9
89.02444	43.4
95.01382	2.5
98.21790	2.2
99.00877	1.5
101.02444	22.4
113.02448	16.0
119.03501	20.8
121.06556	1.2
122.30133	0.8
125.02424	5.8
131.03493	2.4
137.09735	16.4
143.03493	4.7
149.04506	2.0
153.09187	3.9
161.02475	1.7
161.04549	12.8
179.05612	19.2
187.11270	1.3
198.66594	1.0
205.12311	15.8
223.13391	2.1
355.02255	1.0
385.13925	1.8
385.18616	23.5
386.18948	2.2
445.12592	1.2
445.20731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
56.42500	0.7
57.03436	3.8
57.34835	0.8
57.85391	0.7
59.01376	100.0
61.01860	0.7
62.24105	0.6
62.92276	0.7
69.24763	3.4
71.01379	24.1
73.02940	7.2
82.98389	0.6
83.01404	2.3
85.02956	8.1
85.99773	0.7
89.02438	3.1
95.01384	0.8
97.45528	0.9
99.00886	2.2
101.02433	12.4
107.24000	0.7
113.02454	9.7
113.06126	1.6
114.87810	0.7
119.99326	0.8
124.33098	0.7
137.09743	1.4
153.09250	2.3
159.02966	3.6
161.04558	22.4
161.05821	1.4
165.09244	2.1
183.94194	0.9
187.11346	1.3
205.12331	2.8
212.50267	0.8
223.13397	18.8
223.15524	1.2
335.27853	0.8
364.74988	0.9
433.05405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03446	2.1
59.01377	100.0
60.01721	0.6
60.87774	0.4
71.01379	28.8
71.45303	0.6
73.02940	9.8
75.00868	0.8
75.40843	0.4
80.32893	0.4
81.03486	0.7
82.75774	0.5
83.01382	4.3
85.02946	13.8
87.00878	1.7
89.02444	7.9
91.69760	0.4
95.01401	1.9
97.02986	0.9
99.00887	3.3
99.92550	0.7
101.02443	23.2
111.00883	1.1
113.02448	11.4
113.42135	0.5
116.92850	0.6
118.89977	0.8
119.03516	2.0
123.08124	0.4
125.02453	1.8
129.01950	0.7
131.03499	12.8
136.05296	1.9
141.93674	0.7
143.03523	1.9
149.06093	1.3
150.06880	1.7
159.03012	2.8
161.02539	0.8
161.04555	20.1
179.05623	0.5
205.12326	10.0
208.11064	1.8
223.13380	54.3
224.13829	1.9
227.91463	0.6
237.11220	0.6
313.16556	41.5
314.16983	2.7
324.03116	0.7
359.17343	0.9
385.18484	0.7
399.16632	0.9
401.18555	0.6
440.87823	0.5
445.20505	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	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	0.9
65.58273	0.8
69.07889	6.1
69.08287	1.9
71.01376	16.5
73.69796	0.9
83.01391	1.1
83.05026	1.9
85.02959	1.7
89.02440	26.7
101.02431	7.0
107.56992	0.9
113.02448	7.6
119.03495	11.1
120.90585	1.0
131.03488	1.8
143.03479	2.7
149.04497	0.9
161.04585	5.1
166.71350	0.8
179.05624	18.4
270.10645	1.5
402.14764	1.5
445.20560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01377	100.0
60.01714	0.5
69.38105	2.7
71.01379	6.0
73.02956	2.5
78.09676	0.5
83.01413	0.8
85.02950	1.5
89.02463	2.7
99.00906	0.8
101.02452	3.0
105.03476	0.7
113.02463	2.1
125.02441	17.2
126.02779	0.6
136.05293	22.0
137.02446	1.0
137.05536	0.6
143.60944	0.5
149.04553	1.5
151.07643	29.9
152.08012	0.9
161.02449	8.1
161.04480	3.7
223.13385	54.9
224.13686	3.1
225.05557	0.9
241.01384	0.5
241.08722	1.6
269.04532	0.7
270.01791	0.7
283.15564	2.3
287.05667	3.2
313.16577	2.5
325.36273	0.5
408.48904	0.6
445.20667	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.74472	0.5
62.42545	0.5
65.82333	0.6
69.37527	2.5
69.95074	0.5
71.01379	5.8
73.02971	1.6
75.73997	0.5
83.01419	0.7
85.02970	2.8
89.02459	0.8
99.00922	1.2
101.02428	3.1
113.02431	2.8
117.86469	0.6
136.05309	2.2
143.03577	0.6
149.06053	0.7
161.04570	10.9
175.20145	0.6
191.10928	0.6
208.11093	1.9
223.13379	63.6
223.52641	0.6
224.13724	2.7
385.18842	0.7
445.20395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96398	0.4
59.01377	89.6
60.01723	0.9
60.99313	1.1
61.98830	9.3
69.36417	2.0
70.82488	0.4
71.01376	17.2
71.20427	0.5
73.02953	2.4
83.01384	0.8
83.05027	1.9
85.02949	3.6
87.00881	0.7
88.98810	6.6
89.02441	26.4
91.65017	0.5
93.03455	48.6
94.03803	0.7
94.68994	0.5
95.01376	0.8
97.02929	0.5
101.02444	10.8
107.05035	0.9
113.02454	7.2
119.03507	9.5
121.02937	3.2
125.02435	1.0
131.03506	2.0
137.02440	100.0
138.02803	2.7
143.03537	3.1
149.02443	0.5
149.04553	1.3
150.79584	0.4
151.04004	10.2
161.04585	4.2
163.06119	0.7
166.02684	1.0
179.03491	5.3
179.05591	16.6
197.04648	0.7
205.12372	0.8
209.11827	2.8
221.04610	1.1
223.13480	0.5
239.05562	0.5
253.09193	0.5
265.10785	0.9
293.08603	0.6
420.55527	0.6
445.20963	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.4
71.45050	1.0
78.95906	5.8
82.73042	1.0
99.00882	1.0
110.98537	4.3
139.03987	1.7
165.09158	4.9
167.01173	1.3
185.02158	5.3
193.66409	1.1
209.06325	1.8
209.08183	25.2
209.55458	1.0
215.06570	0.9
263.12836	2.1
276.23758	1.0
277.21710	100.0
278.22110	5.8
309.20789	1.3
401.19418	1.3
445.22675	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	445.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.5
69.23682	3.3
69.24065	2.7
77.70361	1.5
79.83778	1.4
84.49022	1.3
99.92566	1.9
106.61106	1.4
123.04524	31.5
137.02455	7.5
151.03998	15.4
152.04750	1.5
159.75101	1.6
165.05530	3.8
193.12331	2.7
221.11694	1.8
221.59026	1.5
236.76338	1.4
264.04861	1.3
275.16516	2.4
289.21667	2.8
303.19528	5.0
317.21225	6.7
318.21869	14.3
333.24332	45.9
334.24631	2.2
363.25385	100.0
364.25650	6.0
383.07227	1.8
445.29401	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	445.2594
Annotation	CJ 13103
Peak:m/z	Relative Intensity
50.85846	0.7
57.03445	5.9
59.01377	2.6
61.98823	1.5
65.03963	3.9
67.01879	4.1
73.02939	0.8
78.95892	2.1
81.03445	0.9
84.95059	0.8
95.01382	3.5
97.02942	3.6
108.02126	0.9
109.02954	11.5
111.04499	1.6
121.03029	1.3
123.04572	1.2
125.46748	0.7
137.02446	11.4
138.03255	1.2
147.11728	0.7
152.99571	4.0
179.07228	1.0
281.39493	0.8
285.18475	1.3
287.16434	0.9
301.21594	1.6
303.19009	0.8
325.21765	1.0
329.17444	1.4
341.24759	1.6
343.22723	6.7
345.20795	3.1
359.22046	1.6
359.25940	2.2
367.23199	0.9
369.20682	6.6
379.58643	0.8
383.25839	2.0
385.23969	3.9
387.21701	14.9
388.22168	1.2
401.26978	6.6
403.24841	3.0
409.23700	1.2
427.24918	3.5
445.25937	100.0
446.26239	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	445.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.9
59.01376	1.1
65.00311	2.1
69.59630	1.8
75.97929	0.4
81.03452	8.9
83.01385	9.2
88.09619	0.4
95.05033	1.4
99.04544	0.5
105.03498	0.5
107.01391	2.8
119.25155	0.4
121.02954	0.9
123.00897	0.5
123.04522	41.7
124.04823	1.1
125.02444	100.0
126.02786	1.5
149.02434	3.8
150.53769	0.4
151.00380	7.8
167.03490	86.8
168.03860	1.7
191.03566	0.6
193.01414	41.7
194.01736	1.2
251.23798	1.9
275.23752	1.8
319.22757	3.4
322.21106	0.6
333.20728	2.3
355.18726	1.0
387.25211	0.6
401.30463	0.6
415.24957	0.6
427.24738	0.8
445.25455	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	445.2591
Annotation	Tyromycin A
Peak:m/z	Relative Intensity
59.01366	2.1
61.36427	1.6
61.98827	3.0
64.65205	1.3
69.65266	6.6
81.03454	6.0
93.52331	1.3
96.95997	1.5
98.21840	2.7
103.01522	1.6
119.04884	1.6
122.03726	5.0
127.00128	2.5
135.04506	4.5
149.06201	1.5
219.66895	1.7
295.22849	1.7
315.26956	9.7
339.26926	11.8
352.22537	6.5
355.26486	4.7
357.27975	100.0
358.28378	6.4
365.24643	2.1
383.25916	20.6
384.26248	2.1
401.27005	22.4
401.31979	2.8
409.26010	3.3
427.24811	32.2
445.25943	63.1
446.26141	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	445.3324
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
59.01380	1.4
70.49983	1.2
71.44218	1.3
74.02905	1.3
75.75047	1.2
121.06575	10.4
136.05312	3.7
140.99881	1.5
149.06081	100.0
150.06436	2.7
175.07668	3.6
401.30582	1.8
430.31030	7.7
445.33231	62.3
446.33472	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	446.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.9
59.66021	0.6
61.98828	100.0
69.03446	0.8
71.01374	2.8
73.02946	1.7
83.01386	0.9
85.02953	2.0
89.02451	1.3
99.00896	0.9
101.02453	3.3
107.01389	0.9
108.02183	1.4
109.02991	1.8
113.02441	1.5
121.02877	0.7
125.02439	0.8
145.02982	0.6
151.00377	3.7
152.01180	0.6
153.01790	0.8
161.04466	0.7
164.01231	0.7
178.99892	2.0
183.13913	2.1
193.12387	0.6
209.11775	0.8
211.13391	39.2
225.14818	0.7
243.02940	3.1
253.09282	4.2
254.02161	0.7
255.02946	6.8
271.02466	12.2
283.02679	0.7
300.02737	21.8
301.03503	16.7
302.10898	0.7
344.20786	0.8
445.24326	0.7
446.12692	4.3
446.25040	0.9
447.09253	19.2
447.22092	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	446.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00321	0.1
59.01375	5.3
68.01398	0.5
69.03446	0.1
69.22791	0.2
69.23193	0.3
71.01381	2.0
72.71220	0.1
72.99309	0.1
73.02946	1.2
75.00862	0.1
81.03484	0.1
83.01386	0.2
83.05020	0.1
83.25990	0.1
85.02950	1.0
86.02479	0.1
87.00867	0.3
89.02442	1.6
95.01428	0.2
95.05014	0.2
96.95992	0.1
97.02935	0.4
98.21857	0.2
99.00875	0.2
101.02439	2.6
101.51958	0.1
103.04012	1.7
108.08192	0.1
110.02473	0.1
110.06144	0.1
113.02457	0.5
115.04020	0.3
119.03497	0.8
122.02474	0.3
123.03262	8.5
124.07655	0.1
125.02448	1.6
127.04001	0.2
131.03508	0.1
136.04108	0.1
136.07703	0.2
137.04845	0.3
138.05605	100.0
139.05956	2.3
140.07156	0.2
143.03499	0.3
145.05037	0.4
149.09674	0.2
151.04018	0.3
152.04402	0.2
152.07187	0.3
153.00302	0.1
161.04572	0.2
163.06120	1.8
165.04346	0.2
167.05812	0.1
167.10744	0.2
180.06662	1.1
197.04649	0.1
205.07097	0.2
210.07744	0.1
229.07054	0.1
247.08269	0.7
300.10809	0.3
307.10336	1.0
446.16653	10.6
447.11209	0.2
447.17087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94789	3.7
57.98334	5.2
59.01366	14.9
60.81298	4.9
61.98808	6.5
71.43772	4.9
81.03447	16.3
81.65053	4.2
93.39471	4.7
122.03712	10.4
123.04530	100.0
142.04662	5.1
165.05559	44.8
255.10783	4.4
403.28430	60.6
411.10373	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	446.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72576	3.3
52.14989	3.4
59.01365	5.4
65.95972	3.1
81.03448	19.0
90.72445	2.9
95.70401	3.2
99.06584	3.1
123.00867	15.0
123.04502	3.3
125.87307	10.0
137.06079	100.0
157.86290	3.7
241.90753	8.3
248.88171	6.7
273.89603	5.4
321.20676	16.1
345.44638	3.9
356.30325	4.5
377.26593	4.0
402.30667	4.4
403.32162	33.0
410.10654	5.5
411.10150	34.4
418.07425	4.2
446.07098	12.1
446.17380	4.5
446.30051	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01376	16.5
60.78547	0.3
61.98827	3.0
69.53667	1.6
71.01379	3.9
72.99341	0.5
73.02937	1.5
75.00876	0.5
83.01363	0.8
85.02963	1.3
85.35026	0.4
87.00877	0.8
87.58763	0.4
88.98804	3.5
89.02440	2.4
99.00893	0.4
101.02450	2.3
107.01340	1.3
107.71284	0.4
113.02448	1.9
119.03453	0.7
125.00620	0.6
125.02448	4.4
133.02895	0.4
137.02464	0.6
151.00313	2.2
151.04001	0.7
153.02020	0.9
161.02432	0.6
161.04564	0.5
163.00374	1.0
165.01924	0.6
167.03615	0.8
167.04890	0.4
168.99626	0.9
169.01433	0.7
169.06535	0.6
177.01924	1.8
179.05640	0.6
183.04427	0.6
185.06090	0.4
187.03972	0.8
192.00519	0.5
193.01450	0.8
199.04083	0.6
211.04054	1.7
221.00708	0.5
227.03490	67.1
228.03862	2.8
229.05109	2.1
239.03561	0.6
241.04968	0.5
243.02991	0.8
255.02979	79.4
256.03568	9.4
257.04416	1.5
268.42056	0.5
284.03253	70.7
285.03989	22.5
285.07330	1.0
286.04245	1.1
300.02887	0.5
327.05124	1.0
340.08987	0.4
387.20294	0.9
403.19806	0.6
415.19800	3.2
429.21420	0.9
447.09302	100.0
447.22101	6.8
448.10037	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02376	0.8
65.00318	1.0
69.46851	1.7
69.47252	2.3
78.95341	0.6
93.50262	0.7
107.01398	2.7
108.02157	1.3
109.02950	3.2
121.02936	3.9
135.00926	0.9
148.01695	1.2
151.00352	16.3
159.04532	1.0
163.00346	2.3
178.99831	8.9
190.99673	0.8
197.01898	0.8
201.05574	0.9
211.03967	1.3
211.48293	0.6
212.31714	0.8
227.03436	3.6
229.04947	1.3
243.02963	6.7
245.04475	1.8
246.04848	0.8
254.02176	1.4
255.02966	24.3
256.03583	1.5
271.02466	41.0
272.02997	3.7
273.03952	2.0
282.70978	0.8
283.02469	2.8
299.02051	1.1
300.02728	100.0
301.03494	68.2
301.07047	1.7
302.03763	2.3
416.88559	0.7
447.09268	55.8
448.09552	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01909	0.3
57.03444	0.6
59.01376	14.9
61.98823	7.0
65.00331	0.4
67.73869	0.2
69.53060	1.0
70.73504	0.2
72.99303	0.4
73.02938	1.7
75.00858	0.4
83.01382	1.3
85.02961	1.4
87.00878	1.3
89.02446	2.1
93.03460	0.7
95.01377	0.6
96.96038	0.4
101.02440	2.4
107.01388	1.2
108.02200	0.3
109.02959	0.4
111.00883	0.4
113.02457	1.6
116.58151	0.3
119.03493	0.9
121.02913	0.4
123.00871	0.5
124.01649	0.4
125.02432	3.2
132.02150	0.4
133.02896	0.3
135.00882	0.7
137.02396	0.6
139.11261	1.0
149.02451	0.5
151.00343	2.6
151.03987	0.4
152.01144	0.4
153.01904	1.1
159.06567	0.3
159.50011	0.2
161.02394	0.9
161.04543	0.8
163.00356	0.8
164.01152	0.5
165.01909	0.3
166.02737	0.6
167.03506	1.3
169.01471	0.6
174.03220	0.4
175.03996	0.6
177.01959	0.9
178.99876	0.8
181.12350	0.9
183.04520	0.9
183.10266	1.2
183.13885	0.4
185.06078	0.6
187.03995	0.7
189.05566	0.3
192.00630	1.2
193.01418	3.3
199.03943	0.4
211.03941	1.6
211.11372	0.4
211.13376	6.7
213.05444	0.7
217.05000	0.3
221.00943	1.0
225.11339	0.7
227.03481	68.1
228.03853	3.0
229.05026	1.6
239.03430	0.8
241.04828	0.5
243.03024	0.7
243.12344	3.8
253.09317	0.7
255.02960	87.1
256.03592	10.5
257.04391	1.4
265.06866	0.3
269.04376	0.5
271.02567	0.4
284.03244	76.9
285.03958	21.6
285.07336	0.6
285.13196	0.4
285.17099	0.4
286.04333	1.0
289.61456	0.3
312.05008	0.4
319.04462	0.5
327.05148	1.3
329.13681	0.4
380.52017	0.3
387.20206	1.0
403.19666	0.4
404.13385	0.8
415.19522	0.8
447.09290	100.0
448.06097	2.0
448.09601	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89030	0.5
59.01377	4.4
61.98821	1.0
71.01394	0.5
75.85697	0.4
83.01371	0.5
93.03461	3.6
107.01386	1.2
108.02195	1.2
109.02970	1.0
121.02980	1.4
124.01688	0.6
136.01648	4.0
137.02448	4.3
149.02402	0.5
149.99553	0.7
151.00359	4.0
151.04065	0.7
155.74236	0.6
161.02432	1.9
162.03178	1.7
163.00354	0.5
163.04063	0.6
164.01147	10.9
165.01933	1.0
177.01950	1.3
178.99834	2.8
179.03465	3.2
190.02676	2.7
192.00644	100.0
193.01366	13.6
194.02190	4.6
205.01398	2.2
206.02240	2.5
207.02980	57.5
208.03352	2.1
209.04590	0.5
211.13412	1.9
221.00986	0.8
222.01645	0.9
227.03445	1.1
234.01682	7.6
235.02240	0.9
237.04106	1.1
239.05592	8.9
243.03004	1.9
245.04536	0.6
246.01750	0.6
249.04037	5.0
255.02971	6.4
271.02454	10.8
272.03012	1.0
274.07437	0.5
283.02505	0.7
284.03333	0.5
300.02756	17.5
301.03497	14.5
309.06064	1.3
312.04739	0.6
327.07278	2.4
397.48456	0.6
447.09290	31.3
448.09720	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	38.9
60.48761	0.6
61.98835	5.3
65.00311	2.1
69.39582	1.3
69.39989	2.6
71.01368	3.1
83.01377	1.9
85.02937	0.8
89.02429	0.9
91.05519	0.9
93.03460	0.9
97.02945	1.1
101.02465	1.4
103.05532	11.9
105.07137	0.8
107.01384	4.5
108.02165	7.7
109.02944	15.1
111.00897	2.0
113.02437	0.9
113.22317	0.6
119.05015	2.3
121.02948	2.6
123.00861	0.9
123.04535	2.0
124.01617	1.3
125.02412	4.0
131.52557	0.7
133.06540	1.0
135.04498	2.6
137.02443	1.1
137.06070	1.1
145.06557	1.3
146.03720	1.2
147.04521	15.0
148.01665	1.7
149.02409	1.4
149.06064	2.5
151.00352	13.3
151.04008	2.0
152.01138	8.5
153.01952	15.9
159.04552	1.4
160.05243	1.3
161.04660	0.7
161.06035	2.5
162.03223	6.0
163.00374	2.8
163.03995	6.5
164.01132	2.0
165.05591	2.4
167.03517	1.9
169.01515	0.7
174.03104	1.0
175.03958	0.8
176.01184	0.8
177.01921	2.2
177.05469	1.4
178.99814	7.3
189.05528	3.7
190.02652	0.7
191.03490	98.5
192.00633	9.1
192.03815	3.3
193.01352	1.7
193.05104	3.8
195.02974	34.0
199.03848	0.9
203.03479	1.2
205.05093	1.1
207.02992	5.0
211.03899	1.4
221.04611	1.6
225.05595	6.7
226.02808	0.9
227.03487	2.7
229.04921	1.2
233.04585	4.5
237.03947	0.8
239.03479	1.2
242.05894	2.0
243.02957	7.4
243.06674	1.4
245.04504	2.5
254.02121	0.8
255.02882	15.6
255.05098	36.7
256.05469	1.1
271.02475	36.5
272.02960	3.0
273.04041	0.9
283.02423	2.0
285.04059	1.4
289.07028	0.8
293.06525	0.9
299.01868	1.0
300.02734	65.7
301.03494	53.3
301.07080	1.1
302.03888	3.2
311.07706	2.1
343.21210	1.9
386.70398	0.9
405.11972	1.2
447.09299	100.0
448.09607	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01696	0.5
59.01376	2.7
61.98831	2.3
63.02385	0.5
65.00327	1.4
67.15796	0.4
69.28252	2.2
69.77937	0.5
71.01391	0.5
71.17833	0.4
83.01372	0.7
89.02447	0.5
89.04002	0.5
91.01888	1.1
91.05527	1.1
93.03455	0.9
101.02470	0.6
103.05533	7.0
105.03455	1.3
107.01408	2.3
107.04980	0.5
108.02171	1.9
109.02955	5.1
119.05042	1.2
121.02968	4.2
123.04497	1.5
125.02442	2.2
127.69491	0.4
132.02106	0.8
133.02968	6.1
135.00908	0.7
135.04535	2.3
137.02501	0.6
137.06053	0.7
139.04028	0.7
146.03755	0.8
147.04512	12.2
148.01680	3.7
148.04820	0.6
149.02438	6.4
151.00366	9.3
151.03954	0.6
152.01154	1.0
153.01965	2.3
159.04524	0.6
161.02444	0.8
161.06056	0.7
162.03206	2.8
163.00375	2.2
163.04007	4.6
167.03482	1.8
175.04034	1.2
176.01128	0.5
177.01926	61.8
178.02286	1.7
178.99855	4.2
179.03465	1.0
187.04036	0.7
189.05548	1.1
190.02690	0.6
191.03497	100.0
192.00645	1.9
192.03816	3.4
193.04994	0.9
194.02235	0.5
195.03014	2.2
199.04057	0.7
201.05508	0.7
207.02980	1.1
209.04512	1.4
211.03957	1.0
219.02928	1.0
226.02792	0.9
227.03516	1.6
229.05014	1.0
233.04503	1.9
243.02953	4.5
244.03310	0.8
245.04558	1.6
255.02980	12.8
255.05612	0.6
256.03403	1.0
269.06656	6.3
271.02478	24.4
272.02863	2.4
273.03928	1.1
283.02527	1.2
285.04108	1.6
293.06873	0.8
299.02066	0.6
300.02737	42.1
301.03488	32.0
302.03860	2.0
447.09283	44.4
448.09772	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	447.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01375	3.1
60.26675	0.5
68.71880	0.5
71.01376	5.5
73.02955	2.1
85.02952	2.8
89.02446	1.5
95.01399	0.8
96.96033	1.4
99.00858	2.4
101.02455	3.5
102.43442	0.5
108.02171	52.8
108.72685	0.5
109.02961	19.3
113.02460	2.4
123.00924	0.8
123.04540	3.1
124.01651	1.1
125.02436	1.9
126.89011	0.5
134.03717	0.6
135.04610	0.7
139.03984	0.8
151.04080	2.8
152.01152	92.4
153.01819	3.6
158.88306	0.4
161.04578	3.7
163.03978	3.2
177.01941	0.9
179.03479	0.6
207.03064	0.6
211.54466	0.5
271.08170	1.2
315.07278	1.4
327.07306	0.6
385.68823	0.5
404.53470	0.5
447.11389	100.0
448.11618	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09486	0.6
51.56404	0.6
55.01863	1.5
57.03453	4.8
59.01378	57.0
60.01711	1.1
61.01794	0.7
61.98828	58.4
67.01877	2.3
68.99809	2.2
69.03445	2.1
69.32096	2.7
71.01010	1.0
71.01381	18.5
72.01707	0.6
72.99304	5.2
73.02941	5.6
75.00872	16.1
81.03440	1.1
83.01397	5.1
83.05038	1.1
85.02951	15.6
87.00866	5.5
87.66351	0.7
89.02441	8.3
93.03432	1.9
95.01395	5.3
96.95996	4.1
96.96965	1.3
97.02927	1.0
99.00880	10.5
101.02444	5.9
103.00375	1.1
107.05079	0.7
108.02225	0.8
109.02934	1.4
111.00872	6.8
112.98785	1.1
113.02451	17.1
115.00379	1.4
117.01920	1.7
119.03516	1.3
122.03727	1.5
123.00880	7.2
123.04516	3.5
124.01620	1.1
125.02452	12.9
127.00407	3.8
129.01930	1.3
131.03487	0.8
136.98793	2.6
137.02460	3.5
137.06071	2.8
138.03227	18.0
139.00378	3.0
139.04007	1.4
141.01878	0.9
143.03520	1.0
149.02428	0.6
149.05960	0.7
149.09721	2.1
151.04027	1.8
152.17644	0.6
153.01945	1.2
153.05573	36.9
153.09192	2.1
154.02679	1.9
154.05865	1.0
157.01366	0.7
161.02480	1.4
161.04567	2.8
165.01950	0.8
166.99797	0.6
167.03500	2.7
167.10774	6.0
169.01442	0.9
169.48946	0.6
175.02469	1.8
175.03954	0.9
177.01950	4.7
177.05490	0.9
179.05568	1.9
182.02223	13.3
183.02885	1.8
189.04102	1.1
190.06383	0.9
192.04320	0.9
197.04544	65.0
198.04893	2.4
199.03906	0.8
205.08806	1.1
207.06656	1.4
208.07487	0.7
210.45483	0.6
217.05037	0.9
223.09763	2.8
225.11308	7.4
231.04982	3.1
243.03053	0.8
244.90955	0.6
249.00777	2.0
249.06137	31.0
249.11455	0.9
250.06433	0.8
257.06647	1.2
269.10269	2.6
271.08200	3.3
285.04236	1.2
285.07407	5.6
285.10120	1.0
287.05591	0.8
301.03876	1.2
303.05273	0.8
305.06635	0.9
385.15317	1.6
387.03934	4.7
387.08746	1.2
387.20258	0.9
401.14368	3.3
429.10129	4.8
447.11407	100.0
448.11688	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	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.8
59.01379	44.1
61.31834	1.0
61.98827	34.2
63.29945	1.1
68.99796	2.8
69.03440	3.3
71.01381	18.2
71.45390	1.0
72.99305	5.5
73.02936	4.4
73.39548	0.8
75.00874	14.1
81.03441	5.5
82.95419	1.5
83.01392	3.3
85.02949	12.8
87.00862	5.1
89.02446	6.6
91.05527	1.4
93.03462	3.1
95.01386	4.4
96.95998	1.5
99.00879	9.2
99.39944	1.2
101.02421	2.3
103.00368	1.6
107.04987	1.0
109.02959	4.5
109.06598	6.9
111.00853	2.9
111.04547	1.1
113.02445	14.2
115.00361	1.7
117.01929	2.9
119.03485	1.1
121.02956	2.7
122.03745	5.0
123.00875	3.2
123.04514	3.3
124.01692	1.4
125.02444	44.8
126.02770	2.3
127.00352	2.4
137.02444	5.2
137.06079	11.5
138.03249	6.8
139.00349	1.6
139.04053	2.3
149.02425	3.0
151.03954	5.8
153.02029	1.1
153.05582	40.6
157.01399	2.2
161.02437	3.4
161.04633	1.3
163.00316	1.5
165.01945	1.0
166.02692	2.2
167.03493	7.4
167.10779	1.6
169.01421	5.7
175.02548	1.3
175.04005	3.4
177.01930	16.1
178.02306	1.2
179.03506	1.4
182.02229	5.4
182.94597	1.1
183.02841	1.3
190.06270	1.3
191.58823	1.0
192.04340	2.3
197.04547	40.1
197.06354	2.2
199.03951	1.1
205.08749	1.7
207.06653	1.9
217.05086	1.0
221.66548	1.1
223.09705	1.7
225.11348	15.2
231.05113	3.0
243.02931	3.4
249.03622	1.9
249.06169	36.6
261.03827	1.2
266.45309	0.9
270.10980	1.3
271.08197	2.7
284.03268	1.2
285.04044	3.8
285.06921	1.4
285.09995	1.4
286.04562	1.5
287.05646	2.0
301.03769	2.1
303.05066	1.9
305.06641	1.9
385.15375	1.4
411.01965	1.1
423.07077	1.1
429.10065	2.2
447.11401	100.0
448.11685	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	5.6
59.01575	1.6
69.03325	47.7
69.27477	2.5
69.27884	1.4
70.03691	0.8
79.01763	27.4
79.02277	4.1
81.03358	1.4
83.01300	0.8
95.01243	2.5
97.02811	32.4
97.03501	3.0
106.51178	0.8
107.01248	74.2
108.02037	34.2
108.02841	2.5
109.02812	3.5
121.02821	3.2
123.00893	5.6
123.04380	0.9
125.02447	59.7
126.02679	1.5
133.02856	1.3
135.00883	74.0
136.01486	2.7
137.02386	1.3
145.02856	1.2
149.02321	1.3
151.00366	62.1
152.01154	81.8
153.01704	4.0
161.33644	0.7
163.03984	4.3
177.01903	6.9
178.99757	1.9
189.97603	0.7
197.06068	1.2
206.73178	0.8
211.13437	1.6
225.05498	0.9
227.03462	1.0
242.05835	78.7
243.06590	100.0
244.06970	4.4
255.03029	3.2
271.02505	5.4
285.07727	3.1
297.08014	0.8
300.02734	12.2
301.03445	9.0
339.07217	4.7
387.11191	2.7
429.51389	0.8
447.13535	32.8
448.13776	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	447.1293
Annotation	Siebolside A
Peak:m/z	Relative Intensity
59.01367	1.0
59.54771	0.2
59.69701	0.2
65.00318	0.6
69.32017	0.4
69.32422	0.7
80.02697	0.5
81.03435	0.3
82.97800	0.2
87.84180	0.2
91.01892	13.2
92.02231	0.3
93.03458	0.4
95.01398	0.2
99.73992	0.2
107.01380	0.6
107.05029	0.5
108.02171	23.2
109.02334	0.3
109.02970	4.3
121.02933	0.9
123.00888	2.7
124.01685	0.3
127.77703	0.2
135.00883	13.4
137.02446	3.6
149.02443	0.4
151.00368	0.4
152.01146	17.1
153.01657	0.4
177.01990	0.3
178.99858	0.4
197.06119	1.5
199.07678	0.5
213.05591	1.5
215.07176	0.8
241.05139	0.3
243.06598	100.0
244.06944	4.3
255.03064	0.8
271.02545	1.4
300.02765	2.3
301.03534	1.9
375.74411	0.2
387.10599	1.1
405.11978	0.4
440.14151	0.2
447.13702	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	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
62.96400	1.1
63.23735	0.3
70.90460	0.4
78.95898	39.2
96.96971	2.2
135.80170	0.4
149.00079	18.1
151.00432	0.7
158.92529	1.5
179.01167	1.7
202.81862	0.4
205.15968	1.0
240.63583	0.4
265.14398	0.7
267.11450	0.4
269.56055	0.4
271.02530	0.6
284.03302	0.4
285.04117	0.4
300.02704	1.3
301.03433	1.1
347.08185	0.6
417.12033	1.1
431.10095	2.1
447.13416	100.0
448.13834	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
57.03432	4.5
59.01374	44.8
61.98813	4.0
69.03468	1.3
71.01379	61.5
71.43618	1.2
72.99306	1.8
73.02943	23.6
75.00905	1.4
81.03433	2.0
81.38399	1.2
83.01392	6.9
84.07276	1.2
85.02946	33.3
87.00864	7.2
87.04504	1.2
88.00284	1.1
88.98795	2.4
89.02439	13.7
93.18461	1.1
95.01399	7.7
96.96013	22.0
97.02943	2.2
99.00884	5.6
101.02438	39.6
103.04002	6.5
108.02174	6.6
108.02818	1.1
109.02957	15.9
113.01789	0.8
113.02441	29.1
115.04022	6.2
119.03499	3.0
121.02927	2.9
123.00884	71.0
123.04522	1.3
124.01656	100.0
125.02504	9.9
131.03552	5.3
137.02509	1.5
138.02200	2.2
138.03223	36.2
139.04007	83.6
140.04352	1.7
143.03485	11.5
148.90993	1.2
149.02499	1.4
150.03212	1.3
151.04001	4.4
152.01157	14.7
153.01932	8.9
159.02962	6.7
161.04546	77.9
162.04814	1.4
163.06111	5.1
164.01176	1.3
166.02634	1.2
167.03462	2.0
174.58794	1.1
175.03934	1.8
177.01881	3.4
178.02676	2.3
179.03520	1.8
181.05040	4.9
190.02765	1.3
191.03371	1.1
192.00624	7.0
193.01372	2.5
193.05029	8.1
194.02223	1.1
205.07198	9.2
207.02940	2.8
222.01665	1.6
223.06032	2.3
234.01668	2.0
249.03958	2.1
283.08292	4.3
301.09265	31.7
305.06653	1.6
312.04724	1.3
315.07062	2.5
327.07294	9.3
447.01672	4.5
447.10349	8.3
447.15912	52.8
448.15390	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	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84917	1.2
54.66718	1.1
55.01898	1.0
57.03455	5.2
58.01394	1.0
59.01378	32.5
61.98820	7.0
68.99801	2.6
69.03452	2.4
69.95452	1.2
71.01379	24.5
72.99305	7.8
73.02939	9.1
75.00868	21.6
75.97233	1.1
83.01366	1.7
85.02952	24.1
87.00876	9.5
89.02436	6.1
93.03458	2.0
95.01386	6.7
99.00871	12.6
101.02450	1.5
103.00380	3.2
111.00921	1.3
112.01662	1.6
113.01698	1.9
113.02454	31.3
113.03239	1.8
115.00389	3.1
117.01962	4.4
125.02460	5.9
129.01981	1.9
135.08133	2.9
139.98903	1.0
150.65059	1.0
153.09213	57.5
157.01453	1.6
167.03511	1.7
175.02480	3.0
177.01929	4.2
179.63905	1.0
189.04033	1.0
197.08304	1.8
205.07224	1.7
206.21837	1.1
212.39040	1.0
231.05078	3.8
244.59883	1.1
249.06158	34.5
267.07220	17.8
268.07291	1.2
271.11795	2.1
275.75082	1.2
296.24719	1.0
336.53293	1.0
373.60938	1.1
385.15042	3.3
396.47165	1.4
403.16077	27.9
404.16132	2.0
429.14087	1.8
447.15042	100.0
448.15256	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	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36263	1.2
55.01873	2.7
57.03452	7.2
59.01377	97.0
61.98824	18.3
68.99809	1.4
69.03444	1.5
70.10541	2.7
71.01382	27.0
72.99300	4.3
73.02933	4.0
75.00870	17.3
78.95909	2.3
81.03479	1.4
83.01382	3.4
85.02948	21.9
87.00864	9.0
89.02437	10.2
91.52488	1.4
93.03399	1.7
95.01367	5.3
99.00867	11.8
101.02435	5.8
103.00368	2.0
106.13778	1.2
109.02926	4.8
112.01651	1.4
113.02438	27.6
115.00319	1.8
117.01899	4.2
119.03474	2.9
124.01637	1.9
125.02438	23.2
126.02852	1.5
128.54160	1.4
129.01917	1.9
135.08179	4.2
137.02411	2.5
153.01900	2.9
153.09206	29.4
161.02420	6.1
161.04515	4.1
165.01958	1.9
167.03500	2.7
169.01341	2.0
175.02502	3.4
175.03979	1.5
177.01941	4.2
177.05351	1.4
179.05582	1.3
183.10179	1.4
185.22055	1.2
197.08170	1.9
205.07094	2.5
206.52859	1.5
231.05081	3.1
232.11040	1.3
249.06157	28.4
255.05112	6.3
267.07190	31.5
270.07315	2.8
271.11893	2.2
285.04059	2.8
285.09717	5.1
287.05640	2.1
301.03528	1.9
309.03830	1.9
318.63416	1.4
385.14911	2.7
387.20190	6.9
403.16064	22.3
404.16287	1.8
417.10461	1.6
423.07187	1.4
427.44427	1.8
447.15015	100.0
447.22031	12.5
448.15207	7.0
474.69363	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	447.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59792	1.0
54.57850	1.0
55.01863	1.8
57.03452	10.0
59.01377	57.5
61.98829	8.0
62.93307	1.0
63.02384	1.2
65.00314	2.3
68.99796	1.2
69.03423	1.2
69.18303	6.0
71.01382	19.4
72.99276	1.3
73.02954	8.2
77.72522	1.2
81.03458	1.4
83.01388	7.8
85.02953	11.4
87.00867	2.8
89.02427	9.6
95.01397	2.6
96.96006	14.0
97.02939	1.6
99.00845	2.2
101.02444	15.7
105.03444	2.1
107.01383	4.5
108.02190	2.6
109.02951	22.0
111.00890	1.3
113.02446	12.0
119.03509	2.1
121.02957	4.2
124.01662	2.6
125.02442	79.6
126.02763	3.8
127.02904	2.0
133.02989	1.6
135.00887	1.1
136.01584	1.1
137.02397	2.4
139.00351	1.1
149.04501	1.2
151.00365	19.4
152.01141	1.5
153.01945	22.1
155.10770	1.4
159.04622	1.2
161.02440	32.8
161.04486	2.6
162.02742	2.0
163.00351	4.2
173.05951	1.8
175.04008	1.2
177.05597	2.8
178.99849	10.2
181.12329	1.4
183.04547	1.2
183.13846	4.8
185.05974	1.8
191.03456	1.4
199.04062	1.9
199.13422	6.6
201.05547	2.1
211.03976	2.1
211.13385	94.6
212.13713	2.2
217.78302	1.1
226.02594	1.6
227.03436	4.5
229.01326	1.1
229.04982	1.9
243.03014	13.1
243.06638	6.2
245.04535	3.3
253.09312	11.0
254.02180	3.1
255.00346	2.1
255.02956	28.8
255.05606	1.8
256.03360	1.5
269.04572	3.3
271.02448	55.6
271.06036	15.9
272.02991	3.2
273.04041	1.7
275.30493	1.0
276.82788	1.1
283.02380	1.4
284.03348	1.5
285.16910	1.3
287.05634	12.3
289.06058	1.2
299.02109	1.6
300.02737	100.0
301.03494	84.6
301.07068	2.4
302.03830	4.7
343.17566	6.6
348.54996	1.2
361.18640	29.6
362.19455	1.2
387.10794	20.6
387.19522	1.0
388.11078	1.4
403.19629	64.4
404.20007	3.9
405.11832	1.2
447.09256	85.0
447.22144	23.1
448.09650	5.6
448.22729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.47639	0.2
57.03452	2.9
58.00600	0.3
59.01379	33.8
60.01712	0.3
61.98824	1.2
65.00329	0.3
67.60304	0.2
69.03448	0.9
71.01381	47.3
72.01723	0.4
72.99309	1.0
73.02945	18.9
75.00877	1.7
81.03448	0.5
83.01385	8.5
84.01742	0.2
84.02185	0.3
85.02950	24.8
86.00092	0.5
86.03274	0.3
87.00876	2.0
89.02445	9.3
95.01389	3.3
97.02950	1.7
99.00880	7.3
99.04522	0.3
101.02444	45.5
102.02794	0.5
107.01383	0.6
109.02947	0.6
111.00887	1.7
113.02448	20.0
114.02808	0.3
115.04008	0.5
119.03506	0.3
121.02953	0.4
125.02440	2.4
129.01921	1.2
131.03505	28.4
132.03819	0.3
132.59030	0.2
137.02504	0.2
143.03510	2.8
149.04550	2.6
151.00381	2.1
153.12810	0.9
154.86926	0.2
159.03000	4.3
161.04556	28.9
162.04904	0.4
163.00372	0.4
167.03523	0.2
178.99866	0.9
191.05597	0.4
205.03502	0.5
211.13411	0.4
215.05608	0.2
223.13327	0.3
227.03499	0.4
229.05069	0.2
233.06683	0.8
243.03008	1.2
245.04539	0.2
249.14990	0.3
255.02971	3.2
271.02469	5.6
272.02957	0.3
273.04144	0.2
283.02536	0.2
293.08795	0.3
300.02728	9.5
301.03506	7.8
302.03815	0.5
315.18103	100.0
316.18433	5.8
359.17166	0.9
410.81284	0.2
438.23285	0.2
447.09366	7.4
447.22333	34.9
448.09665	0.5
448.22601	2.9
465.98941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62106	0.2
55.01879	0.3
58.00558	0.2
59.01376	11.2
61.98818	0.8
63.02363	0.3
63.16047	0.2
65.00311	0.5
71.01379	4.9
73.02940	2.4
83.01373	1.2
83.05017	0.5
85.02975	1.3
87.00866	0.3
89.02444	3.4
91.01880	0.3
91.15632	0.2
93.03477	0.3
95.01376	0.6
95.91705	0.2
98.22619	0.5
99.00860	0.9
100.55133	0.2
101.02448	5.1
103.03973	0.3
107.01393	1.4
108.02145	0.7
109.02946	1.0
113.01828	0.2
113.02460	2.4
119.03489	1.1
121.02936	1.1
125.02442	0.7
134.99884	0.2
135.00899	0.4
139.04048	0.3
143.03456	0.3
148.01627	0.6
149.04539	0.2
151.00362	5.1
151.03941	0.3
155.10777	0.3
159.04462	0.4
161.04533	2.3
162.51825	0.2
163.00407	1.2
164.01125	0.4
167.10724	0.3
167.14381	0.5
169.01384	0.4
171.04022	0.2
173.06241	0.2
178.99835	2.4
179.05579	0.5
183.12321	0.4
183.13893	6.2
183.96425	0.2
184.14233	0.3
187.03966	0.3
192.00716	0.3
192.42191	0.3
193.12267	1.3
199.03963	0.5
201.05603	0.3
211.03996	0.7
211.13382	100.0
212.13681	3.8
215.03473	0.4
226.02722	0.5
226.11258	0.3
227.03438	1.6
229.05011	0.4
235.08195	0.6
235.52435	0.3
241.13535	0.6
241.18068	0.2
243.02963	3.4
245.04593	0.7
251.24068	0.2
253.09282	11.5
254.02252	0.7
254.09584	0.3
255.02953	8.2
256.03482	0.7
271.02463	17.1
272.02835	0.8
273.04102	0.5
283.02362	1.1
284.03116	0.5
285.03998	0.9
285.12332	0.4
285.16983	1.3
299.02005	0.6
300.02728	30.2
301.03500	22.8
302.03720	1.4
315.18213	1.7
364.10110	0.3
369.41345	0.3
387.20029	0.3
391.13107	0.3
403.23276	0.3
447.09299	25.0
447.22110	8.2
448.09460	1.8
448.22482	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	447.2231
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01877	3.3
56.18259	0.9
57.03446	2.5
59.01378	100.0
60.01707	0.9
61.98823	1.5
70.97926	1.4
71.01380	64.7
72.99294	1.9
73.02948	20.2
75.00864	1.8
76.95838	1.0
81.03455	1.0
83.01382	4.5
85.02956	15.8
87.00874	2.7
89.02444	86.0
90.02775	1.2
95.01388	4.1
97.02936	1.4
99.00881	14.5
101.02443	47.6
111.00920	1.1
113.02461	22.3
115.03992	1.6
119.03491	22.3
125.02454	5.2
129.01993	0.9
131.03500	12.5
143.03493	4.1
149.04550	27.8
151.00394	2.0
161.04553	9.4
179.05611	9.2
191.05594	11.1
205.16040	1.2
221.06528	1.1
233.06696	2.2
243.03021	1.1
249.14951	5.1
251.07822	2.2
255.03026	1.8
271.02405	5.3
300.02710	9.0
301.03543	6.0
311.99704	1.0
315.18091	14.0
334.49817	1.1
364.96558	1.0
411.20178	1.6
447.09329	6.4
447.22336	51.3
448.22610	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	1.1
61.49854	0.4
61.98824	0.6
62.61012	0.5
69.15763	1.2
69.16174	1.7
71.01380	8.3
73.02956	0.9
75.04041	0.5
83.01389	0.6
85.02982	1.2
87.00891	0.6
89.02444	13.9
93.69967	0.5
96.96036	1.1
101.02439	4.6
105.35308	0.5
113.02454	3.3
119.03497	5.4
131.03500	0.7
139.11307	0.9
143.03525	1.5
161.04622	2.4
162.10469	0.5
179.05603	5.8
181.12262	0.5
183.10271	1.0
195.08275	0.5
211.13342	3.4
227.03490	8.4
237.34288	0.7
243.12375	6.8
255.02945	10.2
256.03766	1.6
284.03284	8.7
285.03882	3.1
387.20352	1.0
447.09338	15.5
447.22446	5.7
448.09610	0.8
458.22510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20777	0.3
55.01871	0.4
57.03431	0.3
59.01377	100.0
60.01729	0.5
61.98822	0.7
71.01379	6.9
73.02940	1.7
77.13736	0.3
83.01387	0.9
85.02953	2.5
85.21651	0.3
87.00883	0.4
88.03263	0.3
89.02440	6.1
95.01395	0.5
97.02924	0.5
99.00847	0.4
101.02438	5.9
113.02431	3.9
119.03506	2.8
125.02490	1.1
135.00325	0.3
136.13901	0.3
143.03537	1.1
159.03003	0.7
161.04559	8.1
161.05827	0.6
179.05614	2.0
211.13477	0.4
256.08472	0.4
296.15512	0.3
387.20227	11.5
388.20865	0.5
435.15710	0.3
447.09616	0.5
447.17014	0.4
447.22296	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03444	3.8
58.00601	0.3
59.01376	100.0
59.80614	0.2
60.01719	0.6
60.58888	0.2
61.98825	6.9
68.99837	0.3
69.03446	0.9
71.01379	13.7
71.05018	0.3
71.43935	0.3
72.99309	1.0
73.02943	14.1
75.00867	1.6
82.95394	0.2
83.01382	3.5
83.05020	0.6
85.02946	5.4
87.00886	1.1
87.04529	0.5
89.02441	6.0
93.03451	0.3
95.01385	1.4
96.96008	1.8
96.96970	0.3
97.02940	0.6
97.06575	0.3
99.00877	1.7
101.02441	10.8
102.02782	0.4
103.04008	0.5
109.02943	0.5
111.00879	0.6
112.05321	0.7
113.02447	8.0
113.03245	0.4
117.01944	0.5
119.03519	2.2
120.03767	0.2
123.00896	0.7
123.03255	2.1
123.04519	0.2
123.08215	0.3
124.01671	0.5
124.03627	0.7
125.02454	2.0
125.06123	0.5
127.00415	0.3
131.03519	0.8
133.02922	0.3
134.07394	1.0
135.08165	1.0
136.98766	0.3
137.02483	0.7
137.09763	0.8
138.03299	2.5
138.05605	21.6
139.00394	0.7
139.05969	11.5
139.07520	1.2
139.11247	0.3
143.03519	1.0
149.04561	0.7
149.09709	10.9
150.10066	0.2
153.01987	0.7
153.05565	4.4
153.09206	6.5
154.01436	3.1
154.02664	0.3
155.03528	0.4
161.04544	3.0
163.04149	0.3
163.06186	0.5
164.04729	0.3
166.02748	0.9
167.03577	0.4
167.10765	20.1
168.11163	0.8
171.10373	0.2
173.02884	0.3
175.04050	0.3
179.05661	0.6
181.05115	0.8
182.02222	1.4
190.06357	0.7
192.04367	1.2
197.04533	7.0
205.08736	0.8
207.06625	1.4
207.13864	0.6
208.07364	0.3
209.11832	0.8
225.11290	0.5
225.14917	2.2
232.11769	0.3
243.16000	3.6
249.06165	3.3
267.08704	0.3
271.02563	0.5
271.08429	0.4
285.09714	1.2
300.02762	0.6
301.03613	0.8
332.07379	0.3
333.15494	0.3
387.04187	0.3
387.20264	3.8
401.14590	0.8
405.16995	0.3
405.21201	1.3
429.10284	0.3
433.75931	0.2
447.11487	9.1
447.17816	4.5
447.22729	1.0
448.11093	1.1
448.17261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03448	1.6
59.01377	100.0
60.01700	1.0
60.13886	0.7
60.74954	0.6
61.98827	2.2
69.21794	3.6
71.01378	12.5
72.99310	0.8
73.02942	3.6
77.74716	0.6
83.01398	1.2
85.02942	4.8
87.00893	1.6
89.02433	6.5
93.65180	0.7
98.22698	1.1
99.00916	1.3
101.02432	8.8
101.03014	0.9
109.02935	0.7
113.02457	5.1
119.03542	2.5
125.02444	4.3
143.03525	0.9
152.03584	1.7
153.03888	0.8
159.03023	1.5
161.02554	1.0
161.04547	10.9
161.05803	0.6
167.03520	0.9
177.01944	1.8
177.05557	0.7
179.05617	1.6
182.27812	0.6
193.05196	0.8
255.05205	0.9
276.87177	0.6
281.14154	1.6
285.09900	0.9
374.59866	0.7
375.73019	0.6
387.20264	17.2
388.20557	0.8
447.22809	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2386
Annotation	Leucosesterterpenone
Peak:m/z	Relative Intensity
59.01371	4.3
59.84321	4.0
59.96374	4.1
61.98833	5.6
70.98580	4.9
72.46351	3.6
87.64060	3.4
90.18267	3.9
95.01373	5.9
108.02177	47.1
122.03749	17.3
124.01671	4.8
135.04535	8.2
150.03223	5.1
162.83902	3.7
163.03955	6.0
195.48386	3.8
246.88560	4.8
255.02916	8.1
270.52872	3.9
271.02539	21.0
285.04092	6.6
300.02722	25.2
301.03500	23.1
316.23984	9.7
341.24628	6.6
357.24365	16.2
359.21771	7.8
359.25934	100.0
360.26004	8.8
385.23605	31.0
402.99689	4.3
403.24686	33.9
411.10364	9.4
429.22778	96.0
429.60742	4.3
430.23239	6.4
447.09409	35.7
447.23807	92.8
448.09482	6.2
448.24194	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90523	0.5
59.01374	1.0
59.62597	0.7
69.89262	1.3
69.89605	1.1
76.33717	0.6
78.95902	12.6
96.96978	1.0
110.98562	3.8
124.27679	0.7
151.00374	0.9
152.99580	14.9
153.00771	1.2
167.01157	1.9
185.02162	3.2
204.53763	0.7
208.97591	1.4
225.00763	2.6
255.02969	1.0
259.68893	0.6
271.02429	2.6
279.23285	100.0
280.23590	6.5
284.03214	0.6
284.44974	0.6
285.03995	1.3
293.17432	0.7
300.02777	4.6
301.03586	3.7
447.09131	4.2
447.25012	8.8
448.25577	0.8
471.59372	0.6
474.14557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
64.09830	0.4
67.80684	0.4
68.21284	0.4
69.82082	1.2
78.95905	7.1
82.10708	0.4
110.98525	5.5
142.88560	0.4
143.88988	1.2
152.99583	0.7
159.89366	0.7
160.89313	2.5
163.35893	0.4
167.01138	1.1
185.02211	4.1
208.97620	0.8
225.00829	1.9
238.34210	0.4
243.01920	0.6
261.21915	0.4
279.23273	100.0
280.23657	5.6
292.95023	1.0
293.17447	0.7
300.02649	1.2
301.03464	0.9
306.96628	0.5
320.40994	0.5
387.15805	0.7
447.12509	9.1
447.25027	8.1
448.12369	1.5
448.25656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.275
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
52.74197	2.1
59.01370	6.4
71.24898	2.1
78.95896	7.2
79.98067	2.4
83.30808	2.2
85.61015	2.3
96.82954	2.2
110.98586	3.2
122.03737	4.8
123.04480	3.0
136.05299	69.0
149.06050	26.5
152.99608	3.0
163.07634	5.4
177.09236	6.4
191.10770	7.4
205.12318	5.2
240.98949	2.6
247.17068	4.2
265.13986	2.7
271.02441	5.4
279.23285	98.5
280.23761	6.9
285.03995	5.6
289.21771	2.6
300.02692	12.8
301.03485	10.2
343.26483	4.1
344.27234	9.6
357.28293	3.1
359.29550	97.7
360.29932	9.5
381.95999	2.5
385.27466	8.4
403.28571	30.1
404.28812	4.3
411.10596	4.6
429.26505	24.1
430.26947	3.0
447.09363	8.8
447.27499	100.0
448.27856	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	447.3474
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
55.43778	0.8
59.27385	0.9
70.24995	0.9
76.01141	1.0
101.53874	0.9
109.15176	0.8
111.07305	0.9
121.06597	9.7
136.05305	5.2
149.06075	100.0
150.06412	3.1
151.00388	0.9
162.06818	2.0
163.11307	2.6
175.07645	4.0
217.58560	0.9
235.44525	0.8
271.02518	2.3
273.86670	0.9
300.02716	2.7
301.03622	2.8
339.23196	1.1
359.26035	0.9
388.57895	1.0
431.04053	1.0
432.32425	9.5
447.09320	2.5
447.34778	56.4
448.35001	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.6
59.01379	20.2
60.01706	1.7
61.98830	38.7
67.01869	0.7
69.03448	1.4
71.01388	3.3
79.01841	0.7
81.03446	2.1
83.01385	1.9
85.02951	1.6
89.02438	3.4
93.03472	1.0
95.01373	1.5
95.05035	1.0
97.02959	1.8
101.02435	2.7
105.03483	0.5
107.01390	7.4
109.02945	7.3
113.02456	1.7
117.09342	0.7
119.03488	0.8
121.02995	3.8
121.03810	0.9
123.00884	7.9
123.04533	5.1
124.01682	5.7
125.02448	100.0
126.02777	5.0
133.02943	1.0
135.04553	1.1
136.98781	0.7
137.02432	8.1
138.03206	1.4
139.00380	0.7
139.03986	4.5
141.01956	0.9
145.02950	1.2
145.96825	0.6
149.02441	5.1
151.00368	3.9
151.03996	6.8
153.01929	2.3
153.05629	0.6
159.04524	1.5
161.02452	2.2
161.04639	1.4
161.06035	1.5
162.02914	0.9
163.00412	1.6
163.04024	1.5
164.01067	1.2
165.01952	3.2
165.05632	0.8
166.02719	2.1
166.99904	0.7
167.03499	27.9
168.00641	2.6
168.03867	2.2
169.01421	44.1
170.01756	2.2
175.00288	1.0
175.03999	4.0
176.01166	0.9
177.01924	25.6
178.02338	2.1
179.03444	1.3
179.05627	1.1
187.03976	2.3
191.03474	1.1
193.01402	5.5
199.03960	1.2
201.05605	1.0
203.03383	0.8
203.07114	1.6
205.01427	1.0
205.05125	1.4
211.04041	1.1
213.05542	0.9
217.05075	1.5
219.02902	0.6
225.05563	0.7
225.11423	0.8
226.11617	1.0
227.03549	1.1
227.07219	1.0
228.04321	1.1
229.05115	1.3
231.02985	0.8
243.02945	3.3
243.06679	1.2
245.08209	1.4
255.02966	4.1
256.03653	1.6
257.04456	2.1
259.06052	1.1
269.04633	2.3
271.06174	2.3
273.04031	0.9
281.04440	0.7
283.02615	0.9
285.04044	5.1
286.04327	1.0
287.05624	2.8
287.09250	2.3
289.07150	9.1
290.07465	0.9
301.03424	1.1
303.05148	4.5
319.04587	14.2
320.05081	1.2
331.04697	0.8
372.06686	2.2
372.56857	1.2
389.06766	1.2
407.07706	17.6
408.07980	3.4
423.07321	1.7
441.08102	3.5
449.07956	2.3
449.20294	1.2
467.09717	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	448.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.6
59.01379	20.2
60.01706	1.7
61.98830	38.7
67.01869	0.7
69.03448	1.4
71.01388	3.3
79.01841	0.7
81.03446	2.1
83.01385	1.9
85.02951	1.6
89.02438	3.4
93.03472	1.0
95.01373	1.5
95.05035	1.0
97.02959	1.8
101.02435	2.7
105.03483	0.5
107.01390	7.4
109.02945	7.3
113.02456	1.7
117.09342	0.7
119.03488	0.8
121.02995	3.8
121.03810	0.9
123.00884	7.9
123.04533	5.1
124.01682	5.7
125.02448	100.0
126.02777	5.0
133.02943	1.0
135.04553	1.1
136.98781	0.7
137.02432	8.1
138.03206	1.4
139.00380	0.7
139.03986	4.5
141.01956	0.9
145.02950	1.2
145.96825	0.6
149.02441	5.1
151.00368	3.9
151.03996	6.8
153.01929	2.3
153.05629	0.6
159.04524	1.5
161.02452	2.2
161.04639	1.4
161.06035	1.5
162.02914	0.9
163.00412	1.6
163.04024	1.5
164.01067	1.2
165.01952	3.2
165.05632	0.8
166.02719	2.1
166.99904	0.7
167.03499	27.9
168.00641	2.6
168.03867	2.2
169.01421	44.1
170.01756	2.2
175.00288	1.0
175.03999	4.0
176.01166	0.9
177.01924	25.6
178.02338	2.1
179.03444	1.3
179.05627	1.1
187.03976	2.3
191.03474	1.1
193.01402	5.5
199.03960	1.2
201.05605	1.0
203.03383	0.8
203.07114	1.6
205.01427	1.0
205.05125	1.4
211.04041	1.1
213.05542	0.9
217.05075	1.5
219.02902	0.6
225.05563	0.7
225.11423	0.8
226.11617	1.0
227.03549	1.1
227.07219	1.0
228.04321	1.1
229.05115	1.3
231.02985	0.8
243.02945	3.3
243.06679	1.2
245.08209	1.4
255.02966	4.1
256.03653	1.6
257.04456	2.1
259.06052	1.1
269.04633	2.3
271.06174	2.3
273.04031	0.9
281.04440	0.7
283.02615	0.9
285.04044	5.1
286.04327	1.0
287.05624	2.8
287.09250	2.3
289.07150	9.1
290.07465	0.9
301.03424	1.1
303.05148	4.5
319.04587	14.2
320.05081	1.2
331.04697	0.8
372.06686	2.2
372.56857	1.2
389.06766	1.2
407.07706	17.6
408.07980	3.4
423.07321	1.7
441.08102	3.5
449.07956	2.3
449.20294	1.2
467.09717	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	448.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
59.01374	0.8
61.98827	100.0
64.61106	0.4
66.02725	0.4
69.95248	0.5
71.01353	0.4
76.26785	0.4
93.03477	0.6
96.96043	1.6
101.02425	0.5
109.02971	1.4
109.06542	0.5
113.02338	0.5
123.00883	0.7
124.01718	1.1
125.02438	11.3
126.02776	0.6
127.24969	0.4
137.02475	1.7
138.03265	1.9
139.03984	0.6
149.02489	0.6
150.03197	0.7
151.04057	1.5
153.01993	0.7
161.02461	0.8
161.06107	1.2
163.04060	0.7
165.01941	1.5
167.03514	2.1
169.01410	2.5
177.01921	3.6
179.07124	14.2
180.07449	0.6
190.69640	0.5
193.01328	0.6
223.06097	9.0
243.02972	1.2
305.06769	1.4
385.11359	13.6
448.11877	1.2
449.16376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98829	100.0
69.41929	1.4
83.17641	0.3
91.11170	0.3
94.54768	0.3
96.96024	1.3
114.90757	0.3
115.26338	0.3
124.01675	0.8
125.02438	1.0
137.02472	1.0
138.03229	1.7
161.06126	0.8
163.04050	0.5
179.07133	13.6
180.07460	0.5
193.01021	0.4
223.06108	9.7
253.10516	0.4
366.45261	0.4
385.11377	13.3
386.11819	0.8
392.31149	0.4
397.27771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.29323	0.3
59.01373	4.7
61.98829	100.0
69.03433	0.3
70.42129	0.2
71.01395	1.7
71.44216	0.3
73.02950	0.7
75.00877	0.6
85.02963	0.9
89.02458	0.6
96.95999	0.3
99.00875	0.5
101.02449	1.4
102.13526	0.2
109.02969	0.8
113.02460	0.9
119.63800	0.3
123.00938	0.5
123.04490	0.5
125.02455	5.9
125.03309	0.5
126.02821	0.6
137.02490	0.6
137.06073	0.4
138.03230	0.4
138.06371	0.3
139.04088	0.3
146.70276	0.3
149.02412	0.3
151.04054	0.9
153.02043	0.3
153.05627	0.7
154.05957	0.6
161.02440	0.3
161.04594	0.5
165.01944	0.4
167.03516	1.3
169.01463	1.5
177.01936	1.9
178.02254	0.3
179.10791	0.3
191.03665	0.3
197.04597	1.2
198.04982	0.9
205.08745	0.4
212.54584	0.3
223.09772	3.2
225.11337	0.3
226.11736	0.3
243.03018	0.7
249.06223	0.4
250.06607	0.6
259.26956	0.3
259.44385	0.3
269.10391	1.2
270.10779	0.5
326.95444	0.3
385.15030	2.2
401.14584	1.6
402.14975	0.9
423.07315	0.4
431.19315	0.3
435.35562	0.3
448.11789	3.9
448.18536	0.5
449.20819	0.4
467.32880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
55.73254	0.4
59.01378	5.1
61.98827	100.0
64.18924	0.3
66.21511	0.3
69.30341	1.3
69.30735	0.8
71.01385	3.1
72.01713	0.3
73.02940	1.1
83.01389	0.5
85.02978	1.1
87.00877	0.9
89.02441	1.0
98.21861	0.7
101.02445	1.4
109.02946	0.3
113.02490	0.6
117.10313	0.4
123.04514	0.4
125.02450	1.5
167.03563	0.4
177.02005	0.5
178.02412	0.4
223.09763	2.5
227.03481	3.3
228.03838	4.4
233.11925	0.7
251.12878	2.2
255.02946	4.0
256.03333	6.7
257.03970	0.6
269.08316	0.3
284.03214	2.3
285.03641	5.2
286.04376	2.0
307.15414	0.4
330.14243	0.5
385.15063	1.4
413.18124	3.6
416.20102	1.6
430.21454	0.5
447.22034	0.9
448.09662	12.8
448.22653	9.5
449.09967	0.8
449.19504	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	448.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70108	0.2
57.03441	0.7
59.01385	2.4
61.98829	100.0
65.00320	0.3
69.98262	0.4
69.98591	0.3
71.01384	0.8
73.35847	0.2
74.99116	0.3
75.00878	0.2
83.01418	0.4
85.02961	0.5
87.00818	0.2
87.21674	0.2
88.60941	0.2
89.02449	0.3
93.03474	0.5
95.01398	0.2
97.06557	0.2
101.02471	0.3
107.01388	0.4
108.02196	0.3
109.02962	1.7
113.02479	0.4
114.02706	0.2
118.98091	1.9
123.04560	0.3
124.01665	0.2
125.02444	5.1
126.02792	0.5
135.04527	1.8
137.02461	1.1
137.09795	0.3
139.04060	0.3
143.54158	0.2
149.02521	0.2
151.00363	2.6
152.01152	0.8
153.01942	2.2
154.02316	0.3
155.10831	0.7
161.02483	0.5
161.04477	0.2
165.01851	0.2
167.03503	2.3
169.01411	0.8
175.00378	0.2
177.01906	1.5
178.02365	0.2
179.03494	0.2
188.10985	0.2
203.97115	0.2
217.05067	0.2
243.03021	0.3
243.72981	0.2
269.04532	0.8
281.06744	0.7
285.04037	0.2
286.04547	0.3
287.05618	2.6
287.08740	0.2
291.16019	0.3
303.05270	0.3
305.06674	0.3
319.04608	0.6
337.31876	0.2
346.14502	0.3
377.67361	0.2
385.15298	0.3
423.07315	0.5
449.11050	1.0
449.16507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32585	2.0
61.98828	100.0
69.48811	2.0
71.44129	2.5
74.64187	1.9
76.25295	2.1
78.95886	4.8
90.10960	2.0
123.04482	2.2
124.82539	2.0
152.99666	7.0
164.61836	2.2
165.34833	2.4
240.25520	2.8
448.09912	4.0
449.25555	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.7
60.01697	0.7
61.98829	100.0
69.03419	0.3
70.16677	0.5
71.01377	3.4
73.02949	1.4
83.01426	0.4
85.02961	1.2
89.02451	2.1
99.00864	0.4
101.02456	2.3
102.02775	0.4
109.02960	1.0
109.06559	0.3
113.02433	1.7
119.03504	0.5
125.02419	1.4
132.03726	0.3
147.11020	0.3
153.01895	0.7
161.04558	1.5
167.03415	0.4
167.10822	0.9
177.01981	0.3
179.05727	0.4
269.10382	1.4
270.10742	0.5
310.83966	0.3
334.87637	0.4
350.10715	0.4
376.33829	0.3
386.72510	0.3
401.14484	4.6
402.14862	3.4
405.21216	0.7
449.07510	0.3
449.20135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.3
59.01373	2.4
61.98827	100.0
65.00338	0.3
69.52002	0.5
69.52394	0.6
71.01374	0.5
81.03454	0.4
83.01392	1.3
87.26847	0.3
93.03463	0.3
94.17216	0.3
95.01392	0.3
101.02469	0.3
101.97755	0.3
107.01367	0.9
109.02944	4.0
117.03490	0.4
121.02966	0.4
123.00898	0.6
124.01722	0.3
125.02442	20.5
131.05070	0.4
137.02423	0.6
139.04008	0.7
149.02440	1.9
151.00363	4.2
151.04007	0.4
152.01160	1.1
153.01939	5.8
153.03113	0.5
154.02280	0.5
161.02403	0.7
163.00453	0.4
167.03499	3.2
169.01440	1.7
173.06151	0.8
175.04059	0.9
177.01949	2.2
177.05569	0.9
178.99847	2.2
179.03511	0.8
194.05791	0.5
195.06169	0.4
197.06105	0.5
199.07697	0.5
201.05637	0.7
215.07175	0.8
223.47948	0.4
225.05605	0.6
225.11424	0.4
241.05109	0.5
243.02977	0.6
243.06720	0.9
253.07166	0.8
254.07448	0.7
255.02873	0.7
259.06100	12.6
268.15732	0.3
269.04501	10.4
270.07089	0.9
287.05600	9.3
287.08777	0.5
303.05203	0.5
311.05603	0.6
319.04596	1.0
342.05814	0.4
423.07147	1.3
433.12634	0.6
448.15448	0.8
449.10840	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01377	10.2
60.01704	0.9
60.21025	0.3
61.01812	0.6
61.98828	100.0
69.76561	0.9
70.69872	0.3
71.01376	1.6
73.02963	0.8
82.38960	0.3
83.01340	0.3
85.02977	0.6
87.00841	0.3
89.02451	1.1
95.01388	0.5
97.14550	0.3
101.02466	1.0
109.02964	1.0
109.76928	0.3
113.02477	0.9
113.51836	0.3
119.03494	0.3
123.00916	0.4
123.04520	0.3
125.02454	2.2
133.03008	0.3
137.02492	0.4
139.00514	0.3
147.04573	0.4
151.04019	0.4
153.01959	1.6
161.02415	0.4
161.04607	0.8
163.05177	0.4
165.01949	0.5
167.03564	0.5
168.00760	0.3
169.01489	1.1
173.73312	0.3
175.04012	0.4
177.01930	3.1
177.05605	0.3
192.27364	0.3
197.92784	0.3
207.03027	0.4
211.02560	0.7
224.13828	0.3
243.06647	0.4
253.07472	0.3
271.04645	0.6
287.05841	0.4
316.02496	0.3
388.20663	0.5
405.21643	0.3
423.07364	0.3
448.22852	1.3
449.06680	3.5
449.20551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60887	0.3
57.03442	2.2
59.01382	6.7
60.01732	0.7
61.98828	100.0
65.00322	0.5
69.30365	1.2
69.30775	0.8
71.01389	1.3
72.13237	0.3
73.02985	0.5
73.04437	0.3
79.37748	0.3
81.03440	0.6
83.01385	1.1
85.02940	0.6
89.02458	0.9
93.03419	0.4
101.02441	0.9
107.01392	0.8
109.02952	8.7
109.12770	0.3
113.02460	0.8
121.03022	0.4
123.00925	1.3
124.01674	0.7
125.02450	19.1
137.02412	1.0
138.03265	0.3
139.04034	1.0
149.02464	1.3
151.00360	2.9
151.04077	0.7
152.01100	0.4
153.01920	8.7
161.02510	1.1
161.04562	0.6
166.02797	0.4
167.02171	0.3
167.03488	5.3
169.01419	3.6
173.05978	0.5
175.03992	0.7
175.60542	0.3
177.01918	3.8
177.05576	0.6
178.99895	1.6
179.03535	0.4
192.98878	0.3
193.01465	0.6
199.04065	0.5
217.05058	0.5
243.03122	1.3
243.06721	0.5
255.03130	0.6
259.06110	6.3
269.04547	6.0
283.02451	0.6
285.04105	0.8
287.05612	5.5
303.05072	0.7
305.06717	0.5
319.04590	2.8
387.20242	0.5
388.20587	0.5
423.07330	2.5
424.07629	0.6
448.22787	1.1
449.10974	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98829	100.0
67.33140	0.4
69.46791	1.0
71.01392	0.4
75.00888	0.3
78.91878	0.4
93.03480	1.4
118.98091	0.9
121.02940	0.6
125.02451	1.1
134.03362	0.4
137.02437	2.0
138.03291	0.4
149.02385	0.5
151.00388	1.0
167.03540	0.7
177.01926	3.4
178.02245	2.5
178.99873	0.3
180.00575	0.4
191.03485	2.2
192.00601	0.4
192.03859	1.7
209.04498	0.4
228.03893	0.4
244.03218	0.6
255.03014	0.7
256.03275	1.6
271.02579	1.3
272.02838	2.8
300.02765	2.4
301.03177	7.6
302.03815	3.9
327.06989	0.4
448.09631	6.3
449.10538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07447	0.4
53.87411	0.3
53.92331	0.4
59.01376	1.8
61.98827	100.0
62.36418	0.3
62.40160	0.3
69.11523	2.2
98.22591	0.8
101.02507	0.3
102.75854	0.3
125.02444	0.8
138.41887	0.3
151.00432	0.4
179.83328	0.3
255.02921	0.5
256.03262	0.9
271.02707	0.6
272.02844	1.4
282.23874	0.3
300.02768	1.1
301.03165	3.7
302.03860	1.9
352.41342	0.3
448.09583	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	448.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96210	4.9
54.70792	4.9
57.03436	14.7
59.01380	92.0
61.98820	11.1
64.60035	4.6
67.17452	4.6
69.04759	5.0
69.27576	26.5
71.01394	25.6
73.02935	10.3
85.02962	8.2
89.02448	42.7
92.03903	5.6
94.90712	5.6
101.02446	29.6
109.02945	14.6
110.19804	5.1
113.02447	10.7
115.13043	5.8
116.94927	5.2
119.03506	27.4
125.02454	55.6
140.06171	8.6
140.07172	100.0
143.03465	7.8
149.09717	10.8
151.04018	9.5
153.01868	12.3
160.06096	6.1
160.67711	5.5
161.02388	7.2
161.04506	17.1
165.42134	6.1
167.03458	16.5
167.10780	40.6
169.01425	27.0
177.01981	13.7
179.05573	19.2
187.68303	6.3
225.14890	10.6
242.99074	6.2
243.02994	10.6
243.15927	7.6
303.04919	5.7
319.04526	6.3
405.21310	44.6
448.22147	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	448.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05428	0.5
57.03442	1.8
59.01376	100.0
60.01713	11.2
61.01788	0.6
61.98827	23.6
71.01376	8.6
72.01707	1.3
73.02944	2.0
74.03304	0.9
76.53809	0.5
79.71602	0.6
83.01393	1.2
85.02930	3.2
89.02435	6.1
89.08761	0.5
90.02799	1.3
92.01323	0.6
95.01428	0.5
99.00874	0.9
101.02428	6.1
101.02988	0.5
102.02814	1.8
107.05035	1.2
109.02982	2.4
113.02439	3.8
114.02802	1.1
118.98128	1.7
119.03496	2.5
123.00912	0.7
125.02451	6.2
126.02802	0.7
137.02490	1.0
151.00395	1.0
151.04045	2.1
153.01923	4.1
161.02487	1.2
161.04553	6.9
161.05673	0.7
162.04974	1.7
167.03531	1.9
169.01509	1.0
177.01953	2.0
179.05650	1.0
181.71242	0.6
212.13762	0.6
226.00174	0.6
251.47557	0.5
287.05774	1.1
287.15161	1.6
288.06357	0.6
375.60583	0.5
387.20474	1.7
388.20535	11.7
389.21405	1.7
448.09198	0.9
448.22342	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	448.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	5.5
62.66682	0.5
70.21324	0.4
82.95405	0.9
88.00442	0.5
89.02426	2.0
109.02982	0.7
110.03733	1.3
122.03735	0.7
123.04523	39.3
124.04842	0.6
125.02448	1.4
137.02446	7.6
137.06058	0.8
138.03218	2.7
139.03995	1.1
144.87184	1.0
151.04002	21.3
151.07648	0.6
152.04736	3.2
165.05516	4.5
177.02017	0.5
193.08626	0.7
193.12286	2.3
207.10220	0.6
213.24651	0.5
221.11772	2.3
224.95374	0.5
233.15388	0.6
247.17062	1.5
268.49100	0.5
275.16434	1.6
275.19968	1.1
289.18512	0.7
289.21713	4.7
291.58728	0.5
303.19626	6.0
303.23209	1.3
316.20416	0.7
317.21216	7.9
318.21967	18.1
319.22311	1.4
333.24323	57.7
334.24692	4.3
363.25391	100.0
364.25735	7.9
366.26303	0.7
385.06784	1.2
448.23120	11.1
449.23404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48873	0.8
59.01371	2.2
61.88963	0.9
61.98828	100.0
70.33689	1.3
78.95903	35.9
96.96947	5.3
101.02460	0.9
105.85520	0.9
108.29282	0.9
109.02833	0.9
116.80875	1.0
150.97920	1.2
152.99590	70.2
171.00626	3.2
203.47104	1.0
226.49658	1.0
236.39023	0.9
256.03348	1.6
272.02856	1.7
285.03769	1.1
300.02881	1.8
301.03113	5.1
302.03784	2.9
352.22986	1.1
448.09552	6.2
449.23093	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	448.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56040	0.9
53.91457	0.9
61.80581	0.9
61.98829	100.0
74.92695	0.8
78.95900	2.9
96.95996	1.0
152.99564	3.4
182.56482	0.9
195.76389	0.9
212.07355	0.9
247.10388	1.0
299.15973	1.0
301.03186	3.1
302.03802	2.1
448.09808	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.54323	1.7
76.52150	0.5
78.95903	9.4
96.96957	0.9
114.35011	0.4
152.99580	15.4
153.99994	1.5
255.03334	0.4
256.03336	0.4
267.29950	0.4
271.02774	0.6
271.35309	0.4
272.02924	0.5
287.05634	0.4
300.02744	0.8
301.03244	1.6
302.03989	1.6
379.13351	0.5
430.93683	0.5
448.10007	1.6
448.22305	1.0
449.23016	3.0
471.85745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0722
Annotation	N-desmethyl enzalutamide
Peak:m/z	Relative Intensity
51.44658	0.6
57.03436	0.8
59.01373	20.0
60.01688	0.8
61.98828	10.8
65.03949	1.1
67.01866	0.7
69.92101	1.3
69.92434	1.2
71.01381	5.2
73.02937	2.1
75.14826	0.6
79.38212	0.6
80.03891	0.7
80.53170	0.7
83.01353	1.3
85.02943	2.7
88.98781	2.4
89.02432	2.6
89.03944	1.1
91.01868	0.7
91.05518	1.7
93.03424	1.4
95.01379	1.7
95.04985	1.2
96.95942	0.7
98.21846	0.7
101.02416	3.3
105.03426	1.7
107.01382	2.5
107.05028	1.6
109.02958	3.3
111.00859	1.1
113.02441	2.6
117.03412	1.0
119.03492	0.7
119.05006	1.8
121.02933	5.7
123.00877	2.9
123.04530	1.4
123.08146	1.8
124.01653	7.8
125.02448	18.2
127.00370	0.7
131.05034	0.7
133.02019	1.1
133.02954	12.4
135.04517	4.1
137.02426	1.8
139.00375	0.8
139.03937	1.0
140.01175	1.3
140.37471	0.7
145.02997	0.7
146.03711	1.5
147.04532	4.1
148.01686	4.6
149.02438	10.7
151.00362	2.0
151.03976	5.3
153.01886	2.8
153.05518	0.8
161.02403	1.8
161.04526	2.7
163.04047	4.1
165.01891	1.4
167.03450	1.8
168.00648	5.5
169.01405	18.5
174.03188	1.1
175.04019	7.0
177.01913	86.0
178.02272	2.7
179.03520	7.6
179.04999	0.9
179.05495	0.5
187.03918	1.0
187.21034	0.7
191.03490	1.8
194.46667	0.6
207.02985	3.2
210.34558	0.8
211.02457	24.9
219.02942	8.7
219.20241	0.7
225.11311	1.6
226.11592	0.6
227.12050	0.8
231.41371	0.7
243.06609	2.4
260.36829	0.8
261.03806	0.9
265.28601	0.8
269.04486	1.0
271.04581	18.8
287.05627	1.2
297.06143	5.5
307.15320	0.8
369.15381	1.0
389.21976	5.6
431.06256	1.0
449.07144	100.0
450.07523	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	449.0723
Annotation	Myricetin 3'-xyloside
Peak:m/z	Relative Intensity
59.00065	0.4
59.01377	11.3
59.18340	0.5
60.01727	0.7
61.01793	0.6
61.98829	8.9
63.24404	0.4
66.93335	0.5
69.03441	0.6
69.79927	1.5
71.01385	2.2
72.99292	0.4
73.02946	0.6
81.03483	0.8
84.34155	0.5
85.02929	0.8
87.00832	0.4
88.75374	0.4
89.02441	1.9
91.05569	0.5
93.02939	0.5
93.03460	2.6
95.01378	1.1
98.22602	0.6
99.00890	0.7
101.02445	1.5
103.65338	0.4
105.03457	1.3
107.01458	0.8
107.05009	0.7
108.02184	1.1
109.02948	12.7
113.02441	1.4
117.03468	1.0
119.04991	0.9
121.02951	4.4
123.00863	1.1
123.04533	2.5
124.01740	0.5
125.02443	6.9
126.02746	0.6
135.04539	1.6
136.01514	0.5
137.02449	7.1
139.04050	0.7
145.02983	2.5
148.01666	0.5
149.02443	7.0
151.03995	3.9
152.01120	0.6
153.00740	0.3
153.01926	8.0
161.02454	2.9
162.03085	0.7
163.03979	2.4
164.01201	2.5
164.02371	0.5
165.01927	11.6
166.02220	0.5
167.03529	1.3
169.01405	4.1
170.01749	1.2
173.02426	1.1
175.04042	0.5
177.01917	1.3
179.03488	1.7
189.01938	1.0
191.03568	2.8
192.00815	1.0
193.01411	100.0
194.01796	3.2
195.02965	2.7
205.01369	0.6
206.02213	1.9
207.02979	13.3
219.03000	1.2
223.02509	1.4
235.02487	14.0
236.03015	0.8
243.06689	0.6
247.02480	1.3
249.06163	1.1
254.68237	0.6
260.75113	0.5
269.04477	0.8
287.05603	1.1
287.09125	0.8
295.04605	2.2
313.05658	11.2
314.05991	0.9
370.37454	0.5
449.07220	83.2
450.07553	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	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
59.01379	29.3
61.98828	15.8
63.02397	10.2
63.92429	1.1
65.00321	9.0
71.01376	7.6
72.99316	1.5
73.02956	1.8
73.09281	1.0
83.01386	9.4
85.02937	2.5
89.02438	5.4
93.03468	1.5
95.01386	2.1
96.02152	0.9
101.02433	6.2
107.01379	16.9
107.02043	1.4
108.82996	0.9
109.02955	2.3
113.02461	3.0
117.03501	2.9
119.05042	1.3
123.00878	1.7
124.01657	6.8
125.02443	15.6
126.02804	1.1
133.02963	1.3
134.03770	3.3
135.04515	5.7
137.02498	1.3
149.02370	1.3
151.00360	55.0
152.01151	42.2
153.01907	3.3
155.10808	1.7
161.02496	1.0
167.03529	2.4
169.01418	7.2
172.59973	1.0
173.06091	1.1
177.01909	2.8
178.99846	22.8
180.00659	8.2
197.06067	1.7
199.29166	0.9
200.96408	0.9
201.05667	1.3
203.72044	1.0
225.05542	2.2
243.06664	1.5
259.06146	4.1
269.04532	100.0
270.04984	4.7
286.04758	2.3
287.02448	1.0
287.05447	4.6
335.05045	1.0
351.18271	1.7
375.08322	0.9
449.10901	68.3
449.20093	9.3
450.11292	5.6
461.50079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20570	0.7
57.03450	10.7
59.01381	7.9
61.98825	35.0
63.02379	0.8
63.99945	0.6
65.00315	2.7
68.99839	0.8
69.73383	1.4
71.01382	1.6
74.19392	0.7
79.83956	0.7
81.03452	2.2
83.01381	8.7
93.03455	2.0
97.02940	1.7
98.22649	0.9
101.02433	0.9
107.01391	5.1
107.04978	2.2
109.02970	4.7
110.03248	1.1
111.00858	0.9
115.30534	1.0
117.03462	1.9
117.13037	0.7
119.03486	0.8
121.02874	0.8
123.00888	0.9
123.04483	1.2
124.01642	1.1
125.02439	100.0
126.02740	2.5
131.05005	1.6
133.02968	2.3
137.02484	1.0
139.03986	2.7
149.02434	9.7
151.00363	21.4
152.01172	5.1
153.01945	10.9
154.02304	1.5
155.05025	0.8
155.08347	0.9
158.03770	1.4
163.00357	1.6
165.01924	1.9
166.02753	0.9
166.98067	1.1
167.03497	3.1
168.03900	0.8
169.06621	1.3
172.05307	1.2
172.62691	0.8
173.06076	5.1
175.03925	1.5
176.01131	1.2
177.01968	2.6
177.05589	2.1
178.99850	14.0
179.03438	4.3
180.00600	2.4
185.24940	0.8
193.01326	1.4
196.04967	0.7
197.06062	2.8
199.03879	1.4
199.07613	1.1
201.05608	4.1
205.01724	0.9
213.05588	1.5
215.07108	6.4
217.04926	1.1
219.06470	1.1
225.05522	5.2
241.05061	2.4
243.06619	6.1
259.06085	73.9
260.06506	2.8
269.04526	69.5
270.04950	2.5
287.05597	59.5
288.05957	2.2
311.05637	1.5
327.80676	0.9
342.05859	2.1
352.71347	0.8
421.11133	1.0
431.10114	2.1
449.10867	83.4
450.11218	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	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.6
58.18793	0.6
59.01378	7.5
60.13764	0.6
61.98829	8.3
63.02377	0.7
65.00328	3.9
69.60304	1.2
69.60699	1.3
70.57051	0.6
71.01383	2.0
73.02988	0.7
74.51126	0.7
77.22388	0.6
81.03468	2.7
83.01375	6.7
85.38373	0.6
89.02446	1.2
93.03452	2.1
95.01385	0.8
95.70158	0.7
97.02950	1.2
99.78150	0.6
101.02444	1.6
104.69185	0.6
107.01390	4.6
107.05029	2.1
109.02953	2.3
111.00856	1.2
113.02488	1.2
117.03472	2.2
120.01264	2.6
121.02950	1.2
124.01633	1.8
125.02442	100.0
126.02768	1.9
131.05054	1.5
133.02969	2.2
135.04559	1.0
137.02484	2.1
139.04019	2.2
149.02443	8.4
151.00363	20.7
151.04080	0.7
152.01199	5.9
153.01926	9.8
157.06633	1.3
159.04515	0.8
163.00400	1.5
165.01929	3.9
167.03494	2.0
169.01457	1.8
169.06685	1.0
172.05293	1.6
173.06067	4.0
175.03978	0.7
176.01164	2.0
177.05569	2.6
178.99840	13.4
179.03445	5.5
180.00551	1.0
181.06512	1.1
187.07681	0.6
193.01378	0.8
197.06104	1.4
199.04102	0.9
199.07640	1.1
201.05553	4.4
211.98497	0.7
213.05611	0.9
215.07095	5.6
222.68340	0.8
224.04657	0.7
225.05513	3.6
241.05049	2.7
243.06618	6.4
259.06091	77.7
260.06415	4.1
269.04526	72.0
270.04883	3.4
283.06061	1.2
287.05600	63.0
288.05939	3.9
311.05640	2.1
342.05948	2.8
421.11456	1.9
431.09909	2.0
449.10883	88.4
449.20761	2.7
450.11169	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29588	1.7
59.01109	2.6
59.01379	33.5
60.96962	1.7
61.98830	3.4
64.27032	1.5
69.40757	7.8
71.01380	7.3
72.90816	1.8
73.02946	2.1
75.00866	4.9
78.91894	3.0
81.26427	1.8
83.01379	2.3
84.50610	2.0
85.02943	3.7
87.00866	2.6
89.02412	5.4
93.03452	22.2
94.81239	1.6
95.05013	3.6
98.22605	3.8
101.02452	5.5
108.02143	3.2
109.02960	5.3
111.00890	2.1
113.02438	2.8
115.54798	1.5
118.98083	6.0
120.02884	1.6
121.02962	27.9
123.00900	4.0
123.04482	6.3
124.01662	34.6
125.02453	13.9
136.01666	9.4
137.02449	58.6
137.06085	3.9
138.03233	49.1
139.00391	3.3
139.03995	2.9
140.01106	1.7
148.01672	2.3
150.03275	1.9
151.00354	2.7
151.04002	4.3
152.01146	32.9
153.01967	11.0
154.99883	2.7
161.02448	2.7
162.03232	2.8
164.01172	3.0
165.01910	4.7
166.02725	28.6
166.99893	2.3
167.03526	17.8
168.00636	3.8
169.01369	3.5
177.01906	5.9
178.02654	10.3
179.03568	3.3
180.00636	67.6
181.05087	6.9
182.02219	2.3
183.03001	4.4
190.02675	3.5
192.00711	7.7
193.01404	14.6
193.05107	2.6
194.02159	6.6
194.99329	25.2
195.01100	2.3
195.02972	13.0
196.03786	11.5
205.01387	7.2
206.02188	6.9
207.02890	2.8
208.03641	2.4
209.00954	4.6
209.04555	27.4
210.01682	4.5
211.06075	3.8
221.00920	4.8
222.01732	12.8
225.04037	19.4
232.03725	3.1
234.01738	11.2
237.04051	22.7
239.05632	5.8
249.04088	9.9
250.04715	1.8
255.03140	1.6
255.05145	18.5
267.05042	2.5
271.40866	1.7
272.03006	1.9
273.02957	4.0
294.03989	2.7
297.06265	4.7
301.03500	4.0
302.03442	3.2
303.03998	3.6
309.06207	6.8
312.04910	21.8
312.76099	1.6
313.05331	2.2
313.26852	1.9
327.07211	100.0
328.07520	3.3
359.20694	2.7
405.11414	2.5
410.34927	1.9
434.08575	6.9
449.10791	73.0
449.24118	11.7
450.11108	4.6
456.60840	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	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.2
66.60522	1.3
69.08636	4.0
69.09045	2.3
71.01373	3.8
85.02976	2.4
87.00844	1.4
88.90784	1.2
89.02437	1.4
89.95209	1.0
92.00587	1.0
92.86087	0.9
93.03462	5.6
98.22691	2.0
101.02423	1.9
104.36575	1.1
108.02187	1.2
109.02923	2.6
111.00880	1.5
113.02402	2.2
118.98137	1.6
121.02943	23.6
123.00885	2.1
123.04489	1.6
124.01669	32.4
125.02439	3.8
134.80374	1.0
135.04497	1.5
136.01651	9.1
137.02449	23.2
137.06099	1.2
138.03226	52.8
139.00377	1.2
139.04015	2.3
140.01146	1.0
140.76166	1.1
148.01671	2.6
150.03285	2.4
151.00288	1.9
151.03995	1.8
152.01154	32.7
153.01938	7.4
154.02643	1.4
154.35393	1.0
161.02403	3.0
163.04036	1.9
164.01169	2.1
165.01999	1.9
166.02713	23.1
166.99841	2.1
167.03456	4.0
168.00636	4.2
173.92262	1.1
177.01894	4.2
178.02742	8.2
180.00636	63.0
181.01001	1.5
181.05029	6.5
182.02229	2.9
183.02942	5.1
187.31471	1.1
190.02698	2.2
191.03580	1.9
192.00607	5.1
193.01384	10.8
193.05093	2.3
194.02214	5.1
194.99324	24.5
195.02979	13.4
195.99818	1.0
196.03769	12.8
197.04465	2.2
205.01462	7.2
206.02217	4.1
207.03024	4.0
208.03656	2.3
209.00883	4.4
209.04546	8.3
210.01703	4.2
211.06091	2.6
221.00874	4.4
222.01666	14.0
223.02426	1.6
225.04013	18.0
232.03746	4.7
234.01704	9.3
235.02382	1.1
237.04030	24.1
237.06345	2.3
239.05772	1.3
240.02704	1.4
249.04074	7.6
250.04811	3.5
252.02530	1.3
253.03494	1.3
255.05090	16.6
267.05124	3.7
273.03101	1.2
276.02628	1.2
283.08206	1.3
291.05127	1.3
294.03802	2.2
301.03030	1.4
302.03445	4.3
303.04144	1.3
309.06119	7.3
312.04846	19.3
327.07193	100.0
328.07541	4.4
431.09756	2.1
434.08630	6.0
448.31561	1.2
449.10828	66.1
449.23880	3.0
450.11154	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	449.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75792	0.7
55.01870	1.0
59.01373	3.0
61.98822	2.5
69.03445	1.4
69.80276	2.3
71.01368	1.2
81.03457	7.8
83.01376	11.5
85.02993	1.4
88.27043	0.8
93.03452	0.9
95.01373	1.6
95.05010	3.7
97.02957	5.6
99.04533	4.0
107.04966	1.0
109.02934	2.2
111.04512	1.2
120.99689	0.8
121.02926	3.9
121.06622	1.2
122.03664	0.9
123.00891	1.7
123.04529	23.7
124.01675	1.8
124.04861	1.0
125.02448	28.1
130.08763	1.2
135.04520	1.8
137.02449	3.4
137.06075	2.0
138.03200	1.1
139.04010	2.5
147.04526	2.0
149.02425	0.8
151.04015	2.6
153.05559	1.8
163.04018	2.6
165.01871	1.4
165.05559	3.7
167.03500	22.7
179.03519	4.0
181.04974	1.8
191.03423	2.7
192.95869	2.2
197.04559	2.7
209.04544	100.0
210.04906	2.4
221.04507	1.4
239.05594	30.2
269.06693	4.8
281.06784	0.8
287.07794	3.7
311.07785	1.0
329.08762	28.3
329.12686	1.5
330.09048	1.2
343.29626	1.0
344.46869	0.8
359.10010	4.1
385.74756	0.8
449.12900	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	449.1498
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.60635	1.2
59.01373	2.0
61.98814	2.0
62.96408	26.0
78.95898	62.4
80.97465	30.6
108.35188	1.4
149.00087	12.7
152.99564	1.3
179.01184	1.4
205.15929	7.1
242.98257	5.4
285.12350	1.8
355.16763	21.8
355.20773	2.2
385.17847	20.0
449.14929	100.0
450.15726	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	449.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03438	1.6
58.99771	0.6
59.01379	16.8
61.98821	2.4
63.46492	0.5
68.99845	0.8
69.03460	1.0
69.63125	1.5
69.63509	1.4
71.01381	10.9
72.99311	3.5
73.02959	3.6
73.45996	0.5
74.99095	1.8
75.00872	10.5
78.95896	1.3
83.01399	0.7
85.02948	10.5
87.00871	5.0
89.02451	3.5
95.01371	2.9
99.00883	7.4
101.02448	1.1
103.00335	1.2
109.02919	1.3
111.00896	1.2
113.02447	11.3
115.00366	1.8
117.01933	1.9
118.98096	4.1
125.02448	2.0
135.08162	1.1
137.09720	6.4
153.02003	0.7
155.10776	69.6
156.11139	2.0
157.01514	1.3
158.12651	0.8
161.02370	0.8
167.03424	0.8
175.02499	1.3
181.08705	1.3
199.09753	12.8
207.91553	0.6
231.05078	1.1
243.54572	0.6
249.06157	11.8
273.13431	7.5
387.16284	1.1
413.18411	0.9
431.15451	2.6
449.16599	100.0
450.16910	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84085	1.8
52.94516	1.4
57.03434	3.8
59.01378	17.9
61.98819	5.1
71.01376	2.2
71.05015	1.9
73.02936	3.3
77.48215	1.4
86.03239	1.8
98.21797	3.7
99.04510	4.7
101.02435	2.1
120.94833	1.6
197.02271	4.8
206.52921	1.6
213.14944	2.2
251.16502	100.0
252.16840	5.4
287.22186	1.8
297.92093	1.7
302.03458	5.0
303.03925	2.9
449.19391	9.4
449.27472	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	449.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55601	11.4
59.01378	88.9
61.98834	31.6
70.80994	13.1
71.01385	14.9
73.02943	10.8
73.47712	11.3
89.31325	11.2
89.52808	11.8
98.22514	13.8
101.02429	13.6
105.37242	11.2
110.96695	11.5
150.71703	11.0
151.00389	13.7
197.02185	15.6
213.14949	38.4
251.16487	100.0
263.13214	11.6
300.02567	14.6
301.03442	16.4
302.03424	26.2
303.03976	17.1
346.50946	11.3
413.21719	17.7
449.09720	32.3
449.19110	28.5
458.69354	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	449.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	16.4
61.98817	5.5
69.32475	25.4
88.25316	5.0
115.84974	5.9
128.33603	4.7
164.89636	4.8
171.71893	4.8
176.89883	5.4
251.16501	23.1
261.70813	7.5
265.31485	4.5
338.43729	5.3
360.97568	21.6
404.96283	11.2
413.21732	100.0
448.95364	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	449.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76719	5.6
56.44122	5.2
59.01376	95.5
61.98842	23.5
69.18070	28.8
71.01366	22.7
73.02936	8.7
83.01387	5.1
85.02946	16.6
87.04517	6.1
89.02438	19.0
93.03450	51.6
95.01393	7.8
101.02444	20.1
113.02441	12.0
119.03548	5.6
123.04505	13.5
125.02434	12.0
137.02448	100.0
161.02336	4.9
161.04643	7.4
177.01949	5.7
211.13382	40.3
212.13751	37.7
213.13960	33.0
225.04068	6.9
243.03052	6.0
254.09647	6.8
255.09877	8.1
255.12491	9.5
273.03180	7.8
300.02621	5.8
301.03299	9.2
302.03574	22.8
303.04126	14.3
389.21667	6.6
413.21741	25.2
434.12131	6.6
449.10138	28.5
449.19351	31.8
449.23883	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	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03440	0.7
58.00592	1.6
59.01376	82.4
69.03455	5.8
69.15279	2.5
71.01378	66.3
72.01747	0.4
72.99306	1.4
73.02943	14.0
73.30087	0.4
75.00865	2.1
79.01888	1.1
81.03458	4.3
83.01382	3.8
83.51909	0.4
85.02953	6.4
87.00864	1.8
89.02441	100.0
90.02730	0.9
95.01376	1.6
96.02150	0.4
97.02949	10.7
99.00873	15.2
99.04500	1.0
101.02443	20.3
109.02922	0.6
111.00859	1.6
113.02451	6.7
115.03995	6.5
116.08080	0.4
119.03497	2.2
125.02443	42.1
127.03987	1.1
131.03499	11.5
133.17148	0.5
143.03502	3.2
149.04550	25.1
155.10776	29.4
156.11046	0.6
161.04521	1.8
169.12323	0.9
173.04538	0.7
191.05623	10.3
197.11827	4.1
211.13412	2.8
212.13686	1.6
213.13896	1.5
227.12764	1.8
233.06657	24.5
234.06946	0.9
275.07596	0.5
293.08774	50.0
294.08884	1.7
387.47522	0.5
401.49344	0.6
407.22592	0.8
449.09753	0.6
449.23859	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	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59056	1.0
55.01871	1.1
57.03433	2.4
59.01379	39.1
61.98810	3.6
71.01382	11.6
73.02946	2.2
75.00821	1.0
76.82217	0.9
83.01373	1.1
83.04996	1.8
85.02943	3.6
87.00860	2.1
89.02443	8.4
93.03451	8.0
95.01353	1.8
96.95980	3.3
97.06584	3.6
101.02438	10.8
113.02491	4.7
116.92839	2.9
119.03472	4.0
121.02966	0.9
122.03747	3.6
123.04510	6.1
125.02409	2.1
137.02452	14.5
142.67802	1.0
143.03453	1.1
149.02412	1.0
151.11290	16.4
152.01013	0.9
161.04547	3.4
164.04794	1.0
165.01950	1.7
167.03500	5.5
169.12335	100.0
170.12717	3.5
179.05606	2.2
195.06586	1.4
195.10275	3.2
212.13580	1.8
213.09392	1.7
213.11331	20.0
213.13489	1.7
215.42128	0.9
219.37292	1.0
243.10280	4.9
253.09277	5.8
272.02914	1.0
273.02988	1.4
287.09366	2.2
301.03253	2.0
302.03513	4.5
303.04135	1.9
389.21643	3.7
405.13513	1.7
449.09985	4.3
449.20227	97.4
450.20529	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	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69608	0.5
59.01370	0.8
61.98829	6.6
78.95902	51.1
89.48513	0.4
93.75731	0.5
96.70043	0.4
96.96958	5.5
98.22690	0.8
99.28516	0.4
103.01513	0.5
150.98022	1.9
152.99583	100.0
153.99907	0.8
161.85634	0.4
171.00639	4.3
185.69205	0.5
233.91692	0.6
243.39334	0.4
244.61165	0.4
286.97891	0.5
295.22864	0.5
449.10199	0.7
449.23071	17.6
450.23547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2334
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
51.15185	0.4
52.19334	0.4
57.03432	0.5
59.01379	0.4
65.03953	1.0
71.42630	0.4
78.01114	0.7
78.95900	1.1
81.03442	2.7
91.05505	0.4
93.03434	0.6
95.01378	1.0
107.05022	1.7
108.02171	4.2
109.02947	5.1
111.00877	0.6
113.87586	0.3
115.05563	0.5
119.05003	1.3
119.08617	0.4
121.02943	1.3
122.03739	8.0
123.00986	0.4
123.04541	5.2
124.01669	0.5
135.04523	7.1
139.00385	0.7
146.03761	0.4
147.04498	1.2
148.05278	1.7
149.06065	2.9
150.03197	0.7
150.06793	1.0
151.04008	0.9
152.99577	1.5
154.02679	0.6
159.04523	3.6
161.06075	2.7
162.06920	0.6
163.04005	8.9
163.07637	0.9
164.04649	1.1
173.06033	0.5
175.07570	0.4
175.71852	0.4
177.05640	2.1
177.09186	0.6
185.06035	0.8
191.07149	0.9
192.07890	0.7
195.17545	0.6
205.08737	1.7
219.10289	1.5
219.17566	2.6
227.35521	0.5
231.83243	0.4
241.34010	0.4
251.16498	0.5
259.13373	1.1
279.15955	1.8
281.17557	3.1
285.14923	0.5
287.16479	2.0
307.15439	0.6
311.16254	0.7
313.18042	1.2
325.17780	0.5
363.23245	1.1
369.07541	1.5
389.21478	0.6
405.24344	1.5
407.22275	8.4
408.22537	0.6
431.22525	0.6
449.23322	100.0
450.23669	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	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01378	100.0
61.98827	11.2
64.14155	0.7
69.30119	1.5
69.30523	2.8
71.01383	17.8
72.99277	0.7
73.02947	3.1
75.00851	1.5
81.03473	1.2
83.01397	1.1
85.02930	4.2
87.00866	1.2
89.02441	20.5
93.03466	4.0
95.01366	1.9
99.38842	0.7
101.02443	13.2
107.01421	1.3
108.02174	75.8
109.02959	26.9
109.04102	0.9
110.03303	1.2
110.76167	0.7
113.02448	9.1
119.03511	8.3
121.02956	1.0
123.04508	1.1
124.01699	0.7
125.02424	2.3
133.02972	1.1
135.04456	0.7
137.02437	10.8
138.02832	1.0
143.03491	2.1
151.00363	2.4
151.04042	2.1
152.01154	41.5
153.01935	33.3
159.03004	0.9
161.04543	7.8
163.04010	1.0
168.00638	1.4
173.66827	0.7
178.99913	1.7
179.03381	0.8
179.03911	0.8
179.05566	7.6
183.03020	1.3
192.00616	1.2
193.01128	0.9
199.03847	1.0
207.02773	0.7
227.03693	0.8
227.16530	3.2
235.02139	1.0
236.02184	1.0
241.05269	0.6
245.03622	1.0
249.03957	1.6
250.04343	1.0
251.04607	1.6
255.02963	2.1
256.03326	2.1
257.03510	3.4
271.02438	3.8
272.02792	3.4
273.03030	6.5
287.14029	1.7
297.06229	1.1
300.02823	6.6
301.03244	9.6
302.03369	16.1
303.04083	10.0
309.05899	0.8
310.06509	0.9
311.06717	1.9
389.21790	35.6
390.22119	2.1
437.11102	0.7
449.10617	63.2
449.23660	2.1
450.11023	3.7
454.72351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	0.9
61.98832	9.2
69.03465	0.9
71.01378	18.0
71.27691	0.8
73.02953	3.1
75.00865	1.6
75.54506	0.8
81.03436	1.0
83.01411	1.0
85.02950	5.5
87.00881	1.2
89.02439	20.1
93.03461	3.8
94.03776	1.2
95.01408	1.7
99.00899	1.1
101.02442	11.0
107.01387	1.4
108.02170	47.5
109.02960	19.2
113.02443	9.6
116.92879	1.0
119.03488	9.1
121.02946	0.8
125.02454	2.1
131.03494	1.7
137.02426	8.4
138.02769	1.2
143.03516	2.3
151.00351	2.5
151.04047	2.0
152.01154	26.6
153.01933	25.8
154.02327	0.8
161.04535	10.1
163.92058	0.6
168.00644	0.8
178.99844	1.2
179.05611	7.8
185.11795	0.8
193.01054	0.8
199.03943	1.1
207.02895	0.9
209.11819	0.9
227.16554	3.5
234.01628	1.7
235.02058	1.0
236.02402	0.9
241.05046	0.9
245.03281	1.2
245.14093	1.1
247.01494	0.9
249.04007	1.5
251.04581	2.3
255.02975	1.7
256.03275	1.7
257.03531	3.7
271.02460	3.2
272.02756	4.2
273.03064	5.6
300.02618	5.4
301.03281	9.6
302.03433	15.9
303.04031	10.0
311.06622	1.6
389.21799	35.7
390.22049	2.8
449.10489	49.2
449.23682	3.1
450.10861	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06791	0.5
51.05587	0.6
59.01377	100.0
59.09498	0.6
60.01705	0.6
69.40266	0.7
69.40592	2.8
71.01380	13.2
73.02962	2.4
83.01391	1.3
83.05055	0.9
85.02953	4.2
85.39352	0.5
86.91773	0.5
87.00890	1.0
89.02444	13.3
90.08060	0.5
95.01424	0.7
98.21873	1.3
99.00890	0.9
101.02435	9.6
101.02995	0.8
113.02429	5.2
119.03504	6.9
125.02470	1.0
141.09253	2.3
143.03499	1.4
155.10854	1.1
161.04536	6.4
169.08801	0.7
179.05608	6.5
184.09546	0.6
202.75584	0.6
203.69302	0.6
207.13989	1.2
220.91570	0.6
225.15121	1.7
227.07201	1.7
227.16475	3.9
229.09421	0.7
269.13995	2.3
316.02353	1.5
389.21796	23.1
390.22107	1.2
449.07300	1.1
449.20016	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	450.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21982	0.2
59.01376	1.2
61.98829	100.0
65.94646	0.2
66.61639	0.3
69.35954	1.3
70.00779	0.3
71.01382	0.3
80.56636	0.2
85.02957	0.3
89.02441	0.6
98.21933	0.5
109.02929	0.3
113.02505	0.3
120.01248	0.8
124.01677	0.6
163.07634	3.0
181.08714	0.5
207.06596	1.6
209.14899	0.3
225.07669	9.2
226.08138	0.3
387.12967	8.3
388.13406	0.8
451.08972	0.4
451.17966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38333	0.2
61.98826	100.0
62.77996	0.3
62.97990	0.2
69.69556	1.0
120.25997	0.3
121.02949	0.3
122.00436	0.2
122.03765	0.3
124.01619	0.3
139.18555	0.3
163.07631	3.2
163.08925	0.3
176.50937	0.2
179.07173	0.3
181.08737	0.9
207.06558	1.7
224.06860	0.3
225.07666	8.0
225.09903	0.4
226.07990	0.4
259.79285	0.3
387.12930	8.4
388.13394	0.4
404.92889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19368	0.6
59.01380	11.7
60.44983	0.6
61.98820	1.4
69.03442	2.1
70.57349	1.0
71.01376	2.8
73.02949	1.2
81.03442	1.4
82.48216	0.5
83.01368	1.0
85.02946	1.8
89.02418	1.5
93.03454	34.5
93.54697	0.6
95.01378	0.9
96.95994	2.0
97.02944	2.0
101.02441	2.1
107.01408	0.9
108.02183	0.9
109.02938	1.4
113.02441	1.5
123.00864	6.0
123.04509	1.1
124.01665	15.8
125.02447	34.7
129.05095	0.6
132.93518	0.6
136.01608	0.9
137.02440	54.1
137.35435	0.6
138.02745	1.0
143.10762	1.2
148.64674	0.6
149.99579	28.0
151.00366	2.8
151.03990	0.7
167.03470	1.7
167.84380	0.6
168.00635	64.4
169.01419	6.7
179.03447	0.8
183.04491	0.6
227.03465	4.9
245.08197	1.6
262.92490	0.7
267.55716	0.6
269.06491	0.8
313.05637	17.3
331.06693	32.5
332.06854	1.3
351.20319	1.0
373.32941	0.6
407.13632	1.0
445.71143	0.6
451.08829	100.0
451.21078	6.0
452.09158	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	451.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30096	0.4
59.01375	19.9
61.98829	6.1
70.57475	0.6
70.57810	0.6
71.01370	5.7
72.70470	0.4
73.02919	1.8
74.49950	0.4
79.01884	0.6
81.03436	1.2
83.01376	0.8
85.02941	3.2
89.02432	2.2
91.01884	0.9
93.03442	0.6
95.01384	1.1
97.02931	0.5
99.00874	0.7
101.02428	4.2
107.01376	2.0
108.02168	34.5
109.02950	50.1
110.03303	0.9
111.00838	1.2
113.02439	2.5
114.78513	0.4
119.03468	1.2
121.02930	0.8
123.00903	2.4
123.04435	1.1
124.01652	1.5
125.02447	3.3
135.00833	1.5
137.02412	1.5
141.01958	0.6
147.04446	0.6
150.81363	0.5
151.00316	1.4
151.03984	1.3
152.01146	45.8
153.01933	58.1
154.02226	1.4
161.04500	0.9
163.03967	1.5
167.03401	0.7
169.01405	3.2
169.04994	1.1
178.99788	0.8
179.03442	0.8
184.08154	0.5
187.13329	0.6
195.02916	2.0
199.03868	0.5
210.36797	0.5
211.02359	0.8
225.03842	1.0
237.03900	0.7
246.29958	0.6
253.07149	0.8
288.02539	0.6
289.03397	1.1
297.02792	0.7
297.06122	11.9
298.06494	0.6
315.07233	10.7
331.17462	1.6
349.18756	3.4
391.19757	2.3
407.09775	14.3
408.10135	0.8
415.12411	0.5
433.07306	1.2
451.08624	100.0
452.09021	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	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.9
59.01365	2.8
61.98829	11.7
65.00317	7.1
69.35203	4.1
71.01362	1.3
78.91896	2.2
80.91672	5.4
81.03477	1.4
83.01390	9.3
92.90696	0.9
93.03461	17.4
96.46410	1.0
97.02938	2.0
107.01392	16.2
109.02943	1.9
111.04424	1.0
118.73836	0.8
119.05005	5.0
121.02970	1.5
124.01663	3.4
125.02448	55.4
126.02780	1.2
131.01382	2.3
137.02438	28.2
139.04042	2.5
145.02965	2.2
149.02435	3.2
151.00377	82.3
152.00699	1.9
155.26883	0.9
161.02460	7.1
163.04019	3.7
165.01930	2.3
167.03519	3.0
167.12117	0.9
168.00659	3.8
169.01434	45.8
170.01752	1.6
175.00362	12.3
177.01921	1.2
179.03516	2.0
186.61978	0.9
193.01399	16.4
205.01431	1.6
211.02547	3.0
217.01553	1.6
223.02487	1.4
235.02332	1.1
274.01157	4.7
289.03546	2.9
295.04581	1.7
305.06644	6.1
311.05780	1.4
313.05728	5.6
331.06705	39.3
331.10690	2.0
332.07178	1.5
349.79675	1.0
354.09592	1.1
357.06064	1.3
451.08817	100.0
451.21219	2.7
452.08899	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	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39245	0.7
59.01376	25.8
61.98825	1.5
65.78430	0.8
67.68235	1.0
69.60794	0.7
69.61150	3.2
71.01383	5.4
73.02940	2.1
81.03423	1.3
83.01391	1.5
85.02948	3.0
89.02435	2.2
92.89151	0.7
95.01391	0.8
97.35019	0.7
98.22604	1.5
101.02451	4.6
107.01378	2.0
108.02172	33.9
109.02956	63.7
110.03273	1.5
111.49397	0.9
113.02444	3.2
113.19449	0.8
123.04534	1.0
125.02470	1.9
135.00883	2.2
137.02477	1.3
151.04010	1.8
152.01154	40.5
153.01936	73.1
154.02226	1.2
158.75224	0.8
161.04556	1.0
163.04066	1.2
165.01921	1.6
179.03487	1.0
187.13179	0.9
195.02939	1.5
209.74390	0.9
297.06177	14.9
298.06586	1.2
315.07230	10.4
331.17633	2.0
349.18628	2.8
391.19742	1.7
407.09760	21.0
433.07721	2.3
451.08743	100.0
452.09158	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	451.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62358	0.1
57.73275	0.2
58.02973	0.2
59.01379	1.9
61.98829	3.8
69.03457	0.9
71.01379	0.6
73.02940	0.2
79.01880	0.5
80.05063	0.2
81.03452	7.3
81.03936	0.4
82.06616	0.7
83.01408	0.2
83.05022	22.2
84.05364	0.2
85.02957	0.3
88.30820	0.2
89.02446	0.5
93.03454	0.8
94.68541	0.2
97.02934	0.6
97.43963	0.1
100.07674	0.2
101.02439	0.6
103.30872	0.2
107.01369	1.6
107.06143	0.7
108.02192	0.2
108.04567	0.9
109.02966	0.2
113.02477	0.4
118.98073	0.3
123.00880	0.6
124.01662	1.7
125.02448	3.5
125.07204	2.6
126.05589	0.5
128.38309	0.1
135.00882	4.5
136.01250	0.2
137.02440	1.3
143.08258	1.3
147.77750	0.2
149.99574	2.3
151.91035	0.2
153.01935	0.4
161.04521	0.2
163.06117	0.2
167.03491	8.4
168.00635	4.5
168.03810	0.3
169.01250	0.2
177.01889	0.2
189.02011	0.2
191.10736	0.2
193.01311	0.2
195.03127	0.2
207.15013	2.5
209.04504	0.2
217.01299	0.2
224.17674	4.2
225.16069	12.5
226.16341	0.2
242.18724	1.7
250.15613	0.3
253.10793	0.9
268.16733	0.2
281.06705	0.5
289.57196	0.2
290.22156	0.2
291.20486	0.2
307.24017	0.2
309.21872	0.5
324.26456	1.7
331.06607	0.7
333.22937	4.4
339.27618	0.3
351.23950	1.1
357.06259	0.2
367.27118	1.3
385.27954	0.3
415.16006	0.7
433.31824	6.5
451.08755	7.6
451.21057	4.0
451.32855	100.0
452.08926	0.5
452.21027	0.2
452.33218	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	451.103
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
50.63241	0.4
54.48693	0.5
57.03448	11.4
59.01376	17.0
60.01722	0.5
61.06314	0.4
61.98820	3.2
65.00309	1.1
69.03451	0.6
69.33029	0.7
69.33433	1.3
69.90892	0.4
71.01379	4.1
71.91506	0.3
73.02929	1.5
75.00895	0.4
75.55647	0.3
81.03445	1.8
83.01379	5.5
85.02950	1.8
89.02451	1.8
93.03448	4.0
94.03831	0.4
95.01380	0.9
95.05011	1.6
97.02960	0.9
97.44121	0.4
98.21944	0.8
99.00858	0.7
101.02433	3.5
105.03449	3.2
107.01411	2.1
108.02165	0.8
109.02976	2.2
111.04527	0.8
112.10778	0.4
113.02403	2.0
117.03477	1.9
119.03608	0.7
119.05027	12.6
121.02904	0.6
123.00871	1.2
123.04515	0.7
124.01660	1.5
125.02443	100.0
126.02807	2.1
133.02946	0.8
133.06589	0.5
137.02441	20.8
138.03070	0.4
139.04048	2.3
145.02936	3.1
149.02420	1.0
149.06071	0.7
151.00359	9.6
151.03978	1.0
153.01903	0.5
158.03714	0.4
161.02441	33.4
161.04355	1.9
162.02979	1.2
163.04004	14.0
164.01167	0.9
165.01958	3.4
167.03497	2.3
168.00661	0.7
169.01422	6.1
173.06053	0.6
174.03102	0.5
175.00354	1.5
175.03931	1.0
177.01964	0.6
177.05565	3.3
178.75452	0.4
179.03529	2.2
189.01781	0.5
193.01431	2.3
201.05580	1.6
203.03621	0.7
211.02467	1.3
213.05721	0.4
219.06589	2.3
219.08405	0.4
221.04456	0.7
243.06703	1.1
251.12851	0.4
261.07739	0.6
269.04648	3.5
269.08093	3.7
271.15744	0.5
281.08194	1.0
287.05606	10.2
287.08817	0.7
288.05951	0.4
305.06647	14.4
306.07083	0.8
313.05719	0.7
319.11948	0.6
325.07227	1.1
326.07602	0.5
331.06763	3.6
349.18515	0.6
390.22110	1.0
391.23581	2.3
407.22934	3.9
451.08878	12.7
451.21100	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	451.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
58.79147	0.7
59.01379	5.1
61.98826	6.8
66.71964	0.7
67.01891	0.8
67.21904	0.7
68.99817	0.9
69.03454	2.3
69.53851	3.1
71.01369	7.2
73.02934	2.4
79.01862	1.5
81.03452	6.4
83.01403	1.3
83.05022	14.3
85.02956	3.8
87.00856	1.3
87.67205	0.8
89.02435	1.3
91.01884	2.2
93.03458	1.0
95.01397	6.9
96.99250	1.0
97.02947	1.8
98.22542	1.7
99.00908	1.0
101.02438	5.8
107.01390	9.1
108.02174	17.6
109.02949	8.5
109.58682	0.8
111.00901	2.6
113.02444	4.6
118.98090	3.8
119.98368	0.7
120.97703	6.6
121.02976	1.4
122.03741	2.3
123.00883	73.5
123.03691	1.4
123.04504	12.1
124.01664	43.4
125.02473	6.0
125.07227	1.4
135.00880	15.2
137.02397	1.5
138.03227	32.3
139.00400	1.0
139.04024	25.3
150.03215	0.9
151.00397	4.8
151.04001	1.3
152.01149	12.2
153.00674	1.0
153.01924	16.3
154.02721	0.7
154.29457	0.8
161.04453	1.3
166.02748	3.4
167.03491	53.1
168.03891	1.4
169.05063	0.9
177.01953	1.2
181.05168	2.0
189.09322	1.0
191.10774	4.6
193.04915	0.9
194.02167	0.9
207.10333	1.1
207.15019	1.7
209.04494	1.4
224.17697	2.6
225.16052	6.8
235.09702	4.1
251.05708	0.7
253.10796	12.4
281.06613	3.0
296.05304	2.6
297.06174	10.8
311.07703	45.9
312.08063	2.5
324.26715	1.1
333.23041	1.8
415.16095	9.8
433.31668	4.4
451.12448	100.0
451.21997	8.1
451.32849	64.9
452.12823	7.8
452.33139	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	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49286	0.7
52.63018	0.8
59.01377	6.3
61.98812	4.3
62.42036	0.8
67.01860	1.0
69.19435	1.3
69.19828	3.3
70.58339	0.9
71.01379	9.9
73.02930	3.3
74.99110	1.0
79.01870	1.3
81.03463	6.1
83.01405	2.0
83.05022	8.8
85.02950	4.6
87.00816	1.1
89.02489	1.1
91.01884	1.9
95.01394	7.0
97.02921	1.1
98.22646	1.8
101.02436	5.3
107.01374	7.1
108.02175	16.7
109.02954	10.0
111.00893	2.2
113.02434	5.0
118.98080	3.7
120.97669	3.1
120.98486	1.3
122.03723	1.4
123.00880	85.6
123.04514	12.6
124.01665	42.0
124.02355	0.6
124.02610	1.2
125.02489	4.5
135.00893	5.7
136.01622	1.0
137.02419	1.7
138.03221	36.7
138.04292	1.8
139.00366	1.0
139.04016	24.9
150.03146	1.1
151.00371	4.9
152.01143	15.1
153.01927	17.2
153.05602	0.9
166.02682	4.0
167.03479	44.4
168.03886	1.3
169.72838	0.9
178.02602	1.1
181.05058	1.6
191.10751	2.9
224.17679	1.0
225.16022	5.9
253.10794	6.6
269.06506	1.3
281.06470	2.7
287.04776	0.9
296.05225	5.4
297.06128	10.9
311.07693	43.3
312.08130	1.5
324.26736	1.3
341.06335	1.3
366.47708	0.9
415.16046	5.3
433.31754	1.7
451.12408	100.0
451.21902	3.9
451.32825	37.0
452.12741	7.7
452.33304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
61.01072	0.2
65.03960	0.4
69.11327	1.5
71.01382	0.2
84.87605	0.2
86.99358	0.2
93.03455	41.8
94.03796	0.5
109.02942	0.5
125.02390	0.2
135.02716	0.2
137.02441	100.0
138.02731	2.4
139.04008	20.4
140.04340	0.4
167.03523	0.3
169.05058	21.3
170.05394	0.4
171.49530	0.2
211.05971	0.2
281.06631	1.4
313.09280	5.8
314.09485	0.2
331.10397	1.3
403.73990	0.2
404.64151	0.2
451.12579	4.9
451.21112	1.1
452.12839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	6.1
59.01379	71.5
59.58262	3.7
61.98820	4.4
62.78745	4.0
67.65921	3.8
69.30009	21.3
71.01373	27.9
73.02945	100.0
76.04325	4.1
83.01389	18.3
85.02962	4.7
99.04546	4.3
101.01965	3.4
101.02444	34.6
110.70040	4.3
113.02432	11.7
125.02451	6.3
143.03508	5.7
143.87537	4.1
155.03592	5.3
161.04546	6.8
167.10773	70.0
174.06874	3.9
174.22447	4.3
178.05791	4.1
191.10802	25.5
191.95787	4.2
209.11787	16.2
220.89348	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	451.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04865	4.7
53.53554	4.9
53.63553	6.1
53.67001	4.5
59.01379	100.0
61.98811	5.9
69.65981	4.8
71.01385	44.2
72.99323	6.4
73.02934	10.4
82.86211	5.2
85.02928	10.8
89.02440	49.3
94.98080	20.9
97.02935	6.2
99.00900	15.1
100.66679	4.7
101.02454	36.3
108.02206	5.4
109.02988	8.0
113.02484	11.2
119.03513	10.1
123.00925	8.4
125.02433	17.7
128.06366	4.3
131.03548	8.4
149.04559	32.2
151.52405	5.0
152.01141	5.2
153.01913	18.6
161.04567	7.6
169.01399	21.4
174.52428	4.8
191.05592	7.7
192.00641	19.3
207.02963	13.8
221.06430	6.3
228.88997	6.3
234.01575	6.1
251.07701	7.0
271.04877	6.2
276.70499	5.8
289.07196	9.3
327.07111	10.9
343.60199	5.6
366.03116	11.1
391.19376	11.3
415.15933	43.6
444.65103	5.4
451.13113	68.0
451.21448	22.7
455.15485	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	451.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79259	1.0
59.01378	18.8
61.98830	17.2
62.97816	1.2
65.03946	1.8
69.76286	1.5
69.76620	3.4
71.01363	4.3
73.02956	1.4
76.48365	1.2
78.90746	1.2
85.02927	2.3
87.00923	1.1
88.98795	1.2
89.02432	1.6
98.22570	2.2
101.02424	2.3
108.02177	25.8
109.02950	76.5
110.03256	2.1
113.02436	2.4
124.01665	1.4
125.02456	2.8
135.04530	1.4
137.02420	1.7
151.03937	1.6
151.99921	2.3
152.01140	36.5
153.01936	100.0
161.04506	1.6
163.67850	1.1
169.01401	1.8
177.01971	2.2
225.03984	1.5
297.06146	16.4
315.07196	3.9
377.11545	1.2
389.18210	3.0
405.21509	1.4
407.09628	1.6
451.08719	95.6
451.13730	4.9
452.09015	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	451.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84077	0.6
59.01371	0.8
61.98806	0.7
69.89891	1.2
69.90237	1.1
72.99302	2.6
73.13646	0.7
84.74849	0.5
89.02451	1.3
92.07491	0.7
99.92583	9.4
107.22562	0.6
116.92858	100.0
117.92819	2.9
159.25591	0.6
182.50218	0.6
293.17615	1.6
320.19791	1.3
333.20743	1.1
391.14438	2.8
416.13135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	26.2
61.98829	100.0
64.54310	8.2
71.01376	12.3
85.02943	6.9
96.96011	10.8
101.02413	10.0
108.02190	8.1
109.02952	10.9
113.02460	7.4
125.87302	15.5
126.95901	6.5
142.87547	33.5
145.48006	8.9
148.03981	11.1
148.90956	20.9
150.09837	9.1
153.01941	21.2
165.58859	7.1
192.00612	15.8
212.65152	9.0
226.06369	8.3
232.17049	8.1
241.08554	9.0
245.09126	7.9
262.20761	7.7
289.07178	10.8
342.78406	7.5
361.13846	17.2
385.58743	8.9
415.96725	7.7
451.17325	91.9
451.24890	17.0
451.93619	39.8
470.28018	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	451.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96749	2.4
59.01374	29.9
61.98820	25.4
62.08487	2.3
69.30862	12.9
71.01381	15.5
73.02932	3.4
81.03445	4.1
83.01394	5.3
85.02940	7.8
87.84024	2.2
89.02447	11.6
93.03446	3.2
95.05002	4.1
97.02949	6.6
101.02424	7.3
107.01447	2.8
108.02165	34.9
109.02950	80.3
111.00897	3.2
113.02454	8.6
117.47516	2.6
121.02972	2.7
122.03744	4.7
123.00888	6.4
123.04526	19.4
124.01625	5.8
125.02448	25.3
135.00882	3.2
137.02448	31.8
139.04041	4.3
139.99696	2.3
143.51334	2.6
149.02397	4.5
151.04004	19.8
152.01134	38.6
153.01935	83.7
161.04636	3.9
161.06064	3.8
162.03140	4.0
163.03996	3.8
164.01186	2.6
165.01918	11.9
167.03447	8.2
169.01372	8.7
175.04025	4.2
177.05455	2.8
179.03479	8.4
187.03961	5.0
188.04750	5.2
201.11237	3.2
203.07132	14.6
205.05046	10.2
211.02443	4.4
212.43959	2.5
221.08214	4.2
245.08160	22.7
253.14337	3.1
289.07178	73.6
290.07486	3.0
297.06076	12.2
305.37326	2.6
313.09351	3.3
315.07114	11.0
407.09967	12.8
451.07855	100.0
451.17746	19.1
451.22055	12.3
452.08524	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	451.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25479	2.0
53.06440	2.0
58.88182	1.8
59.01366	3.7
71.42873	2.6
78.01093	2.9
78.95889	6.9
89.75978	2.0
93.03456	2.8
95.05012	5.7
97.59207	2.0
99.92574	2.6
107.62976	1.9
121.10221	6.3
137.99577	4.7
154.49936	1.9
158.84674	3.8
174.99396	2.2
195.17537	14.8
219.17558	14.2
220.17732	2.1
244.02641	2.3
251.16490	8.8
253.21696	7.8
254.22032	19.4
265.03979	2.8
269.07135	9.5
279.16016	30.5
319.15186	2.3
333.16708	4.7
339.18121	21.7
354.09958	2.8
371.07498	2.5
377.15631	2.1
391.18024	100.0
392.18295	6.5
450.33704	2.7
451.26324	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83381	4.3
56.24498	4.0
59.01380	26.9
61.98826	32.7
65.88788	4.1
68.03693	4.0
69.17600	3.9
71.01372	9.6
73.02938	5.1
75.23916	3.9
79.98666	3.8
83.01370	7.0
83.17146	3.8
85.02960	7.9
101.02424	9.1
109.02948	58.7
123.93583	3.9
125.02438	45.0
126.02767	15.6
127.02969	10.3
140.80290	5.0
151.00375	11.4
152.01048	4.5
153.01920	88.4
169.01385	6.7
172.05283	4.9
173.72084	3.8
177.01900	6.4
245.00864	8.3
255.72415	4.4
259.06079	14.1
260.06424	13.8
261.06631	23.5
269.04526	13.4
270.04849	12.2
271.05020	27.6
273.00455	10.1
287.05630	15.7
288.05997	9.7
289.06180	24.4
297.06186	36.9
313.79288	4.3
451.10574	46.5
451.21155	100.0
452.21658	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	451.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.1
57.03439	5.5
59.01378	34.7
61.98821	13.3
69.47677	6.9
71.01379	36.5
73.02952	15.5
76.39562	1.9
78.91882	36.3
80.91682	10.3
83.01398	9.0
85.02952	20.2
89.02432	12.5
95.01392	3.6
97.02964	1.9
99.00845	4.4
101.02442	31.7
104.63177	1.6
109.02884	2.0
110.34098	1.5
113.02438	19.9
117.03502	2.0
118.02505	1.7
119.03487	2.7
125.02439	13.3
137.02481	3.0
147.02972	1.6
151.00351	1.7
159.03004	2.9
161.02452	4.8
161.04553	14.2
163.03983	2.2
189.09271	2.2
207.10228	10.4
209.11699	2.0
221.62054	1.8
274.76465	1.6
289.06137	3.0
289.16547	19.8
305.06775	5.5
369.15414	8.5
391.12985	3.2
451.12457	4.0
451.21228	100.0
452.21597	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	451.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	25.2
61.98824	5.9
69.15049	14.8
69.15456	15.8
91.85461	6.1
93.03455	45.4
101.02425	5.6
109.02935	5.9
113.02387	5.1
123.00898	7.9
124.01691	12.8
125.02440	36.0
125.04103	5.6
127.35766	5.6
137.02451	71.9
149.99600	27.6
151.00331	5.4
168.00626	68.4
169.01410	11.7
229.82697	5.3
238.08411	18.2
253.10777	16.7
268.13080	7.4
313.05594	17.2
316.59976	6.2
331.06775	34.7
413.17981	20.9
415.16190	5.9
451.08755	100.0
451.21060	70.1
462.07733	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	451.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30508	2.0
55.01872	1.7
57.03436	2.1
59.01377	36.2
61.98824	8.1
69.16275	8.3
71.01373	14.3
73.02950	5.9
78.91886	13.7
80.91685	10.6
83.01386	3.3
83.04565	1.4
83.11636	1.7
85.02954	6.9
89.02435	3.9
93.03461	39.3
95.01434	1.8
96.96010	6.0
99.00845	3.1
101.02431	11.3
101.07967	1.7
107.01375	1.9
109.02969	1.8
113.02438	9.2
123.00890	3.0
123.04529	3.4
125.02434	13.1
137.02443	100.0
138.02861	2.0
139.04028	6.8
141.02051	1.7
151.00385	5.3
151.04053	3.5
154.73911	1.6
157.01999	1.6
161.02470	1.9
161.04535	6.5
167.03435	2.2
169.01402	18.2
169.05006	4.2
175.22507	1.7
179.03526	1.8
189.01939	2.4
207.06743	1.6
217.01442	2.9
229.18132	2.0
237.06874	2.1
247.13266	2.0
273.38217	1.7
289.16553	3.9
291.50296	1.5
311.05743	2.2
313.05707	3.4
313.08939	2.1
331.06677	5.2
357.06107	3.4
391.23407	2.1
451.08801	24.9
451.21277	31.3
452.21347	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	451.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83381	4.3
56.24498	4.0
59.01380	26.9
61.98826	32.7
65.88788	4.1
68.03693	4.0
69.17600	3.9
71.01372	9.6
73.02938	5.1
75.23916	3.9
79.98666	3.8
83.01370	7.0
83.17146	3.8
85.02960	7.9
101.02424	9.1
109.02948	58.7
123.93583	3.9
125.02438	45.0
126.02767	15.6
127.02969	10.3
140.80290	5.0
151.00375	11.4
152.01048	4.5
153.01920	88.4
169.01385	6.7
172.05283	4.9
173.72084	3.8
177.01900	6.4
245.00864	8.3
255.72415	4.4
259.06079	14.1
260.06424	13.8
261.06631	23.5
269.04526	13.4
270.04849	12.2
271.05020	27.6
273.00455	10.1
287.05630	15.7
288.05997	9.7
289.06180	24.4
297.06186	36.9
313.79288	4.3
451.10574	46.5
451.21155	100.0
452.21658	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	451.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	36.1
61.98829	10.8
69.11469	39.0
69.56183	5.4
71.01395	14.5
73.02930	6.5
74.77280	5.5
84.94923	5.3
85.02937	7.2
96.95997	6.7
101.02463	13.9
125.02454	12.3
129.17542	6.3
153.93105	5.3
188.43343	5.9
193.45987	5.9
209.00214	5.4
249.14885	6.1
257.89413	6.5
303.51004	5.6
415.14182	8.6
415.23483	11.3
437.83789	6.1
451.08237	9.5
451.21017	100.0
452.21295	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34828	2.1
54.78173	2.1
59.01380	100.0
61.98825	25.8
67.37434	2.9
70.05865	3.7
70.06200	5.1
71.01373	17.6
71.09173	2.7
73.02943	6.9
80.42803	2.2
83.01346	2.9
85.02929	3.3
89.02482	11.8
93.03441	3.0
96.95984	16.1
97.52544	2.3
98.22015	3.2
101.02407	14.3
108.02179	20.3
109.02221	3.3
109.02951	62.4
113.02424	9.2
119.03481	5.6
123.00845	4.4
125.02397	11.2
137.02426	3.4
138.03268	2.4
151.04010	2.5
152.01158	30.6
153.01938	75.3
161.04576	3.3
169.01372	7.6
177.01849	5.7
177.09138	11.4
193.01479	2.6
194.05750	5.3
195.02927	10.3
204.61765	2.5
225.04015	3.9
253.07240	5.3
253.10622	7.4
288.02655	6.8
289.03571	16.2
289.06180	3.5
297.06177	13.0
315.07150	6.4
331.17496	5.8
349.18539	8.2
391.19598	13.5
407.09686	9.6
415.15817	7.5
428.21823	2.5
451.08591	82.7
451.21219	47.1
452.08749	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.7
61.98812	18.9
69.20630	45.9
69.21027	28.8
70.30750	10.4
71.01353	13.5
109.02959	16.3
164.80737	11.2
415.23328	22.6
426.03137	12.1
451.20920	100.0
479.69669	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	451.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
57.03433	3.7
59.01379	33.5
61.98819	5.8
71.01377	35.1
71.08093	3.3
73.02950	14.6
78.91887	35.0
80.91672	9.1
82.41814	2.2
83.01363	8.5
85.02937	15.9
89.02434	9.7
93.03442	4.0
99.00864	5.9
101.02432	28.3
113.02451	19.9
119.03566	2.4
119.05040	2.4
125.02435	11.8
129.01892	2.4
137.02437	7.9
139.04025	2.8
159.03012	2.7
161.02422	2.6
161.04546	13.2
207.10284	8.1
289.16699	17.9
305.06674	3.4
306.07224	2.4
341.89069	2.5
369.15546	6.6
377.45175	2.4
451.12628	4.9
451.21164	100.0
452.21628	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	451.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65881	2.4
59.01371	8.9
61.98820	7.0
69.36691	13.8
78.91881	29.5
83.01311	2.8
84.76233	2.5
86.91314	2.4
93.03461	44.2
96.96016	32.3
98.22601	6.4
99.04929	2.7
109.02900	5.0
123.00832	5.4
124.01669	13.4
125.02459	37.9
127.39838	3.1
128.10786	2.5
137.02444	100.0
138.02835	3.1
139.03979	3.6
140.41277	2.9
149.99574	3.1
151.00340	3.4
151.04002	5.5
160.51413	3.1
162.15787	3.0
167.03488	3.6
168.00635	11.2
169.01424	34.3
177.01988	7.2
183.02995	6.5
189.01968	7.3
193.01448	14.9
211.02460	42.9
217.01456	7.4
231.56413	2.7
250.68170	3.1
311.05557	5.9
313.05591	19.4
331.06735	3.6
357.06046	18.0
451.08856	46.5
451.20993	75.2
452.21146	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	451.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.7
59.80263	5.8
61.98825	16.8
63.37183	6.7
69.35345	22.7
71.01369	10.5
73.02959	8.1
95.05042	6.6
101.02395	7.0
125.02450	16.8
125.12328	5.7
137.02428	6.1
141.25684	6.9
153.01926	6.8
167.03456	16.9
245.08260	7.6
253.14291	8.5
331.08209	19.2
357.06241	7.5
415.19934	13.4
451.08630	7.7
451.20993	100.0
452.21078	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	451.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02952	0.3
59.01374	2.1
61.98829	2.6
69.03453	1.2
69.32259	0.8
71.01369	0.6
73.02943	0.3
79.01881	0.8
81.03453	8.3
82.06607	0.6
83.01394	0.2
83.05023	22.4
85.02926	0.2
89.02422	0.4
93.03436	0.6
95.01350	0.3
97.02936	0.6
97.06587	0.2
100.07690	0.2
101.02430	0.5
107.01378	2.0
107.06133	0.6
108.02191	0.4
108.04547	0.8
109.02930	0.4
119.83794	0.2
123.00885	0.5
124.01660	1.3
125.02445	4.0
125.07211	2.5
126.05578	0.7
129.57797	0.2
135.00882	6.1
137.02489	1.1
143.08247	1.2
149.99593	2.2
151.00342	0.2
153.01889	0.4
167.03494	9.4
168.00636	3.8
168.03793	0.2
169.01447	0.3
182.27286	0.2
191.10718	0.3
192.00732	0.4
207.15016	2.7
224.15549	0.3
224.17664	3.8
225.16080	12.1
226.16431	0.3
235.09602	0.3
242.18779	1.4
250.15569	0.5
253.10823	1.0
272.24664	0.2
281.06699	0.4
290.22223	0.2
309.21854	0.5
313.05807	0.2
324.26508	1.6
331.06653	0.5
333.22928	3.7
341.29044	0.2
351.24039	1.1
357.06064	0.3
367.26990	1.5
385.27689	0.3
415.16138	0.6
433.31775	6.1
434.32239	0.6
451.08725	6.4
451.21121	4.5
451.32852	100.0
452.09006	0.4
452.21286	0.3
452.33200	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	451.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81246	6.3
59.01369	30.7
61.98823	18.2
69.44817	19.2
71.01381	10.2
78.91891	9.4
80.91692	14.3
81.88374	5.2
84.28816	6.3
85.02975	8.3
89.02485	6.9
101.02442	17.1
125.02435	6.8
137.02483	7.3
138.03252	29.5
151.04005	7.1
153.54243	5.9
159.18097	6.6
168.06033	6.3
233.11876	10.3
251.12865	28.4
253.14479	100.0
266.35583	7.5
288.02856	16.3
289.03723	11.1
366.21017	8.3
413.18192	46.6
415.19870	52.1
434.76126	6.5
451.07660	8.1
451.21002	72.7
451.26050	9.8
464.67996	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	451.2484
Annotation	20,21alpha-Dihydroxy-22-oxo-21-desoxotingenone
Peak:m/z	Relative Intensity
51.89851	1.0
52.80516	1.0
55.46824	0.9
56.66525	0.9
57.03439	3.7
59.01374	1.4
59.23220	0.8
65.03951	2.3
67.01888	2.7
81.03446	3.9
88.74718	1.0
95.01354	2.3
98.22622	2.2
107.04971	2.0
109.02943	12.0
111.04486	1.4
116.35055	1.0
121.02920	1.3
122.03725	4.0
123.04519	6.4
135.04482	1.6
137.02455	5.2
137.06064	2.2
147.04561	2.2
148.05278	3.6
149.06047	3.4
152.15927	1.0
159.04510	5.3
161.06052	3.1
179.07162	5.9
250.56247	1.1
285.18390	1.1
313.08759	1.0
349.21539	3.0
391.22458	1.2
393.20551	6.5
407.25861	2.9
409.23587	2.3
433.23828	3.7
451.24875	100.0
452.25256	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	451.2487
Annotation	20,21alpha-Dihydroxy-22-oxo-21-desoxotingenone
Peak:m/z	Relative Intensity
57.03425	0.5
61.98821	0.4
65.03949	2.1
67.01888	0.4
67.29994	0.2
68.99815	0.5
69.23182	1.2
79.05517	0.3
81.03449	1.0
93.03453	1.1
95.01379	0.4
107.05012	2.2
108.02178	2.2
109.02958	8.7
111.04524	0.4
119.05008	0.6
121.02955	5.3
122.03741	5.4
123.04535	1.6
135.04524	3.7
137.02458	0.6
146.03691	0.5
147.04523	0.4
148.05299	0.4
149.06035	0.4
150.03210	0.8
150.06848	0.4
151.04010	10.3
154.02753	0.4
155.52275	0.2
160.05225	0.3
161.02467	1.6
162.03223	1.6
163.04010	11.2
164.04805	3.5
172.05322	0.5
173.06093	0.3
174.03238	0.5
175.03978	1.4
176.04778	0.9
177.05539	0.8
187.07730	0.2
188.04807	0.3
190.06253	0.3
196.03795	0.7
245.18895	0.3
273.18484	0.8
285.18631	0.4
287.20123	3.2
299.20068	0.8
323.23907	0.4
349.21902	0.4
354.10007	0.3
365.24786	3.3
381.24295	1.0
383.25906	0.3
391.22672	1.0
393.20752	0.4
407.26050	1.9
409.23807	7.0
410.24060	0.6
433.23834	1.2
451.24863	100.0
452.18948	0.4
452.25186	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	451.2486
Annotation	20,21alpha-Dihydroxy-22-oxo-21-desoxotingenone
Peak:m/z	Relative Intensity
57.91491	1.6
61.98819	4.5
65.82037	2.1
69.77079	1.8
71.44487	1.7
71.53738	1.7
78.95889	1.8
79.51299	1.9
81.03459	2.8
93.03434	1.6
108.02151	13.6
116.92810	2.4
121.02982	3.0
122.03766	8.3
123.00925	2.9
123.04495	7.4
124.00829	2.8
124.01665	34.1
124.23125	1.7
125.02438	2.7
134.03658	2.0
135.04494	4.3
136.01685	1.8
150.03267	3.9
164.04794	4.4
285.20807	2.0
381.24222	3.9
423.25516	3.0
433.23801	7.9
438.72449	1.9
451.24869	100.0
452.25244	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	451.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83087	0.7
55.01872	0.8
57.03448	7.4
59.01379	100.0
60.01702	0.8
61.98828	9.0
69.03457	1.1
71.01379	14.4
72.99321	1.5
73.02950	5.7
75.00880	2.4
80.91674	1.0
81.03471	2.0
83.01378	4.3
85.02937	7.7
87.00896	2.4
89.02438	5.9
89.02829	0.5
93.03474	1.4
95.01418	2.6
95.05009	0.7
97.02970	0.8
99.00897	2.7
101.02441	11.1
101.06084	4.0
105.03484	2.0
109.02962	1.5
113.02443	7.7
117.05640	1.7
119.03484	1.5
119.05015	6.7
122.70087	0.7
124.01696	1.1
125.02449	50.4
126.02793	1.2
126.76804	0.7
133.02998	1.1
137.02443	10.6
139.04039	2.5
139.11327	0.8
145.03011	1.9
149.02475	0.9
151.00403	1.8
151.04071	1.0
153.01961	1.8
159.03046	1.2
159.57916	0.7
161.02441	18.2
161.04486	6.8
162.03079	1.0
163.03996	8.2
165.02005	2.5
167.03523	1.6
167.14368	0.7
169.01479	2.0
177.05646	2.4
179.03648	1.1
181.16049	1.2
183.13979	1.8
183.83699	0.7
189.01987	0.8
193.01439	0.7
196.25629	0.7
200.05048	0.8
227.16647	2.4
229.14493	4.2
229.18082	1.3
249.06203	0.8
253.14589	1.1
261.07773	0.8
269.04666	2.0
269.08194	1.9
271.15561	1.0
287.05624	5.3
289.10724	0.9
289.16690	2.1
305.06726	6.1
391.23398	39.7
392.23856	2.5
393.13977	1.4
407.19339	1.2
409.21484	0.8
451.09564	3.1
451.17737	3.8
451.22739	15.4
452.22336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92909	38.1
54.79415	44.8
55.31689	43.7
57.37292	40.2
69.80167	100.0
69.80486	52.6
103.00787	39.7
113.21335	42.2
137.92004	41.2
245.49576	39.4
265.35605	52.5
469.73019	49.6
470.32172	46.1
475.89429	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2849
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
55.01883	1.6
61.98831	0.3
69.27808	0.4
69.28213	0.7
79.05540	0.2
81.03461	4.2
83.05015	0.6
93.03440	0.4
95.05044	1.1
95.05527	0.2
105.07076	0.5
122.03739	3.5
123.04530	2.6
135.04523	3.7
136.05299	3.9
137.06090	6.0
149.06087	5.9
150.06816	0.6
161.06047	0.4
162.06836	0.3
163.07599	0.6
173.06085	0.5
175.07658	1.8
177.09218	0.4
185.53212	0.2
191.10815	0.6
202.94034	0.2
205.12321	0.2
219.13860	0.2
237.05771	0.2
259.16959	0.3
259.20660	0.4
265.14365	0.4
269.15625	0.2
273.18591	0.3
285.18671	0.3
287.20090	0.3
299.20279	0.3
301.21759	2.5
313.21704	0.6
315.23276	1.1
321.74243	0.2
325.21802	0.4
327.23285	0.3
339.23206	0.2
365.28452	0.5
367.26352	0.7
377.24725	0.3
381.28015	1.8
391.26471	0.9
395.25778	0.8
407.29556	6.9
408.29642	0.3
409.27512	2.6
410.27914	0.3
433.27634	0.4
451.28506	100.0
452.28888	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	451.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67769	0.9
55.01869	3.2
59.01377	6.5
94.92483	1.4
98.21996	4.4
98.22691	2.2
123.00857	2.6
137.02428	1.0
139.00240	1.0
167.03444	2.8
193.50343	0.9
221.19113	1.2
223.20534	1.5
252.10110	0.8
265.21698	2.9
277.21759	1.4
321.20694	100.0
322.21069	6.2
333.20856	1.7
333.24448	9.8
377.27090	1.5
391.28336	1.1
419.27994	33.6
420.28345	1.3
451.30646	57.7
452.31009	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	451.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00410	0.8
52.45158	0.8
52.63715	0.9
71.44906	0.9
91.97316	0.8
95.01387	4.6
109.02949	2.8
116.92834	1.0
122.99983	2.0
123.00882	35.5
124.01646	2.0
137.02437	9.2
151.00378	1.9
165.01901	12.0
179.07132	2.0
193.08762	1.2
219.53069	0.9
221.11615	0.9
249.14833	1.1
263.16537	1.1
270.81964	1.0
305.21292	1.0
329.47574	1.0
345.24243	1.4
406.23428	2.1
419.28061	6.2
421.25937	100.0
422.26102	7.1
436.28253	48.0
437.28671	3.0
451.30569	24.5
452.30923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73865	0.1
55.84541	0.1
58.02967	0.4
59.01383	0.3
61.98822	0.5
66.42640	0.1
70.02937	0.1
72.99297	0.3
78.86186	0.1
80.05067	0.3
81.03456	8.2
82.03775	0.1
82.06617	0.7
83.05025	25.7
84.05347	0.4
85.02931	0.1
98.22672	0.3
100.07686	0.3
107.06123	0.8
108.02197	0.1
108.04544	0.9
124.01658	0.2
125.02470	0.2
125.07216	2.9
126.05590	0.5
128.11183	0.1
137.02415	0.2
143.08263	1.7
167.03499	0.2
168.00699	0.1
191.10742	0.3
207.15022	3.3
208.13396	0.2
224.15942	0.1
224.17670	4.5
225.16066	13.6
226.16533	0.5
235.09760	0.4
242.18683	1.7
250.15508	0.5
253.10805	1.6
268.16635	0.2
281.06619	0.2
290.22467	0.3
292.20486	0.2
306.21771	0.3
307.23941	0.4
309.21829	0.5
324.26511	1.9
325.26819	0.1
333.22943	4.8
334.23227	0.2
339.27509	0.3
341.06381	0.1
341.29279	0.2
350.24588	0.1
351.24033	1.3
367.27118	1.3
383.30194	0.1
385.28110	0.2
406.30402	0.2
415.15979	1.2
415.30731	0.1
416.16107	0.1
433.31812	7.2
434.31921	0.7
451.21472	2.5
451.32855	100.0
452.33167	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	452.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	0.3
59.01370	1.8
61.98825	100.0
63.99057	0.3
69.25864	1.5
73.06036	0.2
98.28162	0.3
117.84086	0.2
118.28054	0.3
119.07676	0.2
125.02415	0.6
138.46396	0.2
138.58659	0.3
244.30359	0.3
302.26770	0.3
309.59244	0.3
331.17474	0.3
342.09427	0.3
388.85031	0.3
452.12415	0.6
452.21704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99297	0.2
55.60962	0.3
57.03445	0.8
57.89994	0.3
59.01384	3.3
60.01720	0.4
61.98830	100.0
65.18777	0.2
67.10136	0.2
70.14076	0.3
71.01398	1.3
71.16043	0.3
73.02942	0.9
78.91895	1.2
79.69801	0.3
80.91691	2.4
81.03474	0.3
82.95412	1.9
83.01407	1.4
85.02966	0.9
86.23795	0.2
89.02447	0.4
93.03461	0.5
98.22678	0.7
101.02464	1.4
109.01687	1.0
113.02481	0.6
119.05060	0.3
123.00901	0.3
125.02444	5.7
125.03286	0.4
126.02768	0.6
137.02463	0.9
151.00401	0.8
152.00694	0.4
161.02472	0.5
165.01961	0.3
169.01434	0.5
170.01830	0.3
177.01955	0.3
189.07008	0.5
217.05153	0.4
227.07198	0.9
235.29333	0.3
244.06287	0.6
306.06677	0.3
332.07181	0.5
334.84445	0.3
422.04266	0.3
451.21924	0.4
452.09070	1.4
452.21622	2.8
453.20901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76450	3.1
56.86045	3.4
57.12227	2.9
59.01367	13.8
61.98837	4.5
69.22538	12.8
69.22945	8.2
98.21886	8.7
98.81205	3.4
101.02449	4.4
112.41514	3.5
121.02950	100.0
128.42583	3.5
150.41743	3.7
162.74504	3.5
175.04366	3.9
191.62091	3.4
191.82677	4.1
287.59753	3.5
390.27081	3.9
394.09729	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	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01381	45.1
61.98829	50.5
69.47469	6.6
69.91011	1.8
71.01373	23.5
72.99304	2.5
73.02942	14.8
78.11121	1.6
80.95126	1.7
83.01407	12.7
85.02950	12.4
85.60776	1.7
87.00853	2.5
89.02453	4.6
90.47659	1.6
91.06799	1.7
97.02950	2.4
99.00877	5.4
100.52830	1.5
101.02443	34.0
103.03996	1.7
113.02467	12.2
116.55116	1.8
121.02973	3.4
125.02406	6.5
161.04539	9.3
163.06133	2.0
263.14969	58.6
345.63019	1.8
391.23569	1.9
392.23773	9.8
409.20789	100.0
410.21078	5.2
436.15903	1.8
453.14905	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	452.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00434	1.1
69.97469	1.3
78.01108	2.2
98.15884	1.2
120.67863	1.3
137.02419	3.7
147.96164	1.6
165.05556	1.8
167.14409	2.6
187.13736	1.4
190.43556	1.3
191.14417	12.1
197.15434	3.7
223.13420	3.1
249.14920	2.9
249.18600	14.0
250.15729	7.1
253.14441	24.1
265.21594	2.1
267.15967	2.6
275.20126	2.5
293.21225	100.0
294.21524	5.4
305.21121	1.6
311.14996	12.9
315.19797	2.0
333.20865	3.1
377.19507	7.8
409.22287	4.1
452.28491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.27165	2.2
75.74051	0.3
90.76962	0.4
94.86839	0.4
99.92651	0.4
116.92869	1.0
117.92935	0.4
118.89961	1.2
138.03275	0.6
164.83629	1.0
223.20750	0.5
247.20784	0.6
279.19693	0.4
306.20859	0.6
357.25339	0.4
367.21475	1.8
408.12256	0.4
452.10471	0.4
453.26608	2.0
470.40106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31375	0.5
56.34560	0.5
61.98827	100.0
69.37900	2.2
110.72218	0.4
162.83919	12.9
162.85255	0.8
293.17703	0.5
294.17911	0.9
297.40732	0.5
390.09955	0.7
392.14627	3.8
452.20343	1.7
452.26898	0.6
453.22754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.68861	0.8
67.99630	0.8
75.64616	0.8
88.40894	0.8
116.73998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
61.71796	0.3
61.98835	0.4
62.96399	0.4
68.10573	0.2
70.10448	0.6
75.01582	0.2
78.95900	17.6
122.00126	0.6
123.00891	0.4
140.01187	4.8
142.16624	0.3
152.99588	1.4
196.03790	9.2
214.04881	2.2
255.23271	100.0
256.23633	4.7
265.14752	0.3
307.19284	0.6
321.20728	0.4
334.07550	0.3
349.20007	1.3
414.27261	0.9
440.94040	0.3
452.27795	29.7
453.28104	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	453.07
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80222	0.4
59.01374	10.5
65.97546	0.4
67.31995	0.4
69.49590	0.4
71.01376	1.7
74.44285	0.4
78.95891	3.3
79.95730	2.8
85.02975	0.4
87.00896	0.5
88.20819	0.4
95.75351	0.4
96.96008	100.0
96.96896	5.1
97.93134	0.5
98.21754	0.5
98.90713	0.7
98.93923	0.9
101.02427	1.2
113.92635	0.6
114.93405	7.3
127.45675	0.4
160.97723	0.5
170.99770	0.9
198.99155	0.7
217.22942	0.4
223.02687	0.4
228.94742	0.4
259.01434	0.8
269.10355	0.7
367.03088	0.7
367.07022	3.1
452.25662	0.5
453.03369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17168	0.2
54.81718	0.2
59.01373	0.4
59.89037	0.2
65.65443	0.2
70.50989	0.2
73.26086	0.2
76.98705	0.2
79.95737	6.5
80.02505	0.2
83.52056	0.2
84.72916	0.2
96.96007	100.0
97.95967	0.2
107.67589	0.2
110.97578	0.5
116.24748	0.2
121.02956	0.5
135.04561	0.3
137.02449	0.5
141.42143	0.2
146.02383	0.2
165.20190	0.2
189.05527	0.3
233.80388	0.3
234.54982	0.2
267.06671	0.3
268.07370	0.6
269.08124	1.5
283.09708	1.7
284.10489	0.4
311.09320	0.4
311.13074	0.2
312.09219	0.2
328.09378	0.6
340.09488	0.4
343.11902	0.7
355.11761	0.3
453.08578	35.4
454.08917	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	453.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73862	0.1
59.01377	2.4
61.98817	0.3
64.21272	0.1
69.03453	0.2
69.61301	0.1
70.84911	0.1
71.01371	0.6
73.02943	0.9
75.00882	0.1
79.95737	2.3
81.59956	0.1
83.01396	0.3
85.02960	0.2
89.02450	0.3
96.96008	100.0
97.95924	0.3
99.00880	0.1
101.02452	0.8
109.35194	0.1
110.97608	0.2
113.02422	0.4
123.00880	0.1
124.01693	0.2
125.02449	5.0
137.02446	0.3
146.17731	0.1
151.03999	0.2
161.04541	0.2
173.44487	0.1
175.03928	0.1
227.30952	0.1
269.08142	0.2
283.09775	0.2
343.12082	0.2
453.08591	23.7
453.22058	1.0
454.08963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50788	0.3
54.74747	0.3
54.77675	0.3
59.01370	1.2
61.98826	1.0
67.01879	1.0
69.03448	0.5
71.01387	2.6
71.07854	0.5
73.02940	0.7
79.01897	0.6
81.03449	0.8
82.00603	0.7
83.01387	0.9
85.02952	1.4
87.00845	0.6
89.02438	0.5
95.01380	1.4
97.02971	1.2
99.00887	0.5
101.02478	1.7
107.01385	6.0
109.02958	0.4
111.00872	2.0
113.02437	1.2
121.02970	0.4
122.99982	0.4
123.00887	14.2
124.01661	30.6
125.02451	33.1
126.02776	0.8
127.00378	0.7
136.98793	1.1
137.02419	1.1
138.03224	1.3
139.00388	3.0
139.02994	0.6
139.04010	7.1
140.01144	2.7
141.01936	2.5
151.00371	7.3
151.03967	0.5
153.01923	1.0
159.21944	0.3
160.51711	0.3
165.01930	0.4
166.99844	0.4
168.00650	6.1
169.01422	39.7
170.01775	0.8
177.01871	0.7
179.03496	0.6
183.02980	3.4
186.97826	0.3
202.78038	0.4
211.02463	0.8
215.03502	0.5
225.04109	0.6
241.03577	0.5
243.03120	0.3
259.02417	0.4
271.02319	0.4
285.06155	0.6
287.52393	0.3
297.06140	2.1
313.05673	7.4
314.06177	0.4
315.01764	0.4
326.62820	0.3
327.07138	1.4
381.07153	0.3
453.10355	100.0
454.10641	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	453.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57893	0.4
55.01862	0.6
56.06012	0.4
59.01363	0.8
60.23867	0.3
61.98833	0.5
64.79933	0.4
67.96184	0.4
69.03452	1.0
69.36533	1.8
69.36826	0.4
71.01375	2.3
72.31231	0.3
73.02943	0.8
78.01104	0.4
79.01905	0.8
80.59787	0.4
81.03461	0.9
81.82546	0.4
83.01361	1.1
85.02937	1.0
95.01380	1.7
97.02946	1.3
99.00946	0.4
101.02437	1.4
103.37300	0.4
107.01390	6.1
111.00860	1.4
113.02450	1.7
121.02930	0.4
123.00884	14.6
124.01667	30.8
125.02449	32.1
127.00356	0.5
136.98779	0.6
137.02432	0.9
138.03238	1.6
139.00374	2.0
139.04019	7.4
140.01151	2.2
141.01944	2.2
149.49977	0.3
151.00375	6.3
153.01915	0.7
163.04030	0.5
165.01918	0.4
166.02745	0.4
167.03491	0.6
168.00638	5.9
169.01418	37.7
170.01718	1.1
183.02968	4.2
195.02988	0.6
211.02365	0.7
225.04044	0.8
241.03583	0.7
253.03596	0.6
285.06198	0.9
297.06146	1.7
299.78476	0.5
311.46344	0.4
313.05646	7.7
327.07278	1.1
418.75687	0.4
453.10364	100.0
454.10721	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	453.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
59.01376	93.9
61.98828	39.1
62.29571	1.7
64.29963	1.5
66.95899	2.2
71.01384	13.5
71.66749	1.6
73.02938	8.3
80.91676	19.9
82.95410	100.0
83.01373	5.7
84.00881	1.9
85.02951	6.2
86.47015	1.8
89.02460	4.0
93.03448	2.8
95.01311	1.9
96.96040	8.4
101.02444	9.2
105.42878	1.8
109.57690	1.6
113.02451	7.0
125.02446	26.4
137.02435	3.0
139.75259	1.6
151.04008	2.7
153.09175	2.2
159.04486	2.4
161.02454	2.5
161.04544	5.4
177.01923	3.1
217.05064	1.8
229.05125	1.8
249.14888	1.8
265.52826	1.6
269.94427	1.7
331.17657	7.8
338.27344	1.8
373.18622	6.0
453.08456	4.0
453.21021	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	453.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01377	100.0
60.01722	0.8
61.98823	1.5
69.03466	1.3
69.18913	0.9
69.19318	2.5
71.01376	11.0
73.02953	4.1
83.01395	1.9
85.02945	4.4
89.02451	1.1
95.01403	1.1
96.96018	1.3
97.02950	0.8
99.00911	1.3
101.02446	6.9
112.33731	0.5
113.02467	4.6
125.02448	18.0
143.03551	0.6
147.06032	0.5
159.03052	0.7
161.04584	4.8
243.41937	0.5
331.17599	9.6
331.21503	0.6
332.18124	1.0
373.18799	3.8
431.04120	0.6
453.22116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01377	100.0
60.01722	0.8
61.98823	1.5
69.03466	1.3
69.18913	0.9
69.19318	2.5
71.01376	11.0
73.02953	4.1
83.01395	1.9
85.02945	4.4
89.02451	1.1
95.01403	1.1
96.96018	1.3
97.02950	0.8
99.00911	1.3
101.02446	6.9
112.33731	0.5
113.02467	4.6
125.02448	18.0
143.03551	0.6
147.06032	0.5
159.03052	0.7
161.04584	4.8
243.41937	0.5
331.17599	9.6
331.21503	0.6
332.18124	1.0
373.18799	3.8
431.04120	0.6
453.22116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90639	0.9
59.01380	100.0
59.31921	0.8
61.98845	1.8
69.40628	1.0
71.01387	6.9
73.02958	2.9
80.91673	1.2
83.01371	1.9
85.02956	4.1
93.03455	8.5
94.03788	3.8
96.96006	4.9
97.02930	1.5
101.02454	7.3
113.02451	4.1
124.01676	2.8
125.02444	15.5
137.02463	17.3
138.02776	7.6
139.02959	3.4
139.04004	2.7
140.04323	1.5
141.04404	1.0
161.04535	5.0
167.03534	3.0
169.05029	3.5
170.05466	1.6
171.05588	1.2
217.04965	1.1
266.38742	1.1
331.17572	12.9
357.42087	1.0
372.97287	1.1
373.18683	8.9
397.02606	1.1
453.08344	2.1
453.20917	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01377	100.0
60.01722	0.8
61.98823	1.5
69.03466	1.3
69.18913	0.9
69.19318	2.5
71.01376	11.0
73.02953	4.1
83.01395	1.9
85.02945	4.4
89.02451	1.1
95.01403	1.1
96.96018	1.3
97.02950	0.8
99.00911	1.3
101.02446	6.9
112.33731	0.5
113.02467	4.6
125.02448	18.0
143.03551	0.6
147.06032	0.5
159.03052	0.7
161.04584	4.8
243.41937	0.5
331.17599	9.6
331.21503	0.6
332.18124	1.0
373.18799	3.8
431.04120	0.6
453.22116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40401	1.0
56.87868	0.9
59.01377	100.0
61.98827	5.1
63.14585	0.9
71.01383	6.0
73.02934	1.8
81.03406	1.0
82.59377	1.0
83.01413	2.0
85.02937	5.1
87.00874	3.7
89.02474	2.3
91.60528	0.9
95.01398	0.9
99.00864	1.6
101.02425	5.8
108.02210	1.1
109.02932	1.3
113.02444	3.8
118.98094	2.3
123.00859	1.7
124.01694	1.3
125.02468	8.1
125.06109	1.1
137.02493	1.7
139.00388	1.1
139.04071	1.0
153.01930	2.3
165.01936	2.1
169.01398	3.9
195.06674	1.5
225.07729	1.2
235.11833	5.3
275.11499	2.1
349.15036	16.5
367.16034	9.0
368.16574	1.1
409.17233	3.2
453.04535	1.1
453.09976	4.2
453.23264	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	453.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
59.01374	2.8
67.53607	0.2
69.03445	3.8
69.29383	0.8
71.01374	0.5
72.31321	0.3
79.01893	1.2
80.91683	2.7
81.03451	1.4
83.01382	1.9
95.01384	0.4
96.96004	0.4
97.02941	3.3
101.02418	0.3
107.01405	1.6
107.27875	0.2
110.92486	0.2
113.02433	0.3
123.00880	0.9
124.01678	1.3
125.02443	100.0
126.02758	2.0
130.24083	0.2
137.02428	0.4
138.26793	0.2
139.11194	0.4
151.04053	0.2
167.03497	0.3
183.10278	0.9
233.19345	0.2
242.73305	0.2
269.06708	0.9
287.07773	1.3
387.51572	0.2
423.22769	0.3
453.17551	2.7
453.22269	1.6
454.76730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83590	0.4
59.01376	100.0
60.01703	1.0
66.66741	0.4
70.19491	1.0
99.09765	0.4
104.87885	0.5
139.77594	0.4
173.06030	0.6
174.06876	4.7
189.09209	21.3
190.09639	0.7
237.36169	0.4
249.15205	0.5
267.05569	0.5
279.19498	0.5
292.92072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09113	1.1
55.01860	2.0
56.40892	0.9
57.03429	4.2
59.01380	24.7
61.98820	5.8
69.03444	1.9
70.94665	1.1
71.01382	30.4
72.07277	1.0
72.99305	1.2
73.02943	14.8
75.00874	7.6
77.42822	1.0
80.10358	1.0
81.03437	1.2
83.01387	8.4
85.02519	1.3
85.02953	15.1
85.18879	1.2
87.00871	1.8
88.98762	1.3
89.02449	9.4
93.03437	2.7
95.01369	3.7
97.02929	3.5
97.39213	1.0
99.00872	6.4
101.02441	30.9
107.01376	5.4
109.02935	4.8
111.00897	1.7
113.02442	16.4
115.03925	1.3
115.10525	1.0
120.99625	1.3
121.02970	5.7
123.00871	4.8
124.01646	8.7
125.02444	39.3
131.03499	1.2
132.09769	1.1
137.02409	6.3
138.03200	3.2
139.00381	2.5
139.04005	33.6
140.01118	3.5
141.01935	1.3
143.03468	2.4
143.05048	1.2
149.02460	2.4
151.00354	2.3
151.03995	1.7
153.01961	6.4
155.02376	1.2
155.03520	1.9
159.02960	3.7
159.04337	2.0
161.02446	1.4
161.04552	16.1
167.03479	2.0
168.00566	5.0
169.01430	19.3
171.04486	3.0
175.03908	2.4
183.03021	9.0
183.04509	2.1
183.92052	1.0
185.02361	1.3
187.03978	4.8
193.01460	1.7
199.04022	4.9
201.01888	1.7
203.03575	2.3
211.04068	1.5
213.01817	3.1
214.02744	1.3
215.03426	8.7
216.00610	2.3
225.07666	1.4
227.03560	7.1
229.01334	1.9
231.03050	5.3
239.03394	1.4
241.01430	1.4
242.12587	1.2
243.03011	12.4
249.05972	3.1
255.02925	3.7
259.02469	7.3
261.13419	32.4
262.13577	1.7
269.00824	2.5
271.02383	7.5
279.06473	1.1
283.02515	4.3
285.00497	1.5
287.01926	3.6
297.00409	1.7
301.09344	2.7
313.05804	5.5
315.01401	5.0
319.06174	1.9
323.05304	1.6
327.01343	2.8
327.07156	5.9
337.06870	1.3
363.05014	1.1
365.06668	2.5
371.09872	1.9
381.05875	1.9
390.18240	1.1
391.04471	4.9
393.17642	100.0
394.17743	5.0
409.05554	3.6
411.18707	1.8
425.04877	3.5
435.03540	3.4
453.04498	8.0
453.10278	52.4
453.23743	6.0
454.04715	1.5
454.10550	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	453.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79454	1.0
55.01849	1.0
57.03435	2.4
57.34149	1.0
59.01378	100.0
60.01712	1.7
61.98821	2.8
69.67091	3.1
71.01376	22.6
72.99306	2.1
73.02943	17.0
74.18789	1.0
75.00879	7.3
81.03458	1.5
83.01392	4.1
85.02947	7.3
87.00874	5.7
87.04507	2.2
87.15733	1.0
89.02436	30.0
94.08840	1.0
95.01400	1.3
96.10452	1.1
101.02438	37.5
103.04004	11.0
113.02446	5.7
115.04000	3.9
119.03500	12.0
124.01653	6.3
125.02437	9.3
127.03992	1.3
130.44624	1.0
131.03505	6.2
137.02444	2.0
139.00429	1.3
139.03969	1.6
140.01164	1.7
143.03514	7.5
145.05046	2.5
149.02473	1.2
150.12581	1.0
161.04524	1.6
162.96745	0.9
163.06120	51.1
165.01926	3.0
167.03471	1.1
168.00636	1.3
169.01401	2.1
171.04538	1.6
175.03925	1.5
179.05681	5.2
179.06993	1.0
187.04008	2.9
189.73988	1.0
195.06644	1.3
199.04002	2.6
205.07150	14.2
215.03510	3.9
225.07791	1.3
227.03485	2.8
231.02962	1.7
231.06346	1.9
243.03027	5.5
243.06255	1.0
247.11899	3.3
255.03053	2.5
259.02399	2.7
265.09241	6.1
269.01016	1.8
271.02472	4.4
281.49472	1.1
285.00415	1.6
287.02032	1.6
297.00385	2.2
313.06168	1.2
315.01447	2.9
327.01349	1.6
360.90906	1.1
365.06439	2.0
381.06003	2.0
391.04800	2.2
393.17621	31.8
394.18079	1.5
409.05560	1.9
415.12454	12.3
417.13132	1.6
425.05106	1.6
435.03632	1.5
453.04636	5.7
453.09973	1.8
453.23703	7.7
454.19189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42542	4.4
56.67389	4.4
59.01380	73.3
61.98846	4.8
69.22452	25.8
71.01384	25.1
71.01734	3.9
73.02953	11.4
74.52408	4.1
76.46130	4.7
80.91677	11.0
85.02949	8.1
86.54487	4.5
89.02445	10.6
93.03467	14.9
98.21855	11.0
101.02441	19.8
103.03989	9.1
104.05846	5.1
108.16389	4.9
109.02930	4.6
113.02450	12.8
124.01738	8.7
125.02449	100.0
126.02684	4.5
136.03497	4.6
137.02435	21.1
138.02817	8.3
149.06065	6.8
149.99606	11.2
161.04543	7.9
168.00633	16.3
169.01163	13.2
170.01038	7.6
191.10779	6.1
209.11919	11.5
333.06921	12.9
371.17038	15.9
431.85315	5.9
453.09348	55.1
453.21994	72.0
454.21973	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	453.2124
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
55.01863	0.7
56.45596	0.4
57.03452	0.4
59.01377	100.0
60.01718	0.7
60.42209	0.4
65.71195	0.4
68.24289	0.4
71.01382	6.6
71.32464	0.5
72.32691	0.4
72.99302	0.6
73.02936	3.0
77.42206	0.4
80.23183	0.4
83.01397	1.7
85.02953	3.3
87.00871	0.5
89.02449	2.1
95.01376	0.6
96.96039	0.5
97.02884	0.4
99.00899	0.5
99.92619	0.6
101.02447	5.0
103.78148	0.4
113.02453	3.2
114.48421	0.4
119.03498	0.5
125.02477	0.9
129.73593	0.4
140.13718	0.4
141.00479	0.5
143.03525	0.5
149.06078	0.8
159.02950	0.8
161.04552	5.7
179.05653	0.5
182.27115	0.5
231.13885	2.3
238.12082	0.6
240.33371	0.4
248.67174	0.5
249.14925	0.7
253.14510	0.5
295.10376	0.5
393.14203	1.8
393.19144	13.6
411.15137	1.3
411.20245	0.9
453.16129	1.2
453.21744	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70359	16.0
59.01370	100.0
59.63765	14.7
62.12619	14.8
69.82616	15.7
117.70351	16.4
125.02473	25.4
168.68491	15.6
171.10297	19.6
249.14876	45.5
453.22510	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	76.3
60.73339	5.8
69.40796	26.8
71.01358	14.8
73.02921	7.5
77.98449	6.1
87.04514	15.4
93.69685	6.6
96.95982	13.8
99.00885	6.6
101.02425	8.6
120.18572	7.3
138.23001	7.4
207.06589	31.4
305.81348	7.0
326.91418	7.0
374.13315	7.3
453.22577	100.0
471.91440	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	453.2262
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
59.01167	2.3
59.01378	23.8
66.28791	2.7
69.03439	2.4
69.27653	11.0
71.01361	3.3
73.02916	2.3
75.80386	2.4
80.91681	4.1
89.28894	2.3
96.96001	16.1
123.00912	3.1
125.02439	100.0
178.75629	2.5
202.76442	2.5
279.26346	2.9
282.67130	2.6
315.97437	2.4
413.81839	2.6
453.08875	4.1
453.22586	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2643
Annotation	Blazeispirol Z
Peak:m/z	Relative Intensity
61.18827	1.5
61.98819	4.9
69.87309	1.5
71.43748	2.0
79.88579	2.2
93.75008	1.9
94.92999	1.6
108.02194	12.1
109.02929	1.9
120.89684	4.9
121.02958	2.0
121.89683	1.9
122.03720	4.9
123.00874	6.2
124.00828	2.6
124.01665	33.4
125.02393	2.8
134.73592	1.5
135.04532	1.9
137.02412	2.5
143.20345	1.8
144.87241	1.6
150.03217	4.7
160.84227	2.3
161.65930	1.7
164.04813	2.1
166.30284	1.7
315.92242	1.6
383.25919	4.5
423.23895	8.2
425.26822	6.0
431.38510	1.9
435.25504	10.3
453.26474	100.0
454.26938	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	453.2643
Annotation	Blazeispirol Z
Peak:m/z	Relative Intensity
57.03453	4.3
59.78806	0.7
59.79161	0.8
61.98811	1.2
65.03947	2.6
67.01889	1.4
68.68330	0.7
69.10358	0.7
70.45573	1.6
81.03448	2.2
85.56394	0.8
95.01385	6.4
97.02973	1.0
108.02140	4.1
109.02937	13.0
109.06584	1.6
111.04512	1.2
121.99020	0.7
122.03735	3.1
123.04470	2.9
129.44627	0.7
135.04514	4.5
136.05281	1.1
137.02469	5.4
147.04494	1.3
149.06128	1.5
180.58461	1.0
184.74278	1.0
198.05350	3.7
224.93712	0.8
230.76059	0.8
287.20212	3.4
299.20233	0.9
301.21585	1.3
351.23410	6.6
367.22470	1.5
367.26501	2.3
377.21329	1.0
387.63907	0.9
393.24081	1.2
395.22189	6.6
409.27521	3.0
411.25470	2.3
435.25354	4.8
453.26434	100.0
454.26764	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11539	18.2
55.06388	14.7
57.06542	16.2
58.89798	20.2
59.01374	35.2
61.98825	22.3
62.39416	15.6
69.66846	65.4
103.56132	16.5
104.12198	16.9
106.80273	21.3
126.26270	19.0
137.06117	100.0
137.07018	24.0
160.84230	17.9
179.07104	36.5
203.34593	18.1
273.94580	16.9
340.46771	17.6
380.35168	19.9
415.10010	22.4
417.29944	74.4
418.03912	39.0
453.29788	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	453.3008
Annotation	Wilforic acid
Peak:m/z	Relative Intensity
54.59377	0.2
55.01874	1.7
59.01373	0.2
61.98787	0.2
69.83581	0.6
71.05003	0.2
81.03451	1.1
83.05022	0.2
95.05035	1.1
98.22534	0.2
108.02196	0.2
122.03738	2.5
123.04510	0.5
123.65622	0.2
127.06670	0.2
135.04514	1.9
136.05307	2.2
137.06050	0.5
149.06078	3.1
150.06873	0.3
156.08154	0.2
163.07626	0.8
174.71262	0.2
177.09120	0.3
191.10780	0.4
205.12381	0.6
247.17186	0.2
259.17117	0.2
261.18594	0.2
273.18622	0.3
287.20200	0.3
301.21750	0.2
327.23096	0.3
341.24628	0.5
353.24725	0.2
353.28574	0.5
355.26343	0.2
367.30054	1.1
369.28009	1.6
379.26486	0.6
383.29532	3.6
384.29678	0.3
393.27899	1.3
397.27524	0.8
407.29599	0.7
409.31097	10.6
410.31488	0.9
411.29053	3.4
412.29425	0.4
453.30066	100.0
454.30444	8.8
462.63821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3009
Annotation	Wilforic acid
Peak:m/z	Relative Intensity
51.02706	0.3
54.39856	0.3
55.01863	1.8
61.98816	0.6
64.05004	0.3
65.78278	0.3
67.72771	0.3
69.53493	0.3
69.53767	1.6
77.82932	0.3
81.03457	1.3
95.05024	0.9
105.07088	1.9
110.89929	0.4
113.88190	0.3
123.04498	0.6
135.04524	0.8
136.05299	11.0
137.06082	4.4
149.06076	16.6
149.76671	0.3
150.06735	1.4
151.07661	0.8
160.84251	0.6
163.07687	2.0
175.07631	0.8
191.10709	0.5
203.10814	0.5
203.82802	0.3
205.12248	0.6
217.12321	0.6
228.04308	0.4
231.13820	0.5
233.15448	0.7
287.20193	0.4
288.21057	0.6
289.21735	0.4
301.21716	2.1
303.23416	0.6
369.27975	0.8
379.26517	0.5
397.27264	1.0
407.29550	0.4
409.31046	5.1
410.31610	0.4
418.04080	0.6
423.25537	0.4
453.30090	100.0
454.30594	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	453.3372
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
67.90829	0.6
69.22125	2.1
69.22527	1.4
77.22733	0.7
98.03154	0.7
122.03740	6.4
123.04514	1.1
129.55933	0.6
131.08691	1.0
154.16341	0.6
168.64067	0.6
175.07629	2.1
176.08397	1.1
188.04747	2.2
189.09174	4.1
195.95938	0.7
203.07124	11.6
217.08755	1.1
218.07196	0.7
259.17245	0.8
262.63553	0.8
289.21722	16.7
317.21167	15.9
318.21637	1.5
355.26407	2.2
356.27145	0.8
453.33719	100.0
454.34048	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	454.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15807	3.0
53.99396	2.5
59.01378	34.2
61.98824	7.9
68.90583	2.9
70.62230	3.6
70.62556	3.7
71.01372	4.5
73.02929	5.3
92.87064	3.0
93.65971	2.9
94.43618	2.6
101.02425	4.7
103.61337	2.6
106.82777	2.6
108.02175	4.4
121.33984	2.4
125.02470	5.9
136.05269	3.0
147.14305	2.8
149.57968	2.8
161.04599	3.5
164.08372	7.1
166.24973	3.0
186.45367	3.1
192.07896	15.5
202.53900	3.2
207.10251	100.0
251.16611	3.2
280.03815	3.2
315.83609	2.9
334.29202	3.1
454.21170	5.7
455.22397	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08736	9.2
59.01377	100.0
61.98820	37.4
64.09826	9.0
69.45840	20.7
69.46229	20.7
71.01368	21.2
73.02947	17.6
74.33107	8.4
76.66961	9.4
77.88120	8.7
80.71672	8.3
92.15733	8.6
96.76557	8.6
98.22567	18.4
101.02448	17.0
113.02409	12.2
214.78448	8.3
239.44905	8.8
249.14972	11.0
250.14966	8.8
273.26382	9.9
283.06253	10.0
309.04929	10.1
417.11209	10.2
418.11768	18.4
454.21713	12.3
455.22891	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
59.01378	67.9
60.01724	2.7
61.98814	4.8
69.22008	8.5
71.01368	14.6
73.02949	31.9
74.03249	2.0
79.95722	3.4
81.61963	1.8
83.01378	7.3
85.02916	3.4
89.02433	7.5
89.77100	1.7
96.96010	100.0
97.95935	3.4
98.95577	6.6
101.02440	20.7
113.02428	8.5
125.02451	38.9
126.02795	12.3
137.09740	4.4
149.04608	2.4
161.04558	10.3
181.33142	2.2
221.06633	2.7
454.09116	21.4
454.15875	3.0
454.16980	2.7
455.08591	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	454.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43535	8.1
56.55747	7.9
59.01376	100.0
61.98805	14.0
69.57651	31.8
71.01389	7.8
73.02921	11.3
82.73885	9.7
96.96036	9.0
101.02457	10.1
113.02448	13.8
153.34048	8.5
192.02382	7.8
203.75389	7.5
207.13872	19.2
325.93436	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	454.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.16037	4.2
60.50228	5.0
61.98822	8.5
69.27360	23.0
71.01362	11.2
73.02928	6.4
85.02888	5.1
96.95944	7.4
101.02442	9.8
113.02392	6.4
119.03503	5.3
125.02447	20.7
127.78266	4.7
147.61287	4.1
207.13887	12.5
245.88329	4.8
282.38388	4.8
323.03699	8.1
333.20724	4.8
422.15634	4.5
454.15527	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	454.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63921	0.2
59.01376	8.5
61.98821	1.5
63.02140	0.2
63.14681	0.3
65.46297	0.2
69.26836	1.6
71.01377	1.2
71.38412	0.2
73.02928	1.5
79.81253	0.3
79.95728	5.1
83.01369	0.7
85.02939	0.4
89.02430	0.7
95.95216	0.3
96.96004	100.0
97.95922	2.8
97.96435	0.4
98.95589	5.0
98.96339	0.6
101.02442	1.2
104.57433	0.3
110.97601	0.6
113.02446	0.7
119.03474	0.3
121.02972	0.4
125.02422	0.9
128.00893	0.3
137.02414	0.4
137.09691	0.4
141.01794	0.3
147.16821	0.3
161.04524	0.3
269.08081	0.9
270.08524	0.7
279.99884	0.3
283.09738	0.4
284.10236	1.3
285.10953	0.5
301.52460	0.3
329.09891	0.6
341.10257	0.4
344.12170	0.8
454.08890	42.1
455.08743	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	454.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11348	0.4
61.98827	100.0
68.98108	0.4
69.67803	1.1
69.68185	1.1
95.31152	0.5
114.82496	0.6
167.06215	0.5
259.73380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66991	0.5
61.98830	100.0
71.44163	0.7
84.12309	0.6
101.46523	0.7
105.11710	0.7
165.96030	0.7
177.29182	0.6
194.98170	0.7
224.85574	0.7
341.51233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68103	0.2
59.01379	1.6
59.32083	0.2
69.33930	0.5
71.01379	0.5
73.02984	0.2
75.00867	0.2
83.01395	0.1
84.93863	1.3
85.02955	0.1
91.39632	0.1
95.08890	0.1
96.96003	1.8
97.72455	0.2
98.95584	2.3
98.96345	0.3
99.00865	0.4
99.92580	10.4
100.90470	0.6
100.93360	8.8
101.02441	0.2
101.93365	0.2
103.00348	0.4
109.03004	0.3
115.92075	15.0
116.92858	100.0
117.92874	3.3
117.93631	0.2
123.00877	0.2
124.01536	0.2
124.93384	0.2
125.02451	2.8
126.95002	0.2
127.00393	0.4
128.92874	0.2
140.92863	0.7
141.93628	0.9
142.94447	0.8
156.92340	0.7
157.93098	0.2
158.93889	0.6
163.03993	0.2
167.03525	0.6
169.01421	1.2
169.93115	0.2
173.92632	0.3
174.93448	0.2
177.01901	0.6
183.94632	0.3
184.91805	1.5
184.95464	0.2
185.92552	0.2
186.93414	0.4
193.01361	0.4
196.95436	0.3
244.97574	0.2
251.00148	0.2
259.96298	0.2
313.22818	0.2
318.84491	0.2
319.04617	0.2
333.00598	0.7
334.01355	0.3
337.03726	0.2
351.01743	3.1
352.02304	0.5
368.98798	0.2
369.02945	3.2
369.07388	0.1
370.02936	0.2
375.01382	0.2
381.03003	0.4
393.02823	1.7
394.03271	0.2
411.03857	3.3
412.03851	0.3
419.00809	1.3
455.02890	8.5
456.02975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72134	0.2
57.03421	0.2
59.01380	2.6
61.98824	0.6
71.01377	0.8
72.99310	0.3
73.02933	0.4
81.03436	0.2
83.01362	0.3
84.93877	1.5
85.02930	0.3
88.98821	0.2
89.02452	0.5
95.01382	0.3
96.96039	1.1
98.95592	1.2
98.96436	0.4
99.00866	0.5
99.92583	9.2
100.11492	0.2
100.90440	0.4
100.92693	0.3
100.93356	6.4
101.02465	0.5
103.00355	0.2
109.02949	0.7
113.02448	0.4
114.93393	0.2
114.95000	0.2
115.92078	9.6
116.92859	100.0
117.92870	3.2
117.93649	0.3
119.03503	0.2
123.00896	1.3
124.01740	0.2
125.02441	2.0
128.92876	0.2
136.50575	0.2
137.02422	0.3
138.03061	0.2
140.92847	1.4
141.93648	0.6
142.94411	0.9
146.06094	0.3
152.01120	0.2
153.01924	0.8
156.92371	1.3
158.93939	0.7
166.02692	0.3
166.99863	1.0
167.03455	0.2
169.01392	1.1
173.92583	0.6
177.01976	0.7
184.91824	3.9
184.95465	0.3
185.92632	0.5
186.93417	0.6
196.95473	0.6
229.05157	0.2
246.35521	0.2
285.03973	0.3
303.05011	0.4
315.07135	0.2
329.02988	0.3
333.00497	0.3
337.03836	0.3
351.01767	2.0
352.02448	0.5
369.02975	1.2
372.57413	0.2
381.02719	0.8
393.02704	0.9
395.19238	0.3
411.03644	1.4
415.22787	0.2
454.19473	0.4
455.02805	7.2
455.11633	0.4
455.20203	0.3
456.03055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.6
59.01379	12.2
61.98822	1.0
69.25917	2.0
71.01389	2.0
73.02943	1.9
73.56757	0.3
81.03457	1.2
83.01384	4.0
84.95132	0.5
85.02940	1.1
87.00887	0.5
89.01213	0.4
89.02451	0.9
95.01366	0.6
95.05016	1.7
97.02933	0.9
99.00861	0.4
101.02453	2.3
105.03467	4.8
108.02187	0.9
109.02943	1.7
113.02460	1.3
119.05019	2.3
121.02975	0.7
123.00888	1.4
123.04527	2.9
124.01707	0.9
124.44243	0.4
124.86235	0.3
125.02445	100.0
126.02788	2.2
133.02916	0.7
136.31052	0.4
137.02443	5.8
139.04025	0.5
145.02994	0.4
145.06627	0.3
149.02438	1.6
151.04019	0.6
153.01942	1.1
155.03485	0.6
159.04568	0.4
160.01741	0.4
161.02443	42.4
162.02927	1.3
164.65543	0.4
165.01906	3.9
166.02693	0.8
166.99809	0.4
167.03500	4.6
168.00581	0.6
169.01390	3.9
172.05257	0.5
175.04016	1.0
177.01941	1.1
177.05606	2.6
178.24838	0.4
183.03012	0.9
183.04468	0.4
187.03836	0.5
188.04805	0.7
197.06110	0.6
201.05547	1.5
203.03471	0.5
203.07167	0.7
205.05019	0.6
213.05637	0.5
219.06641	1.2
221.08134	1.1
225.05545	0.8
227.03528	0.8
227.07039	0.4
229.01453	0.6
241.05081	0.5
243.06581	0.9
248.06242	0.4
255.03064	0.4
269.04568	3.5
270.05045	0.5
271.05988	0.5
275.60950	0.4
285.07751	1.1
287.05603	9.4
288.06070	0.8
289.07129	3.8
290.07532	1.0
303.08698	2.2
311.76611	0.4
317.06674	0.9
413.21674	0.8
437.08099	0.6
455.09842	1.6
455.23566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25817	0.3
57.03446	12.7
57.57483	0.3
59.01375	1.0
69.30936	0.7
69.31323	0.8
81.03461	1.5
82.68369	0.3
83.01389	3.4
93.03439	0.4
95.05021	1.3
98.22672	0.6
105.03455	4.3
109.02979	0.5
123.04546	2.9
125.02445	100.0
126.02778	1.9
131.05011	0.3
132.02226	0.4
133.02953	1.4
137.02431	6.3
147.04529	0.5
149.02399	1.3
159.04526	0.4
161.02441	45.7
162.02870	1.2
165.01904	2.4
166.02745	0.6
167.03493	5.9
169.01472	1.7
175.03975	0.8
177.05537	3.2
191.03494	1.1
197.06091	0.4
199.03912	0.4
201.01938	0.5
201.05576	1.6
203.03496	0.6
203.07144	0.9
205.05020	0.9
213.05533	0.4
219.06607	0.8
223.03909	0.4
225.05569	0.9
227.03571	1.0
229.01396	0.8
243.06555	0.9
269.04529	5.7
287.05609	11.6
288.05981	0.6
289.07092	1.2
301.03467	0.6
317.06659	1.0
408.20776	0.4
429.12518	0.4
450.65671	0.4
455.09723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41827	0.4
57.03444	13.0
59.01373	0.9
69.29458	0.8
69.29842	0.8
72.94857	0.3
81.03444	1.4
83.01376	4.3
95.05035	2.5
96.96003	0.7
98.21791	0.3
105.03460	4.6
108.02170	2.4
109.02942	1.7
111.04523	0.4
114.17810	0.4
119.31102	0.3
121.02955	0.6
123.04506	1.3
124.01649	0.6
125.02441	100.0
126.02745	1.9
133.02972	1.1
137.02438	6.7
139.04004	1.1
145.68646	0.3
149.02438	1.0
151.04056	0.5
152.01144	2.7
161.02438	40.8
162.02907	1.4
165.01929	2.2
166.02679	0.5
167.03493	6.9
175.03951	0.6
177.05542	3.9
179.03477	1.1
183.04465	0.5
185.02278	0.4
194.04814	0.4
197.06122	0.8
201.05510	1.9
203.03587	0.5
217.04991	0.4
219.06664	1.8
221.04625	0.4
225.05531	0.7
227.03546	0.7
229.01454	0.6
243.06631	0.9
269.04486	2.8
287.05606	6.1
289.07248	0.7
305.06662	6.6
317.06540	0.7
387.60757	0.4
455.15564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.5
59.01379	13.7
61.98819	2.5
64.54768	0.6
64.85625	0.6
68.39848	0.6
69.03445	0.9
69.15361	0.6
71.01372	3.0
73.02947	2.3
81.03458	4.0
83.01372	4.8
84.95095	1.3
85.02946	1.5
89.02435	0.9
91.49139	0.7
91.69999	0.5
93.03474	1.5
95.01389	0.8
95.05020	3.0
97.02946	6.1
98.22646	1.6
101.02439	2.8
107.01393	3.9
108.02144	1.0
109.02953	21.9
111.00861	2.1
113.02448	1.4
117.03466	0.8
121.02972	4.2
122.03712	0.7
123.00854	2.2
123.04523	14.7
124.01661	31.9
125.02444	59.7
135.04532	2.6
137.02440	27.3
137.03497	1.4
138.03206	0.8
139.00395	2.0
139.04010	15.9
140.01120	0.9
145.02963	10.5
146.03725	1.9
149.02438	6.5
150.03210	2.1
151.04001	9.7
152.01172	1.3
159.04491	4.4
160.05226	0.9
161.02417	1.9
161.04730	1.0
161.06075	8.6
162.03191	1.3
163.03961	1.5
164.01161	3.7
165.01929	10.9
167.03520	3.5
168.00636	39.4
169.01259	1.3
173.06116	1.1
174.03326	0.7
175.03998	2.9
175.07587	2.1
177.01930	1.3
179.03503	5.8
183.02980	97.2
184.03311	2.6
184.05046	1.1
185.06007	3.3
187.03984	6.8
188.04860	3.6
192.00589	1.5
193.01442	0.7
199.07634	0.9
201.05611	2.0
201.97255	0.6
202.06331	2.5
203.03503	1.2
203.07129	14.5
204.07359	0.7
205.05025	7.9
207.02917	2.3
212.04736	1.0
217.05051	1.2
221.08162	2.7
227.07112	2.9
229.04964	1.2
231.02908	1.0
243.03006	1.0
245.08167	17.2
246.05238	1.0
247.06026	0.9
251.13008	1.0
253.05034	4.2
258.05322	1.0
263.14905	2.6
271.06097	17.0
273.03961	1.2
273.07477	0.9
289.07169	100.0
290.04486	1.0
290.07419	4.9
305.06674	5.8
317.06598	0.9
393.09778	0.9
395.19348	4.2
411.11108	0.9
455.09714	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	455.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01377	100.0
61.98830	4.0
69.32844	5.6
71.01381	20.3
73.02947	8.5
73.67264	1.6
74.09653	1.5
77.42071	1.4
81.55828	1.6
82.95402	3.9
83.01399	3.9
85.02931	8.7
87.00880	3.2
89.02433	8.5
95.01360	1.9
96.90095	1.4
98.21880	2.9
101.02451	11.6
109.02934	6.5
113.02431	9.3
119.03510	2.1
123.00765	1.9
123.04469	1.8
124.86806	1.8
125.02457	13.5
135.04485	2.8
136.05263	2.2
137.02443	3.2
141.01685	6.7
161.02446	2.2
161.04532	5.1
166.99908	1.8
169.01404	3.3
174.06810	6.1
177.01942	1.6
189.09248	8.4
192.00685	3.7
192.07953	3.2
199.04092	2.3
207.02946	2.3
207.10258	64.0
208.10696	3.5
215.14482	2.1
251.12901	3.2
286.18637	1.6
297.79053	1.5
303.05264	2.3
331.17630	3.9
351.14450	23.5
352.14514	1.9
369.15536	35.6
370.16040	2.3
411.16727	8.8
411.21326	1.5
413.22177	2.4
419.22769	3.7
445.83542	1.7
455.22601	13.6
480.54468	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	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52787	1.1
55.01885	3.1
56.73876	1.5
57.03451	19.3
59.01379	50.3
62.49569	1.2
69.03468	1.4
69.52454	4.3
71.01381	29.3
72.99323	1.4
73.02950	18.9
81.03461	2.9
82.95403	3.0
83.01380	13.3
85.02945	16.3
87.00902	2.0
89.02435	7.9
93.03442	2.0
95.01399	2.8
97.02953	2.6
97.53062	1.2
98.22691	1.4
99.00343	1.3
99.00877	7.6
99.08263	1.2
101.02444	35.9
109.02956	8.5
111.00872	3.3
113.02444	13.8
121.02947	1.4
123.00932	2.6
123.04504	2.7
124.01655	17.4
125.02449	100.0
126.02781	2.0
131.03470	1.3
135.04480	1.5
137.02448	32.1
139.00407	2.5
139.04024	4.6
140.01160	3.4
143.03484	2.1
145.02948	21.8
146.03738	2.2
149.02444	7.0
150.03203	4.6
152.01187	2.9
153.01897	1.3
159.03163	2.2
159.04532	7.8
161.02451	4.7
161.04570	12.1
161.06075	5.5
164.01163	1.7
165.01947	3.0
167.03462	4.1
168.00638	25.3
169.01379	1.7
175.03931	1.3
177.01955	2.6
183.03000	34.2
183.04556	3.3
184.05263	1.5
185.06075	3.6
187.04034	4.1
191.03462	2.1
192.00687	4.5
201.05545	1.8
203.03523	3.0
203.07161	5.0
204.04207	2.6
206.02213	1.6
207.02890	2.9
209.06096	2.8
211.04184	1.6
219.03082	1.6
225.05452	1.4
227.07159	2.0
228.04285	1.2
229.04991	2.5
245.04550	2.4
253.05075	10.3
263.14993	50.7
264.15344	2.8
271.06110	41.7
272.06384	1.5
287.05420	1.7
289.07089	4.7
290.04282	2.0
305.06680	18.5
317.06686	3.4
353.06735	1.8
393.09824	2.3
395.19205	96.0
396.19669	6.2
411.11111	2.0
413.21771	1.6
455.10056	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	455.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
56.41286	1.0
57.03442	2.8
59.01375	56.2
60.85240	0.9
69.00941	3.0
71.01383	22.5
73.02946	14.5
83.01391	8.1
85.02956	15.1
87.00883	1.9
89.02438	3.2
95.01384	2.6
97.02930	1.7
99.00874	4.2
101.02439	36.1
103.04031	1.6
109.02924	1.5
113.02433	12.2
119.05039	5.8
125.02478	7.6
127.00368	2.9
143.03529	1.2
145.04985	1.1
153.55692	0.9
155.88913	0.9
156.97618	1.0
159.03040	2.0
161.04559	10.5
163.04030	7.2
169.01411	3.2
207.06665	1.5
211.80923	1.2
249.13411	57.7
250.13823	1.6
257.13632	1.1
274.44827	1.0
291.50159	0.9
321.79074	1.0
385.02298	1.0
395.19193	100.0
396.19501	5.9
446.73935	1.1
452.86508	1.0
455.15338	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	455.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
57.03418	2.0
59.01379	54.2
60.95230	0.7
61.98815	0.7
68.99811	1.0
69.03440	2.3
70.67910	1.1
71.01018	1.2
71.01380	18.1
71.05004	0.6
72.99284	0.7
73.02569	0.7
73.02942	6.9
75.89013	0.5
79.12257	0.5
83.01385	5.6
85.02948	11.6
86.00090	4.6
87.00849	2.7
89.02412	2.1
92.04163	0.5
95.01375	2.8
97.02940	2.9
99.00854	2.6
101.02453	12.5
111.00895	4.5
111.08120	0.5
112.01651	1.4
113.02470	6.5
115.03996	0.7
123.00874	0.9
124.01659	5.6
125.02462	5.2
136.05301	4.3
137.02467	0.7
138.82211	0.6
141.01868	0.7
143.03464	2.5
149.06100	1.1
151.07658	0.8
161.04648	0.6
166.99910	1.1
193.08629	1.6
219.13986	1.1
233.15457	1.4
236.14093	2.3
237.14842	0.7
251.16507	100.0
252.16838	4.9
263.16473	3.2
265.18051	0.7
293.17587	21.6
294.17902	0.9
321.17056	5.6
322.33820	0.6
344.96555	0.6
361.58383	0.6
365.19672	0.6
387.14301	1.5
395.20712	82.9
396.21024	6.0
413.21793	94.0
414.22086	6.6
455.22867	23.1
456.23270	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	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03432	0.9
59.01377	73.5
60.01725	0.6
61.98833	0.8
69.03462	1.8
69.10036	3.3
71.01381	17.7
72.99310	0.7
73.02941	22.9
83.01387	5.2
85.02944	6.6
86.03232	0.5
86.42492	0.4
87.00882	2.1
89.02434	5.6
95.01389	1.1
97.02977	1.5
99.00879	1.6
101.02446	16.7
101.03094	1.1
113.02443	7.4
113.06039	0.6
119.03509	2.3
122.03725	0.5
123.08235	0.5
125.02445	1.6
129.69879	0.5
130.59436	0.5
131.03476	1.2
135.11845	0.6
135.51154	0.5
135.74844	0.5
137.02487	0.5
143.03429	1.6
147.39395	0.5
149.04820	0.9
149.06071	8.1
161.04579	4.6
177.09190	0.8
177.12857	2.1
179.14355	0.7
187.14883	1.8
203.05644	3.9
205.15970	7.1
215.14409	0.8
221.15443	1.4
223.13354	0.7
233.15425	7.0
235.17081	1.1
249.14926	7.2
251.16508	100.0
252.16843	4.8
256.38052	0.5
326.01453	0.6
395.20746	7.8
406.04089	0.7
413.21768	14.9
414.22101	0.7
455.22833	53.1
456.23062	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	455.2437
Annotation	3-Deoxymethylnimbidate
Peak:m/z	Relative Intensity
59.01352	1.4
61.98813	1.2
69.62351	3.9
78.95892	2.1
95.01383	1.2
105.01901	1.2
109.02927	2.6
110.03703	2.4
122.03734	1.3
123.00867	5.5
123.04515	8.2
124.01623	3.6
125.02431	3.4
136.01648	1.3
136.05280	1.7
137.02443	41.3
138.03247	6.4
142.45586	0.9
150.03157	1.2
151.00327	1.3
151.02861	1.2
151.04004	18.9
152.99556	1.0
153.01918	1.2
165.01955	1.4
165.05589	1.9
177.01781	1.0
179.03510	14.8
207.10219	3.9
217.08691	1.5
235.09637	1.3
261.14969	2.1
275.16489	4.5
303.16006	1.9
309.20761	1.3
335.18433	1.2
365.21133	1.1
383.22189	2.6
397.42218	1.0
405.20721	1.4
423.21588	8.7
427.24841	4.0
437.17856	3.3
440.21133	1.7
440.26129	1.6
455.24207	100.0
456.24536	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	455.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15163	0.5
62.60891	0.6
62.61246	0.5
62.77159	0.5
65.48280	0.5
65.71107	0.5
66.47890	0.5
67.05506	0.8
68.56966	0.6
69.64151	1.5
80.00334	0.6
80.02672	1.8
84.83725	0.6
84.99299	0.7
90.30492	0.5
95.05028	63.0
96.05354	1.0
97.06591	2.4
98.22547	1.1
107.04896	0.4
107.41628	0.5
108.02150	0.7
112.98850	2.7
123.08146	1.6
139.00394	1.5
139.07652	40.6
141.09195	3.5
149.06088	0.6
151.07626	2.8
152.99542	0.6
167.07155	2.1
169.08705	2.4
195.17577	1.2
197.19183	0.8
199.17137	1.3
211.06114	100.0
212.06413	3.0
215.16090	0.6
225.18593	2.8
247.78325	0.6
253.18069	2.4
279.16034	0.9
279.23254	2.1
279.26669	0.7
281.17612	5.5
282.40982	0.6
289.25214	0.9
305.24884	1.4
307.26483	2.5
317.25275	0.6
333.24362	1.7
335.22220	2.1
351.25388	2.2
379.24841	5.1
437.18027	1.0
455.26523	10.4
484.01083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96242	2.8
68.99804	2.1
71.17257	1.2
81.03466	2.8
82.47938	1.3
91.05518	4.6
95.01392	6.9
95.05032	4.0
98.21790	2.8
107.05014	4.6
109.02951	3.1
117.90012	1.0
119.04985	8.4
121.06599	3.3
122.03740	3.4
133.06593	100.0
134.06989	1.4
135.04526	32.2
137.06100	9.7
143.08952	1.6
147.04498	6.0
148.05257	1.1
150.06839	5.1
164.03026	1.6
175.07883	1.7
179.01761	2.9
180.02536	9.8
181.03200	2.0
182.05862	2.5
201.24817	1.1
212.01483	3.1
219.43614	1.4
232.34424	1.4
236.71118	1.2
261.18790	1.4
293.15729	4.9
293.21130	2.1
294.16565	37.6
295.17038	1.4
326.15527	46.6
327.15921	2.1
455.26706	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	455.28
Annotation	14-Methoxyamentol chromane
Peak:m/z	Relative Intensity
61.98825	8.1
74.29940	0.4
74.60518	0.4
80.91683	6.6
81.03409	0.4
95.01365	1.2
96.02179	0.8
97.02924	0.7
108.02168	13.6
109.02930	1.4
109.87317	0.4
121.02963	3.8
122.03742	4.0
123.00874	3.7
124.01662	30.0
124.64678	0.5
127.86978	0.6
133.06575	0.6
134.03716	2.0
135.04512	7.0
136.01643	1.3
136.05316	6.1
137.02419	2.1
138.03220	2.3
145.02855	0.5
149.02440	1.5
149.06067	4.4
150.03221	3.9
151.03947	0.7
159.04512	1.0
160.05310	0.8
160.84207	1.1
162.83917	1.9
163.03992	2.4
163.07634	1.4
164.04773	2.1
173.06187	0.5
177.05588	3.0
177.09265	0.8
187.07715	0.7
191.07039	0.6
191.10765	0.7
219.13939	0.9
233.15269	0.6
275.20239	2.7
303.19608	1.1
367.30099	0.7
369.27924	1.1
383.29419	2.0
385.27444	4.6
395.25986	0.7
399.29095	0.8
409.27542	0.5
411.28922	3.9
413.26825	1.1
417.26340	0.7
419.04428	0.8
420.03769	1.3
422.24808	3.0
423.25110	2.3
427.28482	7.0
437.26892	6.9
440.25607	5.4
441.25858	0.6
455.27927	100.0
456.28314	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	455.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24462	0.5
59.01351	0.7
59.29932	0.4
61.92701	0.4
71.46543	0.5
74.57575	0.5
78.95926	2.3
81.03440	0.8
82.94426	0.5
83.51189	0.4
108.02173	1.1
109.02917	1.3
122.03731	3.7
123.00901	1.1
123.04520	20.9
124.01647	2.0
124.04852	0.7
125.02409	1.1
135.04520	5.8
135.51930	0.5
137.02463	4.0
137.06134	2.9
138.03200	3.3
147.04517	0.9
150.03185	0.7
151.04001	23.6
152.04791	5.5
152.99585	3.2
157.03833	0.4
164.04784	0.7
165.05559	24.4
165.09074	0.7
166.02692	1.2
173.14893	0.5
179.07077	0.9
193.08713	0.8
207.10257	1.1
221.11719	0.8
249.14929	1.2
250.15616	0.8
261.89804	0.5
275.20126	0.8
289.21863	0.6
293.17664	1.1
303.19733	1.4
304.20377	5.4
305.17422	0.6
305.20782	0.5
317.21198	4.4
335.18625	0.6
383.26138	0.6
411.25269	0.6
423.25375	5.5
427.24789	0.6
437.18274	3.5
440.25647	71.2
441.25961	5.5
455.28055	100.0
456.28363	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	455.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20462	0.4
55.01862	0.8
69.58208	1.6
90.69821	0.4
95.01366	1.0
98.22647	0.8
108.02180	5.4
108.18152	0.3
109.02943	1.3
117.10521	0.4
119.05037	0.4
121.02955	0.5
122.03732	5.0
123.00861	1.8
123.04554	0.6
124.01640	1.0
125.87292	1.0
127.87042	0.8
135.04518	3.8
136.05299	1.4
148.05330	0.9
149.06055	0.9
150.03317	0.9
160.12590	0.4
160.84219	1.4
162.03235	0.4
162.06877	1.6
162.83902	2.4
163.04002	4.9
164.83580	3.9
165.12822	0.5
177.05519	2.1
177.09200	0.9
177.16449	1.1
191.07120	1.5
199.07578	0.4
205.08682	0.3
205.12306	8.9
206.12787	0.4
208.75908	0.4
219.10207	1.3
219.13892	0.6
221.15446	18.3
222.15840	0.9
233.11809	36.4
234.12309	2.6
235.13364	0.8
246.25046	0.4
247.13350	0.9
247.16905	0.5
248.88158	0.7
250.87868	0.5
255.23280	0.5
259.17023	0.8
261.18527	0.4
271.06168	2.2
281.15720	0.4
289.18018	0.5
313.14392	0.6
341.14026	0.6
356.16284	6.1
357.16830	0.6
369.27988	0.5
371.26196	0.4
383.29504	0.4
411.29105	0.6
413.26865	1.9
418.04340	0.9
419.04401	1.6
420.03986	2.3
425.23630	0.5
427.28452	1.6
455.28012	100.0
456.28357	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	4.1
69.68620	7.5
74.61143	2.1
81.83052	2.1
98.21858	3.7
107.26571	2.0
109.02956	15.9
123.00874	19.8
124.01714	2.9
125.02469	3.1
125.87318	6.7
127.87030	7.2
137.02437	20.5
138.03236	6.7
149.86661	2.0
151.04012	22.8
160.84241	9.2
161.79987	1.9
162.83904	21.7
169.01338	2.9
179.07230	3.5
220.85277	2.1
248.88223	3.9
250.87932	5.1
418.04224	6.6
419.04114	12.7
420.03983	14.9
423.26047	3.0
425.23163	5.4
440.25708	66.8
441.26266	6.1
454.82715	2.3
455.03387	2.9
455.28186	100.0
456.28601	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	455.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
56.03389	0.5
60.90059	0.5
69.40953	1.1
69.41353	1.6
70.94400	0.5
78.64675	0.5
79.52590	0.4
81.11288	0.5
91.63953	0.5
107.84841	0.6
110.03730	1.0
111.04494	0.7
122.03735	17.1
123.00874	0.8
124.01657	0.8
135.04495	1.5
136.05299	4.6
137.02443	1.2
138.03223	37.7
139.03864	0.6
144.05847	0.9
148.05269	2.7
149.06035	1.7
150.03267	0.8
150.06793	0.6
151.03835	0.6
158.68855	0.7
163.03992	0.9
164.04794	5.0
174.06886	0.5
178.06361	1.8
268.34695	0.6
355.26367	1.0
371.25687	2.9
383.29486	2.2
393.27979	0.8
409.27380	1.0
411.28833	1.5
427.28513	9.4
428.29144	0.6
437.26910	9.4
438.27197	0.7
444.23334	0.6
444.48294	0.6
455.27979	100.0
456.28339	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	455.3163
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
54.75866	0.2
55.01875	2.4
69.50230	0.9
71.05022	0.2
77.65116	0.2
81.03471	1.4
83.62945	0.2
91.58767	0.2
95.05003	0.9
97.64246	0.2
117.12200	0.2
122.03740	1.9
123.04500	0.4
135.04472	1.3
136.05290	1.3
137.06053	0.3
149.06094	1.6
162.83931	0.4
176.86432	0.3
205.12430	0.3
219.13924	0.3
233.15509	0.5
247.16957	0.4
287.00494	0.2
289.27097	0.3
329.24951	0.3
343.26392	0.9
355.30209	0.3
369.05713	0.3
369.31583	0.7
371.29749	1.5
381.27789	0.6
385.31064	4.5
395.29468	1.2
399.28915	1.2
409.31140	0.7
411.32666	13.8
412.33041	1.1
413.30637	3.6
414.31204	0.5
437.30963	0.3
441.66922	0.3
455.31631	100.0
456.31958	8.3
458.59344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3162
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
50.05173	0.2
55.01877	1.6
63.16385	0.2
67.44434	0.3
69.47097	1.1
95.05013	1.0
103.36658	0.3
105.07097	1.0
123.00862	0.3
123.04522	0.5
125.87357	0.3
127.14208	0.3
129.36365	0.2
135.04564	0.3
136.04305	0.6
136.05295	7.3
137.06068	0.7
144.60445	0.3
149.06068	13.5
150.06606	0.3
162.83929	0.4
163.07660	2.2
172.65674	0.3
177.09207	1.2
190.97839	0.3
191.10735	1.8
205.12268	0.8
219.13885	1.1
233.15506	0.8
247.13371	0.7
247.17065	0.9
261.18625	0.6
275.20166	0.5
284.63037	0.3
289.21490	0.4
303.23230	1.4
329.24820	0.3
371.29520	1.1
381.28043	0.3
395.29510	0.5
399.29034	0.7
409.30991	0.3
411.32639	6.6
412.32886	0.7
423.80753	0.3
440.29358	0.7
455.31644	100.0
456.31979	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	455.3167
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
53.46412	0.2
55.01628	0.4
55.01879	4.6
61.98816	0.4
67.78757	0.2
69.40130	0.8
71.05034	0.2
78.95890	0.9
85.00419	0.8
85.45052	0.2
95.05029	2.1
95.12308	0.2
98.21832	0.3
105.01988	0.3
112.25843	0.2
120.89682	1.3
121.89701	0.9
122.03712	0.5
123.00869	0.4
124.01692	0.3
124.87994	0.2
125.02424	0.4
135.04532	0.4
136.05309	2.8
137.06079	0.6
149.06070	2.9
150.06868	0.2
151.03970	0.3
152.99600	0.9
163.07631	0.5
168.20567	0.2
191.10789	0.2
205.12338	0.6
219.13890	0.4
233.15408	0.2
247.17047	0.7
261.18655	0.3
275.20062	0.5
317.24683	0.3
329.24689	0.7
355.29871	0.6
371.29541	3.5
381.28018	1.0
383.21869	0.3
399.28970	2.0
409.31027	1.2
411.32666	12.9
412.33044	0.8
413.30637	0.8
437.18048	1.3
437.30783	0.4
455.31638	100.0
456.32010	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	455.3529
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
64.08256	0.3
68.32523	0.3
69.29527	0.3
71.43874	0.3
77.11269	0.3
97.06577	0.6
108.02180	0.4
112.89394	0.4
123.00887	0.3
124.01670	0.3
162.83939	0.6
164.83623	5.3
165.83635	0.8
166.83316	1.0
197.18994	0.5
225.18604	0.6
247.31267	0.3
253.18300	0.3
307.26620	0.4
351.25330	0.6
437.25894	0.3
455.35287	100.0
456.35675	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	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01373	3.4
61.98827	100.0
68.20650	0.3
69.14774	2.0
71.01406	0.7
73.02951	0.3
82.86243	0.3
83.01384	0.4
85.02930	0.4
89.02455	0.4
91.36613	0.3
94.75095	0.3
95.01379	0.4
98.22686	0.5
101.02454	0.5
103.63713	0.3
109.02980	0.7
113.02448	0.4
116.92870	0.6
117.92848	0.4
123.00965	0.6
125.02444	7.6
126.02789	0.6
129.17607	0.3
135.10873	0.3
137.02429	0.6
138.03217	0.3
151.04066	0.5
161.02505	0.7
163.00438	0.3
165.02046	0.5
167.03508	1.5
169.01418	5.9
177.01935	1.4
177.85214	0.4
200.76675	0.3
305.06625	0.5
319.04602	0.7
396.18665	0.5
423.07068	0.4
424.07916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48102	1.8
59.01378	100.0
60.01728	2.0
61.98830	12.1
69.30598	8.9
71.01381	10.2
76.61638	1.7
77.41938	1.8
82.54769	1.6
85.02937	3.0
88.63650	1.5
89.02445	5.3
93.42577	1.8
97.96192	1.8
98.22602	3.6
101.02456	7.0
113.02465	4.6
119.03513	2.3
125.02470	6.2
137.02437	3.7
161.04562	6.6
165.09148	1.9
169.01456	4.6
187.94479	2.1
191.10785	2.0
193.08704	22.7
194.09465	9.5
208.10968	9.8
209.11809	38.7
247.15993	1.8
251.12996	2.3
396.20923	2.9
397.17810	2.2
397.22177	11.2
412.17792	1.9
413.17642	2.5
416.65811	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	456.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	99.7
60.01699	3.2
61.98828	100.0
71.01391	8.4
73.02942	2.2
83.01390	1.5
85.02969	2.3
89.02444	6.4
101.02440	5.8
113.02444	7.1
113.03152	1.9
119.03472	2.1
122.03735	14.8
125.02437	16.4
125.71506	1.7
126.02823	1.8
137.06070	21.3
139.04071	1.4
148.55617	1.6
161.02457	2.2
161.04527	3.9
169.01422	6.2
175.04013	1.7
179.05565	1.6
209.11813	23.3
295.06256	3.4
295.15704	1.5
298.06903	1.7
306.46811	1.8
397.22122	4.9
412.15714	3.5
413.21524	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	456.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10313	1.1
55.01870	1.2
59.01379	100.0
60.01717	4.0
61.98821	10.3
69.49364	2.6
71.01388	16.3
73.02950	5.4
76.18863	1.2
79.13023	1.1
83.01385	2.0
85.02943	6.8
89.02451	8.0
95.01390	1.1
101.02455	11.7
113.02450	8.1
119.03495	4.8
125.02438	14.1
126.02736	1.3
137.02454	1.9
149.04614	1.0
149.06004	1.7
161.04572	8.0
165.36966	1.3
167.03543	1.3
169.01434	11.3
175.55511	1.1
177.02017	1.8
179.05724	2.2
191.18646	1.1
205.15997	1.7
213.24461	1.1
220.40025	1.0
233.15515	1.4
244.68378	1.3
249.14920	1.4
251.16537	22.6
252.16882	1.5
291.28537	1.0
396.21155	1.5
397.22192	3.8
413.21793	37.3
414.21878	2.7
456.23047	1.7
457.18573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.08614	0.6
69.09026	1.2
76.46328	0.3
89.18343	0.3
107.71545	0.3
125.02459	0.8
125.87367	0.3
130.29677	0.3
143.71980	0.3
160.84247	1.8
169.01503	0.5
198.95888	0.3
199.98877	0.3
215.96092	0.4
336.19299	0.5
357.33136	0.3
399.29282	0.3
420.09155	0.4
432.16876	0.3
438.18640	0.4
456.24280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
59.01377	100.0
60.01703	1.8
61.98827	6.2
67.74093	0.8
69.35867	0.9
71.01376	10.2
73.02934	5.9
79.53402	0.8
83.01376	1.6
85.02959	4.0
87.00847	0.9
89.02436	3.8
95.01392	1.0
98.95602	1.1
101.02449	8.7
102.02815	1.1
113.02446	6.0
119.03538	1.3
125.02443	8.8
126.02778	1.1
135.59975	0.8
139.00276	1.1
150.05629	1.3
151.00397	1.3
153.01884	2.4
154.02431	1.1
161.04558	3.7
164.07140	1.3
169.01381	4.9
176.93451	0.9
179.05521	1.1
253.18059	1.4
295.15424	1.6
316.31464	0.9
371.20917	1.8
396.21112	1.1
397.22156	4.0
415.23337	4.3
457.20685	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	456.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
59.01377	100.0
60.01703	1.8
61.98827	6.2
67.74093	0.8
69.35867	0.9
71.01376	10.2
73.02934	5.9
79.53402	0.8
83.01376	1.6
85.02959	4.0
87.00847	0.9
89.02436	3.8
95.01392	1.0
98.95602	1.1
101.02449	8.7
102.02815	1.1
113.02446	6.0
119.03538	1.3
125.02443	8.8
126.02778	1.1
135.59975	0.8
139.00276	1.1
150.05629	1.3
151.00397	1.3
153.01884	2.4
154.02431	1.1
161.04558	3.7
164.07140	1.3
169.01381	4.9
176.93451	0.9
179.05521	1.1
253.18059	1.4
295.15424	1.6
316.31464	0.9
371.20917	1.8
396.21112	1.1
397.22156	4.0
415.23337	4.3
457.20685	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	456.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02103	1.9
61.98827	100.0
63.17146	1.9
69.00064	1.7
70.84248	4.0
87.40929	2.0
107.60243	2.2
158.89970	2.0
199.65767	2.2
217.97125	2.0
288.30530	2.1
430.01685	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	456.9949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70905	0.7
53.26965	0.8
55.00354	0.7
56.52842	0.6
59.01375	65.5
64.98430	0.7
69.03281	0.7
69.07859	5.8
123.05119	0.7
132.98186	1.6
146.56543	0.7
156.90565	0.7
156.99899	2.4
174.99240	31.8
201.02492	3.2
203.69125	0.7
217.00278	100.0
218.00609	1.9
314.98660	1.7
359.01443	4.3
374.99176	52.1
375.99518	1.5
419.06488	1.0
468.99185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
66.70964	0.2
69.03456	1.2
69.10838	0.2
69.21877	1.4
79.01897	0.7
81.03455	1.4
83.01392	0.7
93.03419	0.3
95.05000	0.4
97.02949	1.9
105.03463	0.5
107.01372	1.0
109.02959	0.6
111.04507	0.5
123.00893	1.1
124.01660	1.1
125.02445	65.7
126.02789	1.5
137.02422	2.0
139.03978	1.2
149.02483	0.4
149.06114	0.3
151.04013	0.3
161.02449	5.0
161.03748	0.2
164.01151	0.5
164.08420	0.5
165.01920	1.7
166.99858	0.4
167.03491	1.5
169.01422	100.0
170.01746	2.3
177.05576	0.8
179.03514	0.8
193.01401	2.3
201.05551	0.4
219.06628	0.9
221.04539	0.7
269.04520	0.8
287.05591	0.9
305.06683	5.9
319.04507	0.5
324.02322	0.3
331.04544	1.9
457.07767	1.1
457.13370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0773
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
57.03453	2.5
69.03448	2.1
69.59944	0.5
69.85712	1.6
76.98252	0.4
79.01899	0.7
81.03439	2.0
81.41557	0.4
83.01392	0.8
95.05031	0.4
97.02947	1.7
105.03470	0.7
107.01373	1.1
109.02924	0.9
111.04530	0.7
120.67815	0.4
123.00878	0.9
124.01674	1.1
125.02448	83.1
126.02781	2.6
127.53216	0.4
137.02429	2.3
139.04004	1.5
140.48056	0.4
149.02388	0.6
161.02441	6.5
164.00998	0.4
165.01933	1.5
167.03484	2.0
169.01425	100.0
170.01732	2.0
177.05597	1.1
179.03455	1.2
193.01430	3.1
197.06206	0.4
219.06645	0.9
243.06752	0.5
261.47696	0.5
264.12711	0.4
269.04565	0.6
287.05444	0.6
305.06628	4.2
306.07095	0.5
331.04556	0.9
457.07544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0776
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
57.02002	0.2
57.03447	2.1
63.03422	0.2
68.95620	0.2
69.03454	1.3
70.51289	0.4
73.79187	0.2
79.01911	0.6
81.03461	1.8
83.01402	0.9
89.57811	0.2
90.76725	0.2
93.03473	0.4
95.01391	0.3
97.02966	1.4
105.03476	1.0
107.01387	1.1
109.02942	0.7
111.04537	0.5
123.00890	0.8
124.01679	1.1
125.02446	67.0
126.02785	1.5
133.02979	0.3
137.02441	2.0
139.03992	1.2
149.02461	0.4
151.03984	0.4
161.02440	4.9
164.01114	0.6
165.01894	1.6
166.99893	0.4
167.03468	1.7
169.01422	100.0
170.01764	2.8
175.03990	0.5
177.01985	0.4
177.05554	0.7
179.03529	0.7
193.01442	2.3
201.05505	0.2
203.03481	0.3
204.04337	0.3
205.01508	0.3
219.06638	0.9
221.04572	0.6
269.04507	0.7
287.05499	1.2
305.06677	6.4
319.04724	0.4
331.04605	1.7
368.82312	0.2
457.07605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29276	0.7
55.01869	1.3
57.03437	1.3
59.01377	100.0
61.98834	2.2
69.56322	2.0
69.56728	1.4
71.01378	15.5
73.02949	4.6
79.20744	0.8
83.01410	2.1
85.02946	5.9
87.00854	1.2
88.04990	0.6
89.02449	7.3
90.61281	0.9
90.77122	0.8
95.01421	1.0
98.22599	1.6
99.00880	1.3
101.02441	13.2
101.03077	0.7
108.02195	1.9
109.02951	1.1
113.02441	5.4
119.03528	2.1
123.04541	1.5
125.02446	4.5
137.02457	3.3
143.03563	1.6
148.08946	1.7
159.03032	0.9
161.04573	7.3
169.01431	5.0
176.08351	6.7
179.05634	1.7
191.10762	13.5
192.11189	1.2
193.08696	1.5
193.12401	2.6
194.09431	1.6
209.11797	32.3
210.12291	1.1
218.09517	1.8
224.81017	0.8
233.11827	1.3
251.12891	1.5
292.53906	0.7
295.06177	1.0
335.15012	1.0
353.16049	24.1
354.16449	1.8
371.17038	34.2
372.17505	2.7
397.22278	5.9
401.50089	0.8
413.18167	17.5
413.23456	1.1
414.18576	2.4
415.23608	1.5
439.06900	1.2
457.24820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01379	100.0
59.65729	0.4
60.01703	0.8
61.98812	1.1
69.03482	0.5
69.05176	0.4
69.69034	0.6
69.69353	0.9
71.01385	11.0
73.02943	6.1
74.99103	1.1
83.01393	1.8
85.02942	4.0
87.00909	1.0
88.98812	1.5
89.02435	4.6
95.01411	0.8
96.96011	2.4
98.95615	1.8
99.00900	1.3
99.08164	7.8
101.02441	7.8
109.02970	1.3
110.02518	0.6
113.02441	6.2
115.05186	0.6
119.03576	1.2
121.52882	0.4
123.04530	15.1
125.02443	4.9
127.07647	8.4
129.05586	3.4
130.08731	1.3
136.99132	1.3
137.99631	0.6
138.03218	0.5
143.03490	1.2
153.01947	2.1
153.05576	7.5
153.06717	0.7
157.13463	0.8
158.03743	1.1
159.03011	1.0
159.04555	0.9
161.02533	0.7
161.04536	9.8
169.01428	5.9
171.06644	2.2
179.05682	1.1
187.85924	0.5
192.00679	0.8
193.01140	1.1
207.02992	0.7
208.03296	0.7
235.02147	1.0
235.17175	0.6
249.04108	0.6
270.22031	0.6
285.09790	3.2
297.06342	0.9
305.06595	0.6
309.06265	1.3
310.06668	1.3
397.22348	6.7
413.24149	2.9
413.82718	0.5
415.23474	2.6
420.09268	0.9
421.09708	1.8
457.10806	2.3
457.21194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.5
57.03442	0.8
59.01378	100.0
60.01706	0.8
61.53576	0.5
61.59193	0.5
61.98828	2.3
71.01381	9.1
73.02942	5.0
81.03463	0.5
82.95432	0.8
83.01397	2.0
84.95123	4.7
85.02956	4.2
87.39928	0.6
89.02441	5.2
95.01412	0.8
97.02993	0.5
99.00896	0.9
101.02449	8.5
103.44363	0.5
106.99862	0.4
113.02461	5.1
119.03522	1.9
123.04545	0.8
125.02460	4.2
129.83664	0.5
143.03540	1.1
149.04605	0.6
159.03075	0.7
160.40207	0.5
161.04559	2.8
169.01440	4.9
179.05647	1.5
209.11848	8.3
253.18166	1.5
305.07092	0.5
339.35620	0.5
353.16034	9.2
354.16611	0.8
371.17090	6.9
397.22278	8.0
413.18396	2.3
415.23380	5.4
457.24414	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	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
56.89130	0.7
59.01377	100.0
60.01696	1.1
60.79260	0.8
61.98827	3.2
62.92973	0.7
69.19613	4.6
71.01379	18.8
73.02944	34.5
74.03274	0.9
75.24443	0.9
83.01392	7.8
85.02961	5.1
89.02444	10.0
89.24423	0.7
90.87712	0.7
95.01384	1.5
96.81704	0.9
98.22611	1.7
99.00869	1.4
101.02443	25.5
113.02444	12.2
119.03497	3.3
124.05287	2.3
125.02419	4.1
131.03468	1.5
143.03476	2.2
145.44937	0.8
149.04539	3.0
161.04570	8.3
162.05191	0.7
169.01414	3.3
176.08426	2.0
179.05565	1.3
191.10786	7.4
196.96556	1.0
203.05620	0.8
253.18028	2.1
353.16080	5.2
371.17227	2.9
397.22223	9.5
404.52423	0.8
413.17972	2.1
415.23203	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	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40211	0.5
54.42813	0.5
55.36532	0.5
57.03445	15.5
59.01378	50.5
60.03997	0.6
61.98822	2.7
66.60940	0.5
69.39725	2.8
71.01376	7.8
73.02943	3.3
73.24786	0.7
75.00876	0.6
81.03461	0.7
81.07095	1.5
83.01384	1.5
83.05001	0.6
85.02525	0.6
85.02970	4.0
89.02456	2.8
95.01365	1.0
95.05014	1.5
99.00872	0.8
99.08154	77.3
100.08494	1.3
101.02430	5.4
109.06606	1.7
109.63902	0.6
113.02461	3.4
119.03467	1.0
121.02990	0.8
123.04519	100.0
124.01665	0.7
124.04865	2.2
125.02450	10.9
127.07649	73.6
128.08000	1.9
129.05577	82.9
130.05885	1.1
138.03209	1.6
139.04033	0.6
147.11575	0.6
147.89206	0.6
153.05566	45.9
159.02975	0.7
161.04543	10.7
161.05827	1.0
168.00557	0.6
169.01401	4.8
171.05125	0.9
171.06624	19.2
185.96056	0.7
189.07681	4.0
225.28871	0.7
247.42143	0.6
253.07143	0.6
285.09799	17.0
286.09970	1.3
337.28409	0.5
397.22150	2.5
415.23373	1.1
439.16010	1.6
457.17062	30.6
458.17310	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.8
59.01377	26.5
61.79967	0.3
69.03503	0.4
69.14906	2.3
71.01381	5.6
73.02942	2.0
74.99080	0.4
81.07088	1.0
83.01389	0.5
83.05047	0.4
85.02944	2.4
87.00859	0.8
87.02305	0.4
89.02453	1.7
95.05019	2.1
99.00878	0.5
99.08156	63.4
100.08497	1.3
101.02425	3.1
105.03461	1.2
109.06598	0.8
113.02432	2.9
119.03468	0.6
123.04523	100.0
124.04838	2.2
125.02466	1.5
127.07651	72.7
128.07996	1.6
129.05585	24.3
136.99129	0.4
138.03230	0.9
149.06117	0.5
153.05574	48.9
154.05933	1.0
161.04561	8.6
169.01424	1.1
171.06628	16.1
173.30495	0.4
189.07674	2.4
285.09796	15.4
286.10257	0.6
397.22476	1.3
415.23618	1.6
457.17029	10.4
457.23325	0.7
458.17621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.9
59.01377	14.5
69.07747	2.3
71.01378	3.5
73.02944	1.9
77.03977	0.4
81.02127	0.4
81.07077	1.2
83.01404	0.7
83.05013	0.5
85.02970	2.1
89.02450	0.7
89.11658	0.4
89.12192	0.4
95.01382	0.3
95.05038	2.2
99.00878	0.5
99.08157	62.0
100.08488	0.7
101.02455	3.0
103.87766	0.4
105.03460	1.5
109.06584	0.9
113.02473	2.3
123.04524	100.0
124.04836	2.0
125.02443	2.4
127.07650	71.4
128.07971	1.3
129.05580	23.9
138.03226	1.1
153.05574	49.7
154.05920	1.4
159.02974	0.4
161.04555	9.5
169.01389	2.7
171.06628	16.2
183.73393	0.4
189.07652	2.7
242.56396	0.4
279.62558	0.4
285.06616	0.8
285.09790	16.4
286.10144	0.5
353.58746	0.4
397.22253	1.0
415.22980	0.5
439.16214	0.4
457.17133	10.7
457.23273	0.4
458.17688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01376	100.0
61.98814	2.6
63.02421	0.5
63.94457	0.5
66.50759	0.6
66.68711	0.6
69.03403	0.6
69.28773	1.9
71.01376	11.3
73.02940	8.2
74.99090	1.4
82.95423	3.0
83.01395	2.3
85.02943	4.4
87.00908	1.0
89.02441	7.1
95.01385	0.9
98.21947	1.0
99.00879	1.0
101.02436	9.0
101.06111	0.9
112.44440	0.6
113.02445	8.5
115.07680	1.5
119.03520	1.9
125.02434	3.7
136.99185	1.3
137.99586	1.0
143.03461	0.9
149.04597	0.7
159.03143	0.8
161.02464	0.8
161.04578	4.5
169.01405	4.8
179.05618	1.1
200.73676	0.7
225.14984	0.9
240.87436	0.5
245.95288	0.5
259.04379	0.6
295.15610	0.6
315.28204	0.6
397.22318	3.7
415.23489	3.7
419.22809	1.3
421.20822	3.7
448.75998	0.5
457.20499	7.9
458.21228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07594	0.5
55.02067	0.5
55.67851	0.5
56.98744	0.6
57.03445	6.0
60.40611	0.5
68.99811	1.9
71.46912	0.4
71.79906	0.4
76.76577	0.6
80.91678	3.6
81.03454	2.3
83.01389	10.1
83.27513	0.5
94.43537	0.4
96.02138	0.8
107.01379	1.1
111.00901	0.5
115.99718	0.5
118.74832	0.8
121.02981	0.6
122.03741	0.7
123.00908	4.0
123.04507	2.7
123.11346	0.5
124.01701	2.9
125.02444	100.0
126.02785	1.2
127.87035	1.5
137.02397	0.6
140.98314	2.2
149.02441	1.6
151.00346	1.7
152.01132	2.3
162.83931	3.4
164.83623	2.2
165.02031	0.6
166.02792	0.6
167.03526	2.0
169.01430	3.1
207.13921	0.7
221.11821	1.4
235.17056	1.2
249.18596	8.4
265.18066	2.1
293.17569	34.2
294.17905	1.9
315.15717	0.8
333.15912	0.6
375.21707	31.7
376.22107	1.9
394.11932	0.7
405.95901	0.5
419.04285	0.9
420.03824	1.4
421.03979	1.9
422.03900	1.2
442.27158	0.8
457.25552	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	457.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	4.8
78.01082	2.5
78.91639	2.0
88.25700	2.1
89.89982	2.1
95.01368	3.8
97.06585	5.2
108.02124	3.3
109.02909	2.5
109.06557	5.3
109.52425	2.1
110.00085	3.4
119.05029	4.6
121.02928	2.8
121.06557	2.4
123.00886	27.3
124.01669	4.7
137.02429	3.0
137.06046	5.3
137.99605	3.4
139.00404	3.2
139.07646	3.1
149.02411	13.4
165.01915	2.4
165.05605	6.5
169.01401	6.4
177.01938	3.9
177.05498	2.8
195.17471	5.4
197.19066	2.9
209.19054	3.9
217.00211	2.6
218.05655	2.4
219.17519	4.3
237.18578	4.0
241.18054	2.3
251.16573	2.5
251.20181	2.8
253.18062	3.2
263.16403	3.1
265.18134	3.2
279.15997	14.6
279.19379	4.2
279.26871	2.6
281.17557	69.4
284.92090	2.5
287.23801	5.6
289.25275	4.1
305.24911	18.3
307.15405	9.0
307.19089	27.6
307.26401	4.7
313.43832	2.3
317.21170	4.2
317.24707	5.0
333.24298	36.8
335.25839	8.6
361.23807	100.0
362.24054	6.6
377.23224	11.0
379.24997	20.7
387.21332	3.7
405.22632	12.4
414.51239	2.5
421.20526	6.7
423.24057	2.9
439.21542	38.0
440.21912	4.1
457.22650	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	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03434	0.7
59.01377	100.0
60.01689	0.7
67.92280	0.5
69.33012	1.1
69.33398	1.5
71.01378	9.6
71.05022	1.5
73.02922	2.7
79.59777	0.5
83.01402	2.0
85.02957	3.9
89.02449	3.1
95.01366	0.7
98.22620	1.3
99.00899	1.1
101.02434	7.1
111.44861	0.6
113.02437	4.7
119.03553	0.6
123.00895	0.6
125.02439	4.4
161.02510	1.0
161.04558	8.2
169.01439	2.2
180.67119	0.6
235.17131	0.5
253.14644	0.8
397.22275	11.3
397.27133	0.8
398.22986	1.2
415.22934	0.6
457.25476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
57.03445	0.6
59.01377	100.0
60.01716	0.7
61.98834	0.6
65.64853	0.3
69.35706	1.3
71.01382	7.7
73.02944	2.4
83.01409	1.3
85.02947	4.4
89.02438	2.7
95.01392	0.6
99.00888	0.6
101.02444	6.7
111.07243	0.3
113.02444	4.2
119.03484	1.7
125.02473	1.6
137.02457	0.7
141.72003	0.3
143.03452	0.6
159.03006	1.0
161.04556	7.9
161.05858	0.7
163.07716	0.6
235.17055	1.3
247.90181	0.4
289.07074	0.6
384.86240	0.4
397.22281	26.4
398.22943	1.7
457.24606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57336	0.5
57.03455	1.1
59.01376	100.0
60.01725	0.6
61.98824	5.1
68.15217	0.5
69.17271	3.1
71.01376	15.1
71.05016	0.7
73.02943	9.2
83.01392	2.8
85.02944	5.6
87.00892	0.9
87.04527	2.2
89.02438	7.6
95.01411	1.5
99.00919	1.0
101.02438	12.7
109.02959	0.6
113.02444	8.2
119.03480	3.5
125.02434	6.0
143.03513	1.1
144.73862	0.5
159.03040	0.7
161.04543	6.2
161.05600	0.5
169.01425	6.1
179.05659	1.1
203.05803	0.6
217.00307	0.6
235.17087	3.1
253.18039	6.5
295.19131	0.6
312.32645	0.7
316.24893	0.6
335.20743	0.6
366.63031	0.6
397.22266	15.7
398.22803	0.7
415.23297	11.9
457.24484	7.6
459.43222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.54264	0.3
57.03445	0.8
59.01376	100.0
60.01703	0.6
61.98830	1.3
62.78516	0.2
69.03460	0.4
69.65465	0.4
71.01377	7.5
72.99354	0.2
73.02944	2.5
74.13268	0.2
74.30870	0.2
78.95940	0.3
81.03468	0.4
83.01395	1.0
83.05044	0.4
85.02945	3.5
87.00894	0.9
89.02443	3.1
92.33552	0.2
95.01414	0.6
97.02986	0.3
97.06609	0.3
99.00867	1.1
101.02444	4.1
108.02177	0.2
109.02980	0.4
109.06600	0.3
111.00880	0.7
113.02434	2.9
115.04099	0.2
119.03540	0.7
123.04537	0.3
125.02456	3.4
126.02848	0.3
127.07663	0.6
131.03513	1.2
143.03577	0.4
144.54205	0.3
149.04579	1.0
153.01955	0.9
159.02995	0.4
161.02505	0.6
161.04550	2.1
166.99896	0.3
169.01422	3.4
173.04506	0.3
179.05670	0.3
191.05585	0.3
233.06668	0.7
235.13564	0.3
253.18069	4.4
277.11069	0.3
295.19107	0.3
305.06860	0.3
369.39682	0.3
376.72049	0.2
397.15076	0.7
397.22308	1.9
397.85638	0.3
415.16177	0.8
415.23361	2.2
421.11478	0.4
457.17413	0.9
457.24686	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73541	0.4
53.05127	0.4
55.67833	0.4
57.03445	0.4
59.01377	100.0
60.01728	0.5
61.98828	1.0
65.69978	0.3
66.93294	0.3
69.33604	1.8
71.01382	10.6
71.01781	0.6
73.02938	1.9
80.61511	0.4
83.01402	1.0
85.02949	3.7
87.00884	3.6
89.02441	10.5
95.01414	1.1
98.22648	0.7
101.02434	6.5
113.02435	5.7
119.03499	4.1
125.02473	2.3
131.03532	0.7
132.47174	0.4
143.03525	1.4
149.04622	0.5
161.04572	4.6
164.30296	0.3
167.03511	0.4
169.01431	2.4
179.05630	4.2
185.19379	0.4
207.10243	0.9
209.52605	0.4
217.00333	0.8
217.15971	0.9
235.17181	0.6
243.32553	0.4
253.18207	0.7
275.01999	0.4
379.21732	0.7
397.22241	7.4
398.22623	0.4
415.23755	1.9
457.24799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98158	0.2
55.01876	0.7
55.33602	0.2
55.54741	0.2
57.03436	1.0
59.01377	100.0
60.01709	0.6
61.98829	0.8
69.03464	0.3
69.65372	0.6
71.01378	6.2
73.02939	2.7
75.00878	0.2
81.03432	0.2
83.01372	1.0
85.02953	2.8
87.00882	0.6
89.02436	2.5
95.01411	0.6
97.02946	0.3
97.06574	0.3
98.22679	0.2
99.00893	0.8
101.02441	4.3
109.02965	0.3
109.06595	0.4
111.00892	0.4
113.02446	3.5
119.03529	0.8
121.06640	0.3
123.00900	0.2
125.02441	2.9
126.02774	0.2
127.07675	0.7
131.03516	0.6
143.03549	0.3
149.04599	0.6
153.01955	0.5
159.02977	0.3
161.02429	0.5
161.04568	2.0
169.01431	2.6
179.05559	0.3
205.16043	0.2
218.23119	0.2
233.06767	0.4
253.18068	4.8
254.18491	0.3
295.19336	0.3
305.06723	0.3
390.18323	0.2
397.14890	0.3
397.22415	1.9
404.78149	0.2
415.16501	0.2
415.17578	0.3
415.23337	2.1
457.17300	0.9
457.24622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2592
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
50.89326	0.3
55.01864	1.0
59.01364	0.7
64.55951	0.2
66.05360	0.2
69.60680	1.0
76.64549	0.2
81.03437	0.4
87.00871	0.3
88.32787	0.3
94.64115	0.2
95.01368	1.1
96.02160	1.0
109.02957	2.2
110.03736	2.7
111.00878	0.4
122.03735	1.2
123.00883	7.4
123.04550	0.4
124.01685	2.3
125.02436	1.6
135.04539	0.5
137.02440	1.9
138.03227	6.8
139.03978	0.3
142.02711	0.4
148.05432	0.2
151.00400	0.5
151.03992	1.0
160.05234	0.4
165.05653	0.3
166.02733	1.7
169.01459	0.7
179.03502	1.1
180.04184	0.5
181.61655	0.2
198.01785	0.3
202.67931	0.3
209.11754	0.3
212.83255	0.2
263.16483	0.5
291.16013	0.3
293.17487	0.5
301.18149	0.2
301.21985	0.3
301.25412	1.1
303.23004	0.3
308.46378	0.3
345.24216	0.6
355.22516	0.3
357.27905	0.6
359.53418	0.3
367.26257	0.5
385.27316	0.8
411.25354	1.7
421.23926	1.3
429.26416	11.3
430.26688	0.5
439.24756	2.4
440.24951	0.5
457.25925	100.0
458.26245	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	457.2594
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
54.26975	0.6
59.01366	2.3
61.98807	1.4
65.84505	0.5
76.73795	0.6
76.99875	0.6
85.92747	0.6
93.03461	0.8
95.01368	1.3
96.02177	1.1
98.34518	0.6
106.56760	0.6
107.05046	1.0
108.02168	2.0
109.02953	8.0
110.00111	1.4
119.04999	0.7
121.02959	1.8
123.00877	3.3
123.04508	1.1
124.01665	5.7
125.02422	4.7
135.04518	9.9
136.05328	0.8
137.02470	7.7
137.06056	1.3
138.03178	1.6
139.04008	2.1
145.02934	1.2
149.02408	4.6
149.06075	5.8
150.73999	0.6
151.04004	2.5
157.57289	0.7
159.04504	1.7
161.02385	0.9
163.04002	7.0
164.04778	1.0
169.01436	3.3
177.05566	15.9
179.07202	1.0
191.07190	0.8
217.00302	2.6
261.14859	0.9
303.19781	0.7
304.20410	2.1
317.21283	1.1
367.18985	0.7
369.27975	2.6
374.99393	2.0
384.19623	1.4
395.25836	0.8
398.24557	2.1
399.21725	2.3
407.22052	0.9
424.22391	2.7
425.23325	2.3
439.24869	2.8
442.23587	32.8
443.23917	2.6
457.25946	100.0
458.26236	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	457.2594
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
50.00923	0.5
54.34632	0.4
57.91412	0.5
59.01369	1.0
61.98828	1.1
65.01382	0.5
65.03955	0.7
69.39037	2.1
81.03429	1.0
83.39839	0.5
95.01355	0.6
96.02175	0.6
98.22565	1.3
100.91446	0.5
101.56020	0.5
108.02168	3.6
109.02951	11.3
110.03701	0.6
122.03755	1.7
123.00874	3.8
123.04509	1.8
124.01650	1.9
125.02436	1.9
135.04491	1.3
137.02448	21.4
138.03239	4.7
151.04004	18.8
152.04630	0.6
160.84221	1.5
162.83952	1.8
163.03996	2.2
163.07654	0.6
165.05533	0.8
169.01413	2.1
177.05617	0.9
179.07089	1.0
193.08781	0.9
207.10252	0.8
217.00299	1.4
219.10147	1.0
221.11870	0.6
247.13303	1.1
261.15103	0.7
263.16681	0.6
277.17984	0.8
289.17990	0.7
303.19733	1.8
310.61740	0.5
339.23331	0.9
349.42288	0.6
374.98880	1.0
383.22244	1.8
400.22556	1.2
415.24951	0.6
421.09412	1.0
424.22534	0.7
425.23422	5.4
439.25180	1.0
442.23581	49.7
443.23935	3.2
457.25964	100.0
458.26233	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	457.2598
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
59.01382	2.2
61.98823	2.0
67.01895	1.1
78.95340	0.9
88.51695	0.9
90.18765	0.8
91.31561	1.0
93.40152	0.9
95.01374	3.0
96.02172	1.1
97.06606	1.0
108.02161	1.9
109.02914	2.6
111.00837	1.3
123.00889	23.8
124.01668	4.6
125.02458	4.2
137.02440	12.3
139.00371	2.0
151.00478	1.9
152.01132	1.4
165.01923	16.5
165.03256	1.8
169.01399	3.6
170.52750	1.1
179.07156	2.2
193.15939	3.7
291.19907	1.8
293.00580	1.1
359.25992	1.2
413.30759	2.7
425.23309	4.2
429.26352	10.2
442.23315	3.4
457.25928	100.0
458.26212	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2959
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
55.01876	0.3
57.26559	0.2
59.01374	0.2
61.98835	0.3
62.11874	0.1
66.72482	0.1
69.72328	0.2
69.72658	0.3
81.03465	0.4
93.03497	0.2
95.01395	0.3
95.05022	0.3
96.02116	0.2
108.02177	1.0
109.02969	1.0
109.06598	0.2
110.03733	0.6
119.05044	0.2
119.94729	0.2
121.02923	0.2
121.06561	0.2
122.03741	2.9
123.00936	0.4
123.04523	28.5
124.01653	2.1
124.04753	0.3
124.05390	0.3
125.02444	1.5
135.04514	1.8
136.01620	0.2
136.05302	0.9
137.02441	5.3
137.06079	2.2
138.03233	3.2
139.04015	1.0
141.47554	0.1
142.02693	0.2
147.04556	0.8
148.05255	0.2
149.02507	0.3
149.06064	0.5
150.03270	0.7
150.04332	0.1
151.04001	29.0
152.04800	4.3
154.02766	0.2
156.04218	0.3
162.06853	0.1
164.04802	0.5
165.05563	24.1
165.09244	0.6
166.02705	1.0
166.05905	0.8
167.03415	0.1
169.01451	1.0
175.07599	0.3
177.09082	0.1
179.07104	1.0
179.10791	0.4
189.09152	0.2
193.08675	1.0
193.12383	0.2
207.10257	1.5
209.11823	0.7
221.11774	1.0
221.15320	0.2
233.15460	0.2
235.13354	0.7
235.17128	0.2
237.15012	0.4
247.17033	0.3
249.14973	0.5
263.16638	0.8
263.84109	0.1
277.18198	0.4
278.18652	0.2
289.21664	0.4
291.19742	0.3
291.23215	0.2
293.17691	0.5
301.21649	0.2
305.21417	0.2
306.22018	0.8
319.22809	0.8
341.25323	0.2
355.26276	0.2
357.24310	0.4
369.27887	0.3
381.28131	0.2
383.25925	0.3
399.25510	0.3
409.23938	0.4
413.26956	0.8
414.27225	0.2
424.26050	0.3
425.26971	6.6
426.27206	0.5
427.24619	1.0
441.26413	0.7
442.27209	83.0
443.27545	6.8
457.29605	100.0
458.29956	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	457.2956
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
53.97472	0.5
55.40930	0.4
66.51650	0.4
68.99808	0.6
72.14931	0.4
78.95892	1.0
81.03455	3.2
93.98899	0.5
95.01389	0.6
96.02180	0.6
96.42965	0.4
96.96011	2.1
96.96950	1.7
108.02180	1.7
109.02947	10.6
110.03770	0.9
114.29928	0.4
122.03744	0.8
123.00891	4.2
123.04519	10.2
124.01728	3.3
125.02454	1.0
135.04472	0.5
137.02440	14.7
138.03226	2.8
150.03215	0.6
151.04004	15.4
152.01192	0.5
152.04562	0.5
159.04555	0.7
162.83867	1.0
163.11240	2.1
164.83606	0.6
165.05545	1.8
169.01404	1.5
176.04793	1.3
179.07237	0.6
182.83902	0.4
193.08781	1.1
207.10342	0.5
221.11847	0.7
233.15434	1.0
236.14253	0.6
245.15462	1.4
260.14078	0.6
261.14935	6.1
281.11731	0.8
293.17584	3.1
303.19498	0.6
331.19040	0.6
359.25897	7.7
367.10822	0.8
409.24030	0.8
420.03955	0.6
421.04056	0.9
425.27057	1.9
427.24857	3.3
441.26257	0.7
442.27219	49.7
443.27432	4.4
457.29620	100.0
458.30032	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	457.2958
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
66.82573	1.9
69.40340	9.3
69.79309	2.3
122.03727	2.0
123.00916	6.9
124.01684	3.3
157.46619	2.1
159.04486	23.1
169.01427	2.6
187.04025	2.4
218.13217	5.5
233.15433	2.4
237.14963	29.6
266.52325	2.0
273.86823	2.1
385.31064	12.9
389.06674	2.1
413.30612	4.1
457.29767	100.0
458.30261	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	457.2959
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
50.51850	0.5
57.02461	0.4
58.16991	0.6
61.98820	0.7
65.03954	0.6
69.16174	2.9
81.03448	1.1
94.66806	0.4
95.01383	0.9
96.02158	0.7
96.48373	0.5
98.30927	0.5
108.02165	3.1
109.02947	15.9
110.03734	1.1
121.73911	0.5
122.03738	0.9
123.00886	3.9
123.04544	2.5
124.01656	3.0
125.02432	1.7
137.02441	22.5
138.03233	5.3
149.02524	0.9
149.06068	1.6
151.04007	25.1
152.01129	1.2
160.84206	1.5
162.83949	1.1
165.05530	2.0
165.06848	0.5
169.01447	1.3
172.29881	0.5
179.07063	0.9
193.08679	1.2
207.10251	0.7
221.11835	0.6
235.13467	0.9
239.28882	0.6
249.14790	0.9
270.24417	0.6
273.43497	0.5
279.16013	1.6
281.17508	4.0
282.18054	0.5
285.52267	0.5
291.19699	0.7
292.20505	1.4
305.21292	1.2
305.24814	1.1
307.19028	1.7
307.22470	0.7
317.24500	0.8
333.24359	2.6
335.26108	0.5
339.23468	0.5
343.22604	0.6
361.23846	5.5
379.24890	0.7
405.22830	0.8
421.20602	0.5
425.27002	5.4
439.21698	2.4
441.26523	0.7
442.27219	74.4
443.27698	5.0
457.29507	100.0
458.29898	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	458.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29917	1.5
59.01361	6.4
59.44550	1.4
61.98820	2.2
71.42699	1.4
71.55377	1.6
77.31619	1.6
77.86500	1.6
78.01109	1.7
83.93050	2.1
84.93857	6.4
89.65022	1.7
99.92580	38.8
100.92693	1.6
100.93359	4.6
109.02937	3.9
115.92084	9.5
116.92845	4.8
118.89961	6.2
123.00876	1.6
127.87032	3.7
128.87856	2.0
129.86736	2.3
135.90190	1.9
137.02441	3.8
137.99591	5.5
141.01654	3.4
141.88570	1.8
149.91771	4.1
151.03984	1.8
159.86024	1.7
160.84128	1.9
162.83926	4.0
164.83607	51.6
176.82750	1.5
177.05539	1.5
193.16119	3.4
195.17511	29.8
196.17802	1.9
219.17535	5.0
221.92548	2.0
241.42950	1.5
245.18533	1.8
251.11040	2.4
251.16524	13.2
267.15829	4.8
279.10608	3.2
279.15982	15.6
294.95294	3.2
295.09888	4.5
297.16974	3.6
298.97250	3.7
305.78287	1.8
311.30191	1.9
312.91949	2.1
315.08994	2.5
316.19550	2.4
339.18118	7.4
367.89304	1.7
375.21054	3.0
376.21402	5.8
379.08588	8.1
394.11050	8.1
398.05896	2.4
420.07278	17.1
422.10532	100.0
423.10818	8.6
444.25125	2.9
457.25620	4.7
458.07919	2.3
458.26630	8.0
459.27460	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	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14878	0.2
57.03455	0.3
57.08421	0.2
59.01379	7.7
60.01707	0.6
61.98829	100.0
68.93616	0.2
70.34728	0.2
71.01383	1.2
71.14019	0.2
73.02943	0.5
78.95924	0.2
85.02955	0.5
87.00935	0.2
88.98796	0.3
89.02443	0.6
101.02462	0.7
113.02480	0.7
119.03545	0.3
125.02483	0.9
137.02513	0.3
151.15315	0.2
161.04575	0.3
397.19766	0.2
398.19678	0.6
415.23758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	42.6
60.01701	3.1
60.99304	1.2
61.98809	2.6
69.21961	5.1
71.01377	7.3
73.02934	3.7
83.01385	1.6
85.02946	4.2
88.98787	1.3
89.02441	5.0
97.65967	1.1
99.00848	1.6
101.02419	5.8
113.02452	5.3
119.03485	1.8
125.02444	14.9
126.02757	2.8
137.06075	1.3
161.02429	2.5
161.04539	5.6
169.01399	8.4
170.01727	4.3
179.05634	1.6
218.69533	1.4
235.09724	2.5
236.10092	3.9
237.14941	100.0
267.07153	4.6
273.94623	1.1
359.87534	1.4
370.19131	1.6
399.20084	2.0
415.23453	15.4
416.23550	1.6
458.23984	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	458.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
59.01378	100.0
60.01704	4.5
61.98824	3.3
69.47724	2.9
71.01379	12.0
73.02943	3.2
83.72206	1.0
83.90459	1.0
85.02944	3.8
87.00874	4.3
88.98807	8.9
89.02442	14.4
101.02438	6.7
102.02785	1.2
113.02438	5.7
119.03490	2.4
123.93233	0.9
125.02441	2.5
159.02870	1.2
161.04547	4.5
169.01367	1.8
179.05533	2.8
213.92163	0.9
231.22115	1.0
275.77359	1.0
398.22528	4.4
399.24057	2.7
401.10818	1.0
415.23386	16.7
416.23865	1.7
458.24155	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	458.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97868	1.0
59.01378	100.0
60.01702	4.6
61.98827	33.0
64.13709	0.9
69.21145	6.4
71.01382	11.3
73.02950	5.3
84.00310	1.0
85.02943	4.2
89.02436	6.6
97.30866	1.0
98.21835	2.3
99.00876	1.2
101.02445	8.1
113.02436	6.6
116.92870	1.3
119.03487	3.7
125.02416	4.3
126.02791	1.3
137.02408	1.2
139.04025	1.5
152.90605	1.0
161.04552	5.0
169.01421	3.9
170.01756	2.8
174.04733	1.0
179.05638	2.4
237.14813	1.9
385.22943	1.2
398.22803	2.7
399.23727	2.4
415.23392	12.5
416.23575	3.0
455.49084	1.3
458.19177	4.4
458.24823	1.6
478.37567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
59.01377	100.0
60.01715	5.6
61.98827	23.1
66.22758	0.8
69.52751	0.8
69.53085	4.1
71.01377	10.7
73.02927	4.1
83.01406	2.0
85.02943	4.9
87.00859	1.6
89.02436	7.3
95.01415	1.5
101.02436	9.6
113.02464	5.9
119.03484	2.8
122.03723	4.6
123.04041	1.5
124.01718	1.0
124.05286	3.0
125.02449	3.8
125.70401	0.8
137.06071	6.7
138.06401	4.0
161.04561	5.2
169.01427	3.7
170.01724	1.4
170.04765	0.8
179.05643	2.2
204.80345	0.9
209.11806	3.5
210.12138	4.0
237.14919	1.3
253.10780	1.1
257.99097	1.0
263.54007	1.0
267.08511	0.9
297.13306	2.7
335.18600	1.2
398.22592	3.6
399.23828	2.8
415.23358	39.0
416.23630	2.5
458.24396	1.9
459.18561	1.3
483.14319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.7
59.01378	100.0
60.01701	6.1
60.36566	2.0
61.98830	23.3
66.41314	1.8
69.40604	7.7
69.41000	4.5
71.01376	19.4
73.02943	8.0
82.15441	2.2
84.95114	7.6
85.02952	10.2
87.00867	9.0
89.02435	18.8
94.58335	1.9
95.01352	3.4
99.00896	2.8
101.02434	21.5
113.02469	11.9
113.41286	2.3
119.03510	6.0
125.02412	6.9
137.02481	2.2
159.02948	2.4
161.04550	14.3
165.09296	3.9
169.01418	7.6
170.01668	2.3
179.05620	3.2
198.63774	2.6
210.99512	2.3
253.18073	3.2
356.15820	2.6
415.23364	79.2
416.23633	6.9
458.24207	5.2
459.18723	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	458.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60905	0.9
54.62025	0.8
55.01860	1.0
57.03453	1.5
59.01378	100.0
60.01708	3.5
61.98829	10.6
62.40627	0.9
65.59294	0.8
68.87694	1.1
69.18683	1.0
69.24656	2.3
69.25063	3.9
71.01385	11.8
73.02939	4.5
83.01376	2.3
84.95112	2.8
85.02946	6.8
87.00864	2.4
89.02446	5.4
95.01363	2.1
98.21778	1.6
99.00883	1.5
101.02446	12.0
113.02448	6.1
119.03486	1.1
125.02427	2.7
158.10936	1.0
159.02983	1.4
161.04552	9.7
169.01372	4.0
170.01717	1.6
179.05702	1.3
244.59262	1.2
254.18320	1.5
307.59259	1.1
312.04974	1.2
398.22684	1.4
399.23730	4.0
415.23373	49.9
416.23813	5.9
458.24033	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	458.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42174	1.3
56.94166	1.7
59.01378	100.0
60.01691	4.1
61.98830	14.5
63.18358	1.4
71.01385	13.7
73.02947	5.8
83.01376	2.3
85.02950	5.9
89.02456	6.7
99.00868	2.8
99.93448	1.5
101.02443	14.3
101.63158	1.4
113.02448	8.3
119.03499	3.2
125.02473	3.5
132.17867	1.4
133.36267	1.3
156.44101	1.3
161.04575	11.7
169.01407	5.6
170.01720	2.3
179.05655	2.3
251.16484	2.4
398.22501	3.5
399.24030	2.0
413.21790	3.3
415.23373	31.8
416.23645	3.2
458.23895	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	458.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44858	4.2
52.53660	4.6
59.01378	100.0
61.54262	4.5
61.98830	68.9
67.93584	4.3
69.35846	8.5
69.36226	12.7
71.01382	10.3
73.02939	9.1
83.77657	4.9
85.02950	6.4
89.10915	4.9
101.02454	11.2
113.02458	8.1
125.02437	14.4
137.02463	9.1
141.97969	4.7
161.04546	18.2
165.68678	5.3
169.01395	6.7
223.17798	4.5
404.64114	4.7
415.23331	38.8
458.24258	27.2
465.81131	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	458.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01380	44.3
73.02943	8.1
85.02944	10.4
89.02455	31.6
101.02434	21.1
110.03304	6.8
113.02486	11.4
119.03455	11.0
125.02428	19.3
131.03448	7.1
161.04546	16.2
169.01364	14.0
179.05522	10.8
184.09285	6.3
191.05595	9.3
221.72385	5.6
227.33171	6.3
232.96165	6.1
233.06604	12.5
415.16095	17.9
415.23267	56.3
458.23764	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	458.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.2
59.01381	16.2
60.55703	0.7
61.98805	0.7
69.03472	1.8
71.01383	7.9
73.02942	2.7
81.03477	1.8
81.88229	0.8
83.01384	2.8
85.02950	3.5
89.02454	4.1
96.96033	0.9
97.02958	2.6
99.00874	1.3
101.02436	6.3
105.03455	1.5
107.01407	0.9
109.02965	3.2
110.03272	0.8
113.02451	3.5
119.03504	1.0
121.03001	0.9
124.01655	1.7
125.02448	73.0
126.02782	29.9
127.02953	1.0
137.02461	4.2
138.02831	0.9
139.04002	1.8
143.03438	0.9
149.02440	0.9
151.04002	1.6
154.02295	1.6
161.02490	5.9
161.04556	5.0
162.02769	2.3
165.01903	1.7
165.09190	1.1
167.03535	2.5
169.01425	100.0
170.01765	49.5
171.01872	1.2
177.01952	2.1
177.05563	1.1
178.02260	1.1
179.03580	1.0
179.07111	2.0
193.01416	2.2
194.01822	1.0
213.49312	1.0
222.43030	0.8
223.06032	2.0
235.13373	1.1
237.59767	0.8
293.08749	1.2
297.13007	0.8
304.05502	1.0
305.06744	3.7
306.07025	10.3
327.14508	1.5
332.04892	1.8
415.23373	20.0
416.23758	1.3
444.13232	1.1
458.08191	2.1
458.24072	1.2
459.19055	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	458.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97855	7.2
55.19049	7.7
61.98826	100.0
63.99262	16.5
69.46551	23.3
83.37013	7.3
98.21851	7.7
137.70262	7.1
149.02129	8.8
156.98755	7.7
163.01447	9.7
169.60121	8.6
220.99304	7.7
222.16548	9.4
237.14955	9.8
239.45387	8.9
324.88647	9.2
336.23245	11.5
393.26190	8.6
421.15292	9.5
458.29926	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52030	12.9
59.01398	15.4
69.29508	54.5
71.31581	12.3
84.00912	100.0
90.38510	16.4
96.96072	11.2
113.84518	12.0
116.43967	12.7
116.97318	13.2
123.00912	40.2
127.86990	17.1
164.83655	14.4
165.01987	12.1
254.34795	11.7
333.20703	70.2
334.15363	15.3
420.03763	25.8
459.07986	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	459.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01371	2.8
69.36700	2.9
69.37090	1.5
81.03458	3.2
95.01418	1.1
96.95994	1.2
108.02168	25.9
109.02945	50.9
109.78564	1.2
110.03336	1.4
116.92850	6.0
123.00859	1.3
124.01661	1.2
125.02456	12.4
137.02475	4.2
139.04042	3.8
152.01173	2.6
153.01927	100.0
154.02280	1.8
165.01952	1.7
167.03506	2.1
177.01942	2.4
179.03503	2.5
192.00648	2.8
207.02837	1.5
219.06679	2.8
221.04344	1.3
231.07108	0.9
285.06180	3.4
305.06656	19.6
345.86288	1.0
459.11334	2.2
459.18967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.0
60.98703	0.9
61.78062	0.9
70.16075	1.9
71.01383	1.9
89.02470	1.5
96.96001	1.5
124.01646	1.9
125.02455	7.1
126.02769	1.6
127.02973	1.3
127.84279	0.8
136.01648	1.4
137.02438	1.1
138.03270	1.6
139.71519	0.9
149.02423	1.0
150.03223	0.9
152.01114	1.4
161.02429	5.3
162.03220	4.4
164.01164	5.7
165.01945	1.4
165.46593	0.8
166.02707	5.8
167.03638	0.9
168.00584	1.2
169.01378	4.6
170.01778	1.7
171.01912	2.1
177.01924	2.1
178.02707	3.2
178.99806	1.7
180.00664	1.2
181.05186	1.0
182.07393	0.8
183.02945	1.1
189.01840	1.4
190.02728	9.4
192.00645	90.9
193.01405	33.4
193.08699	2.0
194.02191	23.3
196.03827	1.0
205.01370	6.1
205.04930	1.0
206.02177	5.9
207.02979	38.7
208.03429	1.4
209.01088	1.3
209.04669	1.6
221.00864	4.8
222.01711	14.0
232.03619	1.0
234.01678	25.6
235.02197	1.4
237.04042	8.4
249.04036	18.6
294.93204	0.9
312.04651	1.3
313.05670	1.4
327.07230	2.0
423.09109	1.0
444.09091	6.8
447.24179	0.9
459.11432	100.0
460.11624	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	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
66.12798	0.6
69.62644	1.8
71.01409	0.6
73.02942	41.8
78.95875	0.5
84.67609	0.5
89.02437	0.8
89.74770	0.5
99.00875	4.7
99.92589	1.0
108.02185	1.4
109.02956	0.9
113.17221	0.6
116.74574	0.6
116.92862	7.1
117.01934	100.0
118.02258	1.1
125.02415	1.0
137.02432	0.7
152.01128	1.5
153.01961	2.7
171.73724	0.5
177.01985	1.3
192.00597	1.7
193.01477	1.1
193.08694	1.4
194.02225	0.6
206.33209	0.5
207.02956	0.9
285.06140	1.7
459.11221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10416	1.0
59.01380	4.1
67.61253	0.8
69.28930	2.6
69.29339	1.9
71.01385	2.8
73.02946	36.9
79.60316	0.9
87.00875	1.5
89.02438	2.0
96.18433	0.9
97.87556	0.9
98.21884	2.0
99.00875	4.2
99.92547	1.7
101.02456	0.9
105.01945	1.1
108.02172	33.4
109.02969	4.5
110.57796	1.1
111.00874	2.4
113.02438	1.0
116.92856	17.9
116.95987	1.0
116.97219	1.4
117.01942	100.0
118.05123	1.1
119.03459	1.7
120.60291	0.8
142.99893	0.9
145.74588	0.9
147.02968	0.9
152.01143	27.4
153.01930	13.8
165.04100	2.2
191.01918	1.8
192.00630	3.8
193.01428	1.8
194.02168	1.6
199.41621	0.9
207.02994	1.0
234.01543	1.7
249.03969	1.1
279.10703	1.0
285.06168	49.6
286.06467	1.7
307.78156	1.0
341.10724	1.3
459.11566	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	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04176	0.3
59.01377	100.0
60.01721	1.2
61.66544	0.4
61.98831	3.8
71.01386	2.4
71.45254	0.3
73.02950	0.5
75.28629	0.4
77.94988	0.3
85.02940	0.6
87.00890	1.2
89.02466	1.4
101.02448	1.6
113.02461	1.3
119.03490	0.7
124.32645	0.4
142.59018	0.3
161.04587	1.0
163.77472	0.3
207.13885	5.6
214.29869	0.4
225.14900	2.0
251.12950	0.4
267.16040	2.1
281.13965	5.0
282.14691	4.9
297.17114	1.7
311.15161	1.4
399.23770	0.8
416.23950	0.6
417.24783	0.7
444.20294	1.4
459.22260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43344	1.0
57.03447	1.2
58.15040	0.9
58.50575	1.1
59.01379	100.0
60.01709	1.5
60.58638	0.9
60.99305	9.6
61.98833	4.8
69.80514	1.4
69.80842	2.1
70.55988	0.9
71.01376	5.2
73.02943	3.2
83.01376	1.2
85.02936	3.3
86.65341	1.0
87.00872	3.4
88.98806	67.8
89.02441	39.7
98.21877	1.4
98.41045	1.0
99.00870	1.5
101.02448	5.1
102.34019	1.0
113.02433	2.7
125.02445	7.9
133.02975	1.1
161.02449	4.3
161.04565	2.5
177.01903	1.4
177.38138	1.0
399.23898	5.0
459.22089	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	459.1889
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
54.74526	0.6
55.01890	1.2
57.03452	1.2
58.00603	0.9
59.01379	29.2
60.01728	0.7
61.98829	7.9
69.22052	3.6
71.01379	19.0
72.99325	1.1
73.02941	3.7
79.00717	0.6
81.47870	0.6
83.01393	2.9
84.02976	0.7
85.02954	7.4
87.00874	1.4
89.02441	11.7
95.01397	1.4
98.21899	1.6
99.00887	1.3
101.02441	12.7
111.00898	0.6
113.02441	8.7
119.03465	3.7
121.02966	2.8
122.03766	2.3
123.22531	0.7
131.03519	2.9
134.41605	0.7
138.29100	0.6
147.08159	2.0
149.09698	10.6
164.08308	0.9
165.09198	80.6
166.09555	2.1
207.10251	6.3
219.10187	1.4
225.80009	0.6
309.13480	1.6
311.63098	0.6
327.14468	100.0
328.14850	6.0
339.51434	0.6
431.44473	0.7
459.18686	58.7
460.18939	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	459.1872
Annotation	Loniceracetalide B
Peak:m/z	Relative Intensity
52.64712	0.6
55.27208	0.6
57.03456	0.7
59.01379	12.8
59.61736	0.6
71.01379	3.8
71.05009	0.7
72.69349	0.6
73.02921	0.7
80.24758	0.5
81.14942	0.7
85.02941	1.2
89.02448	3.7
93.03534	0.6
95.01388	1.0
96.96002	0.8
97.02924	1.4
98.21957	0.7
101.02458	1.1
108.02183	1.6
109.02960	3.7
110.03761	1.1
113.02442	1.0
121.02910	1.2
122.03710	1.0
123.00873	0.6
123.04536	3.9
124.01661	21.3
125.02470	2.8
129.48535	0.6
134.03722	1.8
137.02426	3.1
138.03224	4.8
138.62798	0.6
149.02386	0.8
151.04059	0.8
152.01138	0.7
161.04568	0.8
163.07629	1.1
164.04715	1.0
165.09204	2.2
166.02713	5.2
175.07487	0.7
181.05106	0.7
191.10811	1.3
195.06520	0.8
201.09222	0.8
207.13925	0.6
209.11797	4.5
217.12366	3.7
219.10339	3.1
220.06956	0.7
225.04022	7.3
233.06696	0.9
233.11807	1.7
234.12590	3.0
235.13400	35.9
235.87726	0.7
236.10538	4.1
236.13756	1.7
237.11320	100.0
238.11687	3.8
240.06396	5.6
243.10388	0.7
255.08771	6.0
261.11319	5.7
278.97525	0.6
279.12381	14.0
279.15192	1.2
293.08789	1.5
296.12592	2.6
297.13419	56.3
298.13782	3.1
303.12216	1.2
311.99625	0.6
327.14282	0.7
399.16724	3.4
441.17569	2.4
459.18716	97.1
460.19138	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	459.1872
Annotation	Loniceracetalide B
Peak:m/z	Relative Intensity
52.01862	1.7
52.33057	1.8
59.01378	66.6
61.98834	3.7
69.23420	10.0
71.01373	15.2
73.02938	7.0
77.06733	2.0
83.01341	2.9
85.02938	7.5
89.02444	9.0
92.50140	1.9
93.03443	9.1
95.01339	5.8
96.96008	7.8
97.02959	2.1
101.02440	14.0
108.02147	6.3
109.02956	7.3
113.02438	6.2
116.92859	2.1
119.03487	2.9
121.02956	7.4
123.00875	35.3
123.04499	8.7
124.01656	28.0
125.02451	15.9
137.02443	33.7
138.03235	21.5
139.04039	14.4
149.02409	2.5
149.04584	2.4
151.04013	3.1
152.01135	4.7
152.03545	4.5
153.01949	4.1
153.05522	3.8
161.02448	5.4
161.04535	4.8
163.04008	1.9
165.05481	2.6
165.09059	2.4
166.02731	4.4
166.99841	10.9
167.03493	4.6
169.01393	3.8
179.05533	3.5
181.04945	3.3
182.02217	46.3
197.04539	61.8
209.11823	4.6
217.12332	2.5
219.10291	3.1
225.04036	4.8
235.13342	33.8
236.10519	4.4
236.13652	2.4
237.11293	100.0
238.11731	3.8
240.06369	4.2
243.06621	11.3
255.08711	7.2
261.07489	3.9
261.11264	2.5
279.12369	15.0
281.06732	16.0
297.07706	2.9
297.13361	47.0
312.28638	2.3
399.16492	5.2
413.21762	5.7
416.23535	2.9
421.11383	61.1
422.11862	5.7
423.12134	9.1
459.12686	5.0
459.18686	82.2
460.18820	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01378	46.2
59.07858	0.9
61.84975	1.0
61.98825	15.4
71.01362	5.1
73.02956	2.6
81.03445	1.1
83.01370	1.2
85.02943	1.8
88.98806	3.2
89.02445	7.5
95.04974	1.3
99.04460	1.4
101.02429	4.2
106.59125	1.1
113.02428	2.6
119.03451	1.1
121.03040	1.3
123.04552	2.2
125.02442	11.1
135.04401	1.2
136.05276	2.2
137.02440	3.6
149.02475	1.7
150.03168	1.0
150.06879	1.6
151.03979	2.9
151.07593	3.9
161.02428	2.9
161.04536	2.7
161.05946	1.4
163.04047	1.8
163.11319	1.5
165.05547	3.1
167.03491	1.8
171.06627	1.7
175.03896	1.2
176.04770	1.1
177.05515	3.3
178.06331	5.0
190.02658	1.4
191.03441	2.3
193.08691	3.3
197.86685	0.9
203.03557	1.4
204.04193	1.3
205.05054	30.3
207.06395	1.1
209.04430	1.2
222.08911	2.3
233.04539	36.0
234.04877	1.4
235.13303	2.1
237.11313	100.0
238.11627	3.7
245.04544	1.3
263.05621	1.8
269.04684	1.0
269.38629	1.2
279.06625	1.3
279.12686	1.3
297.16830	1.6
315.08630	1.8
339.08701	17.7
416.23816	1.8
417.24670	1.3
446.03928	1.1
459.12964	36.1
459.21982	4.2
460.13287	3.3
464.43817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
59.01377	34.2
60.01698	0.6
60.96839	0.6
61.98828	7.9
71.01367	5.1
73.02946	2.5
83.01378	1.3
85.02938	1.8
85.44877	0.6
89.02436	3.3
89.49837	0.6
95.05022	0.8
101.02444	4.0
113.02439	3.1
124.01620	0.6
125.02448	2.9
137.02391	0.8
146.40121	0.8
157.08682	0.6
161.04529	3.8
169.01376	1.0
169.05092	0.9
179.05617	1.0
235.13287	1.0
237.14938	100.0
238.15338	3.8
238.85579	0.7
265.14407	0.9
297.13504	1.5
413.21451	0.8
416.23575	1.4
417.24719	1.8
459.18146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16084	0.5
55.01864	1.0
57.03435	1.4
59.01378	11.2
61.98826	4.7
71.01375	3.6
71.05021	0.7
73.02968	0.8
76.95390	0.4
83.01412	0.6
85.02961	2.2
87.00864	0.8
88.98803	2.2
89.02438	2.5
89.75217	0.4
95.01387	0.5
95.05010	0.8
99.00829	0.6
101.02412	2.3
101.36993	0.4
103.58218	0.4
113.02493	2.3
125.02449	5.9
127.07703	0.5
135.11794	0.6
136.05281	0.7
137.02458	1.1
137.06099	0.5
159.03090	0.5
161.02408	1.1
161.04515	3.1
169.01398	0.8
171.06570	0.8
177.05505	0.4
179.10808	0.5
207.21729	0.5
237.14952	100.0
238.15308	4.5
267.07172	2.3
279.12305	1.2
297.13516	0.9
370.55847	0.5
387.08578	0.5
399.20071	1.3
413.89908	0.5
415.15625	0.6
459.14227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69336	1.3
69.69695	1.2
80.91683	9.0
81.03460	2.8
82.01950	0.6
83.01397	0.6
116.92886	1.1
123.04519	1.3
124.01614	0.8
125.02444	2.3
137.02440	1.5
143.74603	0.6
152.01175	0.9
153.01927	7.7
153.63260	0.6
154.02664	1.6
167.03468	1.0
205.08644	1.5
223.09744	1.0
247.20552	1.0
249.18478	1.1
273.35764	0.6
277.14529	0.9
289.21823	3.9
293.17691	1.4
319.19131	19.4
320.19910	100.0
321.20322	4.7
331.62448	0.7
333.20697	24.5
334.21106	1.7
362.20987	8.0
363.21460	0.8
377.23303	47.9
378.23624	2.6
403.12292	0.8
405.09109	0.7
423.10266	6.1
459.27383	3.8
460.08426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01698	0.7
61.98830	10.6
62.78773	0.4
70.67869	0.7
71.01389	5.0
73.02942	1.9
77.08668	0.4
83.01385	0.7
85.02933	2.2
86.96785	0.4
88.98816	1.2
89.02442	4.8
95.01390	0.4
99.01760	0.4
101.02433	5.1
113.02434	2.5
116.56504	0.4
119.03523	1.4
143.03503	0.7
159.02989	0.4
161.04538	4.2
179.05647	0.9
226.52332	0.5
238.51076	0.4
297.60638	0.4
328.16211	0.4
399.23819	10.4
400.24292	0.7
413.43063	0.4
417.25024	0.6
443.22998	0.6
459.26010	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67160	0.3
51.79633	0.2
55.85416	0.3
57.03456	0.4
59.01377	100.0
60.01720	0.8
61.98815	0.9
62.60319	0.3
64.97566	0.2
71.01379	8.2
71.27827	0.3
72.99338	0.4
73.02943	4.3
73.32456	0.2
79.94246	0.3
83.01382	1.4
85.02950	3.9
86.10027	0.3
87.00894	0.4
87.04517	0.8
89.02441	2.5
90.08562	0.3
95.01397	1.1
97.02968	0.3
99.00874	0.8
101.02446	4.5
111.45670	0.3
113.02451	6.0
119.03503	0.7
121.02944	0.4
125.02451	0.7
127.85867	0.3
143.03537	0.4
161.04559	3.8
179.05666	0.3
191.03561	0.5
237.11188	0.3
300.12036	0.3
399.23959	7.6
410.55536	0.3
417.25568	2.6
459.22253	7.7
460.22571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93979	0.3
55.01867	0.5
55.80319	0.3
59.01377	100.0
60.01709	0.7
61.98834	1.6
69.47169	1.0
69.47516	0.6
71.01382	6.7
73.02941	3.6
75.00876	0.3
82.95408	1.9
83.01391	1.9
85.02946	3.3
87.00864	0.4
87.04503	0.5
89.02441	3.6
93.90652	0.4
95.01373	0.6
97.03015	0.5
99.00899	0.8
101.02441	5.7
101.06116	0.3
113.02451	3.9
119.03535	1.2
125.02426	1.7
131.22939	0.3
137.02477	0.5
143.03482	0.5
149.04567	0.4
161.04558	2.5
179.05742	0.8
192.10712	0.3
255.19711	0.4
271.06189	0.3
323.84262	0.3
381.22519	0.5
399.23810	4.2
417.24988	5.5
438.26611	0.4
459.26709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	0.5
59.01377	100.0
59.19860	0.6
60.01713	0.8
61.01786	0.6
61.98827	32.8
69.60453	1.7
71.01381	6.3
73.02957	2.4
83.01385	0.9
85.02948	2.4
89.02473	2.7
95.01433	0.6
99.00858	0.8
100.40047	0.4
101.02434	6.1
113.02438	3.8
119.03477	1.1
159.02995	1.1
161.04547	9.2
237.18573	1.1
253.09767	0.5
256.95264	0.5
270.34006	0.5
399.23834	14.4
400.24310	0.9
459.26401	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	459.2596
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
56.32155	0.4
59.01378	100.0
59.16654	0.4
60.01708	0.5
61.98823	0.8
67.63894	0.4
67.95033	0.4
70.50739	0.5
71.01375	6.9
71.07792	0.4
73.02964	2.9
74.06197	0.4
74.24721	0.4
78.62045	0.4
83.01397	0.8
85.02952	3.1
89.02449	1.9
91.39780	0.5
95.01378	0.8
99.00904	0.8
101.02434	5.7
101.03012	0.6
113.02431	2.6
119.03528	0.6
159.03033	0.8
161.04543	6.1
161.05637	0.5
205.12325	0.6
223.13396	4.2
253.09428	0.6
302.32419	0.5
399.23837	16.2
400.24399	1.1
459.20746	0.5
459.26990	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	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.34406	0.4
59.01379	100.0
60.01709	0.5
61.98830	3.7
69.03474	0.6
69.40447	1.7
71.01380	11.8
73.02950	11.4
77.58183	0.4
83.01384	2.9
85.02947	3.9
87.00911	0.4
89.02444	4.6
95.01398	0.7
97.02972	0.4
98.21935	0.6
99.00895	1.0
101.02446	9.9
101.03093	0.6
113.02458	7.0
117.97672	0.4
119.03532	1.4
125.02473	1.0
131.03572	0.4
136.78069	0.4
143.03525	1.3
149.04619	0.5
161.04564	5.0
179.05644	0.7
251.16631	0.4
276.30872	0.4
279.15945	0.6
315.25394	0.5
319.01685	0.4
397.70493	0.5
399.23959	7.8
400.24121	0.5
416.23935	0.7
417.24918	1.1
459.21536	4.4
459.30505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	0.6
61.98836	1.6
69.53925	1.4
71.01376	5.0
73.02953	1.4
83.43240	0.3
85.02966	1.5
89.02444	4.6
93.19373	0.3
98.22691	0.3
101.02455	4.3
105.15214	0.4
113.02448	2.9
119.03483	2.6
135.53069	0.4
142.44427	0.4
143.03606	0.5
151.97621	0.4
161.04546	3.0
179.05579	1.8
193.64406	0.4
249.78230	0.3
251.16541	0.8
399.23846	6.5
400.24216	0.4
459.18137	0.5
459.25952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2752
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
50.34890	1.5
59.01358	3.3
61.98823	5.8
63.67112	1.6
64.74863	1.8
71.43839	2.3
76.02778	1.8
109.02961	16.7
122.03757	2.1
124.01634	2.5
125.02441	2.9
137.02455	16.8
137.06059	3.2
138.03172	3.9
151.04027	11.7
157.68527	1.8
305.21292	2.0
361.23923	2.8
400.26389	1.9
401.23102	2.1
426.24329	2.9
433.67981	1.8
444.25113	28.8
445.25336	4.0
459.27502	100.0
460.27814	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	459.2751
Annotation	Spongianolide A
Peak:m/z	Relative Intensity
55.80631	0.5
69.21518	3.7
69.61420	0.6
72.26878	0.6
93.03412	1.0
98.22675	1.5
115.92044	0.8
116.92809	2.0
119.05040	0.6
123.00880	6.2
127.60890	0.6
134.03699	0.9
147.00867	5.6
147.04495	5.5
148.05229	1.3
149.02408	1.5
161.02432	3.5
162.03264	2.9
166.33929	0.6
168.59311	0.6
168.72606	0.7
175.03990	11.0
175.07707	0.6
176.04671	0.7
189.01866	1.5
189.05508	2.5
189.16335	1.6
191.14401	4.9
193.15939	0.7
203.07080	1.6
237.14940	0.8
249.14873	2.1
260.14255	0.7
274.15674	1.7
287.16437	0.9
289.18051	5.1
302.18753	2.5
316.16760	8.0
340.62704	0.6
344.16342	0.8
370.98514	0.7
371.29492	5.9
387.29031	100.0
388.29413	6.8
415.28558	68.3
416.28885	5.1
440.35028	0.7
459.27545	33.0
460.27890	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	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
107.05028	28.7
116.92812	3.2
122.77740	2.4
128.06709	2.7
163.11276	100.0
185.36856	2.2
194.36131	2.1
283.17041	19.5
293.41278	2.4
295.17078	12.3
335.94208	2.3
459.28989	94.0
460.29230	6.8
473.15854	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	459.348
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
58.40108	0.5
62.56507	0.6
63.34105	0.6
66.98148	0.6
69.43941	2.7
70.22778	0.6
90.34231	0.6
99.11441	0.6
104.17453	0.7
116.92817	0.9
129.77322	0.7
135.08171	4.7
135.09790	0.6
149.06148	0.6
150.06866	2.6
163.07648	100.0
164.07999	2.6
174.57069	0.5
176.08443	1.2
239.02808	0.6
249.00533	0.5
374.24445	0.7
444.32492	1.3
459.34787	30.8
460.35101	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	459.348
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
53.80266	0.7
57.03459	1.1
61.75355	0.6
61.98818	2.2
69.83216	1.6
69.83571	1.2
118.40479	0.8
160.84328	0.7
273.03909	0.7
306.70435	0.6
342.23212	0.7
383.29425	2.2
395.32849	2.1
397.30893	1.5
399.32532	3.9
415.35754	9.8
416.36014	1.0
420.31842	0.7
441.33572	2.6
459.27695	3.6
459.34753	100.0
460.35162	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	460.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.4
60.01719	0.5
61.53951	0.5
61.98827	100.0
63.84438	0.5
69.20536	0.8
69.20937	1.7
71.01376	1.9
73.02940	0.6
85.02940	0.8
89.02450	1.9
100.63722	0.5
101.02460	1.5
109.02964	0.6
125.02449	2.0
128.03467	0.5
128.24348	0.5
137.02475	0.7
153.01990	0.6
161.02362	0.6
165.09229	1.9
166.09642	1.7
204.61670	0.6
327.14505	0.8
328.14911	2.9
342.71164	0.5
417.24744	0.5
425.64883	0.5
460.13055	0.6
460.19189	2.3
461.24097	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	460.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82978	0.3
59.01376	7.1
60.01723	0.6
61.98827	100.0
62.79949	0.3
62.95066	0.3
63.77410	0.3
66.49328	0.3
70.51801	0.6
71.01382	0.4
84.14485	0.3
101.02489	0.5
101.07463	0.3
145.45343	0.3
161.04561	0.6
219.65979	0.3
315.50540	0.3
400.24133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98827	32.9
65.97487	4.4
67.66635	5.6
69.11513	35.8
71.01376	57.9
73.02928	19.0
83.01404	7.9
85.02938	20.7
85.97281	5.3
87.00885	6.6
89.02424	44.4
101.02425	52.2
113.02448	27.7
113.32396	4.8
115.19183	6.8
119.03487	21.5
124.01679	8.1
141.48093	5.6
147.56850	4.9
161.04527	35.1
179.05565	17.9
199.99088	5.9
207.10222	16.7
219.65030	5.6
225.11278	12.8
252.13225	6.1
255.12154	6.0
255.19612	7.4
280.12689	7.6
301.14450	15.8
375.03970	5.9
400.24075	9.0
417.24966	99.6
418.25092	9.0
461.21750	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67849	2.3
53.21557	2.9
57.03425	4.3
59.01381	47.5
61.98833	15.4
68.73103	3.1
69.31563	13.4
71.01383	26.2
73.02968	14.1
83.01390	8.8
85.02965	8.1
89.02426	8.4
101.02461	24.7
113.02445	11.5
121.17094	3.0
125.02461	10.6
152.99240	3.2
161.02417	4.7
161.04518	13.4
164.43748	3.0
197.58974	2.8
199.70290	3.1
203.86121	2.8
207.10347	15.5
225.11246	8.5
242.02144	5.0
243.03009	25.1
255.03061	3.7
255.16167	3.4
262.35709	3.1
270.01663	4.3
271.02539	29.3
285.04092	16.1
299.01862	8.7
305.67200	2.8
314.04346	29.7
315.05231	17.5
414.61249	3.1
417.24957	100.0
418.25345	6.2
459.69034	3.0
460.17682	5.0
460.24878	8.7
461.10913	64.6
461.19482	5.8
461.24899	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	460.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98820	31.3
66.41924	5.0
68.57204	6.2
70.05386	5.6
71.01377	45.0
73.02937	12.6
79.95724	7.9
85.02964	6.8
89.02456	51.1
96.96014	8.7
99.00852	10.6
101.02452	33.5
107.01385	5.8
113.02456	13.7
119.03558	6.2
121.02938	10.4
125.02450	16.5
149.04555	25.0
151.03976	12.5
152.04373	6.3
161.04488	8.0
169.01401	6.3
179.03629	6.5
193.01337	9.1
194.43048	5.6
207.03035	7.9
221.00952	13.1
225.11230	16.5
281.10510	6.4
281.13766	8.0
304.69666	5.9
388.83340	6.2
415.16022	21.0
415.22821	7.6
417.16928	7.9
417.25092	9.1
460.21643	6.8
461.07245	83.2
461.20267	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	461.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.9
59.01371	3.4
61.98827	9.5
66.45744	0.9
69.47745	2.6
71.01365	2.4
73.02930	1.1
81.03474	1.5
83.01389	2.5
87.00908	0.8
88.28848	0.7
89.02436	1.2
93.03471	1.1
95.04991	1.1
97.02945	3.3
101.02430	1.3
105.83971	0.7
108.02157	2.2
109.02947	61.3
110.03251	1.8
113.02429	1.2
121.02920	1.6
123.00882	1.3
123.04514	5.3
125.02446	39.3
126.02742	1.1
135.04517	0.9
137.02443	11.4
139.04015	2.1
142.44429	0.7
145.02937	5.7
146.03676	2.5
147.04462	1.2
149.02419	5.3
150.03117	0.9
151.04036	4.0
151.05099	0.7
153.01932	100.0
154.02280	2.3
159.04524	3.9
161.02440	4.4
161.04628	0.9
161.06067	3.5
162.03232	0.8
165.01965	3.9
175.04002	2.3
175.07475	0.8
177.01950	1.8
179.03479	3.4
185.06126	2.3
187.04001	3.0
188.04727	2.1
189.05621	4.2
191.03485	3.5
192.70938	0.7
201.05501	1.4
203.03851	0.7
203.07172	7.1
205.05014	3.1
207.06601	1.3
213.05507	1.1
227.07137	2.3
231.02960	1.0
237.14980	1.8
238.15311	2.4
245.08185	8.9
253.05067	3.2
255.08745	1.5
257.04538	1.0
271.06113	23.2
272.06461	2.1
275.05627	11.1
283.02335	4.1
284.03262	1.4
287.05597	2.9
289.07166	46.1
290.07550	2.6
299.05545	3.7
415.23087	1.6
425.08749	36.2
426.09048	2.9
461.10965	3.4
461.23953	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	461.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16730	0.4
57.03447	11.0
59.01380	8.6
60.01712	0.4
60.33661	0.4
61.98828	23.3
67.20753	0.3
70.89172	0.7
71.01382	5.7
72.99313	0.6
73.02949	1.4
75.00884	0.5
77.53140	0.4
81.03450	1.4
83.01392	3.1
85.02951	1.8
87.00863	0.5
89.02446	3.7
93.03468	7.6
93.04029	0.8
95.01392	0.5
95.05016	1.3
97.02952	0.6
101.02448	3.3
105.03451	3.3
109.02977	1.1
111.04512	0.5
113.02460	1.3
119.03519	1.2
121.02930	0.8
123.00870	0.7
123.04591	0.5
124.01653	0.5
125.02452	100.0
126.02792	1.6
126.72018	0.4
133.03001	0.6
135.04454	0.5
135.88618	0.4
137.02454	22.3
139.04008	1.4
149.02489	0.5
149.04553	0.9
151.04047	0.5
161.02449	38.0
161.04601	1.5
162.02910	0.9
165.01932	2.9
167.03535	1.8
173.06052	0.5
174.59615	0.4
175.04034	1.0
177.05598	3.1
178.06349	1.6
179.03508	1.7
179.05623	0.6
182.02206	0.6
193.05022	0.8
193.08662	0.9
197.04517	2.9
201.05656	1.6
210.05417	0.5
212.06912	1.5
219.06607	2.1
221.04568	1.0
225.05557	0.5
227.03519	0.9
229.01291	0.4
237.07745	1.6
243.06599	0.7
244.05949	0.5
259.06140	1.0
261.07526	0.4
269.04489	2.4
287.05597	24.4
288.06015	1.0
288.13165	0.5
293.08533	0.4
299.05707	0.8
299.08624	0.6
299.11389	5.3
305.06671	10.9
306.07062	0.6
315.01404	0.6
329.15973	0.8
352.80038	0.5
385.15030	1.3
399.13107	1.8
401.17657	0.5
415.23199	0.5
425.08926	1.3
425.20200	1.7
461.07166	0.7
461.20657	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	461.0728
Annotation	SR 141716
Peak:m/z	Relative Intensity
51.03971	0.8
57.03439	3.8
59.01378	28.0
61.98832	12.4
63.02378	3.4
65.00315	4.1
69.03478	1.0
69.15968	0.9
69.21408	4.9
69.45837	0.8
71.01379	6.8
72.27783	0.9
73.02935	2.7
75.00867	2.5
81.03458	1.0
82.71860	0.8
83.01393	5.5
85.02943	2.2
89.02436	4.8
93.03453	3.2
95.01382	1.0
96.96004	1.1
97.02933	2.3
99.00868	1.7
99.63586	0.9
101.02428	4.9
105.03437	2.0
107.01383	10.1
109.02949	3.8
109.06586	3.7
113.02451	2.4
119.03531	1.1
121.02943	6.0
125.02441	21.7
131.01343	0.9
133.02940	2.6
135.08195	1.0
137.02429	4.2
142.50308	0.9
145.02982	2.1
147.00839	1.9
149.02451	7.2
151.00375	38.9
151.03989	2.4
153.01918	3.1
159.04520	1.2
161.02425	10.6
161.04527	1.5
163.00331	1.0
163.04118	1.2
163.11267	2.6
165.01884	1.1
169.01389	3.4
173.08162	2.1
175.00343	5.4
175.04010	1.1
177.01923	36.2
178.02641	3.2
178.99857	38.2
179.03383	2.4
181.12280	1.5
183.04430	1.5
185.02356	1.0
189.01898	2.1
191.03406	1.7
193.01387	2.1
201.05649	1.2
202.99867	4.0
203.03452	1.5
205.01430	15.9
206.02126	0.9
207.02966	1.3
207.10251	18.1
211.03891	1.7
219.02988	2.2
225.11317	19.1
227.03438	3.6
230.99321	3.5
231.02899	1.7
243.02982	3.3
245.04518	1.7
253.09175	3.2
255.02890	4.3
257.04614	2.0
257.11774	1.9
259.02402	1.8
263.12921	1.6
267.02954	2.9
269.04492	2.7
271.02484	2.3
273.03925	2.0
283.02466	5.3
285.04083	2.6
287.02060	1.6
287.05502	2.5
289.07166	1.5
295.02441	3.1
299.02036	1.7
299.14850	2.6
301.03580	3.4
311.02112	6.1
312.02576	1.6
313.03397	6.0
314.00635	2.2
315.01367	3.9
316.01819	1.0
317.02863	1.3
327.01373	5.0
329.03030	10.3
339.01517	2.4
357.02502	77.5
358.02878	2.6
365.20279	0.9
387.03189	1.8
389.04996	4.7
425.09009	1.3
461.07230	100.0
461.19449	6.4
461.24078	9.4
462.07611	7.9
476.05328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24008	0.2
53.51225	0.2
55.01873	0.4
59.01365	0.6
61.98812	0.3
69.12045	1.2
87.89917	0.2
91.01886	0.3
91.05520	1.3
93.03457	0.3
103.05532	8.1
116.59826	0.3
119.05025	1.0
122.03715	0.4
123.04515	1.3
135.04512	2.0
137.02467	0.8
137.06113	1.5
137.70161	0.3
147.04521	11.1
148.01596	0.5
148.04861	0.3
149.06105	0.3
160.05272	0.3
161.06068	0.5
162.03235	3.4
163.03995	4.4
165.05518	0.3
167.02235	0.2
167.03520	1.3
175.04030	0.2
176.01158	0.3
181.05104	0.5
189.01926	0.2
189.05554	0.4
190.02675	0.3
191.03493	100.0
192.03835	2.9
193.05003	0.5
209.04520	2.2
221.04605	0.3
233.04573	1.5
293.06647	0.4
461.10934	4.6
462.11044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03415	0.7
59.01377	60.7
60.01698	2.2
61.01813	0.7
61.98827	14.8
69.03429	0.6
69.23596	2.6
71.01379	17.3
72.01749	0.5
72.99310	1.3
73.02946	7.9
75.00867	0.6
83.01389	3.4
84.95119	1.4
85.02946	7.9
86.03270	0.6
87.00866	2.0
89.02441	6.6
93.03452	12.3
95.01382	1.5
97.02969	1.4
99.00870	2.1
101.02444	12.8
102.02759	0.9
103.04012	1.0
106.04244	0.6
109.02956	1.1
109.06599	0.7
113.02451	7.2
119.03504	2.3
121.02954	1.4
123.00912	0.9
124.01669	1.0
125.02453	2.5
131.03488	0.7
133.02916	1.5
136.01642	2.1
137.02440	45.2
138.03145	2.5
139.00481	0.5
143.03500	1.2
145.02939	0.9
147.04439	0.9
149.02435	1.5
149.99547	0.7
150.03212	1.0
151.04019	2.3
159.03027	1.1
160.01691	0.7
161.02472	8.3
161.04533	9.0
162.03233	6.5
163.00342	1.3
163.06114	2.5
164.01181	7.0
165.01785	1.0
165.05531	0.8
166.02696	1.5
167.03470	0.6
173.02400	0.8
175.00377	0.7
176.01175	1.3
177.01918	4.9
178.02715	1.6
178.99889	3.8
179.03506	3.3
179.05614	0.7
189.01891	2.7
190.02701	7.5
190.99884	9.5
191.03499	8.9
192.00648	100.0
193.01408	43.7
194.02194	22.6
195.02763	0.9
203.03500	0.9
204.54962	0.6
205.01396	10.5
205.07150	0.7
206.02200	21.7
207.02983	40.9
207.10262	2.5
208.03421	1.5
209.04465	2.9
221.01271	4.5
221.04546	30.0
222.01643	6.7
222.04822	0.9
225.11304	2.7
233.00880	1.9
234.01691	34.3
235.02211	1.8
237.04054	4.7
239.16548	0.7
249.04027	18.8
250.04330	1.0
251.05605	0.8
251.16499	0.6
253.09436	0.6
259.02713	0.5
263.05521	3.4
263.12875	1.0
269.06705	1.0
271.02347	1.0
276.02722	1.4
287.01938	0.9
291.05139	0.6
294.03909	2.3
309.06171	5.0
315.01459	2.6
315.18188	4.8
375.20435	1.1
400.24127	0.7
401.25369	2.0
417.20624	3.1
418.25262	2.4
419.26282	1.6
431.23099	1.0
446.08490	10.9
460.22696	0.7
461.11005	13.8
461.24094	12.7
462.10919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Tamarixetin 3-rhamnoside
Peak:m/z	Relative Intensity
51.39552	0.3
58.54314	0.3
58.90751	0.4
59.01384	2.8
61.98822	0.7
65.00338	0.5
67.56279	0.4
69.26357	1.4
71.01388	0.7
81.18581	0.3
83.01388	0.3
83.31862	0.3
85.02926	0.4
89.02431	0.4
93.64120	0.4
107.01395	0.9
109.40298	0.3
123.00742	0.3
151.00406	2.5
164.01122	0.4
171.04480	0.7
183.04498	0.5
197.02257	0.4
197.90324	0.4
199.03966	2.7
201.01913	0.9
203.03500	0.4
215.03569	1.5
226.02745	0.6
227.03487	3.8
242.02217	0.8
243.02977	6.2
255.02992	3.3
270.01837	0.5
271.02475	60.6
272.02850	2.7
283.02652	0.4
285.03961	1.8
299.01953	100.0
300.02673	23.8
301.03061	1.0
314.04315	22.2
315.05066	19.9
316.05411	1.0
357.06451	0.5
397.85876	0.3
413.17325	0.4
417.25015	0.5
433.11328	0.4
446.08636	0.5
461.10889	82.9
462.11169	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
59.01377	58.8
60.01709	1.4
61.01809	1.2
61.98828	10.2
69.08356	4.4
69.08781	3.7
71.01383	13.2
72.99308	23.2
73.02940	6.0
75.00871	1.5
83.01390	3.7
83.05029	1.5
85.02960	7.0
87.00876	20.9
89.02441	5.3
90.05392	1.0
95.01385	2.4
97.02967	2.8
99.00861	3.0
101.02443	11.3
109.06586	13.3
110.03782	1.4
113.02446	5.7
119.03545	1.5
124.01598	1.3
125.02450	4.2
135.08197	1.5
137.02429	1.7
146.07011	1.2
151.00388	3.2
159.02888	1.1
161.04643	1.2
163.11299	6.8
175.03893	1.3
179.05630	1.1
181.12349	1.9
199.04007	3.3
203.03569	1.1
204.03897	1.1
207.10255	29.8
215.03421	1.5
225.11316	25.9
227.03461	3.5
230.76729	1.1
243.02919	6.0
253.09273	5.1
253.18172	1.6
255.03020	4.4
263.16553	2.7
271.02469	55.6
272.02820	3.0
281.17682	3.0
285.03998	2.1
287.01920	2.7
299.01956	89.2
299.14807	1.7
300.02689	22.9
301.03030	1.4
314.04300	21.2
315.01471	4.4
315.05057	16.5
327.07178	1.5
401.21841	1.5
415.23492	2.6
443.17056	1.9
443.22827	25.4
461.10919	78.1
461.24326	100.0
462.11194	4.6
462.24234	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1298
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
59.01380	15.2
59.31883	0.5
63.14572	0.6
69.03455	1.0
69.74709	0.8
69.75061	1.6
71.01382	5.3
73.02943	10.9
75.00869	0.6
81.03469	1.7
85.02959	3.3
87.00861	4.2
87.04510	2.1
89.02438	3.2
91.01882	1.6
96.95964	0.6
97.02977	0.7
101.02445	5.1
103.04012	2.0
107.01400	0.7
108.02165	3.2
109.02949	45.5
109.24892	0.5
110.03293	1.0
111.00851	0.8
115.04000	3.9
119.03479	1.2
123.04535	0.9
124.01658	1.3
125.02424	3.0
125.12042	0.6
126.89950	0.5
131.03494	4.6
135.00856	1.0
137.02467	2.5
139.03999	1.3
143.03487	3.5
145.05099	1.0
149.02472	0.9
152.01155	4.7
153.01933	100.0
154.02315	2.4
163.04008	1.0
163.06155	1.6
165.01921	0.9
167.03462	4.1
168.00571	1.3
175.51082	0.6
177.01930	1.2
183.02939	1.9
195.02980	12.7
195.04645	1.1
196.03296	0.6
205.07196	2.4
297.00592	0.6
341.08795	1.1
345.08255	1.3
400.99615	1.8
401.11148	1.7
461.13010	74.9
462.13379	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	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
57.03443	6.9
58.00595	2.1
59.01376	100.0
59.52899	1.8
61.98844	2.9
64.92068	2.0
70.45469	4.6
71.01378	82.1
72.99316	4.6
73.02940	17.5
83.01382	8.6
85.02938	26.0
86.00051	3.6
86.08019	2.0
87.00881	16.2
88.98812	5.4
89.02442	68.6
93.03448	4.1
95.01384	3.9
96.95982	2.4
97.01667	2.1
99.00876	6.7
101.02439	57.1
113.02444	39.8
119.03486	28.0
123.04510	2.4
125.02457	11.9
129.01979	2.8
131.03487	25.6
134.84874	1.9
137.02446	9.3
137.06093	2.3
143.03517	10.9
150.03194	3.4
159.02942	3.3
161.04558	37.4
163.07629	5.3
165.05586	5.9
169.01369	5.1
179.05612	65.3
193.04973	2.1
207.06596	3.6
221.06647	84.7
221.11755	5.8
223.25330	2.0
225.07668	11.2
239.12880	4.5
263.03122	3.2
263.07697	35.4
267.68686	2.1
277.52930	2.1
281.03363	5.0
298.99939	3.1
299.11392	10.0
341.11026	2.2
387.12875	8.9
425.07935	7.7
432.93613	2.2
443.14594	7.5
461.04718	2.2
461.16440	61.5
462.17365	4.4
487.07315	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.5
57.03439	7.9
59.01376	80.4
61.98827	1.6
69.27744	5.9
71.01378	100.0
72.99309	3.9
73.02555	2.4
73.02945	35.9
75.00865	28.2
81.03458	1.6
83.01381	19.1
85.02946	51.4
85.03461	2.7
87.00869	5.8
89.02439	21.9
95.01373	8.1
97.02936	2.3
97.93902	1.3
98.22541	2.2
99.00876	14.2
100.76114	1.1
101.02442	84.6
102.02794	1.8
108.02190	2.2
109.02977	3.3
111.00893	1.6
113.02441	46.3
119.03500	9.4
121.72741	1.1
123.00898	3.1
124.01653	3.1
125.02453	15.6
127.02899	1.4
129.01921	2.8
131.03477	2.0
137.02473	1.3
138.03235	1.8
139.04012	3.9
143.03487	8.5
153.01952	4.4
159.02965	8.3
161.04547	45.0
167.03496	16.1
169.01434	1.7
170.01813	1.1
171.01888	1.8
179.05702	2.1
179.07191	1.2
193.05121	1.6
221.06793	2.7
227.78453	1.2
269.10364	4.9
283.08362	3.3
297.06207	2.2
299.11325	45.3
300.11844	2.1
313.00256	1.2
343.66019	1.5
401.14566	2.7
415.16165	7.2
415.23401	10.7
423.09335	7.3
461.16748	67.2
461.23572	3.8
462.17148	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03424	0.8
59.01375	43.9
61.98817	1.6
69.72713	0.4
71.01378	8.2
73.02940	5.8
75.00842	0.5
75.47360	0.5
83.01375	1.4
84.31009	0.5
85.02936	3.2
88.98796	2.5
89.02442	2.4
99.00865	1.4
101.02438	5.9
109.02899	0.6
109.83677	0.5
111.00870	0.5
113.02457	3.5
121.02856	0.5
125.02425	3.4
131.03539	0.7
136.05298	2.7
137.02370	1.0
137.06081	0.6
139.04008	0.6
146.24193	0.5
148.91032	0.6
149.04533	0.7
149.06059	0.4
151.04042	0.5
151.07654	4.5
161.02426	0.5
161.04536	5.5
163.07640	2.4
164.08424	1.1
165.01955	0.6
167.03496	0.5
175.07655	0.9
179.10756	1.4
193.08702	1.0
221.11841	1.7
227.03479	0.7
237.11333	1.4
239.12871	100.0
240.13144	3.5
243.02925	1.1
249.06091	0.5
249.72606	0.6
255.03107	0.8
267.08826	0.8
271.02426	3.8
272.03122	0.6
299.05655	1.0
299.14429	0.6
314.04190	1.7
315.01511	1.1
315.05066	1.5
329.16040	3.1
415.23285	2.6
461.10934	2.1
461.19363	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03432	1.3
59.01379	45.9
60.01701	0.9
60.99309	1.0
61.98821	3.3
66.42697	0.6
69.14732	2.2
69.15142	2.3
71.01380	12.8
73.02950	10.7
75.00887	1.0
81.03427	0.9
83.01377	1.7
83.05058	0.7
85.02942	5.3
86.00060	0.7
87.00906	0.9
88.98810	11.3
89.02457	6.5
99.00903	2.3
101.02444	10.0
109.02926	0.8
111.50661	0.7
113.02450	6.5
119.03458	0.9
124.01662	1.8
125.02467	6.1
136.05280	2.3
137.02414	1.4
138.13112	1.0
139.04042	1.2
148.90985	1.6
149.04593	1.1
151.04066	1.4
151.07578	3.5
159.02985	1.2
161.04582	8.7
163.07646	3.0
166.02588	0.8
167.03487	0.9
177.02022	1.6
179.03569	0.8
179.10863	0.8
221.11926	0.9
233.06604	1.2
235.13351	1.2
236.13658	0.9
237.11311	4.6
237.13704	1.4
238.11630	2.6
239.12892	100.0
240.13187	4.1
250.94043	1.1
266.02515	0.7
267.08594	1.1
271.02539	2.9
285.03989	1.4
297.13419	1.0
298.13922	1.5
299.14063	2.4
314.04379	1.4
315.01630	2.5
329.15973	5.7
370.13293	0.8
391.75256	0.9
415.23138	3.5
443.22958	1.0
461.11008	2.7
461.19629	22.0
462.20657	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	461.2181
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
51.17782	0.3
55.15536	0.3
59.01361	1.1
65.00301	0.4
71.01360	0.5
78.95898	1.2
83.05037	0.4
84.37383	0.3
93.03473	0.5
97.02946	0.4
105.03468	0.5
109.02956	2.5
109.06599	2.2
121.02946	0.8
123.00829	0.7
123.04532	4.5
124.01676	3.7
125.02443	2.4
131.05017	0.6
135.04568	0.4
137.02448	7.1
138.03209	2.2
147.04451	0.6
147.34160	0.5
149.02426	5.1
150.03232	5.3
150.90875	0.4
151.04002	28.3
152.01141	0.6
152.04817	3.2
152.99573	1.4
159.04401	0.5
161.02405	1.7
162.03169	0.6
163.03987	1.0
163.11278	1.2
164.04755	1.8
165.01880	1.3
166.02705	4.3
168.00624	0.8
174.03189	0.8
175.03987	5.7
176.04840	2.1
177.05562	0.8
179.03500	4.7
189.05447	1.0
192.00594	0.8
193.01405	52.7
194.02141	2.5
194.99268	0.7
201.05565	2.7
203.07071	2.7
205.01324	2.1
206.02075	0.4
207.10258	5.1
209.00902	4.2
215.07196	0.7
217.08704	0.6
219.02959	2.7
225.11292	3.3
227.07121	0.5
229.08705	0.8
230.09485	0.4
231.10388	0.4
243.10210	1.3
245.11812	11.0
246.12131	0.4
253.09283	0.9
260.14130	0.8
261.64578	0.5
271.09821	0.5
289.10840	4.2
304.13181	1.1
348.12280	0.4
366.13220	1.5
381.20782	1.0
399.21594	1.3
417.22815	1.3
443.20969	1.2
461.21768	100.0
462.22101	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2179
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
50.57868	0.8
59.01374	9.0
61.98834	8.6
69.79902	0.9
69.80244	2.8
71.01381	1.4
81.13296	0.8
89.02481	0.8
101.02422	1.3
109.02947	3.6
109.06573	2.1
121.02959	1.3
124.01649	2.6
125.02457	1.9
136.01682	0.9
137.02440	3.3
138.03264	1.1
147.04518	1.8
149.02443	2.5
151.04062	0.9
151.95174	1.2
159.04480	1.5
163.11340	1.8
175.03995	12.2
175.05441	1.2
176.04704	2.6
177.05588	8.4
178.99864	1.8
181.12453	1.1
187.04118	1.2
189.05602	1.4
191.03485	1.7
193.01434	1.8
194.99326	1.0
200.04778	1.4
201.05565	9.5
203.06940	1.1
204.07823	1.9
205.01416	3.4
205.04961	4.7
206.02069	1.0
207.10338	7.3
214.06390	1.1
215.07111	1.7
219.02983	9.3
225.11238	5.2
227.07335	0.9
227.10841	0.9
229.08664	1.2
233.04526	1.0
243.10422	1.9
245.11835	6.7
249.04016	1.0
253.09370	2.0
287.01923	1.0
315.01428	3.0
381.20721	1.3
392.14584	1.3
399.21765	2.0
417.22937	1.8
443.20612	2.9
461.21768	100.0
462.22104	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	461.2181
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
50.10540	0.5
59.01377	2.9
60.05338	0.5
61.98826	1.3
68.99816	0.6
82.19651	0.5
97.02949	0.9
101.02461	0.7
109.02956	2.4
109.06555	2.1
113.02488	0.7
121.02947	0.8
123.04533	4.3
124.01662	3.1
125.02434	1.2
135.04512	0.7
137.02431	4.1
138.03204	1.6
149.02449	4.8
150.03207	5.7
150.87831	0.5
151.04002	24.7
152.04826	2.8
157.04218	0.6
159.04459	0.6
159.08070	0.5
161.02362	1.1
162.03230	0.9
163.03978	1.3
163.11298	1.7
164.04805	2.7
165.01863	0.8
165.39534	0.5
166.02673	3.8
168.00638	1.0
174.03136	0.6
175.04036	5.6
176.04803	1.3
177.05580	0.9
179.03510	2.8
189.05611	1.0
193.01419	44.8
194.02042	1.7
201.05560	2.0
203.07147	1.9
205.01469	1.0
206.03963	0.6
207.03047	0.7
207.10260	7.8
209.00897	4.7
212.26357	0.6
215.07021	0.6
219.03001	2.1
225.11302	5.2
227.07335	0.8
230.09383	0.7
243.10298	0.8
245.11794	9.7
246.12003	0.6
253.09344	1.5
271.09769	0.9
289.10849	3.4
304.13132	1.1
315.01492	1.4
328.37033	0.6
348.11700	0.8
366.13016	1.5
381.20621	1.7
399.21661	1.4
417.22610	2.3
443.20752	1.3
448.45410	0.6
461.21759	100.0
462.22144	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2178
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
59.01366	2.4
70.45528	1.5
70.99593	0.7
71.01359	1.2
86.45686	0.6
91.93864	0.7
97.02979	1.1
101.02466	0.8
109.02943	3.3
109.06586	3.5
109.67921	0.7
109.99914	0.7
123.04544	1.9
124.01682	2.4
125.02445	1.9
137.02419	6.0
138.03229	1.5
149.02385	3.8
150.03241	4.7
151.04015	19.6
152.01282	0.8
152.04733	2.1
152.99588	1.7
161.02449	1.6
163.04025	1.7
163.11273	1.5
165.01921	1.3
166.02681	2.8
168.00562	0.8
175.04004	5.2
176.04782	2.6
179.03519	3.2
180.00693	0.7
189.05615	0.9
192.00633	2.0
192.18237	0.8
193.01413	39.3
194.02046	1.0
201.05560	2.4
203.07133	3.0
205.01472	1.3
207.10278	8.0
209.00934	2.0
215.07150	0.7
219.02946	1.8
225.11382	5.3
229.08444	0.8
245.11833	7.9
253.09180	1.6
256.00290	0.8
280.15442	0.7
289.10699	4.2
301.14511	1.9
304.13144	1.1
315.01440	1.0
366.12909	1.2
381.20767	1.5
397.54382	0.9
399.22150	1.2
417.22760	2.0
443.20508	1.8
461.21756	100.0
462.22037	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	461.2394
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
55.01877	0.9
56.14998	0.3
57.03430	1.0
59.01379	27.3
61.98831	1.7
65.74843	0.3
69.20872	1.4
71.01382	6.5
72.99309	23.1
73.02941	3.4
74.82610	0.3
75.00877	0.6
83.01388	2.2
85.02965	4.0
86.00084	0.4
87.00879	18.2
89.02449	1.5
95.01379	0.8
96.96070	0.3
97.02950	0.5
97.06615	0.4
98.21864	0.6
99.00886	1.1
101.02454	7.5
109.06556	0.7
111.00884	0.6
113.02448	3.4
113.06068	0.4
119.03500	0.5
123.00871	0.7
124.01685	1.1
125.02460	1.6
131.03607	0.4
135.08162	0.3
137.02348	0.3
138.03307	0.3
153.09242	0.6
161.02440	0.3
161.04576	0.7
175.02507	0.4
181.12471	0.3
192.00720	0.5
207.10213	1.5
225.11340	2.1
227.12869	0.8
229.18059	0.5
239.16557	0.8
243.19727	0.6
249.13824	0.3
253.18143	0.7
271.02472	1.0
281.17484	1.9
299.02057	1.0
299.18787	0.4
300.02679	0.4
314.04379	0.4
315.01486	1.1
315.04898	0.5
323.18738	0.4
329.15942	0.9
401.21207	0.3
401.25540	2.0
415.23386	1.3
419.21838	0.7
419.26636	0.9
443.22845	26.1
444.23221	1.9
445.10468	0.3
461.23972	100.0
462.24332	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	461.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52040	1.0
57.03449	1.1
59.01373	2.1
61.98840	2.0
69.16656	6.2
71.01376	1.4
73.89890	1.0
79.95723	1.2
81.03444	2.6
88.36096	1.0
90.93287	1.0
95.05048	1.1
96.99327	1.8
97.02945	5.0
98.21795	1.1
108.02171	1.4
111.00912	3.6
112.98814	1.0
121.02957	1.4
122.03739	27.9
125.02434	3.3
129.01962	4.6
135.04527	9.2
136.05327	4.7
149.06047	2.5
155.26047	1.1
163.07631	2.0
164.83607	2.5
172.05296	1.3
174.03220	6.1
177.09206	2.0
191.10770	1.4
271.43991	1.3
273.46521	1.0
287.20193	3.3
297.21701	1.0
299.23801	2.2
313.22107	1.3
313.25424	4.2
315.23163	5.3
329.21176	1.6
329.24670	1.5
331.22839	1.3
339.23178	1.8
341.21262	1.6
341.24808	45.4
342.25281	3.3
343.22684	7.4
343.26321	2.4
345.24271	15.1
345.28055	4.9
346.24677	1.5
347.25861	3.5
349.23593	3.1
355.26401	1.7
357.24335	15.0
361.27527	14.5
367.22760	15.2
373.27466	18.9
375.25470	3.2
376.29834	1.0
383.22272	1.5
385.23813	100.0
386.24283	8.4
387.25244	4.4
389.27081	6.6
399.25287	7.3
402.24213	2.9
417.26453	18.2
425.24826	1.2
433.18842	1.7
443.24106	2.1
461.25516	21.0
461.36334	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
62.84429	0.8
66.53064	0.8
76.91911	0.9
111.71370	0.8
176.80502	0.9
255.92336	1.0
335.22256	3.8
389.29443	1.1
417.29074	2.3
425.11682	6.0
446.26410	0.9
461.28693	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74881	0.7
57.80348	0.6
59.01382	2.5
61.98828	100.0
63.96223	1.0
71.01385	1.6
71.45406	0.9
76.24764	0.7
87.53738	0.6
96.96033	1.6
101.02463	1.0
104.17083	0.7
113.02486	0.7
117.97299	5.1
125.02459	5.6
137.02441	1.0
138.01941	0.9
151.03868	0.7
167.03551	2.2
169.01428	1.9
177.01984	2.2
204.56696	0.8
299.04120	1.0
343.12094	0.7
440.25723	0.7
463.21960	0.9
484.62646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44563	0.2
54.79221	0.2
57.03455	0.3
59.01377	1.5
59.21150	0.2
61.98830	100.0
71.01382	1.6
73.02942	0.5
83.01412	0.4
85.02962	0.6
89.02448	0.7
91.41130	0.2
96.96027	0.7
98.22864	0.2
99.00986	0.3
101.02470	0.8
101.93064	0.2
105.12122	0.3
107.01414	0.3
113.02462	0.6
125.02436	2.4
126.02799	0.3
136.21304	0.2
142.52362	0.3
143.97772	0.3
150.04547	0.2
150.42461	0.2
151.00404	0.8
151.04002	0.3
161.02533	0.4
161.04628	0.4
166.02763	0.2
167.03531	0.7
168.00760	0.3
169.01456	1.0
177.01971	0.8
198.03629	0.8
213.05875	0.6
243.12271	0.3
297.13443	0.4
331.17749	0.7
341.05215	0.3
423.07123	0.3
463.15866	0.4
463.21939	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52453	0.3
52.11769	0.3
55.48719	0.3
56.60314	0.3
58.42767	0.3
59.01372	1.1
61.98830	100.0
69.97992	1.1
71.01384	1.2
73.02970	0.5
75.40102	0.3
85.02971	0.5
89.02464	0.8
101.02465	0.6
101.12249	0.4
102.05664	0.3
113.02497	0.4
123.04513	0.7
125.02440	1.4
138.03244	0.6
139.04018	0.9
151.03998	0.5
152.04848	0.9
157.70816	0.3
164.04845	1.4
167.03525	0.6
169.01476	0.8
169.21152	0.4
175.07669	0.9
177.01968	0.6
177.05576	0.5
182.16756	0.4
193.08684	10.8
212.64330	0.4
237.07680	9.0
243.02870	0.5
280.97940	0.3
289.82520	0.4
319.04758	0.4
399.12924	11.9
400.13300	0.7
463.22015	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	462.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44780	0.2
59.01381	1.0
61.98828	100.0
66.96462	0.2
68.03083	0.2
69.29883	0.7
69.30281	0.3
71.01389	0.7
73.02937	0.3
79.60879	0.2
83.01414	0.3
84.79582	0.2
85.02969	0.5
85.46915	0.2
89.02421	0.8
93.44094	0.2
98.21899	0.4
101.02464	0.5
109.02972	0.3
113.02489	0.2
120.01263	0.6
125.02421	1.0
137.02441	1.7
149.02516	0.2
151.00397	0.4
157.95490	0.2
161.04616	0.4
164.01149	0.3
165.02020	0.2
169.01448	0.4
178.06348	9.3
178.99913	0.5
192.00735	0.2
193.01418	1.3
193.08687	3.8
214.02731	0.3
222.05330	0.2
224.98795	0.2
237.07677	5.5
238.08073	0.2
242.02208	0.2
243.03166	0.3
255.03093	0.8
259.02475	0.3
270.01620	0.3
271.02487	3.6
287.01987	1.1
300.02795	2.4
300.05896	0.3
301.03497	1.4
315.90207	0.2
316.02213	4.9
317.02853	0.8
331.17624	0.5
399.12949	6.9
400.13553	0.4
462.19894	0.2
462.25232	0.3
463.08823	6.3
463.22104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01380	2.9
61.98829	19.5
63.25460	0.3
65.00303	0.6
65.03988	0.3
65.99856	0.3
66.01205	0.3
69.22984	1.5
69.23383	0.7
70.43497	0.4
71.01385	1.8
71.86149	0.3
73.02935	1.2
81.03470	0.7
83.01384	0.4
85.02948	0.8
85.39277	0.3
89.02436	0.7
93.03453	1.5
95.01421	0.5
97.02936	0.5
99.00867	0.4
101.02416	2.2
105.03461	0.6
107.01361	0.4
108.02198	2.7
109.02947	18.5
111.00894	0.8
113.02448	0.8
117.03461	0.4
121.02953	1.7
123.00905	0.8
123.04546	1.7
124.01656	2.3
125.02442	5.7
126.02785	1.0
133.02934	0.9
134.84389	0.3
135.04561	0.8
136.01682	1.7
137.02440	7.6
138.03238	7.9
139.04021	0.8
145.02979	0.6
148.01659	0.8
149.02419	2.8
149.06166	0.5
151.00343	1.2
151.03972	2.2
152.01147	3.2
153.01936	19.4
158.21332	0.3
161.02463	4.3
161.04568	1.2
162.03210	2.5
163.04002	0.9
164.01157	7.4
165.01952	4.2
166.02722	2.4
167.02223	2.1
167.03531	1.2
168.03017	100.0
169.01401	1.8
169.03336	2.2
173.02338	0.4
175.07674	0.4
177.01945	1.7
178.02739	1.0
178.99829	2.4
179.03482	0.8
180.00565	0.4
183.02982	0.4
189.01917	1.0
189.05499	0.4
190.02708	5.1
190.99826	0.4
191.03456	1.8
192.00641	62.0
193.01407	60.5
193.05045	0.5
194.02202	4.5
195.02972	8.9
203.03539	0.3
205.01419	3.0
206.02191	4.4
207.02982	18.5
208.00102	0.4
211.02402	0.4
214.02736	1.0
217.01390	0.3
220.00212	0.5
220.03654	0.4
221.00905	1.5
222.01689	2.2
223.02486	0.5
232.03635	0.5
233.00923	0.7
233.04565	0.9
233.99332	0.6
234.01689	12.7
235.02472	5.1
237.03999	1.1
242.02316	0.6
243.02881	0.5
245.00896	0.5
246.01706	1.0
249.04024	8.7
255.05096	4.7
259.02521	0.7
270.01587	0.7
271.02426	3.7
287.01987	2.2
287.04959	0.5
288.05914	0.5
294.03815	1.3
300.02673	0.6
305.06696	0.5
309.06097	3.4
312.04846	3.1
313.05487	0.8
316.02206	8.4
317.02927	1.6
327.07184	2.8
331.17593	1.0
448.06296	1.5
462.12500	28.7
463.08755	76.5
463.22046	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	462.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24488	0.3
57.03425	0.3
59.01379	5.3
60.01705	0.3
61.98828	100.0
71.01383	1.6
73.02956	0.6
75.00864	0.4
85.02941	0.4
88.98811	0.7
89.02441	2.0
90.02705	0.3
95.01387	0.3
99.00901	0.2
101.02462	1.0
109.02927	0.3
109.38042	0.3
113.02460	0.7
119.03548	0.7
123.00911	0.3
123.04525	0.4
124.01675	0.3
125.02429	1.5
127.30708	0.3
137.02449	0.3
151.00401	1.0
153.01953	0.3
154.08878	0.2
161.04579	0.5
162.05029	0.3
164.54716	0.2
167.03529	0.5
178.99944	0.4
179.05650	0.4
192.00681	0.6
193.01453	0.8
219.10367	0.4
227.03186	0.3
237.11330	3.9
238.11647	0.2
244.03336	0.3
271.02597	0.8
272.02795	0.3
287.02219	0.5
300.02902	0.3
300.06174	0.3
301.03616	1.0
315.04684	0.4
316.02185	1.8
317.03052	0.3
388.47107	0.2
399.16473	2.4
400.16946	0.3
409.59335	0.3
416.24011	0.3
418.51956	0.3
461.23703	0.3
462.07977	0.9
462.25092	0.4
463.08737	2.9
463.25473	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	462.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26074	0.2
57.03181	0.2
59.01374	2.5
61.98830	100.0
65.32771	0.2
67.67493	0.2
71.01382	1.4
71.88094	0.2
72.99310	0.9
73.02932	0.3
73.08421	0.2
85.02978	0.3
87.00881	0.8
89.02459	0.7
101.02448	0.8
113.02482	0.3
122.91243	0.2
123.00926	0.4
124.01674	0.3
125.02483	0.4
138.19072	0.2
142.27200	0.2
159.01025	0.3
161.04590	0.5
301.10822	1.1
316.02237	0.3
331.17709	0.3
383.07730	0.3
399.16937	0.5
444.23822	0.8
461.24368	0.9
462.11398	0.4
462.24438	3.1
463.25589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21886	0.2
59.01376	1.1
61.98828	100.0
71.01382	0.3
71.45293	0.2
84.28883	0.2
88.98811	0.3
89.02470	0.4
125.02467	0.3
127.88101	0.2
149.04536	0.2
151.00392	0.2
178.99908	0.2
180.80771	0.2
207.88109	0.2
271.02496	0.4
287.01996	0.2
301.03729	0.4
316.02283	0.5
316.15985	0.2
463.08939	0.6
463.25620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03307	0.4
59.01376	2.7
61.98829	100.0
71.01381	0.6
89.02447	0.6
90.45792	0.4
98.21864	1.0
101.02439	0.6
137.48660	0.4
140.42542	0.3
141.98485	0.4
158.00932	0.3
204.02197	0.4
240.24162	0.4
271.02557	0.9
287.02100	0.6
288.01907	0.4
316.02155	2.5
342.01495	0.4
377.22098	0.4
419.22925	0.5
463.08908	1.2
463.25555	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	462.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
61.98827	100.0
63.57905	0.4
68.96375	0.3
69.64431	0.7
69.64808	0.9
74.87185	0.4
78.95921	0.4
81.86351	0.4
89.14183	0.4
98.21909	0.7
110.72031	0.4
151.00302	0.6
152.99734	0.5
178.99980	0.4
193.01431	0.5
226.11597	0.5
271.02548	3.2
271.05112	0.6
278.31778	0.4
287.02054	1.5
308.72061	0.4
316.02222	5.9
317.03061	1.1
347.21869	0.4
462.20715	0.6
462.29425	1.8
463.08826	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.9
61.98829	100.0
69.36764	0.9
69.37182	0.5
69.70338	0.2
71.01385	0.5
73.02938	0.3
77.52383	0.3
83.01376	0.3
86.03325	0.3
98.22618	0.5
101.02447	0.6
103.87567	0.3
114.69742	0.3
148.76048	0.3
149.77086	0.3
191.03543	0.4
192.03958	0.5
199.79004	0.3
205.22377	0.3
235.13466	0.3
344.90692	0.3
462.24213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10330	0.2
59.01373	1.0
59.09698	0.2
61.98828	100.0
64.91557	0.2
69.39160	0.5
69.39542	0.5
71.01377	0.3
74.02483	1.5
93.90234	0.2
98.21821	0.4
101.02432	0.3
151.14923	0.2
165.35307	0.2
255.08003	0.2
462.27222	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	462.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.6
60.01703	0.7
61.98828	100.0
65.00323	0.3
71.01385	0.9
73.02960	0.6
85.02967	0.3
89.02475	0.6
101.02451	0.9
106.06640	0.4
109.02964	0.5
113.02447	0.4
125.02447	0.8
128.30412	0.3
135.04533	2.7
150.76743	0.3
151.00308	0.5
165.01971	1.4
177.01965	0.6
178.99884	0.5
192.00668	0.7
193.01422	1.0
214.02769	0.5
226.11610	0.4
242.02145	0.4
243.03000	0.4
249.79250	0.3
249.81950	0.3
259.02545	0.4
271.02460	3.2
287.02032	1.9
297.06186	0.3
301.07101	1.6
315.01520	0.4
316.02216	8.6
317.02994	0.6
462.24445	1.1
463.08682	6.4
463.25833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
84.00911	100.0
95.70549	4.5
157.85280	4.9
163.15712	4.7
183.91519	4.2
213.11859	5.0
215.96278	4.9
272.74918	4.8
276.94293	5.3
316.02145	10.3
319.19290	6.4
320.19925	41.9
377.23248	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	462.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25605	100.0
93.35955	19.8
98.21885	45.1
143.26019	22.9
146.43648	17.2
148.93437	19.2
216.82300	21.8
362.24493	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25093	1.2
51.42294	1.1
57.03442	7.7
59.01381	2.6
66.69524	1.0
69.49641	5.2
71.01367	2.4
81.03447	1.3
83.01383	6.6
90.65884	1.3
91.87122	1.2
93.03469	4.2
95.01398	2.9
95.05031	2.0
96.96034	2.5
97.03008	1.6
101.02466	1.7
105.10432	1.1
109.02975	2.5
111.00930	1.4
121.02930	3.6
123.00894	6.3
125.02447	35.9
125.03431	3.0
137.02444	15.7
139.04005	9.5
149.02379	2.1
161.02431	2.5
161.79605	1.3
164.98698	3.3
165.01947	2.5
167.03491	3.3
180.98161	6.5
181.05080	4.0
182.99663	1.8
192.98164	2.0
194.96127	1.6
194.99852	1.9
195.96906	1.8
204.98195	1.4
206.99788	3.3
209.01324	1.6
211.02818	2.5
220.97731	3.0
222.99242	19.9
230.99811	2.2
234.99226	4.5
236.97055	3.3
237.00800	6.2
237.97997	4.3
246.99298	2.6
249.00804	2.4
254.98064	1.5
258.99252	4.8
262.98685	5.2
265.00262	51.6
266.00592	1.3
268.96326	1.5
269.01343	1.3
271.02899	2.2
273.00797	1.7
275.02457	4.7
277.00345	7.4
279.01770	2.2
282.99274	2.4
286.45462	1.4
287.02377	1.7
289.00391	1.9
293.03589	1.9
296.99243	6.1
299.02417	9.4
301.00256	7.7
301.09326	1.4
305.06830	2.0
315.02118	2.1
317.03430	16.3
319.01575	2.6
325.00266	4.5
326.98123	3.2
331.01328	3.1
335.04492	1.4
343.01373	12.4
356.99179	1.4
359.04373	14.2
361.02512	5.7
367.01175	2.1
375.00226	13.5
385.02454	27.2
386.02649	1.7
403.03464	100.0
404.03641	4.9
462.98386	2.7
463.14734	2.8
477.39981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86768	0.7
52.76847	0.7
55.30562	0.8
62.79758	0.7
63.02390	1.0
65.00308	0.9
69.41013	1.3
69.41431	2.4
83.01392	0.9
104.76778	0.7
105.73516	0.9
107.01395	0.9
109.02950	1.6
111.95649	0.9
124.01685	2.3
125.02454	0.9
137.02440	2.9
151.00372	8.0
163.00288	1.6
164.01167	1.7
178.99866	7.6
203.03445	0.8
214.02704	6.7
242.02237	3.8
243.02914	3.1
259.02399	6.5
270.01755	7.2
271.02478	35.8
272.02859	1.8
287.01965	21.8
288.02460	2.9
299.02139	1.1
316.02209	100.0
317.02905	22.8
463.08813	85.0
464.09067	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35517	0.6
55.74622	0.6
59.01357	0.9
69.64400	0.7
69.64745	2.2
71.01376	0.8
93.03447	1.4
97.03032	0.6
98.22555	1.2
105.03453	1.0
108.02167	3.5
109.02944	9.9
111.00875	0.7
121.02962	2.8
123.00901	0.9
123.04505	1.7
124.01642	1.5
125.02465	1.9
135.04514	1.0
136.01637	1.5
137.02411	3.3
138.03214	0.8
144.85240	0.6
145.02896	0.9
148.01651	0.8
149.02432	3.8
151.03978	2.9
152.01198	4.9
153.01945	10.7
161.02428	1.8
162.03271	1.4
163.04076	1.5
164.01180	6.1
165.01939	5.0
166.02631	1.5
167.03453	1.4
173.02327	0.7
177.01918	6.2
178.02661	0.9
178.99904	0.8
179.03400	1.2
186.58005	0.6
189.01967	1.2
190.02745	4.5
190.72067	0.7
191.03458	2.1
192.00647	70.9
193.01407	100.0
194.02100	6.8
195.02979	14.3
195.04630	0.5
205.01411	3.3
206.02176	3.6
207.02983	20.8
207.04984	1.1
221.00954	2.0
222.01682	2.8
223.02393	1.1
232.03716	0.7
234.01701	10.7
235.02510	7.2
237.04079	1.2
249.04057	3.6
255.05051	6.1
294.03680	0.8
312.04944	4.4
313.05627	2.4
327.07397	3.1
448.06448	2.8
463.08823	91.9
464.09052	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03432	2.6
59.01380	7.8
61.98825	2.1
63.38766	0.9
69.31309	2.6
69.31719	1.3
71.01385	10.5
73.02935	5.4
83.01383	2.2
83.33649	0.9
85.02934	4.8
87.10341	0.8
89.02433	2.2
93.03465	1.7
95.01353	1.0
97.02943	1.0
98.60278	0.8
99.00863	2.0
101.02443	9.2
105.03498	0.8
108.02148	2.0
109.02950	23.3
113.02444	4.7
121.02942	1.3
123.04572	0.9
124.01627	2.0
125.02451	16.0
135.04497	1.9
136.01671	3.7
137.02434	4.8
139.04005	0.9
143.42046	0.8
149.02419	1.3
149.04602	1.0
151.04041	0.9
152.01108	0.8
153.01935	22.7
159.02988	1.1
161.02437	7.9
161.04494	4.7
162.03178	3.1
164.01155	10.6
165.01865	2.2
166.02695	1.7
167.03474	1.6
169.01410	3.0
177.01991	2.2
178.99832	2.1
189.01959	1.2
190.02721	5.0
191.03575	1.7
192.00638	100.0
193.01393	36.1
194.02174	5.2
195.02884	2.5
205.01430	4.7
206.02208	4.5
207.02974	48.6
208.03362	1.7
217.01517	1.3
221.01028	1.7
222.01630	2.9
232.03741	1.0
233.06836	0.8
234.01680	14.3
235.02377	2.5
237.03978	1.2
246.01711	1.2
249.04001	15.0
255.05089	2.2
271.02505	2.2
287.02066	0.9
287.05576	2.9
294.03781	1.2
309.06152	6.1
312.04855	1.8
316.02036	3.7
317.02914	1.0
327.07202	1.2
331.17593	11.0
386.38159	0.9
448.06351	2.9
463.08826	64.1
463.21857	23.8
464.09143	3.3
464.22049	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	463.0883
Annotation	Myricitrin
Peak:m/z	Relative Intensity
55.01894	0.7
55.40012	0.8
57.03432	1.8
59.01378	33.5
60.01674	0.9
61.98827	4.2
65.00292	1.5
67.01857	0.8
68.06834	0.7
69.03452	1.0
69.14055	5.5
69.56223	0.7
71.01385	10.3
72.99303	2.3
73.02940	3.5
75.47119	0.8
81.03442	1.2
83.01393	2.7
84.95128	1.3
85.02940	5.7
87.00879	2.5
89.02444	4.8
89.47251	1.0
93.03452	1.3
95.01396	2.0
97.02956	1.1
98.21865	1.5
99.00859	1.8
101.02441	7.5
107.01398	3.0
108.02187	11.2
109.02951	29.4
113.02438	3.8
116.92841	1.2
119.03497	1.5
123.00900	1.7
123.04609	0.9
124.01669	4.1
125.02417	2.7
135.00830	1.1
136.01627	1.7
137.02444	6.9
139.11339	0.9
151.00374	10.0
152.01143	2.9
153.01936	78.0
154.02356	1.1
161.02409	2.1
161.04524	1.6
162.03204	0.9
163.00352	2.1
164.01143	7.8
165.01941	1.4
166.02699	1.1
167.03517	1.7
169.01431	2.0
178.99844	10.0
185.11778	0.9
190.02724	2.7
192.00639	77.7
193.01381	17.4
194.02188	2.8
195.03027	1.9
203.03540	1.3
204.04152	0.9
205.01422	1.3
206.02180	2.4
207.02975	42.5
208.03345	1.0
209.11830	5.0
214.02716	6.7
219.02956	1.0
222.01642	1.6
227.03548	1.4
227.12904	1.5
232.03757	1.2
234.01685	6.7
235.02405	0.9
241.08722	3.0
242.02153	6.0
243.02956	2.8
244.95740	0.9
249.04010	2.6
253.09267	1.9
255.05098	1.3
259.02463	7.3
259.19131	2.0
270.01648	7.3
271.02466	43.6
272.02991	2.1
280.10492	0.9
287.01944	22.4
288.02573	2.4
294.04050	1.2
299.02017	1.6
300.02682	2.2
301.03555	1.9
301.20248	1.9
309.06183	2.6
316.02222	100.0
317.02948	22.3
327.07166	1.0
340.87808	0.8
403.23340	2.3
417.24762	1.4
421.24350	3.1
445.24222	1.9
462.24643	5.6
463.08804	97.8
463.25497	34.7
464.09311	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	463.0884
Annotation	Quercetin 3'-glucoside
Peak:m/z	Relative Intensity
57.03418	2.5
59.01379	72.1
60.08388	0.8
61.98826	4.7
63.02387	1.5
65.00302	3.1
69.88878	0.8
71.01379	10.6
72.99284	1.2
73.02936	4.2
75.00858	0.9
83.01346	2.9
83.05003	0.8
85.02953	4.7
87.00811	1.2
89.02419	3.0
93.03468	0.9
95.01356	1.7
97.02874	1.1
98.21855	2.0
99.00873	1.5
100.56833	1.0
101.02449	6.3
107.01379	5.5
109.02920	3.0
113.02445	4.2
118.45753	0.8
119.03438	0.9
121.02913	2.8
123.00815	2.1
123.04459	1.2
124.01637	4.7
125.02412	5.2
137.02409	4.0
137.66415	0.8
139.11292	20.8
139.12326	0.7
149.02444	1.2
151.00371	19.6
151.03957	2.1
152.01112	1.8
153.01912	1.6
161.02451	1.6
161.04492	3.7
163.00365	1.1
163.03957	1.4
163.11220	2.8
164.01120	2.2
165.09277	1.3
165.12727	1.3
169.01358	3.3
177.01959	0.7
177.03566	0.9
178.99861	12.9
181.12366	8.8
183.10246	26.5
185.11737	1.2
192.00644	7.0
192.99989	0.8
193.01431	11.0
194.02080	0.9
195.02831	1.0
199.13351	2.5
203.03371	0.8
206.02066	0.9
207.02916	2.8
207.10272	1.6
208.10481	1.1
209.11929	6.4
214.02730	5.5
225.11276	4.3
226.11571	2.4
227.03386	0.9
227.12935	3.7
234.01605	1.3
237.09651	2.4
242.02206	4.1
243.02896	2.9
243.12257	1.1
253.09239	1.9
259.02469	4.6
270.01703	4.4
271.02469	32.3
272.02768	1.4
273.03763	1.3
287.01974	17.3
288.02460	1.2
299.01990	1.3
300.02786	1.5
301.03528	23.8
301.06989	1.2
301.20181	2.3
315.01361	0.9
316.02213	72.9
317.02893	14.3
398.04648	0.8
403.23145	0.9
445.20508	6.2
451.86633	0.9
462.19995	1.9
463.08582	75.0
463.21494	100.0
464.09106	3.8
464.21933	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1092
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
59.01377	3.0
69.03429	0.8
69.36793	1.4
69.37172	1.8
69.80758	0.8
71.01378	2.0
83.01388	0.9
85.02983	1.0
89.02450	0.8
95.01390	1.3
96.96041	1.4
108.02167	1.6
109.02970	0.8
113.02446	0.7
116.92826	0.8
123.00900	7.9
124.01662	25.5
125.02460	27.1
125.03435	1.0
126.02819	0.7
134.54436	0.7
137.02437	1.0
139.04013	2.5
149.99586	34.1
151.00392	1.5
151.04112	0.9
153.01811	0.9
155.63182	0.8
167.03508	2.0
168.00652	100.0
169.01418	5.8
192.00691	1.4
241.95184	0.7
301.09122	0.9
331.06686	3.4
370.27417	0.7
383.53339	0.8
445.09924	1.6
463.10907	90.2
464.11569	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	463.1093
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
55.01843	0.9
57.03447	8.2
59.01380	15.9
65.00315	4.9
70.99295	0.6
71.01379	27.6
73.02938	5.1
75.00835	0.7
81.03429	1.0
83.01387	9.1
85.02949	9.2
87.00837	2.3
89.02446	9.0
93.82053	0.6
95.01338	3.0
96.05106	0.6
96.95956	0.9
97.02930	1.5
99.00843	3.0
101.02443	14.6
107.01379	9.7
113.02451	11.0
119.03486	3.0
121.02895	1.8
123.00886	19.8
124.01668	23.2
125.02447	70.1
125.03423	3.6
126.02736	1.4
129.01903	0.6
131.03423	1.7
137.02357	3.0
138.02248	1.0
138.03223	14.1
139.00302	0.7
139.04015	17.1
140.04321	0.7
143.03531	3.2
149.02362	2.0
149.99512	1.1
151.00368	53.8
152.00742	0.9
159.02916	1.9
161.02420	1.0
161.04553	15.0
163.03885	0.7
164.98714	0.8
165.01866	0.9
166.02597	0.7
167.03377	1.9
168.00641	5.7
169.01411	14.4
169.04982	1.1
175.00198	0.8
177.01819	1.6
178.02629	0.6
179.03398	1.1
179.05569	1.7
181.04933	2.2
192.00652	1.0
192.26157	0.8
193.01300	1.4
193.05038	1.2
211.02487	0.9
221.06592	2.0
222.99043	1.3
235.02428	0.8
237.00487	1.1
265.00278	4.2
277.00049	1.1
296.99039	1.2
299.02313	1.0
301.09265	24.8
302.09335	0.9
317.03119	2.3
323.09601	1.2
326.98373	0.8
331.17212	0.9
343.01013	1.7
343.06537	0.7
359.04062	1.9
375.00272	1.2
385.02502	3.0
402.99115	1.0
403.03476	10.9
403.13092	1.5
404.03781	0.8
427.08099	1.0
445.09628	2.0
463.10532	100.0
463.21396	2.9
464.10870	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	463.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76445	0.3
59.01379	5.0
61.98822	1.9
67.01900	0.4
69.03431	0.5
71.01366	1.1
73.02937	0.6
74.19151	0.3
78.95877	0.3
81.03448	1.5
83.01347	0.4
85.02940	0.7
86.20382	0.4
93.03462	0.9
95.01382	4.1
101.02422	0.4
105.03481	0.6
107.01390	3.3
109.02956	1.7
113.02437	0.6
121.02964	1.8
122.00085	0.9
123.00866	3.3
123.04533	0.7
124.01676	1.2
125.02455	8.8
135.00894	0.5
135.09064	0.4
136.01672	0.9
137.02455	2.6
149.02422	0.9
149.99582	72.8
151.00383	11.9
152.01079	0.5
152.99522	0.4
158.03764	0.4
161.02367	0.9
163.00404	0.5
165.01913	1.3
168.38664	0.4
169.01398	1.1
177.01979	0.8
178.99852	1.4
191.35422	0.4
192.00563	0.6
193.01433	3.6
207.02701	0.5
209.11874	0.8
214.02716	1.0
227.12944	0.6
242.02206	0.8
243.02907	0.8
253.09381	0.5
259.02478	0.7
270.01660	0.6
271.02466	4.3
287.01904	2.6
295.04593	0.4
316.02191	11.6
317.02856	2.5
355.06683	100.0
356.07001	4.8
373.07779	0.6
421.24530	0.6
463.08804	11.2
463.25317	1.4
463.30981	0.8
464.09134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1454
Annotation	Phlorigidoside B
Peak:m/z	Relative Intensity
55.01869	5.3
57.03430	6.3
59.01377	64.8
66.56670	1.7
70.20192	4.0
71.01379	89.9
72.99309	2.2
73.02561	1.8
73.02949	23.8
75.00864	2.7
83.01382	9.8
85.02950	35.5
87.00861	5.7
89.02442	24.5
89.89195	1.6
95.01373	9.7
97.02937	4.0
99.00871	5.8
99.01451	1.7
101.02441	54.4
107.01385	2.4
113.01702	3.1
113.02448	40.8
119.03479	10.0
121.02936	4.8
122.97580	1.7
123.00886	77.8
124.01661	84.2
125.02460	16.5
131.03499	4.7
137.02428	7.1
138.03223	66.1
139.04013	76.7
143.03467	13.2
149.02408	3.5
150.03194	1.7
151.00365	3.1
151.04004	3.2
159.02956	3.6
161.04549	63.3
165.01947	1.9
166.02695	3.7
168.00629	4.0
169.01425	4.7
169.05019	3.5
179.05659	4.8
181.04987	8.2
193.05042	5.7
221.06668	9.8
222.99271	2.6
237.00783	1.9
265.00250	7.5
273.00717	1.8
301.09268	100.0
302.09457	3.9
317.03497	3.0
323.09735	2.1
359.04459	3.0
375.00119	2.4
385.02368	3.3
403.03662	13.3
463.14890	77.1
463.21420	3.9
464.14813	4.8
472.51050	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	463.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
61.98827	11.1
65.03950	1.6
69.03454	0.9
69.69514	1.4
71.01379	0.5
84.93979	0.4
89.03955	1.2
91.01852	0.5
91.05523	2.8
93.03455	2.5
95.05019	0.9
97.65413	0.4
103.05532	0.6
105.03443	1.6
107.05009	1.4
109.02948	3.3
111.04536	0.9
111.26235	0.4
117.03475	0.8
119.05011	2.6
121.02948	4.1
123.04521	2.2
125.02401	0.4
130.04237	0.7
131.04997	2.8
133.02950	13.1
135.00929	0.9
135.04517	6.7
137.02422	0.9
139.11295	1.4
143.04997	0.5
145.02939	1.2
145.06554	0.7
146.03748	2.5
147.04501	6.9
148.01657	3.2
149.02423	7.1
151.04019	6.8
153.01942	1.1
153.80595	0.5
161.02454	3.5
163.04013	5.9
165.01950	0.8
171.04608	0.6
174.03185	1.2
175.03989	13.5
176.01141	1.0
177.01917	100.0
178.02235	2.9
178.67938	0.4
179.03487	17.8
180.03828	0.5
181.01360	0.6
183.10226	2.7
187.04054	1.6
189.01958	0.8
189.05542	0.9
191.03481	3.3
193.01334	0.6
195.02948	0.6
200.04549	0.5
205.01392	2.5
205.05052	0.8
207.02956	5.4
214.08217	0.4
217.05080	4.3
219.02965	26.4
220.03253	1.0
249.04190	0.5
261.04025	5.0
271.02490	0.5
279.05078	28.4
280.05389	1.5
297.06140	32.6
298.06473	0.9
325.14502	0.4
427.19666	1.0
463.09457	0.9
463.16055	8.9
463.25620	1.2
464.16464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91086	1.1
53.10559	1.3
54.34938	1.2
59.01116	1.8
59.01379	26.6
61.98821	16.6
71.01386	6.6
73.23286	1.2
78.95879	1.4
83.24474	1.2
85.02962	2.7
89.02436	3.1
99.04513	6.9
101.02448	4.4
107.01379	1.7
109.02940	2.2
113.02476	2.1
116.94073	1.3
124.01615	2.7
125.02390	1.9
137.02422	4.6
151.00381	7.7
152.01117	2.7
152.99602	1.8
155.10788	1.7
163.00276	1.4
164.01135	1.5
178.98434	1.5
178.99875	8.5
181.46544	1.4
189.33553	1.4
189.35509	1.3
192.00636	5.8
193.01407	8.2
194.01782	1.2
203.14436	4.9
207.02890	1.9
209.11766	4.8
214.02718	6.9
221.15454	20.2
227.12816	4.3
231.58850	1.4
242.02180	4.3
243.02948	3.6
259.02454	6.3
265.14429	63.3
266.14764	3.4
270.01636	9.4
271.02441	38.9
287.01959	22.9
288.02448	3.3
299.01910	2.5
316.02213	100.0
317.02884	20.2
329.23364	5.1
351.04120	1.7
363.59424	1.3
377.22070	1.9
419.23148	5.4
421.24298	3.2
427.19644	4.9
445.69406	1.4
463.08801	86.8
463.25671	19.7
464.09061	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	463.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01377	30.2
59.44502	0.8
61.98828	33.8
70.20908	1.5
70.21244	2.0
71.01385	8.8
85.02952	1.7
89.02445	7.6
101.02448	7.7
107.10558	1.0
113.02440	2.8
119.03462	2.3
125.02438	1.4
151.00391	1.3
175.27711	1.0
176.99031	0.9
178.06313	1.1
178.99907	1.6
192.00563	1.4
207.26839	1.0
214.02760	1.2
247.13382	9.0
265.14407	13.2
270.99954	1.2
271.02454	4.9
287.02011	2.3
300.02957	0.9
316.02249	9.7
317.02869	2.3
339.50867	1.2
371.36734	1.0
378.99438	1.2
427.19702	100.0
428.20099	7.9
463.03012	1.4
463.08954	14.2
463.16583	1.4
463.17767	1.3
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
55.01875	2.4
57.03440	3.2
58.00613	0.9
59.01377	52.4
61.98824	7.4
65.00315	1.5
69.03458	1.0
71.01382	45.7
72.99290	1.0
73.02549	1.2
73.02941	17.8
75.00874	2.5
81.03439	1.6
83.01382	8.9
83.05025	5.5
84.02141	0.7
85.02950	19.3
87.00887	4.0
89.02442	22.7
95.01374	4.8
97.02937	3.6
99.00883	6.7
101.02440	36.2
105.03428	1.0
107.01379	3.4
108.02147	0.9
109.02940	3.3
110.00091	2.8
111.00899	2.6
113.02445	19.8
115.03999	1.3
116.24239	0.7
119.03490	5.7
121.02950	2.0
123.00915	2.1
123.04530	1.6
124.01644	1.9
125.02441	14.2
129.01933	1.3
131.03488	2.4
137.02438	3.7
137.99536	0.8
139.00374	4.5
139.04047	0.8
139.65633	0.8
141.00171	1.7
143.03496	2.3
147.04608	1.0
148.01706	1.0
149.02423	2.1
149.04543	1.3
151.00371	8.7
151.03998	1.0
153.01944	3.0
159.02969	3.0
161.02484	5.3
161.04547	19.7
163.00427	1.2
163.11278	3.1
164.01146	5.6
165.01913	1.2
165.12886	2.3
165.99051	3.9
166.99779	2.0
167.03474	3.8
168.00642	1.0
168.99625	2.5
169.01419	2.3
171.04416	0.9
175.04013	1.9
177.01915	2.4
178.99863	4.5
179.05608	5.4
180.00249	0.8
183.02974	1.7
183.04504	1.8
185.02464	1.6
187.00397	0.8
187.04005	1.5
189.01778	1.0
192.00693	1.9
193.01404	3.8
194.99562	0.8
198.00229	0.8
198.03128	0.8
199.04036	3.9
201.01958	7.1
203.03540	3.8
206.99315	0.9
207.02821	0.7
209.11821	87.7
210.12187	2.3
214.59346	0.7
215.03584	1.3
219.02982	1.4
227.03506	7.1
227.12866	15.2
231.02940	3.6
233.06854	1.9
241.14359	1.3
242.02296	1.1
243.02945	5.9
253.09294	12.5
255.02992	3.3
259.02399	1.3
260.02966	0.9
269.04477	1.4
270.01569	1.5
271.02463	59.5
272.02890	3.8
287.02029	7.5
287.05176	1.2
288.02448	0.9
289.03516	2.4
293.08795	0.9
299.01950	77.9
300.02509	7.3
301.03568	4.1
309.03766	3.7
316.02203	25.8
317.03000	16.6
319.04434	1.9
331.17633	19.6
345.07993	1.4
359.04068	1.6
375.09088	7.5
377.17990	2.1
385.18622	2.4
403.19693	2.5
419.18954	5.4
433.09885	0.8
463.08786	36.4
463.21838	100.0
464.09225	1.7
464.22095	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	463.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03444	0.1
58.00583	0.2
59.01377	20.5
61.85920	0.1
61.98830	0.3
69.03454	1.0
69.27224	0.3
69.27612	0.2
69.43933	0.1
71.01379	10.3
71.47755	0.1
72.99308	0.4
73.02946	4.7
80.02655	0.1
81.03461	1.0
83.01387	1.2
83.05024	0.2
85.02948	4.0
87.00871	0.4
87.04499	0.2
89.02442	7.2
95.01395	0.4
96.96008	0.1
97.02946	1.9
98.21862	0.2
99.00883	0.4
99.04542	0.2
101.02443	9.9
103.04012	8.1
107.01373	0.2
109.02960	0.4
113.02443	0.6
115.03997	0.5
119.02636	0.2
119.03497	4.0
120.08160	0.2
124.01624	0.1
125.02444	8.6
126.02763	0.2
127.04013	0.7
131.03506	0.3
133.05069	0.1
137.02341	0.2
137.09715	0.4
143.03510	1.2
145.05054	1.3
151.00372	0.2
153.01907	0.1
155.10777	100.0
156.11096	2.6
161.04520	0.3
163.06117	6.9
165.02005	0.1
178.99846	0.4
183.13870	0.1
192.00569	0.5
193.01384	0.3
205.07155	0.6
209.11864	0.5
214.02682	0.3
229.07130	0.3
242.02205	0.3
247.08215	2.7
256.59286	0.1
259.02435	0.3
270.01678	0.4
271.02466	1.7
287.01886	0.9
289.09271	0.3
301.15567	0.3
307.10336	4.4
315.98676	0.2
316.02216	3.4
316.05890	0.2
317.02863	0.8
417.24869	0.2
463.08749	4.1
463.21503	0.6
464.09164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29223	0.5
55.01885	2.8
57.03442	7.1
58.00585	0.7
58.72231	0.5
59.01378	33.4
61.98828	47.8
65.00332	0.8
66.60600	0.5
69.03452	1.6
69.64590	1.6
71.01380	50.6
72.99300	0.6
73.02946	22.7
75.00863	1.1
81.03440	1.6
83.01389	8.1
85.02948	22.6
86.00101	0.9
87.00873	3.0
89.02444	17.5
93.03456	2.6
95.01381	2.3
95.05038	0.9
97.02949	3.0
99.00875	9.3
99.04514	1.2
101.02444	38.6
101.55606	0.5
105.03455	1.9
107.01385	1.1
108.02152	1.9
109.02950	16.3
111.00877	1.2
113.02447	20.3
113.03242	1.0
115.04002	2.1
119.03473	2.5
121.02957	0.8
123.00880	0.8
123.04505	1.0
124.01657	2.3
125.02443	44.0
126.02789	1.2
129.01904	0.7
131.03508	3.0
133.02960	0.8
137.02434	11.5
139.04001	1.7
143.03493	3.1
149.02470	0.7
149.04587	3.2
151.00372	3.8
151.04022	0.8
152.01160	1.6
153.01935	19.2
153.62016	0.5
159.02991	4.1
161.02472	16.7
161.04541	26.1
162.03154	1.9
162.04799	0.5
163.00333	0.9
164.01131	2.4
165.01904	1.7
166.02679	1.7
167.03465	2.2
168.00597	0.7
169.01407	1.3
175.04002	0.8
177.01906	2.3
177.05595	1.5
178.06314	1.5
178.99873	3.2
179.03500	1.2
179.05418	0.7
179.06798	1.3
183.02972	1.0
189.01973	0.9
190.02690	4.6
191.03522	0.6
191.05650	1.3
192.00636	16.2
192.76007	0.5
193.01389	9.4
193.08635	0.6
194.02092	2.6
194.09169	0.9
195.02963	1.2
201.05594	0.7
203.03275	0.7
205.01392	1.7
206.02161	2.8
207.02963	6.1
214.02663	1.9
219.06430	0.7
221.00996	0.8
222.01601	0.8
227.03607	1.3
233.06618	1.8
234.01694	9.8
235.02257	1.3
237.04170	0.7
237.07600	1.1
238.08063	1.8
242.02220	2.3
243.02939	1.9
246.01703	0.7
249.04062	9.0
255.02943	1.2
255.05249	2.5
259.02438	2.4
269.04526	1.2
270.01627	2.5
271.02478	18.0
272.03064	0.9
283.15512	0.8
287.01962	9.6
287.05594	8.0
288.02740	0.6
288.05966	0.8
293.08832	1.3
294.03827	1.4
300.02856	4.6
301.03445	2.3
305.06705	4.1
309.06122	3.2
312.04871	2.7
316.02203	39.3
316.83835	0.6
317.02954	8.1
327.07373	1.0
331.17603	32.9
332.18042	1.1
400.13290	3.6
425.20001	1.0
427.19644	1.4
463.08798	56.4
463.21832	100.0
464.09299	3.2
464.22223	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29223	0.5
55.01885	2.8
57.03442	7.1
58.00585	0.7
58.72231	0.5
59.01378	33.4
61.98828	47.8
65.00332	0.8
66.60600	0.5
69.03452	1.6
69.64590	1.6
71.01380	50.6
72.99300	0.6
73.02946	22.7
75.00863	1.1
81.03440	1.6
83.01389	8.1
85.02948	22.6
86.00101	0.9
87.00873	3.0
89.02444	17.5
93.03456	2.6
95.01381	2.3
95.05038	0.9
97.02949	3.0
99.00875	9.3
99.04514	1.2
101.02444	38.6
101.55606	0.5
105.03455	1.9
107.01385	1.1
108.02152	1.9
109.02950	16.3
111.00877	1.2
113.02447	20.3
113.03242	1.0
115.04002	2.1
119.03473	2.5
121.02957	0.8
123.00880	0.8
123.04505	1.0
124.01657	2.3
125.02443	44.0
126.02789	1.2
129.01904	0.7
131.03508	3.0
133.02960	0.8
137.02434	11.5
139.04001	1.7
143.03493	3.1
149.02470	0.7
149.04587	3.2
151.00372	3.8
151.04022	0.8
152.01160	1.6
153.01935	19.2
153.62016	0.5
159.02991	4.1
161.02472	16.7
161.04541	26.1
162.03154	1.9
162.04799	0.5
163.00333	0.9
164.01131	2.4
165.01904	1.7
166.02679	1.7
167.03465	2.2
168.00597	0.7
169.01407	1.3
175.04002	0.8
177.01906	2.3
177.05595	1.5
178.06314	1.5
178.99873	3.2
179.03500	1.2
179.05418	0.7
179.06798	1.3
183.02972	1.0
189.01973	0.9
190.02690	4.6
191.03522	0.6
191.05650	1.3
192.00636	16.2
192.76007	0.5
193.01389	9.4
193.08635	0.6
194.02092	2.6
194.09169	0.9
195.02963	1.2
201.05594	0.7
203.03275	0.7
205.01392	1.7
206.02161	2.8
207.02963	6.1
214.02663	1.9
219.06430	0.7
221.00996	0.8
222.01601	0.8
227.03607	1.3
233.06618	1.8
234.01694	9.8
235.02257	1.3
237.04170	0.7
237.07600	1.1
238.08063	1.8
242.02220	2.3
243.02939	1.9
246.01703	0.7
249.04062	9.0
255.02943	1.2
255.05249	2.5
259.02438	2.4
269.04526	1.2
270.01627	2.5
271.02478	18.0
272.03064	0.9
283.15512	0.8
287.01962	9.6
287.05594	8.0
288.02740	0.6
288.05966	0.8
293.08832	1.3
294.03827	1.4
300.02856	4.6
301.03445	2.3
305.06705	4.1
309.06122	3.2
312.04871	2.7
316.02203	39.3
316.83835	0.6
317.02954	8.1
327.07373	1.0
331.17603	32.9
332.18042	1.1
400.13290	3.6
425.20001	1.0
427.19644	1.4
463.08798	56.4
463.21832	100.0
464.09299	3.2
464.22223	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	73.6
61.98826	4.7
63.02370	1.4
63.12821	0.9
65.00307	2.3
69.23429	4.0
69.30560	0.9
71.01077	0.9
71.01379	10.8
72.99271	1.1
73.02950	5.0
73.25548	1.0
83.01378	4.2
83.05035	1.0
85.02968	4.7
86.00085	1.0
87.00848	1.2
89.02419	3.1
95.01372	1.0
98.22562	2.3
99.00869	1.4
101.02451	8.4
107.01393	4.2
108.02146	1.0
109.02920	2.1
110.36894	1.0
111.00824	1.0
113.02406	3.8
121.02906	2.9
123.00826	3.1
123.04514	1.6
124.01627	3.7
125.02425	5.0
137.02368	3.2
139.10350	1.4
139.11301	21.5
141.01912	1.0
148.01524	0.9
149.02342	1.2
151.00369	21.2
152.01088	1.5
153.01857	3.2
161.04530	4.2
163.00273	0.9
163.11270	2.0
164.01096	2.6
165.09103	1.2
166.38884	0.9
169.01329	3.5
178.98662	0.8
178.99829	10.1
181.12334	9.2
183.10255	29.0
192.00632	7.3
193.01358	9.7
195.02907	0.9
199.13336	3.9
203.03647	1.0
207.02948	1.3
209.11856	7.0
210.59811	1.0
213.01755	1.0
214.02650	5.2
225.11148	3.9
226.11449	1.1
227.03392	1.2
227.12726	3.0
237.09610	2.5
242.02235	6.2
243.02786	3.3
243.12236	1.4
253.09103	1.7
259.02444	4.4
270.01740	5.2
270.99609	1.8
271.02463	30.0
272.02682	2.0
287.01981	18.7
288.02371	1.9
300.02615	1.2
301.00485	1.5
301.03558	21.3
301.20126	2.0
302.03546	1.2
316.02228	69.4
317.02875	16.3
445.20688	7.2
463.08508	73.5
463.21463	100.0
464.08698	4.6
464.22064	6.1
481.73846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
57.03437	4.3
59.01374	100.0
61.98825	11.8
66.10026	0.7
69.03436	4.4
71.01377	86.6
72.99300	5.5
73.02943	34.9
75.00862	3.0
81.03462	1.7
83.01376	10.8
83.04995	0.9
85.02943	27.0
87.00864	6.0
88.98815	1.1
89.02438	86.9
93.03468	0.9
95.01405	5.2
97.02934	5.9
99.00872	29.7
99.04514	1.5
101.02441	69.2
111.00878	1.6
113.02441	28.4
115.03999	6.2
119.03501	15.8
121.02895	0.7
123.04517	0.8
125.02435	12.7
125.47471	0.6
127.03997	1.2
129.01956	1.4
131.03499	16.3
137.02409	1.6
143.03506	6.4
149.04546	35.0
151.00293	0.7
151.11244	1.3
153.01894	1.1
159.02948	4.0
161.04544	23.3
169.01389	0.8
175.06094	0.7
179.05544	2.9
191.05621	11.3
192.00609	1.9
193.01340	1.2
198.07173	0.7
220.62021	0.6
221.06570	6.5
233.04282	0.9
233.06631	13.5
251.07739	3.3
265.14166	0.8
293.08771	6.1
301.03387	1.2
301.19992	1.5
316.02283	1.8
323.37903	0.8
331.17599	46.3
332.17755	2.3
416.23816	0.8
427.19342	2.2
463.21570	92.9
464.21869	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01376	100.0
61.98819	3.5
69.03431	0.8
69.09019	6.0
69.33629	0.8
71.01379	34.9
71.86378	0.9
73.02937	4.8
80.96540	0.8
83.01373	2.9
83.05042	1.1
85.02941	7.8
87.00858	2.4
89.02440	51.4
95.01360	2.4
97.93307	0.8
98.22672	2.0
99.00885	1.2
101.02447	20.5
109.02938	2.2
113.02445	16.8
119.02653	1.0
119.03500	20.2
123.00840	1.1
125.02422	4.0
131.03532	4.2
137.02423	1.9
138.84496	0.8
143.03503	4.7
149.04504	2.9
149.06126	0.9
151.00363	3.6
151.92464	0.7
159.54636	0.9
161.04559	7.3
167.03464	1.3
169.01350	0.9
178.99768	1.8
179.05612	18.2
189.01811	0.9
190.02464	1.0
192.00612	2.7
193.01341	3.1
193.05104	1.4
199.13341	1.6
209.11902	4.3
214.02638	1.6
215.12854	0.9
227.12866	5.6
241.10730	2.1
242.02051	1.1
243.03145	1.3
249.15852	1.0
253.09416	1.3
255.04979	0.9
259.02402	1.8
270.01547	1.6
271.02408	9.5
272.02988	1.0
287.01956	6.3
287.04962	1.2
287.83710	0.9
301.03473	3.3
305.16119	1.0
315.98685	1.6
316.02191	23.0
316.05875	1.5
317.02771	6.1
331.17535	2.0
359.17007	5.5
391.19623	14.6
403.19666	13.6
463.08731	20.2
463.21564	9.0
464.09143	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53500	0.2
55.01876	3.3
57.00173	0.3
57.03447	4.6
58.00597	0.7
58.44014	0.3
59.01378	38.5
61.98828	2.0
68.34194	0.2
68.99805	0.3
69.03465	1.6
71.01379	64.7
71.45422	0.3
72.01741	0.5
72.10986	0.2
72.99315	1.2
73.02944	27.5
75.00861	1.5
81.03463	1.2
83.01382	9.5
83.54958	0.3
84.02164	0.5
85.02949	28.2
86.00076	0.2
86.03303	0.3
87.00870	2.8
89.02443	21.8
93.03445	0.3
95.01382	5.2
96.74833	0.2
97.02957	3.6
99.00880	9.2
99.04510	0.5
101.02441	43.6
102.02816	0.4
108.02182	0.3
109.02950	5.7
111.00906	0.8
113.02448	25.4
114.02775	0.3
115.03983	1.3
119.03502	2.8
123.00906	0.7
123.04513	0.9
124.01683	0.7
125.02438	6.9
126.02829	0.4
129.01944	1.2
131.03505	5.5
137.02446	1.3
139.04082	0.2
141.01802	0.3
143.03503	3.7
145.02892	0.3
147.04549	0.6
149.02625	0.3
149.04553	7.7
149.05769	0.4
151.00392	0.6
151.03958	0.6
152.01193	0.4
153.01936	8.9
154.02257	0.6
159.02994	5.4
159.04384	0.3
161.04556	33.0
162.04964	0.4
163.03886	0.4
165.01892	0.6
168.00623	0.3
169.01424	1.0
169.12306	0.4
174.03183	0.2
177.01991	0.3
179.03613	0.2
179.05618	0.9
179.96556	0.2
189.05632	0.7
191.03523	4.2
191.05594	2.1
192.00648	1.8
193.01389	2.5
193.05051	0.5
203.07088	0.3
205.03447	0.6
205.05144	0.5
211.02475	1.3
221.06621	0.3
233.04524	0.5
233.06702	2.2
241.05002	1.0
242.02238	0.3
245.08203	0.9
251.07834	0.4
257.08279	0.7
265.14404	0.7
271.02347	0.6
271.06113	1.1
272.03201	0.3
275.05722	0.7
284.33160	0.3
287.05768	0.3
289.07202	4.0
290.07358	0.4
293.08908	1.2
299.01962	1.1
301.03976	0.4
301.07266	0.9
316.02252	1.6
317.02982	0.4
331.17603	51.2
332.17902	2.0
405.70206	0.3
409.94394	0.3
425.08884	2.5
463.08655	10.9
463.21826	100.0
464.09088	0.6
464.22171	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
57.03446	2.9
58.00594	0.8
59.01376	58.9
61.73838	0.4
61.98834	5.8
69.03459	1.7
70.51756	0.8
71.01377	60.3
72.01749	0.4
72.99319	1.1
73.02943	22.5
73.66091	0.4
75.00880	1.8
77.13705	0.5
81.03455	1.1
83.01384	7.5
85.02946	21.3
87.00887	2.6
89.02441	57.1
90.02789	0.7
95.01394	3.2
95.94859	0.4
97.02964	4.0
99.00873	17.2
99.04510	1.2
101.02440	50.9
102.02779	0.8
109.02950	2.4
111.00928	1.1
113.02444	21.0
115.03997	2.7
118.46706	0.5
119.03500	8.3
125.02454	7.1
129.01912	1.0
131.03508	9.1
137.02412	0.6
143.03506	3.8
149.04547	28.5
153.01941	3.7
155.03642	0.4
157.92107	0.5
159.02966	3.6
161.04555	22.8
165.05890	0.4
169.01398	0.5
169.12369	1.7
172.40988	0.4
179.05692	2.1
191.03654	1.1
191.05591	7.7
192.00655	1.3
193.01437	1.4
216.33868	0.4
221.06627	2.8
233.06645	3.2
240.07181	0.5
251.07683	4.4
271.02588	0.6
289.07220	1.9
293.08829	3.7
301.03235	0.6
311.09824	1.2
316.02145	1.2
331.17603	41.0
332.17938	1.8
425.08548	1.2
463.08755	4.3
463.21829	100.0
464.22125	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95562	1.6
56.57367	1.4
57.33664	1.5
59.01382	41.4
61.98830	33.3
69.35873	1.5
71.01381	16.5
71.44924	1.9
73.02946	3.9
83.01395	4.6
85.02962	6.8
87.00898	5.0
89.02442	3.4
99.00903	2.0
101.02419	8.6
106.69678	1.5
107.01420	1.9
109.02986	2.7
111.00893	1.9
113.02467	5.0
124.01675	4.1
125.02468	3.6
137.02461	5.3
151.00395	5.8
152.99561	2.0
153.01970	2.5
154.97433	1.6
164.01161	2.9
178.99866	8.8
192.00661	6.9
193.01443	7.9
202.17764	1.6
203.03514	1.8
209.11874	4.4
214.02780	8.4
215.16507	24.1
219.00734	1.9
227.12895	2.6
242.02184	4.9
243.03113	2.2
249.04330	1.5
255.03146	2.1
259.02512	7.5
270.01749	5.2
271.02472	41.6
271.05264	3.0
285.04074	2.0
287.02011	21.5
299.01889	2.0
316.02228	100.0
317.02875	20.7
317.19653	3.6
329.23199	2.1
359.20724	10.2
377.21790	43.9
419.22882	69.3
421.24258	3.8
463.08859	88.4
463.25403	17.1
464.09189	7.6
469.70758	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	463.2335
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
59.01370	3.1
61.98810	1.0
63.29362	0.8
69.44039	4.3
78.95909	2.3
82.34549	0.9
112.67836	0.9
119.05044	0.8
124.01662	3.6
125.02441	5.9
149.02449	1.7
149.13341	1.0
150.03279	1.4
151.00319	2.0
151.43576	0.9
152.01178	1.1
152.99571	4.0
158.03662	1.1
159.04501	1.2
161.02473	1.2
162.03218	0.9
163.04012	2.1
164.01152	2.0
164.04828	1.6
166.02649	0.9
168.00569	1.4
169.01434	1.4
175.03979	5.5
176.04778	5.3
178.99831	2.3
180.61736	0.9
185.11688	1.2
189.05605	1.7
190.06406	1.2
192.00604	5.4
193.01407	7.5
201.12943	0.9
203.14401	1.9
204.07869	1.4
205.01503	1.0
214.02661	2.2
217.00342	3.1
219.02922	1.7
219.13876	1.5
229.12361	1.0
232.11002	1.5
233.11835	4.5
242.02238	1.7
247.13364	38.0
249.14911	1.9
259.02396	1.5
270.01642	1.2
271.02478	8.7
273.11316	2.1
287.01910	7.1
291.12335	16.3
301.14499	1.8
316.02216	27.9
317.02988	4.0
383.22278	4.8
401.23236	3.5
401.45178	1.0
419.24347	4.5
445.22507	1.6
463.09009	27.2
463.23346	100.0
464.09189	1.9
464.23621	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	463.2336
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
53.88544	2.6
59.01365	6.0
61.98819	3.7
67.99905	2.4
69.81895	6.8
78.95888	6.3
81.97543	2.5
85.17232	2.6
97.02139	2.5
121.02911	7.6
124.01641	3.6
125.02425	3.1
152.99580	4.6
157.28313	2.9
163.04045	4.4
175.03967	4.3
176.04855	3.1
193.01367	3.6
215.54735	3.0
217.00264	11.9
218.95552	3.0
219.02980	4.7
247.13361	35.8
271.02313	4.1
291.12424	8.5
299.00580	3.4
316.02304	10.9
375.81381	2.8
419.24518	5.1
448.79611	2.6
463.08875	7.3
463.23346	100.0
464.23602	6.8
464.30191	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	463.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54135	1.5
59.01360	2.6
68.55494	1.3
69.58468	4.7
69.58838	2.9
73.10255	1.5
78.95896	4.4
96.96011	4.5
104.62833	1.7
124.01640	3.8
125.02451	5.4
137.02457	2.7
151.00357	4.1
151.04036	1.6
152.99583	6.7
161.02461	2.9
163.03976	3.0
164.01146	2.0
169.01410	1.7
172.05396	2.0
175.04002	5.3
176.04764	7.1
178.99873	5.2
190.06300	2.2
192.00655	5.0
193.01430	6.7
201.05580	2.9
203.14386	1.9
209.11810	2.7
210.39008	1.4
214.02667	2.0
217.00278	3.5
219.02992	1.8
229.12454	1.8
232.11017	1.4
233.11731	1.9
247.13383	26.7
251.12773	1.9
270.01886	3.3
271.02432	15.7
272.07697	1.4
287.01895	7.9
291.12274	7.3
301.14471	6.3
316.02219	43.9
317.02997	10.1
319.15405	2.5
371.19208	1.6
383.22229	3.9
390.91504	1.4
401.23282	3.9
419.24191	1.7
445.21890	2.0
456.82135	1.4
463.08994	35.4
463.23303	100.0
464.23691	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	463.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
57.03447	2.3
59.01378	21.1
61.98826	5.5
69.03442	0.9
69.39947	1.1
71.01379	30.6
72.99309	0.8
73.02943	17.8
75.00868	0.9
81.03465	0.4
83.01384	7.3
85.02946	15.6
86.00090	1.1
87.00883	2.2
89.01927	0.5
89.02441	7.4
95.01384	2.4
97.02928	1.8
98.22605	0.5
99.00877	6.4
99.04521	0.5
101.02439	34.7
102.02783	0.5
108.63249	0.3
109.21939	0.3
111.00858	1.4
113.02444	13.2
115.04021	1.1
119.03481	0.8
125.02441	2.3
129.01923	1.3
131.03505	1.9
143.03479	1.4
149.04532	0.9
159.03000	3.0
161.04546	10.5
167.14404	0.5
191.05539	0.4
217.00336	0.4
233.06635	1.6
239.16653	0.3
265.14453	1.1
271.02588	0.6
293.08740	1.1
305.22284	0.3
316.02130	0.7
331.21237	33.7
332.21558	1.6
334.11551	0.3
423.83148	0.3
463.25458	100.0
464.25781	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	463.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94368	11.1
55.72156	11.0
56.10285	9.9
59.01373	49.5
61.98826	15.2
71.42674	11.3
75.00855	18.1
103.01483	39.0
115.92117	16.3
116.92945	14.3
118.89974	31.7
148.38939	11.2
160.84250	100.0
164.50922	11.2
199.63957	12.2
244.07726	12.3
463.08411	13.2
463.30359	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84090	0.4
55.55807	0.3
59.01376	10.2
61.98826	100.0
68.41510	0.4
70.17803	0.3
70.72071	0.8
71.01378	1.2
71.15159	0.4
73.02933	1.9
83.01368	0.6
89.02473	0.8
95.91562	0.4
101.02444	2.2
109.13271	0.4
113.02460	0.6
121.02948	0.9
152.99602	0.7
161.04559	0.7
163.21245	0.4
164.23572	0.4
196.06288	0.4
209.11938	0.7
222.51900	0.3
271.02472	0.9
272.02829	1.2
281.80887	0.4
287.01962	0.4
288.02393	0.7
308.40115	0.4
315.25632	0.4
316.02313	1.7
317.02621	3.5
318.03186	1.1
319.65186	0.4
332.51129	0.4
401.09052	1.4
456.20956	0.4
464.09100	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	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85207	0.2
53.00843	0.2
59.01374	1.1
61.98829	100.0
67.68955	0.2
69.88946	0.4
69.89296	0.5
71.01382	0.8
73.02967	0.2
78.91899	0.2
82.15340	0.2
85.02959	0.4
87.00935	0.2
89.02451	0.4
97.69254	0.2
98.54537	0.2
101.02453	0.9
106.19299	0.2
113.02470	0.4
118.77785	0.2
125.02452	0.9
139.04001	0.3
155.57648	0.2
158.41269	0.3
161.04564	0.2
167.03584	0.5
169.01421	0.3
176.55582	0.2
193.01506	0.2
367.76019	0.3
380.54263	0.2
409.68588	0.2
445.82727	0.2
463.22247	0.3
464.22348	1.5
464.55222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94025	0.2
57.03448	0.4
59.01377	1.1
61.98829	100.0
65.00338	0.3
66.36892	0.2
71.01383	1.1
71.13026	0.3
73.02957	1.0
78.91900	0.8
83.01395	0.3
85.02949	0.7
89.02457	0.7
101.02457	1.5
107.01422	0.5
113.02460	0.5
114.02676	0.3
123.04498	0.3
125.02437	1.5
138.03271	1.1
151.00394	2.2
151.03958	0.4
161.04564	0.4
166.85463	0.2
167.03539	0.8
169.01411	0.3
177.02005	0.3
177.09221	3.0
193.08742	0.4
195.10268	0.7
217.05405	0.4
221.08144	1.4
239.09247	7.1
246.61542	0.2
285.04150	0.8
303.05103	0.4
331.17569	0.6
401.14471	7.8
402.15143	0.7
463.22089	1.0
464.22571	2.0
465.10828	0.4
465.23465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
60.01711	0.2
60.52303	0.2
61.98829	100.0
69.67766	0.2
70.30339	0.2
70.30646	0.2
71.01384	0.7
73.02944	0.4
78.91888	0.5
85.02952	0.3
89.02457	0.9
89.66437	0.2
99.00890	0.3
101.02442	0.6
108.11956	0.2
108.38295	0.2
109.02962	0.3
123.04544	0.4
125.02483	0.7
126.02799	0.3
137.02473	0.2
144.44168	0.2
157.20387	0.2
161.04718	0.3
163.07646	0.2
165.85167	0.2
167.03456	0.3
169.01468	0.4
180.07921	0.8
183.84628	0.2
192.00580	0.2
194.87784	0.2
221.08188	1.4
224.06886	4.0
224.09018	0.2
239.09250	6.1
254.08235	0.2
271.02200	0.3
272.02893	0.4
279.12311	0.3
316.02112	0.3
317.02673	1.4
318.03223	0.4
331.17651	0.3
332.18262	0.3
379.03864	0.2
401.14496	6.0
402.15030	0.2
402.48972	0.2
424.11423	0.2
460.99588	0.2
464.09018	1.6
464.22009	0.6
465.10229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28027	0.2
61.98828	100.0
62.36362	0.2
64.93099	0.2
70.82259	0.2
70.82594	0.2
76.20776	0.2
78.95911	0.5
83.32899	0.2
94.54701	0.2
99.08174	0.4
114.65574	0.2
127.07664	0.4
129.05568	0.9
152.99605	0.6
165.96747	0.2
189.07709	2.1
258.95157	0.2
272.02933	0.2
288.02478	0.3
316.02405	0.3
317.02737	0.5
410.98300	0.2
438.43301	0.2
464.09250	0.8
464.23596	1.0
465.22891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46890	0.3
56.12031	0.3
59.01069	0.5
59.01377	17.1
61.98829	100.0
69.40286	1.3
71.01385	1.5
73.02933	0.4
78.90657	0.4
85.02979	0.8
89.02486	0.5
98.22570	0.7
101.02416	0.6
101.96703	0.3
113.02467	0.6
139.73755	0.3
140.95515	0.3
161.04568	0.7
187.52660	0.3
272.02914	0.5
315.18149	1.7
316.99365	0.4
317.02756	1.4
428.79724	0.3
464.09341	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.1
61.98828	100.0
66.15813	0.5
70.41867	1.1
71.01385	1.9
73.02947	2.6
78.95925	0.5
85.02963	0.6
89.02454	1.1
101.02444	2.7
113.02468	1.4
119.03506	0.6
121.02906	0.6
149.04570	0.6
151.00331	0.5
152.99614	0.9
161.04564	1.1
166.33694	0.5
232.52553	0.5
258.89221	0.5
271.02435	1.3
272.03027	1.4
288.02240	0.7
316.02383	1.7
317.02545	3.9
318.03452	0.6
464.09268	4.9
474.25800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04944	0.4
59.01375	17.8
61.98828	100.0
71.01385	1.8
73.02964	0.9
85.02973	0.9
101.02458	1.6
113.02425	0.8
125.54542	0.5
149.64711	0.4
156.24419	0.5
161.04648	0.7
192.00723	0.6
193.01503	0.5
200.28169	0.5
271.02600	1.0
272.03000	1.6
288.02451	1.2
315.18198	2.3
316.02234	1.6
317.02545	5.0
318.03564	0.8
378.22375	0.5
420.23297	0.9
422.25104	0.6
464.09048	6.0
464.25998	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	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19701	0.3
59.01072	0.5
59.01375	14.5
61.98826	100.0
69.33399	0.3
69.62305	1.0
71.01382	1.2
73.02948	0.7
85.02959	0.5
89.02489	0.4
94.48122	0.3
101.02447	0.6
102.37827	0.3
102.42734	0.3
113.02465	0.7
147.42154	0.3
161.04613	0.7
166.47600	0.3
239.41422	0.4
271.02451	0.5
315.18176	1.1
316.02618	0.4
317.02710	0.9
319.59647	0.3
323.10800	0.3
357.19183	0.3
408.24323	0.4
464.09521	1.0
470.42783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.41561	5.9
75.00867	1.3
82.04553	1.1
97.45612	1.1
98.22627	2.7
105.01933	7.5
120.89706	3.4
160.82864	2.5
160.84195	39.8
209.21802	1.2
214.48126	1.2
220.81003	1.2
287.82367	1.2
289.21777	1.5
305.21146	3.6
321.20599	7.6
325.33878	1.2
333.20676	5.2
349.20200	1.7
361.20166	2.5
375.21332	1.6
377.19748	1.9
464.16150	1.6
465.21222	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	464.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29154	1.5
61.98825	100.0
63.26207	1.5
71.44962	1.5
75.44122	1.6
105.01946	2.1
113.18305	1.7
116.17799	1.6
123.19345	1.9
152.25154	1.8
185.96817	1.7
210.33554	1.6
249.44934	1.8
263.27783	1.8
324.17877	2.0
370.24344	1.9
402.32224	1.7
428.11923	2.7
465.20969	3.4
472.05661	2.1
480.16669	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	465.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02141	0.5
59.01373	3.2
61.98815	1.0
67.47805	0.5
69.18577	2.5
71.01368	1.8
76.57422	0.4
85.02908	0.5
89.02451	1.2
93.03449	2.0
95.01373	0.7
98.22546	0.8
105.03464	1.0
107.01395	0.8
107.05011	0.6
109.02946	1.6
110.74417	0.4
111.00920	0.6
113.02425	0.7
117.03415	0.8
119.03459	0.6
119.05019	0.6
121.02955	3.8
123.00872	1.6
123.04524	1.7
124.01682	1.8
125.02456	4.6
135.04549	1.2
137.02441	4.1
139.03983	1.0
145.02936	1.9
148.01715	0.6
149.02446	5.6
151.00432	0.7
151.04022	2.7
161.02429	1.0
162.03198	1.1
163.04008	1.2
164.01151	1.5
165.01926	10.1
167.03502	1.1
167.10786	0.9
168.00618	1.9
169.01436	4.3
173.02400	0.9
175.00313	0.6
177.01926	1.2
179.03461	1.6
185.44762	0.4
189.01877	1.0
190.02725	0.6
191.03519	1.8
192.00594	1.1
193.01413	100.0
194.01794	2.5
195.02913	1.1
203.03342	0.5
205.01385	0.8
206.02187	1.0
207.02994	7.8
211.02505	4.3
223.02499	1.4
235.02467	10.7
236.02838	0.7
271.04623	2.4
281.47125	0.4
295.04688	0.9
313.05655	21.0
314.05984	0.6
370.12860	0.5
405.21185	1.2
459.77621	0.5
465.06714	82.2
466.07089	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	465.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94046	0.9
59.01359	4.3
61.98798	0.9
71.01378	16.8
72.99305	3.0
73.02960	1.0
79.87125	0.9
88.40669	0.9
89.02442	3.3
101.02440	1.2
107.01406	1.1
115.00371	41.4
117.01924	2.1
119.03482	1.3
123.00888	3.9
125.02431	9.9
126.86630	0.9
133.01424	100.0
134.01817	1.6
137.02422	1.7
139.00363	1.0
141.01912	2.1
146.77454	1.1
151.00342	3.3
167.03432	1.5
167.97177	0.9
169.01427	13.8
177.01941	2.1
188.69414	0.8
211.02467	1.8
271.04587	2.0
326.05319	0.9
331.06662	27.9
331.10696	1.4
465.12405	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	465.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25242	0.9
59.01378	4.3
60.21962	0.8
62.09004	0.8
64.84376	0.8
71.01385	15.0
72.99306	3.7
81.04974	0.9
87.94305	0.9
88.00140	0.9
89.02446	4.2
115.00372	43.0
116.00645	1.0
120.37122	0.8
123.00890	2.1
125.02447	7.9
132.22528	1.0
133.01427	100.0
151.00336	2.2
169.01418	13.2
198.12248	0.9
211.02434	2.8
228.40611	1.0
241.03502	1.6
271.04391	1.6
331.06696	21.1
452.71884	1.1
465.12048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60047	0.6
59.01380	5.7
61.98826	3.7
63.97353	0.8
67.27390	0.7
71.01375	10.3
73.02949	2.6
75.00886	0.7
77.40020	0.8
81.03452	0.9
83.01393	1.4
85.02948	4.4
89.02433	2.1
95.01390	0.9
96.60675	0.7
97.16355	0.7
99.00874	1.3
101.02436	4.5
107.01385	1.8
108.02164	24.5
108.15833	0.8
109.02949	59.6
111.00922	1.0
113.02444	4.7
119.97758	0.7
121.02938	1.2
123.00914	1.2
123.04518	22.1
124.01668	1.2
125.02412	2.3
135.00954	1.1
137.02451	1.5
139.04027	3.1
139.08109	0.7
139.45551	0.8
151.00331	0.7
151.04016	3.5
152.00157	0.8
152.01147	54.3
153.01930	100.0
154.02299	2.0
155.39195	0.7
161.04599	1.6
163.04031	1.7
165.01974	0.9
167.03490	46.3
168.03880	0.9
169.01460	1.2
177.01959	1.9
179.03581	3.8
195.02959	3.0
206.80927	0.9
237.03758	0.9
239.74158	0.8
239.77411	0.8
241.05511	0.8
297.06143	98.1
298.06473	3.1
303.05383	1.0
303.08664	10.6
333.19174	3.5
377.10718	1.3
392.99619	0.7
421.11389	7.1
465.10278	68.7
465.23978	2.6
466.10568	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	465.1036
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
50.92984	0.4
57.03435	0.5
59.01374	2.8
60.86915	0.4
61.98586	0.4
61.98825	4.3
69.03459	3.3
69.60086	1.9
71.01358	1.9
71.45918	0.4
72.99331	0.4
73.02912	0.5
73.31568	0.4
78.95902	7.5
79.01898	0.9
81.03446	1.1
83.01377	2.2
85.02962	1.2
89.02427	1.0
91.12429	0.5
94.98077	1.0
95.01360	1.7
97.02960	3.9
99.00905	0.6
101.02425	0.9
101.92857	0.5
107.01388	2.0
108.02145	1.0
109.02946	0.9
113.02421	0.8
121.02898	1.3
123.00880	7.5
123.04504	2.3
124.01664	18.0
125.02445	53.6
126.02782	1.1
136.01672	1.0
137.02431	4.9
149.99577	36.3
151.00336	2.6
151.04012	3.9
161.04510	0.6
167.03404	0.9
168.00635	59.2
169.01422	4.8
248.80663	0.5
251.12880	0.6
267.15945	1.4
313.05688	2.9
341.08725	0.8
415.85376	0.5
429.20886	0.7
433.63736	0.5
447.09326	2.9
465.10278	100.0
466.10715	5.9
471.98935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
50.98023	1.0
57.03441	3.1
59.01374	62.8
60.01717	1.5
61.98825	22.9
71.01375	24.7
72.01709	1.6
72.85546	1.1
72.99306	2.0
73.02942	6.9
75.00869	10.2
78.91881	4.3
81.03442	1.5
83.01392	4.7
85.02950	9.3
87.00825	1.4
89.02440	21.0
90.02804	1.4
93.03458	10.9
95.01407	3.5
97.02953	1.6
99.00870	3.4
99.41164	1.0
101.02441	17.3
107.01443	1.7
107.05032	1.6
108.02171	2.0
109.02947	15.1
111.00866	2.6
113.02451	11.6
116.92879	2.0
119.03508	6.3
121.02972	2.6
122.03710	1.4
123.00897	3.2
123.04520	5.1
124.01658	27.8
125.02444	30.5
125.09673	1.7
126.02779	1.3
127.00415	1.8
131.03519	1.8
135.04498	1.1
136.01678	7.7
137.02446	19.7
137.06087	2.1
138.03229	30.2
138.05542	2.0
139.00365	3.2
139.03981	3.4
140.01097	1.5
142.15001	1.0
143.03510	2.7
147.04491	1.4
149.02438	4.5
149.04584	1.7
150.03255	3.1
151.00397	3.6
151.04027	4.2
152.01147	28.0
152.02351	1.8
153.01932	25.7
154.01468	2.1
154.99869	2.7
161.02509	1.7
161.04543	6.7
163.03996	4.3
164.01146	2.2
164.03554	3.6
165.01926	3.9
166.02711	21.7
166.99857	2.4
167.03499	4.6
168.00647	5.6
169.01416	4.7
175.04073	1.7
177.01970	4.2
178.02644	7.2
178.99876	3.6
179.03522	5.6
179.05611	4.6
180.00636	45.4
181.00938	1.7
181.05110	4.5
182.02226	3.0
183.03024	5.0
185.11784	5.4
189.05574	2.0
191.03572	2.4
192.00639	9.1
193.01405	14.1
193.05008	2.5
194.02098	5.7
194.99339	20.8
195.02974	14.4
196.03772	10.1
197.04547	1.8
201.94543	1.1
205.01491	4.0
206.02199	3.1
207.02966	6.3
208.00085	1.5
208.03809	2.6
209.00966	2.6
209.04753	1.5
210.01732	4.9
211.06163	2.1
217.04974	2.3
221.00893	2.8
222.01651	9.9
225.04048	17.5
232.03752	2.6
234.01653	6.1
237.04051	15.6
239.05582	4.2
239.07719	1.1
241.04944	1.1
249.04027	6.5
250.04768	1.8
255.05069	10.3
259.06143	3.4
261.04279	1.1
267.05151	1.6
269.06488	1.4
275.05630	1.8
276.03217	1.5
285.04041	5.9
294.03781	1.8
297.06165	6.3
303.05096	3.0
303.13403	2.0
305.18002	1.2
309.06070	2.6
312.04791	12.4
313.05585	2.3
327.07187	64.1
328.07498	3.1
330.05991	2.6
333.19034	1.7
345.08264	14.4
377.10739	1.4
405.21405	5.7
421.11420	4.5
421.21069	2.0
423.22751	1.4
429.13904	2.3
437.10742	2.8
447.09332	3.3
450.07996	3.3
465.10419	100.0
465.23807	26.0
466.10553	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1037
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03452	7.3
59.01376	23.0
62.46202	0.7
65.00328	2.5
66.24954	0.8
69.96996	0.7
69.97330	2.0
71.01385	2.3
73.12369	0.7
81.03480	1.0
83.01394	5.3
89.02426	4.1
89.57196	0.7
95.01384	1.6
105.03498	0.9
105.40543	0.7
107.01382	4.2
108.82534	0.7
109.02959	3.6
113.02431	1.2
119.03483	1.3
121.02940	1.5
123.04536	5.4
124.01685	1.3
124.11132	0.9
125.02445	92.8
126.02762	2.2
133.02953	2.8
137.02480	1.5
139.03995	2.5
141.03995	0.8
145.69167	0.9
147.04538	1.2
149.02437	8.5
149.09749	0.8
150.03255	1.9
151.00368	30.4
151.03979	3.6
152.01102	3.1
153.01932	18.4
153.03110	1.5
163.00380	6.3
165.01942	1.3
169.01436	1.8
171.04628	1.3
174.03188	1.7
175.04002	15.6
176.01140	5.0
177.01938	21.2
178.99867	15.1
181.01430	3.2
181.99387	0.8
185.06111	1.3
188.03008	0.7
188.04826	1.8
189.05579	3.3
191.03438	1.4
193.01422	1.9
193.05043	1.0
197.06209	0.8
199.03998	8.1
201.01950	2.2
213.05461	1.8
216.04272	1.3
217.05086	10.6
241.05064	7.4
243.03110	1.6
257.04462	2.4
259.06076	3.7
267.02969	1.2
275.05640	9.7
284.03226	2.2
285.04037	95.7
286.04398	3.7
303.05096	100.0
304.05408	4.3
313.05753	1.1
315.07236	1.4
341.05093	2.0
405.21414	0.9
447.09225	3.5
465.10556	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	465.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44381	0.7
57.03454	1.2
59.01377	9.8
61.98823	1.8
62.97679	0.6
71.01392	4.8
72.99304	19.2
73.02946	2.2
75.00873	0.8
83.01376	1.2
85.02972	2.0
89.02429	0.8
91.72708	0.9
93.03452	71.0
94.03815	1.1
99.00862	1.0
101.02413	3.2
107.05083	0.7
109.02948	1.4
111.00881	1.0
113.02455	1.4
123.00796	0.8
123.04494	1.3
124.01656	8.9
124.02495	1.1
125.02455	1.7
136.01657	2.0
137.02440	100.0
138.03262	12.3
139.00302	1.0
139.04024	0.8
148.01640	0.9
149.02354	0.8
150.03311	0.9
151.03940	0.9
152.01160	9.0
153.01854	1.1
153.05522	1.2
157.50375	0.7
164.01109	1.6
166.02681	5.7
167.03500	1.0
168.00620	2.0
177.01874	1.0
178.02669	4.6
180.00629	18.5
181.05061	1.2
182.02176	1.0
183.02943	2.6
190.02638	1.5
192.00673	3.7
193.01376	5.1
194.02229	3.6
194.99339	8.5
195.03017	4.2
196.03856	3.5
197.04543	3.1
205.01405	3.6
206.02240	1.3
207.02948	1.6
208.03665	1.6
208.70575	0.8
209.00917	1.5
210.01657	1.2
211.06027	1.0
221.00925	1.6
222.01692	6.5
223.02441	1.3
225.04027	6.7
232.03693	1.4
234.01764	5.2
237.04027	11.1
240.02536	0.8
249.04010	6.4
250.04797	1.5
255.05022	4.7
267.05127	2.2
294.03845	1.7
309.06189	3.6
312.04877	11.4
318.02814	1.7
327.07193	83.3
328.07501	2.8
345.08246	2.8
393.24817	0.8
403.23416	2.3
429.21533	0.9
465.10193	8.3
465.22934	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	465.1035
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
57.03439	1.7
59.01377	5.3
61.98833	4.2
65.00311	0.5
69.37763	1.3
69.38166	1.1
71.01378	3.8
73.02944	0.9
78.91869	0.4
79.66194	0.4
80.91676	0.5
81.03456	1.2
83.01369	1.3
83.80300	0.4
83.80795	0.5
85.02967	1.2
89.02439	2.2
93.03456	1.3
95.01385	0.7
101.02431	1.9
107.01412	0.9
107.04988	0.5
108.02170	10.6
109.02949	72.5
110.03293	1.0
113.02468	1.6
119.03535	0.9
121.02956	0.8
123.00906	0.5
123.04527	3.2
124.01647	3.0
125.02447	9.2
135.04510	0.4
135.89182	0.4
136.01611	0.5
137.02480	2.7
138.03227	2.6
149.02507	0.6
150.03183	0.6
151.00386	1.9
151.04019	1.2
152.01141	12.0
153.01932	100.0
154.02269	2.5
158.87189	0.4
161.02437	0.6
161.04576	0.4
163.04095	0.7
164.01262	0.5
164.03551	1.8
165.01996	0.5
165.05675	0.4
166.02696	1.9
167.03491	6.5
168.00604	0.9
168.81781	0.4
169.01399	0.6
175.04012	0.9
177.01930	1.4
178.02643	0.5
178.99892	0.7
179.03577	0.4
179.05634	0.6
180.00644	4.3
183.02985	1.0
191.03456	1.1
192.00633	3.0
193.01430	2.2
193.05064	0.5
194.02219	0.9
194.99341	2.1
195.02972	1.4
196.03783	1.1
207.03008	1.6
209.04579	0.6
210.01834	0.7
217.05052	0.9
222.01591	0.9
225.03984	2.1
232.03970	0.5
234.01624	1.3
237.04044	0.9
239.05637	0.7
241.05014	0.5
249.04012	1.2
249.06255	0.6
255.05077	1.5
259.06058	1.4
275.05771	0.6
285.03931	2.4
297.06122	1.9
303.05130	1.0
309.06155	0.6
311.07629	2.4
312.04831	1.1
315.07288	0.8
327.07156	7.5
345.08081	1.2
369.08218	1.3
421.11322	0.7
427.12198	0.6
427.19382	0.4
437.10980	1.5
442.34006	0.6
465.10330	27.5
465.23441	1.4
466.10495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
59.64935	0.8
60.45681	1.0
61.98822	4.2
62.96820	1.0
69.63396	2.3
71.01377	21.1
72.99319	3.8
73.02940	1.5
88.98804	1.2
89.02437	5.3
92.00037	1.0
96.96001	1.6
98.21922	2.1
101.02413	1.8
110.05643	1.0
113.02477	1.2
115.00375	43.8
123.00923	1.4
125.02451	13.7
133.01427	100.0
137.02429	1.8
139.04001	1.9
161.71230	1.1
169.01401	12.2
177.01962	3.0
193.39323	1.0
211.02470	1.7
241.03522	2.4
242.97372	1.8
271.04581	2.6
274.96417	2.0
295.10318	4.2
331.06641	4.9
381.06128	1.1
405.02948	3.9
465.11975	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	465.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74081	0.6
57.03447	4.4
58.00621	0.7
59.01377	57.1
61.98817	3.6
71.01010	1.0
71.01376	15.8
72.97524	1.3
72.99294	2.6
73.02910	2.3
74.99110	0.8
75.00469	0.8
75.00870	10.4
83.01373	1.7
85.02944	10.7
87.00867	3.1
88.13837	0.6
89.02431	10.7
93.07062	1.1
95.01369	3.4
95.05008	3.0
99.00878	5.5
101.02431	5.6
109.02928	2.5
109.06594	0.8
111.00859	1.0
111.08154	7.4
113.02446	13.8
115.00365	1.1
116.92847	1.3
117.01934	1.7
118.98054	2.7
119.03522	4.0
123.04519	5.8
124.01640	1.1
125.02425	6.7
127.16400	0.7
128.75629	0.7
129.01917	1.1
131.03519	0.9
134.03685	0.7
135.08139	2.0
137.02411	1.3
137.06017	1.6
139.04013	3.7
143.03482	0.7
149.02469	1.1
149.09691	2.4
151.00371	1.5
151.04013	2.1
153.01868	1.3
153.09190	4.3
155.07111	11.4
161.04532	2.5
163.04071	0.8
164.01236	1.0
165.01927	1.0
167.10747	5.2
169.01431	2.0
170.01807	0.7
171.10294	3.9
175.00429	0.8
175.02411	1.2
177.01881	1.0
178.02625	0.9
179.03551	3.5
179.05597	3.6
193.01443	1.7
193.05022	0.9
215.09172	2.1
231.05038	1.2
243.15916	1.5
249.06111	12.1
267.07169	5.2
267.15976	2.2
285.04010	4.7
285.12640	1.0
289.12955	3.3
303.05023	3.4
303.08685	10.5
313.05618	0.9
336.26245	0.8
403.16016	3.7
405.14017	3.8
405.21307	9.9
429.13965	1.2
447.15051	2.0
465.16028	100.0
466.16348	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	465.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01380	80.6
59.75404	2.6
61.50724	2.0
61.98820	17.6
62.25090	2.0
65.00310	6.8
71.01382	34.9
73.02549	3.5
73.02943	47.4
78.91885	9.4
82.95405	5.3
83.01395	10.8
83.05015	6.0
85.02927	8.8
87.00871	3.4
89.02454	13.8
93.03446	2.2
99.00872	5.2
99.27472	2.1
101.02438	33.7
107.01390	6.7
108.02158	5.0
108.55482	2.1
109.02963	18.4
110.19737	2.1
112.99956	2.0
113.02447	16.2
119.03507	5.5
121.02948	43.7
122.03731	7.9
123.00891	6.2
123.04529	13.1
124.01658	4.1
125.02443	12.8
137.02382	5.2
137.09702	10.5
143.03506	2.6
145.02936	8.5
150.03197	6.5
150.99147	2.7
151.00366	39.8
151.04005	13.3
152.01132	4.2
153.01938	29.1
155.10791	31.3
161.04541	5.6
162.03078	2.2
165.05539	5.6
167.03520	2.7
169.01416	4.3
177.02020	2.8
178.99838	2.6
181.08669	5.2
193.01389	22.8
199.09756	63.5
213.45874	2.4
217.10803	2.3
232.96486	2.5
239.05609	4.3
247.59602	2.2
255.05182	3.1
273.06940	3.6
285.04037	19.7
297.06183	6.0
303.05042	7.3
313.05661	3.3
321.15402	5.9
334.99680	2.4
343.08017	5.0
377.10538	9.1
379.15982	8.1
382.48624	2.2
405.21252	15.6
421.11328	21.4
421.17050	100.0
422.17587	4.9
465.11523	23.8
465.18271	4.9
465.24136	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	465.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93087	0.9
57.03422	1.4
58.42393	0.7
59.01378	6.0
60.38483	0.7
60.59076	0.8
61.98822	5.5
62.42073	0.7
69.42575	3.8
71.01381	7.3
73.02931	3.3
83.01385	1.7
83.05077	0.9
85.02953	3.6
87.04508	3.4
89.02425	1.3
97.06567	0.8
98.21919	1.7
99.00834	1.1
101.02415	4.5
108.02174	1.9
113.02454	2.2
121.02931	1.9
124.01653	12.3
137.02440	1.6
138.03204	2.4
139.03955	1.1
139.89429	0.8
151.04063	1.0
161.04520	4.0
163.16264	0.7
177.01900	1.8
221.15569	1.2
223.16988	1.5
226.91315	0.8
239.16502	2.1
249.14986	2.6
265.14340	2.5
266.15219	2.3
267.15994	100.0
268.16412	3.9
333.13489	6.3
359.22226	1.6
377.23230	3.1
403.21216	1.9
421.22055	1.6
427.20038	2.0
429.21240	39.1
430.21674	2.2
447.20193	3.3
457.39246	0.9
465.18613	9.6
465.27045	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	465.2126
Annotation	Cardivin C
Peak:m/z	Relative Intensity
62.48050	1.7
64.46221	1.3
72.99274	3.1
75.00868	5.6
82.56539	1.4
84.36166	1.5
88.40736	1.3
105.01929	53.2
109.02950	2.5
121.02932	2.2
122.03736	4.9
123.00866	2.8
124.01662	4.3
136.01688	10.0
137.02393	1.8
138.03201	2.9
150.03220	9.2
151.00348	3.7
152.01192	4.0
162.03181	2.4
164.01201	2.6
164.04765	3.3
164.32524	1.7
165.01860	1.8
166.02736	2.1
199.01471	1.6
227.25465	1.5
231.21158	7.5
247.20613	4.2
259.20679	4.6
261.22275	3.8
272.83859	1.5
277.21759	1.7
280.94946	1.6
289.21716	4.1
293.21109	4.2
303.19699	4.4
305.21201	25.2
319.19135	1.7
321.20697	26.5
322.21158	2.2
331.23013	2.2
333.20679	38.0
335.22372	7.9
345.20502	1.8
347.22168	5.0
349.20197	16.4
361.20245	19.6
363.21741	6.8
375.21695	4.5
377.19495	11.3
377.23367	1.7
391.21289	6.4
393.23383	1.7
421.22247	4.3
465.21286	100.0
466.21344	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	465.2128
Annotation	Cardivin C
Peak:m/z	Relative Intensity
53.28292	2.1
56.10182	2.3
57.03439	4.4
59.01382	15.7
61.98837	15.8
63.99222	3.4
70.99687	2.1
71.01376	9.0
72.93160	2.2
73.02946	9.0
79.76674	2.2
85.02926	3.8
89.02406	3.4
93.03468	3.7
93.59544	2.4
95.01426	2.0
101.02451	8.9
108.02164	4.0
109.02956	12.4
111.08249	2.4
113.02443	2.6
121.02966	2.7
122.03700	5.5
123.00857	2.4
123.08147	3.8
125.02516	3.1
137.02437	8.4
137.06100	2.2
139.03978	4.2
149.02425	2.1
153.05550	3.4
161.04610	3.4
163.03955	2.8
177.01924	11.4
180.09433	2.0
181.01439	5.3
192.00610	6.7
193.01343	4.0
194.02191	2.8
196.03789	6.0
197.04533	8.0
207.02959	4.1
211.06059	4.3
222.57970	2.4
224.03226	5.1
235.09709	2.6
239.05600	31.2
249.11266	8.6
254.52104	2.1
267.15982	15.4
279.12314	7.3
289.16647	2.3
290.16983	5.2
299.07693	10.6
322.05341	2.2
330.19003	2.3
333.13461	3.3
333.20776	2.8
335.22269	20.9
337.56250	2.6
341.21262	3.8
357.28586	2.2
359.22269	25.4
375.21762	8.1
377.23325	51.1
378.23837	3.4
385.20453	3.2
403.21283	29.4
421.22421	21.2
422.21356	6.9
429.20996	8.1
447.20203	83.0
448.20651	3.9
465.21289	100.0
465.26633	4.8
466.21896	5.6
488.03616	2.4
494.23914	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	465.2275
Annotation	CHEBI:67289
Peak:m/z	Relative Intensity
57.03447	0.6
59.01374	0.7
61.60438	0.5
61.98826	0.9
63.08221	0.5
64.35038	0.6
65.03960	1.8
69.21096	1.2
69.21493	2.4
74.85092	0.6
76.68614	0.5
76.69020	0.6
78.44741	0.6
81.03417	0.6
81.29279	0.6
93.75842	0.5
95.01376	1.2
96.66206	0.6
98.91560	0.5
101.90810	0.5
107.05026	1.8
108.02194	3.2
109.02946	9.9
111.04507	1.3
117.93429	0.5
121.02960	4.0
122.03768	5.0
123.04536	0.7
124.01642	0.6
135.04512	4.3
148.05385	0.5
150.03189	1.3
150.06830	1.9
151.03996	7.1
154.02727	0.5
160.84245	1.1
161.02458	0.6
162.03212	1.2
163.04010	8.2
163.07614	1.0
164.04819	2.8
175.04068	0.9
177.05595	2.2
192.07967	1.1
196.03770	0.9
287.16684	0.6
301.18033	1.9
311.16504	1.2
313.18155	1.7
379.18585	0.8
379.22766	5.9
381.20889	1.3
405.20490	1.4
421.23938	1.5
423.21744	12.2
424.22235	0.7
448.20914	0.6
465.22784	100.0
466.23074	8.0
476.05365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.228
Annotation	Withaphysalin A
Peak:m/z	Relative Intensity
59.01364	1.1
62.92938	0.8
65.03948	1.1
68.36312	0.7
69.92306	2.5
95.01369	1.4
103.41256	0.7
107.05006	1.8
108.02176	14.3
109.02970	4.8
121.02921	3.5
122.03790	5.4
123.00865	2.7
123.04485	1.1
124.01659	33.7
134.03696	1.9
135.04514	2.6
137.02432	1.1
138.03201	1.0
149.02428	0.9
150.03194	3.6
151.03989	10.8
161.02437	0.9
163.03996	7.8
164.04810	3.3
174.03081	1.1
174.06760	1.2
177.05466	1.2
279.15964	1.1
301.18283	1.0
314.82834	1.0
372.47092	0.8
379.22711	1.0
395.22247	1.9
405.20709	1.8
437.23309	1.6
447.21710	10.5
465.22754	100.0
466.23160	6.7
471.69492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.6
59.01376	100.0
61.98803	1.4
69.43165	5.7
71.01379	29.2
71.05021	1.1
72.97534	12.9
73.02953	1.6
74.82124	1.2
75.00856	1.4
83.01392	2.2
83.04992	1.2
85.02951	5.4
87.00887	1.9
89.02439	46.5
94.28072	1.4
95.01389	2.1
96.95998	2.7
101.02437	17.5
109.02982	2.3
113.02451	13.5
119.03499	17.4
123.04522	3.6
125.02442	19.5
134.07362	2.3
134.97594	4.4
137.09691	1.7
139.03981	1.9
143.03525	3.7
149.02470	2.1
149.04521	1.8
149.09717	23.5
151.00374	5.6
151.04037	2.3
153.01907	3.9
161.04561	6.7
163.00214	1.5
165.01953	1.6
167.10771	42.4
169.01407	1.4
171.10289	1.6
175.03998	4.9
176.01129	1.6
177.01944	6.3
178.99904	2.2
179.03529	2.9
179.05605	13.6
193.01468	5.4
204.95309	1.5
207.13887	1.4
217.05121	1.9
225.14995	7.0
231.08034	1.2
237.88972	1.3
243.16028	3.7
275.05493	2.9
276.40533	1.3
285.04056	16.4
303.05038	16.1
303.08701	4.8
357.95926	1.4
405.21280	63.3
406.21667	2.7
465.06650	3.2
465.15549	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.1
59.01378	100.0
60.01706	0.7
62.95014	0.6
69.31139	1.0
69.31527	1.8
71.01382	14.6
73.02964	1.6
76.32082	0.6
85.02949	3.4
87.00878	0.8
89.02439	22.9
101.02434	8.5
113.02421	7.9
119.03504	10.4
134.07394	0.9
143.03543	2.7
149.04555	1.6
149.09709	17.9
149.10812	1.2
153.09215	6.3
161.04546	6.0
167.10768	24.9
171.10426	0.8
179.05621	7.6
181.18883	0.7
225.14984	5.2
232.28506	0.6
243.16066	3.0
405.21274	21.4
406.21362	0.9
465.06644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98010	0.6
57.03453	3.8
58.00652	0.6
59.01378	100.0
70.38548	0.6
70.38879	1.4
71.00812	0.7
71.01380	17.2
73.02957	0.8
83.01374	0.8
85.02924	3.3
87.00903	1.8
89.02441	26.1
95.01437	0.9
99.13510	0.6
101.02447	9.4
113.02454	8.3
119.03497	11.1
125.02454	5.5
131.03513	2.0
134.07416	1.0
135.08195	0.8
137.09723	1.2
139.07675	1.0
143.03465	3.3
149.04601	1.4
149.09720	15.7
149.10812	0.9
151.00372	1.2
153.02017	1.1
153.09203	6.1
161.04564	5.1
167.10770	28.9
177.01999	1.1
178.99773	0.8
179.05624	11.3
179.07127	0.7
207.13898	1.0
209.11862	0.8
225.14966	6.3
243.16022	5.2
285.04077	4.4
294.30246	0.7
303.05066	3.5
405.21265	29.1
406.21912	1.6
465.16412	2.6
465.23376	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	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01377	100.0
61.98829	10.6
69.03451	0.9
69.32173	1.5
69.32569	2.3
71.01378	36.2
72.99310	1.6
73.02921	3.8
75.00872	1.0
77.16165	0.7
81.03466	1.3
82.95422	1.4
83.01393	1.4
84.95133	3.7
85.02953	6.5
86.33975	0.8
87.00877	2.9
89.02442	48.0
90.02776	0.9
93.03453	1.1
95.01376	3.7
95.05017	0.9
96.96012	1.2
97.06593	0.8
99.00895	1.5
101.02438	20.6
107.01390	1.1
109.02914	4.1
110.06110	1.3
110.78436	0.9
113.02447	17.1
116.92812	4.2
119.03495	20.8
119.04299	1.2
121.02972	1.8
122.06090	1.1
123.00899	3.3
123.04507	3.5
124.01716	1.9
125.02438	5.6
125.09679	0.7
131.03535	2.7
134.49260	0.8
137.02469	2.6
139.04063	2.0
143.03471	3.4
145.03011	1.1
145.05103	2.4
148.01704	0.8
149.02454	2.3
149.04593	1.8
149.09756	2.2
151.00320	1.8
151.04027	2.1
153.01900	4.9
153.09210	1.9
161.02432	0.9
161.04552	6.0
163.00339	0.9
163.04031	1.0
164.01193	1.0
165.01884	4.6
167.03511	1.1
167.10840	2.7
168.00592	0.9
169.01457	3.0
173.02432	0.8
177.01944	0.7
179.03627	2.1
179.05595	23.9
191.01865	0.7
191.03543	0.8
192.00655	1.6
193.01402	31.3
194.01949	1.0
197.08238	0.9
207.02957	4.2
211.02527	1.1
225.14941	1.3
234.01486	0.9
235.02406	3.5
243.15990	5.5
255.11436	1.5
267.11490	0.9
285.04160	0.7
285.12680	3.7
297.06073	1.0
303.05334	1.4
303.08548	5.1
309.06015	1.0
313.05679	7.6
331.17529	1.4
375.20364	2.6
378.10986	3.6
405.21277	50.0
406.21851	3.1
415.89941	0.9
421.11768	1.4
465.06979	26.0
465.16537	3.7
465.23621	3.4
466.07083	1.4
466.17163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34956	1.1
57.03441	6.4
59.01379	100.0
63.94844	0.9
68.22346	0.9
68.42338	0.9
70.20840	2.1
71.01381	24.8
73.02947	2.6
83.01390	1.5
85.02940	4.5
87.00876	1.1
89.02444	32.0
89.65797	0.9
95.01447	1.3
99.00889	1.2
101.02439	14.1
108.02293	1.1
112.05310	1.3
113.02456	10.1
119.03499	16.4
125.02435	9.1
131.03513	1.9
132.04025	1.0
133.08273	1.0
134.07382	1.3
135.08154	1.0
137.09714	1.4
143.03500	3.0
149.04535	1.3
149.09718	20.7
151.00429	1.5
153.01952	2.8
153.08141	1.1
153.09193	5.6
161.04562	9.3
167.10767	39.2
168.04300	1.2
177.01903	2.3
178.99907	1.2
179.05608	11.8
207.13840	2.1
209.11829	1.4
212.64912	1.0
217.05069	1.2
225.14929	7.0
243.16022	6.4
275.05573	1.3
285.04019	7.5
303.05145	6.6
405.21301	47.6
406.21756	2.7
465.16220	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23429	0.4
57.03423	0.7
59.01377	100.0
61.98832	0.8
70.20067	1.1
71.01386	6.0
73.02936	0.5
78.91892	0.6
85.02962	1.2
87.00872	0.6
89.02444	10.9
94.93070	0.4
96.96035	0.6
101.02451	4.1
113.02438	3.0
119.03504	6.0
125.02470	1.1
131.03497	0.4
140.07228	1.4
143.03537	0.9
161.04607	2.2
167.10794	0.6
179.05621	4.4
182.08298	0.5
193.01526	0.8
258.55222	0.4
265.56088	0.5
324.03156	0.4
332.99109	0.4
405.21252	4.9
465.06244	0.5
465.16641	0.6
465.23788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2642
Annotation	Wilforol A
Peak:m/z	Relative Intensity
51.88901	0.4
81.03444	2.3
81.89787	0.4
85.83399	0.4
87.30919	0.4
89.79234	0.5
93.44093	0.4
108.02161	0.7
109.02943	1.3
110.03772	0.6
111.04491	0.7
111.11223	0.4
121.02969	0.7
122.02882	0.9
122.03739	16.4
123.00906	0.8
123.04528	5.7
124.01646	1.2
125.02419	0.8
135.04539	4.4
136.01689	0.5
136.05305	3.6
137.02422	4.1
137.06116	0.8
138.03223	42.5
139.04027	3.4
141.04102	0.4
148.05315	2.7
149.06085	2.5
151.03996	1.4
152.04755	0.6
160.05309	0.5
161.06049	0.6
162.06842	0.8
162.83891	0.9
163.03969	0.9
163.07584	1.1
164.04781	4.9
173.06081	0.5
175.07614	0.7
177.05585	0.8
178.06332	1.6
188.08403	0.9
202.09818	0.5
251.15527	0.5
253.27704	0.5
290.28357	0.4
311.20099	0.6
314.18829	0.5
325.21622	1.1
341.20944	0.7
363.23224	0.6
381.24261	1.3
388.23981	0.6
393.27847	1.1
403.26590	0.5
419.25992	0.7
421.27545	0.6
423.26328	0.6
423.81696	0.5
437.26904	6.8
447.25409	5.9
465.26413	100.0
466.26770	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	465.3006
Annotation	cholesterol sulfate
Peak:m/z	Relative Intensity
51.04144	0.4
52.22917	0.4
61.98820	0.8
67.64461	0.4
69.47526	1.4
81.03454	3.0
83.05013	0.6
89.02448	1.0
90.41228	0.4
93.03471	0.5
95.05033	0.6
98.21796	0.5
107.05025	0.5
108.02167	1.1
109.03023	0.5
115.05726	0.4
119.84077	0.4
122.03726	6.0
123.04519	6.8
135.04520	5.5
136.05272	3.5
137.06123	1.3
146.03712	0.4
149.06065	5.9
152.96591	0.5
160.84302	1.1
161.06110	1.6
162.06744	0.5
162.83952	1.1
163.07657	1.6
175.07693	0.8
177.09213	1.0
185.05977	0.5
185.37141	0.4
189.09341	0.6
191.10837	0.6
198.05748	0.5
205.12296	0.6
214.94688	0.4
219.13953	0.4
240.04305	0.7
241.05197	1.7
271.17200	0.4
293.17752	0.9
299.20184	2.2
313.21848	0.7
315.23221	0.9
329.25006	1.6
383.26093	0.7
390.35010	0.4
407.22620	1.6
421.31024	2.5
423.24936	4.8
465.30307	100.0
466.30750	7.0
490.44095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.8
61.98828	100.0
69.40227	4.8
71.01376	4.1
72.03796	0.9
73.02943	16.4
83.01375	3.1
85.02973	1.4
98.07628	0.9
101.02431	7.8
113.02432	1.0
116.45128	0.9
125.02431	1.5
139.57431	0.9
143.03479	1.6
152.13461	0.9
155.03546	1.3
155.10767	17.2
169.12369	1.5
170.95360	0.9
197.11835	4.8
203.05574	2.2
227.12878	1.4
271.75568	1.1
317.46832	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	466.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	91.8
70.96474	100.0
223.13211	64.4
236.40369	46.8
244.37219	48.0
251.12744	99.2
372.86316	59.2
467.24600	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68994	42.0
55.73373	51.0
61.98814	66.4
62.18202	42.7
71.43856	44.4
136.11497	45.5
167.14342	90.2
251.12909	100.0
335.01456	50.4
341.04376	57.8
375.04926	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	467.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62893	0.5
57.03450	0.9
59.01379	8.3
61.98821	4.8
62.70281	0.5
67.01883	0.6
69.03432	1.7
69.67572	0.7
69.67915	1.8
71.01379	5.5
74.99100	0.8
79.01888	1.3
81.03470	1.0
83.01359	1.9
85.02935	2.2
89.02454	2.6
95.01373	1.8
97.02946	1.7
98.21885	0.6
101.02435	3.2
107.01369	6.3
108.02171	22.0
109.02218	1.0
109.02956	19.3
111.00854	1.3
113.02441	3.1
117.40362	0.6
119.03522	1.1
121.02993	3.9
123.00880	9.7
123.04533	1.3
124.01658	8.6
125.02447	31.2
127.00393	0.5
131.03484	0.6
135.00818	1.2
137.02342	1.2
138.01967	8.8
138.03009	0.7
139.00362	1.5
139.04015	7.4
140.01157	1.7
141.01929	1.1
149.02426	0.9
149.09717	0.6
149.99579	0.7
151.00359	9.2
151.03966	2.0
152.01154	27.3
153.01932	17.6
153.05516	3.1
161.04514	0.7
163.04015	0.7
165.01869	1.7
167.03429	1.8
168.00621	4.6
169.01427	41.4
169.05035	9.4
170.01717	0.7
177.01923	0.7
179.03513	0.8
182.02139	0.6
191.05591	0.8
193.01451	4.1
193.98575	4.3
194.01657	0.9
194.99278	1.2
195.03030	3.0
197.04529	5.1
211.02461	5.9
225.04062	0.7
241.03493	2.2
245.07881	1.0
255.05017	1.7
255.55507	0.6
261.07669	0.8
297.03168	0.5
297.06128	3.3
306.20486	0.7
307.29111	0.5
313.05594	8.6
315.07190	10.3
327.40750	0.6
331.10428	2.6
423.09296	16.6
424.09686	0.8
431.15421	2.4
432.11319	1.1
449.07089	1.9
467.08109	100.0
468.08359	6.4
468.13089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01379	3.5
59.48243	0.6
61.41509	0.6
61.98835	3.6
67.86046	0.6
69.03445	2.0
69.93217	1.4
69.93531	0.8
71.01377	3.6
72.00676	0.6
73.02941	0.8
75.00867	1.0
77.75980	0.6
81.03447	0.9
83.01368	1.7
84.95097	2.7
85.02927	2.0
87.00864	1.1
87.86131	0.6
89.02366	0.8
95.01406	1.5
97.02916	2.0
101.02412	1.5
104.45267	0.6
107.01340	2.3
108.02153	2.8
109.02949	16.2
113.02454	1.4
115.00417	0.8
116.14027	0.6
121.02932	1.1
123.00104	0.7
123.00887	7.6
123.04527	0.9
124.01659	23.3
125.02448	47.3
126.02747	1.3
132.57549	0.6
134.92294	0.6
135.00818	0.8
137.02423	3.3
138.03215	0.7
139.00336	2.9
139.04016	3.0
140.01105	1.3
149.02422	1.2
149.99583	28.6
150.03163	0.6
151.00261	2.0
151.03989	0.8
153.01938	25.1
154.02518	1.4
155.03429	1.2
155.10730	2.4
162.46384	0.6
163.11540	0.6
165.01884	1.2
167.03404	2.0
168.00638	59.4
169.01404	8.1
171.10315	3.3
177.01962	0.7
178.99814	1.3
179.03444	1.0
183.02982	6.3
188.12303	0.8
189.01945	0.7
193.01402	3.9
195.02988	3.8
199.09610	0.9
211.02489	0.8
217.10779	3.6
225.03937	1.3
235.02531	0.6
255.05011	1.1
262.18283	0.6
287.07581	1.2
289.06952	0.9
291.14511	1.4
297.06094	6.8
313.05698	3.8
327.06973	1.5
331.06680	31.1
332.07034	1.1
333.15472	1.3
379.10361	1.6
413.41876	0.6
423.09152	4.6
449.07260	1.3
465.71204	0.7
467.08032	100.0
467.16940	8.8
468.08298	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	467.1191
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
53.94174	1.1
54.51933	1.1
57.03448	7.5
59.01375	2.3
66.45827	1.2
71.01344	1.2
71.44998	1.1
74.55270	1.1
79.07572	1.3
81.03444	1.9
83.01379	2.8
93.03463	1.6
95.01392	2.8
95.05008	1.8
96.96016	2.1
97.02981	2.6
109.02961	7.7
111.04520	7.4
116.25111	1.3
121.02943	4.2
123.00866	5.8
123.04553	1.9
124.01671	3.0
125.02449	92.0
126.02765	1.8
135.04506	1.3
137.02448	28.5
138.03232	5.7
139.04010	15.3
149.02403	3.3
151.04066	3.3
153.02007	1.7
159.04488	2.5
161.02446	8.4
161.08209	2.1
164.01180	7.2
165.01927	22.4
166.02580	2.7
167.03497	26.5
169.01465	4.7
175.04048	1.9
177.01949	6.0
177.05550	5.1
178.02718	1.7
179.03487	16.5
191.03380	1.4
193.01692	1.1
197.63477	1.1
203.03476	3.8
204.04247	3.1
217.04958	1.6
218.05917	2.0
219.06606	15.8
221.04514	7.0
243.06764	2.0
247.02437	1.2
259.05972	1.3
260.40155	1.2
261.07651	11.1
277.75583	1.3
287.05450	2.4
289.07425	1.3
305.06653	100.0
306.06934	1.6
329.08945	2.9
423.13376	2.1
467.12024	53.3
468.12512	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	467.119
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
57.03437	7.5
59.01375	3.2
65.85961	1.1
69.03454	1.5
70.73016	1.4
71.01389	2.3
72.50697	1.1
80.91668	1.6
81.03456	2.8
83.01376	5.8
88.74763	1.3
89.82152	1.3
93.03448	2.5
95.01400	1.9
95.05026	3.8
96.96020	8.0
96.96964	1.8
97.02946	4.0
98.96940	1.3
99.04536	1.1
109.02950	7.6
111.04523	6.9
113.02470	1.2
113.46472	1.1
121.02966	3.2
123.00877	6.3
123.04494	2.0
124.01658	6.0
125.02441	100.0
126.02830	1.3
135.04536	2.1
137.02437	37.1
138.03230	6.8
139.04013	20.3
149.02455	3.8
149.06111	2.6
151.04018	3.5
159.04556	2.1
161.02426	6.4
161.08165	6.7
163.04008	2.1
164.01151	9.8
165.01904	24.0
166.02629	1.7
167.03482	36.6
169.01393	1.9
173.06099	2.1
175.04004	3.7
176.04678	2.2
177.01961	4.3
177.05602	5.3
178.02753	2.3
179.03494	18.6
179.07072	5.4
191.03502	1.5
191.07147	1.8
201.05588	2.1
203.03513	6.0
204.04335	4.9
217.05179	1.5
218.05809	1.9
219.06619	20.5
221.04547	7.3
223.06102	2.4
237.07724	1.2
243.06694	2.1
245.04620	1.4
261.07626	16.2
287.05493	2.1
305.06662	90.8
306.07138	3.5
329.08768	6.7
385.11481	3.2
409.00912	1.2
423.12964	3.2
467.12009	80.1
467.17181	3.2
468.12445	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	467.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	0.5
56.20370	0.5
59.01378	3.6
59.45364	0.5
60.68126	0.5
69.50924	1.7
70.43970	0.5
71.01375	3.3
79.95669	0.4
80.02595	0.5
80.91639	0.9
81.03433	0.9
83.01346	0.6
85.02929	1.2
89.02428	1.0
90.33169	0.4
91.01856	0.8
91.82607	0.5
93.03441	0.5
96.96015	4.9
97.02890	0.5
100.32487	0.5
100.60189	0.4
101.02422	1.9
107.01377	1.1
108.02176	2.2
109.02952	28.3
111.00872	0.7
113.02412	0.9
118.72523	0.5
123.00874	1.2
123.04472	0.8
124.01645	1.0
125.02454	6.2
137.02432	1.8
138.03200	2.4
139.04015	71.0
140.04367	1.3
151.00381	1.2
151.03983	2.0
152.01158	1.5
153.01942	43.5
154.02289	0.8
167.03503	1.5
168.04170	0.9
169.01437	7.7
169.05063	100.0
170.05434	1.8
177.01927	1.3
195.02982	5.4
211.02519	0.7
212.87466	0.5
223.09740	0.7
225.04176	0.6
245.07938	11.4
245.10172	0.8
255.05086	5.5
263.07599	0.6
277.25394	0.6
297.06155	21.4
304.02328	1.5
305.03256	1.0
313.05740	1.5
315.07245	0.9
327.42700	0.5
331.10339	25.2
332.10681	1.0
423.09180	2.5
467.12344	62.4
468.12619	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	467.119
Annotation	Glochidionolactone F
Peak:m/z	Relative Intensity
53.70169	1.0
57.03447	4.8
59.01377	16.7
61.98831	8.9
68.99801	1.1
69.32784	5.5
71.01377	11.2
72.99311	3.0
73.02958	3.0
74.99136	1.1
79.99989	1.0
81.03454	2.4
83.01401	6.1
85.02947	5.1
87.00887	1.9
89.02465	5.5
95.01407	2.8
96.95985	0.9
97.02968	1.4
98.22600	2.2
99.00879	1.7
101.02441	6.8
107.01384	6.4
108.02171	3.4
109.02946	22.2
111.00878	6.4
113.02454	3.8
121.02968	1.8
123.00878	19.1
124.01662	43.6
125.02447	53.3
126.02798	1.7
127.00362	1.6
131.21167	1.0
136.98849	2.7
137.02446	4.1
138.03242	4.4
139.00375	22.9
139.01387	1.8
139.04010	22.3
139.99507	1.2
140.01140	13.3
140.02032	1.1
141.01918	1.3
141.98967	2.6
143.03511	1.2
149.02435	3.9
151.00343	2.3
151.03999	2.9
152.01213	2.6
153.01932	32.6
153.05666	1.5
154.02730	15.4
155.03499	12.8
161.04666	2.1
161.06007	1.4
165.01991	1.9
166.02789	1.2
166.99841	1.8
167.03502	8.3
168.00630	24.6
168.01949	1.8
168.04286	1.0
169.01411	11.3
169.05116	5.1
171.10338	3.6
177.01970	3.8
181.05063	2.0
182.02190	2.3
183.02974	53.5
190.02718	2.0
191.99164	1.3
192.00574	5.6
193.01472	4.2
197.04536	5.5
207.03058	3.6
225.04169	2.7
233.04535	5.9
237.61554	1.2
241.05069	1.3
261.13477	3.0
267.05338	1.5
274.97266	1.1
277.03668	1.1
279.24081	1.2
289.07208	1.2
297.06119	11.8
311.07709	5.4
312.05002	2.3
313.05716	2.5
319.04755	1.6
327.07196	19.3
331.06894	2.0
341.08734	2.9
377.10812	1.1
379.10571	14.2
406.22406	1.2
407.18597	5.9
452.09833	3.1
467.12076	100.0
468.12448	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	467.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91690	0.3
55.01870	0.6
57.03434	1.0
57.29789	0.3
59.01373	1.4
61.98836	0.4
67.96454	0.3
69.03449	5.4
69.15136	1.8
71.01376	2.7
72.74088	0.3
73.02946	0.9
79.01882	1.4
81.03451	1.5
83.01379	3.1
85.02949	1.5
89.02446	0.5
95.01389	1.0
97.02949	5.5
101.02422	1.5
104.07563	0.3
107.01402	1.9
108.02155	0.9
109.02967	3.4
110.03272	0.8
113.02441	1.5
121.02956	6.7
123.00871	3.6
124.01669	5.3
125.02444	100.0
126.02779	1.4
137.02426	2.8
138.03232	2.1
139.00325	0.5
139.03969	1.0
149.02441	0.8
152.01207	0.5
152.04829	0.4
153.01956	3.2
153.05565	5.3
154.02322	0.6
155.02388	0.9
155.03532	0.6
159.33578	0.3
166.99854	1.8
167.03459	0.9
168.00674	0.4
169.01306	0.4
177.01927	0.5
181.01402	2.9
182.02196	4.6
183.02959	2.9
191.38179	0.3
196.03812	0.6
197.04549	17.3
198.04834	0.4
211.06148	0.5
225.04138	0.6
261.15607	0.3
266.38281	0.3
269.06573	0.8
273.02991	0.7
274.03314	0.5
275.03534	0.4
281.06870	0.4
287.08014	0.4
317.02829	0.7
318.02811	1.2
319.03018	1.4
320.03326	1.9
326.06390	3.8
327.07080	0.7
341.08755	48.5
342.09280	2.2
380.04999	0.3
405.89722	0.3
467.11523	10.2
467.19879	0.6
468.11896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09845	0.8
59.01359	3.4
61.98845	0.8
65.82134	0.7
69.51971	2.6
71.01382	0.9
75.00873	17.9
89.02437	1.6
93.03421	0.8
95.01395	1.0
96.02161	1.1
98.22553	1.5
106.04281	1.1
109.02924	2.4
121.02957	1.5
122.03722	2.9
123.00861	1.6
123.04467	0.7
124.01650	2.4
132.05786	1.0
135.02988	21.6
135.05971	0.9
136.01654	6.9
137.02420	1.5
138.03200	1.9
146.07436	1.2
149.02388	1.5
150.03232	6.2
151.00330	5.0
152.01141	3.2
164.01154	3.0
164.04770	1.9
165.01859	1.8
166.02698	2.3
192.00797	1.0
192.04259	1.6
195.17545	1.6
203.18025	2.1
215.18164	0.8
219.17499	2.5
222.15080	0.8
231.17514	4.5
233.19087	3.3
249.18640	2.5
251.16537	0.8
261.18533	5.1
263.20074	1.2
265.18063	2.9
275.16504	2.8
277.18069	18.5
278.18518	2.3
279.19617	1.3
291.16266	1.0
291.19336	1.4
292.16855	1.7
293.17575	29.2
294.18091	1.1
303.16043	1.3
305.17560	31.6
305.20880	1.5
306.18283	1.1
307.19113	5.1
308.16187	1.2
313.52005	0.8
317.17325	2.2
319.15512	2.0
319.19067	2.2
320.16187	1.2
321.17032	14.6
321.20529	1.6
322.17648	1.2
323.18408	1.2
331.15463	0.8
331.19189	1.7
333.17053	21.0
333.20486	1.1
334.17410	1.4
335.18582	5.9
339.18048	2.7
347.18723	2.2
348.15652	1.2
349.16565	10.9
351.18103	1.9
363.18085	4.8
377.19690	1.0
379.17508	1.5
405.19034	1.0
407.16702	1.6
423.20264	5.7
449.18228	0.9
465.93152	0.8
467.19177	100.0
468.19467	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	467.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99063	0.9
56.60865	0.8
59.01376	2.4
69.48946	3.0
69.49325	1.7
71.01349	1.1
75.00870	19.4
89.02442	3.5
93.03527	0.8
95.13866	0.9
96.02164	1.2
101.80699	0.8
105.01883	0.9
107.01378	1.1
109.02937	2.6
117.01960	1.1
121.02952	1.6
122.03727	3.0
123.00864	3.3
124.01669	3.8
131.31525	0.8
135.03001	23.8
135.04533	1.5
136.01642	7.5
136.05249	1.3
137.02374	1.0
138.03223	2.4
146.07375	1.1
149.02464	2.4
150.03194	5.4
151.00385	5.6
152.01152	2.7
162.22469	0.9
164.01118	2.8
164.04781	3.3
165.01907	1.2
166.02725	1.5
168.74475	0.8
192.04268	1.2
195.17517	1.9
203.18082	2.6
219.17555	2.2
231.17514	5.0
233.19106	2.4
249.18642	2.8
249.67116	1.0
257.38818	1.1
261.18600	4.6
265.18091	3.7
275.16595	2.7
277.18097	19.3
279.19736	1.3
292.16879	1.2
293.17578	33.0
294.17987	1.4
303.15997	1.2
305.17575	36.8
306.17926	1.8
307.19131	5.9
308.16223	1.4
315.19324	0.9
317.17477	1.8
319.15381	1.9
319.18851	1.7
320.16263	2.0
321.17044	18.1
321.20682	0.8
322.17200	1.6
323.18552	2.2
325.67468	1.1
331.15472	1.0
331.19089	1.6
333.17059	23.1
333.20514	1.3
334.17068	1.1
335.18637	6.0
338.07187	0.8
347.18503	2.6
348.15881	2.4
349.16583	9.8
349.20367	1.6
351.18039	2.9
363.18063	6.5
379.17328	1.3
407.17047	1.9
423.20184	6.3
449.18204	1.3
467.19199	100.0
468.19547	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	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65197	0.7
57.78552	0.8
59.01368	2.8
63.61099	0.9
69.51171	3.4
69.88037	0.9
71.01363	1.7
72.99281	0.8
73.87797	0.8
73.88221	0.8
75.00873	21.5
85.57581	0.8
89.02444	2.7
93.03445	1.8
96.02176	1.4
98.21882	1.5
105.66071	0.9
107.01366	1.2
108.02171	0.9
109.02943	2.1
117.01900	1.5
118.81445	1.0
121.02967	2.0
122.03727	2.9
123.00890	2.6
124.01643	4.7
132.05847	1.4
132.41963	0.8
135.02998	23.3
135.04547	1.2
136.01678	9.2
136.05263	2.0
137.02470	1.7
138.03256	1.6
145.01437	1.1
146.07376	1.0
149.02446	2.7
150.03241	6.0
151.00357	5.3
152.01143	4.0
155.21272	0.9
164.01114	2.4
164.04770	2.8
165.01878	1.5
166.02698	2.5
178.02698	1.0
192.00682	1.7
192.04247	1.2
195.17529	1.9
203.18048	3.3
206.02126	1.0
215.17984	1.2
219.17514	2.4
231.17482	4.6
233.19064	2.6
249.18600	3.0
261.18665	4.8
264.17172	1.0
265.18008	4.6
275.16595	2.9
277.18094	19.8
279.19574	1.0
291.19604	1.0
292.16739	1.8
293.17566	29.6
303.16168	1.9
303.19574	1.1
305.17560	34.0
305.21057	1.8
306.18112	2.2
307.19162	7.0
308.15948	1.3
317.17654	1.0
319.15482	1.8
319.19104	2.7
320.16336	2.4
321.17053	16.3
321.20554	1.8
322.17572	1.5
323.18839	1.4
331.19064	1.3
333.17062	18.9
333.20569	1.4
334.17526	1.2
335.18536	6.6
345.16956	1.1
347.18637	2.7
348.15768	3.4
349.16519	14.3
351.18021	2.4
359.92242	1.0
361.20383	1.2
363.18042	5.3
375.17859	1.1
379.17404	1.1
379.21573	1.4
407.17151	2.8
423.20395	5.7
426.34167	0.9
467.19189	100.0
468.19446	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	467.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
59.01383	7.5
61.98819	4.7
65.12940	1.2
69.03467	5.5
69.78402	1.0
71.01383	16.1
73.02936	5.5
83.01385	3.0
85.02943	8.1
85.70963	1.1
87.00864	1.2
95.01360	2.8
98.76350	1.2
99.00876	2.3
100.89616	1.1
101.02451	13.2
110.54379	1.1
111.08148	1.5
113.02455	9.7
123.00884	32.4
124.01659	100.0
125.02418	3.3
137.02449	1.5
138.03210	7.5
139.04007	71.6
139.11284	20.5
140.04311	1.5
143.03458	1.8
149.02448	1.4
151.72711	1.1
161.04578	17.6
183.10255	73.7
184.10536	1.6
205.12411	1.4
225.11380	1.7
245.11775	2.2
248.99579	1.2
267.15991	21.0
269.17392	1.5
283.08167	1.4
301.09238	2.4
327.14548	2.2
429.21292	10.7
431.22061	2.5
467.19205	3.9
491.92871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01377	100.0
61.98827	5.9
69.03433	2.7
69.36021	4.9
71.01383	24.3
72.99305	1.3
73.02942	24.5
78.91887	2.3
81.03432	1.3
83.01381	1.8
85.02966	9.1
87.00885	5.9
87.04523	2.5
89.01920	2.3
89.02441	28.9
96.96007	1.6
99.00855	2.2
101.02444	33.3
103.04012	13.5
109.02905	1.8
113.02427	5.5
115.04002	8.4
119.03496	11.3
124.01685	2.1
125.02444	11.6
127.03973	1.4
131.03476	6.8
137.02467	1.2
143.03487	10.3
145.05040	5.5
153.01846	1.6
159.44295	1.1
161.04538	2.8
163.06116	59.3
171.10248	20.9
177.01903	3.6
179.05577	4.2
193.01448	1.7
197.04440	1.6
205.07167	18.8
206.07458	1.2
253.09274	2.6
265.09250	7.2
320.03613	1.1
327.06979	1.5
357.06213	1.3
407.19153	28.6
423.15164	1.3
449.06168	1.5
467.10919	8.0
467.21143	3.8
467.28146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2435
Annotation	Jaborosalactone P
Peak:m/z	Relative Intensity
52.51535	1.2
57.03447	3.0
61.98822	3.1
65.03964	2.4
67.01904	1.8
79.51926	1.0
95.01376	3.9
95.05006	1.6
108.02158	3.7
109.02951	10.3
121.02950	1.5
122.03748	2.9
123.04538	1.6
135.04474	3.2
137.02425	4.3
147.56503	1.0
159.94223	1.0
163.04015	3.8
301.18140	2.0
365.21167	4.1
367.19101	1.9
380.16602	1.3
381.24377	2.0
389.12793	2.3
407.13898	8.3
407.21994	5.6
409.20117	4.5
423.25720	5.6
425.23471	2.9
449.23364	6.2
467.24359	100.0
468.24689	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	467.2799
Annotation	Zhankuic acid A
Peak:m/z	Relative Intensity
57.03444	5.5
59.01379	1.5
65.03955	3.0
67.01880	3.8
69.03448	0.8
69.64682	0.9
69.65005	1.0
69.70712	0.4
75.00861	7.6
77.75497	0.5
78.95912	0.7
78.99318	0.5
81.03471	1.1
81.74684	0.5
83.05028	1.0
89.02462	1.0
93.03465	1.8
95.01391	6.7
95.05032	1.1
96.02213	0.9
97.02969	1.2
98.21883	1.1
106.04259	0.6
107.05025	1.2
108.02185	5.5
109.02950	19.3
109.06594	2.0
111.04524	2.0
121.02980	1.6
122.03736	9.7
123.00888	1.8
123.04506	1.8
124.01661	1.7
125.02478	0.6
135.03004	8.0
135.04495	4.6
136.01619	3.8
136.05269	1.2
137.02438	9.8
138.03220	1.9
147.04533	1.2
148.05263	0.8
149.06073	1.8
150.03223	1.7
151.00388	1.8
151.04053	1.0
152.01183	1.5
153.05573	1.0
159.04564	0.6
163.07643	0.9
164.01169	0.6
164.04820	1.3
165.01883	0.8
165.05568	1.0
166.02699	1.0
166.06308	0.9
170.02141	0.7
174.03378	0.5
177.09157	0.9
189.70580	0.5
195.17528	1.5
198.05374	3.2
201.58766	0.6
203.18033	1.2
219.17549	1.8
231.17552	1.7
233.19182	1.3
239.20193	1.5
249.18300	0.7
251.16309	0.6
261.18610	1.8
262.27521	0.6
265.18060	1.3
273.18518	1.0
275.16599	1.3
277.18066	7.5
277.91461	0.5
278.18567	1.0
279.19424	0.6
287.20132	0.8
289.21677	0.6
290.95517	0.5
291.19507	0.6
293.17569	12.9
294.17947	0.7
299.20148	1.5
301.18774	0.6
301.21719	4.4
303.16006	0.8
305.17542	14.0
305.20901	0.7
306.18161	1.3
307.19064	2.2
307.22531	0.7
315.19690	0.8
315.23459	0.9
317.17712	0.7
319.19150	1.2
321.16974	5.6
323.18683	0.8
330.41916	0.6
333.17072	8.3
334.17505	0.6
335.18539	2.0
339.17896	0.6
347.18500	0.9
348.15491	1.0
349.16507	4.8
351.18115	1.3
363.18073	2.2
365.24979	2.8
367.22903	0.7
381.28073	0.9
391.23010	1.3
395.24332	2.4
407.17035	1.0
407.25937	0.9
409.23776	6.9
410.24298	0.9
423.20197	1.6
423.28781	1.3
425.26682	0.9
435.25522	0.9
449.26877	2.9
467.19220	33.7
467.27963	100.0
468.19467	1.9
468.28461	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	468.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01374	0.7
61.98827	100.0
63.57109	0.3
69.19376	0.8
69.19785	0.6
71.01381	0.4
80.91698	0.3
85.46629	0.3
89.02444	0.3
98.21905	0.7
112.57137	0.3
117.05589	0.3
119.03444	0.3
124.01666	0.7
125.02447	5.7
137.02484	1.1
139.04027	0.4
150.99959	0.3
153.02022	0.4
161.02454	2.3
166.05052	1.5
168.00655	0.6
169.01334	0.4
183.03023	0.5
287.05710	1.2
288.06052	0.4
289.07224	0.3
305.21207	0.3
319.08713	0.3
429.37949	0.3
468.08044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02860	0.7
57.30435	0.7
58.57103	0.8
59.01376	1.2
61.98828	100.0
62.15227	0.6
65.67519	0.7
76.08675	0.6
110.29707	0.8
111.93105	0.7
169.82553	0.7
209.66066	0.7
286.01175	0.8
494.20602	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	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
69.40224	39.4
69.40633	34.0
71.01366	22.3
73.02926	21.4
98.22631	22.6
108.22335	13.9
110.38578	13.4
169.20947	13.5
307.15256	18.4
475.58948	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	468.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
57.03424	1.1
59.01376	28.8
61.98830	9.9
68.80212	0.7
71.01379	22.4
72.99287	0.7
73.02950	4.6
74.73353	0.8
74.99086	1.2
78.91889	0.8
80.59451	0.7
80.87119	0.8
80.91690	0.9
83.01379	2.1
85.02956	8.1
86.02473	16.0
87.00861	0.9
89.02441	14.5
95.01372	1.7
96.96021	3.6
99.00877	1.9
101.02438	16.5
108.02197	1.2
109.02968	1.2
111.00880	1.1
113.02453	8.9
113.04314	1.1
115.98743	0.8
119.03505	7.2
123.00807	0.9
125.02448	4.5
126.02773	1.0
143.03383	1.0
152.66341	0.8
153.01875	1.6
157.07011	0.8
159.02972	1.5
161.04590	5.5
169.01456	3.6
170.01793	1.5
188.03413	0.8
200.09138	0.8
201.09587	2.8
217.05075	0.8
219.10602	23.9
220.10844	1.3
245.01059	0.9
263.05664	2.1
279.60995	1.0
310.39917	1.0
347.17145	1.0
381.15866	34.9
382.16345	1.9
424.09583	1.9
468.08929	5.1
468.19034	100.0
469.19464	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	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44033	0.2
57.03451	0.4
59.01379	2.3
60.01702	0.4
61.01816	0.4
61.98829	100.0
62.55718	0.2
71.01389	0.3
78.91901	0.9
80.91674	1.5
87.00868	0.3
89.02444	0.4
101.02434	0.5
109.02973	0.2
114.02834	0.2
119.03519	0.2
121.03004	0.3
124.01694	0.2
125.02456	1.9
126.02784	0.2
137.02478	0.8
138.03293	0.2
139.04018	1.1
157.60715	0.2
165.01938	0.4
167.03526	0.3
167.10849	0.2
168.11151	0.2
169.01379	0.5
177.01889	0.2
180.07913	0.2
225.07741	0.3
240.96417	0.3
247.05928	2.2
262.04449	0.3
265.05801	0.4
305.06781	0.5
306.06940	0.9
355.87018	0.2
408.22311	0.6
409.11005	1.2
431.15430	0.4
432.16098	0.8
468.12732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80087	1.2
61.98818	2.4
65.99824	1.2
69.64898	1.4
70.67025	1.5
80.05045	5.0
81.03429	1.9
84.04530	2.9
95.01350	1.4
95.80226	1.1
96.00886	1.3
96.04567	2.3
98.02511	1.2
107.03752	1.4
108.02158	4.8
108.04551	19.1
109.01680	2.1
122.02480	2.7
122.03743	4.7
122.89462	1.4
123.00880	8.2
123.04517	1.4
124.00401	9.3
124.01635	3.5
124.04072	3.0
136.01671	4.2
138.01938	1.7
140.07195	6.2
149.04843	1.9
150.03200	1.3
151.02722	1.5
152.03503	3.5
166.05046	1.3
193.04001	1.5
195.17503	4.6
207.05333	1.7
209.19119	1.4
219.17503	3.9
221.19009	1.2
228.89851	2.3
236.20114	2.1
249.18759	1.4
251.20091	3.7
260.23853	2.1
263.16510	9.2
265.18103	3.5
274.21771	2.6
276.23376	9.3
277.21689	14.9
278.17520	4.0
280.19144	3.1
297.23355	1.6
302.21216	2.2
304.22809	100.0
305.23102	5.3
310.93433	1.2
320.22211	5.6
336.25388	14.6
338.19601	2.7
348.21774	49.2
348.25415	1.9
349.22263	2.1
362.23358	3.5
371.06982	4.3
380.24274	1.6
392.15787	2.8
392.20746	50.7
393.21167	3.4
424.23288	3.6
436.19745	9.7
468.24884	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	468.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45553	1.0
50.89816	1.3
61.98827	100.0
63.69662	1.2
69.55296	4.0
78.95902	14.5
93.55413	1.1
96.96975	2.5
98.21909	2.2
152.99591	24.0
153.99934	3.8
164.83592	3.7
229.86737	1.4
275.93195	1.3
294.17960	1.2
306.17770	1.8
320.20023	3.2
334.17477	1.3
382.35736	1.1
409.23291	2.5
410.23840	5.1
468.19537	10.4
468.31345	1.4
469.19089	2.3
493.95670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
75.00859	1.7
101.90958	0.8
122.70786	0.8
124.01742	0.9
135.02960	2.0
174.90562	0.9
243.62039	0.9
247.31558	0.9
278.18555	1.1
294.17859	1.5
306.17920	2.9
322.17239	1.1
334.17197	1.7
350.16736	2.1
420.55270	0.9
468.19308	10.6
468.31931	7.3
469.22385	1.3
469.29678	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	469.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.0
58.50876	0.3
59.01377	2.8
61.98819	0.4
71.01374	0.6
81.03041	0.3
81.03439	1.7
83.01378	3.4
83.67645	0.3
89.02441	0.4
95.05017	1.5
98.22678	0.6
101.02451	0.7
101.57845	0.3
105.03462	4.5
109.02979	0.8
121.02915	0.6
122.03716	0.7
123.00949	0.4
124.01690	0.4
125.02442	100.0
126.02757	1.8
133.02968	1.1
137.02438	5.5
137.06081	1.4
149.02415	1.2
161.02438	42.4
162.02910	1.2
165.01918	2.3
166.02736	0.7
175.03990	0.5
177.05571	3.3
181.05061	2.0
181.22412	0.3
182.96117	0.4
183.04428	0.4
185.02492	0.4
197.06042	0.5
199.04016	0.4
201.05536	1.8
203.03497	0.6
213.05598	0.3
217.05074	0.4
219.06613	0.9
225.05676	0.5
227.03528	0.6
229.01488	0.6
241.05025	0.4
243.06590	0.9
245.04407	0.4
265.14496	0.6
269.04526	4.0
285.21078	0.3
287.02499	0.7
287.05582	9.1
303.08771	1.3
307.15091	0.4
318.82324	0.3
331.08173	0.6
407.11411	0.6
431.22662	0.6
437.73444	0.4
469.11090	0.6
469.20331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79519	1.3
54.15371	1.2
57.03435	7.3
59.01374	13.1
61.98832	10.1
65.00301	1.3
68.08808	1.2
68.09225	1.0
71.01385	3.3
73.02951	1.3
81.03467	3.8
82.95410	4.4
83.01388	5.6
83.05052	1.2
83.26991	1.1
86.30833	1.3
89.02417	1.4
93.03457	2.6
94.98096	2.4
95.01386	1.7
95.05019	3.2
96.96017	1.8
97.02956	5.6
101.02442	2.7
109.02951	20.3
111.00897	1.2
113.02446	1.8
121.02972	7.4
123.00882	3.0
123.04552	15.5
125.02444	57.7
126.02824	1.2
133.02908	1.4
135.04507	2.7
137.02448	31.5
137.06026	1.6
138.03215	3.5
139.00414	1.4
139.04013	3.4
145.02962	12.9
146.03748	2.8
148.05203	1.6
149.02458	5.7
150.03206	1.3
151.00371	1.2
151.04042	9.1
152.01187	1.5
153.01913	1.6
153.05588	3.6
157.06535	1.6
159.04541	5.4
160.05269	1.7
161.02432	4.4
161.06036	6.4
164.01257	1.6
165.01936	16.2
166.73419	1.2
166.99831	2.6
167.03519	5.0
169.01410	1.3
174.03188	1.2
175.04053	3.9
175.07774	1.3
177.05614	1.5
179.03470	5.0
182.02191	5.8
183.04469	2.0
185.06139	2.7
187.03966	4.5
188.04776	3.5
197.04552	11.6
201.05656	2.6
203.07158	14.4
205.05171	6.9
217.04979	1.8
221.08032	2.1
227.03442	2.1
227.07152	4.3
245.04546	3.0
245.08171	15.2
247.06122	2.0
247.13280	1.4
253.05046	4.7
255.03030	1.8
271.02777	2.4
271.06094	13.0
277.13644	1.5
277.16531	1.9
285.04102	2.4
289.03738	7.1
289.07147	100.0
290.07574	4.2
303.08810	3.3
319.08295	4.2
358.16190	2.0
363.26089	1.7
388.75528	1.4
409.20648	1.7
425.12341	1.5
431.09821	3.2
447.07941	1.3
469.11725	1.5
469.20670	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1143
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
53.79519	1.3
54.15371	1.2
57.03435	7.3
59.01374	13.1
61.98832	10.1
65.00301	1.3
68.08808	1.2
68.09225	1.0
71.01385	3.3
73.02951	1.3
81.03467	3.8
82.95410	4.4
83.01388	5.6
83.05052	1.2
83.26991	1.1
86.30833	1.3
89.02417	1.4
93.03457	2.6
94.98096	2.4
95.01386	1.7
95.05019	3.2
96.96017	1.8
97.02956	5.6
101.02442	2.7
109.02951	20.3
111.00897	1.2
113.02446	1.8
121.02972	7.4
123.00882	3.0
123.04552	15.5
125.02444	57.7
126.02824	1.2
133.02908	1.4
135.04507	2.7
137.02448	31.5
137.06026	1.6
138.03215	3.5
139.00414	1.4
139.04013	3.4
145.02962	12.9
146.03748	2.8
148.05203	1.6
149.02458	5.7
150.03206	1.3
151.00371	1.2
151.04042	9.1
152.01187	1.5
153.01913	1.6
153.05588	3.6
157.06535	1.6
159.04541	5.4
160.05269	1.7
161.02432	4.4
161.06036	6.4
164.01257	1.6
165.01936	16.2
166.73419	1.2
166.99831	2.6
167.03519	5.0
169.01410	1.3
174.03188	1.2
175.04053	3.9
175.07774	1.3
177.05614	1.5
179.03470	5.0
182.02191	5.8
183.04469	2.0
185.06139	2.7
187.03966	4.5
188.04776	3.5
197.04552	11.6
201.05656	2.6
203.07158	14.4
205.05171	6.9
217.04979	1.8
221.08032	2.1
227.03442	2.1
227.07152	4.3
245.04546	3.0
245.08171	15.2
247.06122	2.0
247.13280	1.4
253.05046	4.7
255.03030	1.8
271.02777	2.4
271.06094	13.0
277.13644	1.5
277.16531	1.9
285.04102	2.4
289.03738	7.1
289.07147	100.0
290.07574	4.2
303.08810	3.3
319.08295	4.2
358.16190	2.0
363.26089	1.7
388.75528	1.4
409.20648	1.7
425.12341	1.5
431.09821	3.2
447.07941	1.3
469.11725	1.5
469.20670	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.2
61.98829	6.8
69.61955	1.6
70.43327	2.1
71.01382	5.5
72.74074	1.5
74.21823	1.3
78.91866	2.7
80.91679	72.1
83.01375	2.5
85.02965	2.2
88.32625	1.1
89.02441	2.5
96.96009	3.8
98.22575	1.5
101.02425	2.9
109.02921	1.7
113.02466	2.2
123.00863	2.5
124.01620	2.5
125.02435	11.5
137.02434	4.0
139.04050	2.2
139.72299	1.4
151.04007	3.2
161.04558	3.0
163.07588	4.1
167.03482	2.4
169.01405	3.4
177.01929	3.6
179.03508	1.7
179.07106	3.3
180.07921	6.8
203.07030	1.5
207.06567	10.3
209.08170	2.2
217.04814	1.5
219.06763	1.7
221.06606	1.8
225.07709	5.8
229.04797	5.8
243.03255	1.6
245.04214	2.7
246.05009	3.0
247.05865	100.0
248.06302	3.1
263.05402	1.9
265.05670	14.5
269.10324	3.5
305.06653	7.8
355.87076	1.4
387.12799	5.1
409.10834	50.3
410.11136	2.5
431.15622	18.1
433.16098	3.0
469.11761	3.7
469.20715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.3
59.01377	7.0
61.98825	1.2
62.32948	1.0
71.01384	3.4
72.99312	2.4
73.02959	0.9
73.20938	1.0
75.00870	1.9
81.03453	1.1
82.95415	1.3
83.01378	2.7
96.96014	3.7
97.06584	3.8
99.04536	1.2
101.02416	1.6
103.04013	3.3
107.01374	1.5
109.02973	2.7
121.02950	1.6
123.00859	2.0
123.04538	2.1
124.01658	6.2
125.02450	25.5
125.74797	0.9
133.02995	1.5
134.03726	1.1
135.08125	1.3
135.23230	1.0
136.01620	2.0
137.02463	4.9
138.03209	4.0
138.05594	3.5
145.06639	1.3
149.02380	2.0
150.03181	1.5
151.00388	2.7
151.03993	1.2
153.01956	2.4
155.73436	1.0
161.02440	12.9
162.03270	4.6
163.07637	10.0
164.01097	7.3
165.01933	2.3
166.02689	7.4
167.03375	1.6
168.00516	1.8
171.06631	3.0
172.62132	1.1
175.03996	1.7
177.01949	6.7
178.02676	2.9
178.99867	3.4
180.00641	2.0
181.01454	2.4
181.05009	1.5
181.08730	1.3
183.03003	2.1
189.01898	2.4
190.02710	15.4
190.99933	1.4
191.03317	2.0
192.00639	100.0
193.01401	36.8
194.02182	24.0
199.03998	2.0
203.03473	1.2
205.01413	10.9
205.05063	2.0
206.02191	12.4
207.02968	47.5
207.06606	3.8
208.03328	1.4
217.05034	2.4
220.03802	1.6
221.00916	4.2
221.04591	1.2
222.01678	10.2
225.07681	9.3
232.03725	5.6
234.01694	44.9
235.02316	3.5
237.04013	6.5
241.05202	2.0
243.04858	2.3
243.08710	26.9
249.04022	29.7
250.04372	1.5
269.04510	1.6
291.05136	6.1
294.03662	5.4
303.05225	1.6
305.06656	2.9
309.06168	31.5
312.01407	1.5
312.04874	19.4
327.07193	80.1
328.07687	2.2
343.09482	1.2
354.05927	10.0
369.08261	59.7
370.08685	2.4
404.04736	1.0
469.12045	1.0
469.17114	13.9
469.22037	0.9
490.16992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78376	0.5
57.03448	0.5
59.01381	7.1
69.19726	0.4
69.55866	1.4
69.56248	0.8
71.01386	1.2
73.02949	1.1
84.75216	0.4
85.02951	0.5
93.03457	58.7
94.03756	0.8
101.02493	0.6
106.85085	0.5
122.74144	0.4
137.02443	100.0
138.02789	1.8
140.42207	0.4
161.04604	0.6
162.10649	0.4
210.53836	0.4
283.03613	0.4
425.14703	1.4
469.20880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45253	2.4
56.77950	2.1
57.03434	4.6
57.32268	2.2
59.01376	30.6
61.09265	1.9
61.98811	3.4
65.00317	2.9
68.81284	2.2
69.38385	8.6
71.01379	9.3
72.99318	5.2
73.02949	7.3
73.52026	1.8
74.74839	1.8
79.20667	2.0
83.01363	5.7
89.02434	3.6
95.05048	2.3
96.96013	3.7
97.02950	3.0
97.06609	7.0
98.22708	2.4
101.02464	7.6
107.01389	4.5
109.02974	5.3
109.06588	5.0
113.02451	5.3
115.07645	2.6
120.99664	3.3
121.02972	5.2
122.03718	3.7
123.00877	4.5
123.04578	2.8
124.01656	7.9
125.02453	42.8
125.05958	2.8
126.02778	4.9
127.07645	4.1
135.08147	7.7
137.02423	11.0
138.05586	2.4
138.55913	2.2
138.83415	2.0
143.39079	2.1
151.00354	19.4
152.01100	3.4
153.01917	7.7
153.05615	3.0
153.09261	2.4
161.02429	7.0
162.03127	2.4
163.04042	5.6
163.07649	34.8
164.01205	4.8
165.01939	3.5
166.02704	4.1
169.01456	4.7
171.06612	8.5
177.01920	6.0
178.99840	6.7
179.07195	3.1
181.01407	3.9
181.08694	6.7
181.77217	2.6
190.02690	8.5
192.00639	43.4
192.07915	5.0
193.01375	25.8
193.08664	3.5
194.02199	6.4
197.08243	2.9
205.01392	7.3
207.03018	22.5
207.06609	19.3
217.05054	4.3
221.08095	4.4
222.01706	3.7
225.07600	24.2
232.03674	2.3
233.00810	3.2
234.01610	21.8
237.04088	3.3
243.05009	3.8
243.08723	100.0
249.03935	11.1
261.00125	2.8
270.01678	2.9
292.01031	3.5
294.03909	2.3
296.34479	2.4
309.06201	12.6
312.04794	8.1
327.07239	34.2
328.07458	3.8
341.09076	2.6
343.09216	6.5
351.55377	2.3
352.05145	4.3
354.05829	4.6
360.04861	3.7
369.08224	28.1
374.04575	4.2
375.05396	6.2
393.02533	2.8
401.58710	2.4
425.14560	3.6
451.16138	3.9
469.17267	46.8
469.23151	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	469.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01378	10.1
59.98534	0.5
61.98824	0.9
69.03461	0.6
69.34705	0.6
69.35088	1.0
71.01384	2.1
72.89893	0.3
73.02947	5.6
81.03453	0.5
82.19675	0.3
83.01384	1.1
83.05017	1.0
85.02950	0.7
89.02377	0.4
95.05010	0.4
98.03744	0.8
99.04516	18.9
101.02431	2.7
107.05037	0.4
109.06572	0.4
111.04485	0.8
113.02425	1.0
121.10204	0.5
125.02446	0.7
135.08133	1.6
137.02446	0.4
155.03461	0.4
161.04625	0.4
203.14413	12.4
218.93307	0.4
221.15463	36.6
222.15810	1.1
226.45470	0.4
247.13431	2.4
263.16614	1.0
265.14435	100.0
266.14737	3.4
271.09686	0.7
289.14621	0.8
307.15497	4.2
352.44818	0.4
469.20447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03433	2.0
59.01379	52.5
59.77893	0.5
60.11419	0.6
69.03458	0.9
69.89299	1.4
69.89622	0.6
71.01380	23.4
72.99290	0.6
73.02554	1.0
73.02946	14.0
83.01392	9.2
85.02948	13.9
85.84455	0.6
87.00874	1.4
88.17098	0.6
88.63786	0.5
89.02452	3.4
95.01378	2.0
97.02960	1.6
99.00886	4.6
101.02445	36.4
101.09761	0.8
103.04023	1.4
103.52350	0.6
106.41516	0.6
111.00876	0.6
112.65775	0.6
113.02448	12.5
113.71382	0.5
115.03996	0.7
119.03498	1.1
125.02377	1.6
143.03470	1.4
145.05106	0.9
150.31215	0.6
159.03008	2.0
161.04570	10.5
163.06111	0.9
165.01811	0.7
166.30406	0.6
247.08076	0.7
263.14987	62.2
264.15369	1.9
409.20761	100.0
410.21075	4.8
469.22119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95110	0.7
70.25364	2.1
71.07240	0.7
75.00871	4.8
96.96009	1.6
103.66872	0.8
112.83460	0.8
122.03738	1.3
124.01710	4.4
125.02423	3.2
135.02998	3.4
136.01605	1.4
136.03287	1.2
137.02409	1.6
137.03407	1.8
151.00279	1.0
152.01089	0.9
160.52240	0.9
174.03259	1.1
187.94434	0.9
188.04727	1.0
212.04907	1.0
214.02663	1.1
216.00604	3.4
229.01355	2.2
240.04340	0.9
241.05064	1.1
242.02115	1.9
243.02930	2.5
244.00133	1.6
244.03711	1.3
255.02965	2.9
256.03790	0.8
257.00836	3.8
264.48541	0.9
267.02789	0.9
268.03763	1.0
269.04718	1.4
272.03122	1.0
277.18048	2.5
278.18362	1.0
279.18710	2.5
282.05215	1.3
293.17603	2.4
294.17767	1.8
295.18341	5.4
297.11554	0.9
297.22128	0.9
301.18021	1.9
305.17410	2.7
306.17899	2.9
307.18143	4.4
309.19775	1.2
311.16705	0.9
321.16846	1.5
322.17349	1.2
323.17490	2.2
325.11020	1.0
327.08807	1.3
333.16891	1.9
335.17648	3.3
337.19153	0.9
341.10529	0.9
343.22934	1.6
349.19989	3.4
350.16095	0.9
351.16946	2.3
353.13953	1.3
353.21432	4.8
355.11859	4.3
367.18753	1.0
367.22870	4.6
369.13223	1.3
369.20642	1.9
382.21527	10.1
383.22180	3.5
393.20340	0.9
395.22406	9.1
397.16196	2.0
397.23807	6.6
411.22202	16.1
421.20187	4.2
422.20682	3.9
423.21719	35.0
424.22043	2.8
425.20004	2.3
426.24048	7.1
437.23364	4.4
439.21198	28.3
440.21371	2.2
454.23569	40.5
454.46747	0.8
455.23810	2.6
469.19864	26.7
469.25876	100.0
470.26273	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	469.2593
Annotation	Blazeispirol V1
Peak:m/z	Relative Intensity
59.01378	0.3
61.98833	0.6
62.69762	0.2
63.87191	0.2
65.03970	0.5
69.46874	0.2
70.45094	0.2
84.37901	0.2
91.05538	0.6
93.03446	1.1
95.01382	1.0
95.05036	0.4
96.02187	0.6
101.03969	0.2
107.05017	1.9
108.02153	2.3
109.02954	2.3
110.00079	1.1
111.38651	0.3
115.05513	0.4
117.03473	0.5
118.04260	0.7
119.05054	1.1
121.02962	2.7
122.03753	1.3
123.00879	4.8
123.04507	0.3
124.01666	2.9
125.02433	0.6
133.06587	0.7
135.04527	10.9
136.01649	0.8
136.05264	0.6
137.02441	6.4
138.03252	1.5
145.02951	1.2
146.03769	0.3
149.02451	6.0
149.06093	3.9
150.03192	0.8
151.04027	0.8
159.04541	2.0
161.02448	0.6
162.03217	0.9
162.83891	0.7
163.04002	9.2
163.07640	0.3
164.04771	1.3
164.83504	0.4
173.05984	0.3
175.03937	0.4
176.04787	0.6
177.05568	23.0
178.06023	0.8
185.06009	0.3
187.07652	0.4
191.07155	2.7
205.08687	0.7
219.10315	0.7
233.11824	1.0
247.13382	0.6
261.14938	0.8
275.16559	0.6
275.20203	0.3
289.17990	0.7
303.19662	0.6
373.46136	0.2
383.21661	0.2
387.06598	0.2
409.23694	0.2
411.21555	0.3
421.20239	1.2
437.23224	3.5
439.21161	4.4
453.22580	0.3
454.23538	39.7
455.23892	4.3
469.25894	100.0
470.26245	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	469.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.59742	0.4
56.02225	0.7
57.98565	0.4
69.94798	1.0
75.00882	0.4
81.03441	0.9
95.05053	0.7
96.02184	0.9
108.29466	0.5
109.02940	1.5
110.03732	2.9
122.03738	1.6
123.00882	5.7
124.01659	2.7
125.02438	0.9
135.02977	0.6
136.01660	0.7
136.05290	2.1
137.02464	4.2
137.03384	0.6
137.06139	2.3
138.03223	6.4
139.03961	0.7
142.02779	0.6
149.06087	1.9
150.03183	0.4
150.06453	1.1
151.04027	4.0
152.04707	0.5
156.74017	0.4
163.07614	0.6
164.01080	0.5
164.04810	0.4
165.01930	0.5
165.05521	0.8
166.02708	2.6
167.03539	0.5
179.03519	2.9
180.04361	1.0
193.05095	0.8
193.08661	0.8
221.08250	0.7
279.41754	0.5
293.17566	0.8
294.18060	0.7
295.18057	0.9
307.18347	0.8
334.17117	0.5
335.17908	0.6
385.30133	1.5
407.25464	0.7
412.29086	0.5
413.30063	0.5
423.25354	1.9
423.32053	0.9
424.33130	1.2
425.27472	0.9
425.33237	6.1
432.57095	0.5
433.23914	1.3
441.26440	11.3
442.26733	1.0
451.24933	4.0
468.31848	2.8
469.20407	5.3
469.25891	100.0
469.32318	57.5
470.19833	0.9
470.26251	8.2
470.32666	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	469.2592
Annotation	Blazeispirol V1
Peak:m/z	Relative Intensity
53.92494	3.3
57.03420	5.6
57.81977	4.0
57.92123	3.3
61.98807	8.6
63.15710	4.0
67.88647	3.5
67.89009	3.6
68.54430	3.3
69.68864	4.3
69.69180	9.4
71.37181	3.8
73.03062	3.6
77.98182	3.6
84.85561	3.8
95.01375	6.0
98.22738	4.2
102.28568	3.7
108.02052	3.2
109.02933	14.2
137.02443	7.6
161.11058	3.7
198.05229	3.8
287.55154	3.6
291.53204	3.7
296.55023	4.0
349.20969	3.7
367.22650	5.1
411.21729	7.8
469.25882	100.0
470.25665	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2966
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
52.95248	0.3
55.01868	0.4
70.93916	0.3
73.30664	0.3
76.99342	0.3
79.82182	0.3
81.03455	0.7
101.15829	0.3
105.07024	0.3
108.02193	0.8
109.02945	1.0
109.06573	0.5
110.03739	0.7
120.89669	0.9
121.02941	0.8
122.03725	2.4
123.00869	0.5
123.04520	22.9
124.01694	1.9
124.05350	0.6
125.02439	0.9
129.09689	0.3
130.26427	0.3
135.04538	0.4
136.05284	1.7
137.02449	4.3
137.06099	3.1
138.03223	3.9
139.03978	0.8
147.04559	1.4
148.05453	0.4
149.06076	6.1
150.03198	1.0
151.03999	24.2
152.04787	7.1
164.04773	0.8
165.05560	28.1
166.02692	1.1
166.05928	0.6
167.55983	0.3
179.07133	0.8
179.10812	0.3
191.10832	0.3
193.08664	0.5
207.10173	1.0
219.13870	0.3
221.11850	1.1
221.15495	0.3
249.14912	0.5
275.20010	0.3
289.18137	0.5
289.21445	0.6
295.18240	0.4
303.19598	1.0
303.61435	0.3
304.20404	5.2
305.17673	0.3
307.17978	0.4
317.21130	4.2
318.21640	0.6
329.91614	0.4
361.19370	0.3
421.23544	0.6
436.25912	0.5
437.26929	6.0
439.24924	0.5
441.26389	0.6
453.26636	0.7
454.27197	69.8
455.27509	5.0
469.29660	100.0
470.30063	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	469.2967
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
59.01377	0.7
59.32978	0.6
61.98830	0.7
69.43564	2.5
75.00865	1.1
79.05522	1.9
81.03450	31.9
96.95977	0.6
105.01913	1.9
112.95968	0.5
123.04518	100.0
124.04845	1.7
125.02473	1.3
136.01588	0.6
137.02406	0.7
138.80794	0.5
151.00414	1.2
152.01053	0.6
152.73836	0.5
158.58382	0.5
165.01878	1.2
165.54291	0.5
219.17494	0.9
222.77036	0.5
277.18198	0.8
293.17664	3.4
295.18259	0.9
301.25272	2.2
305.17468	0.8
307.18558	0.6
315.23276	0.7
321.16916	1.9
333.16971	0.9
335.17841	1.1
343.22717	1.6
343.98010	0.6
345.24292	5.1
349.20206	0.6
363.18143	1.5
379.17432	0.8
380.18192	0.7
381.19012	0.9
427.28317	1.2
437.18298	0.7
469.20154	6.5
469.29544	67.1
470.29904	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	469.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73706	2.2
56.36485	2.2
61.98821	4.6
69.80701	4.6
69.81053	5.8
77.05331	2.4
90.32359	2.3
98.21859	2.7
108.02158	4.1
109.02922	18.5
121.03000	2.8
122.03762	4.1
123.00854	6.7
124.01638	5.8
135.04514	9.5
136.05222	2.5
137.02437	31.4
138.03261	2.7
149.02448	2.9
151.03989	28.8
161.53922	2.8
163.03999	5.6
177.05548	11.8
233.11853	2.7
247.13586	2.5
257.00815	2.6
295.18262	2.9
296.96017	2.8
299.09122	3.3
374.36334	2.7
411.21640	2.5
425.03650	2.5
437.27026	5.8
439.20755	3.0
441.26645	3.1
454.27872	70.2
455.28702	3.2
469.25034	27.8
469.30649	100.0
470.29800	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	469.2956
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
50.54636	0.5
61.60353	0.8
65.79041	0.7
71.22272	0.7
91.39420	0.7
94.92371	0.7
115.72266	0.7
122.03742	8.0
123.00838	0.7
123.04482	1.5
132.70905	0.6
135.04489	3.7
136.05310	4.1
137.02426	2.3
138.03221	27.9
148.05313	1.2
149.06085	7.3
151.04001	1.5
163.04002	1.4
163.07632	1.2
164.04778	4.5
177.05486	1.3
178.06317	1.9
191.07117	1.5
239.12881	0.8
278.74683	0.7
278.98096	0.7
279.08273	0.7
289.21735	1.8
329.68347	0.7
385.27420	1.9
397.31070	1.3
436.26114	1.2
441.30118	9.4
451.28360	4.6
454.27417	4.0
469.29556	100.0
470.29922	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	469.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73706	2.2
56.36485	2.2
61.98821	4.6
69.80701	4.6
69.81053	5.8
77.05331	2.4
90.32359	2.3
98.21859	2.7
108.02158	4.1
109.02922	18.5
121.03000	2.8
122.03762	4.1
123.00854	6.7
124.01638	5.8
135.04514	9.5
136.05222	2.5
137.02437	31.4
138.03261	2.7
149.02448	2.9
151.03989	28.8
161.53922	2.8
163.03999	5.6
177.05548	11.8
233.11853	2.7
247.13586	2.5
257.00815	2.6
295.18262	2.9
296.96017	2.8
299.09122	3.3
374.36334	2.7
411.21640	2.5
425.03650	2.5
437.27026	5.8
439.20755	3.0
441.26645	3.1
454.27872	70.2
455.28702	3.2
469.25034	27.8
469.30649	100.0
470.29800	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	469.3318
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.84435	0.2
55.01636	0.3
55.01874	3.9
55.64572	0.2
69.64962	0.6
69.65367	0.3
95.05028	1.7
124.63627	0.2
136.05296	2.3
137.06105	0.4
149.06064	2.5
150.06766	0.3
151.03902	0.2
153.58861	0.2
163.07640	0.4
175.22652	0.2
191.10747	0.4
198.95348	0.2
205.12343	0.4
207.85847	0.2
219.13893	0.5
233.15422	0.5
247.16975	0.3
261.18454	0.4
275.20166	0.4
289.21713	0.4
343.26221	0.7
364.74765	0.2
369.31610	0.7
382.21225	0.3
385.31067	2.9
395.29510	1.0
413.30600	1.9
423.32928	0.9
425.34207	12.9
426.34451	0.7
427.32062	0.4
451.32202	0.3
454.33603	0.2
469.33188	100.0
470.33530	7.8
482.64233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
52.67649	1.2
59.50055	1.2
69.17255	7.6
122.03734	13.2
123.04535	2.5
153.09236	2.5
198.07034	1.1
289.21732	33.7
290.22189	2.5
290.98538	1.2
317.21198	96.5
318.21753	7.7
361.23804	2.2
469.33298	100.0
470.33575	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	470.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08095	0.5
53.14188	0.5
55.54134	0.5
57.03447	0.9
59.01382	8.1
61.98831	100.0
63.31620	0.5
71.01389	1.1
71.45300	0.4
76.89819	0.4
82.97934	0.6
83.01393	0.7
85.02928	0.6
89.02461	0.5
93.03486	1.3
99.87653	0.5
101.02441	1.1
117.41710	0.4
123.00867	1.1
124.01664	1.9
125.02513	4.2
126.02119	0.4
137.02441	4.0
139.04033	1.7
139.11281	0.8
140.04320	0.8
161.02463	1.6
161.04533	0.5
167.03474	0.6
178.04514	0.5
183.10294	0.8
184.10416	0.5
185.10803	0.5
222.11618	0.5
223.13493	1.2
225.41505	0.5
273.07526	0.6
299.48352	0.5
330.97061	0.5
359.32437	0.5
402.58081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04721	0.5
52.27994	0.5
57.03163	0.8
57.03447	12.1
59.01392	2.6
61.98830	0.9
69.03434	0.6
71.01387	1.2
71.43063	0.7
81.03448	1.7
83.01389	3.2
95.01393	0.8
95.05025	1.6
97.02971	0.9
105.03430	3.5
107.01395	0.9
109.02956	2.3
111.04501	1.0
119.04979	0.6
121.02991	0.7
123.00882	1.7
123.03259	3.0
124.01652	2.8
125.02446	100.0
126.02790	2.0
133.02934	1.5
137.02449	7.7
138.05606	21.5
139.04036	3.9
139.05887	0.7
145.02965	0.6
148.14046	0.6
148.59854	0.5
149.02473	1.4
151.00429	1.0
151.04062	1.3
160.01740	0.6
161.02441	32.7
162.02966	1.0
164.01129	1.1
164.03560	0.9
165.01932	3.4
166.02689	1.4
167.03531	3.6
168.00652	2.2
169.01431	11.8
169.05127	1.5
175.04001	1.3
177.01958	2.5
177.05545	2.4
179.03511	1.8
182.04602	2.8
183.03021	2.3
183.04544	0.6
183.18507	0.6
186.03358	0.5
191.03407	0.7
193.01237	0.6
199.04007	1.0
201.05585	1.8
203.03516	1.1
204.04222	0.6
217.05124	1.2
218.05679	0.7
219.06573	2.7
220.06711	0.6
221.04604	0.8
224.04779	0.6
225.05748	0.8
227.03563	0.8
227.07219	0.8
243.06580	1.3
261.07715	1.5
269.04520	4.7
285.04269	0.7
287.05594	11.0
305.06638	14.0
306.06949	0.6
319.04678	1.0
319.08221	2.5
367.81458	0.7
383.19125	2.4
470.13434	1.4
470.22012	3.1
471.08701	2.6
471.19104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87157	0.3
59.01383	2.1
63.55997	0.3
71.01382	1.1
71.70788	0.2
73.02958	0.3
75.73371	0.2
82.02962	0.3
83.81071	0.3
85.02921	0.3
89.02425	2.0
91.68360	0.2
101.02460	0.8
103.31627	0.3
113.02396	0.3
119.03511	0.5
126.58813	0.3
128.03535	100.0
129.03868	1.8
154.35916	0.3
179.05592	0.7
218.15892	0.3
270.93863	0.3
330.32104	0.3
331.57739	0.3
341.10840	4.5
341.14615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.2
59.01375	76.6
61.98827	100.0
69.48499	15.5
69.48897	14.1
71.01380	17.7
73.02927	12.4
78.57902	5.9
95.18639	6.1
98.21881	6.3
101.02449	9.5
105.38086	5.2
109.02949	11.9
112.94287	5.6
113.06062	7.0
119.03487	6.1
121.02940	7.4
125.02452	34.4
133.02943	8.4
137.02435	6.8
149.02557	7.5
151.03969	10.1
153.01958	18.4
153.09181	21.8
165.09206	13.9
177.01941	61.9
178.02261	19.2
192.00713	6.1
195.02968	19.2
196.03285	11.2
205.12311	20.0
206.23915	5.9
223.13367	89.4
255.05049	12.2
259.06287	5.6
317.06519	21.7
407.55176	5.4
433.07562	25.1
434.08029	71.8
470.14716	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	470.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94786	37.9
56.96150	42.1
59.01376	56.0
61.98818	77.1
68.46935	44.1
69.37128	94.6
69.37511	100.0
73.42950	36.8
74.14669	39.2
84.13496	40.0
88.41374	37.4
91.77680	36.4
95.18452	38.0
156.54358	44.7
266.98605	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15519	0.4
61.98828	100.0
62.95652	0.4
66.57284	0.5
70.33831	1.3
89.87263	0.5
92.98408	0.4
93.37412	0.5
98.22572	0.6
135.04543	0.8
178.18483	0.5
178.33403	0.5
231.48610	0.6
253.20963	0.5
272.68549	0.6
348.95831	0.5
350.20959	0.7
351.09009	0.5
415.41302	0.5
456.25113	1.4
462.02756	0.5
470.20111	1.3
470.25925	0.7
471.27573	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56762	0.4
54.01360	0.4
61.98828	100.0
69.41119	2.0
82.53561	0.4
88.14397	0.4
88.89574	0.4
96.96028	1.1
98.21909	0.9
126.93214	0.5
136.87534	0.4
142.58490	0.5
160.84146	0.5
162.83940	1.6
243.63141	0.4
341.16107	0.5
350.20810	1.5
392.93213	0.4
407.14606	0.5
407.23947	0.6
434.16666	2.3
470.14597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41441	0.4
57.59077	0.4
61.98828	100.0
64.28678	0.4
83.00697	0.4
98.22706	0.6
151.05574	0.4
191.26682	0.4
367.19638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55380	0.9
54.80525	0.9
54.84106	0.8
59.01380	1.8
70.64507	1.0
70.64832	1.0
71.01389	2.1
84.09088	0.9
85.02937	1.2
96.96029	1.1
101.02490	1.0
109.02979	1.0
124.01665	1.8
125.02455	2.1
137.02495	1.7
139.03993	2.3
161.04604	2.5
165.01913	1.6
167.03503	2.4
173.10399	1.1
174.66748	1.0
177.01834	1.5
193.01424	6.1
212.75951	1.0
231.96791	1.2
248.97142	45.0
262.98767	1.7
263.95853	31.9
263.98663	1.7
275.95889	1.2
289.97348	1.2
290.98221	100.0
291.98581	3.6
301.09277	2.1
304.99741	1.2
411.02463	72.1
412.02786	4.7
427.14233	1.0
433.13452	4.7
471.10373	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	471.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.3
58.13199	0.2
59.01377	6.1
61.98824	2.2
63.02397	1.1
65.00314	2.0
71.01374	0.8
73.02945	0.4
80.91689	1.0
81.03457	0.6
83.01387	3.5
85.02946	0.3
89.02435	0.5
93.03469	0.5
96.02150	0.2
98.71013	0.3
101.02433	0.8
107.01397	3.2
109.02941	2.1
111.00868	0.3
111.04516	0.6
113.02443	0.4
119.01284	0.3
119.05042	0.5
121.02951	1.4
123.00887	1.0
123.04529	0.4
124.01688	1.1
125.02444	33.9
126.02795	0.8
131.05025	0.3
137.02441	5.1
139.04028	2.8
145.02914	0.5
147.00887	3.2
149.02397	0.8
151.00368	13.2
151.03990	0.8
152.01152	2.9
153.01932	8.8
153.02872	0.2
155.03528	0.6
159.04500	0.8
161.02431	0.7
161.04625	0.5
161.05995	0.4
163.00264	0.4
163.04005	0.4
165.01920	6.2
166.02657	0.7
167.03493	4.4
169.01396	1.1
173.06036	0.3
175.00356	15.1
176.00899	0.8
177.01950	1.0
178.99850	15.3
180.00336	0.7
181.01450	2.1
185.02431	0.9
185.06018	0.6
187.03976	1.0
189.01956	0.3
190.02673	0.7
191.03494	8.8
192.03816	0.3
193.01405	100.0
194.01714	2.6
195.84373	0.3
199.04025	0.5
201.05585	0.3
205.05017	1.0
205.12207	0.3
207.06561	0.3
209.04619	0.3
211.04065	0.4
213.05577	0.6
214.02618	0.4
215.03494	5.6
223.09747	0.8
225.86023	0.3
227.03574	0.3
227.07112	1.5
229.05048	1.0
231.03104	0.3
233.04524	2.3
239.03519	0.9
247.06041	0.3
249.05376	0.5
249.14879	0.4
257.04559	5.1
258.05115	0.3
275.05441	0.3
283.02383	0.8
289.42700	0.3
291.05118	0.6
301.03516	15.3
302.03751	0.8
319.04575	28.5
320.04846	0.9
345.02466	0.7
362.24249	0.3
427.46375	0.3
471.05310	0.4
471.22491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.1
59.01379	22.9
61.98824	1.2
65.52148	0.3
69.43436	1.4
71.01382	4.1
72.99300	0.5
73.02936	1.0
81.03459	1.8
82.95412	1.4
83.01379	3.6
84.95107	1.2
85.02968	0.9
89.02438	4.0
93.03457	0.6
95.01384	0.9
95.05030	1.4
98.21920	0.9
100.15932	0.4
101.02423	2.5
105.03447	4.8
107.05010	0.7
109.02950	2.6
111.00869	0.9
113.02425	2.1
119.03493	1.7
121.02937	0.7
123.00858	1.2
123.04531	0.7
124.01670	3.4
125.02444	100.0
125.55702	0.4
126.02795	1.7
126.64061	0.4
127.00455	0.4
133.02966	1.3
137.02443	6.8
139.00276	0.6
139.04034	1.6
143.03467	0.4
145.06627	0.5
149.02446	1.6
151.04015	1.3
151.29538	0.5
152.01083	0.5
153.01964	2.2
153.09236	0.4
161.02444	40.3
161.04611	1.4
162.02855	0.8
165.01921	1.7
166.02631	1.0
167.03497	2.1
168.00642	6.2
168.03777	0.5
169.01425	0.9
173.06099	0.5
175.03992	1.4
176.01178	0.5
177.01932	5.7
177.05550	3.2
179.03456	0.8
179.05650	1.2
181.01497	0.4
183.02983	9.5
183.04497	0.9
192.00630	0.8
195.02921	1.0
197.04521	0.8
199.04022	1.1
200.04521	0.5
201.05608	1.6
207.02979	0.8
217.05046	1.4
219.03035	0.8
219.06689	0.9
223.09770	1.0
225.05641	0.7
227.03534	1.1
229.01430	0.8
241.05135	0.8
243.02992	0.6
243.06619	1.0
249.15041	0.7
259.06067	1.2
267.15988	0.5
269.04581	3.9
285.03909	0.8
287.05609	9.6
303.05093	1.6
305.06714	1.7
317.06628	1.2
333.06149	0.8
411.20413	2.1
433.07828	2.7
453.17578	1.8
471.08875	1.1
471.14935	0.8
471.22653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0929
Annotation	Egcg3''me
Peak:m/z	Relative Intensity
56.15599	0.4
56.90434	0.4
57.03444	13.9
59.01381	1.3
69.99032	0.9
71.95860	0.4
81.03454	1.3
83.01375	3.0
93.03415	0.4
95.05024	1.7
98.22730	0.4
105.03448	4.4
109.02933	0.5
117.03477	0.4
124.01649	7.1
125.02440	100.0
126.02773	1.5
133.02972	0.9
137.02429	6.2
138.03185	0.5
139.00409	0.5
139.04016	2.7
140.01146	0.6
149.02477	1.0
151.21133	0.4
160.01735	0.5
161.02434	47.0
162.02873	0.9
164.01169	0.5
165.01907	1.3
166.02669	0.8
167.03523	0.7
168.00647	10.2
169.01357	0.8
175.04106	0.5
177.05582	2.5
179.03531	0.5
183.02972	21.5
184.03235	0.7
192.00685	1.1
201.05574	1.9
207.02997	1.2
219.06638	0.9
225.05583	0.5
227.03522	0.9
229.01419	0.6
241.05220	0.4
243.06589	0.9
269.04584	3.9
287.05573	10.8
288.06049	0.4
305.06638	4.8
333.06128	0.7
373.68054	0.5
471.09418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19394	2.4
56.97246	1.8
57.03442	5.6
59.01379	100.0
61.98828	2.1
69.03459	2.4
71.01379	28.1
72.99304	1.9
73.02948	18.3
75.00883	6.3
83.01401	5.4
85.02943	9.1
87.00852	2.7
89.02457	21.1
93.03485	2.1
95.01386	3.0
99.00862	1.9
101.02433	19.7
107.97796	1.8
108.02184	5.1
113.02477	11.7
119.03505	5.1
121.02971	4.8
123.00890	5.2
123.04533	4.5
124.01697	2.1
125.02450	39.5
126.02798	4.2
137.02448	3.8
138.03178	2.5
139.04007	2.8
149.78595	1.9
151.04025	4.0
152.01128	4.7
153.05557	3.0
161.02420	4.9
163.04083	2.1
164.04785	3.2
166.02792	2.0
167.03461	21.8
168.03853	1.9
169.01425	6.2
175.04039	3.3
177.01906	10.6
178.02383	2.5
179.05569	3.0
182.02115	2.2
190.06288	3.0
197.04521	7.5
199.03987	3.0
205.08716	16.9
223.09738	30.7
249.06070	4.8
267.07159	4.4
285.55304	2.1
287.05579	3.9
319.04645	5.6
367.13919	44.1
368.14240	2.5
385.15024	62.1
386.15149	2.7
411.20010	3.8
427.16110	38.8
435.22202	2.8
465.67877	2.1
471.14990	7.7
471.21970	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	471.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83641	0.2
57.03445	13.5
59.01377	11.7
61.17648	0.2
61.98820	0.8
69.03457	0.3
71.01395	0.8
73.02938	0.3
74.31525	0.2
75.00874	0.3
81.03448	1.4
83.01380	3.6
84.95116	0.4
85.02964	0.5
89.02448	0.4
93.03452	0.5
95.01384	0.3
95.05007	1.6
99.00880	0.3
105.03457	4.3
109.02967	0.7
111.04489	0.3
113.02446	0.7
115.83208	0.2
121.02975	0.4
123.00830	0.2
123.04545	0.2
124.01645	0.5
125.02443	100.0
125.17661	0.2
126.02788	1.5
127.02853	0.3
131.05057	0.2
132.02171	0.3
133.02956	1.2
133.10262	0.5
137.02438	6.4
137.06085	0.2
139.04033	0.7
145.06604	0.3
147.04526	0.2
149.02449	0.7
149.06058	0.2
151.04004	0.4
158.03635	0.2
159.04507	0.3
160.01672	0.2
161.02438	43.7
162.02779	1.3
164.01183	0.2
165.01953	0.5
166.02666	0.8
167.03528	1.1
173.06041	0.4
175.03993	0.7
177.05571	3.6
177.09256	0.5
179.03479	0.5
185.02499	0.2
197.06062	0.4
201.01933	0.3
201.05547	1.6
203.03529	0.4
203.05463	0.2
204.04314	0.3
207.13864	0.5
219.06619	1.0
221.04451	0.2
225.05573	0.7
227.03415	0.5
229.01338	0.5
243.06694	1.2
245.04541	0.2
249.06058	1.0
261.07629	0.3
267.07190	0.7
269.04529	2.6
270.13400	0.2
287.05588	7.6
297.71161	0.2
305.03104	0.2
305.06631	4.5
305.13904	0.3
309.16928	0.9
321.08633	0.2
333.13507	0.3
381.38586	0.2
393.17673	0.2
427.16446	0.5
471.15228	2.1
471.21866	0.2
493.65781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34675	0.2
57.03447	12.9
59.01383	1.8
61.98822	0.3
69.20050	0.4
69.20437	0.6
71.01390	0.3
73.02947	0.2
74.29586	0.2
75.00878	0.3
75.09590	0.2
77.04022	0.2
81.03458	1.5
83.01384	3.3
85.02950	0.4
89.02463	0.3
93.03464	0.3
95.05009	1.5
101.02389	0.3
101.87726	0.2
105.03458	4.3
109.02953	0.7
113.02466	0.2
121.02927	0.3
123.00808	0.2
124.01620	0.2
125.02444	100.0
126.02800	1.6
128.73679	0.2
133.02956	1.4
137.02448	5.5
137.06061	0.4
139.04034	0.7
145.06560	0.3
147.04509	0.3
149.02431	0.9
149.06114	0.3
151.03966	0.3
158.03816	0.2
159.04579	0.3
160.01627	0.3
161.02440	44.4
162.02898	1.3
165.01967	0.9
166.02666	0.7
167.03508	1.0
171.04396	0.2
173.05983	0.4
175.03990	0.7
177.05569	3.5
177.09241	0.2
179.03502	0.6
179.10780	0.2
183.04474	0.5
185.02399	0.2
192.24142	0.2
197.06110	0.4
199.04039	0.3
201.02003	0.2
201.05563	1.8
203.03546	0.4
205.30089	0.2
213.05501	0.3
219.06676	1.1
221.04530	0.4
223.13356	1.2
225.05592	0.7
227.03462	0.4
243.06572	1.1
245.04503	0.3
249.14999	0.3
261.07495	0.2
267.16016	0.2
269.04529	2.7
287.05603	7.7
288.05841	0.4
305.06689	4.8
305.09973	0.4
305.13913	0.3
309.16962	0.6
309.20291	0.2
333.13477	0.4
395.70239	0.2
456.20743	0.2
471.15472	0.6
481.16788	0.2
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
52.76959	9.6
61.98844	15.6
65.12933	9.4
69.43578	47.3
75.00867	32.3
88.82285	9.4
89.85274	11.1
94.79810	11.8
98.22553	19.9
111.88100	10.4
125.02406	11.3
135.02954	24.1
151.00357	24.8
160.60016	11.6
168.44037	10.2
191.14418	28.4
211.99097	9.8
226.68761	9.7
265.14441	100.0
277.14365	19.1
293.13940	65.2
305.13889	27.7
307.15640	17.9
335.14972	31.1
351.14380	52.6
352.15161	25.8
353.15927	25.4
421.14767	19.8
439.15915	20.1
471.18576	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.69298	3.4
65.63231	3.6
69.47746	12.9
71.01378	35.7
73.02945	34.9
83.01364	9.8
85.02944	13.3
89.02445	12.7
92.98197	4.0
98.21822	6.4
100.37483	3.6
101.02442	37.6
101.41263	3.5
113.02454	13.3
119.03469	8.8
125.02438	13.2
136.05246	6.2
151.65288	3.2
161.02455	7.6
161.04579	6.2
190.09981	5.2
205.12302	16.4
205.15923	9.8
223.13423	37.1
245.53535	3.6
249.14948	50.9
267.15958	12.2
309.17081	6.1
367.17587	76.3
368.17911	4.4
385.18646	60.0
411.20319	6.3
427.19724	16.9
429.21127	5.5
471.17233	38.9
471.22626	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	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	58.5
69.23407	20.0
71.01381	30.9
73.02946	16.3
83.01381	7.8
85.02954	17.9
87.00876	6.3
89.02431	11.4
93.03448	8.0
95.01353	4.0
96.95962	3.7
97.02975	5.8
99.00835	6.6
99.90346	3.4
101.02452	19.2
109.02957	5.3
109.63669	3.5
113.02450	13.8
118.39858	3.6
119.03537	4.8
123.08250	5.6
125.02470	21.2
137.02446	34.1
153.01863	4.2
161.02454	4.3
161.04608	4.6
167.03455	9.0
174.06880	3.5
191.03549	3.9
193.01398	9.4
205.12431	6.1
207.10274	37.0
223.13380	83.0
224.13652	4.5
234.37587	4.0
240.17429	3.7
249.14987	29.6
258.05341	4.0
263.12759	5.1
267.15997	18.1
273.07635	11.5
281.17624	7.3
309.17050	36.5
351.14340	10.8
367.17712	33.6
369.15509	15.8
385.18674	58.8
411.16544	14.7
427.19543	41.2
429.21341	5.6
433.10434	5.6
435.12692	5.5
435.22256	13.0
471.16516	5.8
471.22430	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98818	2.8
69.39651	1.8
69.39978	7.3
71.01380	11.6
73.02937	16.0
80.91624	2.1
82.95399	1.8
83.01376	3.0
85.02939	4.2
87.00906	1.9
89.02433	5.1
96.96009	81.3
99.04512	30.2
101.02419	11.9
109.02908	1.9
113.02452	9.0
115.60650	1.9
123.04475	1.9
125.02448	3.6
135.11795	1.9
137.02393	2.6
148.15218	1.7
161.04514	3.9
179.10759	8.1
203.10831	2.0
211.13380	2.9
215.37885	1.8
220.28767	1.9
223.09708	5.2
228.20341	1.8
249.14944	3.2
267.16031	11.1
411.20081	4.4
435.12714	3.4
471.22693	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47494	0.3
59.01379	3.1
59.75976	0.3
60.08770	0.2
61.98843	0.6
62.27462	0.2
71.01410	0.8
72.99315	0.4
73.02962	0.4
80.75636	0.3
84.95129	0.5
90.76480	0.3
95.01423	0.4
96.02188	0.8
101.02479	0.3
108.02199	0.3
111.00934	0.6
113.02476	0.3
123.00884	6.0
123.01727	0.4
124.01659	9.6
125.02489	0.8
126.67316	0.3
130.10245	0.2
137.02478	1.0
148.91051	1.0
151.00468	0.4
152.01135	5.3
153.01970	0.4
165.01994	0.6
166.02733	0.9
180.00621	0.6
211.17046	1.7
221.19347	0.3
227.72728	0.3
235.08275	0.3
235.98013	0.3
249.14969	1.1
250.15681	0.3
263.16537	0.3
265.18207	0.6
275.05817	0.3
279.19754	0.3
281.17578	18.6
282.17932	0.8
291.15869	0.5
293.17621	0.9
295.19049	0.9
307.19275	0.3
309.17068	100.0
310.17361	3.9
322.18033	0.4
323.18524	1.8
335.18814	0.6
351.18094	4.0
352.18176	0.4
401.02158	0.3
411.20914	0.4
471.04901	0.5
471.22278	23.3
472.22461	1.7
472.47522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39524	0.3
57.03442	3.4
58.94073	0.3
59.01377	100.0
60.01718	0.8
61.98829	18.3
69.11544	2.4
71.01371	2.5
73.02946	1.0
81.03463	0.3
83.01391	0.5
85.02965	0.7
86.12415	0.3
87.85358	0.3
89.02455	0.7
93.03462	0.6
95.05029	0.4
101.02464	1.4
105.03468	0.9
113.02442	0.6
124.01729	0.4
125.02444	15.8
126.02755	0.4
133.69966	0.4
137.02460	1.7
161.02441	6.9
161.04552	0.7
177.05562	0.6
192.11584	0.7
193.01512	0.5
203.05573	1.9
207.13910	5.0
211.23288	0.3
249.15038	0.8
287.05710	1.6
305.06696	1.0
309.17117	1.9
411.20221	0.7
421.78134	0.5
462.74841	0.4
471.23090	1.2
493.18866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.2
59.01375	100.0
60.01693	0.5
61.98820	0.8
69.26801	1.2
69.27214	0.7
71.01372	2.5
73.02941	0.8
76.28038	0.3
81.03437	0.6
81.65459	0.3
83.01382	1.4
85.02973	0.5
94.42664	0.3
95.05027	0.6
98.68763	0.3
101.02445	0.7
105.03468	1.2
113.02450	0.7
125.02438	27.0
133.02927	0.4
137.02426	1.8
137.09732	0.4
139.04027	0.3
152.99611	0.5
161.02437	12.3
162.03136	0.4
166.02725	0.3
174.32361	0.3
177.05626	1.0
189.53456	0.3
190.52092	0.3
192.11552	0.5
201.05585	0.6
203.05638	1.5
207.13899	5.1
211.13434	1.1
263.21542	0.3
267.07373	0.5
267.16110	0.4
269.04721	0.5
287.05695	1.2
301.95715	0.3
305.06772	1.0
309.16748	0.4
471.14920	0.4
471.21976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	44.0
60.67411	1.8
61.51776	2.0
61.98833	3.1
62.42068	1.8
63.47509	2.0
70.21387	3.6
71.46913	1.7
72.99305	4.0
73.02945	2.8
84.99307	1.8
93.86852	1.9
98.21851	2.0
108.02177	25.7
121.02947	3.4
122.03734	2.6
124.01657	16.1
125.02451	4.0
134.03725	2.4
137.02435	3.0
150.03221	3.4
192.07985	2.4
207.10243	26.2
228.64307	2.5
247.16985	3.8
249.14893	2.8
252.38994	2.1
263.16467	14.9
267.15988	2.4
273.14978	25.6
280.43481	2.0
281.17548	2.6
291.16013	48.3
292.16315	2.3
308.16312	4.5
309.17075	100.0
310.17401	4.3
327.23483	2.2
347.09720	2.0
468.11694	2.4
471.22302	72.2
472.22510	4.4
481.71985	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	471.2385
Annotation	Lucidenic acid K
Peak:m/z	Relative Intensity
52.51849	0.3
54.59329	0.4
59.01366	0.6
65.03944	0.8
67.01876	0.7
82.00597	0.5
83.01363	0.8
90.13503	0.4
95.01390	2.6
96.02159	1.3
99.00838	0.4
108.02184	3.4
109.02970	2.4
110.00095	0.9
111.00864	1.0
111.28686	0.3
121.02956	0.7
122.03714	1.5
123.00883	19.6
123.04501	0.7
124.01668	7.2
125.02464	0.7
135.04495	0.6
135.41161	0.4
136.01653	0.8
137.01411	0.8
137.02435	11.8
139.00372	2.2
150.03186	0.9
151.00414	1.9
151.03989	0.7
152.01120	1.2
161.06062	0.5
163.03958	0.9
165.01921	9.9
165.05525	0.9
175.03979	0.6
179.07106	1.3
207.10211	0.4
208.99606	0.5
233.11833	0.7
261.15051	0.6
277.17938	0.7
289.17929	0.8
313.17947	0.5
367.22855	0.6
369.20612	1.1
371.26010	0.5
373.23724	1.9
379.19171	0.5
381.24286	0.9
383.21924	1.0
399.25174	1.1
411.21481	0.7
421.19913	1.2
425.23077	2.5
435.21841	1.0
438.20535	0.6
439.21017	5.6
439.25592	0.5
440.22012	0.5
443.24393	12.6
444.24731	0.9
453.22391	2.1
456.21268	1.0
471.23727	100.0
472.24020	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	471.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12740	1.1
61.98825	2.1
68.99815	2.4
75.87257	1.1
78.01109	1.5
78.95918	8.7
84.62720	1.2
95.01409	2.0
95.05018	2.0
97.06566	1.9
98.22648	3.3
106.04242	1.4
108.02171	4.3
109.02961	1.2
109.06583	4.4
110.00142	1.8
111.00842	2.7
111.08070	1.6
119.05017	2.2
121.02958	3.0
121.06612	6.1
123.00887	15.6
125.99596	4.8
136.01692	2.9
137.06097	8.9
137.99564	4.2
139.00360	4.8
139.07628	4.0
147.04425	2.0
149.02440	10.3
151.03973	2.9
152.01210	1.6
152.99548	13.3
164.04741	1.2
165.05534	10.9
166.06361	1.7
173.02353	1.6
177.01900	3.6
177.05507	4.1
179.18033	1.5
195.17546	11.5
196.17920	1.4
197.19080	4.7
198.11780	1.1
203.08771	1.1
209.19110	2.5
213.18634	2.1
219.17476	5.7
225.18552	3.2
237.18541	3.6
240.60490	1.3
251.16556	7.9
251.18759	1.2
253.18108	4.5
264.17212	1.5
265.18021	6.5
278.18832	1.8
279.16022	27.3
279.19177	2.4
279.26804	1.8
280.16476	1.7
281.17572	100.0
282.17874	5.8
289.18179	2.1
289.25369	4.4
299.23807	2.2
304.20355	2.7
305.24728	3.7
307.15494	14.4
307.19128	3.0
307.22720	1.4
307.26309	4.5
309.17032	5.7
315.23267	5.1
317.21344	2.1
317.24817	10.0
331.22690	1.9
333.24332	29.0
334.24289	2.0
335.25806	10.3
343.22818	6.7
359.22366	7.6
361.23837	97.0
362.24036	5.2
375.20184	1.5
377.23459	6.5
379.24933	9.1
387.21719	4.7
405.22748	21.2
406.23001	1.9
409.23810	7.2
421.20502	13.7
439.21588	72.3
440.21863	4.1
471.23822	6.2
471.34714	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	471.2746
Annotation	Macrocarpal A
Peak:m/z	Relative Intensity
51.22678	0.2
55.01870	1.6
55.45774	0.2
55.64679	0.2
57.36584	0.2
59.01379	0.4
62.94587	0.2
67.01884	0.2
69.24783	1.3
71.05030	0.3
75.34206	0.2
81.03452	0.7
91.09038	0.2
95.01382	0.7
95.05032	0.3
96.02172	1.0
98.22630	0.4
107.17751	0.3
109.02938	2.4
110.03739	2.8
111.00862	0.5
122.03735	0.5
123.00884	6.5
124.01653	2.6
125.02433	1.4
125.87329	1.0
135.04549	0.4
136.05278	0.9
137.02440	2.5
137.06073	1.9
138.02199	0.5
138.03226	6.9
142.02710	0.4
144.64658	0.2
149.06062	0.5
151.00383	0.5
151.03981	1.6
165.05518	0.5
166.02711	1.5
179.03539	1.2
179.07193	0.3
180.04301	0.6
198.01640	0.5
261.92542	0.9
263.12668	0.4
315.26791	1.1
345.24384	0.6
359.25772	0.8
369.24417	0.3
371.29584	0.8
381.28000	0.4
383.29626	0.8
384.22021	0.3
399.29074	0.7
425.26874	1.6
427.28525	0.4
435.25201	1.3
443.27982	12.9
444.28360	0.6
453.26505	3.1
454.27109	0.3
456.25177	0.7
471.12540	5.5
471.27481	100.0
472.11890	0.5
472.27774	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	471.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54498	0.6
54.30582	0.6
55.29116	0.7
58.27467	0.7
61.99186	0.6
70.34119	1.6
72.22803	0.7
75.45081	0.6
80.18636	0.7
83.01376	0.8
83.52840	0.6
95.01393	0.6
96.02176	0.8
96.96020	1.0
107.05018	0.7
108.02162	5.7
109.02972	4.6
121.02992	2.1
122.03745	1.7
123.00887	4.4
124.01658	18.0
125.02457	5.9
132.06677	0.8
135.04568	4.0
136.01590	1.0
137.02432	9.4
138.03281	3.5
141.46379	0.8
149.02431	2.5
149.05994	0.8
150.03226	3.5
151.04010	5.4
152.01181	2.1
159.04518	1.2
162.03175	1.2
163.04013	3.1
163.07634	0.7
164.04832	1.5
165.05608	1.2
175.04028	2.3
176.04904	1.1
177.05550	8.5
191.07137	2.4
209.11842	1.7
219.10150	0.7
235.13611	0.8
237.14937	11.3
238.15440	1.0
290.18921	0.9
293.17752	1.1
302.18753	0.8
303.19647	2.1
317.21347	1.1
343.22681	0.8
385.07242	0.8
385.24026	0.9
395.22336	1.1
397.23645	1.5
399.21860	0.9
405.20795	1.1
413.23383	1.5
423.21640	7.3
424.22519	2.6
425.23499	1.1
428.25732	0.8
439.24884	1.6
441.22748	15.8
442.22974	0.9
443.28217	1.0
456.25146	33.6
457.25528	3.0
471.27518	100.0
472.27881	7.3
487.78079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78672	0.3
69.45988	0.6
78.00997	0.4
84.72194	0.4
95.01292	0.6
96.02030	1.4
98.21909	0.5
104.49925	0.4
110.00085	2.2
111.00775	0.8
122.03631	0.4
123.00893	3.5
124.01657	3.8
137.02357	0.4
141.01228	0.4
142.34724	0.4
149.02299	0.6
150.03104	0.4
167.14273	1.3
173.05959	0.8
175.03874	0.5
188.04688	0.7
190.02563	1.1
191.14455	2.3
193.15944	0.7
201.05550	0.4
202.06374	1.0
203.03552	0.5
205.12283	0.8
207.10217	0.8
215.03424	0.8
215.06998	0.4
225.05537	0.4
231.02727	0.3
233.11757	2.1
237.14940	100.0
238.15286	3.4
259.13358	1.6
265.14417	3.9
275.12946	0.9
277.18137	0.6
328.17050	1.3
343.26483	0.6
355.26450	0.5
371.26050	0.5
399.29474	0.8
411.63220	0.4
415.29303	0.6
427.28934	0.7
443.28384	0.7
471.28162	17.4
472.28824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33044	1.7
69.73271	6.2
94.47257	1.7
110.00086	1.7
123.00912	5.8
139.89207	1.9
159.04536	4.2
160.05283	2.2
163.03937	2.5
173.06110	7.6
175.04051	2.6
176.04803	7.8
187.03896	4.3
188.04829	7.6
190.02692	3.5
191.03558	2.3
199.07706	3.3
201.05540	21.8
202.06332	41.5
203.03596	2.7
213.09254	4.3
215.03358	3.2
215.07129	10.4
216.04167	4.0
216.07950	4.9
224.03134	2.3
229.05228	1.9
229.08633	13.5
234.05292	9.3
237.14954	39.6
256.14667	2.9
257.11783	6.6
259.13379	52.9
275.12881	2.5
275.94543	2.2
276.13669	3.0
286.15710	25.9
300.13647	2.2
301.17914	2.4
314.18811	2.1
315.19540	2.4
328.16592	2.3
333.20740	5.1
371.29562	2.1
372.15613	2.0
383.29346	9.0
399.29013	100.0
400.29459	6.2
413.30670	6.8
427.28458	60.8
428.28638	4.1
471.16418	9.2
471.27481	40.6
471.34769	35.9
472.28088	4.5
472.34702	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	471.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72232	0.4
58.30817	0.4
67.01852	1.0
68.99776	1.6
69.58532	1.9
82.00564	0.6
88.69451	0.4
93.03418	0.5
95.01380	4.2
95.16982	0.4
96.02126	1.7
98.00056	0.5
98.22575	0.5
109.02971	2.3
110.00117	2.3
111.00869	1.2
122.03732	0.8
123.00879	27.1
123.04439	0.5
124.01662	5.7
136.05222	0.5
137.01428	0.8
137.02432	11.5
139.00323	0.8
151.00342	2.2
151.03888	1.0
152.01097	1.5
162.03145	0.5
162.83891	4.0
163.11256	1.4
164.83546	1.7
165.01918	14.0
165.05536	1.6
167.14392	0.9
177.05586	0.4
179.07153	2.7
190.02576	0.5
191.14241	0.5
193.08676	1.2
205.12283	0.7
207.10143	0.7
209.11800	2.0
215.03482	0.7
221.11842	0.5
233.11708	0.9
235.09747	0.9
235.13365	1.3
237.11513	4.1
237.14931	71.9
238.15277	1.5
247.13187	0.5
259.13339	0.8
265.14487	1.5
275.12701	0.6
277.17957	1.0
285.18573	0.5
291.19739	1.3
293.17456	0.7
300.13654	1.2
307.19147	9.3
340.12646	0.4
343.26492	0.9
355.26648	0.6
389.26834	0.5
399.24847	0.7
399.29407	0.9
413.23187	0.5
439.24948	2.4
443.27954	4.8
444.28455	0.5
456.25449	3.1
471.27643	100.0
472.28003	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	471.2748
Annotation	Surinone A
Peak:m/z	Relative Intensity
51.23151	1.1
56.71243	1.1
61.98829	19.0
69.63871	3.0
72.52056	1.2
96.95995	1.1
108.02186	3.3
109.02909	1.3
112.98789	3.2
123.00956	1.4
123.04563	1.9
124.01679	5.8
125.02451	4.4
137.02469	3.2
138.96719	1.3
151.03938	1.4
163.62811	1.1
242.02280	1.7
243.03000	1.3
254.85614	1.2
255.02971	1.4
258.01743	1.7
355.22766	3.7
379.22879	1.4
407.21979	1.8
413.23560	2.6
423.21893	4.4
424.22586	6.5
425.23306	40.8
426.23828	3.6
441.22742	21.5
442.23090	1.4
456.25131	77.2
457.25674	5.4
471.27606	100.0
472.27930	7.6
478.54239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01395	1.8
55.51502	2.0
61.98823	4.1
95.01370	4.4
97.73335	2.2
108.02117	2.5
109.02889	2.4
110.00092	2.3
111.00895	1.8
123.00888	24.0
124.01662	7.6
137.02428	17.7
151.00273	2.6
151.03990	3.4
165.01892	12.4
381.56326	2.0
429.26413	3.1
441.22903	2.6
443.27966	7.0
456.25177	10.1
471.27493	100.0
472.27643	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	471.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09013	0.4
65.03948	0.6
71.42318	0.4
71.45412	0.3
73.36801	0.4
81.03441	0.5
91.05550	0.6
93.03465	0.8
95.01402	0.5
95.05053	0.5
96.02181	0.7
107.05013	2.2
108.02187	1.9
109.02913	2.9
110.00105	2.0
111.00890	0.9
117.03490	0.4
118.04256	0.8
119.05006	1.4
121.02937	4.0
122.03741	1.0
123.00853	3.5
123.04521	0.5
124.01664	2.5
125.02454	0.7
133.06558	1.1
135.04520	15.6
136.01643	0.7
137.02435	6.0
138.03189	1.2
141.78404	0.4
145.02985	1.1
149.02429	6.1
149.06070	3.5
149.92604	0.5
150.03183	0.5
151.03986	1.7
159.04530	2.7
161.02399	0.8
162.03221	0.7
162.83893	0.4
163.04004	9.0
163.07631	0.5
164.04724	1.1
173.06046	0.4
177.05554	25.8
178.05968	0.5
185.06239	0.4
191.07150	2.2
219.10237	0.4
235.25989	0.4
261.14941	0.5
265.14276	0.4
397.23935	0.8
399.25351	5.1
413.22748	0.6
423.21729	0.9
439.24823	2.3
441.22925	3.5
455.24280	0.6
456.25137	51.5
457.25507	4.3
471.27539	100.0
472.27896	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	471.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98820	2.5
70.11485	2.0
83.31386	0.8
108.00588	0.7
109.02913	1.0
109.20872	0.8
110.03741	1.4
123.00900	2.1
124.01679	1.9
125.02439	0.9
125.87344	6.5
136.05312	1.4
137.02452	4.5
137.06075	2.2
138.03255	5.0
139.04054	0.9
150.03247	1.0
151.03961	4.0
157.86414	1.2
165.05547	1.5
166.02635	1.2
167.03426	1.0
179.03549	2.8
180.04152	1.7
193.05144	1.1
261.92508	1.3
395.22314	2.0
404.81851	0.8
413.23221	10.0
423.21796	3.3
424.22357	1.1
436.14771	1.6
441.22791	100.0
442.23044	6.6
456.25146	47.9
456.31689	1.5
457.25491	3.2
471.26935	10.7
472.12424	5.4
472.27393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3115
Annotation	Comnostin D
Peak:m/z	Relative Intensity
56.32099	0.3
59.01390	0.4
61.98827	0.8
70.47213	0.7
76.03567	0.4
78.95911	1.3
108.02164	0.8
109.02967	0.8
122.03751	2.4
123.04528	25.5
124.01664	1.9
125.17956	0.3
135.04504	0.5
136.05234	1.1
136.99739	0.3
137.02435	4.6
137.06102	2.5
138.03218	3.2
139.03996	0.7
147.04507	1.2
149.06079	1.8
150.03198	0.7
151.04005	26.9
152.04805	3.7
152.99564	2.4
164.04759	0.7
165.05563	20.6
166.02713	0.9
177.09081	0.3
179.07056	1.0
189.67978	0.4
193.08781	0.7
197.18079	0.4
207.10249	1.5
207.27939	0.4
221.11894	0.8
263.16492	0.5
277.18170	0.3
289.02304	0.4
291.19492	0.4
306.21835	0.7
319.22675	0.6
320.31668	0.4
409.23523	1.0
423.25266	0.9
427.28720	0.6
439.28558	5.4
440.28894	0.5
441.26538	1.6
455.28088	0.5
456.28790	82.8
457.29129	5.5
471.31097	100.0
472.31467	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	471.3111
Annotation	Comnostin D
Peak:m/z	Relative Intensity
70.97775	1.6
81.03468	1.0
103.84053	0.9
108.02150	2.4
109.02957	9.6
112.02055	0.9
115.21612	1.0
122.03745	2.1
123.00873	2.2
123.04523	8.9
124.01656	6.1
125.02448	1.5
131.64574	0.9
137.02461	10.5
138.03226	5.1
150.03174	1.3
151.04004	20.6
152.01128	1.2
164.83598	3.5
165.05563	7.4
189.09578	1.0
193.08705	1.1
207.10315	1.3
237.11354	1.6
237.14928	3.0
371.26202	1.2
439.28815	1.6
441.26294	7.6
456.28793	83.5
457.29123	5.1
471.31134	100.0
472.31995	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	471.3477
Annotation	Lucidumol A
Peak:m/z	Relative Intensity
64.20525	0.9
68.61167	1.2
68.61539	1.0
69.20164	4.8
74.91628	1.0
87.05878	1.0
93.09914	0.9
96.83370	1.1
98.21845	1.6
114.93404	1.2
123.04511	2.9
124.01628	1.3
138.03294	1.9
151.04053	1.4
195.84331	1.2
202.06349	1.8
203.07152	3.4
237.15044	2.7
259.13312	3.2
268.20752	1.2
286.15695	1.4
289.21750	3.3
317.21313	3.6
329.28326	2.1
333.20679	7.7
367.30188	2.9
385.31143	2.2
399.29044	6.4
400.29361	1.1
407.27130	0.9
413.30640	18.6
414.30792	1.2
427.28592	3.3
453.33722	4.0
456.28738	2.5
471.15802	4.2
471.28662	4.8
471.34872	100.0
472.35242	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	472.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
60.01717	0.2
61.98829	100.0
62.17371	0.2
70.92670	0.2
70.99281	0.4
71.01376	1.4
72.39684	0.2
73.02943	0.5
85.02958	0.6
89.02458	0.5
101.02457	0.8
113.02463	0.4
118.06668	0.6
119.05048	0.8
125.02502	0.5
128.17270	0.2
146.06143	0.7
147.04497	0.4
162.08501	0.2
174.05588	0.4
221.06546	0.3
221.11781	0.3
243.28929	0.2
264.15253	0.4
265.15771	0.3
266.11945	1.0
267.07294	0.5
267.16324	0.4
321.02399	0.3
412.21707	1.1
429.21817	0.3
472.16354	1.0
472.22595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03255	0.6
61.98828	100.0
62.59080	0.6
78.95903	6.8
85.30859	0.7
96.96970	1.0
98.21775	1.5
123.00925	1.0
150.97745	0.7
152.99588	12.8
160.84213	17.6
325.29099	0.7
409.23618	5.4
411.82358	0.8
439.66794	0.6
452.87170	0.7
455.35416	1.7
472.28296	2.2
472.35129	1.0
473.36325	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	472.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46048	4.4
58.26930	4.2
58.38285	4.3
59.01378	100.0
61.98833	4.9
65.20578	4.5
71.01366	13.1
73.02940	5.0
75.00867	7.1
77.85861	4.0
85.02970	6.2
87.00856	6.0
89.02448	10.7
98.21722	3.7
101.02421	7.5
113.02458	11.0
125.02396	8.0
151.03993	6.0
267.07260	9.4
267.16110	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	472.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11483	3.5
59.00320	3.2
59.01378	100.0
60.32474	3.0
61.98847	3.5
69.40857	12.1
69.41253	5.8
71.01382	10.4
73.02938	4.6
75.00879	5.5
89.02437	7.5
101.02422	10.8
113.02426	7.0
119.03413	4.1
125.02412	5.9
161.04482	5.4
169.01486	4.3
202.02254	3.8
267.16025	9.2
349.12952	4.2
400.93219	3.8
413.21747	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	472.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64307	4.5
59.01374	100.0
62.58619	4.0
64.16978	4.4
70.50695	8.1
71.01379	12.2
73.02946	10.2
75.00881	6.6
83.50375	4.6
85.02930	5.7
89.02435	7.4
97.55903	5.4
101.02442	12.2
113.02420	7.7
125.02414	6.3
126.90622	4.8
132.83228	4.2
141.88788	4.5
151.42467	4.1
152.00618	4.2
166.70370	4.3
169.01404	5.5
268.62833	4.3
274.14310	4.6
288.52728	6.3
301.38562	4.8
430.21548	5.0
485.87186	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	472.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42966	0.8
53.79504	0.8
59.91708	0.8
61.98824	7.4
63.96222	1.5
69.33665	4.3
76.69626	0.9
78.95904	58.6
85.76427	0.8
96.96965	5.4
116.85676	0.9
143.68376	0.8
150.98019	1.7
152.99586	100.0
171.00673	2.4
218.28258	1.0
255.23314	2.1
281.17365	1.2
312.23157	0.9
320.54025	0.9
409.23608	43.1
410.24115	2.0
444.38547	1.0
472.28143	5.8
473.28748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.5
59.01116	1.6
59.01382	22.6
62.39788	1.0
71.01383	12.2
72.99280	3.4
73.02940	4.0
81.03451	1.3
83.01381	1.8
83.84906	1.1
85.02937	4.3
87.75737	1.1
88.98793	1.8
89.02444	3.6
95.01375	1.1
96.99255	1.1
99.00896	1.7
101.02447	9.6
106.22591	1.0
107.01377	1.6
108.02163	5.0
109.02950	28.7
109.59490	1.0
113.02448	6.4
120.39469	1.1
123.00881	8.5
124.01669	24.4
125.02450	11.6
130.40837	1.0
138.03218	2.2
139.03990	9.0
152.01108	5.0
153.01932	55.7
161.04565	4.7
167.03473	4.0
169.01396	3.8
177.49937	1.2
192.17511	1.1
195.02997	1.8
213.85567	1.2
260.33722	1.1
269.10297	3.4
277.80762	1.2
297.06094	14.6
311.07578	2.1
413.21844	1.7
431.15698	7.0
437.10861	100.0
438.11121	6.9
473.16849	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	473.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69140	0.4
54.73977	0.4
55.01876	0.7
57.03448	1.1
58.00565	0.5
59.01375	92.1
61.98823	1.4
69.41212	2.0
71.01374	13.6
71.58820	0.4
73.02943	7.1
75.00867	1.3
76.31248	0.5
78.95947	0.4
83.01373	3.0
84.93018	0.5
85.02934	5.1
85.40286	0.4
87.00870	1.7
89.02444	4.5
93.03482	0.9
95.01372	1.4
95.04990	0.5
97.02985	0.6
99.00874	1.8
101.02438	8.5
108.02187	0.8
109.02976	0.7
111.00864	0.6
113.02453	5.7
117.03455	13.7
119.03494	1.9
119.05013	8.5
121.02931	0.8
123.04507	0.7
124.01620	0.6
125.02436	5.8
133.02985	0.8
133.06621	1.0
136.01677	1.2
137.02446	1.8
139.00372	0.6
143.03491	0.8
145.02940	44.8
146.03333	0.6
149.02464	1.0
150.03134	0.5
152.01065	0.5
159.02950	0.8
161.02455	3.4
161.04559	3.7
161.06070	2.1
162.03230	1.4
163.03995	5.4
163.11354	0.8
164.01152	7.1
165.01929	0.8
165.09213	0.7
166.02664	1.0
167.03468	0.5
169.01378	0.5
175.03986	0.5
177.01936	1.9
178.02721	0.5
178.99879	2.5
179.05582	0.6
181.12367	1.8
187.04007	1.6
189.01944	0.9
190.02731	3.0
192.00635	100.0
193.01376	9.5
194.02145	2.9
205.01360	3.1
205.04965	2.7
206.02147	2.5
207.02971	55.2
208.03360	1.4
221.00928	1.0
222.01669	2.0
225.11305	9.9
233.15506	0.8
234.01669	10.2
235.02354	1.0
237.04076	1.1
245.00752	0.5
246.01773	0.6
249.04019	9.2
249.14944	0.8
251.16498	7.9
265.07181	6.9
269.17499	1.6
289.07172	2.1
294.03806	1.2
309.05975	3.5
311.15387	0.5
312.04745	2.3
327.07211	6.1
387.23795	2.3
412.50339	0.5
413.21783	18.9
414.22116	0.9
431.22751	5.6
458.08267	0.6
473.10831	17.9
473.23987	21.5
474.24271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
59.30164	0.8
67.87766	0.7
69.53670	2.1
71.01397	1.3
76.87190	0.7
83.01366	1.1
96.95961	0.8
101.02404	0.9
103.05551	0.7
117.07088	4.1
123.00898	1.7
123.25453	0.7
125.02437	10.1
133.02995	1.1
133.06581	1.8
134.03716	0.7
137.06104	0.8
145.06506	1.2
146.03723	0.9
147.04492	2.8
149.06030	0.9
161.06078	9.9
162.03169	1.7
163.03987	0.9
163.07649	1.5
166.99809	1.9
167.03479	1.7
169.01410	11.3
175.03993	2.7
176.04814	1.0
177.01897	2.1
177.05585	1.8
178.02890	0.8
187.03981	1.6
189.05602	5.0
190.02702	54.5
191.03470	14.6
201.05591	1.0
203.01736	0.7
203.03432	3.5
204.04260	2.7
205.05052	23.1
205.06973	1.2
206.05362	0.9
209.04550	1.5
215.03413	2.2
217.05070	1.1
221.04575	1.9
225.12315	0.8
231.02992	1.5
233.04527	100.0
234.04921	3.1
247.06306	1.2
251.05531	1.0
259.06091	1.0
263.05582	2.7
275.05634	4.4
275.08051	0.8
287.05615	0.8
303.05011	0.8
305.06616	2.5
311.07361	0.8
353.08743	78.5
354.09131	3.1
383.09573	2.4
413.03412	0.9
455.12299	0.9
473.13000	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
69.03453	0.5
70.21060	0.8
71.01363	1.7
82.95389	0.9
83.01391	0.6
84.95117	10.4
85.02951	0.5
87.00835	0.4
89.02448	0.6
91.05518	0.7
94.79310	0.3
95.01386	1.0
97.02983	0.5
101.02444	1.1
103.05523	4.1
105.03462	0.6
105.07106	0.8
107.01373	0.7
109.02930	0.9
113.02452	0.7
119.05038	0.9
120.67059	0.3
121.06629	0.6
123.00885	2.1
123.04528	1.3
125.02448	14.3
133.02930	0.5
133.06575	1.0
135.04564	1.8
137.02429	0.6
137.06090	1.4
143.05098	0.5
145.06592	1.1
146.03754	1.3
147.04530	7.8
148.01631	0.3
149.02415	0.5
149.06073	3.1
151.04039	0.8
159.04486	0.8
160.05330	0.7
161.02405	0.4
161.04599	0.7
161.06073	2.3
162.03273	2.0
163.04018	2.5
163.07785	0.5
165.05545	1.6
166.99838	2.5
167.03516	1.3
169.01430	15.3
174.03157	0.5
175.04008	1.5
177.01917	1.7
177.05571	1.1
179.03549	0.5
179.05614	0.4
189.05576	3.2
191.03496	100.0
192.03775	2.7
193.05052	6.2
199.03786	0.4
203.03563	0.4
205.05025	1.2
209.04517	0.5
217.04984	0.5
221.04526	2.6
225.07664	0.6
231.06531	0.6
233.04552	8.0
234.04794	0.4
248.44046	0.3
259.06216	0.5
270.20844	0.4
303.05087	0.9
305.06659	0.4
311.07599	0.6
317.03064	0.7
321.06232	0.6
382.79965	0.4
431.15454	0.9
473.06610	0.8
473.12909	11.8
474.13168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03438	4.0
59.01378	41.9
61.98832	3.0
63.04030	1.0
68.99798	1.2
69.03442	2.0
71.01006	2.3
71.01380	27.7
72.99302	5.2
73.02946	2.7
75.00877	16.5
81.03452	2.1
83.01389	3.4
85.02947	26.5
87.00893	6.9
89.02454	10.2
93.03440	1.1
95.01389	7.9
96.45656	1.3
97.02945	1.7
99.00869	11.5
101.02430	5.5
103.00367	3.5
103.45153	1.1
108.02171	4.3
109.02950	23.6
111.00881	4.1
113.02451	36.4
113.03243	2.0
115.00303	1.2
117.01932	3.4
121.02972	8.4
123.00900	8.4
124.01649	15.4
125.02443	20.4
135.04469	1.3
137.02473	2.4
138.03223	3.4
139.00290	1.8
139.04012	9.5
147.04503	4.6
149.02440	44.2
150.03215	3.2
151.81409	1.3
152.01180	4.4
153.01939	44.8
161.04416	1.8
163.03961	2.7
164.04796	40.4
165.05502	2.3
166.99863	2.3
167.03479	2.7
169.01413	14.9
175.02481	2.9
176.01212	1.9
177.01895	1.7
179.07156	4.3
190.02705	4.0
191.03406	2.1
193.04997	2.9
195.02950	3.1
199.61536	1.3
205.05031	5.1
209.04625	2.7
223.06094	31.7
249.06148	31.1
267.07196	100.0
268.07523	1.9
269.06808	2.6
297.06100	11.7
297.09769	3.6
311.07706	1.6
437.10843	78.4
438.11255	4.4
441.10287	1.4
455.11932	4.5
473.12927	85.8
474.13040	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	473.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87624	0.6
57.03444	14.2
59.01376	51.3
60.01715	0.6
61.48603	0.7
61.98813	2.4
69.93800	0.6
71.01379	10.3
72.99299	0.8
73.02946	3.2
75.00860	1.2
81.03476	1.9
83.01382	5.1
85.02949	4.6
87.00890	0.8
89.02448	7.9
92.56883	0.7
93.03469	0.9
95.01362	1.3
95.05037	1.6
99.00880	1.3
101.02435	7.7
105.03468	4.2
109.02955	1.4
113.02441	5.9
119.03506	2.8
120.54192	0.7
121.02960	1.1
123.04504	0.6
123.08144	4.7
124.01682	1.1
125.02442	100.0
126.02766	1.3
131.41159	0.7
133.02971	1.4
135.04538	0.9
137.01418	1.4
137.02441	21.6
137.03490	1.3
139.04002	1.4
141.09219	3.4
149.02444	5.5
149.44737	0.6
153.74539	0.6
161.02446	42.8
161.04414	5.4
162.02959	1.3
167.03532	4.1
173.06006	0.9
175.03932	1.4
177.05515	4.2
178.06284	1.8
179.05583	2.4
179.10774	1.6
183.04544	1.1
185.08180	25.7
191.07130	0.7
193.08618	1.0
197.06149	1.5
199.04051	1.1
201.05644	1.6
203.03433	0.9
209.11880	1.8
219.06682	1.9
223.09805	1.2
225.05554	1.1
227.03484	2.1
229.01433	1.9
229.11624	1.0
230.12259	1.1
239.05545	2.1
243.06599	1.3
249.06155	0.8
251.12939	0.8
251.16501	1.3
269.04550	11.6
269.10388	2.0
287.05612	12.1
305.06622	5.9
317.10089	0.9
335.11414	3.4
346.38147	0.7
413.21802	7.7
429.16635	1.5
473.15497	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	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
57.03437	4.1
59.01377	100.0
67.01883	1.2
69.03445	4.9
69.16445	5.6
71.01380	57.6
71.05000	1.4
72.99303	2.0
73.02945	24.1
79.01880	1.7
81.03458	3.0
83.01380	14.1
85.02950	25.9
87.00871	2.8
89.02448	11.8
94.24839	0.9
95.01395	9.7
97.02960	5.6
99.00888	8.1
99.04517	2.4
101.02445	43.7
107.01390	2.7
109.02924	3.6
111.00854	2.1
112.01673	1.5
113.01697	1.9
113.02452	31.3
115.03999	1.6
117.05595	2.4
119.03482	3.8
119.05100	1.0
121.06596	2.2
123.00882	11.3
124.01637	2.0
125.02446	77.7
126.02821	1.0
129.01897	1.2
137.02414	4.2
139.00314	1.1
141.01871	1.8
143.03514	8.7
145.06589	2.6
147.04503	2.3
149.06056	1.7
151.04012	1.0
153.01959	1.4
155.03380	1.0
159.03030	2.6
159.04512	2.2
160.05275	1.9
161.02496	1.5
161.04539	26.5
161.06027	5.1
161.08186	18.2
162.08517	1.0
166.99857	13.4
167.03471	1.5
169.01421	82.8
173.06143	1.7
174.03185	1.3
175.04068	2.5
177.01923	3.4
177.05501	2.0
179.05603	1.9
189.05542	8.2
191.03464	3.8
193.05022	1.1
199.03865	1.0
201.05446	1.1
203.03505	3.6
203.05344	1.2
203.07109	2.3
205.05025	2.3
219.06660	1.4
221.06563	1.2
225.07645	4.2
227.05701	1.9
231.06569	2.0
233.04524	17.8
241.05006	1.3
245.06635	1.5
247.36378	1.1
251.12862	6.0
259.06082	4.0
269.04410	1.5
269.10297	36.5
275.05356	1.0
277.07126	1.5
293.06665	12.4
303.05103	1.6
311.08023	1.5
311.11334	3.9
317.03000	2.4
329.02814	2.2
335.11581	1.9
413.03552	1.4
413.14511	13.3
413.21771	1.8
429.08551	1.3
431.15546	75.2
432.15814	3.3
473.17169	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	473.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03434	6.4
59.01379	100.0
61.98818	6.5
67.01863	2.6
67.82748	2.4
69.03447	2.4
69.99441	2.2
69.99789	4.7
71.01379	49.1
72.99303	7.2
73.02945	10.6
75.00871	25.0
78.57692	2.3
81.03461	3.0
83.01399	5.2
85.02944	36.6
87.00873	15.3
89.02437	17.2
95.01381	10.1
99.00854	10.4
101.02473	13.1
103.00372	3.2
111.00876	2.5
113.02455	46.8
117.01910	4.2
119.03505	4.1
125.02430	8.4
129.01941	3.1
135.11798	6.5
137.02310	2.3
146.34482	2.6
154.14890	2.1
161.02396	3.5
161.04588	6.0
161.09773	4.0
167.03491	4.7
175.02434	5.8
179.10782	13.9
201.17850	2.3
205.06944	4.1
231.05057	4.3
249.06161	26.9
267.07190	98.8
268.07413	2.3
269.17563	2.2
273.07611	9.5
326.04077	2.7
413.21680	6.8
429.17285	31.4
431.22977	4.2
473.16702	60.8
473.23688	11.4
474.16919	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	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03444	3.0
59.01379	60.3
61.23515	1.3
61.98824	2.8
69.98013	2.0
69.98351	2.6
70.19783	1.3
71.01382	35.3
72.99300	5.7
73.02934	3.7
75.00475	1.6
75.00874	23.7
79.58307	1.3
83.01372	2.7
85.02951	35.7
87.00851	11.6
89.02441	12.9
95.01373	7.5
98.21912	2.5
99.00872	14.2
101.02425	4.1
103.00345	2.2
111.00867	1.7
113.02449	43.5
115.00394	1.6
117.01939	3.5
119.03468	1.6
125.02430	3.0
129.01947	2.5
131.03508	2.9
135.11780	7.0
149.04506	1.4
161.04550	4.5
161.09702	1.8
167.03535	2.4
175.02460	3.8
179.10768	11.0
205.07071	2.2
207.05177	1.8
249.06158	29.5
267.07190	100.0
268.07468	2.5
301.20996	1.8
311.85114	1.4
345.59341	1.6
413.21707	3.4
429.17551	40.4
473.16574	63.7
473.23334	3.4
474.16650	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00148	1.3
54.31646	1.2
57.03455	6.8
59.01379	100.0
61.98821	5.2
67.01882	1.5
67.28118	1.1
68.99825	2.0
69.03447	1.1
71.01005	2.2
71.01381	32.0
71.44270	1.1
72.99304	7.1
73.02949	12.8
75.00873	21.2
79.65618	1.3
81.03443	2.2
82.95408	3.4
83.01389	4.6
85.02959	26.2
87.00883	8.2
89.02446	12.5
93.03448	1.5
95.01378	7.0
97.02973	1.7
99.00876	13.6
99.04510	1.4
101.02429	11.0
103.00368	3.3
104.52355	1.2
105.03415	1.3
109.02942	1.2
113.01698	2.3
113.02457	36.0
115.00395	2.1
117.01933	2.6
119.03481	3.7
121.02970	2.2
125.02442	16.0
129.01886	2.2
135.11797	9.2
137.02467	2.5
143.03539	1.4
149.02443	1.3
149.04472	1.5
153.02032	1.3
157.01352	1.3
159.08180	1.4
161.02475	7.3
161.04543	4.4
161.09723	3.0
169.01448	1.5
175.02467	3.4
177.01930	25.6
179.05615	1.2
179.10771	19.2
185.08104	2.3
193.01392	1.4
193.05240	1.5
231.05089	2.7
249.06140	33.3
267.07208	36.4
268.07590	1.6
281.08127	1.9
405.46732	1.2
411.16373	1.5
413.21802	8.8
429.17474	42.1
431.22830	4.5
458.15790	2.3
473.16727	69.1
473.23828	12.5
474.17291	3.6
478.87549	1.4
492.49905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19333	0.2
50.95130	0.2
59.01377	4.9
61.98827	0.3
69.17250	0.9
71.01376	1.5
73.02930	0.2
75.88118	0.2
85.02933	0.4
88.91560	0.2
89.02444	1.3
93.31480	0.2
98.99554	0.2
101.02438	0.5
107.61218	0.2
113.02467	0.4
115.85386	0.2
119.03513	0.4
119.05013	1.5
120.05805	0.4
125.02455	0.5
131.03442	0.2
133.06665	0.2
135.08167	38.8
136.08472	1.0
149.04550	0.6
161.04587	0.5
165.05644	0.3
179.07140	100.0
180.07478	2.8
265.03558	0.2
293.08835	0.9
413.21579	0.8
473.16605	24.5
474.16968	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.66942	0.4
60.01702	0.7
61.98833	1.0
70.58708	0.6
71.01382	2.4
73.02943	0.9
75.00852	0.5
78.59050	0.5
79.43520	0.5
85.02977	0.9
89.02467	1.6
89.23591	0.5
89.43789	0.5
98.19865	0.5
101.02471	2.4
108.02199	1.6
109.03012	0.6
109.28137	0.4
113.02483	1.3
119.03522	1.0
125.02473	1.6
137.02454	2.2
145.03003	1.2
161.02486	0.7
161.04570	1.7
164.01241	0.6
164.91064	0.5
168.57213	0.6
173.76398	0.5
187.86096	0.5
191.10847	0.7
192.00626	3.5
193.08763	1.1
194.09537	0.7
207.03049	2.1
209.11823	24.1
210.12202	1.3
233.15565	0.5
251.16484	3.2
320.08112	0.6
353.16220	1.3
371.17078	1.1
413.22046	7.5
473.10999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06929	0.7
55.01877	8.9
55.24977	0.8
57.03448	6.2
59.01378	90.9
61.98829	4.5
69.03460	1.1
69.49377	2.7
71.01379	100.0
72.01716	0.8
72.99315	2.3
73.02946	36.2
75.00879	3.1
81.03439	1.0
83.01382	19.0
85.02949	50.9
87.00850	4.8
89.02446	28.1
95.01387	10.5
97.02967	3.7
98.21912	1.5
99.00887	14.5
99.25398	0.8
101.02444	84.5
107.00709	0.8
112.01682	1.6
113.02448	51.9
114.02773	1.0
119.03509	7.4
125.02454	8.9
129.01918	1.3
131.03505	3.1
135.11784	0.9
143.03474	8.2
159.02986	8.3
160.55045	0.8
161.02496	1.4
161.04555	47.6
161.42397	0.8
179.05679	4.4
179.10793	2.6
185.08208	1.3
221.06645	4.4
249.06165	4.6
251.16451	1.8
267.07281	2.6
287.05688	1.1
293.17657	2.9
309.17072	1.9
310.17444	4.0
311.14978	47.9
312.15302	1.1
387.18826	0.9
413.21860	4.1
429.17700	4.1
473.20432	75.0
474.20813	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95257	0.6
53.71785	0.4
57.03441	0.5
59.01374	100.0
60.01722	0.5
61.98837	2.8
66.33006	0.5
69.36396	2.7
71.01378	3.2
73.02948	1.4
75.00880	0.7
81.63863	0.5
81.99972	0.5
83.01378	0.7
85.02956	1.0
88.96580	0.5
89.02476	2.0
101.02462	1.6
110.07240	0.5
113.02461	1.7
119.03525	0.9
122.03732	7.6
123.19494	0.6
125.02444	7.1
126.02821	0.6
137.06073	12.7
161.02451	1.7
161.04523	1.2
209.11803	19.7
210.12071	0.6
221.98642	0.5
230.12454	0.9
243.31085	0.5
251.16579	1.1
287.05630	0.6
295.11942	1.2
311.15012	0.9
369.82297	0.6
413.22018	2.4
473.24841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03423	3.6
59.01377	100.0
61.98828	13.1
69.03436	1.8
69.40633	2.1
69.41008	2.0
71.01379	28.6
72.99291	2.3
73.02943	31.4
74.15755	0.8
75.00861	9.1
81.03436	1.3
83.01388	8.1
85.02947	14.3
87.00871	4.6
89.02435	11.9
95.01373	3.2
95.46186	0.8
97.02924	1.7
99.00871	5.5
99.01421	1.0
101.01791	1.5
101.02443	29.2
103.00349	1.4
111.00896	1.0
111.04551	0.8
113.02448	23.4
117.01891	1.6
119.03443	4.1
120.82322	0.8
125.02394	3.0
131.03458	2.8
135.11766	1.9
143.03470	2.7
149.04517	3.5
155.03537	1.0
161.04567	7.8
161.09697	1.2
167.03522	1.2
169.01369	0.9
175.02461	1.5
179.05612	2.1
179.10780	7.5
221.06825	1.2
231.40002	0.9
239.05505	1.0
249.06140	8.3
251.16354	0.9
262.18646	0.9
267.07172	15.7
297.13284	2.4
298.37592	0.8
309.61615	0.9
311.13239	0.8
413.21658	9.0
429.17377	8.9
431.22647	1.1
444.24170	0.9
473.16501	35.5
473.22943	1.3
474.16422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
59.01377	100.0
60.01706	1.2
61.98827	8.3
69.22710	5.3
71.01379	23.7
72.37370	1.1
72.99281	2.5
73.02946	6.6
75.00859	6.1
77.55208	1.2
81.03462	0.9
83.01373	2.7
85.02940	12.0
87.00877	3.7
89.02442	14.7
93.03442	3.5
95.01382	2.6
97.02940	2.7
98.22591	2.6
99.00856	3.4
101.02434	18.6
111.00880	1.2
111.04505	1.4
113.02443	17.3
119.03486	5.6
121.02934	3.9
121.93117	1.2
123.04504	1.7
124.01637	2.4
125.02449	4.8
129.01976	1.4
131.03455	1.9
135.84279	1.0
137.02477	1.6
139.00386	1.3
139.04008	13.6
143.03519	1.5
149.02353	1.2
149.09695	2.5
151.03999	2.6
153.01915	3.2
161.04538	8.4
165.09213	1.6
178.36568	1.1
179.05623	4.1
179.07077	1.8
179.10773	2.6
191.03467	1.2
191.07103	1.2
191.10829	2.3
192.07936	12.9
193.08626	2.4
207.10309	6.0
209.11946	9.3
225.26326	1.0
229.08627	2.9
233.15428	1.6
237.07793	1.9
249.06096	4.3
251.09290	5.6
251.16484	3.3
254.07944	8.3
267.07227	18.4
269.17593	1.9
273.07614	4.6
296.12668	2.0
298.36569	1.2
311.11667	7.8
311.14938	3.9
311.18463	13.9
322.94904	1.0
353.15897	8.4
371.17105	9.0
413.17590	4.9
413.22543	13.6
414.22339	1.4
429.17404	7.1
434.02567	1.1
473.06854	1.4
473.16019	12.9
473.24530	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	473.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38991	4.1
57.03434	9.2
59.01111	7.8
59.01378	100.0
61.11525	4.1
61.29508	4.2
61.98825	14.3
69.45507	19.9
71.01387	10.8
73.02946	6.8
83.01379	10.0
94.08994	4.8
98.21899	5.6
101.02451	6.7
110.04359	4.4
113.02451	4.7
113.71123	4.2
121.02979	6.3
121.72120	4.2
125.02441	58.6
129.38042	4.8
161.02419	26.6
182.92995	8.8
211.24330	4.9
226.92091	17.3
231.23082	4.4
251.16541	5.1
283.59747	4.5
287.05472	5.4
294.58099	5.3
318.94577	4.6
423.81274	6.8
473.21515	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70475	0.5
55.01892	0.4
57.03448	1.5
58.00593	0.5
59.01379	100.0
60.01701	0.5
61.98821	0.5
67.01875	0.5
69.03463	2.0
71.01380	18.6
71.05030	0.5
71.43970	0.5
72.99304	0.7
73.02947	2.5
79.01910	0.8
81.03443	1.3
83.01384	1.2
85.02951	4.3
87.00879	1.7
89.02444	28.0
95.01393	3.6
96.96009	0.4
97.02975	2.0
99.00907	1.0
101.02454	12.1
107.01412	2.6
109.02962	1.4
113.02455	10.6
119.03506	12.4
119.04304	0.7
121.06622	1.3
123.00889	7.9
123.04590	0.6
124.01677	0.7
125.02446	47.5
126.02802	0.8
126.71055	0.5
131.03523	1.4
133.02928	0.7
137.02429	2.5
137.06097	0.5
141.01970	0.9
143.03441	2.9
145.06624	0.6
147.04501	0.8
149.02438	0.6
149.04576	1.6
151.04071	0.7
159.03050	0.5
161.02443	0.8
161.04555	6.2
163.07742	0.5
164.04863	0.6
165.01921	0.8
166.99855	7.8
167.03560	0.7
169.01422	51.1
170.01788	1.3
173.06078	0.5
175.04037	0.8
177.01903	2.5
179.05626	11.6
179.07094	0.9
191.03604	2.0
197.06197	0.5
207.06648	0.6
207.10069	0.7
217.05103	0.8
225.07745	0.8
231.06599	0.6
241.05139	1.0
243.02942	0.5
251.16644	1.7
256.95438	0.5
259.06107	2.4
267.07196	0.8
269.04672	1.9
269.10410	0.5
277.07129	0.5
285.04111	1.1
303.05093	0.7
317.03134	1.9
329.02774	1.0
413.21802	4.7
431.15710	2.4
431.22961	0.7
460.19791	0.5
473.06799	0.6
473.12662	0.8
473.24097	1.0
474.24646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79755	0.5
55.01863	0.6
57.03445	6.3
59.01378	100.0
60.01715	0.7
61.98830	4.2
71.01379	18.1
71.45071	0.5
72.99283	0.7
73.02946	3.8
75.00881	0.7
76.90154	0.5
81.03467	2.1
82.95414	5.5
83.01376	3.1
85.02944	6.4
85.25317	0.5
87.00905	1.0
89.02448	16.4
95.01402	1.8
95.05032	1.0
97.02946	0.5
99.00897	1.0
101.02441	15.2
105.03455	1.4
106.18764	0.4
109.02950	12.3
111.04528	0.5
113.02457	8.6
119.03506	7.1
121.03029	0.5
123.00921	0.8
124.01662	0.5
125.02448	42.1
126.02808	1.2
131.03532	1.0
133.02992	0.9
137.02475	2.9
137.05992	0.6
138.03271	0.7
139.04051	1.0
143.03514	2.1
149.02446	0.5
149.04572	0.7
151.04016	1.3
159.02985	0.8
161.02452	16.9
161.04527	9.2
161.05861	0.9
162.02901	0.8
163.99640	0.4
165.01952	0.9
166.02815	0.5
167.03564	1.2
169.01419	3.2
170.23669	0.5
175.04010	0.5
177.05580	1.6
177.12827	0.6
179.05574	6.8
179.06923	0.6
185.04546	4.1
185.11937	0.5
189.92241	0.6
197.06046	0.8
200.47330	0.5
201.05553	0.8
207.10152	0.5
211.06030	0.5
219.06773	0.6
225.05557	0.5
227.07109	0.8
234.12747	1.5
235.09813	0.8
236.10533	1.8
249.14879	0.8
251.12785	3.2
251.16562	1.7
269.04654	1.9
269.17468	0.5
270.04962	0.6
287.05576	5.9
305.06720	2.1
307.55649	0.5
311.07993	0.5
311.14963	3.1
329.06635	0.6
413.21811	23.3
414.22357	1.3
431.23056	0.7
437.11658	0.6
455.09793	1.4
473.10321	0.9
473.19833	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08193	0.6
57.03435	1.3
59.01375	100.0
59.49834	0.6
60.01705	0.8
61.98826	8.3
69.31651	1.2
69.32054	2.1
71.01375	5.0
72.50922	0.6
72.99342	0.7
73.02951	1.9
75.00877	1.1
83.01392	1.0
85.02951	2.7
89.02435	4.0
101.02457	3.9
112.19773	0.5
113.02425	3.9
119.03515	1.8
125.02425	7.8
133.54361	0.5
137.02423	0.8
143.03461	0.6
149.04575	0.8
161.02446	3.9
161.04581	2.5
179.05688	1.2
191.03458	1.0
191.10887	0.6
209.11899	0.9
218.80478	0.6
229.11607	1.5
229.27293	0.6
251.16508	7.3
269.04645	0.7
311.15222	1.0
311.18762	4.4
353.16058	1.4
392.17813	0.5
413.21854	5.5
473.24838	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01380	84.3
61.98820	2.9
69.03455	2.6
71.01382	5.2
71.05014	3.0
71.45026	0.9
73.02950	4.4
85.02957	2.0
89.02461	4.0
95.01412	0.7
99.04529	5.3
101.02449	4.2
103.57960	0.7
113.02447	3.3
114.63589	0.7
119.03503	1.5
125.02415	1.5
139.11386	0.8
139.62784	0.9
161.04529	1.5
211.62367	0.8
251.16512	100.0
252.16960	3.6
293.17670	1.0
338.72705	0.8
413.25848	1.5
431.27017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68338	0.6
60.07504	0.5
76.59307	0.7
78.91896	1.5
80.91682	26.5
88.27579	0.5
99.92587	1.3
106.39019	0.7
116.92856	22.5
116.97280	0.7
117.92910	0.8
123.00863	4.9
127.93138	1.5
129.51328	0.6
137.02438	1.1
139.04013	1.3
165.01942	1.5
166.27577	0.6
167.03490	8.7
169.17754	0.7
175.48416	0.6
179.03583	0.6
181.05084	0.8
193.08658	0.9
237.11292	1.2
237.15115	0.8
238.15384	0.8
262.94000	1.6
291.15921	0.9
333.17639	0.5
333.20685	24.8
334.21472	100.0
335.21664	5.7
376.22470	12.3
377.22879	0.8
391.16672	1.6
391.24887	42.1
392.25180	2.6
417.13721	0.7
473.13736	6.0
473.28979	4.1
474.17538	1.0
496.47614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79493	0.9
70.19432	0.8
70.19761	2.2
98.22667	1.0
137.02502	1.4
149.02441	6.6
155.52606	0.9
163.04066	4.6
163.07626	2.9
166.83455	0.8
177.01913	1.5
177.05539	1.1
178.06302	3.3
191.03598	1.2
206.05855	1.9
220.07324	1.0
257.22720	5.3
293.17657	6.7
319.19073	4.1
319.22708	6.6
329.21088	2.2
347.22256	70.2
348.22568	3.7
391.24887	100.0
392.25357	4.2
440.74030	0.9
474.16278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2542
Annotation	(+)-Lucidenic acid B
Peak:m/z	Relative Intensity
51.92098	0.5
59.01371	1.1
61.98823	1.1
66.63740	0.5
67.01886	1.1
69.61999	1.7
80.63361	0.5
81.18781	0.6
95.01363	2.7
96.02225	1.3
104.19662	0.6
108.02142	1.0
109.02918	2.8
110.00084	1.0
111.00838	1.0
120.22997	0.5
123.00890	22.6
123.04517	1.4
123.31387	0.6
124.01669	5.5
125.02405	1.2
137.02448	14.6
139.00360	2.1
141.76971	0.5
141.92395	0.6
151.00354	1.6
151.03970	0.8
152.01205	0.9
162.83951	0.8
165.01915	11.8
179.07086	1.6
193.08727	0.6
217.00333	0.8
235.13272	0.8
277.21735	0.7
291.19598	1.6
319.19183	0.9
354.61353	0.6
397.23752	0.8
401.26837	0.7
403.24902	0.5
427.24991	2.1
441.22980	3.8
445.25854	8.0
455.24359	2.5
458.23199	2.4
473.25427	100.0
474.25995	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	473.2905
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
55.41805	0.2
57.03432	0.2
61.98824	0.2
65.03953	0.6
66.51794	0.2
67.01888	0.5
69.38345	1.1
81.03441	1.0
95.01383	0.9
95.05028	0.3
96.02174	0.7
108.02174	2.1
109.02950	18.3
110.03725	0.8
122.03748	0.9
123.00885	2.4
123.04509	1.9
124.01666	3.7
125.02425	0.9
126.27257	0.2
133.02969	0.2
134.03755	0.2
135.04503	0.8
136.01671	0.3
137.02440	21.6
138.03235	5.1
142.02657	0.3
148.05316	0.3
150.03207	0.6
151.04001	23.0
152.01193	0.6
152.04500	0.4
161.06096	0.6
164.04756	0.2
165.05571	1.4
165.09225	0.5
177.05583	0.3
179.07176	0.5
189.09300	0.2
193.08727	1.0
198.89235	0.2
207.10306	1.0
221.11865	0.5
235.13451	0.2
249.15146	0.3
263.16583	0.5
271.05655	0.2
277.18008	0.3
305.21216	0.8
306.21844	0.4
371.25812	0.4
373.23901	0.3
383.22253	0.6
399.25314	0.5
401.23270	0.7
409.23865	0.3
415.25189	0.3
425.23242	1.2
426.23837	0.4
429.26120	0.3
440.25418	0.4
441.26425	3.2
443.24377	4.8
444.24414	0.3
457.25885	0.6
458.26715	62.8
459.27084	4.6
473.29037	100.0
474.29398	7.3
474.36127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2906
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
55.92109	0.8
56.83467	0.9
61.98810	1.7
78.95908	5.4
81.76393	0.7
87.04492	1.0
95.84435	0.8
96.96959	1.1
108.02184	6.6
109.02966	5.3
121.03036	0.9
123.00875	2.5
124.01658	14.2
125.02435	3.4
134.03680	1.1
135.04506	0.9
137.02435	8.8
138.03220	3.2
140.55472	0.7
150.03230	2.5
151.03981	9.6
152.99565	6.8
161.02452	0.9
161.06059	0.7
162.83907	3.6
163.04021	0.9
164.83620	1.8
165.05576	1.6
192.74777	0.8
281.17731	1.0
305.21213	2.3
363.24780	1.0
395.10782	2.2
397.23785	2.0
399.25409	0.9
401.23404	1.5
407.22397	1.5
408.22739	1.1
410.23914	3.5
415.24881	1.4
425.23267	8.4
426.24091	3.0
427.24594	1.4
430.18216	0.9
437.06665	0.8
441.20978	1.2
441.26523	1.4
443.24365	18.7
444.24896	1.0
458.26688	43.5
459.27100	2.6
473.29071	100.0
473.36072	7.6
474.22812	1.3
474.29306	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	473.2907
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
55.33841	0.6
59.01349	0.6
60.03459	0.6
61.98841	2.8
71.05034	1.0
81.03444	0.8
98.21974	0.6
98.28065	0.6
98.62965	0.6
103.64940	0.6
105.89372	0.6
108.02172	2.1
109.02950	11.9
110.03736	0.8
122.03726	1.0
123.00887	1.7
123.04521	10.6
124.01643	2.0
125.02465	1.7
125.87251	0.6
135.04549	0.7
137.02443	18.5
138.03247	4.0
149.02441	0.7
149.05986	0.6
151.04005	19.7
160.66571	0.6
162.83904	4.7
164.83580	2.1
165.05573	0.7
168.44833	0.5
177.05629	0.9
193.08794	1.3
196.61652	0.5
207.10240	0.7
288.17514	0.7
305.21085	1.0
306.22040	1.7
386.21158	1.7
397.27979	0.7
401.23212	1.8
402.23816	0.7
414.27783	4.3
440.25690	3.3
441.26364	2.3
443.24118	1.6
458.26733	37.1
459.27066	2.5
473.05173	1.9
473.29086	100.0
474.29498	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	473.3636
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
50.12479	0.3
50.84067	0.3
61.98832	3.5
65.53558	0.3
69.18658	0.6
69.19070	1.5
71.05028	0.5
85.06587	0.4
97.06586	3.2
98.21824	0.6
123.08125	0.5
149.09674	0.4
150.06868	0.4
151.11221	0.3
179.10779	0.6
191.10748	0.4
207.13876	0.4
219.10226	0.5
235.13402	0.3
249.14851	0.4
312.24454	0.4
327.27008	0.6
329.28540	1.0
339.27011	0.4
353.28455	0.7
355.29730	1.5
369.31680	2.1
371.33078	1.3
383.29480	1.6
409.30444	1.5
411.32599	3.9
425.34271	4.3
426.34390	0.4
427.35785	13.0
427.55334	0.3
428.36066	0.8
429.37424	2.9
439.32138	9.8
440.32672	0.6
455.35297	34.0
456.35666	2.6
473.36334	100.0
474.36697	7.7
474.41721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3634
Annotation	CHEMBL1651034
Peak:m/z	Relative Intensity
57.03482	0.4
60.81690	0.1
69.41209	0.3
69.41566	0.8
71.05047	0.6
72.00198	0.2
78.95945	0.5
85.06589	0.9
87.04546	0.2
97.06595	2.2
98.21875	0.3
98.96047	0.1
111.08170	0.3
113.09769	0.4
125.09741	0.9
151.11304	0.9
152.99609	0.5
153.12903	0.4
197.11929	0.4
211.17101	0.5
273.22336	0.6
275.23819	2.4
276.24338	0.2
315.26910	0.4
327.26871	0.2
329.24918	0.3
329.28476	1.6
332.84055	0.2
341.28320	0.2
354.32449	0.2
355.33353	0.2
369.30798	0.2
381.28165	0.1
392.08578	0.2
395.33563	0.2
397.12170	0.1
397.31137	3.6
398.31665	0.2
409.34668	0.2
411.36765	0.3
413.34232	0.9
427.35803	4.0
428.36383	0.3
429.37354	25.5
430.37650	1.6
443.35092	0.3
446.42395	0.2
454.23746	0.2
455.35455	0.8
473.36328	100.0
474.36664	7.4
491.38602	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	473.3632
Annotation	CHEMBL1651034
Peak:m/z	Relative Intensity
53.09239	0.5
55.97940	0.5
70.68299	1.1
78.95895	2.4
90.53458	0.5
136.55574	0.5
152.99615	2.8
158.19412	0.6
163.07617	0.9
171.14169	0.5
189.12862	1.6
191.14406	2.4
205.15955	2.3
207.17511	8.0
219.70987	0.5
220.85767	0.7
234.33180	0.5
243.82202	0.5
265.18076	12.9
267.19574	3.6
274.45813	0.6
397.31595	0.7
410.23877	1.5
413.34283	1.4
427.35822	0.9
429.31482	1.3
429.37347	23.7
430.37531	1.5
473.36349	100.0
474.36755	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	474.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
56.63259	1.5
57.03466	3.2
59.01380	49.9
61.98819	3.1
69.78196	3.4
71.01009	3.0
71.01382	40.1
72.99281	1.7
73.02943	17.8
75.00896	2.1
82.10004	1.8
83.01384	9.7
84.95118	16.2
85.02947	21.1
87.00865	3.5
89.02441	11.1
95.01383	5.9
97.02950	2.5
99.00871	6.6
101.02435	33.3
111.00880	2.0
113.02448	22.6
119.03468	5.1
123.00880	2.8
125.02438	31.5
126.02779	5.8
136.07690	6.2
137.02441	3.5
139.22710	1.7
141.48729	2.0
143.03505	3.6
151.03987	6.2
159.02971	3.8
161.04552	21.4
166.99860	2.0
167.03513	5.5
169.01425	25.4
170.00319	1.7
170.01749	5.6
177.01892	4.8
226.86316	1.6
229.56308	1.7
243.02972	1.8
269.10263	21.0
319.04532	2.7
322.06598	2.9
370.56479	2.1
423.07077	2.0
430.13467	5.6
431.15558	100.0
432.15854	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
61.98815	1.1
64.82754	0.4
70.56462	0.6
74.92828	0.5
78.95898	6.9
80.26345	0.5
111.34385	0.5
124.89050	0.5
129.76016	0.5
140.01208	2.5
147.37975	0.5
152.99646	0.8
187.96609	0.5
196.03796	1.4
214.04842	3.9
233.63289	0.5
277.21704	100.0
278.22064	4.6
419.82886	0.5
439.09906	0.7
474.26300	12.1
475.26971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80945	2.1
59.01374	23.1
61.98827	2.8
68.54925	1.8
70.20422	5.0
71.01381	4.8
85.02950	1.7
89.02431	2.2
96.96008	2.0
97.02970	3.5
97.95515	2.0
98.21969	2.0
99.92587	2.2
101.02441	2.8
107.01441	3.4
113.02455	2.8
113.38710	1.9
116.92847	3.3
123.00872	6.3
123.04486	5.9
124.01676	5.7
125.02447	100.0
126.02836	2.1
137.02451	2.0
151.00322	3.7
151.03984	1.8
153.84537	2.2
156.15115	1.9
161.02362	2.1
167.03508	29.0
168.00603	2.7
169.01428	33.1
177.01938	2.2
177.05721	2.0
211.02422	2.5
225.05997	2.7
226.06216	2.2
230.73634	2.2
252.45111	1.9
313.05646	11.5
400.60934	1.9
439.08813	87.6
440.09030	4.7
496.61349	1.9
503.33704	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	475.08
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72925	0.4
57.03449	11.6
58.18413	0.4
59.01379	20.8
61.98839	2.5
66.23415	0.5
69.24298	2.3
71.01379	5.6
73.02937	1.6
81.03442	1.0
83.01379	3.5
85.02950	2.0
86.13246	0.4
89.02438	2.8
95.01396	0.7
95.05016	1.5
101.02438	4.2
105.03467	3.9
113.02470	2.8
119.03513	1.2
119.04987	2.2
125.02445	100.0
126.02772	1.6
133.02974	0.7
137.02461	2.9
143.03561	0.6
145.02965	0.4
149.02441	0.8
151.04141	0.5
159.02960	0.4
161.02443	40.9
161.04388	3.8
162.02914	1.0
163.03995	1.1
165.05478	0.6
167.03487	0.6
175.03958	0.4
177.05594	3.6
179.05609	1.3
183.04713	0.5
201.05603	1.0
213.71880	0.4
216.04065	0.4
219.06683	0.9
225.05611	0.6
228.50409	0.4
243.06587	1.1
253.18210	0.4
269.04562	2.7
271.06311	0.5
287.05609	16.4
288.06067	0.7
311.07666	0.6
315.05978	0.5
415.23312	14.8
416.23825	1.1
475.12646	0.6
502.91357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82224	0.7
57.06093	0.8
59.01375	1.8
62.75589	0.8
63.56001	0.8
69.03458	2.8
70.72990	0.8
71.01381	2.3
72.99316	1.1
81.03448	2.4
88.98814	1.4
92.72039	0.9
97.02947	2.0
115.00381	3.6
124.01687	2.1
125.02447	72.2
126.02757	1.8
127.98271	0.8
129.51178	0.8
131.08275	3.7
132.93756	1.1
133.01431	9.8
137.02420	2.3
139.03973	1.4
167.03503	3.6
167.63454	0.9
169.01427	100.0
170.01746	1.8
173.10442	2.3
177.01949	4.1
255.83228	0.8
303.05045	1.1
305.06726	1.3
415.04700	1.3
425.05618	1.0
469.34625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15636	0.6
59.01374	4.0
60.99303	15.4
69.10760	4.6
71.01370	1.1
81.21270	0.7
87.64156	0.6
88.98803	100.0
89.22022	0.7
119.03437	0.7
125.02433	1.5
147.03001	0.9
152.15627	0.7
164.89537	0.7
165.47433	0.7
167.03468	2.0
169.01393	0.8
179.07106	2.6
192.00641	1.5
223.06068	0.9
231.50415	0.6
253.07323	1.2
255.05113	0.8
312.95926	0.8
327.07022	1.2
363.55573	0.7
385.11676	1.5
475.01367	0.8
475.14056	0.7
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	Napyradiomycin SR
Peak:m/z	Relative Intensity
59.01383	3.5
61.68865	0.6
61.98827	1.3
64.72663	0.5
65.37585	0.6
67.42055	0.5
71.01368	1.5
71.06198	0.9
72.03418	0.6
87.00860	1.0
88.93325	0.6
88.98789	2.2
89.02425	1.0
93.03470	0.8
98.50638	0.5
99.86893	0.6
101.02424	1.0
104.10519	0.6
108.02132	0.7
108.55932	0.5
109.02958	0.9
119.03452	0.5
120.04375	0.6
121.02950	1.3
123.04594	0.6
125.02441	3.6
129.13150	0.5
131.08273	0.9
137.02438	1.7
138.03232	0.9
139.03992	0.8
149.02440	2.5
151.03946	1.8
161.02452	1.2
161.04538	0.8
162.03215	0.8
164.01146	3.1
165.01950	4.3
166.02780	1.0
167.03461	1.9
169.01453	1.3
177.01950	1.3
178.99947	1.5
179.03456	1.0
190.02670	1.7
190.99768	0.6
191.03563	1.0
191.99182	0.7
192.00627	35.3
193.01405	93.1
194.01779	2.7
195.03021	0.9
205.01419	1.9
206.02266	2.7
207.02979	6.8
220.00072	0.6
221.00902	2.4
222.01602	1.3
223.02438	1.9
234.01646	4.3
235.02475	10.4
312.04843	11.2
313.05630	22.4
327.07104	0.9
355.06601	11.1
415.08316	0.7
415.15305	0.7
475.10898	100.0
476.11148	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	475.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69770	1.3
59.82006	1.2
62.90131	1.6
63.65359	1.4
71.01376	15.0
71.19282	1.6
72.99298	3.6
89.02431	3.2
93.54283	1.4
97.90469	1.4
109.96040	1.4
111.00871	1.9
115.00369	47.2
132.03012	2.1
132.94633	3.0
133.01430	100.0
134.01814	1.5
168.91557	1.3
180.89890	1.3
193.01357	1.6
270.02322	1.3
341.11008	3.6
377.08405	3.4
475.11014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04450	3.9
59.01376	8.1
61.98821	19.0
70.35766	8.0
89.97147	3.6
148.08852	6.1
176.08443	25.1
191.10760	100.0
197.81972	3.9
321.57083	3.5
416.73993	3.6
418.54700	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	475.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20831	0.9
55.01882	1.6
57.03444	1.5
59.01377	100.0
61.83072	0.8
65.00338	0.8
69.03448	3.6
69.26846	4.3
71.01381	49.4
72.99290	1.2
73.02949	7.7
75.00854	1.4
81.03458	3.1
83.01388	4.6
83.04967	0.8
85.02952	12.4
87.00887	4.6
88.98788	1.1
89.02442	52.1
90.02773	0.8
91.01898	11.3
92.02666	2.3
93.03462	10.8
95.01384	4.0
95.05036	1.3
97.02951	6.3
99.00870	2.7
101.02445	33.8
107.05006	1.8
108.02150	1.6
111.00906	1.4
113.02448	18.5
116.92857	2.9
119.01431	4.3
119.03504	28.3
121.02963	11.1
123.04517	4.7
125.02453	23.0
131.03522	4.5
133.02979	0.9
136.01610	1.5
137.02455	10.8
137.06085	1.9
139.00385	1.1
139.03995	1.4
139.07668	0.8
143.03513	6.9
149.04543	2.2
151.04005	79.5
152.04373	2.1
153.01923	3.4
155.07129	1.9
161.04552	9.3
165.01892	0.8
165.05579	3.0
167.03474	9.7
169.01398	2.4
177.05551	7.6
179.03577	1.1
179.05594	8.7
179.07140	2.3
181.05083	2.8
186.60020	0.7
193.05003	3.1
194.05821	4.5
195.06581	2.3
199.06174	0.9
209.04532	6.9
221.04628	1.6
221.06628	10.3
227.05591	6.7
238.04791	3.0
239.05569	7.6
245.06691	3.0
253.07175	20.3
255.05078	17.4
256.05753	1.9
263.07806	4.7
323.09842	8.7
376.43533	0.7
415.23355	9.6
443.11734	1.6
460.12183	6.4
468.32730	0.8
475.14688	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	475.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90541	0.3
59.01380	11.4
61.98824	1.0
65.00311	0.6
66.37555	0.3
69.03447	0.7
69.74415	0.7
69.74801	0.6
71.01391	4.6
72.99318	0.6
73.02943	5.8
81.03439	0.4
83.01398	0.4
85.02949	1.7
87.00875	2.6
87.04527	1.0
88.98811	0.5
89.02454	1.9
91.01893	6.2
93.03465	0.4
95.01376	0.6
96.96016	1.1
97.02973	0.4
98.22651	0.4
99.00863	0.4
101.02439	3.2
103.03998	1.3
107.01389	0.4
108.02169	5.0
109.02966	1.2
111.00898	0.9
113.02458	1.3
113.16363	0.3
115.04015	1.2
119.03512	0.9
119.04936	0.3
123.00903	0.8
123.04531	24.3
124.01714	0.7
124.04868	0.4
125.02457	6.0
126.02735	0.4
131.03508	1.3
137.02432	0.7
139.03993	0.4
143.03506	1.6
143.56020	0.3
145.05045	0.5
151.00372	1.3
151.04030	2.3
152.01189	2.6
163.06142	1.1
166.02686	1.9
167.03500	100.0
168.03844	1.8
169.01443	1.9
177.05566	1.0
179.05675	0.4
181.05084	0.7
191.79443	0.3
192.36728	0.2
193.05084	0.3
194.02307	0.8
194.05806	0.5
195.06635	0.5
205.07179	1.5
209.04547	7.8
210.04944	0.3
211.02463	0.4
213.77084	0.3
227.05566	0.7
239.05608	1.1
253.07214	2.1
255.05200	1.8
299.52142	0.3
313.05551	0.6
355.10300	0.4
373.80380	0.3
415.12463	0.6
439.08780	3.5
460.12503	0.7
475.14728	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
57.03447	2.6
58.00607	1.0
59.01378	100.0
60.99306	1.2
61.98838	2.0
69.63268	1.7
71.01380	40.0
72.99295	1.0
73.02950	18.9
75.00890	1.4
81.03465	1.0
83.01383	11.0
85.02949	21.5
85.03463	1.2
87.00903	1.3
88.98804	10.8
89.02450	10.1
95.01388	4.1
97.02962	2.5
99.00883	6.3
101.02444	39.5
103.04025	1.7
103.39036	0.8
103.50195	0.8
106.99454	0.8
109.02993	1.0
113.02444	19.6
119.03544	1.7
121.02956	4.4
125.02457	6.8
129.01984	0.9
143.03523	2.8
145.05003	0.7
151.03999	1.3
153.01968	2.6
154.17064	0.7
159.03008	3.9
161.04558	26.7
163.06177	2.7
167.03517	1.4
177.01953	1.2
219.71278	0.8
247.08374	1.2
253.18146	2.4
269.10291	48.4
270.10785	1.2
280.60489	0.7
297.06323	1.0
307.10406	1.0
327.38153	0.8
393.18149	0.8
415.16284	84.9
415.23447	24.1
416.16464	3.4
416.24188	1.2
473.41098	0.9
475.14307	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	475.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03448	1.8
59.01377	100.0
61.98820	2.3
62.28376	0.7
69.52915	2.1
69.53323	1.5
71.01380	16.2
73.02943	7.1
75.00883	0.7
83.01395	2.9
85.02950	5.0
87.00883	0.9
88.98817	8.0
89.02444	15.4
95.54578	0.6
96.96030	3.3
97.02965	1.8
99.00870	6.0
101.02443	14.6
109.66705	0.7
113.02442	8.2
119.03509	3.1
121.06606	0.8
122.95142	0.7
124.01672	1.0
125.02441	4.4
129.79805	0.7
131.03494	1.7
137.02452	2.2
137.09781	0.7
138.03265	1.2
141.01950	1.6
143.03540	1.0
149.04565	7.2
159.03012	1.3
161.04562	9.2
177.05632	1.9
179.05612	2.1
179.07175	10.3
183.03001	0.9
191.03378	0.9
191.05667	1.6
197.11870	1.4
223.06090	9.5
224.06598	0.8
227.05650	2.2
239.05571	11.6
239.07603	0.9
240.06166	1.3
241.10956	1.9
253.10149	0.7
255.05060	5.4
256.06140	0.8
271.08392	1.2
271.11819	0.9
313.10980	0.8
343.14056	1.3
394.13757	11.9
394.63931	2.9
402.11642	0.9
403.16083	1.8
415.16180	6.3
415.23523	16.9
431.19360	2.6
433.24301	1.5
460.12283	1.2
475.14761	8.2
475.21997	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Cistanoside E
Peak:m/z	Relative Intensity
57.03440	2.8
59.01379	79.3
61.98827	2.2
68.99827	0.9
69.03461	0.9
71.01382	22.2
71.05033	0.6
71.97140	0.7
72.99297	4.8
73.02953	6.5
75.00865	12.2
78.33304	0.7
78.49489	0.7
83.01392	1.5
85.02951	22.4
87.00880	6.0
88.98792	1.7
89.02439	9.1
95.01371	5.7
96.39802	0.8
97.02949	0.9
98.09401	0.7
98.22776	1.4
99.00882	10.2
99.04488	1.4
101.02440	7.6
103.00384	2.6
111.00869	0.8
111.74654	0.8
113.02450	25.3
115.00372	2.1
117.01934	2.2
119.03484	3.4
125.02445	1.3
127.04066	1.1
129.01944	1.1
139.11288	14.8
157.01433	1.1
161.04562	4.0
163.11226	1.0
175.02483	2.7
179.05582	1.6
181.12332	8.3
183.10257	14.5
193.03557	1.7
225.11317	2.6
243.12350	1.4
249.06116	6.6
307.08267	0.8
321.80786	0.8
413.18240	1.1
415.23306	18.1
416.23395	1.0
431.19028	7.5
455.51730	0.8
457.16931	6.8
475.18152	100.0
476.18430	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03440	3.3
59.01377	81.1
59.25130	1.0
60.01697	1.4
61.98810	3.0
67.01862	1.1
69.03436	1.2
69.59187	3.2
71.01377	28.5
72.99303	3.3
73.02941	11.2
75.00865	13.1
80.14690	0.9
83.01388	4.2
85.02947	16.1
87.00883	5.8
89.02441	11.7
95.01359	5.3
97.02924	1.4
99.00887	9.1
101.02444	14.9
109.02936	2.7
111.00879	1.0
111.04470	1.0
113.02446	19.2
115.00320	1.4
116.92885	0.9
117.01896	1.2
118.92648	0.9
119.03495	4.6
123.04562	1.5
125.02428	14.3
129.01978	1.5
131.03590	1.3
137.02417	2.6
143.03516	1.7
145.02892	2.1
148.42355	0.9
150.42137	0.9
151.00374	1.0
152.01181	1.1
157.01454	1.4
159.02975	2.1
161.02417	2.9
161.04561	9.3
163.11258	2.7
165.01982	1.7
167.03490	2.8
175.02592	2.0
179.05594	1.7
181.12332	29.7
181.13905	2.1
182.12547	1.1
185.06030	1.1
203.07118	1.1
225.11292	7.8
231.05070	1.8
249.06108	14.0
253.18062	5.6
271.06039	6.3
271.19366	1.1
287.05542	1.2
289.07047	11.1
299.15048	5.1
332.96051	0.9
337.21841	1.1
372.26724	0.9
389.21402	1.0
413.18243	4.7
415.23373	28.8
431.22888	6.2
432.23810	1.0
457.17169	2.3
475.18143	100.0
475.24084	3.8
476.18597	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	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.68280	0.7
60.01718	0.8
61.98828	5.3
71.01374	4.4
73.02950	1.2
76.78249	0.6
83.01388	1.1
85.02939	1.7
89.02462	2.6
98.22697	1.2
101.02447	2.6
113.02469	0.8
116.92859	1.1
125.02460	1.1
161.04578	1.2
182.57408	0.7
197.83029	0.6
253.18117	1.6
272.83865	0.6
344.27109	0.8
415.23450	7.6
475.20236	0.9
475.29401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
56.43530	0.2
57.03457	0.4
58.00594	0.5
59.01376	37.8
59.98521	0.5
60.01704	0.1
61.98833	0.8
69.03456	1.9
69.29793	0.4
71.01379	16.2
72.01719	0.2
72.99304	0.7
73.02941	8.2
75.00873	0.4
81.03458	1.5
83.01375	1.6
83.05013	0.3
85.02946	6.5
87.00877	1.0
87.04506	0.3
89.02441	11.2
95.01405	0.4
97.02941	3.2
98.03730	1.7
98.21844	0.3
99.00883	0.8
99.04523	2.0
101.02438	15.1
102.02826	0.2
103.04008	11.3
109.02950	0.3
113.02441	1.3
115.04024	0.8
116.51836	0.1
117.17039	0.1
119.03494	5.8
125.02439	12.9
126.02737	0.2
127.04030	1.1
129.01971	0.2
131.03484	0.5
137.09782	0.1
143.03468	1.6
145.05070	1.8
149.09735	0.2
161.04550	0.3
163.06119	8.9
164.06415	0.2
167.10765	100.0
168.11105	2.3
187.06058	0.3
205.07141	1.0
227.16519	0.2
229.07176	0.3
247.08220	4.3
253.18138	0.2
256.56238	0.1
271.19107	0.3
289.09317	0.4
304.52475	0.1
307.10324	4.9
308.10693	0.2
415.23413	1.1
433.24268	0.2
475.25208	0.5
489.61841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61324	0.3
55.01880	1.3
57.03432	1.0
58.00595	0.6
59.01377	100.0
60.01700	0.6
61.98833	0.9
64.57014	0.4
69.03458	2.7
71.01378	42.0
72.01718	0.5
72.99318	1.1
73.02940	4.6
74.81804	0.4
75.00867	0.9
81.03461	1.4
83.01377	2.8
83.26093	0.4
85.02941	9.3
85.61592	0.4
87.00873	2.8
88.98826	0.9
89.02441	48.6
91.01343	0.3
91.01892	7.2
92.02683	1.6
93.03452	7.5
95.01374	2.8
97.02954	4.6
99.00878	1.9
101.02438	28.8
102.14259	0.4
107.05025	1.6
108.02200	0.4
108.57629	0.5
111.00888	0.8
112.26310	0.4
113.02443	19.3
114.02803	0.4
119.01402	3.0
119.03497	24.3
121.02948	7.6
124.01679	0.5
125.02442	15.5
131.03502	4.0
136.01666	0.7
137.02431	7.1
137.06087	0.7
139.03987	1.4
143.03506	5.4
149.04544	1.1
151.03999	52.3
152.04323	1.3
159.03053	0.4
161.04555	8.8
162.65384	0.4
167.03484	2.0
168.63455	0.4
169.01427	1.6
177.01930	0.4
179.05603	13.7
179.07156	0.9
181.05157	0.4
202.04132	0.4
205.12238	0.8
209.04500	1.0
221.04688	0.7
221.06650	7.0
235.13403	0.5
245.06644	1.2
253.07143	0.4
253.14459	3.0
253.41110	0.4
263.07648	2.5
271.04538	0.4
319.04483	0.5
323.09882	5.7
376.57654	0.4
415.19040	1.7
415.24063	5.1
449.68518	0.5
475.14105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
56.40943	1.3
57.03443	3.6
59.01380	100.0
61.98812	4.1
65.29478	1.3
69.16528	1.3
69.41406	4.9
71.01379	34.2
72.99298	2.1
73.02943	15.4
75.00854	3.3
75.28201	1.4
83.01382	9.0
85.02952	19.5
86.00085	1.5
87.00863	5.4
89.02451	14.5
95.01377	5.0
96.96014	17.1
99.00877	5.8
101.02447	30.3
111.00816	1.6
113.02461	18.0
117.35597	1.3
119.03500	3.9
125.02425	5.2
138.30537	1.5
143.03424	2.0
159.02931	2.8
161.02472	2.0
161.04556	11.5
163.11311	3.1
179.05566	3.4
181.12372	2.4
225.11369	2.5
226.65155	1.8
249.06107	2.2
250.34657	1.5
253.18210	3.3
267.07202	10.1
294.00677	1.5
312.12634	1.5
315.69409	1.6
324.83093	1.7
373.58334	1.6
387.23758	4.9
415.23352	45.3
416.24182	1.9
431.22842	65.0
432.23019	4.1
433.24112	2.0
475.17691	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	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
57.03443	4.8
59.01379	100.0
59.91129	1.2
60.01706	1.1
61.98817	3.9
69.03469	1.4
69.25120	3.9
69.25523	2.4
71.01379	40.2
72.99311	2.6
73.02942	15.2
75.00883	5.5
83.01392	9.0
83.03327	1.1
83.45852	1.1
85.02946	25.1
85.17247	1.0
86.00101	1.7
87.00877	3.3
89.02438	13.0
95.01388	4.4
95.04994	2.2
96.96007	23.7
99.00885	5.8
101.02437	32.5
111.00872	3.3
113.02450	23.6
119.03495	4.5
125.02416	6.7
129.09195	1.6
143.03485	1.1
149.74025	1.2
159.03012	2.6
161.02458	2.6
161.04549	14.0
163.11296	4.2
167.39215	1.2
179.05585	2.4
181.12364	1.6
225.11362	4.9
249.06149	4.1
253.18105	1.6
265.06146	1.2
267.07230	11.5
299.15030	1.6
346.30627	1.2
387.23944	5.8
415.23355	57.5
416.23441	2.3
431.22873	68.4
432.23068	3.8
433.23685	1.4
435.04910	1.2
472.98578	1.3
475.17929	33.5
475.23761	2.4
476.18399	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28115	0.4
57.03450	0.7
59.01377	100.0
71.01379	8.8
71.44701	0.5
73.02932	2.6
79.77876	0.5
83.01397	1.0
84.95161	0.5
85.02944	4.5
87.00875	1.1
89.02441	5.9
95.01413	0.8
97.02963	0.6
99.00871	0.7
101.02441	7.8
113.02463	5.2
115.00470	0.6
119.03493	2.4
123.00948	0.5
123.04540	1.5
125.02429	3.8
128.95300	0.6
143.03502	0.8
153.05638	0.7
159.02997	1.2
161.04568	8.3
167.03496	4.4
168.00961	0.5
169.01463	1.6
179.05659	1.9
182.02257	0.9
197.04503	3.0
198.39514	0.5
219.16193	0.5
236.48007	0.5
270.58972	0.5
415.23358	26.0
416.23788	1.5
439.08774	1.9
475.25400	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26304	1.0
55.01871	2.1
56.71054	0.9
57.03429	2.0
59.01379	100.0
61.98832	5.6
69.35192	3.8
71.01385	30.0
73.02934	7.9
75.00864	1.6
83.01363	3.6
85.02949	13.6
87.00856	1.1
88.43929	1.1
89.02441	16.1
95.01379	2.3
99.00870	3.1
101.02448	21.3
103.01482	1.5
113.02453	14.6
119.03492	7.7
123.04478	1.3
125.02453	6.3
137.02481	1.9
143.03471	2.2
145.02951	2.7
145.98677	1.0
149.02556	1.2
159.02933	2.5
161.04572	21.7
167.03497	1.9
179.05531	4.9
185.06245	0.9
217.16000	1.1
250.76903	1.1
253.18077	6.5
271.06110	3.7
289.06927	2.3
307.42953	1.3
415.23346	99.3
416.23743	4.6
439.10156	2.7
475.25000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01376	100.0
69.34987	1.4
69.35373	1.3
70.10250	0.6
71.01374	18.2
73.02943	6.7
75.69173	0.6
83.01391	1.6
85.02952	5.3
87.00857	0.9
89.01648	0.6
89.02439	14.4
95.01416	1.1
98.22592	1.0
99.00871	4.1
101.02439	14.1
113.02442	6.9
119.03509	2.8
125.02426	1.2
127.07574	0.6
131.03523	2.1
143.03557	1.3
144.34361	0.6
149.04536	6.8
159.03030	1.1
161.04564	12.8
167.03506	0.7
179.05597	1.0
191.05667	1.8
200.50885	0.6
251.07730	1.1
253.18112	3.2
415.16373	4.9
415.23309	36.0
416.23785	1.1
475.25589	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	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03436	0.9
59.01377	100.0
59.16954	0.4
60.01720	0.6
60.99323	0.7
61.98829	1.3
70.86466	0.7
71.01377	16.2
72.64288	0.4
72.75246	0.4
72.92961	0.6
73.02950	6.6
83.01397	2.4
85.02950	7.1
87.00884	0.7
87.13899	0.4
88.98801	6.6
89.02444	5.0
95.01432	1.3
97.02937	0.6
99.00908	2.0
101.02441	13.5
113.02452	7.2
119.03535	0.6
125.02472	1.6
143.03491	1.3
159.02997	2.4
161.04555	15.8
169.01450	0.8
179.05576	0.4
201.02351	0.4
253.18123	3.6
269.10330	3.2
278.36331	0.5
415.16376	6.5
415.23355	46.2
416.23755	2.3
417.98590	0.5
441.46576	0.5
459.22495	0.7
475.25360	4.3
494.99112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.8
57.03433	0.8
59.01374	100.0
61.98857	0.8
69.34189	2.8
71.01379	13.5
73.02938	5.6
83.01398	1.5
84.32440	0.7
85.02940	6.1
87.81033	0.6
89.02462	1.0
95.01418	0.7
99.00887	1.5
101.02441	11.5
113.02438	6.4
125.02441	0.7
136.12987	0.7
143.03555	0.8
159.02998	2.3
161.04549	20.5
161.05809	1.2
196.71777	0.6
205.03488	0.6
215.10428	0.6
253.18208	1.8
340.91278	0.6
382.01563	0.8
400.13345	0.6
415.23349	37.7
416.23709	1.7
475.25354	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	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
59.01377	100.0
70.03268	0.4
71.01380	11.1
71.44569	0.5
72.99301	0.6
73.02940	3.9
80.96629	0.4
83.01393	1.8
85.02947	5.1
87.00905	0.5
88.98809	1.3
89.02455	2.7
95.01426	1.0
99.00903	1.7
101.02428	8.4
101.02992	0.6
111.00837	0.6
113.02431	5.3
116.50291	0.5
121.02960	0.7
122.16180	0.5
125.02455	2.0
143.03539	1.1
149.44641	0.5
159.03023	1.7
161.04544	9.6
161.05833	0.6
169.01323	0.5
179.05655	1.3
299.45734	0.6
415.23337	28.9
416.23810	1.5
433.24457	1.1
459.22021	0.9
475.25534	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.25792	0.5
57.03450	0.8
59.01378	100.0
60.01706	1.3
61.98828	2.4
64.38853	0.5
65.99181	0.6
69.71434	1.0
69.71832	1.0
71.01380	16.0
73.02948	6.8
78.95904	0.7
83.01382	2.4
85.02955	7.1
87.00879	1.1
88.98819	0.7
89.02447	6.0
92.57336	0.5
92.70850	0.4
95.01405	1.0
96.95973	0.5
99.00921	1.2
101.02442	15.4
101.03093	0.9
104.92785	0.5
109.02982	1.0
110.72134	0.5
110.79984	0.6
113.02457	7.9
119.03521	3.4
124.01787	0.8
125.02491	1.8
131.03477	0.5
139.04039	0.6
143.03548	1.7
152.03583	0.5
153.01981	1.6
159.03024	1.9
161.04562	11.9
161.05818	0.9
165.46794	0.5
175.85516	0.4
179.05667	1.9
205.16068	0.6
206.07713	0.5
235.13477	1.4
235.17169	0.9
242.40366	0.5
253.10844	0.6
253.18239	1.5
313.20438	0.6
328.44934	0.5
350.11023	0.5
391.23605	0.6
415.23361	45.3
416.23541	2.3
437.10913	2.8
462.06631	0.5
475.25656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.50971	4.3
61.98794	5.4
62.01874	3.9
70.53980	3.8
78.95913	5.1
81.03461	9.4
99.70947	3.7
99.92523	4.2
103.92120	3.9
105.30972	4.8
107.85605	4.1
123.04559	20.4
137.02434	4.7
141.01703	57.2
142.87643	7.0
153.92282	4.4
156.26147	4.4
158.67242	3.9
158.89311	8.3
192.02394	10.2
230.64220	4.3
251.12894	5.2
263.01715	4.3
276.93182	4.8
279.16055	5.4
311.16629	4.2
333.24341	5.7
335.14987	3.9
349.20090	14.8
359.20364	39.2
370.06937	4.2
400.63306	4.3
403.12076	14.8
413.23087	6.2
431.28091	8.2
439.09671	42.0
439.28598	21.6
475.21481	42.3
475.27786	30.3
476.18582	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	475.2698
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
55.01867	2.7
59.01361	2.4
61.98832	3.8
68.58257	0.6
69.03457	0.8
70.35373	1.1
71.01373	1.4
72.02132	0.7
81.03420	0.7
85.02923	0.9
92.96590	0.8
95.01370	1.2
95.05032	0.9
96.99300	1.9
97.02920	1.6
98.22746	0.7
106.22292	0.6
108.02165	1.4
110.03732	1.0
111.00864	2.6
112.98839	1.0
122.03697	1.0
123.00887	6.1
123.04492	1.6
125.02435	2.3
125.87341	1.6
129.01913	3.1
135.04524	1.0
136.05301	14.8
137.02412	1.9
137.06142	0.9
149.06067	9.1
151.00398	0.7
163.07634	1.8
165.01900	2.6
173.06200	0.7
175.03944	0.7
177.09201	1.6
188.04761	4.6
191.10783	1.7
193.08641	0.8
205.12236	1.0
219.13844	0.7
233.15375	0.9
247.17020	1.1
248.88087	1.6
261.18597	0.8
273.18674	1.1
275.20093	2.6
287.20450	0.8
299.20294	0.7
301.21808	1.5
301.25198	1.4
303.23230	1.4
315.23315	1.9
327.26794	2.6
329.24655	3.3
343.22763	1.2
345.24414	3.0
346.24658	0.8
349.20114	7.3
353.24893	1.9
355.26389	33.9
356.26718	2.8
357.24292	6.9
357.28128	1.8
359.25845	13.9
359.29706	3.4
360.26224	1.3
361.27536	2.6
363.25354	2.3
369.28067	1.9
371.25885	13.4
372.26184	1.1
375.29004	12.9
377.26929	1.1
381.24362	11.5
387.29074	18.9
388.29535	1.4
389.26947	3.1
399.25354	100.0
400.25742	6.0
401.27130	3.9
403.28528	6.1
404.28983	0.8
413.26868	8.0
425.23438	0.7
431.28018	16.9
432.28564	0.9
439.09650	3.8
457.25912	1.5
460.04956	0.9
475.07523	11.2
475.27002	16.8
475.33636	0.7
476.27335	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	475.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14651	1.6
57.03444	2.2
61.98834	2.1
69.32145	7.8
71.01374	3.0
77.00663	36.6
96.99272	3.9
98.21871	3.6
108.02156	3.1
111.00868	4.3
112.98865	2.8
121.02940	3.6
122.03742	35.6
125.02420	4.1
129.01941	4.8
135.04517	7.9
136.05280	8.4
149.06049	12.0
163.07657	2.0
177.09207	2.1
233.15280	2.4
282.40543	1.6
327.26831	3.0
337.21710	42.5
338.21902	3.5
343.26361	3.4
345.24255	16.5
353.24878	1.7
355.26395	60.9
356.23465	5.6
357.27737	3.2
363.25381	4.2
371.25787	10.6
375.29022	15.2
381.24225	15.7
384.23129	15.4
387.29071	27.9
388.29559	1.8
399.25333	100.0
400.25748	5.6
401.26917	6.5
403.08975	2.1
403.28534	39.1
428.64447	1.8
431.28015	32.3
457.25616	2.1
457.33133	2.9
475.22092	2.2
475.26749	15.7
475.37033	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	475.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74307	0.9
57.25475	1.2
65.61399	0.9
78.95908	3.9
97.48778	0.9
99.92599	1.0
100.96658	1.0
115.00901	0.9
135.08188	4.9
137.02469	0.8
150.06871	5.4
152.99550	3.5
163.07648	100.0
164.07990	2.4
171.03398	0.9
189.89807	1.0
205.18741	0.8
281.17554	1.4
320.19788	2.1
362.51935	1.1
387.29245	1.1
402.27594	2.5
417.30078	52.9
418.30383	3.1
475.30161	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	475.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.4
61.98816	1.0
69.87640	2.6
71.11047	0.9
78.95906	1.1
85.02946	1.1
101.06075	17.7
135.08142	3.4
141.34630	1.1
150.06831	2.2
152.99608	2.0
163.07651	100.0
164.07965	1.8
274.49237	0.9
358.24948	2.4
371.29465	1.3
373.27463	40.3
374.27344	1.6
383.66522	1.0
457.33090	32.0
458.33502	3.5
475.37607	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	475.3791
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
50.85479	0.5
53.86414	0.5
57.86551	0.5
59.01381	1.4
61.98823	0.7
69.71113	1.3
69.71505	1.2
77.60359	0.8
78.95918	1.1
92.53130	0.6
94.68273	0.6
162.06859	0.9
221.18973	0.6
391.06262	1.0
395.29730	0.8
439.09634	1.5
439.28461	17.7
440.28717	1.1
475.12094	2.6
475.37897	100.0
476.38272	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	476.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41628	0.3
59.01378	4.1
59.97055	0.3
60.01687	0.4
61.98827	100.0
69.14687	1.9
71.01382	0.4
81.33404	0.3
82.48788	0.3
85.02992	0.3
94.82895	0.3
110.49265	0.3
125.02491	0.4
131.17322	0.3
172.44461	0.3
225.50751	0.3
275.65158	0.3
331.04443	0.3
439.82001	0.3
496.49484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.5
61.98829	100.0
64.79328	0.5
71.44630	0.7
98.32640	0.6
125.02466	0.8
149.83853	0.6
155.10861	0.9
169.26608	0.5
190.99954	0.8
216.16454	0.5
218.85735	0.6
476.13217	0.6
476.26639	0.7
477.21329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41941	1.0
61.98847	1.1
66.24612	1.0
73.38374	1.1
89.93478	1.1
102.04696	1.0
113.54845	1.0
115.20451	1.0
149.02419	4.4
163.03938	3.1
177.01967	1.0
178.06279	1.6
206.05791	1.3
257.22678	3.7
293.17587	5.8
319.19052	3.3
319.22711	4.5
321.26648	1.1
347.22235	66.3
348.22412	3.8
391.24872	100.0
392.25174	6.4
394.25589	2.1
448.52576	1.1
476.22852	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	476.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86413	1.5
61.98827	4.8
69.42833	3.5
69.43223	3.0
73.11788	1.5
79.96598	1.8
80.51757	1.5
82.47962	1.9
84.00907	100.0
119.94707	5.3
142.87662	3.1
149.17776	1.6
163.07573	1.9
165.01921	2.6
167.03526	2.5
183.53041	1.6
197.99873	1.5
333.20694	13.2
334.21432	43.0
335.21768	2.2
370.08804	1.8
376.22354	3.9
391.24927	17.9
418.18848	1.6
468.14484	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	476.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59420	0.3
61.98827	100.0
159.02348	0.3
251.99063	0.3
265.14645	0.4
279.23450	0.4
413.26678	0.5
474.69836	0.4
476.22736	0.4
501.45309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68015	0.2
61.73238	0.3
61.98816	0.5
64.97485	0.3
66.20834	0.3
72.53373	0.2
73.40174	0.3
78.95901	100.0
95.65375	0.3
96.96954	8.2
99.00840	0.3
99.92597	0.4
103.03323	0.3
121.02978	0.2
134.92159	0.3
140.01178	0.7
150.97984	0.3
152.99583	16.7
171.00635	19.6
175.78459	0.3
214.04861	0.5
278.16479	0.3
279.23251	3.0
306.55643	0.2
351.83621	0.2
390.86292	0.3
402.23978	1.4
432.24051	0.4
444.24628	0.9
476.27805	58.5
477.28146	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	476.278
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.07394	0.1
54.23379	0.1
59.01376	0.4
59.80918	0.1
61.98828	0.3
70.66616	0.1
71.74706	0.1
78.95898	5.8
101.96389	0.1
102.93351	0.1
109.95045	0.1
122.00144	0.3
140.01169	2.6
152.99562	0.5
196.03783	1.0
214.04828	2.8
259.20435	0.2
261.22229	0.3
279.23270	100.0
280.23615	4.4
440.09543	0.2
476.27805	10.8
477.28098	0.7
480.43759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81052	0.4
53.07659	0.4
54.78572	0.5
59.01374	0.9
61.98803	0.7
62.69288	0.4
74.11018	0.5
78.95902	21.6
93.86060	0.4
96.15311	0.5
120.62788	0.4
120.68872	0.4
137.02467	0.9
140.01195	6.6
150.84554	0.5
152.99577	2.0
171.00597	0.7
181.76714	0.5
196.03816	10.3
214.04892	3.1
279.23288	100.0
280.23572	4.0
305.04807	1.0
350.20532	2.2
402.11017	0.7
403.12076	4.1
404.12460	6.7
416.15530	0.6
438.08984	1.5
439.09735	1.2
440.09854	3.9
441.09512	1.3
476.27823	34.4
477.28186	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	477.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12270	0.8
53.85855	0.8
56.32191	0.8
57.03449	7.7
59.01379	9.8
61.98825	2.0
65.00334	0.9
69.34055	0.7
69.37590	3.6
71.01364	1.8
72.28339	1.0
81.03456	2.0
83.01368	1.9
89.02432	1.5
93.03436	1.4
95.01368	5.4
95.05019	1.2
95.06246	0.7
95.16092	0.7
95.43982	0.7
98.21853	1.6
100.98565	1.0
105.03439	2.9
108.02213	1.3
109.02953	47.1
121.02988	1.6
121.91453	0.9
123.00891	13.4
124.01643	0.9
125.02445	78.0
126.02746	1.4
133.03020	1.3
135.00916	1.2
137.02441	4.0
139.00357	1.4
139.04021	2.0
141.01924	1.1
145.81923	0.8
147.00830	1.1
149.02457	2.3
153.01936	100.0
154.02219	1.4
160.93230	1.0
161.02437	31.1
161.04453	1.3
162.03081	1.1
163.00380	3.5
164.01157	3.8
165.01930	3.3
166.99850	9.4
167.03505	2.5
168.00676	1.0
169.01550	1.0
177.01900	2.7
177.05568	3.2
179.03450	1.2
189.01901	0.9
190.99867	12.2
192.00629	16.4
193.01331	3.6
201.05577	2.0
205.01379	2.7
207.03017	2.8
208.00111	1.6
220.00154	1.4
221.00876	7.8
224.97552	0.9
233.00851	4.2
234.01662	2.1
235.18590	0.9
241.05150	0.9
269.04514	3.9
287.05585	18.2
305.06659	6.0
441.08075	8.3
442.08646	1.3
477.06561	11.2
477.16934	5.2
477.21625	0.9
477.23581	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	477.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71789	0.9
55.73176	0.7
57.03428	0.7
58.23255	0.7
59.01368	4.3
69.07311	5.7
71.01393	3.6
72.99301	0.8
73.02931	0.9
75.00869	2.7
81.03457	0.7
87.00874	2.0
89.02434	2.7
101.02430	0.8
108.02169	58.3
109.02953	13.2
115.00369	1.7
119.03476	1.1
133.01384	1.9
133.02931	1.2
134.94429	3.6
135.02991	8.4
135.04630	0.8
151.03947	1.0
152.01138	46.1
153.01935	24.0
161.04451	1.0
163.04024	1.1
165.01920	1.3
165.04044	1.4
217.92259	0.7
285.06137	100.0
286.06476	2.8
341.10873	5.2
376.31583	1.0
377.08392	1.1
379.08102	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25962	0.3
59.01374	12.7
61.01814	0.5
61.98825	4.0
69.19837	2.2
71.01392	1.9
73.02982	0.5
74.79493	0.4
89.02440	1.2
101.02471	0.9
107.01463	0.5
109.02930	0.5
113.02474	0.5
124.01680	1.6
125.02419	0.6
137.02435	0.4
145.02913	0.4
151.00377	1.8
152.01166	1.1
153.01930	0.8
161.04578	0.8
162.89052	0.4
163.00404	1.1
164.01060	0.9
178.99802	2.0
199.04041	0.5
203.03539	0.9
214.02701	4.2
215.03534	1.4
226.53000	0.5
227.03546	1.2
231.02957	0.9
232.03816	0.8
242.02206	5.8
243.02985	8.7
257.04596	1.7
259.02411	4.5
270.01648	6.4
271.02457	33.5
272.02875	1.1
285.04095	4.2
286.04764	1.4
287.01962	25.8
288.02539	1.9
299.01944	1.4
300.02658	1.1
314.04343	7.1
315.01462	25.5
315.04767	1.4
316.02203	100.0
317.02597	4.4
330.03809	1.9
331.04562	65.7
332.04749	2.9
416.23648	1.4
417.24368	1.2
462.07507	1.0
477.10330	40.3
478.10846	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22760	0.3
59.01376	2.9
59.32752	0.3
61.28920	0.3
61.76210	0.3
61.98816	1.3
69.11393	1.9
70.27022	0.3
71.01365	0.4
91.01917	0.4
95.01392	0.3
101.02410	0.4
105.03445	0.3
107.01392	0.3
107.39643	0.3
108.02171	1.2
121.02950	0.4
123.04516	0.6
124.01645	0.5
125.02447	0.6
133.02948	0.9
136.01620	1.7
138.03232	0.5
148.01662	0.3
149.02480	0.9
151.00406	0.8
152.01157	1.3
153.01933	0.5
161.02437	1.7
161.04573	0.4
162.03204	1.3
164.01149	9.0
165.01828	0.4
166.02658	1.0
167.03468	2.0
177.01912	6.0
178.99867	2.0
189.01857	0.4
190.02715	2.6
192.00642	100.0
193.01360	8.4
194.02180	3.8
202.06075	0.3
205.01422	2.1
206.02187	2.0
207.02982	55.3
208.03360	1.3
209.04518	2.1
220.01289	0.3
221.00888	0.6
222.01645	1.1
226.03438	0.3
232.03940	0.4
234.01674	7.2
235.02623	0.6
237.03894	0.8
249.04016	4.1
254.04276	0.3
269.06650	6.0
299.07831	0.5
309.06155	1.3
312.04752	0.5
327.07260	0.7
417.24789	1.0
462.07852	0.8
477.10358	7.4
478.10477	0.7
489.92847	0.4
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
59.01379	5.0
61.98829	5.3
69.38083	2.3
71.01373	1.3
85.18903	0.4
89.02477	0.9
93.97598	0.4
101.02447	0.6
108.02209	0.5
109.02943	0.6
113.02455	0.8
121.02940	1.2
123.00867	0.4
123.04529	3.3
125.02419	1.5
133.02892	0.5
133.58472	0.4
136.01662	2.2
137.02446	1.5
138.03223	0.7
145.02945	0.5
149.02440	1.5
150.03163	0.5
151.03978	0.5
161.02426	2.7
162.03238	1.3
164.01131	8.8
165.01926	2.1
166.02707	0.6
167.03497	3.0
177.01947	1.2
178.99783	2.7
179.03355	0.5
181.04993	0.6
190.02736	2.5
191.03506	1.1
192.00639	100.0
193.01398	40.0
194.02138	3.6
205.01448	2.5
206.02185	1.9
207.02974	39.5
208.03381	1.3
209.04472	1.0
221.00922	1.3
222.01682	1.2
234.01651	7.3
235.02461	2.0
236.02562	0.5
237.04065	0.7
249.03987	2.9
276.02539	0.6
309.06110	1.8
315.08820	0.9
401.99429	0.5
416.23782	1.0
417.24692	1.8
462.07925	2.9
474.85248	0.5
477.10373	42.4
478.10696	2.0
488.29996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03447	0.4
59.01382	14.5
60.01699	0.5
61.01812	0.4
61.13541	0.2
61.98832	3.8
69.33858	0.3
69.34130	1.3
71.01384	4.6
73.02959	1.6
78.98524	0.3
83.01385	0.6
85.02958	1.4
89.02451	1.5
91.01896	0.4
91.05519	1.1
95.01382	0.3
97.02946	0.3
99.00874	0.7
99.25969	0.2
101.02444	3.6
103.05541	7.6
105.07093	0.3
109.02985	0.3
113.02447	2.1
119.03487	0.7
119.05038	0.8
123.00879	1.1
123.04479	0.4
124.01678	0.8
125.02450	2.4
135.04517	1.7
137.02417	0.8
137.06096	1.1
139.00273	0.3
139.04045	0.7
143.03481	0.4
145.02986	0.6
147.04529	10.7
149.02440	0.5
149.06087	0.5
159.03049	0.3
159.04515	0.3
160.05273	0.4
161.04552	2.5
161.06041	1.0
162.03241	3.4
163.04027	4.4
164.01178	0.3
166.99843	1.5
167.03494	0.5
168.00630	0.8
173.17938	0.3
175.04063	0.4
176.01088	0.6
177.02013	0.9
182.02167	0.5
182.65169	0.3
183.02962	1.4
189.05580	0.8
190.02756	0.8
191.03502	100.0
192.00658	0.9
192.03835	2.8
193.05084	0.9
203.07159	0.4
205.04988	0.3
207.02992	1.0
210.01659	2.8
221.04677	0.3
222.83682	0.2
225.04042	7.0
233.04575	1.4
245.08249	0.4
254.18481	0.5
271.06140	1.2
285.06183	2.1
289.07150	1.8
315.05087	0.8
315.18182	1.5
323.77127	0.3
351.58572	0.3
386.63281	0.3
416.23596	1.4
417.24869	6.3
439.10275	0.5
477.10434	9.9
477.23331	4.0
478.10745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64662	0.4
50.87191	0.3
55.01867	0.4
57.03421	0.5
59.01376	22.4
60.01700	0.5
61.01783	0.4
61.98535	0.6
61.98827	6.2
68.99816	0.3
69.23717	1.7
71.01376	4.9
72.01707	0.3
72.99302	1.3
73.02946	2.4
77.03986	0.4
83.01381	1.1
85.02956	2.0
87.00871	0.7
87.04507	0.4
88.98795	0.4
89.02428	3.2
89.03961	1.2
91.01897	0.4
93.03439	0.9
95.01375	1.1
95.05017	0.6
99.00901	0.8
101.02443	4.3
104.06191	0.3
105.03445	2.1
109.02930	0.8
111.00912	0.4
113.02463	2.1
119.03491	0.7
119.05088	0.3
121.02969	4.0
123.00863	1.4
123.04521	2.2
125.02470	1.9
126.90412	0.4
129.01859	0.3
131.05011	0.7
132.02173	0.6
133.02953	11.2
135.04454	0.4
137.02422	0.5
138.03273	0.4
139.04054	0.6
143.03500	0.8
147.04504	0.7
148.01630	3.3
149.02440	8.5
151.07672	0.4
153.01956	0.8
153.05539	0.4
161.02431	0.8
161.04527	1.6
161.52443	0.3
163.03905	0.5
164.01149	0.4
166.99861	0.6
167.03525	0.7
169.01445	1.0
175.03996	0.8
176.01201	0.3
177.01915	100.0
178.02252	2.3
178.99864	0.3
179.03488	1.2
179.05675	0.8
179.07147	0.5
189.01840	0.3
190.02754	0.7
190.99881	0.8
192.00627	3.0
193.01434	0.7
205.01506	0.4
207.02988	2.3
219.02966	1.9
221.00957	0.5
234.01738	1.0
239.05522	0.4
249.03990	1.3
255.19768	0.5
269.17633	0.8
271.02496	1.7
287.02090	2.1
287.04984	0.4
295.81931	0.4
309.06100	0.9
315.01505	2.4
316.02200	6.0
331.04599	4.1
345.19080	0.5
353.04465	0.4
355.04431	0.8
373.22375	0.4
405.24860	0.7
416.23669	0.7
417.24817	4.6
433.24384	0.4
435.25909	0.6
477.10550	4.0
477.22879	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15641	0.4
57.03431	0.5
59.01374	8.4
59.05116	0.4
60.99304	13.7
61.98817	1.1
64.21834	0.4
64.47785	0.4
69.97733	0.4
71.01377	4.6
73.02950	0.5
85.02956	1.0
87.66882	0.4
88.98799	100.0
89.02433	3.5
89.42659	0.4
89.99173	0.8
100.54342	0.4
101.02423	1.7
109.86220	0.4
113.02443	1.5
119.03482	1.1
125.02435	1.1
131.03445	0.5
148.90965	1.0
153.01955	1.0
161.02408	0.5
161.04552	0.7
163.07726	0.7
179.05634	1.3
183.07796	1.0
225.07693	1.2
253.01706	0.4
253.10776	0.6
253.51103	0.5
278.99588	0.9
297.00748	0.5
314.97281	1.0
340.87085	0.5
345.11774	2.6
387.12772	0.9
433.17105	0.5
441.05038	1.6
465.81790	0.4
473.03790	0.5
477.03137	0.5
477.16312	1.8
502.71561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37528	0.5
59.01375	4.0
59.45713	0.4
59.46021	0.4
60.99306	15.1
61.98825	1.3
62.33979	0.5
70.27486	1.0
71.01369	1.1
72.50148	0.5
78.39017	0.4
85.02937	0.6
88.98803	100.0
89.02440	0.6
89.99113	0.6
97.06625	0.6
101.02464	1.0
113.02435	0.7
118.66612	0.4
125.02419	1.4
125.06102	5.6
131.07158	0.5
142.02487	0.4
147.40916	0.5
148.90979	1.6
169.01495	0.6
181.08632	0.7
189.07614	0.5
201.13968	0.4
207.06444	0.5
225.07697	1.8
229.07143	1.6
271.08307	0.7
278.99582	0.8
297.00699	0.6
314.97437	1.0
332.67355	0.4
372.05197	0.5
387.12860	1.1
391.84518	0.5
441.04959	1.0
472.75909	0.5
477.02823	0.5
477.20724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04437	1.2
51.95272	1.3
54.45956	1.3
55.01865	2.3
57.03445	3.4
59.01376	73.3
60.01692	3.0
60.04094	1.1
61.01788	1.5
61.98827	100.0
71.01379	21.1
71.45679	1.7
72.99298	1.8
73.02927	6.8
78.91893	11.4
79.05528	1.6
83.01379	4.6
83.16689	1.3
85.02949	7.6
85.74953	1.2
87.00874	1.4
89.02443	11.3
93.03437	11.2
95.01387	2.1
97.02963	1.3
99.00891	1.2
101.02428	16.3
105.07079	9.4
108.02200	1.5
109.02937	11.9
109.06580	2.4
113.02425	7.3
119.03461	2.0
122.03739	2.1
123.00894	1.4
123.04535	19.4
124.01703	1.6
125.02444	9.8
133.02986	1.9
135.04507	2.7
136.01694	6.9
137.02429	13.4
137.06042	6.8
141.09157	1.8
145.06485	1.2
148.01694	1.3
149.06073	48.9
150.06352	2.0
151.03951	2.4
151.07639	5.7
153.01950	17.1
160.01715	1.2
160.05273	5.0
161.02496	6.4
161.04547	8.1
162.03093	2.8
162.04962	2.1
163.07625	2.8
164.01083	1.9
165.05551	12.8
165.09233	2.1
167.03481	29.2
169.01338	1.8
173.06062	4.9
173.08061	1.4
175.03984	1.8
175.06201	2.7
175.07634	43.4
176.07875	1.4
177.01865	3.3
177.05537	2.4
179.03500	20.3
179.05598	1.9
179.07118	5.4
183.10246	4.8
184.81522	1.4
187.07613	3.9
190.02689	5.3
191.03540	3.6
191.07176	1.8
192.00644	20.2
193.01369	2.5
193.08702	6.7
195.06609	1.6
203.03612	1.2
205.01364	3.4
205.05121	1.5
205.08656	5.1
206.02158	4.2
207.02960	14.3
209.04637	2.7
219.06589	5.6
221.04437	1.5
232.03784	1.7
234.01666	17.8
235.16988	2.9
237.07663	27.2
239.05595	59.6
243.02859	2.9
243.71863	1.5
245.00864	2.2
246.01611	3.4
249.04047	12.7
256.03741	2.2
267.08780	4.8
271.02441	5.3
279.15939	2.3
287.02112	1.5
294.03958	1.7
297.06085	6.6
297.16977	4.5
299.01907	6.3
300.02716	17.1
301.03214	1.6
305.06967	1.5
309.06168	14.8
311.07657	5.1
314.04398	1.6
315.01407	3.4
315.05038	15.7
315.18137	6.2
316.02155	2.1
330.03720	4.6
331.04514	4.6
345.19009	4.2
373.82526	1.3
416.23608	3.1
417.24609	13.6
433.20572	10.0
477.09546	7.0
477.14117	11.2
477.23389	47.7
478.23883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09874	0.6
59.01373	4.9
59.62318	0.9
60.96298	0.7
61.12086	0.7
70.78001	0.8
70.78350	1.0
82.86836	0.8
85.24049	0.7
88.59113	0.9
122.03750	14.1
135.04489	0.9
178.09985	11.6
178.11443	1.4
193.12325	100.0
194.12672	2.5
368.51721	0.9
433.57950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03448	0.4
59.01370	0.7
61.98817	0.9
69.25507	2.1
91.05520	1.1
103.05533	6.5
105.03445	0.6
105.07092	1.1
117.07137	0.5
119.05028	1.0
121.02994	0.4
123.04491	1.2
125.02367	0.4
127.52118	0.4
130.04231	0.6
133.06573	1.8
135.04495	1.9
137.06070	1.4
139.11353	0.5
145.06631	1.0
146.03685	1.2
147.04524	10.6
149.06068	3.8
153.01955	0.4
159.04498	1.5
160.05296	1.4
161.06084	3.5
162.03189	3.2
163.04053	4.3
165.05576	1.4
167.03548	0.7
170.69086	0.4
174.03242	0.8
175.04012	2.0
177.01895	0.7
177.05505	1.2
183.10242	2.1
187.07617	0.5
187.42014	0.3
188.04692	0.4
189.05559	7.0
190.02678	0.5
191.03493	100.0
192.03833	2.3
193.05060	8.8
193.89946	0.3
195.02934	0.6
203.03493	0.7
205.05040	2.3
205.12401	0.5
219.02888	0.6
221.04588	2.8
231.06647	1.5
233.04530	16.3
234.04753	0.5
275.05618	2.2
293.06680	12.7
293.09930	0.8
311.07706	13.5
477.17743	5.2
477.24356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00514	4.5
61.98814	7.1
69.17014	28.2
71.01378	9.9
72.01533	4.1
78.95902	31.7
80.02686	6.3
93.03461	17.0
99.00868	10.9
105.01963	7.6
106.04290	5.9
108.02162	10.4
115.00414	5.3
121.02971	6.6
122.03758	16.5
124.01662	8.8
134.03709	12.8
136.01649	6.8
142.99850	8.3
145.01439	19.2
148.01668	4.5
149.99510	4.5
150.03241	10.3
152.99641	8.0
161.02402	4.5
162.03203	13.5
162.06813	5.7
171.00641	5.2
176.01115	8.3
176.04866	5.6
178.02605	5.4
190.02791	5.8
259.20645	15.2
275.20181	11.0
281.24573	7.4
287.20178	66.9
288.20700	4.6
289.21756	25.3
301.21664	5.5
303.19662	27.1
305.21060	8.9
315.19635	55.0
316.20087	9.7
317.21106	22.1
330.18292	37.2
331.19125	100.0
332.19461	6.0
333.20615	25.8
343.19086	56.7
343.22903	8.6
344.19904	7.5
345.20685	56.2
349.20010	26.0
357.20901	6.7
358.17923	24.6
359.18646	88.5
361.20059	14.5
373.20300	8.3
385.19958	10.8
389.65082	4.3
403.12253	22.5
403.21204	13.2
412.98779	5.1
415.21173	7.6
433.22342	65.0
439.09796	18.3
441.09656	24.7
476.37946	8.4
477.21237	81.0
477.27454	7.0
478.22037	6.3
478.29443	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	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38716	0.6
54.41214	0.6
56.70165	0.6
59.01377	100.0
61.98840	0.8
67.81015	0.6
71.01382	10.8
73.02946	1.5
75.84551	0.6
81.42624	0.6
85.02960	2.2
85.91454	0.6
88.98808	4.8
89.02441	15.8
95.01388	0.9
101.02460	7.6
108.33886	0.7
113.02434	6.1
116.92890	0.7
119.03496	7.6
125.02443	0.9
138.03271	0.6
143.03546	1.5
148.90974	0.9
149.04623	1.0
152.01178	1.1
161.04552	4.2
177.01959	2.4
179.05594	8.3
180.06015	0.7
219.03236	0.7
222.99115	0.6
238.15741	0.6
297.06262	1.4
390.98920	0.8
395.02960	4.9
396.55923	0.7
399.20248	4.6
417.10376	1.5
417.21194	12.1
417.26224	0.9
439.08411	0.9
477.23434	1.2
484.60635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14635	1.0
53.16502	1.0
54.36095	1.0
57.03453	1.3
57.28573	1.0
59.01377	100.0
60.99301	3.6
61.98823	1.2
65.40003	1.0
69.56608	4.0
71.01376	26.4
73.02909	1.2
81.08523	1.0
85.02945	4.7
87.00864	1.4
88.98798	22.1
89.02443	41.4
95.01359	1.8
96.96010	1.4
97.78625	1.1
101.02438	16.3
105.06773	1.1
109.02923	1.4
113.02438	11.5
119.03505	16.5
125.02447	5.8
131.03510	2.8
143.03487	4.0
149.04549	1.5
161.04556	7.7
169.01404	2.4
169.76396	1.2
179.05618	22.6
197.04488	1.5
344.03915	1.2
399.20200	1.4
417.21091	4.5
477.15714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51245	1.3
58.82883	1.4
59.01369	5.0
69.88406	5.1
75.00867	42.0
78.95905	3.0
89.02448	5.1
98.21912	1.8
117.01939	2.1
129.86710	1.7
135.02995	100.0
140.53563	1.5
149.06088	2.4
150.79352	1.6
162.03195	1.6
188.11325	1.6
279.23196	5.1
280.23578	13.2
303.23260	18.6
315.23264	29.5
317.24646	2.0
329.21240	3.6
331.22723	29.4
332.23035	2.6
341.21310	2.4
343.22842	7.9
345.24341	3.1
357.20587	1.6
359.22244	22.3
361.23740	4.0
373.23785	6.0
387.21725	1.7
389.23328	7.8
403.12012	6.2
417.22916	2.7
439.09219	1.6
441.09564	3.4
477.12256	2.8
477.27881	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	477.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
58.33167	1.6
61.98818	3.3
63.10154	1.6
63.16307	1.9
63.26385	1.6
65.03944	3.1
67.01888	4.4
71.01374	2.7
71.88172	1.5
84.18755	1.4
93.03492	2.2
95.01379	3.5
96.99299	2.3
97.02953	6.4
98.22645	2.6
107.56734	1.6
108.02166	12.7
109.02943	18.0
110.91502	1.7
111.00845	3.4
112.98821	1.6
119.05002	4.7
121.02935	3.1
121.06574	2.0
123.00953	1.9
123.04543	20.8
125.02361	2.2
129.01935	4.9
135.04512	4.0
136.05254	3.6
137.01437	2.1
137.02446	28.3
147.00957	1.7
148.01637	6.2
149.02438	1.6
151.03969	5.1
160.05360	1.7
164.83588	2.4
171.10234	3.0
176.01132	19.2
192.00696	2.4
253.21898	2.0
271.02396	1.7
305.21158	2.2
313.25574	2.0
315.01367	1.6
315.23322	4.7
316.02283	3.9
329.21213	2.5
329.24747	2.7
331.22556	2.8
339.23184	2.2
341.21207	2.6
341.91888	1.8
343.18893	2.1
343.22440	3.4
355.22766	2.0
357.24344	39.0
359.22125	6.5
359.26083	1.8
361.23569	4.0
361.27536	3.2
363.25436	1.9
365.23361	2.8
373.23691	7.4
377.26849	7.2
383.22272	13.3
385.23590	2.5
389.27011	14.7
391.25015	7.4
401.23303	100.0
402.23596	4.8
403.24777	4.5
405.26382	6.8
415.25037	9.2
433.25867	22.0
459.23441	3.0
477.10791	2.2
477.18784	4.3
477.24872	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	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03445	0.7
59.01378	25.2
60.01705	0.2
61.98828	18.0
65.03973	0.3
66.18893	0.2
69.19202	0.4
69.19605	0.8
71.01379	6.9
73.02953	1.8
78.91866	1.7
83.01392	1.0
85.02954	2.6
86.18704	0.2
87.00905	0.3
89.02442	3.6
93.03456	38.8
94.03783	0.7
95.01389	0.7
95.05032	1.3
99.00877	0.5
100.71594	0.2
101.02444	5.3
109.06537	0.3
113.02451	3.1
119.03497	1.3
119.09515	0.2
125.02451	0.2
136.05240	0.3
137.02441	100.0
138.02763	2.0
143.03583	0.4
151.07639	6.9
153.01924	0.3
159.03009	0.5
161.02437	0.6
161.04550	3.3
177.05583	0.2
177.37373	0.2
179.05641	0.8
179.74873	0.2
192.00650	0.3
195.06602	0.9
239.03467	0.3
240.03583	0.2
240.99614	0.2
241.04022	0.3
253.05005	0.4
255.05644	0.2
281.06628	2.6
298.04733	0.3
299.04861	0.4
300.05362	0.6
417.24918	23.4
418.25299	1.2
461.23557	0.2
462.10538	0.8
477.13553	6.8
477.26599	0.9
478.13818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43581	0.8
50.95978	0.8
51.45443	0.8
53.55170	0.8
55.01876	2.1
57.03448	2.0
59.01378	91.5
61.98821	4.4
69.42612	3.9
71.01377	21.5
72.99311	1.4
73.02940	10.2
78.16428	0.8
78.76587	0.9
83.01388	3.8
85.02950	13.5
89.02438	2.9
95.01393	1.5
97.02917	1.1
98.22587	0.9
99.00877	3.0
101.02442	23.8
108.02158	1.8
109.54424	0.8
113.02444	10.5
115.17141	0.9
123.04495	1.8
124.01614	0.8
125.02444	1.5
136.01645	1.5
143.03444	1.2
149.02420	1.6
151.00383	1.0
155.69507	0.9
159.03001	3.0
161.02525	1.6
161.04553	17.7
162.03247	1.4
164.01152	9.2
166.02686	1.2
167.03516	2.0
177.01945	6.0
178.99907	2.3
182.04521	1.2
183.04971	1.4
189.01997	1.0
190.02719	3.1
192.00638	100.0
193.01375	8.8
194.02264	2.1
205.01375	2.2
206.02194	1.7
207.02977	65.4
208.03369	1.3
209.04547	2.0
222.01704	1.3
234.01607	6.0
237.03827	1.4
249.03937	4.0
269.06650	6.5
271.02280	1.7
287.01840	1.6
309.06070	1.8
315.01425	2.0
316.02206	3.8
331.04446	4.2
331.10675	1.0
417.24893	87.5
418.25369	5.3
462.08301	1.1
477.10251	10.4
477.22617	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
59.01374	100.0
61.98826	26.3
67.88298	0.4
69.24361	2.5
71.01376	11.3
72.99313	0.5
73.02940	3.9
78.45490	0.5
83.01395	1.8
85.02945	4.8
89.02442	4.9
95.01392	0.9
99.00902	1.5
101.02435	9.2
113.02431	4.3
119.03475	2.6
120.75140	0.5
125.02505	0.5
131.03577	0.5
143.03528	1.0
159.03001	0.9
161.04543	6.6
179.05632	0.7
191.03528	0.5
192.00659	1.1
221.77510	0.4
255.16048	0.6
255.19682	0.6
258.83636	0.5
264.30447	0.5
274.57480	0.4
296.32565	0.5
315.18079	1.4
370.39587	0.4
415.23447	0.7
417.24863	28.3
418.25311	2.0
437.55661	0.5
461.24173	1.0
477.23257	2.6
477.27548	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.322
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
57.03447	3.4
59.01375	15.1
61.98821	6.5
69.11927	8.0
71.01386	2.8
71.05014	3.1
85.06590	2.5
89.02453	1.9
89.05540	1.5
101.02450	1.9
102.61451	1.2
122.03754	3.3
123.04544	9.5
125.02452	2.6
125.09736	1.6
127.11280	2.4
135.04485	7.8
136.05310	6.3
137.06210	1.3
137.09723	2.4
153.01910	2.6
157.12338	5.8
161.04549	1.7
175.07726	1.4
192.00618	2.3
231.21161	1.8
287.02029	1.7
315.01321	2.5
315.13535	3.6
316.02261	4.0
331.04422	2.3
343.25003	3.4
351.60504	1.4
379.06152	1.3
391.32104	6.0
415.32013	3.0
424.59534	1.7
433.33212	100.0
434.33508	6.1
435.31183	3.2
466.18506	1.6
477.10748	1.6
477.32175	38.0
478.32742	3.7
499.35153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24597	0.2
57.03448	0.4
59.01377	4.4
60.01703	0.5
61.01810	0.2
61.98827	100.0
71.01391	0.8
72.99305	0.5
73.01766	0.2
73.02963	0.3
83.01388	0.4
85.02949	0.4
89.02453	0.3
101.02439	0.7
107.01367	0.2
109.02943	1.5
110.03304	0.4
111.00908	0.2
113.02468	0.3
121.03009	0.2
123.00917	0.3
123.04510	0.3
124.01672	0.6
125.02445	4.9
126.02789	0.6
137.02521	0.3
151.00398	0.2
153.01939	3.7
154.02254	1.0
161.02390	1.2
161.04610	0.5
162.02986	0.2
164.01215	0.4
165.02007	0.3
166.02747	0.3
169.01398	2.6
169.02527	0.2
179.29871	0.2
190.02777	0.5
192.00615	2.4
192.02097	0.2
193.01384	1.1
194.02180	0.3
206.02142	0.3
207.03038	0.7
211.02515	0.2
234.01671	1.0
249.04156	0.8
271.04828	0.4
287.05597	0.2
288.06116	0.2
305.06836	0.3
312.05005	0.6
347.16867	0.2
352.20639	0.2
417.24701	0.3
418.24826	1.5
446.34338	0.2
479.08255	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	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01378	2.9
60.01704	0.4
61.01814	0.3
61.98828	100.0
69.03457	1.4
69.17697	1.0
71.01376	0.4
79.01913	0.9
83.01411	0.4
89.02429	0.2
92.31268	0.2
93.03458	0.7
97.02959	1.1
98.21851	0.4
101.02451	0.4
102.74181	0.2
107.01389	2.7
109.02952	1.6
110.03296	0.2
121.02963	0.3
123.00883	0.8
123.04559	0.6
124.01694	0.9
124.04897	0.3
125.02448	10.6
126.02785	1.9
135.00890	8.5
137.02429	1.8
138.02853	0.2
139.03963	0.2
140.01141	0.3
145.02995	0.4
149.02420	0.4
151.04059	0.9
153.02010	0.7
154.02376	0.2
159.04570	0.3
161.02457	0.5
161.04576	0.4
161.05971	0.3
164.01160	0.4
165.01971	0.5
166.02736	0.6
167.03499	15.7
168.00584	0.3
168.03830	0.4
169.01418	12.9
170.01761	4.3
179.03487	0.2
189.05104	0.3
191.10745	0.6
192.00648	2.8
192.64622	0.2
193.01399	3.8
194.02228	0.5
203.07161	0.5
204.07465	0.4
205.01483	0.3
205.05124	0.5
206.02194	0.2
206.05403	0.2
207.03011	0.7
209.04587	0.4
211.02592	0.6
234.01743	0.6
235.02663	0.2
235.09914	0.4
245.08235	0.7
246.08560	0.5
249.03903	0.2
253.10808	1.7
271.06433	0.3
289.07162	3.0
290.07547	3.4
304.05399	0.3
312.04816	0.4
313.05917	0.3
327.07187	0.5
415.16180	1.7
418.24533	0.7
420.67596	0.2
441.08206	2.0
442.08572	4.5
443.09067	0.3
478.17941	0.2
478.26382	0.2
479.08121	5.3
501.79092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01373	2.9
60.01698	0.3
60.10731	0.2
60.11040	0.2
61.01809	0.3
61.98828	100.0
62.89763	0.2
71.01392	0.9
81.03499	0.3
83.01385	0.3
83.80779	0.2
85.02972	0.4
97.02985	0.4
98.22671	0.6
101.02473	0.7
107.01412	0.2
108.02213	0.3
109.02984	1.8
110.03288	0.4
113.02452	0.3
121.03027	0.3
123.00887	0.5
123.04533	1.3
124.01669	1.4
125.02449	8.8
126.02781	2.5
135.00922	0.2
137.02449	1.0
139.04027	0.3
145.02940	0.3
149.02478	0.5
151.04027	0.8
153.01881	1.9
154.02211	0.5
160.48866	0.2
161.02493	0.7
161.04581	0.3
161.05969	0.4
164.01099	0.4
165.01921	0.4
167.03510	1.1
168.00658	0.3
169.01421	13.5
170.01749	3.8
180.03903	0.2
190.47862	0.2
191.10776	1.2
192.00613	1.5
193.01440	1.8
203.07251	0.7
204.07616	0.4
205.05132	0.4
206.05504	0.3
211.02573	0.3
234.01741	0.3
235.09813	1.0
245.08266	0.5
246.08665	0.6
253.10791	5.2
271.06113	0.4
272.06650	0.4
289.07126	2.8
290.07529	3.0
347.20538	0.3
415.16132	5.0
418.24466	0.5
441.08063	1.6
442.08615	5.0
479.08072	2.5
479.25146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23178	0.2
59.01372	2.9
60.01712	0.6
61.98827	100.0
63.99256	0.3
69.27071	1.2
70.54203	0.2
71.01376	0.8
73.02948	0.4
77.01894	0.2
85.02924	0.3
89.02451	0.3
101.02451	0.5
109.02964	0.7
113.02435	0.3
119.05073	0.2
120.12688	0.2
123.00946	0.3
123.04544	0.4
125.02453	0.7
137.02420	0.2
149.06015	0.2
153.01952	0.9
161.04665	0.2
167.03545	0.4
169.01437	0.5
178.09402	0.2
191.03539	0.3
192.00661	1.4
193.01401	1.3
219.13097	0.2
221.91501	0.2
234.01761	0.4
235.02242	0.3
249.03886	0.2
284.49210	0.2
298.20303	0.2
303.20261	0.2
313.05988	0.3
331.04581	0.2
334.39499	0.2
414.63559	0.2
416.23978	0.2
417.24493	0.3
418.24875	1.1
478.10324	0.3
479.07764	1.6
479.19321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40045	2.9
51.42194	3.7
54.18839	3.6
60.02297	3.6
69.37324	18.5
70.83499	3.4
84.00905	100.0
98.21835	8.0
105.25766	3.5
116.80767	3.3
180.40414	3.5
184.57887	3.7
335.22400	4.9
336.23068	36.2
393.26425	17.9
480.07565	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	478.2936
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.72377	0.4
51.76914	0.4
69.25011	2.5
78.95902	11.3
140.01155	1.7
152.99568	1.9
166.83258	1.0
171.00591	0.7
174.37169	0.4
181.64024	0.4
192.00537	0.6
193.01433	1.1
196.03831	1.1
214.04898	2.7
281.24841	100.0
282.25171	3.7
392.27563	0.5
478.29352	14.2
478.36206	0.9
479.08426	1.2
479.23730	0.7
479.30026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46071	1.1
57.03422	2.6
59.01378	7.1
61.98827	93.2
67.48959	1.1
69.03449	1.4
69.70799	3.8
71.01369	1.5
72.30978	1.2
79.01875	2.0
81.03444	3.4
83.01376	1.9
93.03447	4.9
95.01358	1.5
97.02931	3.5
98.21961	1.6
101.02392	2.1
107.01360	2.7
109.02950	10.4
114.21798	1.0
119.03439	1.0
121.02956	2.5
123.00885	3.2
123.04494	4.8
124.01649	8.6
125.02444	67.4
126.02739	3.6
127.02863	1.5
130.09663	1.1
135.00859	4.1
136.01340	1.2
137.02461	13.8
139.04010	1.3
145.02921	3.3
149.02397	3.1
151.00424	2.1
151.04018	6.2
153.01932	2.2
161.02460	2.8
161.06148	1.9
164.01154	4.0
165.01888	3.7
166.99840	1.2
167.03542	8.8
168.00624	3.9
168.03824	3.4
169.01418	100.0
170.01767	5.3
171.01845	4.0
179.03452	2.6
190.02667	2.1
192.00632	22.8
193.01424	31.4
194.02031	3.0
203.07138	4.1
205.01398	1.8
205.05051	3.5
206.02013	1.8
207.02977	4.8
211.02477	3.5
221.08186	1.4
223.30779	1.0
234.01639	4.2
235.02502	2.8
245.08127	7.9
249.03984	2.3
271.06183	2.7
289.04150	1.1
289.07150	33.1
290.07401	3.2
291.07706	3.3
303.05219	1.6
304.51999	1.1
313.05588	1.8
327.07126	3.5
331.04449	2.6
341.08490	1.2
386.54391	1.2
390.25552	1.2
400.26367	1.3
441.08243	37.3
442.08530	3.2
443.08777	5.4
443.18710	1.1
479.08157	43.5
479.24878	2.2
480.08252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63614	0.5
59.25204	0.5
62.67796	0.7
69.18482	3.2
69.18896	1.1
81.03455	0.7
83.01388	0.6
89.65978	0.5
93.18692	0.6
107.01391	2.7
109.02944	1.7
112.85362	0.7
118.65517	0.6
121.03035	0.6
123.00875	7.8
124.01665	12.3
125.02442	32.6
127.00284	0.7
138.03114	0.7
139.00331	1.3
151.00406	3.1
153.01927	5.4
160.40939	0.6
161.02434	4.5
162.03142	2.0
163.03976	0.7
164.01125	2.5
165.01817	1.4
166.02687	2.5
166.99843	0.7
167.03432	1.8
168.00626	4.1
169.01419	36.2
172.06660	0.7
173.10092	0.6
177.01892	1.7
178.02754	1.7
189.01967	0.9
190.02687	6.8
191.03354	0.6
192.00633	31.8
192.62573	0.5
193.01399	14.9
194.02205	6.5
205.01384	3.8
206.02223	4.9
207.02954	9.5
207.47452	0.7
211.02469	3.0
220.00130	0.8
220.03741	0.7
221.00850	0.8
222.01707	3.1
233.00827	1.2
234.01691	17.7
235.02496	3.3
237.04105	1.2
246.01616	1.3
249.04039	9.8
271.04761	3.5
294.03824	1.9
309.06134	2.7
311.07574	0.7
312.04926	6.2
313.05667	0.8
316.02203	1.4
327.07150	5.4
356.80524	0.7
378.59714	0.7
406.50107	0.6
450.27875	0.7
464.05957	1.1
479.08292	100.0
480.08624	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	479.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
67.38120	0.9
69.23299	1.5
69.23709	3.0
95.01356	1.2
98.73915	1.0
107.01369	2.0
121.02923	2.0
123.00864	6.0
124.01653	8.1
125.02447	13.9
136.01639	1.1
137.02429	3.3
138.03178	1.2
139.00299	1.2
139.03966	1.6
149.02438	5.1
151.00389	1.1
151.03998	1.6
161.02412	3.5
162.03223	1.3
163.03960	1.6
164.01137	5.9
165.01920	5.4
166.02724	2.9
167.03426	1.1
168.00624	6.7
169.01393	15.8
177.01990	2.1
178.02701	0.9
178.99785	1.2
183.02936	2.7
190.02693	2.1
191.03410	1.6
192.00638	65.6
193.01395	99.8
194.02100	11.6
205.01392	3.5
206.02222	3.3
207.02965	22.4
211.00600	1.6
211.02463	15.4
221.00894	2.2
222.01666	3.5
234.01680	12.9
235.02425	9.4
237.03983	1.8
249.04036	4.9
271.04507	6.0
295.04639	1.0
312.04858	8.7
313.05585	7.2
319.75461	1.1
327.07214	3.8
464.05997	2.3
479.08279	100.0
480.08743	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	479.0829
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
58.55386	0.4
59.01377	7.0
61.98828	55.0
62.98542	0.8
63.02379	1.7
65.00318	4.1
65.80536	0.5
69.29279	2.6
69.29645	1.0
71.01379	2.9
73.02930	1.3
74.91288	0.5
78.95889	0.6
80.40546	0.5
81.03454	0.8
83.01369	2.7
85.02921	1.6
89.02437	1.2
93.03455	1.0
95.01386	1.1
95.04984	0.6
96.95913	0.6
99.00836	0.9
101.02425	2.0
107.01386	9.1
108.02198	3.8
109.02956	6.5
111.00866	0.9
113.02429	1.3
121.02975	1.1
123.00858	2.4
123.04544	3.9
124.01652	3.2
125.02446	12.1
136.01631	2.3
137.01434	1.1
137.02440	18.2
137.03490	0.9
138.02994	0.5
139.00342	0.6
140.01152	0.6
149.02374	2.2
149.06075	0.5
150.11345	0.5
151.00366	38.3
151.07608	1.7
152.01143	12.0
152.08000	1.2
153.01907	6.1
153.08151	0.7
161.02415	2.3
161.04565	0.9
162.03076	0.7
163.00327	1.5
164.01144	4.4
165.01939	4.3
166.02626	1.7
167.03479	11.8
168.00583	2.1
169.01431	9.2
173.02296	0.7
177.01884	1.3
178.99849	31.8
180.00388	1.0
180.99159	0.5
181.05023	0.6
185.91107	0.5
189.01768	0.8
190.02654	1.2
191.03551	1.2
191.98903	1.1
192.00639	25.3
193.01407	29.1
194.02226	3.1
204.04222	0.9
205.01401	1.4
206.02170	1.8
206.06050	0.6
207.02989	5.2
211.02454	4.1
214.02632	0.7
215.03616	0.7
219.02942	1.2
221.00903	0.8
222.01768	0.9
232.03658	1.1
234.01714	3.5
235.02493	3.8
237.14972	1.0
243.40541	0.6
249.04083	1.5
259.02261	1.2
270.01477	0.6
271.02203	3.5
271.04880	1.0
282.06842	0.7
287.01837	1.5
289.03223	0.9
289.07092	1.3
297.06152	3.6
299.02017	1.1
311.07645	2.8
312.04752	2.2
313.05621	1.8
316.02213	18.8
317.03009	60.1
317.06442	3.0
318.03265	2.1
327.06979	0.8
434.36084	0.6
441.08304	1.1
470.77521	0.6
479.08170	100.0
479.25598	4.4
480.08490	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	479.1011
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
50.66707	1.7
53.06107	1.5
62.46763	1.4
66.76492	1.4
73.55889	1.7
78.95906	6.0
81.17878	1.8
86.66612	1.6
107.01398	1.6
107.29702	1.5
109.03019	1.6
110.34216	1.8
123.00882	8.5
125.02480	2.1
126.99606	7.5
131.08669	2.9
151.03215	2.8
152.99530	5.9
153.00674	21.6
163.07626	1.7
164.94608	1.4
167.06323	82.2
169.57552	1.5
192.00581	8.8
193.01442	11.8
201.27515	1.7
211.05315	14.9
258.04056	100.0
259.04453	2.6
262.61810	1.5
268.04901	19.1
276.13480	2.1
317.21024	2.6
333.20755	3.7
347.22229	2.6
361.20523	1.7
448.36462	1.7
479.09793	46.6
479.22235	2.2
479.28711	2.0
480.09866	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	479.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.7
61.98829	21.2
65.00299	1.8
67.01883	1.4
69.40705	2.9
71.01383	6.2
73.02937	2.2
81.03475	3.1
83.01372	1.5
85.02933	2.0
87.00837	1.1
89.02422	1.8
91.01892	2.0
93.03448	1.8
95.01372	2.6
97.02953	1.5
101.02431	4.1
107.01390	8.0
108.02173	28.0
109.02967	12.6
111.00858	2.1
113.02408	3.3
121.02958	3.7
122.03773	1.3
123.00885	7.1
123.04518	19.4
124.01658	9.3
125.02444	34.1
133.02893	1.2
135.04507	1.6
136.01651	1.5
137.02446	7.4
138.03201	2.0
139.00359	1.4
139.03952	1.3
140.01183	1.0
145.02875	1.3
149.02419	3.5
150.03189	1.9
151.00375	14.1
151.03984	2.6
152.01151	56.8
153.01944	23.7
159.82802	0.9
161.02411	4.0
161.04565	0.9
162.03194	2.1
162.97093	0.9
163.03947	2.2
163.06102	1.8
164.01186	6.2
165.01939	5.7
166.02704	9.5
167.03490	84.0
168.00636	5.2
168.03801	2.0
169.01418	27.3
170.01727	1.1
173.02388	0.9
174.03149	1.0
177.01845	2.6
178.02692	2.1
178.99876	6.0
179.03459	2.0
181.05072	6.4
183.02968	1.7
189.01904	1.0
189.77321	1.0
190.02657	4.2
190.87648	0.9
191.03506	2.3
192.00639	58.9
193.01414	73.5
194.02118	7.0
195.02959	2.7
205.01500	2.2
206.02144	2.9
207.02974	13.7
211.02461	11.4
221.00822	2.5
222.01654	1.8
223.02312	1.2
234.01720	9.7
235.02399	7.6
237.03943	1.3
245.08157	1.3
249.04007	4.2
271.04565	3.6
274.04660	1.2
285.06351	1.3
289.07141	7.4
296.05090	3.0
297.02780	1.6
297.06165	34.0
298.06363	1.0
299.05673	2.1
311.07703	30.7
312.04837	4.6
312.08047	1.0
313.05597	7.4
317.02908	5.5
317.06580	15.7
327.07159	3.7
441.08206	4.3
479.07330	100.0
479.24475	3.5
480.07407	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	479.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.7
61.98827	12.1
68.99847	1.0
71.01382	17.5
72.99285	1.2
73.02944	3.9
82.00597	1.6
83.01383	2.0
85.02956	4.2
85.86017	1.3
89.02455	6.6
93.03438	4.2
95.01385	1.8
101.02445	5.3
105.03442	1.7
107.01395	2.7
107.05016	1.3
108.02238	2.3
109.02935	4.4
109.06620	1.3
110.00061	1.4
111.00895	2.1
113.02451	3.9
117.03497	1.7
121.02951	5.4
123.00868	6.2
123.04533	3.2
124.01656	42.3
125.02447	18.8
133.02943	1.7
134.03737	2.1
135.04524	2.1
136.01665	10.4
137.02438	13.0
138.03227	51.1
139.00377	6.8
139.04056	3.2
140.01140	1.6
148.01640	3.2
149.02432	6.7
150.03256	2.8
150.25159	1.5
151.00343	7.0
151.03992	12.0
152.01149	29.9
153.01949	9.1
153.05606	1.3
160.01651	1.8
161.02415	4.3
161.04536	1.2
162.03183	3.8
163.00310	1.2
163.03957	2.5
164.01154	9.0
165.01910	8.6
165.05525	1.6
166.02718	29.1
166.99826	3.8
167.03464	2.9
168.00664	9.0
169.01422	16.1
171.10243	3.4
175.04004	3.9
177.01900	3.2
178.02716	11.4
178.99873	2.8
179.03426	3.2
180.00630	57.6
181.01093	2.1
181.05078	5.6
182.02194	3.0
182.99411	2.1
183.02959	9.1
189.01933	2.5
190.02678	6.5
190.66760	1.4
190.99982	1.7
191.03419	3.9
192.00645	74.7
193.01405	100.0
193.05072	5.0
194.02167	14.2
194.99330	21.0
195.02956	16.3
196.03705	10.3
197.04547	1.5
205.01382	12.1
206.02208	7.7
206.03876	1.8
207.03023	24.2
207.04849	4.4
207.10229	3.5
208.03664	1.8
209.00900	3.1
209.02721	2.1
210.01712	4.2
211.02438	11.1
211.06122	2.1
217.12321	1.5
221.00874	5.4
222.01671	15.5
224.05139	8.7
225.04036	17.2
225.11293	3.8
226.10939	1.3
231.02776	1.2
232.03705	3.9
234.01665	18.7
235.02420	7.7
235.06094	1.7
237.04039	19.3
241.13272	1.6
247.06068	1.4
249.04022	10.6
250.04773	2.3
253.03362	1.3
253.09213	2.2
255.05077	14.7
259.02328	1.2
265.07086	2.2
267.05090	2.6
271.04639	3.3
276.02682	1.4
279.12299	7.2
288.02383	1.8
294.03796	2.5
295.08273	1.6
295.11676	1.8
309.06299	6.1
312.04825	22.9
313.05594	9.4
315.14441	3.5
316.01843	1.5
317.02420	3.0
317.14899	3.0
318.02560	2.9
327.07187	95.4
328.07483	3.3
333.05103	2.7
361.11124	3.0
391.12192	14.8
398.13940	9.2
409.75702	1.5
447.18625	5.1
464.10275	6.2
479.08383	97.8
479.22543	5.1
480.08783	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	479.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03432	5.1
59.01378	26.8
61.98825	13.0
69.03450	1.3
70.06355	1.2
71.01006	2.1
71.01381	24.7
72.34495	1.1
72.99301	2.1
73.02952	10.2
75.00852	2.3
76.98256	1.1
79.01888	1.4
81.03427	3.5
83.01379	4.6
85.02942	8.3
87.00862	3.1
89.02433	13.4
92.97473	1.2
95.01379	4.1
97.02924	4.2
99.00880	8.2
101.02443	16.4
107.01389	5.0
108.02170	34.7
109.02966	11.8
110.00075	3.7
110.49816	1.3
111.00890	6.8
113.02432	9.2
115.03983	3.0
116.92845	4.3
119.03471	2.7
121.02936	4.0
123.00887	27.9
123.04528	22.6
124.01657	29.0
125.02446	68.7
131.03499	1.3
135.00775	1.8
136.01660	16.1
137.02466	6.9
137.99536	1.9
138.03262	1.4
139.00363	7.5
140.01141	1.8
143.03508	1.4
147.00862	4.2
148.01607	3.8
149.02480	3.2
149.04562	3.0
150.03188	3.1
151.00368	3.1
151.04002	2.4
153.01935	10.2
153.05568	3.0
159.03088	1.7
161.02431	11.8
161.04555	7.1
162.03226	6.7
163.00307	1.3
163.03989	8.9
164.01140	3.2
165.01904	1.9
165.99095	4.6
166.02681	4.0
166.99800	2.2
167.03474	5.1
168.00603	8.5
169.01421	65.8
171.10295	1.5
175.04021	1.9
177.01987	2.0
177.05481	1.7
178.99794	3.1
185.11786	2.6
189.01944	1.7
190.02689	4.8
191.03445	3.7
192.00629	46.7
193.01401	20.7
194.02148	4.8
194.99336	2.7
201.01784	1.5
201.11241	1.7
205.01419	4.0
206.02147	3.3
207.02930	15.5
211.02428	17.0
211.04123	1.7
221.11925	1.9
222.01617	2.8
234.01680	14.8
235.02380	2.4
246.01651	2.0
249.03937	7.5
250.99380	1.5
257.04547	3.4
258.01624	2.6
259.02454	1.5
269.04514	2.0
271.04465	26.6
271.36639	1.4
272.04324	1.7
272.06912	21.7
281.13904	1.6
287.01923	4.3
287.05804	3.1
287.09222	79.3
288.09406	2.0
293.08569	2.6
294.03882	2.7
299.05533	4.6
303.01309	3.1
309.03632	4.5
312.04929	4.5
317.06729	8.0
317.10248	100.0
318.10474	3.4
327.07477	6.7
332.01709	21.2
333.02310	4.5
347.17047	13.2
443.11664	1.4
479.08200	95.7
479.21344	43.8
480.08551	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	479.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03432	5.1
59.01378	26.8
61.98825	13.0
69.03450	1.3
70.06355	1.2
71.01006	2.1
71.01381	24.7
72.34495	1.1
72.99301	2.1
73.02952	10.2
75.00852	2.3
76.98256	1.1
79.01888	1.4
81.03427	3.5
83.01379	4.6
85.02942	8.3
87.00862	3.1
89.02433	13.4
92.97473	1.2
95.01379	4.1
97.02924	4.2
99.00880	8.2
101.02443	16.4
107.01389	5.0
108.02170	34.7
109.02966	11.8
110.00075	3.7
110.49816	1.3
111.00890	6.8
113.02432	9.2
115.03983	3.0
116.92845	4.3
119.03471	2.7
121.02936	4.0
123.00887	27.9
123.04528	22.6
124.01657	29.0
125.02446	68.7
131.03499	1.3
135.00775	1.8
136.01660	16.1
137.02466	6.9
137.99536	1.9
138.03262	1.4
139.00363	7.5
140.01141	1.8
143.03508	1.4
147.00862	4.2
148.01607	3.8
149.02480	3.2
149.04562	3.0
150.03188	3.1
151.00368	3.1
151.04002	2.4
153.01935	10.2
153.05568	3.0
159.03088	1.7
161.02431	11.8
161.04555	7.1
162.03226	6.7
163.00307	1.3
163.03989	8.9
164.01140	3.2
165.01904	1.9
165.99095	4.6
166.02681	4.0
166.99800	2.2
167.03474	5.1
168.00603	8.5
169.01421	65.8
171.10295	1.5
175.04021	1.9
177.01987	2.0
177.05481	1.7
178.99794	3.1
185.11786	2.6
189.01944	1.7
190.02689	4.8
191.03445	3.7
192.00629	46.7
193.01401	20.7
194.02148	4.8
194.99336	2.7
201.01784	1.5
201.11241	1.7
205.01419	4.0
206.02147	3.3
207.02930	15.5
211.02428	17.0
211.04123	1.7
221.11925	1.9
222.01617	2.8
234.01680	14.8
235.02380	2.4
246.01651	2.0
249.03937	7.5
250.99380	1.5
257.04547	3.4
258.01624	2.6
259.02454	1.5
269.04514	2.0
271.04465	26.6
271.36639	1.4
272.04324	1.7
272.06912	21.7
281.13904	1.6
287.01923	4.3
287.05804	3.1
287.09222	79.3
288.09406	2.0
293.08569	2.6
294.03882	2.7
299.05533	4.6
303.01309	3.1
309.03632	4.5
312.04929	4.5
317.06729	8.0
317.10248	100.0
318.10474	3.4
327.07477	6.7
332.01709	21.2
333.02310	4.5
347.17047	13.2
443.11664	1.4
479.08200	95.7
479.21344	43.8
480.08551	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	479.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81414	0.5
59.01376	14.3
61.98828	14.3
65.00317	0.8
67.01900	0.8
69.03451	0.9
71.01376	7.2
73.02952	1.0
73.25404	0.5
73.38676	0.6
74.02452	0.9
79.01862	0.8
81.03436	0.8
82.95420	0.5
83.01392	1.5
85.02950	2.3
87.00915	0.8
89.00360	1.2
89.02441	4.3
91.01849	1.1
93.03461	0.6
95.01390	2.7
97.02943	1.2
99.00882	0.9
100.80722	0.5
101.02438	4.0
106.00607	1.5
107.01395	3.0
107.05052	0.6
108.02199	1.4
109.02193	0.8
109.02936	8.7
111.00880	2.2
113.02436	2.0
119.03511	1.6
119.05028	5.8
121.02952	26.7
122.00092	0.7
123.00879	9.1
123.04527	2.1
124.01669	3.1
125.02447	6.1
127.00362	1.9
132.33900	0.7
135.00922	0.7
135.04532	0.6
136.98817	1.8
137.02434	11.0
137.06082	1.7
138.03218	7.8
139.00372	2.2
139.04007	5.3
141.01988	1.5
149.02443	1.7
149.06076	0.5
151.00359	2.0
151.03896	0.8
152.01157	0.9
153.01944	10.3
153.05573	24.7
155.03493	1.9
161.02412	1.2
164.01106	1.2
165.01915	1.2
166.02699	5.4
166.99870	3.6
167.03464	6.0
168.00618	3.2
169.01469	3.7
171.89171	0.5
177.01933	0.7
178.99878	1.1
181.01419	6.9
182.02199	7.9
183.02971	10.3
190.02682	1.1
192.00623	13.1
193.01401	15.5
194.02065	0.7
195.02992	0.7
196.03676	2.9
197.04536	51.0
198.04848	1.1
206.02287	0.7
207.02966	3.4
207.04692	0.6
209.04510	0.8
210.01704	2.1
211.02525	2.7
211.06125	2.9
215.03389	0.6
224.03217	2.3
225.04031	14.4
234.01729	2.1
235.02412	1.1
239.05589	15.7
243.02914	1.0
244.03242	0.6
245.03523	0.7
249.03957	0.8
255.05176	1.2
261.03049	0.9
269.06793	1.2
271.02209	1.1
271.04947	0.7
272.02783	1.4
273.03159	1.3
285.06180	15.0
287.02069	1.4
288.02280	0.7
288.05511	0.6
289.02591	1.6
297.06232	1.6
299.07629	3.7
311.07733	2.3
312.04858	1.4
313.05609	1.3
315.01465	1.6
316.01938	1.9
316.05136	0.9
317.02130	4.6
318.02795	1.8
327.07202	1.4
330.03909	1.8
331.04312	3.6
332.04428	6.9
333.05115	4.6
345.08539	0.8
401.10699	0.5
449.10916	0.8
464.13129	1.3
479.09055	18.4
479.15695	100.0
480.09518	0.8
480.15982	7.1
484.21481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.2
61.19516	1.6
61.98828	100.0
64.52009	1.7
69.24269	4.3
69.24683	5.5
71.01369	7.9
71.49543	1.7
73.02936	2.1
74.73994	1.7
80.91682	6.8
85.02940	3.1
89.02450	5.8
92.04682	1.9
95.97707	2.0
96.96024	2.5
101.02468	4.0
109.02972	4.4
113.02489	1.9
115.23154	2.0
121.02936	2.4
123.00947	2.2
123.04474	1.7
124.01694	4.4
125.00790	1.7
125.02448	8.2
130.56395	1.8
137.02390	2.6
149.02393	2.5
149.04553	2.5
149.09752	2.4
151.04034	6.2
153.01938	3.9
165.01913	2.8
168.00652	2.9
169.01399	5.9
177.01915	2.4
188.90570	1.7
191.03564	2.8
192.00642	27.4
193.01433	36.1
194.02199	2.5
207.02956	8.0
211.02480	5.4
211.54604	2.2
232.96640	2.0
234.01746	5.1
235.02554	3.4
249.03882	2.3
250.08008	1.8
281.17645	3.3
293.08780	7.5
307.78143	1.7
313.05777	2.3
327.07343	2.5
419.26477	8.5
420.48553	1.8
479.08304	49.0
479.16553	25.2
479.21701	2.7
480.08539	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86462	0.5
60.72597	0.5
61.98816	0.5
71.47061	0.5
79.91698	0.5
85.77054	0.5
95.34193	0.6
99.92577	9.3
116.92857	100.0
117.92875	2.6
120.77643	0.5
137.64252	0.5
160.84161	3.1
162.83868	3.3
192.00615	0.5
284.00354	0.6
299.07629	0.5
479.30078	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	479.28
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
50.85241	0.7
58.60340	0.7
59.01393	0.9
61.98798	0.7
64.29592	0.9
71.44920	0.7
73.22161	0.6
76.23509	0.8
92.92806	0.7
108.02174	6.8
109.02953	2.7
116.92863	3.2
121.02959	3.6
122.03738	3.6
123.00884	2.2
124.01665	22.9
125.02460	1.3
135.04544	4.6
136.05304	3.3
137.02461	3.2
137.06058	1.3
138.03223	2.7
149.02452	3.4
149.06055	3.0
150.03229	2.5
162.83952	1.3
163.03984	1.7
163.07648	1.9
164.04852	8.2
175.07600	1.0
177.05569	2.9
185.06003	1.0
192.00664	1.2
193.01317	1.2
211.77527	0.8
280.66174	0.7
293.17422	1.2
299.75766	0.8
300.17261	0.8
302.10660	0.8
409.27499	1.6
447.25433	1.5
451.28470	3.1
461.26831	3.6
464.25647	2.3
479.28006	100.0
480.28268	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	479.2799
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
55.01876	0.9
55.77514	0.4
69.23877	1.7
69.24281	0.8
81.03466	1.3
88.79483	0.4
88.92922	0.5
98.22596	1.1
98.49178	0.5
105.03460	0.8
108.02177	5.7
109.02951	3.0
132.61047	0.5
134.03725	2.9
136.05316	2.8
137.06087	2.1
149.06082	5.7
159.04532	0.5
160.01689	2.2
160.05237	2.8
161.02455	1.0
163.07671	1.0
174.01935	0.5
175.03990	3.1
175.07623	0.8
189.09149	0.7
191.10858	0.6
197.06113	0.6
201.05640	1.5
203.48975	0.5
213.05675	0.7
227.07095	5.3
238.06290	1.0
241.05074	1.4
253.05119	0.6
254.05823	8.1
255.06592	11.2
256.07120	0.8
257.11774	0.6
267.06573	0.6
269.08237	1.9
281.08109	0.6
285.18378	0.6
285.22177	0.9
301.21777	0.7
303.23218	1.0
313.21729	14.8
314.22028	0.5
329.21057	1.7
329.24872	1.8
355.22791	1.6
393.24393	1.0
394.24954	0.8
405.24188	1.1
421.23865	18.1
422.24570	5.7
435.32626	0.8
437.26929	43.4
438.27338	2.2
464.25537	1.6
479.27216	100.0
480.27457	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	479.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06618	0.7
52.17306	0.6
56.13517	0.6
59.01356	0.7
65.03965	0.8
78.95893	1.2
81.03451	0.9
87.66565	0.7
93.03452	1.5
95.01395	1.7
108.02158	2.9
109.02949	2.7
110.78991	0.7
122.03750	13.4
123.00899	1.2
124.01662	1.6
134.03798	1.3
135.04517	3.0
137.02449	1.6
149.06061	1.7
149.21095	0.7
150.03238	7.9
151.03955	3.3
152.39830	0.8
152.99573	1.6
153.99977	0.7
161.02446	3.9
162.03178	3.0
162.77516	0.8
163.03998	5.4
165.05588	10.3
169.01309	0.8
175.04027	1.6
177.05568	17.1
179.07019	1.6
190.02682	0.8
192.00667	5.7
193.01404	5.7
206.02298	0.7
207.02954	1.4
234.01624	0.7
283.26282	1.6
287.20142	1.7
301.21790	6.5
329.62738	0.7
332.19836	0.8
374.22415	0.7
464.25629	2.0
479.08551	9.7
479.28024	100.0
480.28546	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	479.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
63.14898	0.4
69.64198	1.2
71.25702	0.3
76.39838	0.4
81.03449	1.8
86.67693	0.3
95.05014	0.6
97.72808	0.4
107.05070	0.5
108.02159	1.3
109.02953	0.8
110.03757	1.0
119.05180	0.4
122.03741	12.8
123.00884	0.8
123.04565	1.8
124.01635	1.2
125.02477	0.5
130.75978	0.4
132.67174	0.3
135.04547	3.0
136.05286	5.4
137.02469	2.8
137.06094	4.0
138.03223	40.6
139.03905	1.2
147.08163	0.4
148.05260	1.7
149.02469	0.4
149.06081	4.3
150.03201	1.4
150.06850	0.8
151.03995	1.5
152.04797	0.6
153.81696	0.3
160.05283	0.9
161.06114	0.5
162.06808	0.5
163.03960	1.0
163.07640	1.7
164.04781	4.2
165.05579	0.7
173.06036	0.5
174.06883	0.8
175.07664	1.2
177.05533	0.6
177.09258	0.6
178.06398	2.4
188.08377	0.8
189.08997	0.4
191.07130	0.7
205.30200	0.3
215.83366	0.3
272.40182	0.4
276.87720	0.4
279.04306	0.4
314.18958	0.5
337.21490	0.4
379.26138	0.9
395.25851	1.5
407.29660	1.1
441.30081	0.6
451.28473	5.9
461.26974	5.1
464.25629	0.9
469.31488	0.5
479.28015	100.0
480.28458	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	480.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.8
61.98827	100.0
63.99255	0.5
69.52203	1.3
71.01382	3.1
73.02942	1.1
78.91864	0.6
80.91677	0.7
83.01373	0.5
85.02963	1.2
85.22293	0.4
98.22644	0.6
99.00913	0.4
101.02445	2.5
109.02982	0.5
113.02462	1.2
125.02474	0.9
128.64375	0.4
153.01971	1.5
154.43019	0.3
161.04559	1.4
184.30304	0.4
189.01967	0.4
192.00652	0.6
193.01343	0.8
208.03474	0.4
215.70139	0.3
217.64037	0.3
237.14929	0.4
331.17581	4.5
373.18619	3.7
464.03186	0.3
480.09076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01071	0.7
59.01378	20.0
61.98827	100.0
62.87117	0.3
69.03448	0.4
69.46652	1.4
71.01382	4.7
73.02947	8.4
75.00892	0.8
83.01392	2.4
85.02979	1.1
87.00919	0.4
89.02444	2.0
95.01392	0.6
95.05064	0.7
97.06596	0.4
99.26057	0.3
101.02435	6.8
108.02165	4.8
109.02952	5.5
113.02437	2.3
119.03510	1.3
121.02941	0.5
123.00945	0.5
125.02467	1.2
126.02750	0.4
131.03569	0.7
137.23134	0.3
139.11314	0.4
143.03540	1.1
149.04585	1.2
152.01158	5.1
153.01939	2.2
155.00868	0.3
161.04579	2.9
165.01868	0.5
166.02310	0.6
167.11046	0.3
169.01364	0.7
170.01819	0.7
192.00627	3.3
193.01277	6.7
194.01752	3.2
207.02968	1.2
208.03380	0.6
211.02522	0.8
212.02855	0.6
212.13945	0.5
219.10170	0.5
221.06682	0.8
223.62430	0.3
234.01628	0.6
235.02196	0.5
236.02890	0.4
237.11365	0.4
272.04907	0.4
313.05356	0.5
314.06430	0.5
327.07318	0.6
331.17639	0.8
340.01880	0.4
436.23148	0.7
480.08749	8.8
480.16040	1.3
481.09650	0.7
481.17419	6.3
494.94629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47921	0.4
56.14992	0.5
59.01363	2.3
61.98827	100.0
69.17606	2.1
98.22611	1.0
125.02486	1.1
127.07666	1.6
169.01457	0.9
171.06668	1.2
180.04179	0.6
192.00677	2.7
193.01285	3.8
194.01843	1.9
207.02989	0.8
208.03358	0.7
211.02534	0.9
235.02455	0.5
235.86650	0.5
480.08740	8.2
492.92599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83688	0.2
57.03436	0.5
58.98420	0.3
59.01378	6.9
60.01720	0.4
61.98827	100.0
62.08298	0.2
63.38963	0.2
63.99245	0.3
70.00652	0.7
71.01391	1.5
72.99283	0.2
73.02946	0.7
75.00901	0.4
83.01366	0.5
85.02961	0.8
88.98824	0.2
89.02470	0.6
90.42844	0.2
96.96007	0.5
99.00859	0.4
99.65877	0.2
101.02435	1.2
108.02206	0.3
109.02966	0.9
110.29075	0.2
111.99609	0.3
113.02460	1.0
123.00893	0.3
123.04514	0.3
124.01692	0.4
125.02467	2.5
126.02776	0.4
135.04521	0.3
137.02415	0.5
153.01924	0.6
161.02417	0.6
161.04546	0.4
161.09738	0.3
164.01140	0.3
165.01807	0.4
167.03503	0.7
168.00577	0.2
169.01381	0.7
170.01712	0.3
177.02007	0.3
192.00626	3.8
193.01280	5.6
194.01773	2.6
195.02966	0.3
207.02951	0.9
208.03355	0.9
209.04518	0.8
210.04903	0.7
211.02446	0.5
234.01599	0.7
235.02205	0.7
236.02774	0.5
239.05659	0.3
251.09114	0.5
272.04874	0.3
313.05396	0.4
331.17642	0.5
355.61337	0.8
392.12360	0.3
400.17007	0.3
408.23325	0.6
417.21182	0.6
420.26147	1.2
436.22729	0.9
480.08575	9.6
481.08685	0.5
481.22198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
61.98829	100.0
63.99267	0.6
71.01372	0.8
80.91683	1.3
82.85078	0.4
82.95420	3.8
89.02462	0.5
93.03468	0.8
101.02458	0.9
125.02502	0.6
137.02460	1.4
138.02794	0.8
139.02893	0.4
144.22607	0.4
192.00731	0.4
193.01234	0.7
194.01825	0.4
209.44460	0.3
420.25635	0.4
480.08780	1.5
480.14948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60094	0.3
59.01380	4.3
61.98828	100.0
63.99259	0.5
71.01378	0.9
73.02926	0.3
81.03467	0.2
83.01318	0.3
85.02958	0.3
89.02493	0.3
93.03481	0.3
101.02474	0.5
101.06090	0.5
108.02228	1.2
109.02952	8.8
113.02462	0.4
115.51766	0.2
123.04550	0.2
124.01691	0.8
125.02498	0.6
127.08667	0.2
137.02510	0.3
139.03999	0.4
149.02434	0.2
152.01201	1.0
153.01939	10.6
161.04610	0.3
167.03564	0.3
168.00621	0.3
169.01414	0.3
177.02007	0.4
183.10307	0.4
192.00752	0.6
193.01375	2.1
194.01823	1.3
208.03568	0.3
211.02592	0.2
217.01495	0.3
221.52995	0.2
235.02501	0.2
331.17676	0.5
357.06369	0.5
373.18790	0.5
420.27036	0.4
446.86804	0.3
480.08905	1.8
480.16235	1.2
481.10739	0.3
481.16937	4.0
481.23166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47073	1.4
71.00757	1.9
71.33736	1.1
75.90873	1.1
118.89976	10.1
123.00890	1.7
123.04517	1.4
137.02475	3.2
139.00386	1.8
160.84198	3.1
195.17525	5.0
219.17526	13.2
225.18587	4.8
251.16391	2.0
277.18411	1.7
277.21667	18.7
278.18750	4.6
281.17572	24.5
293.24832	4.1
295.19028	2.6
297.17041	1.5
303.23230	3.2
321.24344	100.0
322.24640	4.4
333.24222	1.8
333.70032	1.5
339.18155	14.2
343.23010	1.8
361.23746	3.6
372.88293	1.4
401.60825	1.3
405.22833	6.7
411.70337	1.4
437.25449	4.6
480.13599	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	481.0988
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
59.01382	8.3
61.98819	1.3
66.93674	0.8
68.16332	0.7
70.14082	0.7
70.14401	1.8
71.01372	2.4
81.03450	1.6
85.02942	2.0
89.02439	5.7
95.01355	1.5
96.23932	0.8
96.96001	1.7
98.21938	1.0
101.02415	1.2
107.01373	1.1
108.02179	26.7
109.02956	47.4
113.02450	1.2
114.43970	0.8
119.03525	2.1
121.03046	0.8
123.00908	1.9
125.02446	4.3
136.75128	0.8
137.02438	1.1
151.00395	3.3
153.01939	100.0
154.02313	1.4
165.01871	1.0
175.00349	3.3
177.01938	0.9
178.99887	1.4
179.05606	4.0
192.00661	1.0
193.01405	9.3
203.08353	0.7
212.87048	0.9
226.42490	0.7
235.02791	0.8
235.74872	0.8
255.03082	0.8
283.02457	2.0
301.03543	1.6
319.04599	4.7
327.07217	1.0
341.05045	0.8
357.09421	0.8
463.09634	0.9
481.09991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37923	0.9
57.89351	0.9
59.01370	2.9
67.27087	0.9
71.01373	2.8
72.99332	1.2
73.02942	1.1
79.01881	1.2
85.02973	0.9
89.02435	2.2
93.84110	1.0
95.01369	1.5
98.21884	2.5
101.02464	1.9
103.43571	1.0
106.13142	1.1
107.01387	1.5
108.02158	4.1
109.02945	23.1
111.00866	1.5
114.06844	1.0
123.00880	2.6
123.04497	1.5
124.01672	21.1
125.02443	10.9
135.04475	1.1
136.01646	4.8
137.02423	5.9
138.03227	21.6
139.00327	1.0
139.04027	2.8
140.01222	1.5
149.02425	1.6
150.03236	1.6
151.00436	1.2
151.03983	2.0
152.01155	23.5
153.01942	30.9
161.02492	1.1
164.01155	1.5
166.02705	12.2
167.03497	2.9
168.00635	4.2
169.01451	7.1
177.01878	1.4
178.02725	5.5
180.00641	47.1
181.01167	1.1
181.05084	1.5
182.02213	2.9
183.03011	3.3
190.02733	1.9
192.00661	8.9
193.01369	7.1
194.02184	4.3
194.99318	14.7
195.02966	18.6
196.03798	7.4
197.04559	2.0
201.11314	11.0
205.01408	4.1
206.02144	2.2
207.02954	3.2
208.03714	1.6
208.74757	1.0
209.00940	2.5
209.11826	21.2
210.01654	2.4
211.06056	1.4
221.00885	1.3
222.01678	6.4
225.04018	16.8
227.12866	3.8
232.03700	2.8
234.01723	4.5
237.04089	8.5
249.03993	4.0
250.04575	1.0
253.09262	5.3
255.05090	21.2
267.05020	1.8
285.06171	5.0
309.06131	3.0
312.04745	7.3
313.05673	5.3
327.07190	26.7
330.05887	3.8
345.08264	51.2
346.08789	2.1
349.07941	1.1
463.08911	2.2
466.07474	4.1
481.09805	100.0
481.21594	2.4
482.10086	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
61.91217	1.6
69.39417	7.7
69.39778	2.7
71.01366	3.3
72.99319	1.8
89.02447	2.3
93.03458	14.3
101.02435	2.3
105.38210	1.9
108.02168	4.8
109.02959	21.6
123.00897	2.9
124.01675	15.6
125.02467	9.4
126.02832	2.7
136.01617	4.2
137.02457	41.0
138.03226	20.7
139.03929	2.4
146.59566	1.6
149.02455	2.1
150.03162	2.0
151.03990	3.3
152.01154	23.5
153.01950	28.7
163.03960	2.3
165.01820	3.0
165.05594	2.0
166.02742	12.2
166.99936	2.7
167.03516	1.6
168.00644	4.6
169.01414	6.1
170.01788	3.3
171.01852	3.0
177.02019	2.2
178.02721	7.0
180.00644	44.9
182.02180	2.6
183.02969	4.9
192.00620	10.2
193.01341	6.1
194.02246	3.8
194.99362	14.5
195.03009	22.0
196.03746	8.3
201.11292	8.8
205.01405	4.1
206.02153	3.3
207.02998	3.4
208.03638	2.6
209.11829	18.8
210.01692	2.4
221.00938	1.9
222.01654	5.2
225.04060	17.1
227.12921	2.4
234.01643	5.9
236.02246	2.3
237.04066	9.9
249.04092	4.9
251.04469	2.0
253.09268	5.8
255.05118	21.5
266.42444	2.1
267.66626	1.9
285.06284	2.5
309.06216	3.5
312.04852	6.7
327.07141	22.3
330.05753	4.8
345.04053	3.2
345.08249	53.9
358.99799	2.2
466.07489	3.0
481.09653	100.0
482.09766	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	481.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01373	1.1
60.76401	0.6
61.98827	1.3
65.00301	1.3
69.33144	1.3
69.33540	2.3
71.01368	2.1
81.03445	1.5
82.00594	0.7
83.01373	1.8
89.02427	0.8
91.01866	1.0
95.01345	0.6
97.02969	0.9
101.02461	1.0
107.01380	2.7
108.02169	29.7
109.02953	15.8
110.03255	1.1
111.00863	1.8
112.68470	0.6
123.00925	3.4
123.04497	2.6
124.01657	18.9
125.02449	13.4
126.02773	2.5
127.00404	0.7
127.02918	0.9
136.01657	0.8
136.98792	1.4
137.02467	1.8
138.03192	1.4
139.00333	1.6
139.04018	18.8
140.01115	3.1
146.15901	0.6
146.97539	0.6
151.00391	6.4
151.03973	0.9
152.01158	34.1
153.01947	11.7
154.02289	2.2
155.02440	1.9
161.02460	1.2
162.02791	1.0
163.02896	0.8
164.01183	0.6
166.99818	0.9
167.03488	5.3
168.00645	17.1
169.01433	11.3
169.05072	14.0
170.01768	1.3
175.00269	0.6
183.02989	29.4
192.00661	2.4
193.01384	4.0
194.01723	1.1
195.01817	0.6
202.64919	0.7
206.02103	0.7
207.02896	1.5
210.01653	0.8
211.02417	2.2
225.04021	1.1
255.05006	0.9
255.85571	0.7
297.06049	1.6
311.07755	2.5
312.04855	1.0
313.05435	1.6
315.07361	1.0
318.02963	1.0
327.07233	3.2
383.95276	0.6
422.08527	2.3
437.10876	4.3
466.07324	1.2
481.09698	100.0
482.10147	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	481.1137
Annotation	CHEBI:70258
Peak:m/z	Relative Intensity
52.58173	0.3
57.03445	12.2
59.01376	1.1
61.98827	5.3
71.43757	0.3
74.36695	0.3
77.03943	0.5
80.91698	0.5
81.03456	2.6
83.01387	3.8
93.03445	1.6
94.98086	0.3
95.01403	0.6
95.05037	2.0
96.95999	0.5
97.02975	0.7
105.03442	4.2
108.02174	1.9
108.02824	0.3
109.02950	52.9
109.29676	0.3
110.03309	0.5
111.04517	1.0
111.93699	0.4
119.34584	0.3
121.03005	1.8
121.34459	0.4
123.00891	0.9
123.04526	3.6
124.01669	0.8
125.02444	100.0
126.02772	1.4
132.02174	1.0
133.02968	1.8
134.03751	5.6
135.04492	1.1
137.02441	10.6
137.06047	0.4
138.03151	0.6
139.03989	4.9
149.02440	1.2
149.06042	1.9
151.04008	1.4
153.01935	68.8
153.05428	2.1
154.02309	0.8
159.04485	0.5
160.01674	3.2
161.02441	37.0
162.02901	1.3
163.04022	1.1
164.01208	1.2
165.01932	10.3
167.03479	4.5
175.04016	4.0
175.92844	0.3
177.01949	1.7
177.05566	3.6
178.02689	2.7
179.03491	3.8
181.05074	0.6
186.12471	0.3
189.01866	0.9
190.02660	0.5
191.03577	0.5
192.00653	0.7
193.01254	0.4
193.05046	11.6
194.01306	0.4
195.02994	0.7
197.04578	1.1
197.06161	0.5
201.05522	1.8
202.97083	0.3
207.02966	0.4
217.01468	0.9
217.05200	0.5
219.06592	2.8
221.04651	0.9
225.05688	0.6
227.03549	0.5
229.01515	0.4
237.11296	0.6
243.06689	1.0
259.09445	1.8
261.07669	0.6
269.04523	2.0
287.05655	4.4
297.06149	1.5
299.09088	0.3
300.69629	0.3
305.06647	22.0
306.07089	1.1
311.09177	0.9
315.08810	2.5
341.06372	0.5
344.16751	0.4
355.08490	0.5
357.06094	0.6
481.10892	1.4
481.17215	3.4
481.23407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17353	1.3
56.13358	1.4
59.01381	8.9
61.98822	6.4
65.89272	1.5
69.03449	1.5
69.38369	6.9
71.01381	10.4
73.02946	4.1
80.91696	4.4
81.03465	2.3
82.00613	1.3
83.01392	5.0
85.02959	5.2
89.02462	2.2
93.03497	1.6
95.01392	8.2
97.02930	2.3
101.02465	6.5
104.90427	1.3
107.01385	4.4
108.02184	3.1
109.02934	4.2
111.00877	6.5
113.02450	3.2
121.02966	7.2
123.00880	100.0
123.04530	2.6
124.01663	57.9
125.02454	32.4
127.00379	4.1
128.74994	1.6
135.04553	3.2
136.01672	2.4
136.98773	4.0
137.02454	15.9
138.03220	46.3
139.00374	4.8
139.04013	27.2
145.37633	1.6
149.02405	2.0
149.99585	20.8
151.00340	4.7
151.04001	1.6
152.01094	2.0
153.01932	4.0
153.05597	7.2
154.02704	1.8
155.03539	1.8
161.02365	1.8
165.01932	2.5
166.02632	2.0
166.99854	4.6
167.03487	9.1
168.00635	42.7
169.01433	9.0
170.01640	3.3
171.01968	1.4
177.05568	4.2
178.06255	3.8
179.03581	2.6
181.01457	4.4
182.02200	15.6
183.02971	17.2
189.45558	1.4
192.00636	5.3
193.01346	10.5
194.01569	5.1
195.01712	2.2
196.03839	2.1
197.04541	26.8
207.02806	1.7
211.02414	2.1
221.04514	2.3
222.05127	2.2
225.04095	2.3
226.57016	1.4
231.10257	3.8
237.07741	2.3
262.78406	1.7
279.29776	1.5
289.07162	1.6
296.05167	1.6
311.07736	8.8
312.04810	1.9
313.05750	2.3
319.11951	1.7
326.06342	5.1
327.07120	14.4
331.06573	2.3
341.08728	44.5
355.37476	1.6
399.12671	2.9
399.63361	1.8
399.78299	1.5
466.11292	3.2
472.94055	1.7
481.08847	42.6
481.13596	80.5
482.14017	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.7
59.01396	0.7
59.26321	0.3
61.98828	10.5
69.64956	1.2
71.01391	0.8
80.91687	0.6
81.03458	1.6
83.01362	1.5
89.02467	0.5
93.03459	0.9
95.05035	0.7
97.02976	0.7
101.02440	0.4
105.03476	1.3
108.02171	3.2
109.02953	68.2
110.03313	1.0
111.04533	1.3
121.02936	0.7
123.00892	0.4
123.04525	1.1
124.01643	0.5
125.02449	33.5
126.02759	0.5
132.02194	0.8
133.02974	1.1
134.03764	2.1
135.04468	0.4
136.05347	0.3
137.02458	4.0
139.04007	4.0
149.02426	0.4
149.06105	0.6
151.04010	0.8
153.01941	100.0
154.02261	1.7
159.04486	0.5
160.01700	1.5
161.02441	10.9
162.03149	0.5
165.01938	2.8
167.03488	1.8
173.02417	0.3
173.06108	0.5
175.04025	1.5
177.01924	3.8
177.05577	1.2
177.09242	0.5
178.02684	0.9
179.03496	1.3
183.10271	0.4
189.01935	5.6
190.02606	0.4
191.03439	0.4
193.05020	3.7
193.06670	0.4
194.11458	0.4
194.80388	0.3
197.04544	0.5
199.03938	0.4
201.05550	0.9
203.03514	0.7
216.00723	1.3
217.01393	7.2
219.02928	0.4
219.06651	1.0
227.03665	0.5
231.02963	0.7
237.11363	0.9
243.06682	0.4
244.07172	0.4
259.06927	0.4
259.09479	2.7
269.04504	0.9
287.05624	1.5
299.05786	0.5
301.07077	0.5
305.06653	6.8
313.07227	0.7
315.08679	1.1
319.10382	0.4
341.06577	4.9
355.08228	0.6
357.06171	5.6
371.07678	0.8
392.13727	0.4
399.16516	0.5
445.21008	0.4
481.11334	5.9
481.17355	1.8
481.23251	0.7
482.11853	0.5
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
59.01378	8.9
60.01676	0.9
61.98825	12.5
70.33384	2.0
71.01355	3.0
85.02945	0.9
89.02427	1.7
91.90619	0.8
99.08133	1.1
101.02445	1.1
113.02426	2.5
119.03493	1.1
127.07648	100.0
128.07985	2.6
131.04988	1.0
133.06586	1.1
136.49037	0.9
145.08740	1.0
147.04521	8.9
152.99458	1.0
161.06075	4.1
171.06625	99.8
172.06932	1.3
189.05525	2.1
193.01135	1.2
194.68066	0.9
208.19992	0.8
227.72371	0.9
267.56793	1.0
350.73685	0.9
394.50204	0.9
478.99893	1.3
481.09036	2.5
481.17029	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99525	0.6
57.51574	0.6
59.01384	4.3
61.98837	1.5
69.25238	2.5
69.25640	1.0
71.01392	2.6
85.02953	1.2
89.02446	1.3
95.01367	0.8
96.96062	0.7
99.08172	0.9
101.02434	1.7
113.02452	3.1
127.07653	100.0
128.07994	1.8
131.05045	0.9
133.06543	0.7
145.08791	0.7
147.04526	11.3
153.05635	0.9
161.04825	1.2
161.06050	6.1
171.06627	96.3
172.07053	1.1
178.68657	0.7
189.05534	3.4
194.01445	0.8
289.12985	1.0
305.22302	0.9
437.18115	1.1
481.09714	1.6
481.16931	31.5
481.22165	2.0
482.17371	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
59.01376	7.9
61.98825	4.6
71.01377	3.5
71.44299	0.5
72.82919	0.6
73.02941	1.2
82.95422	1.1
85.02969	1.2
88.98813	0.6
89.02457	1.9
92.57230	0.5
99.00875	0.6
99.08186	0.8
101.02452	2.1
103.25820	0.5
113.02453	3.8
115.05536	0.6
119.03502	1.0
125.02453	1.0
127.07652	100.0
128.07991	1.9
131.05060	1.4
133.06601	0.9
145.08720	1.7
147.04510	10.1
147.06775	0.5
153.01929	4.8
155.10753	0.7
161.04807	0.8
161.06104	3.8
171.06627	96.7
172.06978	1.7
189.05521	1.5
192.00668	0.7
193.01382	1.2
194.01514	0.6
224.46461	0.5
481.08942	2.9
481.16928	31.7
482.17581	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
59.65900	0.5
61.98814	1.3
71.01374	1.9
71.13630	0.7
76.22490	0.5
77.41875	0.5
78.95924	0.9
80.91695	0.9
85.02977	0.6
89.22569	0.5
90.89759	0.5
99.08170	1.0
102.70402	0.5
113.02483	0.7
115.05546	0.8
120.84780	0.5
121.03006	0.6
125.02466	1.0
127.07651	100.0
128.07977	0.8
131.05022	1.4
133.06644	0.8
139.03970	0.6
145.08749	1.1
147.04517	11.1
147.05614	0.9
152.99513	1.4
161.06091	8.5
169.01413	0.8
171.06627	85.2
172.06943	1.8
183.64166	0.7
189.05571	1.6
193.01151	0.9
194.01564	0.6
417.81720	0.6
437.18051	1.6
481.09052	3.4
481.17044	33.6
482.17322	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	481.1843
Annotation	Daphnetoxin
Peak:m/z	Relative Intensity
53.21964	2.7
59.01375	19.5
61.35534	2.5
61.98824	50.4
69.12775	16.4
71.01375	17.1
71.11440	2.7
71.90182	2.5
73.02925	6.7
77.14649	3.0
82.94647	3.1
82.95428	4.6
83.54230	2.5
85.02940	6.2
89.02437	11.6
90.42691	2.7
100.20315	2.5
101.02428	10.3
107.26359	2.5
109.02971	5.0
110.83074	2.5
113.02411	4.6
115.67502	2.7
125.02426	8.8
135.04509	3.1
149.04543	9.9
153.01891	2.7
161.04541	4.7
161.38075	2.7
167.45361	2.7
187.07542	6.3
193.01471	2.9
263.12894	2.8
281.13870	7.1
310.26627	3.0
443.19101	4.4
445.20731	49.7
481.18448	100.0
481.25412	5.0
482.18726	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	481.1844
Annotation	Sphenalactone B
Peak:m/z	Relative Intensity
50.99438	4.4
59.01368	17.5
61.98822	40.1
65.79757	5.3
69.32509	19.2
71.01358	22.7
73.02955	8.1
82.95399	11.1
85.02945	9.3
89.02440	7.3
94.55894	4.3
101.02417	13.4
113.02424	6.2
125.02384	7.6
139.90630	4.9
161.04529	5.8
164.23486	5.7
311.14856	7.8
372.35007	5.1
443.19122	21.6
445.20801	47.7
481.18182	100.0
481.24393	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	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
58.00586	2.0
59.01379	85.9
61.98834	3.3
70.16584	3.6
70.46278	1.4
71.01382	59.4
71.05013	2.5
72.01714	2.2
72.99310	1.7
73.02936	15.4
75.00905	1.7
83.01398	2.3
83.05027	6.4
83.60960	1.4
85.02950	12.4
87.00895	2.6
88.98837	2.8
89.02445	51.4
89.03002	2.5
95.01369	3.8
97.02955	2.1
99.00864	3.2
101.02441	26.3
104.71494	1.5
109.02933	4.8
111.04522	2.3
112.05293	3.5
113.02453	16.8
113.06105	2.0
115.07669	2.8
116.92928	1.9
119.03500	22.0
123.04541	8.6
124.01653	5.1
125.02441	18.9
125.09689	1.7
131.03513	3.3
134.07381	5.1
137.02409	4.0
137.09721	4.4
138.03258	1.8
139.04022	4.2
139.07574	2.3
143.03470	5.0
147.05605	1.8
149.04506	1.9
149.09718	54.3
150.10001	2.1
151.00359	1.6
151.03987	2.7
151.64275	1.6
153.01917	4.9
161.04550	8.3
166.02777	2.2
167.03581	2.1
167.10774	87.3
168.00679	1.7
169.01408	7.4
169.08759	2.1
179.05629	21.6
180.00673	3.1
183.03078	1.8
195.02954	2.1
205.12297	5.7
223.13484	3.9
225.03925	1.8
241.14320	11.2
247.93668	1.5
255.05153	1.9
259.15448	19.8
267.12231	2.7
268.12634	2.8
277.10703	2.0
295.11823	5.2
296.12207	4.4
311.11322	4.6
312.11902	3.2
313.05435	2.4
318.11276	5.4
318.61639	10.8
319.08231	8.6
319.11493	3.6
327.07172	1.7
345.08264	3.1
349.18674	3.2
365.36816	1.8
399.13818	2.8
399.64215	21.6
400.14200	4.7
421.20786	100.0
422.21097	3.3
437.10922	3.5
480.66782	3.2
481.09448	14.0
481.22873	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79830	0.8
57.03443	1.5
57.44114	1.0
59.01378	75.4
61.98812	4.1
70.06225	2.2
71.01378	33.9
72.99297	2.9
73.02953	8.6
74.99107	1.0
75.00875	2.6
81.03443	1.1
83.01368	2.0
85.02942	7.7
87.00882	1.4
89.02443	33.9
95.01422	1.9
97.02937	3.0
98.21973	1.2
99.00894	2.2
101.02443	15.5
101.06091	0.9
107.01366	1.4
109.02964	1.3
111.04509	3.1
112.05304	1.6
113.02454	14.1
113.06081	2.8
115.07642	3.4
119.03490	12.4
121.56943	0.9
122.03751	1.7
123.00870	3.3
123.04539	5.8
124.01644	3.8
125.02454	12.7
125.06020	1.5
125.09704	2.1
131.03482	1.6
132.46559	1.1
134.07352	1.5
135.98340	3.7
136.99095	2.9
137.02437	2.6
137.09717	2.2
139.00391	1.0
139.03952	2.1
139.07642	2.0
141.09178	1.2
143.03499	2.3
149.04584	1.7
149.09718	28.9
151.00343	2.4
151.03976	1.1
151.07692	1.3
153.01898	1.8
153.09183	1.6
161.02443	2.5
161.04527	7.2
166.02707	1.4
167.03452	1.2
167.07137	4.7
167.10770	39.8
168.00612	1.8
169.01424	13.0
169.08719	4.8
177.01860	1.3
179.05597	7.9
187.09755	2.1
189.09129	1.0
195.10326	0.9
205.12291	3.6
207.10274	2.9
223.13280	1.8
225.11263	3.9
241.14409	3.1
243.12308	1.9
245.91788	1.0
259.15475	13.2
260.15820	1.1
299.09103	0.9
301.07227	2.3
313.05576	2.8
327.07068	1.2
341.10129	2.1
345.13406	7.2
347.14966	2.2
375.08957	4.5
393.09875	1.0
421.20770	100.0
422.21103	4.7
437.10849	22.6
437.16443	0.9
481.10056	11.1
481.23389	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	481.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64464	12.4
59.01381	100.0
103.01500	96.0
109.02977	18.2
137.02438	22.0
151.03996	20.9
169.91464	13.1
245.04143	18.1
321.24316	15.0
322.24838	27.5
466.27231	76.2
481.29639	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24208	0.9
63.91010	0.8
69.15044	2.1
69.15445	4.3
78.95898	43.3
96.96954	3.4
99.32537	1.0
110.11388	0.9
123.64619	1.0
152.99583	59.6
168.15186	0.9
171.00652	17.1
172.81422	1.0
182.13094	0.9
227.03281	2.5
245.04297	100.0
246.04613	1.1
253.21715	64.7
254.22000	2.4
330.92905	1.1
405.76385	1.0
481.25729	50.0
482.26648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93029	0.3
62.92871	0.3
65.03962	0.5
67.01886	0.5
69.21355	0.7
69.21754	1.3
78.92881	0.3
81.03446	0.5
82.80009	0.3
86.72164	0.3
93.03468	1.0
95.01382	0.6
96.02169	0.7
107.05014	0.5
108.02157	3.8
109.02210	0.8
109.02949	12.4
110.03730	0.6
111.00861	0.7
121.02969	2.1
122.03735	3.0
123.00890	3.1
123.04535	1.7
124.01654	3.4
125.02444	1.0
133.03004	0.3
135.04543	1.0
137.02440	17.9
138.03236	4.2
150.03200	1.2
151.03999	19.7
152.01170	0.5
152.04510	0.5
161.02412	0.7
161.06126	0.5
162.03221	0.4
163.04018	8.9
164.04745	1.2
165.05554	1.5
165.09267	0.3
175.03978	0.8
176.04799	0.3
177.05573	1.5
179.07216	0.5
191.07233	0.4
193.08688	0.9
201.05571	0.4
203.07091	0.5
207.10222	2.5
207.66605	0.4
208.11040	0.6
221.11925	0.4
229.08662	0.4
235.23717	0.3
253.21680	1.2
257.11856	1.1
261.15002	0.7
273.18698	0.6
287.16626	0.8
287.19946	0.6
301.18076	4.8
302.18857	6.9
314.18851	0.9
315.19580	2.6
327.19647	0.5
329.21249	2.3
407.22293	0.6
447.21579	0.5
449.23270	4.6
463.24741	0.7
465.22412	0.5
466.23569	28.2
467.23477	1.9
481.25928	100.0
482.26300	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	481.2592
Annotation	Alectinib
Peak:m/z	Relative Intensity
54.46735	2.6
71.43532	2.6
72.29874	2.7
108.02236	3.3
109.02937	13.6
109.76917	2.9
117.07565	2.6
121.02909	2.7
122.03725	3.1
123.00861	3.2
124.01688	3.2
134.68678	2.4
135.04507	4.9
137.02446	32.4
138.03278	3.1
139.00323	3.1
151.03998	16.9
163.04045	3.2
170.02151	3.3
175.04021	4.5
175.07489	2.7
189.36568	3.0
195.17560	10.3
197.24237	2.6
203.07314	3.1
219.17592	11.6
261.14685	3.2
279.16010	6.6
281.17645	9.8
327.19727	5.3
328.20407	4.4
381.06598	4.2
383.06189	13.1
408.19125	2.9
448.22394	5.0
463.24927	6.9
464.08911	3.1
466.23337	16.9
481.26056	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	481.2594
Annotation	Strychnofoline
Peak:m/z	Relative Intensity
55.01862	0.6
61.87713	0.3
61.98807	0.6
70.95276	0.5
79.69777	0.3
81.03450	3.1
92.31606	0.3
95.01379	0.4
96.02146	0.9
109.02949	2.2
110.03742	1.8
122.03727	1.4
123.00886	6.6
123.04517	6.8
124.01656	2.8
125.02419	0.9
135.04480	0.9
136.05295	0.6
136.70265	0.3
137.02444	4.2
137.06105	0.7
138.03227	6.9
139.04007	0.5
142.02727	0.7
149.06073	0.8
150.03185	0.5
151.00366	0.9
151.04007	4.7
153.01917	0.5
160.84209	0.7
162.83916	0.8
165.01898	0.3
165.05542	1.9
166.02760	1.6
167.41643	0.3
179.03481	3.9
180.04156	0.5
193.05022	1.3
198.01700	0.7
207.10155	0.7
213.97775	0.3
214.83258	0.3
261.14865	0.6
262.91873	0.3
289.14413	0.8
369.24472	0.5
371.56232	0.3
395.29669	0.5
400.65781	0.3
402.67178	0.3
435.25256	1.5
439.28476	12.1
440.28821	0.6
445.23630	0.5
453.26410	12.1
453.32791	0.6
454.26642	0.4
463.24649	2.5
481.25867	100.0
482.26312	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	481.2956
Annotation	Zhankuic Acid A Methyl Ester
Peak:m/z	Relative Intensity
52.79384	0.5
61.98806	0.7
62.14660	0.5
63.75974	0.5
69.42110	1.1
69.42501	1.3
81.03479	0.9
107.04884	0.5
109.02985	0.7
110.03753	1.0
122.03708	3.3
123.04522	19.3
124.01662	1.6
125.02486	0.8
131.08771	0.5
135.04506	1.8
136.05257	1.4
137.02432	3.6
137.06059	1.7
137.63225	0.5
138.03218	4.2
139.04100	0.6
147.04485	0.7
149.06027	0.8
150.03241	0.7
151.04001	20.8
152.04793	4.6
164.04741	1.1
165.05566	18.4
166.05780	0.6
179.07068	1.1
181.22813	0.6
193.08655	0.7
193.12262	0.8
207.10210	1.1
221.11752	3.1
222.12599	1.5
287.20273	0.6
301.17825	1.0
315.19580	5.2
329.21170	1.0
343.22864	1.1
449.26947	5.1
451.24271	0.6
466.27176	56.6
467.27423	3.8
481.29504	100.0
482.29831	7.6
506.46188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18157	0.9
52.59333	0.8
61.98819	1.3
69.55347	2.3
81.03456	1.4
98.22601	2.1
101.55616	1.0
108.02201	2.5
109.02951	15.7
110.03756	1.2
120.02618	1.1
122.03697	1.4
123.00901	1.8
123.04520	1.6
124.01648	3.8
137.02438	15.0
138.03227	6.8
150.03296	1.2
151.04001	19.7
152.04759	1.1
161.06026	1.0
165.05588	2.5
179.07056	1.1
184.63557	1.0
188.07553	1.1
193.08691	1.3
207.10217	1.9
301.17993	5.3
322.24725	1.7
329.21295	1.9
408.10660	1.3
449.26840	3.2
451.24976	5.0
466.27216	55.3
467.27557	2.7
481.29581	100.0
482.30270	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	481.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23692	0.4
55.01873	1.0
69.12098	0.4
69.39214	1.5
70.04231	0.3
81.03459	0.4
95.05021	0.7
108.02188	0.9
109.03008	0.6
110.03716	0.5
111.04576	0.5
121.02934	0.5
122.03735	12.9
123.00887	1.0
123.04507	1.5
124.01627	0.9
124.44102	0.4
125.02490	0.5
135.04495	1.5
136.01712	0.4
136.05293	5.3
137.02443	2.2
137.06088	0.6
138.03226	31.8
139.04025	0.4
148.05296	2.4
148.95140	0.4
149.06093	4.1
150.03180	0.6
151.00191	0.4
151.03976	0.6
152.04764	0.6
161.06021	0.4
163.07639	1.4
164.04796	4.5
174.06862	0.8
177.05559	0.6
178.06366	0.7
191.07129	0.4
191.10655	0.4
293.17496	0.8
339.23120	0.5
341.24692	0.5
381.27731	0.8
388.44821	0.4
392.95932	0.5
397.27396	1.7
409.30939	1.9
419.29962	0.5
423.24423	0.5
435.28986	0.8
437.30408	0.6
439.27618	0.8
453.29984	6.0
463.28494	6.4
466.27155	0.7
481.29535	100.0
482.30042	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3318
Annotation	Oncostemonol E
Peak:m/z	Relative Intensity
51.13804	0.3
55.01874	1.9
56.88890	0.2
71.47051	0.3
95.05000	0.7
105.07086	1.0
115.91982	0.3
116.92867	0.3
119.90806	0.4
123.00869	0.4
123.04514	0.3
136.05302	7.6
137.06050	0.9
149.06076	13.7
150.06850	0.4
163.07629	3.1
164.08308	0.3
168.04228	0.4
177.09229	1.2
191.10771	1.0
196.66347	0.3
205.12341	2.7
213.91739	0.3
219.13878	0.4
259.16971	1.2
260.17691	0.4
269.32687	0.3
273.18524	0.8
287.20157	0.5
301.21811	0.4
315.23285	0.4
329.24774	1.1
347.18723	0.3
363.25134	0.5
381.27832	0.3
397.30975	1.0
407.29437	0.6
421.31223	0.5
425.30579	0.7
437.34122	6.3
438.34497	0.5
439.32217	0.4
443.14548	0.3
451.26834	0.8
466.30872	0.5
469.01086	0.3
481.33197	100.0
482.33484	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	482.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98800	2.7
68.92131	1.0
70.11639	2.9
95.97696	1.0
101.49757	1.0
118.89960	4.9
131.35855	1.2
139.20027	1.3
160.84155	2.3
162.02016	1.2
162.83908	100.0
179.70778	1.2
266.56055	1.1
323.56522	1.2
482.15045	2.8
493.07376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70142	13.2
59.01374	44.7
61.98833	100.0
70.79473	21.4
71.01374	25.4
73.02977	17.1
89.02428	26.7
96.96001	27.2
101.02460	23.3
125.02428	64.0
126.02851	20.5
138.01973	69.2
138.05577	76.1
169.01363	20.9
292.12579	14.6
309.12378	16.1
320.08463	39.6
421.02417	13.4
446.16431	57.6
482.09543	27.8
482.23373	29.9
483.12061	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	482.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48035	4.9
56.74597	5.8
59.01379	100.0
61.98816	39.3
71.01379	12.9
72.44241	5.0
73.34591	5.0
78.95924	6.2
80.78989	5.7
80.91692	15.3
82.95437	6.3
83.01399	5.3
84.99384	5.0
93.03445	7.7
101.02432	13.1
113.02454	9.2
129.39810	5.5
137.02403	13.3
152.99586	5.7
213.91554	4.6
271.02237	9.0
275.76135	5.6
285.31244	5.2
300.02625	18.9
301.03476	14.3
447.09052	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	482.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09724	3.6
59.01378	100.0
61.98823	45.7
69.87474	5.8
69.87802	9.5
71.01376	9.7
73.02930	6.3
78.95847	4.2
82.95409	11.7
85.02938	6.2
98.21934	4.8
99.15086	3.5
101.02422	8.3
111.00037	3.9
152.99619	6.6
171.15732	3.9
218.14551	5.3
289.16653	3.8
300.02679	6.6
379.21506	4.6
447.09286	9.9
476.08157	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	482.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85339	2.7
57.03432	5.2
59.01377	22.3
61.98833	42.5
69.11502	18.7
71.01378	4.1
85.02936	2.8
86.95633	2.9
87.54572	3.2
101.02420	3.1
106.06620	82.1
108.02175	7.0
109.02962	24.1
110.03297	5.3
113.02428	4.1
125.02440	29.2
125.67753	2.7
137.02431	6.3
150.05600	48.1
153.01958	23.7
154.02281	10.2
161.02415	10.7
194.04587	100.0
255.02878	4.3
269.04547	9.7
271.02478	6.5
287.05585	5.0
300.02661	13.3
301.03363	6.3
305.06848	13.1
332.38257	3.9
442.16412	3.1
446.73145	3.1
447.09308	15.1
482.21790	33.8
483.18344	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	482.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54479	1.7
61.98828	100.0
69.57391	7.8
98.21882	3.6
99.00981	1.7
147.90088	1.7
184.22751	1.8
205.86551	2.2
297.39063	2.0
343.99536	2.0
353.24368	4.0
409.31067	4.2
410.31369	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05874	1.5
52.32167	1.3
65.00314	2.0
71.28594	1.8
77.88470	1.8
83.74223	1.5
85.42416	1.4
100.15300	1.3
107.01369	2.8
109.02961	1.8
121.02956	2.6
122.53783	1.3
151.00354	12.0
163.00394	2.2
178.99831	8.1
185.20595	1.8
192.00642	1.5
211.03964	1.7
211.51894	1.6
216.84613	1.5
227.03528	1.8
243.02991	8.4
245.04544	3.0
254.01968	1.7
255.02972	20.4
271.02475	39.3
272.02902	2.2
283.02322	1.7
300.02734	85.0
301.03494	60.1
302.03891	1.9
316.84723	1.6
447.09290	100.0
448.09409	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	483.07
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01377	6.9
61.98828	6.8
64.86303	1.2
69.40559	5.7
71.01385	2.5
73.02943	1.6
78.54013	1.3
80.91663	1.8
82.95403	5.7
83.01401	1.6
84.95110	2.9
85.02940	1.9
92.77053	1.2
96.96027	2.1
101.02409	1.6
103.05538	4.0
107.01384	2.6
108.02161	1.6
109.02954	4.2
115.09698	1.1
119.74480	1.1
121.02971	3.6
123.04527	3.3
125.02444	23.1
126.02784	2.8
127.02901	2.7
131.06171	3.3
133.02963	4.8
135.04546	1.8
137.02426	1.9
147.04510	7.6
147.71832	1.1
148.01726	1.4
149.02435	4.5
151.00383	7.9
153.01944	4.9
160.04004	1.4
161.02437	5.6
162.03116	2.2
163.00319	2.1
163.04002	4.2
167.03482	3.1
167.04852	1.3
169.01392	4.2
175.03902	1.7
177.01927	64.8
178.02219	1.8
178.99820	4.1
181.05034	1.4
191.03493	74.1
192.00624	2.8
192.03929	1.8
194.05551	1.4
195.02995	1.6
199.03996	2.2
209.04584	1.7
217.05063	2.1
227.03583	3.2
233.04472	1.6
243.02917	4.7
245.04480	1.8
255.02969	13.6
255.58727	1.2
269.06696	5.4
271.02481	25.4
272.03125	1.9
283.02457	1.7
287.05624	2.3
291.63724	2.7
300.02713	50.0
301.03497	35.2
302.03812	1.5
305.06570	1.7
321.14526	8.6
378.23816	3.9
400.38580	1.3
402.17239	1.3
447.09283	100.0
448.09668	7.1
483.18680	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	483.0778
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.48814	0.6
55.01892	0.9
59.01367	3.9
62.00838	0.5
67.01917	0.7
69.03503	0.8
70.13934	1.0
71.01402	2.7
73.02966	0.8
81.03471	1.4
83.01405	0.8
85.02950	1.5
87.25627	0.6
95.01384	0.9
96.96025	0.8
97.02965	1.7
99.00850	0.8
101.02450	2.5
107.01389	9.6
109.02998	0.8
111.00890	2.6
113.02459	2.7
121.02941	0.9
123.00893	6.9
124.01649	19.5
125.02441	79.1
126.02769	1.1
127.00362	1.0
135.09375	0.6
136.98795	1.7
137.02429	2.1
138.03212	1.1
139.00375	3.6
139.04008	14.3
140.01131	3.1
141.01924	1.5
149.02431	0.6
151.00362	5.1
153.01933	0.8
161.04547	1.1
165.01917	2.6
167.03470	3.3
168.00624	16.8
169.01418	100.0
169.05048	22.3
170.01765	1.7
177.01822	0.7
181.01404	1.3
183.03030	3.2
192.00844	0.6
193.01410	24.5
211.02472	62.2
212.02806	0.9
235.02512	0.6
241.03500	3.6
271.04581	46.0
272.04901	1.2
287.07761	3.4
305.06381	0.9
313.05640	17.0
331.06424	9.3
331.10147	5.4
423.05286	1.6
439.08798	10.4
465.06219	2.4
483.07257	66.7
484.07678	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	483.078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80406	0.4
57.03435	1.3
59.01376	4.7
61.98832	3.3
65.00323	1.4
65.25382	0.5
67.01902	0.7
69.03447	1.0
69.70401	1.4
71.01369	4.9
73.02959	0.8
77.03115	0.5
78.49752	0.4
79.01897	1.1
81.03455	1.2
83.01389	1.5
85.02946	1.4
88.04008	2.3
89.02433	1.3
95.01386	1.3
96.96026	1.3
97.02944	1.8
101.02454	2.8
107.01391	8.6
109.02940	1.0
111.00882	1.0
113.02468	1.9
121.02950	0.8
123.00884	7.3
123.04450	0.6
124.01659	7.6
125.02444	70.7
126.02795	1.0
130.05101	1.2
136.98840	0.6
137.02437	3.1
139.00362	1.5
139.04037	1.5
140.01140	1.3
141.01904	1.5
149.02443	0.9
150.03203	0.8
151.00371	15.2
151.04045	0.5
153.01910	1.0
160.06155	7.7
160.97493	0.5
161.02443	0.9
163.03976	0.6
165.01933	1.4
166.99812	0.6
167.03467	3.5
168.00641	6.6
169.01421	94.3
170.01764	1.3
172.51370	0.5
175.00206	0.8
176.20540	0.5
177.01942	0.6
179.03522	0.8
181.01476	1.2
183.02832	0.5
192.00693	0.6
193.01425	3.8
195.02936	0.5
197.04527	0.9
211.02461	18.3
223.02457	0.7
235.02798	0.6
241.03523	6.1
248.33858	0.5
253.03639	1.0
261.00693	1.1
263.00146	0.5
271.04581	16.6
287.05484	0.6
305.06610	1.7
313.05637	27.9
314.05972	1.0
327.07758	0.5
331.06702	7.0
439.08701	6.6
482.27057	0.5
483.07739	100.0
484.07925	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	483.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80254	0.8
55.01859	0.9
59.01375	5.8
61.98829	38.1
64.53480	0.8
67.66071	0.8
69.03421	2.5
69.49962	3.4
71.01394	4.7
73.02938	1.5
75.00864	1.3
81.03432	1.4
83.01350	2.0
85.02923	1.8
89.02441	2.7
93.03424	3.0
94.98083	6.6
95.01372	2.2
97.02924	2.9
101.02424	1.2
107.01417	5.3
109.02912	1.0
111.00892	1.1
111.04466	1.4
113.02424	2.4
121.02872	0.8
123.00887	7.8
124.00865	1.3
124.01673	22.5
125.02443	82.7
126.02720	2.4
133.05019	3.7
136.05000	0.9
137.02397	2.6
139.00346	1.7
139.04010	1.0
140.01082	1.0
149.02365	0.9
149.04451	0.8
149.99582	29.9
151.00354	6.1
153.01881	1.0
154.02583	1.3
161.02354	2.3
162.03209	1.1
164.01006	1.4
165.01833	0.9
167.03465	2.0
168.00636	59.6
169.01418	27.3
173.04515	1.4
177.01862	1.6
178.99644	0.9
181.04961	0.9
183.02895	1.5
190.02641	2.7
192.00653	24.1
193.01372	6.3
194.02058	2.6
194.99240	3.1
205.01302	1.1
206.01999	1.4
207.02974	14.8
211.02344	2.2
215.59906	1.0
222.01563	0.9
234.01700	6.1
249.04056	4.7
287.07883	1.4
294.03400	0.8
305.06631	1.4
309.06113	4.6
312.04749	2.6
313.02628	0.9
313.05698	11.1
327.07123	10.0
331.06677	57.2
414.47375	0.9
439.08719	9.9
447.08990	1.0
447.15054	1.3
477.72998	0.9
482.22690	1.8
483.07474	100.0
484.07675	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	483.1143
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
55.94814	0.3
57.03462	0.6
59.01371	1.1
61.98819	0.7
67.01887	1.0
68.99777	0.5
69.03455	0.7
69.58829	1.2
71.01382	2.8
73.02946	1.2
78.01104	0.4
79.01881	0.8
81.03468	0.5
82.00591	0.5
83.01388	1.4
85.02952	1.7
86.00108	0.4
89.02429	0.6
93.03470	0.8
95.01378	1.6
97.02937	0.8
98.21960	0.5
99.00895	0.6
101.02444	1.2
107.01386	7.1
109.02917	0.8
110.00085	0.9
111.00879	3.9
111.04478	0.7
113.02473	1.7
123.00887	12.7
123.04612	0.4
124.00726	0.5
124.01658	14.3
125.02445	30.3
126.02781	0.5
127.00379	0.7
127.04049	0.3
136.98804	1.3
137.02431	1.4
138.03210	1.1
139.00372	20.2
139.04002	2.8
140.01161	10.9
141.01956	4.0
149.02472	0.4
151.00372	6.4
151.03976	0.7
153.01924	3.1
154.02719	13.2
154.99857	0.4
155.03496	4.6
161.02432	0.7
164.01144	1.1
165.01990	0.5
166.02715	0.5
167.03493	0.7
168.00635	7.7
168.04234	0.6
169.01418	32.8
169.05046	6.7
170.01758	0.6
173.04594	0.4
177.01883	0.9
179.03561	0.6
182.02225	0.8
183.02985	8.8
190.02663	1.0
191.98911	0.6
192.00641	10.1
193.01390	2.5
194.02171	1.9
197.04468	0.6
205.01462	0.7
206.02179	0.5
207.02977	7.1
208.03310	0.6
211.02473	1.1
211.52106	0.3
220.60094	0.4
222.01665	0.9
225.04054	1.5
227.98479	0.3
234.01576	2.3
249.04053	1.4
253.03477	0.6
255.05103	0.5
285.06152	1.9
297.06216	1.6
305.06720	0.6
309.06134	1.8
312.04846	1.4
313.05637	6.0
327.07199	8.0
331.06653	1.4
465.09705	0.5
483.11475	100.0
484.11841	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	483.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14557	6.4
59.01384	29.6
63.42907	6.5
69.51465	24.6
71.01357	15.8
73.02936	6.4
81.03448	7.9
85.02945	6.4
89.02436	11.1
89.77110	6.3
96.95992	9.0
101.00623	5.9
101.02449	7.4
108.02192	7.2
109.02985	15.7
113.02434	8.0
121.02855	6.9
123.00843	9.4
124.01639	18.6
125.02450	90.3
133.01393	11.0
137.02434	25.6
138.03244	9.8
139.04036	31.2
141.01682	16.9
149.02455	7.2
151.00505	5.7
153.01926	29.5
161.04492	11.6
165.01910	20.5
167.03488	12.2
169.01425	41.8
177.01952	43.0
179.03439	16.4
193.01379	9.0
193.05040	6.9
211.02452	10.3
219.06631	8.2
284.12354	7.2
296.94925	10.0
305.06662	100.0
348.75778	6.7
400.99200	12.3
430.15677	6.8
447.15009	69.9
483.06989	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03444	1.2
59.01376	100.0
60.01701	0.4
61.98830	0.5
62.43481	0.4
67.01888	0.5
67.91362	0.4
69.03462	1.3
69.11229	2.0
71.01379	27.4
72.02142	0.4
72.99317	0.7
73.02942	60.0
75.00867	0.8
81.03452	0.6
81.31345	0.4
83.01381	12.3
85.02953	4.9
87.00871	1.6
89.02440	13.4
94.92513	0.4
95.01402	1.3
97.02961	1.7
99.00890	1.5
99.04536	0.5
101.02440	39.0
102.02763	0.5
107.05042	1.2
109.02953	8.4
109.06607	0.7
111.00887	0.5
111.04494	0.7
113.02443	12.2
119.03500	4.6
121.06576	1.0
122.03735	1.4
123.04502	1.0
124.05296	1.9
125.02449	1.7
131.03488	2.2
133.06581	11.4
135.04605	0.4
135.08174	0.7
136.05316	0.5
137.06087	3.7
139.07651	14.5
143.03503	2.4
143.49484	0.4
145.05081	0.8
146.74924	0.4
149.04593	1.8
149.05995	2.5
150.06860	0.8
151.07654	1.8
155.03510	1.1
157.10263	0.6
161.02446	0.5
161.04552	8.1
161.05869	0.8
163.07613	0.6
169.08743	1.7
175.11227	0.6
178.06325	0.4
179.05608	1.1
187.11264	1.3
190.02740	0.6
190.09946	0.7
192.00652	1.8
193.01460	0.5
193.08638	0.6
199.04007	1.4
199.11360	0.5
201.09300	0.5
202.10063	1.0
203.05705	1.1
204.11609	1.7
205.12334	3.5
207.02975	0.8
217.04996	1.0
217.12303	4.3
234.01724	1.4
235.13353	2.6
241.05136	0.7
243.10300	0.6
249.04105	0.6
259.94647	0.4
261.11377	1.5
313.12921	10.6
313.16455	0.6
327.07224	3.4
331.13965	10.5
372.14209	24.6
373.15027	5.6
379.17426	1.5
397.18723	2.1
421.11356	0.5
421.18365	0.5
421.81793	0.4
439.13803	0.7
439.19730	5.4
441.17532	0.5
465.17316	0.6
483.18710	67.1
484.19147	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03939	6.0
53.53774	6.1
59.01378	50.2
61.98834	100.0
62.98536	5.7
65.13110	5.2
65.73376	5.3
71.01366	7.9
71.07575	6.4
73.02951	12.7
75.79756	5.1
87.91067	5.2
101.02410	12.4
125.02405	7.5
141.00508	5.6
143.03484	8.0
146.55986	7.1
153.01884	5.4
211.13422	20.8
255.02992	13.5
261.24725	5.5
271.02438	17.7
271.12497	6.1
300.02866	35.5
301.03445	24.4
447.09262	46.9
447.22076	7.6
483.19983	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30163	2.6
70.01008	10.1
77.20902	2.7
106.77446	3.0
175.49773	2.9
184.41235	3.3
225.58414	3.1
235.88739	3.1
441.02704	2.8
483.20041	100.0
484.20139	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	483.2002
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
53.32367	4.8
55.40350	5.1
56.61570	4.6
57.81106	5.0
59.01384	55.0
61.98833	7.3
66.92935	4.3
67.19985	5.6
68.99564	15.7
69.24415	11.1
69.24806	15.4
71.01379	29.7
73.02936	15.3
74.22823	4.9
75.03297	5.9
82.95403	23.3
85.02943	9.4
89.02443	18.2
101.02436	17.7
110.87630	5.3
112.98567	22.3
113.02438	13.0
138.03189	6.4
139.91013	6.1
149.04564	7.4
152.99525	10.2
161.04521	11.5
165.65504	5.7
166.02806	5.4
173.06041	22.4
174.06801	14.4
189.09193	100.0
249.11348	9.2
271.55862	6.6
299.33511	5.9
321.16913	10.2
365.35120	6.4
447.09308	11.3
447.22427	42.8
483.20236	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2001
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
56.33532	10.0
59.01365	67.2
61.98825	17.1
66.66330	8.5
69.24685	37.0
70.84012	8.3
78.95892	11.1
82.95387	22.4
84.95123	13.7
98.52782	11.6
115.30817	8.4
138.19426	9.7
152.99504	10.0
220.57417	9.1
381.25238	9.7
417.79993	10.2
447.22128	28.7
483.20129	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	483.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	2.9
59.01381	9.2
61.98824	12.3
69.03422	0.9
69.47657	2.3
71.01357	2.8
73.02907	2.5
80.91659	0.9
81.03430	2.8
82.94980	1.2
82.95420	18.7
83.01376	1.2
83.04996	2.3
85.02933	1.4
89.02406	1.6
90.12434	0.7
93.03467	0.8
95.04990	1.4
101.02402	3.2
108.02164	0.8
109.02927	2.8
109.06568	1.9
113.02419	2.3
122.03710	1.4
123.04524	13.4
123.08133	1.7
125.02435	4.6
135.04454	2.0
137.02412	1.3
138.36781	0.8
139.11195	1.4
151.07549	0.8
153.01961	3.4
154.02206	0.7
161.04480	0.8
161.06061	2.6
177.01874	2.1
179.07106	2.5
191.03566	1.1
226.82335	0.7
231.13901	1.0
241.16017	1.3
255.02979	1.0
259.17029	9.2
261.14990	0.8
271.02521	1.5
275.16620	0.7
277.18048	13.0
285.11963	1.2
285.14911	8.2
300.02710	2.9
301.03488	2.0
303.16013	39.3
304.16190	1.6
305.06561	0.9
321.17050	100.0
322.17264	5.0
343.07233	1.4
345.16962	1.6
347.98257	0.7
359.06586	1.1
447.09155	3.8
483.22430	71.8
484.22617	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	483.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.00306	1.0
60.35121	1.5
71.01038	1.3
71.01378	6.7
73.02940	2.2
78.95890	1.8
83.22739	1.1
85.02965	3.3
88.96013	1.1
89.02439	2.7
93.85229	1.2
101.02462	4.8
113.02449	3.9
115.88315	1.1
123.35734	1.2
140.96185	1.0
152.99516	1.5
156.29573	1.2
161.04510	2.1
195.88373	1.1
209.08054	1.6
235.16937	2.0
280.57919	1.5
320.94046	1.5
379.21280	3.0
397.22247	4.0
439.23337	2.8
447.22559	5.7
483.19781	14.0
491.83023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33867	1.6
57.61634	1.3
58.95695	1.3
59.01376	100.0
61.86789	1.3
61.98830	2.0
69.44466	5.9
71.01363	11.0
73.02943	13.3
76.71224	1.4
78.91882	5.5
80.91673	28.9
82.95406	4.9
83.01376	4.9
85.02940	4.6
89.02425	4.8
92.15398	1.5
94.30503	1.5
95.01354	1.6
95.20172	1.9
101.02448	10.6
113.02480	7.7
119.03569	2.4
122.78614	1.5
125.02466	1.9
127.78254	1.5
141.01669	17.5
148.75194	1.3
151.00404	3.3
155.02049	1.9
161.04498	4.4
211.16278	1.5
255.02943	4.3
271.02548	8.4
300.02725	15.5
301.03537	10.5
315.18222	1.7
325.21494	1.9
361.85693	1.9
397.17825	8.7
447.09250	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	483.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66543	0.6
59.01378	100.0
60.06475	0.6
75.00873	1.2
111.00880	5.5
120.21232	0.6
131.62292	0.5
133.07994	0.6
135.03033	2.6
154.48499	0.7
173.00977	0.7
177.57515	0.6
193.10376	0.7
215.44229	0.7
251.13007	1.5
293.21243	0.7
300.02814	1.3
365.16364	0.9
427.52176	0.7
447.09744	1.2
482.53162	0.7
483.18805	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66661	0.6
70.66997	0.5
78.95901	19.6
91.01030	0.5
96.96948	2.3
119.35435	0.5
150.98039	0.5
152.99583	29.7
171.00656	1.4
227.03293	4.8
245.04343	1.2
255.23288	100.0
256.23621	3.9
277.50653	0.5
312.72946	0.5
391.22504	0.6
483.27264	62.8
484.27515	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58960	0.3
78.48827	0.3
78.95903	7.5
96.96947	0.6
99.47011	0.3
131.84071	0.3
152.99582	16.3
163.13875	0.3
171.00653	1.3
227.03253	3.2
245.04347	1.3
255.23280	100.0
256.23596	3.6
483.27264	39.7
484.27670	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39697	0.6
54.89694	0.6
68.07621	0.7
70.98037	0.7
78.13766	0.6
78.95900	20.9
96.93844	0.8
96.96998	1.0
112.27055	0.6
122.16443	0.7
148.09358	0.6
150.97981	1.2
152.99590	32.1
154.44978	0.8
171.00647	1.8
185.23868	0.7
227.03210	3.3
255.23276	100.0
256.23553	3.1
256.51636	0.7
258.20700	0.7
329.54904	0.7
341.42038	0.7
344.78397	0.7
409.23456	2.5
471.85883	0.7
483.27249	54.2
484.27621	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	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
57.90024	0.3
61.91047	0.3
71.12582	0.4
78.95899	6.6
80.69787	0.3
85.00434	0.5
96.96994	0.4
98.23354	0.3
125.60007	0.3
139.02995	0.3
152.99577	13.9
171.00607	1.2
183.06610	0.4
189.13992	0.3
194.43089	0.3
227.03282	3.4
245.04323	1.9
246.62946	0.3
247.04816	0.7
255.23279	100.0
256.23593	3.1
294.40903	0.3
300.02933	0.3
352.40601	0.3
357.78198	0.3
421.92499	0.3
483.27234	31.7
484.27585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
69.39240	3.0
72.55396	0.7
75.64251	0.6
78.95900	21.0
82.28847	0.6
96.96952	1.9
98.22605	0.7
152.99582	36.2
171.00665	1.3
197.24561	0.6
226.95279	0.6
227.03236	5.1
245.04465	1.4
255.23277	100.0
256.23615	2.6
383.25858	0.7
391.22464	1.0
409.23465	3.5
447.09515	1.1
483.27252	69.8
484.27533	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	483.275
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
57.03435	0.7
61.98827	0.3
65.03957	1.0
67.01882	0.8
69.63506	1.0
71.55427	0.2
81.03462	0.7
93.03429	0.3
95.01379	1.6
96.02161	0.5
97.02976	0.3
107.05069	0.2
108.02159	2.6
109.02953	21.1
110.03722	0.8
111.00834	0.3
111.04536	0.4
121.02978	0.9
122.03700	1.4
123.00859	1.3
123.04531	2.5
124.01638	3.3
125.02457	3.5
126.35768	0.2
135.04503	0.5
136.01643	0.6
137.02443	16.7
137.06075	0.5
138.03238	3.6
142.02731	0.3
144.78412	0.3
148.05273	0.5
149.06047	0.3
150.03218	0.6
151.04007	15.6
152.01100	0.5
152.04649	0.3
161.06094	0.7
163.04004	0.5
164.04633	0.2
165.05508	1.7
165.09163	0.3
166.06253	0.3
177.05539	0.4
179.07178	1.4
179.10757	0.4
193.08690	0.9
198.05331	0.7
201.09158	0.3
207.10243	1.6
208.11081	0.7
221.11707	0.4
233.11942	0.2
259.13394	0.8
261.14911	0.6
273.15186	0.4
273.18466	0.5
287.16476	0.4
288.17136	0.3
299.16406	0.3
301.18118	3.3
302.18793	1.7
315.19638	0.8
316.20471	0.3
329.21271	1.8
330.22049	1.8
366.21869	0.8
393.20792	0.5
407.25931	0.5
409.23972	0.4
410.21075	1.8
424.26166	3.1
425.23090	1.5
426.24054	1.0
433.23764	0.9
449.23163	0.3
450.24142	2.0
451.24728	1.8
465.26318	1.4
467.24216	0.5
468.25153	19.8
469.25562	1.0
483.27505	100.0
484.27911	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	483.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.6
69.29088	2.3
69.29475	1.8
78.95923	1.0
80.02708	0.9
94.79125	0.9
95.05027	65.1
96.05384	1.5
97.06577	2.6
108.02204	1.3
112.98785	2.1
123.08142	1.7
139.07652	36.1
141.09216	3.3
151.07660	3.0
167.03439	1.3
167.07167	1.2
169.08708	2.4
173.52719	1.1
211.06122	100.0
212.06448	1.3
222.06654	0.9
227.20137	2.1
253.21756	3.6
255.23119	2.1
272.41724	1.0
275.64099	0.9
281.17822	1.0
281.21149	2.5
307.26340	1.6
309.20764	1.3
321.24332	1.5
333.27841	1.3
335.29526	2.9
361.27496	1.8
363.25220	2.9
379.28503	1.8
407.28006	6.1
483.29517	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	483.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	1.9
72.99277	1.9
81.20083	1.8
88.79165	1.8
95.05023	70.1
97.06588	2.9
98.21891	6.0
112.98813	2.8
123.00887	3.0
125.09783	2.1
137.02322	2.2
139.00272	2.0
139.06610	2.9
139.07652	39.1
141.09225	2.4
151.07648	3.8
205.78793	1.8
211.06102	100.0
253.21793	2.9
255.23254	3.3
281.21164	2.4
333.20670	8.9
335.29520	3.1
363.25159	2.1
370.96060	1.9
379.28680	2.2
407.27737	4.7
426.10941	2.1
483.28558	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	483.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96770	0.4
57.63852	0.4
58.37357	0.4
69.22697	2.2
79.76598	0.4
81.03416	0.6
98.77301	0.4
99.57483	0.4
108.02166	1.3
109.02949	10.4
122.03741	0.8
123.00879	1.1
123.04520	2.0
124.01658	2.8
137.02434	11.4
138.03235	4.4
142.61128	0.4
150.03271	0.8
151.03990	14.1
152.04823	0.5
161.06056	0.5
165.05571	1.4
179.07098	0.6
193.08684	0.6
207.10237	1.6
233.11922	0.4
247.13417	0.4
261.15036	0.8
268.28201	0.4
275.16562	1.1
287.28348	0.4
293.23303	0.4
310.21121	0.4
317.21085	0.4
331.23016	0.5
334.48846	0.4
408.06653	0.4
451.28619	2.4
453.26288	2.9
468.28741	51.5
469.29199	3.3
483.31128	100.0
484.31396	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	483.3112
Annotation	3-Keto-24-epi-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
55.01867	1.0
61.98838	0.3
62.52185	0.2
75.00877	0.3
77.15838	0.3
81.03456	38.4
82.03787	0.4
93.07085	1.4
95.05038	1.8
122.03714	0.7
123.04518	0.5
135.03014	0.3
136.05341	0.3
137.06081	100.0
138.06424	2.0
149.06142	0.4
162.83914	0.7
164.04828	0.3
177.19318	0.3
219.17508	1.9
289.21790	0.5
291.16089	0.5
293.17664	0.6
301.25327	3.0
319.15524	3.0
334.35754	0.3
345.24319	6.9
346.24402	0.3
348.79666	0.3
383.29654	0.5
427.28397	1.1
439.32224	1.1
483.31165	78.4
484.31619	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	483.3111
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
54.91739	0.3
54.99377	0.3
61.49323	0.3
68.63787	0.3
69.14338	1.2
69.14747	0.7
70.83902	0.3
78.95911	1.4
79.05521	1.6
81.03451	38.6
103.42952	0.3
110.17417	0.3
114.78702	0.3
122.03712	1.6
123.04519	100.0
124.04847	1.1
135.04451	0.3
136.05319	0.7
137.02415	0.4
137.06075	1.2
142.64793	0.3
149.06079	0.8
152.99585	3.2
153.01685	0.3
227.03386	1.1
239.35417	0.3
255.23274	20.6
256.23523	0.5
281.93317	0.3
359.25906	3.2
383.26038	0.5
397.31284	0.8
411.25403	2.8
441.30090	2.2
483.31390	59.9
484.31766	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	483.3114
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
70.12289	0.6
79.70972	0.2
81.03451	5.9
83.61542	0.3
85.71987	0.3
93.03437	0.5
94.71294	0.3
108.02168	1.1
109.02963	0.4
121.02948	0.6
122.03736	45.7
123.00820	0.4
123.04539	15.1
124.04814	0.5
125.02429	0.3
135.04509	0.9
136.05310	0.6
137.02475	1.6
137.06081	30.8
138.06407	0.6
151.04002	0.8
151.07619	0.8
152.99554	0.7
154.02739	0.7
155.01096	0.3
177.05579	0.4
197.77145	0.3
255.23238	1.6
261.18558	0.5
319.19208	0.3
345.24323	4.6
414.09769	0.3
468.27664	0.9
483.31174	100.0
484.31540	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	483.3475
Annotation	Stowardolic acid
Peak:m/z	Relative Intensity
55.01633	0.1
55.01873	1.6
62.75412	0.1
69.21667	0.3
69.22073	0.2
71.05033	0.2
77.72977	0.1
80.31797	0.1
95.05011	0.7
98.22327	0.4
105.07095	1.0
105.79626	0.1
107.05051	0.2
109.06639	0.1
122.03775	0.3
123.04533	0.2
135.04521	0.3
136.05293	6.0
137.02444	0.1
137.06053	0.3
148.05397	0.1
149.06070	10.0
150.06834	0.5
151.03992	0.1
163.07623	1.5
163.31715	0.1
177.09206	0.9
191.10754	1.1
205.12286	0.8
219.13844	0.6
233.15456	0.6
247.17047	0.5
261.18622	0.5
275.20129	0.6
289.21646	0.4
303.23447	0.4
317.24829	0.4
331.26373	1.1
357.28030	0.2
383.29498	0.2
395.29279	0.2
399.32648	1.0
400.33157	0.1
409.31067	0.5
423.32535	0.3
427.32227	0.8
437.34256	0.2
439.35767	6.0
440.35971	0.5
441.33853	0.3
453.30151	0.3
465.33514	0.2
467.31696	0.2
468.32611	0.5
483.34753	100.0
484.35126	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	484.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14525	1.2
55.66571	1.4
57.17556	1.2
58.02978	8.8
59.01381	22.1
59.21231	1.2
61.98825	7.3
66.03481	1.3
69.09417	9.2
70.02994	1.6
71.01361	5.9
73.02927	3.1
74.02475	20.2
78.95900	6.8
82.02990	2.2
85.02946	1.9
85.04031	1.5
86.02476	10.0
87.05626	4.3
89.02440	1.7
90.00169	3.2
91.72033	1.4
97.04076	2.0
99.05640	18.9
101.02419	3.0
101.07187	3.2
106.69601	1.3
109.04086	2.1
111.05634	2.6
111.41177	1.2
112.04018	2.3
113.02428	3.1
116.01734	2.6
123.05591	2.5
123.08107	1.7
125.03553	1.8
127.05138	4.4
128.03534	47.5
135.05638	5.5
141.06673	4.3
143.04617	69.7
145.06197	3.2
146.04581	6.6
152.99597	6.7
153.06673	5.0
160.00737	21.6
166.09833	2.2
167.04623	3.3
167.08276	2.4
177.03410	8.2
179.04596	14.0
179.54468	1.4
185.05664	2.5
197.05594	2.7
210.08865	13.5
254.07802	26.6
255.03098	1.8
256.03271	1.7
271.02557	2.0
271.12183	1.4
272.02673	2.0
272.08868	42.6
287.13986	2.4
288.06680	12.8
291.18176	1.6
300.02744	1.9
301.03326	4.8
302.03821	1.8
306.07639	100.0
307.07779	2.3
416.59949	2.0
424.22766	7.7
447.09186	1.8
448.09448	9.0
484.21106	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	484.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62020	2.3
58.02967	7.0
58.47829	2.4
59.01377	28.9
59.91771	2.1
61.98821	9.1
71.01382	9.9
73.02952	4.6
74.02472	23.3
78.95899	7.1
85.02952	4.8
86.02473	7.7
87.05627	5.8
89.32430	2.5
97.04086	3.3
98.21886	5.8
99.05644	21.9
101.02444	7.7
102.05604	3.7
109.04056	3.7
113.02509	2.8
125.02457	2.8
127.05141	3.1
128.03546	45.0
135.05646	7.1
137.02464	5.8
141.06691	3.9
143.04622	63.2
146.04564	8.4
152.99590	6.3
153.06711	4.3
160.00749	24.9
161.04489	2.5
166.09865	4.3
167.04588	4.3
167.08212	3.4
177.03371	8.4
179.04601	14.5
192.00864	2.2
207.02094	2.6
210.08798	9.4
254.07782	22.4
255.03044	2.8
256.03406	3.2
272.08862	39.5
288.06525	14.8
300.02750	7.6
301.03369	11.6
302.03726	4.2
306.07635	100.0
357.06076	2.3
424.22787	8.1
431.12967	2.8
447.09454	3.3
448.09644	16.7
484.21252	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	484.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74286	13.5
57.88650	13.8
59.01372	100.0
61.98825	25.7
67.19233	13.6
70.50342	30.2
70.90340	14.7
75.21186	14.4
85.15835	13.6
109.13184	14.4
122.47870	15.5
123.04536	22.4
125.43625	15.2
168.12520	13.9
178.28613	14.7
275.89896	14.6
301.03137	18.8
374.05878	17.5
448.09384	30.6
484.25671	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	484.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26255	8.7
59.01377	100.0
61.98829	17.2
69.30299	51.2
71.01381	14.3
101.02449	10.4
146.74829	11.3
150.60014	12.0
169.62823	10.0
340.49588	10.8
399.23865	13.0
484.20831	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	484.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10126	5.2
59.01376	100.0
61.98827	22.5
62.23726	5.3
70.81371	10.2
71.01386	7.0
73.02927	6.8
77.83367	5.8
78.68758	5.7
78.76083	6.5
82.95404	32.0
84.95115	8.6
95.10838	5.7
101.02460	9.6
235.70576	6.2
370.38754	5.5
399.23941	8.6
451.94263	7.3
460.67664	6.5
484.20398	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48253	13.9
55.36739	11.3
59.01378	100.0
61.98828	14.8
62.92047	13.1
62.99425	12.7
70.68858	13.6
70.97943	16.0
73.51537	12.6
85.20083	13.7
86.07227	14.3
95.64194	13.1
114.17408	12.9
138.88380	13.5
169.49153	12.3
235.76173	14.2
308.32394	13.1
389.66635	13.7
394.29926	14.1
459.88046	14.5
477.06308	16.7
484.21216	13.7
504.98416	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	485.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35371	0.7
55.80992	0.8
56.59944	0.7
59.01397	1.2
61.98819	1.4
66.88647	0.8
71.01373	1.4
73.28156	0.9
74.89766	0.8
77.54951	0.7
86.95633	0.8
89.02467	0.8
96.96024	4.4
98.21772	1.6
98.95599	2.6
116.92785	0.8
122.13452	0.7
152.50110	0.8
167.24408	0.8
178.99803	1.3
190.02832	0.7
192.00623	13.5
193.01353	2.1
195.23280	0.7
196.24648	0.7
207.02975	3.1
221.98407	2.0
234.01831	1.0
247.96413	12.8
248.97148	2.8
249.98015	1.0
253.97566	1.4
261.97961	1.3
262.95157	3.5
263.95880	5.7
274.98721	1.8
275.95901	1.5
277.97305	1.6
279.95203	1.1
289.97440	54.4
290.98169	4.1
291.95538	1.0
293.96918	2.7
301.97385	1.8
303.98999	1.2
305.97043	7.7
309.96008	1.6
317.96970	2.4
318.97485	1.0
319.98505	1.4
320.99365	5.9
321.96463	2.9
323.00836	1.3
327.07050	0.8
331.98450	1.6
335.97830	2.0
337.95609	1.2
343.98227	0.9
410.01654	3.1
425.04001	100.0
426.04248	3.0
485.17145	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	485.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71458	0.8
54.38361	0.7
58.81475	0.6
59.01379	1.1
69.57375	2.5
71.01401	0.7
85.13444	0.7
94.93086	0.7
96.96001	2.0
100.33858	0.6
113.02476	0.6
146.71706	0.7
164.01065	1.0
188.07069	0.7
192.00629	11.9
193.01411	2.1
207.02966	1.7
219.11729	0.7
221.98441	2.4
247.96388	12.3
248.97115	2.7
249.97910	1.5
261.97998	1.4
262.95074	3.0
263.95834	4.5
274.98715	1.9
275.95798	1.6
276.96655	1.0
277.97525	0.8
279.95291	1.5
289.97440	54.2
290.98001	3.7
291.95419	1.4
293.96942	2.3
301.97586	1.2
302.98145	1.5
305.96942	5.9
309.96420	1.9
317.96973	2.1
318.97610	1.1
319.98419	1.1
320.99176	5.0
321.96429	3.0
323.00684	1.2
331.98538	1.8
335.97931	1.9
410.01785	2.6
425.03995	100.0
426.04321	4.0
485.16464	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	485.07
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03167	1.3
57.03447	15.4
59.01376	11.4
65.00285	0.8
69.17275	4.8
71.01389	4.6
72.99335	0.8
73.02898	0.7
81.03452	2.3
83.01386	5.3
85.02942	1.3
89.02418	1.6
93.03433	0.8
93.84206	0.7
95.01406	1.8
95.05010	3.4
97.02933	1.7
101.02431	2.3
105.03442	4.8
105.07108	1.1
107.05024	1.2
108.02175	4.0
108.05791	1.3
109.02946	8.4
111.04515	1.7
113.02444	3.6
113.06068	1.8
116.92840	1.0
121.02949	3.6
122.03792	0.8
123.00888	2.5
123.04539	1.3
123.08186	1.1
123.64055	0.8
124.01646	3.3
125.02447	100.0
125.06079	5.4
126.02801	1.5
133.02954	1.4
135.04411	1.1
137.02437	9.9
138.03188	2.5
138.06842	1.6
139.03987	2.2
139.07689	5.3
141.40601	0.9
145.06599	0.9
149.02414	2.8
149.06126	1.0
151.00342	1.4
151.03957	2.2
151.07637	10.0
152.01138	7.8
152.08359	3.8
153.01945	10.7
153.03116	1.4
153.05580	1.8
153.09213	3.1
159.04579	0.9
161.02440	43.3
161.04543	1.9
161.09721	1.2
162.03156	1.5
163.00330	3.8
163.07687	1.1
164.01138	2.1
165.01961	5.0
166.02679	1.1
166.99834	1.9
167.03441	4.0
167.07063	1.1
169.01433	1.7
175.03864	0.9
177.01897	4.2
177.05493	4.0
178.99896	1.3
179.03461	2.2
182.02167	4.1
185.02458	1.0
186.10406	1.1
189.01921	1.6
189.05659	1.3
190.99849	7.8
192.00639	22.6
193.01414	50.2
194.01935	2.2
194.99261	1.1
195.02968	26.6
197.04559	7.8
201.05528	2.2
201.12834	5.5
203.10799	1.8
204.11516	6.9
205.01395	2.7
206.02080	0.8
207.02943	9.4
209.00952	1.4
213.01982	0.8
213.98801	1.9
217.98357	1.8
219.06560	2.1
219.13896	11.1
220.00166	0.9
221.00964	5.1
221.11787	0.9
225.03983	1.1
233.00706	2.6
234.01697	1.1
235.02759	1.0
237.04031	1.0
242.98825	0.8
243.06548	1.2
243.13853	1.2
245.11856	3.5
245.97757	3.1
247.02353	1.1
255.05092	4.6
256.00183	0.9
263.12863	39.7
264.13342	1.3
269.04489	3.4
287.02139	1.0
287.05579	4.6
287.13095	3.9
305.06689	6.7
305.13898	2.6
312.04819	2.0
334.03101	1.1
349.05322	3.0
425.04929	6.4
470.04648	59.2
471.04935	3.5
485.06979	43.0
486.06857	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	485.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
65.13978	0.3
71.01361	0.4
78.95896	2.8
79.95739	1.8
83.72855	0.3
96.96008	100.0
96.96899	5.5
111.04488	0.3
125.02485	0.6
137.02490	0.4
163.07671	1.7
179.07002	0.3
184.62836	0.3
207.06622	1.7
225.07654	3.8
233.54463	0.3
263.02359	2.1
280.02515	1.4
281.03403	9.5
294.00665	0.3
295.01419	2.0
305.03384	0.6
305.06720	0.6
323.04614	0.3
387.12909	5.0
392.25140	0.3
425.07672	11.8
470.14310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38291	0.4
57.03447	13.8
64.19999	0.4
69.26301	1.1
69.26711	1.3
81.03465	1.2
82.85377	0.4
82.95400	1.0
83.01384	3.6
87.00915	0.4
95.05028	2.3
105.03461	4.4
109.02974	1.2
123.00871	1.0
125.02442	100.0
126.02760	1.2
133.03001	0.9
137.02443	5.5
138.03236	1.1
139.04024	0.5
149.02457	1.0
153.01823	0.5
153.05540	0.9
161.02438	45.3
162.02931	0.7
165.01932	2.9
166.02699	0.8
173.06120	0.5
175.04018	0.9
177.05557	3.6
182.02209	0.6
183.04535	0.6
197.04539	1.4
201.01784	0.5
201.05608	2.2
203.03477	0.7
213.05536	0.4
219.06599	0.7
225.05521	0.9
227.03488	1.0
229.01256	0.6
243.06570	0.9
251.03465	0.4
269.04501	3.0
282.22592	0.5
287.05600	6.3
300.02853	0.4
319.08127	1.9
347.07599	0.5
434.82919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.0
69.20626	2.2
73.74860	0.4
77.98372	0.4
81.03461	1.3
83.01383	3.0
95.05016	2.1
105.03442	3.8
109.02936	1.0
111.04522	1.0
111.30474	0.5
121.02956	1.7
123.00912	2.1
124.01701	0.6
125.02443	100.0
126.02787	1.6
133.02939	1.5
137.02440	7.4
138.03218	0.8
139.04022	1.6
143.50459	0.4
145.06578	0.7
147.04520	0.5
149.02457	0.9
153.05551	1.0
159.04514	0.4
160.01692	0.4
161.02441	44.6
162.02942	0.9
164.01125	0.6
165.01944	2.3
166.02676	0.5
166.99861	1.5
167.03479	1.8
175.04015	0.9
177.05582	3.9
179.03490	1.0
182.02211	4.3
192.55064	0.4
197.04555	9.9
197.06308	0.9
201.05513	2.3
201.33267	0.4
203.03578	0.4
204.21565	0.4
219.06628	1.9
225.05597	0.9
227.03445	0.7
243.06593	1.3
245.04706	0.6
249.06184	0.4
256.57050	0.5
261.07617	0.6
269.04578	2.7
287.05597	5.0
305.06644	8.2
305.09955	0.7
319.08298	1.0
493.91934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	14.7
59.01372	15.5
61.30009	1.6
61.98814	5.1
71.01366	3.2
71.45819	1.4
71.72407	1.4
73.02942	3.6
81.03443	2.8
83.01372	5.0
84.95094	4.3
85.02956	3.9
87.00833	2.6
90.41467	1.4
93.03426	1.7
93.71216	1.4
95.05048	2.3
96.96011	2.6
101.02454	3.7
105.03436	2.0
108.02168	1.5
109.02940	1.6
124.01622	2.5
125.02442	100.0
137.02423	18.6
152.01180	4.2
153.09242	3.5
161.02441	41.9
167.03448	4.2
177.05528	2.0
197.08174	3.5
201.05673	1.7
201.61755	1.6
221.11819	1.8
237.11317	8.6
237.14946	5.9
261.14841	5.0
263.12881	9.6
269.04620	8.2
277.14438	10.5
279.12439	14.4
281.06418	1.6
281.13943	2.0
285.11273	2.5
287.05695	12.4
303.15869	1.7
305.06717	3.9
305.13892	5.2
323.15051	12.5
339.14294	1.8
347.11044	2.5
347.14920	2.2
365.15982	3.1
381.18961	6.1
399.20132	4.9
425.18021	6.8
441.21332	2.7
447.09247	4.5
467.19086	3.1
485.20126	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	485.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
57.03445	1.2
59.01377	44.2
62.56599	0.9
71.01006	1.8
71.01379	22.5
72.99283	2.1
73.02940	4.0
82.95415	42.3
83.01389	6.8
85.02944	6.1
87.00874	2.6
89.02438	16.5
95.01374	2.2
96.96004	12.0
97.02950	1.3
98.95575	1.9
99.00862	2.0
99.92542	1.0
101.02437	26.9
109.02911	1.1
111.00864	1.3
113.02445	8.2
116.92843	1.3
117.21101	1.0
119.03490	6.8
125.02457	2.8
131.03473	1.1
137.02446	1.3
138.24805	1.0
143.03444	1.4
145.07690	3.4
160.06387	10.9
161.04510	2.1
161.07196	65.9
162.07491	1.1
169.01413	2.8
175.08757	27.4
179.05513	2.2
182.97426	1.0
187.08775	5.2
189.06680	88.3
190.06992	1.9
201.10350	3.0
203.08253	23.0
203.11876	5.6
217.09760	1.0
221.06712	1.9
229.09814	8.1
231.07800	1.3
241.09853	1.5
277.11932	1.5
305.06793	2.6
305.11377	24.1
323.12360	3.0
467.16345	1.5
485.17767	100.0
486.18213	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	485.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
57.03451	4.9
59.01376	34.5
61.98815	1.5
63.99566	0.7
68.99562	5.1
69.03458	0.9
69.54740	3.6
71.01374	13.0
71.05008	1.6
73.02939	4.2
81.03465	0.8
82.95361	0.8
83.01381	6.1
84.95103	1.6
85.02943	7.7
86.00076	3.6
87.00845	1.3
89.02442	2.6
89.79312	0.9
95.01362	1.0
95.04986	1.0
95.70264	0.8
97.02943	2.2
99.00870	2.0
101.02436	8.0
105.03450	1.1
111.00887	3.2
112.01674	1.0
112.98557	5.8
112.99232	0.8
113.02437	4.0
121.02940	0.9
123.00867	2.1
123.04520	1.1
124.01624	2.9
125.02438	27.4
136.05298	1.0
137.02434	2.4
137.06026	1.1
139.00462	0.8
161.02444	10.2
165.01891	1.0
167.03435	1.1
177.05528	1.3
213.03935	0.8
219.13834	3.1
221.11870	0.9
227.03662	1.3
229.05003	1.3
229.90623	0.8
235.13353	1.9
237.14935	100.0
238.15176	3.8
249.14919	2.4
261.14899	2.4
263.87674	0.9
269.04556	1.9
277.14240	0.8
277.82944	0.9
279.15955	3.2
285.04028	11.6
287.05396	1.9
289.14352	0.8
301.03622	1.1
307.15387	1.6
323.14911	4.0
381.19171	55.3
382.19315	2.7
386.50385	0.8
399.20209	81.4
400.20490	3.3
441.21246	50.7
442.21500	2.8
447.09302	2.6
485.12708	0.9
485.19940	4.5
485.27036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2025
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
57.03445	13.7
59.01376	6.8
64.62672	0.8
71.01377	2.2
72.99261	0.9
73.02920	1.5
74.60522	0.8
81.03446	2.0
83.01395	4.5
85.02938	1.4
85.57256	0.7
88.15639	0.6
93.03469	1.1
95.01361	0.9
95.05037	3.0
97.02950	2.3
101.02431	1.4
105.03468	4.6
105.07126	1.1
107.01451	0.9
108.02165	2.1
108.05798	1.4
109.02949	3.6
111.04532	1.8
113.02460	1.7
113.06058	0.9
121.02949	2.6
123.00862	3.2
123.04495	1.0
123.08139	1.0
124.01688	0.8
125.02444	100.0
125.06070	5.6
126.02786	1.6
133.02962	1.9
135.08218	0.8
136.05377	1.1
137.02435	5.6
137.06148	1.0
138.03232	0.9
138.06822	1.3
139.04016	1.8
139.07626	5.8
149.02454	1.8
151.00392	0.9
151.04002	1.7
151.07623	8.6
152.01173	1.9
152.04802	0.9
152.08418	2.3
153.01942	3.2
153.05569	1.4
153.09210	4.0
161.02441	37.9
161.09683	0.8
162.03041	0.7
163.00365	1.4
163.07620	1.0
164.01105	1.4
165.01933	3.4
166.02724	0.8
166.99829	1.3
167.03513	2.1
168.66402	0.6
175.03894	0.9
177.01978	1.2
177.05583	4.4
178.89426	0.8
179.03484	1.5
182.02167	3.8
189.09216	0.8
190.99837	1.9
192.00571	6.6
193.01408	14.3
195.02971	7.6
197.04536	7.1
197.06161	0.9
201.05551	1.7
201.12846	4.3
203.10826	1.1
204.11516	5.1
205.01547	0.9
205.12146	0.8
207.02974	2.4
219.06630	1.5
219.13881	8.8
221.00960	1.5
227.03416	0.7
228.11687	0.9
229.01353	0.8
235.98003	0.8
243.06741	1.0
243.13892	2.1
245.11848	2.8
245.97870	1.0
255.05099	2.0
263.12866	34.2
264.13208	1.3
269.04608	2.9
287.05579	5.6
287.12891	2.9
305.06580	7.2
305.13855	3.7
336.70761	0.7
347.07428	0.7
415.54239	0.9
425.04956	2.8
425.17911	1.1
447.02322	0.8
469.97949	1.0
470.04669	18.0
471.05365	1.5
485.06958	14.3
485.19312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89531	1.8
55.01871	2.6
57.03432	4.4
59.01112	2.3
59.01379	29.7
67.50354	1.4
69.03416	1.7
69.20879	3.6
69.21284	6.1
71.01381	13.0
71.05043	1.5
73.02935	5.5
83.01376	4.2
85.02935	6.5
86.00098	3.1
89.02435	2.3
97.02895	2.2
99.00863	1.6
101.02422	8.5
109.02943	1.6
113.02416	3.1
120.08385	1.5
123.00868	1.6
124.01678	2.7
125.02447	19.2
127.57288	1.5
137.02376	3.3
161.02396	6.8
164.04782	3.5
179.07063	2.3
210.36157	1.5
218.93599	1.7
219.13763	2.7
237.14941	100.0
238.15317	3.3
249.14853	2.6
255.03090	1.6
261.14905	3.5
269.04547	1.6
271.02542	2.1
279.15985	3.0
285.04034	5.6
300.02826	7.4
301.03351	5.8
307.15317	2.8
323.14807	4.1
370.41962	1.5
381.19159	57.6
382.19717	3.3
399.20212	82.6
400.20602	3.5
441.21271	54.8
442.21423	2.5
447.09229	12.9
449.17627	1.6
485.19739	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	485.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48359	3.5
58.93157	3.2
59.01378	100.0
65.62285	3.5
66.96982	3.2
69.23766	10.9
69.24189	9.2
71.01383	17.0
72.99327	4.1
73.02938	13.6
75.00871	8.2
75.94487	3.3
81.33564	3.4
83.01373	4.9
85.02968	16.2
87.00901	3.8
89.02434	10.5
93.03468	9.0
95.01381	3.6
96.96018	4.0
99.00906	8.4
101.02442	13.6
101.06071	32.0
113.02447	22.1
121.77068	3.1
129.01909	3.5
137.02454	25.8
141.09578	3.5
151.04028	16.7
192.00652	5.2
261.30319	4.2
271.02472	6.2
300.02570	10.5
447.09283	18.1
485.16193	31.8
485.22565	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	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
59.01380	100.0
71.01386	19.5
73.02956	9.4
75.00874	2.3
83.01393	4.7
85.02953	9.9
89.02452	1.7
99.00861	3.5
101.02448	19.6
113.02426	7.6
118.14566	1.3
125.02450	1.7
159.02960	1.9
161.04489	6.1
219.12590	1.4
219.17697	1.3
300.02707	2.7
301.03342	1.5
381.22800	7.5
399.23810	41.9
441.24927	12.6
447.09305	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02729	1.0
52.81068	0.9
54.25919	0.9
55.72181	0.8
56.03860	0.9
59.01377	100.0
59.86108	0.9
61.98816	0.9
65.03633	0.9
69.17606	1.5
69.18006	3.5
69.49493	1.0
71.01377	5.8
73.02934	3.0
83.01385	1.7
85.02946	3.5
88.19543	1.0
89.02422	1.7
95.01374	0.9
101.02440	3.9
113.02435	2.2
123.57320	1.0
139.01553	0.8
161.04478	1.6
278.50363	1.0
301.03210	1.0
381.22656	3.0
399.23956	5.3
417.54752	0.9
447.09534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98827	1.6
70.98574	2.4
71.01385	9.8
73.02941	3.8
78.60791	1.0
83.01369	2.8
85.02927	4.1
89.02450	3.9
99.00887	1.2
101.02421	7.2
101.59811	1.4
103.92997	1.1
113.02434	4.5
125.02419	1.4
161.04550	1.5
179.05424	1.3
201.11330	1.7
209.11865	2.3
212.85478	1.4
237.18538	4.0
255.03030	1.5
271.02609	2.4
300.02692	4.9
301.03436	4.4
302.62476	1.3
381.22629	2.5
399.24091	5.8
441.25134	2.4
447.09213	8.8
485.24280	4.6
485.31201	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	485.2542
Annotation	Eucalyptal B
Peak:m/z	Relative Intensity
50.98031	0.5
61.98819	0.6
67.01886	0.7
70.47602	1.0
81.03417	0.7
85.00408	0.8
89.76688	0.5
93.03446	0.5
95.01358	2.4
96.02158	0.6
105.97346	0.7
108.02115	1.0
108.06962	0.5
109.02934	2.5
110.00098	1.2
111.00873	1.2
114.50340	0.5
121.02895	0.9
122.03721	1.7
123.00882	21.0
123.04466	1.1
124.01679	6.6
125.02454	1.0
129.60109	0.5
136.01627	0.7
136.05284	0.9
137.02435	15.8
139.00325	1.9
151.00322	1.5
151.04001	1.2
152.01102	1.7
165.01912	9.9
165.05566	0.7
175.04013	0.6
177.05553	0.9
179.07126	1.9
193.08641	0.8
201.98470	0.5
222.81886	0.7
277.17969	0.7
282.44434	0.5
291.19470	0.8
293.17276	0.6
300.02585	0.6
305.17767	0.7
319.19141	0.7
365.24640	1.2
373.23837	0.6
379.19180	0.6
381.24329	0.9
383.22031	0.9
385.27335	0.7
387.25192	1.1
409.23846	3.2
413.26968	0.6
425.23343	1.4
435.21585	2.0
439.24789	2.2
443.24597	0.9
453.22803	6.3
457.25916	9.5
467.18890	1.9
467.24365	1.4
470.22641	0.8
485.25354	100.0
486.25723	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2539
Annotation	Flavotoxin A
Peak:m/z	Relative Intensity
63.09161	0.2
69.08700	1.6
69.09106	0.6
74.60762	0.2
88.27275	0.2
95.95824	0.2
103.09113	0.3
117.85024	0.2
123.01031	0.4
137.02644	0.4
159.04701	1.0
161.02592	0.6
171.04668	0.3
173.02560	0.4
174.03336	0.4
177.05698	0.5
185.02631	0.5
185.06291	0.3
187.04004	3.0
188.04892	0.3
198.03339	0.4
199.04172	0.6
200.04874	0.5
201.01915	2.8
201.05746	0.6
211.04118	0.6
213.02036	0.3
214.02705	3.0
215.03477	13.3
216.04228	2.1
228.04500	0.5
229.05035	2.0
275.16330	0.3
285.11411	0.4
286.12219	0.7
293.17630	0.4
299.12723	1.3
300.13666	1.9
314.15292	0.7
327.15973	1.7
328.13156	0.4
328.16733	1.8
330.14954	0.3
396.26910	0.3
397.27493	2.1
411.25400	0.6
412.26138	4.3
413.26938	100.0
414.27255	3.9
441.26447	3.2
485.25320	43.5
486.25513	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2543
Annotation	Withametelin J
Peak:m/z	Relative Intensity
50.19307	1.0
57.66273	1.1
61.98799	1.5
67.01865	1.4
70.98315	1.5
95.01340	3.7
99.47449	1.2
108.02134	2.0
109.02920	2.1
111.00867	1.4
122.03695	4.2
123.00884	24.2
123.04492	2.8
124.01620	5.1
126.88009	1.1
131.39510	1.0
137.01462	1.6
137.02435	17.2
138.03123	3.6
139.00357	2.9
143.45555	1.1
151.00229	1.3
151.03914	3.4
152.01071	4.2
164.33669	1.2
165.01913	16.5
165.05530	2.1
179.07086	2.1
235.13135	1.4
425.26813	3.3
443.27817	3.0
453.22598	5.7
457.25592	7.2
470.26392	3.9
485.25085	100.0
486.25378	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
63.96241	6.9
70.57768	1.0
84.62792	0.7
96.96004	1.8
104.30951	0.7
110.07531	0.8
117.81873	0.7
122.03754	4.8
122.16302	0.7
123.04560	1.1
124.01637	0.9
136.05310	0.6
137.02478	1.5
137.06068	2.7
138.03212	1.2
147.04865	9.4
151.03995	1.9
173.02434	0.9
177.05531	1.2
187.04042	3.8
191.72810	0.7
201.01849	3.3
201.05608	1.1
205.00079	0.6
214.02679	4.8
215.03479	16.7
215.06799	0.9
216.04137	2.2
229.05075	2.7
237.14894	1.4
245.00900	0.8
271.09750	0.7
276.68436	0.7
293.17383	1.3
299.12839	2.7
299.16187	1.3
300.13620	1.7
328.16696	1.6
333.20718	0.8
347.25693	1.3
397.27521	1.6
408.16168	0.8
412.26227	5.3
413.26962	100.0
414.27368	4.4
441.26407	2.7
470.25897	1.2
485.25085	53.4
486.25803	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23074	0.5
69.43053	1.2
69.43453	1.6
71.40943	0.6
74.48295	0.5
81.71850	0.5
95.01343	0.8
96.02149	1.0
109.02966	0.9
110.00085	1.6
110.03707	0.5
111.00853	0.7
121.02897	0.6
122.03693	2.2
123.00895	4.9
123.04552	4.8
124.01645	6.2
125.02428	0.8
134.03781	0.7
135.04514	1.1
136.01688	0.6
137.02428	5.8
138.03221	7.8
139.03966	2.3
149.02477	0.6
149.06059	2.1
150.03192	1.0
151.04012	7.2
152.01083	0.6
152.04768	1.0
159.04463	0.7
163.03972	2.1
163.07675	0.7
163.11203	1.0
164.04832	1.3
165.05501	3.9
165.07860	0.8
167.14381	1.7
169.37466	0.5
173.02470	0.7
173.06096	0.8
176.01060	0.7
177.05525	3.1
187.03990	1.0
188.04761	0.8
189.05492	1.0
191.07166	4.6
191.14453	0.8
201.05524	0.7
219.13878	1.6
221.11751	0.6
235.13475	0.8
237.14952	100.0
238.15300	2.4
245.15529	0.8
247.13437	6.4
249.15076	0.6
261.14957	1.3
263.16470	1.6
265.14450	1.3
273.14914	2.2
275.16281	0.6
275.90436	0.5
289.14526	1.0
289.21588	0.8
317.21353	2.2
331.22797	0.9
377.44171	0.6
385.31354	0.9
397.31067	0.6
413.30695	2.0
426.27612	0.9
440.03592	0.6
441.30246	1.3
442.27255	1.7
452.25623	4.2
453.26364	1.8
457.29764	1.9
467.27808	1.1
470.26697	17.2
471.26910	1.0
485.29160	91.3
486.29498	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	485.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74633	0.7
59.92121	0.7
66.85218	0.8
69.23486	4.1
90.82866	0.7
109.02929	2.3
110.03728	3.0
117.40519	0.7
122.48748	0.6
123.00908	4.9
123.04503	2.4
124.01641	2.0
125.02447	1.2
137.01421	1.4
137.02441	21.2
138.03267	4.5
151.03989	9.3
151.19543	0.7
166.02727	2.0
179.03497	3.8
193.08730	0.8
237.14960	10.8
279.09903	0.7
305.21262	3.4
319.19193	0.9
328.39423	0.7
333.20703	4.7
371.98102	0.6
409.76871	0.6
439.28162	1.1
457.29413	7.6
467.28058	1.6
470.27319	0.7
485.29053	100.0
486.29337	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	485.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58758	0.4
57.03640	0.4
68.99834	0.4
71.15839	0.4
75.86591	0.4
77.67128	0.4
78.91865	0.4
83.75794	0.4
89.13935	0.3
90.21128	0.4
91.21593	0.3
95.01402	0.3
96.02176	0.9
109.02898	0.6
110.00083	1.6
111.00909	0.5
122.03726	1.0
123.00867	3.4
123.04526	5.6
124.01654	2.9
136.01691	0.4
137.02451	2.4
138.03188	2.0
148.01637	0.4
148.05232	0.4
150.03253	0.4
151.04007	6.1
152.04747	1.4
162.03191	0.6
165.05563	4.6
167.14394	0.8
174.03189	0.6
175.07727	0.3
176.01065	0.6
188.04800	0.7
189.01625	0.4
191.14383	0.4
201.05562	0.5
207.10187	0.7
219.13867	1.7
235.13341	0.5
237.14935	100.0
238.15302	3.1
245.15372	0.4
247.13359	4.7
248.13786	0.5
261.15186	0.4
263.16498	1.0
272.17593	0.4
273.14935	1.6
289.14474	1.0
300.17218	0.5
411.23608	0.4
413.30664	1.8
427.28506	0.6
441.30219	1.7
453.30087	0.8
455.27933	2.2
457.29553	2.3
470.30304	27.0
471.30716	1.3
485.28885	24.6
485.33200	13.2
486.29001	1.4
486.34134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23225	0.5
79.93430	0.5
95.01380	0.7
95.60899	0.5
96.02158	0.5
108.02180	9.4
109.02983	2.9
111.70776	0.4
121.02970	0.9
122.03737	1.7
123.00883	1.8
124.01662	15.0
125.02454	0.7
134.03729	0.9
135.04527	2.2
136.01581	0.8
136.05330	0.5
137.02437	3.7
138.03217	2.5
149.02472	0.6
150.03229	2.6
151.04005	2.0
159.04509	0.5
163.04028	1.9
163.07617	0.5
165.05573	1.4
177.05536	3.0
191.07042	0.9
205.08846	0.6
208.39368	0.5
237.14894	0.8
303.19556	0.7
385.23776	2.4
409.23706	0.8
422.20828	1.0
423.21381	2.9
427.24744	1.4
429.41534	0.5
429.49246	0.5
434.97958	0.5
437.23337	11.3
438.23560	1.0
440.22141	3.1
452.05463	0.5
455.24374	49.4
456.24692	2.6
470.26694	39.2
471.27151	2.7
485.29089	100.0
486.29361	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	485.2904
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
61.98833	1.2
65.22373	0.6
69.15231	4.5
81.03422	0.7
85.87611	0.6
95.01383	1.5
96.96022	1.1
97.15920	0.7
108.02144	1.4
109.02950	18.4
110.46966	0.6
121.02927	1.3
122.03695	1.5
123.00892	1.6
123.04566	0.8
124.01652	2.9
125.02431	3.6
129.05585	0.7
137.01430	1.2
137.02441	15.5
138.03212	2.5
149.06081	3.2
150.03217	1.1
151.03996	14.0
164.83604	3.4
165.05602	0.9
179.07133	1.7
189.34488	0.7
207.10207	1.6
215.69498	0.6
216.78133	0.8
261.14993	1.9
275.16489	1.1
316.59491	0.7
330.87189	0.8
331.22675	1.1
332.23404	1.9
393.57895	0.8
395.22305	1.0
409.27451	0.9
412.22580	1.4
426.27853	4.2
427.24719	2.1
428.25491	0.8
435.25491	1.1
452.25818	4.1
453.26392	1.4
467.19138	1.8
467.28265	1.5
470.26740	23.8
471.27362	1.4
485.29065	100.0
486.29169	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	485.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	1.1
71.47020	1.0
95.01393	4.2
96.02173	1.7
99.00863	0.8
109.02930	2.9
110.00082	2.5
111.00861	1.0
122.03719	2.1
122.99982	1.5
123.00881	29.5
123.04470	1.7
124.01637	6.0
136.01596	1.0
137.02423	15.1
138.03178	3.3
139.03967	0.9
150.03226	1.3
151.00346	2.1
151.03989	3.6
152.01097	1.6
165.01915	16.3
165.05536	2.9
171.57207	0.8
179.03398	1.0
179.07138	2.9
193.08678	1.4
194.12036	0.7
204.04379	0.7
237.14943	52.0
238.15334	1.3
247.13377	2.6
249.14812	1.0
263.16599	1.0
270.67847	0.9
272.85629	0.9
277.17978	1.0
291.19492	1.1
307.19055	1.9
358.81537	0.8
385.31058	1.3
413.31042	1.4
427.24884	0.9
453.26672	3.9
455.24237	3.0
457.29941	5.0
470.26123	5.7
471.27319	2.6
485.29034	100.0
486.09906	1.5
486.29669	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	485.3268
Annotation	Acerinol
Peak:m/z	Relative Intensity
60.00383	0.2
70.70132	0.2
81.03436	0.3
83.19152	0.1
85.88956	0.2
95.01376	0.2
96.02117	0.3
108.02186	0.5
109.02939	0.5
109.33352	0.2
110.00072	0.5
110.03724	0.5
111.00891	0.3
122.03749	2.5
123.00845	1.0
123.04526	17.5
124.01670	1.7
124.05192	0.3
125.02415	0.3
135.04500	0.3
136.05298	0.7
137.02454	2.9
137.06094	1.3
138.03242	5.5
139.03986	0.5
147.04504	0.4
148.05269	0.4
149.06044	0.6
150.03204	0.5
151.04007	16.7
152.04791	3.4
164.04785	1.0
165.05568	15.6
166.02724	0.5
166.06039	0.4
175.07597	0.7
178.06346	0.3
179.07166	0.7
179.10739	0.4
191.84032	0.2
193.08684	0.4
207.10214	0.8
219.13863	0.5
221.11771	0.6
235.13353	0.4
237.14944	34.4
238.15231	0.9
247.13373	2.0
247.17178	0.2
249.14983	0.2
263.16556	0.8
273.14880	0.7
277.18066	0.2
289.14334	0.4
291.19897	0.3
306.22098	0.4
319.22733	0.5
355.26321	0.2
371.25928	0.2
383.29593	0.4
413.30594	0.6
427.28406	1.1
437.26852	1.0
438.27441	0.2
441.29938	1.0
453.30124	3.6
455.27969	8.0
456.28253	0.3
457.29568	0.5
469.29565	0.5
470.30325	89.1
471.30646	5.1
485.32941	100.0
486.33359	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	485.3269
Annotation	Acerinol
Peak:m/z	Relative Intensity
95.01389	0.7
100.86134	0.5
108.02160	2.0
108.03981	0.5
109.02957	13.6
110.00065	0.7
110.03743	1.1
116.23004	0.5
122.03749	1.0
123.00884	3.2
123.04492	1.5
124.01646	4.3
125.02444	0.7
137.02437	16.9
137.03517	1.0
138.03238	3.6
150.03249	0.7
151.04004	17.1
152.01109	0.8
152.04874	0.5
159.68260	0.5
161.06035	0.7
165.05577	1.1
175.04013	0.5
193.08711	1.1
207.10240	1.3
225.40491	0.4
235.13239	0.8
237.14948	25.4
237.99753	0.5
247.13409	1.3
263.16690	0.7
273.14835	0.6
289.14337	0.5
305.21014	0.6
333.24146	0.7
385.27271	0.6
413.30795	0.7
437.27090	0.8
441.30441	0.7
453.29980	2.3
455.27942	3.5
457.29852	1.0
470.30331	63.6
471.30664	2.8
485.32947	100.0
486.33301	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	485.3272
Annotation	Acerinol
Peak:m/z	Relative Intensity
61.98825	0.9
71.47029	0.9
78.95937	0.8
88.04049	7.6
95.01384	0.8
108.02119	0.7
118.09069	0.6
122.03761	1.6
123.00912	1.1
123.04517	19.0
124.01670	1.8
125.02433	1.0
136.05348	0.9
137.02473	3.6
137.06065	1.4
138.03230	2.8
139.03896	0.6
141.98599	0.6
147.04593	0.8
148.05243	0.6
149.06137	0.7
151.04002	20.0
152.04771	2.4
152.99605	0.9
160.11673	0.6
165.05556	15.7
179.07162	0.9
193.08737	1.3
207.10431	1.1
223.59534	0.6
265.14761	0.9
274.20206	0.7
293.17700	2.2
310.01114	0.6
320.23746	1.0
337.21686	15.3
356.97470	0.7
359.26273	0.9
384.64352	0.8
410.02374	0.7
413.26810	3.5
453.30203	4.8
455.28238	1.6
470.30368	59.8
471.30984	3.0
485.32834	100.0
486.26785	2.9
486.33163	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	486.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27011	1.2
71.01399	1.4
73.78355	1.2
93.51512	1.1
93.52133	1.0
96.96003	11.7
98.96405	1.0
104.36977	1.2
112.28533	1.3
116.92848	3.5
123.31328	1.3
144.04546	100.0
188.03531	48.4
203.33499	1.6
279.59595	1.2
289.97263	1.6
290.97690	2.3
297.00552	1.6
382.04956	1.7
426.04376	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	486.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.5
69.38866	7.2
69.80620	1.7
71.01064	2.2
71.01384	25.8
85.02934	3.5
89.02441	38.5
96.35529	1.6
101.02454	16.5
113.02453	11.4
119.03504	12.0
125.02425	2.1
130.05106	2.8
131.03490	2.9
142.05069	3.7
144.03015	5.9
144.06657	78.5
145.01430	4.7
161.04514	2.9
179.05592	15.8
191.01894	1.8
199.66304	1.7
216.43219	2.1
341.10855	100.0
342.11090	3.4
436.21857	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	486.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62831	2.3
55.01864	6.0
57.03444	5.3
58.14591	2.3
59.01119	3.5
59.01380	55.7
61.98812	2.4
69.77656	5.7
69.77953	3.2
71.01378	67.3
73.02942	21.2
83.01384	12.4
85.02950	30.1
85.83076	2.4
87.00837	3.7
89.02427	11.0
99.00839	7.1
101.02444	44.1
113.02448	29.7
122.31641	2.5
123.16269	2.7
125.02435	21.2
126.02758	4.4
131.03482	3.9
136.68779	2.4
137.02530	3.7
143.03506	4.4
147.07477	2.7
159.02902	4.1
161.02490	6.1
161.04562	33.0
172.67714	2.5
190.85864	2.5
223.13208	3.3
262.19037	5.6
263.16290	4.8
264.16806	11.8
264.75421	2.7
311.14993	100.0
312.15515	3.3
324.18823	6.0
443.19214	99.8
486.18826	4.2
486.24484	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	486.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48175	0.4
61.98835	0.4
64.15806	0.4
64.24202	0.4
69.64968	1.4
88.04033	54.8
98.22546	0.9
123.04518	1.7
134.28432	0.4
137.02394	1.0
138.02864	0.5
147.08147	1.6
149.09692	1.6
151.04059	1.9
153.89537	0.4
161.09695	1.0
163.11237	2.3
165.05551	1.1
166.05878	0.7
178.06470	0.4
179.10818	0.5
187.11243	2.7
196.96640	0.4
203.10847	0.5
206.88744	0.4
279.13904	0.8
280.14655	1.2
283.84708	0.4
307.17227	0.5
309.22159	2.4
309.55469	0.4
321.18353	0.4
322.19156	0.5
337.21695	100.0
338.21982	4.9
382.27499	0.5
414.26953	0.7
471.30688	6.0
485.32465	0.6
486.26880	15.6
486.33075	6.6
487.27054	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	487.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60574	0.6
56.49123	0.7
57.03443	10.3
59.01376	22.4
61.98822	2.3
66.69775	0.6
69.13411	0.6
69.25120	3.1
71.01374	3.5
72.99297	0.7
73.02942	2.8
74.99090	3.7
81.03459	1.6
83.01395	3.9
85.02915	1.0
88.98820	0.8
89.02451	2.0
93.03454	1.1
95.01351	1.0
95.05033	1.2
96.96024	4.0
97.02982	1.0
99.00857	0.7
100.27262	0.7
101.02420	3.2
105.03459	3.0
108.02194	0.6
109.02930	1.8
111.04469	1.2
112.76440	0.8
113.02431	2.1
116.04910	0.6
117.03421	1.1
119.03496	0.8
119.05018	10.5
123.00858	0.8
123.04514	1.1
125.02442	100.0
126.02776	1.8
133.02928	0.9
135.04539	4.9
136.99129	2.8
137.02432	8.9
139.00459	0.6
139.04018	1.9
145.02951	3.3
149.02412	1.0
151.03928	0.7
153.01900	0.9
155.83875	0.7
161.02441	34.5
161.04588	1.7
162.02962	2.0
163.03999	20.3
164.01221	0.8
164.04434	0.6
165.01926	2.7
167.03497	1.6
167.98903	1.0
169.01376	0.8
175.03964	0.7
176.43980	0.6
177.01923	0.8
177.05595	5.9
179.03571	1.3
179.07140	1.5
183.04518	0.9
187.04063	0.7
190.02682	0.8
194.05797	1.8
201.05557	1.9
219.06595	1.9
237.59402	0.7
238.04723	1.0
239.05646	1.8
253.07156	3.4
259.04175	1.2
265.14508	1.6
268.09500	2.4
269.04547	3.4
269.08081	1.6
273.02997	1.0
283.11929	4.8
283.14700	0.9
287.05582	24.5
288.05930	0.7
303.03934	0.7
305.06653	14.4
305.73831	0.6
385.25351	0.7
449.09885	3.0
451.10373	5.0
487.21622	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	487.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01179	0.4
57.03445	12.2
59.01376	6.2
61.98823	0.8
66.69778	0.5
69.43486	1.8
71.01418	0.8
81.03448	1.2
82.95425	1.6
83.01390	2.9
85.02967	0.5
87.00896	0.6
89.02464	1.2
95.01410	0.5
95.05019	1.8
98.22683	0.5
101.02410	0.7
105.03461	4.7
109.02945	0.5
121.02963	1.6
121.26898	0.4
123.00870	0.7
124.01668	1.0
125.02447	100.0
126.02815	1.5
133.02960	1.0
137.02443	12.5
139.04045	0.5
149.02406	3.8
151.04062	0.8
155.10783	10.8
161.02441	43.6
162.02940	0.9
169.06528	0.5
175.03920	0.6
177.05580	3.3
183.04480	0.7
193.81050	0.5
199.03979	0.7
199.09749	17.4
200.10165	0.7
201.01933	0.8
201.05579	1.6
213.05481	0.6
217.05055	0.6
219.06593	1.1
223.13504	0.8
225.05612	1.0
227.03491	1.2
229.01381	1.6
243.06519	1.5
265.14404	0.5
269.04532	9.9
287.05612	12.5
305.06729	2.0
307.15393	0.8
349.12967	1.2
487.16031	1.4
487.21838	0.9
487.31378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53551	0.7
57.03460	3.7
59.01377	100.0
61.71890	0.8
61.98826	1.0
65.03947	0.8
65.24615	0.7
67.01889	1.0
69.03465	1.0
71.01377	8.9
73.02953	6.0
74.99102	1.5
81.03452	1.2
83.01404	2.2
85.02951	3.8
89.02441	3.8
94.01568	0.7
95.01396	0.8
95.28185	0.7
96.96034	2.2
97.02955	1.0
99.04526	1.8
101.02441	6.7
107.01396	2.1
107.05049	2.0
109.02979	4.4
113.02437	5.7
116.92860	1.9
119.03510	1.6
121.02986	0.9
123.04509	1.0
124.01659	4.9
125.02444	46.0
125.06123	0.8
136.99144	1.5
137.02463	7.8
138.03394	0.8
138.06874	2.1
139.04024	2.8
139.07687	1.1
151.03998	13.0
151.07678	2.4
152.08461	6.5
153.09204	17.1
153.10440	0.9
161.04582	2.2
164.01195	3.1
165.01996	2.2
167.03481	1.6
169.01414	16.5
175.04167	1.1
176.01178	2.9
177.01926	4.0
177.05473	1.0
179.03528	0.8
179.05620	0.7
179.07181	0.8
179.10802	1.3
180.31026	0.7
191.03554	2.6
192.04233	1.0
195.02997	3.7
203.05602	1.1
205.05075	0.7
205.12317	7.0
217.05252	0.8
219.10358	1.1
219.13860	1.1
221.11884	3.3
223.13341	4.2
263.09329	2.8
265.14499	1.4
274.04935	1.0
281.10532	1.4
281.13449	0.8
289.07236	3.0
303.04993	0.8
307.15390	0.9
317.06671	15.9
335.07748	20.1
336.08121	1.1
367.17599	21.4
368.18066	0.9
385.18661	3.3
415.23392	1.0
427.19708	10.9
449.07458	2.2
451.25693	2.1
487.08841	1.2
487.16907	1.5
487.22693	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
59.01381	74.4
61.98853	2.3
71.01378	28.3
73.02950	42.1
82.95415	70.5
83.01382	9.8
85.02949	6.5
87.00865	2.8
89.02441	7.6
95.01363	2.6
101.02441	27.8
112.44252	1.9
113.02445	9.1
119.03511	2.6
125.02399	2.3
128.95067	2.0
148.24365	2.1
153.00281	2.1
161.04561	2.2
205.01674	2.1
221.15509	17.4
278.42041	2.1
383.20682	9.2
401.21750	27.7
443.22830	100.0
444.23547	3.6
487.21127	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	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65083	0.8
55.01875	1.5
57.03433	0.7
57.28231	0.6
58.00600	1.4
59.01377	88.7
67.01897	0.8
69.03455	7.6
70.28878	0.8
70.29200	1.0
71.01379	83.8
72.01683	0.7
72.99309	2.4
73.02950	12.6
73.03353	0.8
75.00886	3.8
81.03459	4.8
83.01389	5.3
85.02949	9.7
87.00871	1.7
89.02443	100.0
95.01382	1.5
97.02947	15.4
99.00883	19.4
99.04504	2.1
101.02442	16.9
109.02963	0.7
111.00887	2.1
113.02454	9.0
115.04009	8.9
119.03456	2.0
122.03741	16.8
125.02448	50.4
126.02774	1.3
127.03982	1.2
131.03497	10.0
135.04533	1.6
136.05304	1.4
143.03508	3.4
149.04555	16.7
149.05841	1.3
161.04565	4.1
173.04520	0.7
178.09975	14.6
191.05600	11.8
192.58701	0.7
193.12325	42.2
194.12703	1.4
215.05464	0.8
233.06647	44.7
293.08786	48.9
294.09149	0.9
432.79135	0.7
512.36597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65599	0.6
52.99948	0.6
55.77708	0.6
59.01376	100.0
70.67043	0.7
71.01397	0.9
98.14240	0.5
98.22515	0.7
101.02427	0.6
124.46547	0.6
170.00322	0.5
176.02382	0.5
193.12419	1.3
200.34886	0.6
213.66371	0.5
245.04407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
59.01373	100.0
60.53446	0.7
61.98831	1.9
69.25320	2.5
69.25731	1.7
71.01373	3.6
73.02948	1.5
100.81564	0.9
101.02435	1.7
113.06066	2.1
125.02377	0.8
125.75738	0.8
137.09743	1.0
153.09177	4.4
163.11214	1.0
165.09187	5.9
187.11269	1.3
193.12360	0.7
203.05646	1.6
205.12241	4.3
223.13361	36.6
225.41089	1.0
407.71481	1.0
467.55078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.1
59.01376	100.0
61.98810	3.0
68.63741	1.1
69.03423	1.6
69.20817	4.7
71.01018	1.2
71.01379	18.1
72.99292	1.1
73.02941	13.6
73.20007	0.9
74.46104	0.8
74.99081	1.3
80.91679	1.5
81.03429	1.8
83.01376	4.1
83.05006	1.1
85.02946	7.5
85.29996	0.9
85.53717	0.9
87.00845	2.0
87.04481	1.3
89.02435	8.5
90.78718	1.0
93.03453	1.1
95.01386	1.8
95.05036	1.5
96.95997	4.1
97.02949	2.6
99.00884	2.2
99.04515	2.0
101.02438	14.1
101.06052	1.0
108.02150	3.2
109.02921	4.8
111.04484	1.0
113.02447	12.6
119.03474	3.0
121.02914	2.6
122.03753	0.9
123.00871	0.9
123.04496	1.9
124.01658	16.6
125.02428	12.7
129.05588	1.5
134.03726	1.9
135.04544	5.2
137.02432	13.0
138.03235	4.5
143.03455	1.6
151.00381	1.4
151.04053	2.4
159.04469	1.6
161.02451	4.8
161.04527	4.4
169.01411	1.4
179.02054	0.8
179.03496	6.1
179.05621	1.4
190.58165	0.9
205.12140	1.0
221.15466	1.8
223.13264	2.0
235.17036	1.6
237.14905	5.6
239.16504	4.0
242.05754	1.6
245.08282	1.0
245.15427	6.0
247.13303	6.1
249.21375	0.9
253.17860	0.9
261.15051	1.6
262.15692	3.7
263.16510	33.0
264.13626	3.9
264.16653	1.9
265.14429	90.3
266.14703	2.2
269.08163	2.0
283.15472	8.8
289.07172	3.3
289.14383	10.5
301.05804	1.0
307.15472	14.2
324.15695	4.0
325.12982	2.3
325.16501	34.0
402.61926	0.9
415.23325	13.8
425.20599	1.0
427.18823	1.6
427.23444	3.2
445.24338	2.0
449.09879	1.8
451.10190	6.1
469.20187	2.1
487.21777	92.4
488.22180	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
55.84046	1.1
57.03448	2.8
59.01377	100.0
61.98841	1.6
69.35339	1.0
70.21048	2.1
71.01379	63.4
73.02940	27.8
75.00877	1.3
83.01390	10.7
85.02947	18.2
87.00867	7.8
89.02441	42.6
95.01414	2.0
97.02975	1.7
99.00885	6.2
101.02437	36.1
113.02444	17.9
119.03503	3.1
125.02461	7.1
131.03499	36.5
132.03719	1.0
136.05293	2.5
137.02399	1.1
137.53725	0.9
138.85295	0.9
143.03490	2.9
149.04553	24.9
151.07683	3.1
154.75894	0.9
155.03482	2.6
161.02466	1.9
161.04559	4.2
179.05608	1.4
191.05609	54.4
192.11586	1.6
195.06563	1.4
203.05626	5.6
207.13910	3.1
213.48047	0.9
233.06628	13.6
235.13419	4.5
249.15044	1.3
374.42184	1.0
445.20605	3.2
487.21170	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17440	1.0
55.01868	1.1
57.03448	1.4
59.01378	56.5
61.98832	13.8
63.04176	0.8
69.03449	2.5
69.47089	2.9
71.01380	25.5
72.99305	1.5
73.02940	12.8
79.05544	1.2
81.03454	4.2
83.01392	2.7
83.05022	1.1
85.02943	8.3
87.00875	2.4
89.02444	20.5
97.02401	1.0
97.02971	5.2
99.00868	1.9
101.02438	21.9
103.04012	14.5
113.02437	1.4
115.04021	1.5
119.03499	7.2
125.02444	19.8
127.04038	1.8
131.03535	2.2
135.11790	6.1
137.09712	11.5
143.03493	3.0
145.05093	2.9
149.01122	1.1
149.02435	0.8
149.04547	4.6
154.13060	0.9
155.10783	3.9
161.04565	1.0
163.06131	12.8
179.10771	100.0
180.11081	2.6
181.90433	1.0
191.05551	1.2
205.07187	1.4
221.08174	5.7
233.06563	2.4
247.08157	6.9
269.90787	1.0
283.11908	2.2
290.14059	1.1
293.08841	13.1
294.09198	1.0
307.10431	7.5
331.06262	9.8
449.12119	1.0
487.16614	3.2
487.22815	12.1
501.48090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.12614	0.8
60.66784	0.7
63.09727	0.7
69.10621	0.9
69.11021	4.3
71.01394	1.7
75.00903	0.9
87.00894	1.5
88.98827	1.5
89.02435	2.2
101.02448	0.7
125.02484	0.9
237.11446	2.1
249.06306	1.3
319.14902	0.8
329.92911	0.7
361.62076	0.9
487.18890	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	487.2333
Annotation	8beta,14alpha-Dihydroswietenolide
Peak:m/z	Relative Intensity
56.57318	1.0
69.69133	2.9
69.69460	0.8
74.07512	0.9
96.95948	0.8
121.73260	0.8
123.00858	4.3
124.01660	1.6
125.02334	1.4
137.02383	3.4
137.06003	2.2
142.87560	2.4
143.94485	1.0
149.02405	1.8
151.03990	1.7
157.18279	1.0
162.03087	1.6
163.03885	2.9
175.03984	2.7
176.01070	2.4
178.02560	1.2
188.04785	1.5
189.01929	2.3
190.02650	2.1
201.05435	3.2
203.03525	1.8
216.04184	2.0
217.04979	0.9
218.01959	1.1
229.04909	3.0
231.06479	1.2
245.04546	1.2
246.01553	1.2
273.15002	1.4
285.11261	1.9
287.12576	0.9
288.74258	1.0
301.14148	1.1
315.15750	1.2
315.19336	1.3
327.15741	1.4
328.20047	1.0
329.17444	1.8
341.17377	3.5
343.15274	1.1
355.18726	1.1
356.23355	3.1
371.14639	0.9
382.21188	4.1
384.23001	7.9
385.16287	1.1
397.23285	1.9
399.25339	1.4
400.22552	11.2
428.22003	48.3
429.21988	1.8
430.59030	0.9
443.24371	100.0
444.24637	5.0
469.22198	7.7
487.23013	35.4
488.24075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2697
Annotation	Isocochlioquinone C
Peak:m/z	Relative Intensity
59.01369	0.8
85.00410	1.7
85.59466	0.4
88.52729	0.4
95.01369	0.9
96.02135	0.9
97.02979	0.5
100.98672	0.5
103.77672	0.4
108.02160	0.8
109.02910	0.7
110.00092	0.9
111.00874	1.6
123.00881	8.0
123.04481	1.4
124.01662	6.2
125.02455	2.2
137.02440	10.9
139.00362	1.3
150.03148	0.6
151.00322	1.0
151.03983	1.7
152.01155	3.3
157.11792	0.4
161.02460	0.6
165.01918	4.5
165.05531	0.8
174.03239	0.6
175.03979	0.8
179.03502	0.4
179.07094	1.2
193.08698	1.1
207.10284	0.6
221.08018	0.5
221.11667	0.8
235.13203	0.6
249.11354	0.8
249.14909	0.9
263.16440	0.7
277.14429	1.0
288.13394	0.5
291.19540	3.8
303.19547	0.9
305.17722	0.7
312.87790	0.5
319.19150	6.5
331.18973	0.9
333.24225	1.5
357.24219	1.5
363.25464	2.9
373.23669	0.5
385.23691	1.3
401.23172	1.3
404.74106	0.5
411.21866	1.4
414.05450	0.6
415.28525	0.5
429.22803	7.3
439.21249	1.1
441.71390	0.4
444.25037	0.7
457.22275	9.5
458.23044	0.8
459.27283	1.8
469.26331	0.6
472.24487	1.3
487.26926	100.0
488.27228	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	487.2699
Annotation	11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B
Peak:m/z	Relative Intensity
53.15290	0.8
57.03434	2.4
59.01372	1.0
61.98846	1.1
65.03951	1.1
67.01854	0.8
69.49078	1.5
69.49479	2.8
74.45016	0.7
81.03487	0.7
88.44605	0.7
95.01395	1.1
97.02959	1.6
98.22593	1.4
108.02177	14.5
109.02955	4.1
111.04534	0.7
121.02933	1.5
122.03733	1.6
123.00971	0.8
123.04553	1.0
124.01658	12.2
134.03734	3.4
137.02443	4.3
138.03207	1.5
176.69426	0.7
195.17442	0.9
204.05748	0.9
204.11333	0.8
222.31331	0.8
279.15994	1.2
307.15530	1.6
317.21085	1.1
369.20648	9.3
370.21756	0.9
371.26035	0.9
373.27585	1.1
383.25870	2.8
385.23779	2.3
387.21536	2.4
399.25317	2.0
401.26923	4.2
403.24905	2.6
409.23984	4.5
417.26529	1.2
427.24835	20.1
428.25348	1.1
445.25919	100.0
446.26248	5.9
487.27289	3.7
487.33862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.27
Annotation	Methyl lucidenate L
Peak:m/z	Relative Intensity
55.68130	1.3
58.78655	1.5
59.01362	1.6
61.98825	1.6
69.15669	5.7
69.16077	2.1
70.51363	1.3
73.93822	1.2
80.03407	1.4
81.03429	5.2
95.01372	3.7
109.02904	2.5
122.99998	1.4
123.00882	26.0
123.04525	14.0
124.01595	2.2
137.02434	16.4
139.00337	2.4
149.47185	1.3
151.00372	2.6
151.03973	2.2
152.01125	2.3
156.02953	1.3
165.01945	11.3
165.60904	1.5
348.22739	2.5
363.25198	3.7
455.24295	2.8
459.27319	5.0
472.24286	2.3
487.26834	100.0
488.27301	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	487.2698
Annotation	Methyl lucidenate L
Peak:m/z	Relative Intensity
50.74215	0.4
59.01355	0.5
61.98804	0.6
67.01907	0.4
68.99787	0.5
69.30266	1.7
75.21439	0.4
83.01403	0.5
95.01402	2.2
96.02203	0.6
98.00068	0.5
102.63400	0.4
108.02185	1.2
109.02946	1.8
110.00111	1.7
111.00874	1.6
123.00883	17.3
124.01663	8.2
125.02460	3.7
131.05058	0.4
136.01711	0.5
137.02441	17.4
138.03175	1.0
139.00395	3.5
139.04013	0.4
150.03207	1.3
151.00368	2.1
151.04042	1.9
152.01167	2.2
163.04068	0.5
165.01936	11.8
165.05553	1.4
174.03217	0.5
175.03957	0.8
177.05544	0.6
179.03476	0.9
179.07118	2.1
184.00229	0.4
185.28984	0.4
193.08685	1.2
207.06659	0.5
207.10313	0.9
221.08324	0.5
221.11800	0.9
235.09680	0.4
235.13580	0.5
249.14989	1.0
261.68057	0.4
263.12903	0.7
263.16544	1.0
273.01102	0.4
277.18051	0.5
291.19592	5.0
303.19632	0.7
305.17661	0.7
313.25415	0.5
319.19156	3.8
331.19107	1.0
331.22824	0.5
341.24783	0.7
357.24438	1.4
367.22754	0.8
373.23810	0.7
383.22452	0.7
385.23804	1.5
401.23184	1.4
411.21591	1.9
422.21140	1.6
427.24890	0.8
429.22711	9.4
430.22821	0.6
437.22897	0.5
439.21277	1.7
440.22104	2.7
444.25018	1.1
454.23611	0.5
455.24359	18.3
456.24731	0.8
457.22256	15.2
458.22324	0.8
459.27499	1.3
472.24515	2.8
487.27005	100.0
488.27463	6.0
509.60413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2705
Annotation	Methyl lucidenate L
Peak:m/z	Relative Intensity
60.60580	0.8
69.17139	4.5
74.37587	0.7
94.96168	0.7
109.02947	1.7
110.45623	0.8
122.03770	0.8
123.00893	4.5
123.04491	1.8
124.01640	2.6
125.02418	2.1
129.48526	0.9
137.02444	23.8
138.03210	5.0
149.06007	0.8
151.04004	12.9
153.01904	2.6
165.01953	1.6
165.05574	1.3
166.02719	2.0
170.02141	0.9
172.38269	0.7
179.03471	8.3
180.04253	0.9
193.05064	1.1
193.08691	1.1
202.44547	0.8
207.10222	1.2
221.08180	1.3
249.14926	0.9
263.12881	0.9
263.16464	1.7
270.37772	0.7
277.14429	1.5
279.16235	0.8
291.16016	0.9
291.19473	0.8
305.17719	1.5
305.21158	9.1
315.93069	0.8
319.19183	1.7
333.20718	14.1
334.21069	1.1
346.35559	0.7
379.03342	0.8
400.26288	1.7
415.28180	0.9
428.25568	1.2
444.25241	6.4
451.28546	4.6
454.23325	4.1
455.24536	1.8
469.29486	1.2
472.24460	12.0
487.27020	100.0
488.27249	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	487.3061
Annotation	Nahocol C
Peak:m/z	Relative Intensity
57.68228	0.9
60.47467	0.8
61.98819	1.1
63.52335	0.9
65.03981	1.8
69.80386	2.0
78.91893	8.0
81.03452	1.6
83.49883	0.8
85.44193	1.1
95.01376	2.6
97.02956	0.9
98.22622	1.1
98.31448	1.1
108.02194	3.0
109.02954	21.8
111.00909	1.0
116.92896	0.9
123.00882	4.3
123.04472	2.5
124.01633	3.4
125.02407	4.9
137.02448	18.5
138.03174	3.4
149.06070	1.9
151.03996	17.9
152.01114	1.9
165.05582	1.1
179.03546	2.3
179.07146	1.5
207.10208	1.5
265.14417	1.2
293.17236	1.4
333.24274	1.3
334.25162	1.3
380.73117	1.1
411.29376	1.3
414.24158	1.3
415.09897	1.5
428.29254	2.8
429.26428	1.9
430.27222	1.5
437.27390	1.1
449.00751	1.1
454.27170	3.6
455.27890	1.7
472.28949	25.3
473.29037	1.5
487.31116	100.0
488.31271	5.8
492.05264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
68.44537	0.4
71.95189	0.4
88.04040	2.6
90.90585	0.5
95.01371	0.5
96.02206	1.0
97.02956	0.5
108.02174	5.9
109.02952	8.3
110.03751	0.6
111.00901	0.5
121.02927	1.1
122.03734	1.1
123.00879	4.1
123.04548	1.3
124.01661	13.1
125.02457	2.4
134.03769	1.1
135.04512	1.7
136.05251	0.6
137.02451	10.2
138.03239	4.7
149.02443	1.4
149.06090	0.7
150.03204	2.1
151.03995	10.8
159.04561	0.5
161.06088	0.5
163.03999	1.1
164.04744	1.2
165.05594	1.2
175.04068	0.6
177.05557	4.4
193.08731	1.1
207.10327	0.5
221.11870	0.5
242.00247	0.4
247.13348	0.7
254.63406	0.5
275.20187	0.8
290.18976	0.7
303.19525	3.0
304.20361	1.7
316.20264	0.5
317.21158	1.0
318.21945	0.5
337.21753	1.3
338.22208	4.4
343.23129	0.5
355.22800	0.7
363.27957	0.5
372.22968	1.0
383.07300	0.5
397.23892	1.0
398.24573	0.8
400.22516	1.0
407.22290	3.0
414.24097	1.7
415.24573	0.5
424.22519	4.7
425.23322	10.4
426.23547	1.1
439.24890	4.6
440.25787	1.3
441.26700	4.0
442.23541	13.0
443.24216	0.9
455.27893	1.6
457.25928	38.7
458.26312	2.1
472.28265	54.6
473.28629	2.3
487.30670	100.0
488.30972	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	487.3062
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
52.04991	0.3
54.87189	0.4
67.01885	0.6
68.07855	0.3
70.93132	0.4
81.03476	0.3
87.84236	0.3
95.01374	0.7
96.02167	0.4
98.22057	0.5
108.02166	4.7
109.02956	15.7
110.03750	1.0
119.41865	0.3
121.02896	0.5
122.03766	0.6
123.00926	2.1
123.04510	2.5
124.01653	9.0
134.03761	0.7
135.04501	1.0
136.01587	0.4
137.02438	19.9
138.03246	4.7
150.03223	1.9
151.03986	5.2
152.01137	1.4
152.04648	0.6
164.04727	0.8
165.01878	0.7
165.05525	1.8
177.05539	0.6
182.92628	0.4
189.10481	0.5
193.08745	1.5
207.10283	0.5
221.11894	0.5
249.15027	0.5
252.68355	0.4
262.15845	0.4
281.23782	0.4
291.19690	0.4
305.21201	0.4
319.19431	0.4
387.25299	0.8
389.77423	0.4
415.27634	0.7
429.26843	0.9
439.25043	2.8
442.23459	0.8
455.24121	0.6
456.25516	0.4
457.26022	20.4
458.26324	1.2
471.27026	0.5
472.28238	81.5
473.28607	5.6
487.30725	100.0
488.30957	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	487.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38541	0.6
55.88945	0.5
71.31169	0.6
82.12624	0.5
95.01372	0.7
96.02160	0.9
105.07075	0.5
108.02183	3.7
109.02958	8.6
110.03728	1.2
111.00874	0.6
121.02888	0.6
122.03699	0.8
123.00895	3.5
123.04538	1.2
124.01667	10.9
125.02417	1.8
135.04523	1.6
136.01630	0.8
137.02441	15.9
138.03232	6.0
142.02686	0.6
145.00348	0.5
149.02490	0.9
149.06006	1.0
150.03220	2.9
151.04005	15.6
152.01086	0.6
161.05911	0.6
163.03972	2.5
164.04784	0.9
165.05573	2.0
175.04028	0.9
177.05589	3.9
179.07127	0.6
190.02890	0.6
193.08667	1.0
207.10309	1.2
219.10364	0.7
233.11978	0.6
234.12489	0.5
235.13513	0.8
237.14972	1.9
238.15224	1.4
239.15573	0.9
247.13557	0.7
249.14980	0.8
253.14470	2.7
263.16486	1.0
264.17358	0.6
275.12970	0.7
275.20096	0.7
276.13565	0.7
290.18823	0.7
291.19467	0.7
292.20444	0.9
303.19601	2.7
304.20309	1.3
305.21158	1.7
317.21262	0.7
397.24063	0.8
398.24512	0.7
400.22397	0.9
407.22293	2.2
414.24081	2.4
415.24207	0.6
424.22443	5.6
425.23294	5.0
426.23947	0.6
429.26923	0.7
429.43976	0.5
439.24927	4.9
440.25443	1.9
441.26526	1.5
442.23563	12.6
455.27960	1.5
457.25964	37.8
458.26196	1.9
471.27737	0.6
472.28290	66.9
473.28503	3.5
487.30673	100.0
488.31104	5.4
493.23056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3062
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01651	0.8
61.98821	1.9
62.50994	0.9
71.22102	1.1
77.68612	1.0
86.09220	0.9
105.51331	0.9
108.02162	11.2
109.02962	6.1
121.02974	1.7
122.03770	2.1
123.00871	2.3
123.04514	3.3
124.01654	16.8
134.03772	2.0
135.04529	1.2
136.01636	1.2
137.02454	11.4
138.03233	2.4
150.03242	2.7
150.34724	0.8
151.04025	3.6
156.09773	0.9
164.04875	1.1
165.05597	1.2
166.37782	0.8
177.05615	1.2
185.17990	0.9
186.57637	0.9
305.21216	1.2
306.73886	0.9
329.79800	0.8
371.01779	0.9
387.25140	1.6
407.22299	1.3
429.26672	2.5
439.24841	8.1
442.23566	1.4
451.28653	3.0
457.25906	55.5
458.26422	2.2
472.28235	41.9
473.28796	2.1
487.30725	100.0
488.31140	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.93813	2.2
56.64924	2.1
61.98820	2.2
65.62870	2.4
66.89710	2.0
67.38583	2.5
85.99002	2.3
118.33809	2.6
140.29524	2.5
151.03848	2.3
172.45712	2.5
179.73442	2.7
213.49881	2.6
223.54219	2.4
284.43030	2.8
326.83157	2.8
395.92374	2.5
469.33282	11.1
470.33493	2.8
472.25131	3.5
487.27567	3.7
487.34274	100.0
488.34543	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	488.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81085	0.8
57.03436	2.2
59.01366	3.0
61.98828	89.0
65.36881	0.7
69.21114	4.1
69.21498	1.8
71.01374	1.7
75.03280	0.8
81.03448	1.0
83.01381	1.7
89.02486	1.0
95.05009	1.0
97.02938	1.7
108.02186	1.2
109.02952	55.1
121.02967	1.5
123.04516	4.8
125.02441	17.5
130.65703	0.9
137.02448	7.6
139.04012	1.7
145.02943	3.9
149.02455	1.9
151.04025	4.6
153.01930	100.0
159.04523	1.6
161.06027	1.3
164.01160	1.4
165.01907	3.6
167.03458	1.6
175.04039	1.2
179.03485	3.8
185.06061	1.5
187.03990	2.6
188.04716	1.7
203.07115	6.2
205.05031	3.6
211.46291	0.8
226.49998	0.9
227.07091	1.3
245.08153	10.4
245.15236	1.2
271.06125	11.4
287.05664	1.0
289.07169	63.6
290.07578	1.7
325.16580	1.4
326.16959	1.0
425.08774	31.2
426.09262	1.6
450.09866	1.7
487.21725	1.0
488.22067	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	488.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01387	2.9
60.01672	0.4
61.98830	100.0
62.43395	0.4
64.27659	0.4
69.03435	0.4
69.49536	1.6
71.01376	1.1
72.69312	0.5
81.03461	1.0
83.01387	0.7
88.98814	0.5
89.02442	0.8
93.03437	0.5
93.29095	0.4
97.02974	1.2
98.21922	0.9
101.02458	0.6
108.02197	0.8
109.02954	29.9
113.02460	0.5
117.18176	0.5
121.02916	0.5
123.04540	2.8
125.01508	0.7
125.02445	14.3
135.04576	0.5
137.02429	5.3
139.04042	1.1
145.02942	2.6
149.02446	1.4
150.03192	1.0
151.04004	2.5
153.01936	55.4
154.02336	0.7
159.04587	1.2
161.02458	1.7
161.06113	1.4
163.04034	0.6
164.01183	0.7
165.01982	1.5
165.05614	1.6
167.03525	0.5
175.04031	1.1
179.03514	1.7
179.07161	1.0
185.06097	0.7
187.04051	1.6
188.04730	1.0
189.05656	1.2
203.07185	3.4
205.05104	1.7
211.03848	0.5
221.08220	0.6
223.06067	0.6
227.07164	0.7
245.08195	5.2
249.07695	1.1
253.05179	0.8
258.57077	0.5
265.14407	0.6
266.14786	0.7
267.15997	0.6
269.04651	0.5
271.06082	8.2
275.05676	3.4
284.79950	0.4
287.05740	1.6
289.07178	30.5
290.07532	1.5
300.11414	0.4
307.81302	0.4
325.16669	0.8
332.03528	0.4
381.09839	0.6
414.44257	0.4
425.08746	19.5
426.09286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88939	0.2
56.31588	0.2
57.03450	0.4
59.01377	2.8
61.98827	100.0
62.89385	0.2
67.20695	0.2
71.01373	0.3
71.45174	0.2
73.02932	0.2
75.00852	0.2
85.53725	0.2
87.04496	0.3
89.02410	0.3
93.03452	0.3
106.06647	0.3
108.02175	0.4
125.02438	2.7
126.02820	0.2
128.37584	0.2
137.02469	0.8
139.00490	0.2
152.01122	1.3
153.01492	0.4
161.02452	1.1
165.69640	0.2
167.03543	0.3
168.04019	0.2
168.79730	0.2
223.13409	0.4
287.05746	0.8
305.06738	0.3
322.97009	0.2
452.12814	0.3
487.30695	0.4
488.14899	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	488.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81718	2.1
59.01379	100.0
60.01697	2.6
61.98808	3.1
69.03434	5.6
69.22155	14.3
71.01380	73.5
73.02931	9.3
79.34862	2.3
81.03436	4.5
83.01368	11.1
83.05000	2.7
85.02946	10.6
85.96196	2.3
87.00926	2.8
88.98820	2.1
89.02441	77.1
89.57283	2.3
91.01875	8.7
93.03441	8.8
95.01382	3.1
97.02965	8.3
99.00833	3.0
101.02429	16.2
103.97342	2.4
107.05043	4.0
108.24238	2.2
109.02946	3.8
111.00899	2.5
111.08163	25.1
113.02415	10.9
119.01368	3.8
119.03519	5.6
121.02937	10.1
125.02454	39.4
126.02809	2.5
128.34967	2.3
128.68964	2.2
131.03505	19.8
137.02434	12.6
138.05576	2.3
139.04099	2.6
140.03499	2.3
143.03436	3.1
149.04561	28.0
150.75705	2.2
151.02834	5.0
151.04007	90.1
151.05231	5.1
153.01889	4.1
161.04568	4.8
169.01463	4.9
177.01924	2.6
179.03465	4.1
191.05615	10.5
233.06621	7.7
239.09183	15.5
283.08105	8.9
293.08759	48.7
296.74500	2.2
318.06769	3.1
336.07864	4.4
413.10553	5.8
432.56943	2.3
488.15604	3.8
488.22250	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
65.42340	0.8
66.11981	1.0
66.72385	1.0
69.72842	1.3
69.73186	2.7
71.01413	1.1
74.02460	2.5
78.15446	0.9
79.82948	1.0
80.68090	0.9
87.00870	0.9
89.02429	1.3
98.21864	1.7
101.02444	1.5
102.05604	39.2
125.02511	1.0
128.03531	28.9
128.04434	2.0
133.01393	1.4
134.62129	0.9
135.91504	1.0
145.06171	4.1
146.04590	100.0
147.02892	1.0
192.00696	1.0
201.46552	0.9
241.35875	0.9
250.38718	1.0
341.10864	1.5
369.52539	1.0
451.44867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20867	0.7
59.01368	2.3
60.37778	0.6
68.89661	0.8
70.20395	1.0
70.20703	0.8
71.01369	1.2
74.02464	1.0
84.04569	0.7
87.00880	1.1
87.61103	0.7
88.96451	0.8
95.94548	0.7
98.22602	1.0
101.02422	1.2
102.05607	36.5
103.05909	0.7
127.05122	1.9
128.03537	27.3
128.05470	1.0
141.83536	0.8
145.01485	0.8
145.05139	1.3
145.06184	13.3
145.07237	0.9
146.04594	100.0
146.06511	4.1
147.04979	0.8
158.35406	0.7
253.97119	0.7
341.10837	1.0
342.11246	1.0
343.63464	0.8
483.27649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78779	2.9
57.03440	6.8
59.01373	100.0
59.29775	2.7
59.43462	2.8
61.98826	23.6
69.30510	14.6
71.01008	4.9
71.01379	69.8
73.02941	16.5
83.01367	7.9
85.02946	22.6
87.00868	8.5
89.02435	55.8
89.02943	5.0
95.01366	7.8
96.96005	3.6
97.02916	2.7
97.13481	2.5
98.22614	6.5
99.00861	6.7
101.02435	51.5
106.45799	2.7
113.02433	41.3
119.03505	23.4
125.02415	13.4
129.84669	2.6
131.03470	15.8
143.03499	6.1
159.02901	6.0
161.04521	30.1
167.03464	3.8
169.01411	4.6
177.01866	6.7
179.05591	61.0
221.06644	52.3
263.07721	37.5
266.13956	15.9
429.21295	3.7
445.17065	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.07282	2.4
57.03434	2.3
59.01378	100.0
61.98826	35.8
68.48377	2.9
71.01380	66.5
71.08973	3.1
71.09306	3.1
72.99292	4.2
73.02938	10.0
83.01382	7.1
85.02956	19.6
87.00877	8.5
89.02443	47.2
95.01397	4.0
97.02950	2.5
99.00875	5.1
99.93460	2.7
101.02437	45.4
106.06338	2.5
113.02448	27.1
119.03485	12.9
125.02463	3.0
130.52124	2.3
131.03494	39.2
143.03491	3.6
149.04541	32.4
158.17722	2.8
161.04539	10.4
163.67221	2.5
179.05582	3.4
191.05586	53.8
224.13734	3.9
233.06641	42.2
318.15350	2.8
429.21304	5.3
445.20691	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	488.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42319	0.5
61.98824	100.0
69.23810	2.0
69.24220	0.9
83.83498	0.5
99.32820	0.5
116.92860	0.6
134.18852	0.5
137.72885	0.6
227.50607	0.6
254.41374	0.6
341.15796	0.5
385.31253	1.2
452.14377	1.0
456.54205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
58.39133	0.4
59.01377	14.4
61.98819	0.7
63.02396	0.9
65.00320	1.5
71.01381	3.1
73.02956	1.1
81.58945	0.4
83.01392	1.6
85.02941	1.0
87.00857	0.4
89.02435	2.4
91.01890	0.5
93.03427	0.7
98.22632	1.4
99.00888	0.8
99.04481	0.5
101.02444	2.4
107.01387	3.3
108.02174	2.0
109.02966	2.8
113.02453	1.8
119.03533	0.8
119.64948	0.5
121.02958	3.5
125.02425	1.0
132.00201	0.5
135.00890	1.3
148.01669	2.0
149.02466	0.6
151.00369	15.3
152.99646	0.7
159.04530	0.7
161.04555	0.7
163.00377	2.8
164.01112	1.7
169.01486	0.8
175.23042	0.5
178.99857	7.5
183.04553	1.0
185.06026	0.5
187.04103	0.6
192.00621	2.6
193.01460	0.5
199.03995	1.4
201.11356	0.9
203.03514	0.6
207.02989	1.9
211.03938	2.0
211.13356	3.4
213.01910	0.5
215.03629	0.6
216.04294	0.6
226.02644	1.5
227.03561	3.5
229.05014	1.0
231.90314	0.5
239.03259	0.6
243.02956	10.3
245.04564	2.4
253.99808	0.5
254.02165	2.2
255.02975	25.7
256.03497	1.8
257.04520	0.5
267.15930	2.7
271.02472	54.0
272.03043	3.3
273.04019	1.7
283.02393	2.6
299.01978	1.3
300.02744	100.0
301.03510	51.8
302.03845	1.9
355.62601	0.5
429.24966	1.4
447.09177	2.5
471.19919	1.6
489.10385	76.4
489.27496	6.2
490.10623	3.3
497.36462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03441	0.9
59.01377	25.4
61.98819	1.8
69.07804	2.0
69.08218	1.6
69.47650	0.6
71.01383	4.8
73.02951	2.6
75.00861	0.7
83.01366	0.9
85.02948	1.7
87.00872	1.3
89.02431	2.7
89.21951	0.6
93.03436	1.3
95.01393	0.7
95.05038	0.6
99.00906	0.7
99.92585	1.1
101.02448	3.5
105.03481	1.6
107.05043	0.8
109.02916	1.4
111.00915	0.7
113.02446	1.7
116.92862	6.8
117.03448	1.3
119.03482	1.2
119.04993	1.0
121.02976	1.3
123.00893	0.7
123.04531	0.9
124.01682	1.2
125.02449	9.2
126.02738	0.7
129.47009	0.5
132.02194	1.7
133.02960	29.6
134.03688	1.5
135.04524	10.8
136.01701	0.9
137.02446	2.9
138.03198	0.7
139.04019	1.0
145.03000	1.3
149.02440	1.8
149.06061	2.2
150.03197	0.7
151.04050	0.9
160.01523	0.5
161.02440	100.0
162.03029	2.3
162.96750	0.5
163.04062	2.7
164.01143	4.9
165.01906	3.1
166.02698	2.1
167.03587	0.8
175.04001	1.1
177.01976	1.3
177.05562	3.4
178.02766	0.8
178.99911	1.3
179.03510	8.8
181.12350	1.7
184.30103	0.5
189.01881	1.5
190.02670	3.3
190.99855	0.6
191.03363	0.8
192.00639	58.7
193.01405	49.1
194.02216	4.9
205.01445	2.9
206.02170	2.3
207.02982	16.6
214.22746	0.5
220.03827	1.1
221.00951	1.8
221.04556	4.3
222.01714	2.5
223.13403	0.5
234.01666	9.4
235.02403	5.8
237.04004	1.0
249.04002	4.9
267.15967	2.7
268.21826	0.5
281.06659	6.7
285.13501	0.6
287.05826	0.9
305.06708	0.9
309.06195	0.7
312.04874	5.6
313.05597	4.4
327.07257	6.6
400.00562	0.6
418.35718	0.6
429.21036	1.4
445.20697	0.8
457.20883	0.8
474.08075	0.6
489.10379	77.1
489.22165	8.6
490.10617	3.8
490.24039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52063	0.6
59.01365	1.8
63.54690	0.6
70.48728	0.9
71.01371	1.3
71.05000	1.2
84.74491	0.7
99.04509	1.4
107.47241	0.6
109.00768	0.7
111.94109	0.6
117.05597	1.4
121.02993	0.7
124.01612	1.6
125.02428	2.0
136.01636	2.0
138.03233	2.0
150.03293	0.9
151.03967	1.0
152.01138	0.9
161.02457	3.3
161.08182	15.1
162.03221	3.1
164.01152	5.2
165.01930	1.2
166.02722	3.1
168.00633	0.8
169.01408	1.1
169.63020	0.8
177.01898	2.1
178.02711	2.1
178.99857	2.3
180.00604	1.8
183.02951	1.3
185.61580	0.7
188.90742	0.7
189.01811	1.1
190.02734	8.0
191.03464	0.9
192.00636	100.0
193.01393	26.7
194.02199	17.6
205.01428	4.0
206.02208	5.6
207.02972	66.3
208.03395	1.5
209.04568	1.4
221.00879	2.8
222.01675	11.8
232.03778	1.0
234.01688	24.8
235.02373	1.1
237.04033	7.2
249.04028	16.0
258.72311	0.7
272.83118	0.7
313.05774	1.2
327.07336	1.0
429.02222	0.8
453.10410	2.9
474.10123	2.7
477.11923	0.7
489.12466	61.4
490.12787	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	489.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72393	0.9
51.55365	0.9
59.01370	1.6
73.54967	0.9
74.45181	1.0
75.57401	0.8
87.00888	1.6
105.03478	1.0
109.02934	1.7
121.02934	1.3
125.02428	1.3
131.83925	0.9
133.02956	4.9
135.00864	2.0
136.01657	1.2
137.02411	3.3
138.03281	1.3
145.02969	1.1
147.04474	1.5
149.02414	5.0
150.03238	2.2
153.01924	1.2
161.02422	5.6
163.00414	5.9
163.03963	1.9
164.01128	4.6
165.01913	7.7
166.02710	4.1
173.02489	1.2
175.06094	2.7
176.01120	1.2
177.01944	15.0
178.02725	6.4
178.99892	1.6
179.03563	2.5
180.00731	1.3
181.05077	2.5
189.01990	5.6
190.02716	9.6
190.99870	24.3
191.03479	4.7
192.00638	77.2
193.01399	38.7
193.05080	2.6
194.02141	4.1
205.01410	13.3
205.05104	2.6
206.02238	3.4
207.02977	100.0
208.03459	2.6
209.04488	1.5
219.03020	2.9
221.00952	2.8
222.01802	4.7
223.02544	1.1
233.00896	18.1
234.01616	7.5
235.02538	2.3
237.03938	4.6
248.03392	1.8
249.04019	12.4
293.85748	1.1
309.06488	1.0
311.04037	8.8
312.04883	2.2
313.05637	9.5
325.05716	1.8
327.07181	43.2
328.07840	1.4
337.05402	1.1
354.05933	7.9
355.06635	4.1
356.07419	4.7
369.08154	5.4
396.06854	2.6
399.09290	2.5
411.09375	2.2
457.09869	4.4
474.10162	11.5
489.12500	98.1
490.12555	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	489.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32721	0.5
55.67568	0.5
55.85890	0.4
57.04934	0.6
59.01384	0.9
59.20760	0.5
59.93993	0.5
63.23573	0.5
64.91103	0.5
67.01875	0.4
69.58931	1.7
71.01396	0.6
89.30574	0.4
108.02206	2.3
109.02998	0.8
111.00890	2.5
119.79729	0.5
123.04550	0.7
131.08273	1.3
135.00896	1.0
136.01624	0.8
137.42897	0.5
143.03502	1.4
149.02470	0.7
152.01131	3.1
153.01929	2.0
161.02437	2.7
162.03226	1.2
163.00371	4.6
164.01137	4.3
165.01936	0.7
165.05557	0.9
166.02701	0.7
177.01987	2.0
178.02643	0.8
178.99826	0.6
189.01932	1.6
190.02747	4.0
190.99873	10.3
191.03392	0.7
192.00638	100.0
193.01376	14.3
194.02173	3.3
205.01424	6.0
205.04951	0.7
206.02176	3.1
207.02968	74.8
208.03304	1.9
217.00273	1.2
220.03786	0.6
222.01706	1.9
233.00848	3.0
233.99338	0.9
234.01675	12.9
235.02350	2.1
237.03998	2.0
249.04033	15.0
254.04469	1.5
266.98184	1.5
279.05048	0.6
307.42303	0.5
309.06036	0.8
312.04730	2.1
315.07169	6.1
327.07184	22.8
328.07690	0.7
337.05679	0.8
354.05722	2.0
369.08218	21.7
370.08328	0.9
399.10562	0.5
411.04712	0.5
411.09311	4.9
412.03760	0.7
429.06146	1.2
489.12595	3.5
490.12622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1402
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
51.05421	0.2
51.26291	0.2
52.03069	0.2
59.01381	1.6
59.15062	0.2
61.98836	1.2
69.10154	0.5
69.10568	0.9
71.01383	0.8
84.15513	0.3
89.02469	0.3
93.03455	37.6
94.03813	0.5
96.96028	0.3
98.22617	0.3
101.02431	0.5
113.02442	0.6
119.08617	0.3
121.06598	0.8
122.03718	0.4
123.04525	1.7
125.02446	0.5
137.02440	100.0
138.02780	1.0
145.06583	0.5
161.02466	0.6
163.07639	1.5
175.03778	0.3
207.06612	5.5
267.16046	0.4
281.03799	0.2
281.06635	5.4
489.13876	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	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77007	0.2
57.03443	0.2
59.01377	14.7
59.98801	0.2
61.40454	0.2
61.98834	0.3
69.03452	0.4
71.01379	2.8
72.99303	0.4
73.02941	3.3
75.00842	0.4
77.03997	0.3
81.03444	0.3
82.95414	0.7
85.02936	1.2
87.00874	0.9
87.04533	0.3
88.98834	0.5
89.02438	2.4
93.03415	0.4
96.95979	0.2
97.03012	0.3
99.00858	0.3
101.02444	4.0
101.40362	0.2
103.00426	0.4
103.01492	0.9
103.04008	2.2
108.88084	0.3
109.02928	0.3
110.67036	0.2
113.02458	0.8
115.04003	0.7
119.03500	1.3
121.02955	100.0
122.03292	1.5
125.02465	2.6
125.30801	0.2
131.03465	0.6
135.04572	0.4
137.02493	0.4
143.03474	0.7
145.05099	0.5
153.01945	0.4
161.04570	0.5
163.06097	3.4
169.01495	0.4
179.05630	0.3
193.47374	0.3
205.07155	1.1
230.82709	0.3
235.25813	0.3
267.16074	0.5
307.10294	1.7
429.13992	3.1
439.09210	0.3
446.17188	0.3
453.10571	0.5
489.15991	0.4
489.24261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01379	14.3
61.98830	1.2
63.75835	0.9
70.52841	0.8
71.01396	5.0
73.02946	2.1
75.00824	0.8
82.95406	1.4
85.02957	2.5
89.02441	2.8
97.57473	0.9
98.22709	1.5
101.02427	3.3
103.04059	1.4
106.63942	0.9
113.02452	1.8
119.03507	2.3
123.03274	4.3
125.02443	5.2
138.05605	100.0
139.05989	1.1
153.01906	1.3
163.06111	4.2
189.61710	1.0
199.31332	1.0
247.08301	1.7
307.10278	3.3
446.16641	42.5
447.16830	1.5
452.99512	1.2
489.16119	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	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57396	0.4
55.01874	1.6
56.09849	0.3
57.03455	1.8
58.00595	1.2
59.01377	42.4
61.98826	4.1
69.03448	0.4
69.41618	0.4
69.41949	1.8
70.18088	0.4
70.97166	0.4
71.01378	27.3
72.99314	0.9
73.02948	5.5
75.00872	0.9
81.03493	0.5
83.01381	4.1
85.02946	11.6
86.00097	0.4
87.00872	3.5
88.01665	0.5
88.98800	2.0
89.02441	16.0
95.01373	3.0
97.02930	0.9
98.21861	0.7
99.00867	3.0
101.02437	19.0
109.02945	1.5
110.03302	0.5
111.00869	0.9
112.01670	0.8
113.02444	13.0
119.03494	6.3
120.99636	0.9
121.02934	2.8
122.03738	1.9
125.02441	2.4
129.01945	0.6
131.03488	3.2
135.08171	1.1
137.02423	0.5
137.09732	0.3
138.13338	0.4
143.03513	1.2
147.08180	2.1
149.09711	11.5
151.01181	0.4
153.01924	3.2
154.02309	1.3
158.33615	0.4
159.03008	0.7
159.04474	0.5
161.02414	0.7
161.04561	3.5
161.09618	0.6
163.07651	0.8
164.08408	1.5
165.09200	82.5
166.09479	2.1
179.05573	2.1
189.09178	0.9
192.00653	0.8
201.09145	0.4
205.08876	0.6
207.10234	7.8
208.10548	0.4
219.10359	1.0
221.06668	1.9
249.11644	0.4
261.11340	0.5
267.12335	0.5
267.16016	2.6
289.07236	0.9
290.07510	1.7
297.09729	0.8
309.13187	0.6
316.88348	0.4
327.14468	100.0
328.14731	4.5
369.15546	0.7
399.15738	0.5
426.08905	0.9
429.21567	1.9
429.26251	0.4
432.00708	0.4
457.20700	0.4
489.19675	87.2
490.20007	5.3
492.90967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03425	1.8
59.01376	100.0
61.98831	15.7
69.03455	1.9
69.24208	6.5
71.01378	23.6
72.99297	3.0
73.02945	30.6
83.01379	2.9
85.02940	10.8
86.00097	1.4
87.00859	8.4
87.04510	4.4
89.02448	22.7
89.40090	1.2
95.01377	1.9
96.95963	1.3
99.00900	1.8
101.02437	48.8
103.04002	17.6
108.02165	2.0
109.02964	1.8
113.02404	5.3
115.04011	8.8
119.03516	10.2
123.00858	4.1
124.01610	1.8
125.02452	6.8
127.04025	2.1
131.03485	9.0
137.02475	1.3
141.01654	1.6
143.03481	10.9
145.05090	5.9
161.02538	1.3
161.04543	2.8
163.06114	75.2
179.05605	3.1
205.07156	19.1
265.09283	7.8
267.15997	1.7
366.48544	1.3
429.17178	13.4
451.12128	2.6
489.20505	1.8
512.48071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41046	1.3
57.03431	1.9
59.01379	100.0
61.38897	1.2
61.98837	7.7
71.01380	25.1
72.99303	1.6
73.02947	27.3
83.01378	2.4
85.02946	9.1
87.00851	8.7
87.04531	1.6
89.02447	21.4
95.01382	2.6
98.22696	2.2
99.00881	1.7
101.02443	43.9
103.04001	15.0
108.02173	2.9
108.68374	1.3
109.02947	2.3
113.02443	6.4
115.04005	9.5
119.03481	11.0
123.00885	6.3
124.01643	3.0
125.02452	14.6
131.03514	7.5
143.03535	9.4
145.05089	3.5
160.49608	1.4
161.04527	3.7
163.06129	61.4
166.05110	3.2
167.03467	1.5
179.05553	2.4
197.04594	3.3
205.07173	15.3
229.13336	1.8
250.21028	1.4
265.09232	6.5
267.16089	3.2
269.06680	2.6
280.81830	1.4
325.11246	1.8
429.17474	7.4
429.21732	5.3
451.12531	3.6
489.09802	3.3
489.20102	2.3
492.14807	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	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48645	0.5
55.01884	1.9
57.03446	1.4
58.00593	0.7
59.01378	35.7
61.98832	2.4
69.34334	2.1
71.01379	24.4
72.99310	1.0
73.02949	5.0
74.04669	0.4
74.60101	0.4
75.00878	0.7
82.74079	0.3
83.01389	3.5
85.02946	10.5
87.00882	3.3
88.98804	1.5
89.02446	15.2
95.01382	2.0
97.02966	0.6
98.21896	0.8
99.00893	2.3
101.02444	15.0
109.02932	1.1
110.54900	0.4
111.00912	0.8
113.02448	10.3
119.03500	4.5
120.99680	0.5
121.02945	3.1
122.03768	2.3
125.02445	2.0
131.03502	2.0
135.08202	1.1
143.03506	0.9
147.08206	1.5
149.04605	0.5
149.09709	10.1
153.01912	1.4
153.65462	0.4
154.02310	0.7
159.02982	0.8
159.04526	1.2
161.04565	3.4
161.09735	0.5
163.07550	1.0
163.63206	0.4
164.08452	1.1
165.09203	67.0
166.09541	1.3
169.64476	0.4
179.05609	1.2
179.07076	0.5
189.09259	1.2
207.10252	6.5
219.10277	0.8
221.06711	2.2
224.05139	0.5
228.31433	0.5
233.51509	0.4
261.11157	0.4
267.16064	1.7
289.07104	0.5
297.09634	0.5
309.13443	1.1
327.14471	100.0
328.14893	4.2
369.15250	0.6
426.08752	0.7
429.21240	1.4
457.20883	0.6
489.19678	90.4
490.20004	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03452	0.8
59.01377	100.0
60.01714	0.4
61.98822	1.0
69.03446	0.6
69.38810	0.5
71.01379	6.0
72.99327	0.5
73.02947	2.7
75.00862	0.2
81.03458	0.3
83.01389	1.1
83.05022	0.3
84.02165	0.2
85.02946	7.3
86.03301	0.1
87.00873	6.6
89.02440	1.2
93.03469	0.5
95.01392	0.5
95.05032	0.3
97.02938	0.7
97.06593	0.5
98.22582	0.3
99.00879	1.2
101.02445	5.2
105.03449	0.1
107.05025	0.3
108.02185	0.5
109.02953	0.2
110.03742	0.2
111.00883	0.4
111.04546	0.4
112.01696	0.3
113.02448	4.4
115.04020	0.2
120.01287	0.3
123.04517	2.2
124.01666	0.1
125.02455	1.2
125.06075	2.2
126.02807	0.1
129.01967	0.3
131.03494	0.2
135.04549	0.3
137.02466	0.4
139.04027	0.5
141.05573	1.4
143.03477	0.6
151.04053	0.4
153.05550	0.7
153.12854	1.1
155.03470	0.1
159.02974	0.6
161.04555	3.6
167.03418	0.1
169.05061	1.4
197.11787	0.2
222.20323	0.1
223.13380	0.2
233.06627	0.1
297.17294	0.1
315.18109	4.6
316.18347	0.1
355.17554	2.9
399.16626	0.2
411.20187	0.7
429.21252	28.2
430.21616	1.3
447.22318	13.8
448.22629	0.7
489.23193	3.2
490.23199	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01378	100.0
60.01718	0.7
61.98800	0.7
69.66238	0.4
70.58880	0.6
71.01385	4.3
71.27444	0.5
73.02964	1.6
75.00906	0.4
75.86247	0.4
83.01415	0.6
85.02963	2.0
87.00867	0.6
88.98792	0.8
89.02454	1.4
97.02950	0.4
99.00876	0.7
101.02454	2.3
109.02971	0.4
113.02448	1.7
119.03498	0.6
124.98853	0.6
125.02450	2.4
137.02438	0.8
139.00380	1.6
152.99751	0.4
153.01941	5.1
157.16292	0.5
157.54478	0.4
161.04613	1.0
169.01431	0.9
171.10281	1.0
177.05585	2.6
181.01498	0.6
192.04311	0.8
193.05127	1.0
194.05832	6.2
199.09764	0.7
207.06578	0.8
207.13925	0.5
208.31015	0.5
209.08276	1.3
210.05392	0.7
223.06171	0.4
227.05746	0.9
239.05658	1.2
253.07185	8.9
254.04308	3.0
255.05159	1.6
267.07278	1.6
269.06589	8.1
270.07385	1.7
271.11972	1.5
285.09833	2.3
424.35690	0.6
429.21326	2.3
451.08759	0.6
451.26437	0.6
474.13733	3.4
489.16287	5.7
489.23602	5.4
490.17020	0.7
490.23749	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88789	0.3
57.03436	0.8
59.01377	100.0
60.01716	0.3
61.98822	2.5
69.49917	1.3
71.01380	3.9
72.99307	0.9
73.02950	5.4
75.00878	0.7
82.95457	0.3
83.01405	1.6
85.02970	1.0
87.05908	0.3
88.98827	0.4
89.02438	2.5
95.01443	0.3
96.96044	0.5
98.21858	0.5
99.00914	0.4
101.02438	5.9
103.01496	0.7
109.03022	0.4
113.02421	3.1
116.92933	0.4
119.03506	1.3
122.03721	0.4
125.02437	4.0
126.02788	0.8
127.02914	0.5
128.03255	0.3
131.03526	0.9
132.37611	0.3
133.46179	0.3
137.02484	0.8
143.03551	0.6
144.75890	0.3
147.04594	0.4
149.02473	0.7
149.04529	1.4
150.03221	2.2
151.03998	0.5
161.02472	1.1
161.04543	2.8
162.04689	0.4
165.05562	1.9
174.03288	0.8
175.04080	0.5
184.85773	0.3
189.05525	0.6
190.02602	0.3
192.00696	0.9
193.01488	0.7
195.06685	0.8
207.03073	0.5
207.10231	0.4
221.06677	0.7
227.03589	0.5
234.05486	0.5
249.07713	2.7
249.14896	0.4
252.13708	0.5
255.03101	0.5
267.15991	2.5
269.04669	0.5
284.03244	0.5
285.03976	0.5
287.05536	0.5
305.95746	0.4
333.18616	0.3
429.21323	2.1
430.18268	0.3
449.43863	0.3
489.15933	0.6
489.23657	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
59.01376	76.8
61.98839	1.0
65.79324	0.4
69.03463	0.9
71.01379	7.9
71.05000	0.6
72.06228	0.5
72.99311	1.1
73.02941	2.8
75.00866	2.8
76.86623	0.4
81.03461	0.8
83.01379	1.1
85.02951	2.9
87.00885	0.8
87.04523	0.7
89.02442	5.4
95.01415	0.5
98.21880	1.2
99.00900	0.8
101.02440	4.4
109.02986	0.7
111.04543	0.5
113.02449	2.7
116.20130	0.5
119.03522	1.9
123.04521	4.7
125.02450	12.6
133.02954	0.9
137.09734	0.8
139.11281	13.6
161.02420	3.1
161.04568	1.3
163.11316	1.1
165.09222	1.1
169.12410	0.7
177.01883	0.8
179.03589	0.6
179.05588	0.7
179.10783	0.7
181.12347	6.2
183.10246	15.5
195.13902	0.9
197.11833	0.8
211.13400	1.0
223.06036	1.1
225.11296	6.6
243.12405	1.6
267.15851	1.0
285.13486	1.1
357.06073	0.7
369.18820	1.1
429.21085	1.0
445.24326	0.6
451.10352	1.3
453.17636	1.7
471.22403	3.9
489.23361	100.0
490.23630	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03449	0.6
59.01379	100.0
60.01730	0.3
69.03459	0.5
69.38714	0.8
71.01380	5.7
72.99319	0.3
73.02944	2.4
74.05050	0.2
81.03478	0.3
83.01415	0.9
84.02120	0.2
85.02945	4.4
87.00879	5.7
88.98837	0.6
89.02438	2.0
93.03470	0.3
95.01406	0.7
97.02959	0.5
97.06615	0.2
98.22644	0.3
99.00888	2.4
101.02447	3.3
107.05077	0.2
108.02163	0.5
109.02933	0.3
111.00863	0.2
111.04542	0.4
112.01668	0.3
113.02450	5.3
119.03510	0.5
123.04505	2.0
125.02465	0.8
125.06102	1.7
129.01988	0.4
131.03511	0.5
135.04524	0.2
137.02451	0.3
139.03989	0.4
141.05580	1.6
143.03484	1.1
149.04578	0.3
151.04010	0.4
153.05583	0.6
159.02963	0.5
160.43398	0.2
161.04558	2.2
169.05040	1.0
205.07236	0.2
215.05734	0.3
225.05669	0.4
233.06740	0.7
237.51192	0.2
241.08728	0.5
293.09106	0.2
315.18066	1.6
355.17856	0.4
405.60864	0.2
412.57428	0.2
416.51514	0.2
429.21268	8.7
430.21884	0.3
446.03079	0.2
447.22333	8.4
448.22897	0.2
453.22507	0.2
480.38409	0.2
489.27658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
61.98828	1.0
69.53413	3.0
72.71999	0.7
78.95912	1.0
95.01424	1.0
105.05321	0.8
108.02170	4.4
109.02969	2.2
121.02979	1.9
122.03734	0.8
123.00904	4.6
124.01662	20.1
125.02444	6.7
134.03775	1.3
135.04518	2.7
136.59343	0.8
137.02455	8.9
138.03217	2.9
139.03995	3.1
142.74478	0.7
146.03638	1.1
149.02449	2.2
149.06062	1.1
150.03230	1.7
151.04015	4.2
152.23203	0.8
153.01964	2.5
159.04510	1.1
163.04021	3.3
165.05544	1.2
175.04015	2.0
176.04797	1.2
177.05563	7.6
185.35646	0.8
191.07132	1.7
196.03967	0.8
196.77744	0.9
210.00969	0.8
215.53017	0.9
233.11874	0.8
265.14459	2.5
302.66464	0.9
303.19574	1.6
317.21078	1.2
334.21506	5.3
349.23877	9.5
355.22833	1.0
369.24200	0.9
397.24020	1.1
407.22134	1.0
413.23380	1.6
423.21704	5.7
424.22452	3.2
425.23328	1.2
438.24173	1.1
439.24899	1.9
441.16949	1.3
441.22845	14.5
442.23132	1.1
456.25153	45.9
457.25485	2.7
471.27509	100.0
472.27765	6.0
489.28555	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	489.3582
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
57.03445	0.7
59.01398	0.7
61.98829	1.5
62.82170	0.7
68.06772	0.7
69.03452	0.9
71.05022	7.3
78.95898	1.0
79.53185	0.7
81.03458	5.3
83.70238	0.6
84.02148	0.7
85.47494	0.7
97.06597	1.2
98.03717	2.1
99.04516	10.8
99.08135	1.0
108.42044	0.8
109.53020	0.7
113.09721	1.0
114.48732	0.7
123.08186	1.1
125.09731	1.3
139.33513	0.6
141.09192	3.0
143.10773	14.4
152.99579	1.7
154.70326	0.7
178.45747	0.7
245.19136	0.8
273.18649	1.0
325.28973	0.8
341.28476	0.9
345.31583	4.3
383.32950	1.2
409.35104	1.6
427.35962	9.8
433.33096	0.7
443.34933	1.2
445.37061	4.5
455.31668	1.2
471.34781	28.6
472.35175	1.3
489.35834	100.0
490.24380	2.6
490.36182	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	489.3598
Annotation	Sipholenol D
Peak:m/z	Relative Intensity
57.03452	0.8
58.00576	1.2
59.01373	1.4
60.28373	0.7
61.98817	4.1
70.74396	1.1
71.05024	1.0
75.00867	1.7
97.06590	3.9
100.61940	0.7
109.02946	2.3
109.06664	0.7
109.42738	0.7
121.02953	1.2
122.03774	1.2
135.04500	1.3
137.09740	0.6
151.04012	3.0
163.03978	2.8
164.04794	1.1
179.10719	2.1
195.13826	3.3
207.13916	0.7
219.17549	1.0
235.20712	1.7
279.15805	0.7
365.24893	0.9
407.33173	5.1
409.24112	2.9
411.32718	1.1
413.34229	7.6
423.32751	1.0
425.33987	0.9
443.35349	2.4
445.36877	2.6
451.24847	42.5
452.25266	3.5
453.25479	5.7
453.33762	2.0
471.34787	29.9
472.35037	1.4
489.35852	100.0
490.36035	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71106	1.4
59.01374	9.4
60.99292	2.2
61.98805	3.6
62.41988	1.4
66.23012	1.6
69.03456	26.2
69.24273	6.5
71.01356	2.1
79.01899	10.1
81.03427	2.2
85.02963	1.4
85.68405	1.4
88.98797	15.2
95.45490	1.4
97.02939	14.6
107.01388	36.4
108.02162	3.2
121.02943	2.0
123.00881	2.8
125.02446	31.8
135.00877	21.9
136.01619	2.3
149.02443	2.1
151.00372	46.3
152.01112	10.0
153.01848	2.0
153.85295	1.7
163.03999	2.5
169.00108	1.5
173.19069	1.4
177.01915	7.1
242.05833	52.2
243.06584	31.2
339.07217	2.5
405.07727	2.9
447.12933	100.0
448.13162	4.0
477.55472	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	490.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40522	0.6
55.85567	0.6
57.94864	0.6
57.97528	0.7
58.08954	0.5
59.01384	7.4
61.98830	9.4
63.81392	0.6
69.06416	0.6
71.01378	2.6
73.02940	0.9
75.00868	0.7
88.98797	1.8
89.02454	1.8
101.02438	2.1
106.29472	0.6
109.02922	0.7
113.02445	0.7
116.92854	1.0
123.04499	0.7
125.02416	1.9
137.02440	2.4
140.10268	0.6
151.04042	1.8
152.04807	5.4
161.02454	0.7
161.04480	0.7
167.02200	2.1
167.03484	1.0
177.01924	0.6
180.13145	0.6
181.03842	2.1
182.04579	100.0
183.03047	0.9
183.04948	1.7
225.06004	0.8
267.15961	1.2
268.16385	1.2
285.04031	1.7
298.14291	3.1
313.03516	1.7
329.06628	1.3
330.71490	0.6
427.19592	0.7
432.10178	0.8
454.08978	0.8
454.20541	0.8
490.15723	30.3
490.22821	1.0
491.11511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.2
61.98826	1.4
70.33679	1.2
70.34003	0.6
71.01370	1.5
72.92188	0.6
80.05049	5.2
89.02435	1.4
90.72304	0.6
94.83841	0.5
101.02404	0.8
104.05096	1.1
105.51409	0.6
106.06622	65.4
107.06969	1.0
108.04552	4.0
108.08196	4.3
113.02439	0.6
115.28182	0.6
116.06833	0.7
118.06627	0.6
119.03497	0.6
124.41878	0.6
125.02373	0.8
132.04553	3.5
132.08144	0.9
133.05312	0.9
134.06125	31.0
134.09738	4.1
148.07753	0.6
150.05617	10.0
152.07172	20.4
160.04034	31.6
160.07637	0.8
161.04675	2.4
162.05626	8.6
168.06880	1.4
174.05597	1.4
176.07158	5.4
178.05103	5.2
183.09344	3.2
183.13863	1.2
193.03888	0.6
194.04591	1.4
196.06389	1.1
202.05049	0.8
210.08035	1.0
211.08827	4.7
211.13380	29.9
212.07133	1.4
212.13763	0.7
213.08098	1.1
213.10303	3.9
224.09595	1.0
225.10327	5.9
227.11871	8.3
239.08269	4.1
239.11874	3.5
240.10254	2.5
241.09824	13.3
241.13454	8.3
249.10387	4.1
251.11890	1.9
252.08997	3.3
253.09727	12.2
254.10452	2.2
261.50116	0.6
267.08115	0.9
267.11356	10.2
267.14975	1.9
269.12949	14.7
277.09714	2.7
285.12427	29.4
286.12811	1.4
293.09189	0.7
295.10861	14.8
311.10443	8.4
311.13803	1.0
313.11942	57.1
314.12256	2.7
329.11465	3.8
339.09818	6.1
344.14169	3.2
374.15060	0.8
384.17166	1.7
386.14981	1.8
400.12863	1.4
402.17737	0.6
428.16199	8.0
430.13757	1.0
446.17181	26.8
447.17264	1.2
447.22406	2.3
472.15088	18.1
490.16187	100.0
491.16306	5.5
491.28268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03429	2.0
59.01377	17.9
61.98819	3.0
69.24741	8.8
71.01382	25.6
72.66603	1.4
73.02956	9.1
83.01386	4.3
85.02946	14.4
89.02439	2.3
96.09037	1.3
99.00881	3.5
101.02444	27.7
113.02446	12.7
131.03503	34.9
137.46486	1.6
151.30989	1.3
159.03024	3.4
161.04547	21.6
204.48248	1.8
234.70143	1.6
268.09769	1.5
315.18088	100.0
316.18396	2.7
447.22339	93.4
448.22552	4.2
490.23239	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	490.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
59.01377	12.9
61.98837	9.8
66.14958	1.2
71.01378	19.4
73.02943	10.5
74.19748	1.1
83.01392	3.3
84.56904	1.0
85.02957	10.5
87.00845	1.0
89.02445	4.1
95.01416	2.4
99.00893	3.6
101.02437	22.4
113.02459	10.5
125.02467	1.7
141.94110	1.1
145.43468	1.0
151.21094	1.2
159.03000	3.4
161.04558	13.7
225.07413	1.2
315.18134	19.6
447.22342	100.0
448.22821	5.8
509.79987	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41597	3.8
55.28809	4.0
57.03427	4.4
59.01377	52.6
61.98829	100.0
69.69035	14.7
71.01385	51.7
73.02930	10.7
74.39283	3.7
83.01370	5.6
85.02954	19.9
89.02437	13.8
93.03444	7.0
99.00854	9.3
101.02442	35.0
113.02441	22.3
121.02911	5.7
125.02441	6.4
137.02438	9.5
149.04575	7.8
161.04556	37.2
168.74901	4.6
211.11696	4.8
211.13365	28.3
229.14410	4.7
235.06067	7.6
236.06494	8.6
253.09233	4.6
315.18054	62.3
423.07007	4.2
447.22263	69.1
459.47079	4.2
490.27347	18.4
491.28381	6.1
499.32544	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	490.2447
Annotation	Majusine C
Peak:m/z	Relative Intensity
55.73806	0.6
61.77066	0.8
61.98813	3.1
65.99847	1.2
68.01370	1.0
68.99812	18.7
96.99306	12.4
99.00889	3.3
122.02484	3.7
124.00401	7.7
134.02519	1.4
136.04004	1.4
146.02473	0.8
148.04041	1.4
150.05624	0.8
162.01932	1.4
163.02711	1.0
164.03545	1.1
176.03525	5.9
184.02568	1.2
188.03491	0.9
190.05116	0.8
192.02975	1.9
192.10240	0.7
204.03021	0.7
205.03796	1.7
207.01663	1.1
218.04620	1.7
219.17563	1.1
220.02505	13.4
234.00403	0.9
248.01888	1.4
249.02858	1.1
260.16718	0.8
267.04037	0.8
280.04559	6.4
290.10263	0.8
300.16302	0.7
314.21249	0.9
316.19196	2.2
329.19958	4.7
330.20645	3.1
332.22296	12.7
342.20795	1.8
344.22226	2.9
357.19333	3.2
358.20041	1.8
371.07153	1.5
371.20950	2.9
372.21780	7.5
387.20419	2.5
398.19937	0.9
402.22855	1.4
415.19870	1.5
430.22266	21.5
431.22998	1.2
439.69308	0.8
471.34756	0.9
472.34857	1.1
490.24438	100.0
490.36118	5.5
491.24805	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	490.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
69.54619	0.7
69.54988	0.4
74.21061	0.2
74.74711	0.2
80.91691	0.4
91.86622	0.2
98.22622	0.4
100.57426	0.2
154.91507	0.2
200.89572	0.2
350.20767	0.3
351.21313	0.9
408.24716	0.4
427.28857	0.3
433.13245	0.5
490.16718	0.6
490.23526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52785	1.0
54.46252	1.0
57.03444	10.6
59.01376	18.1
61.98822	3.1
71.01373	6.9
71.06487	1.2
73.02940	1.5
75.00845	1.2
81.03464	2.4
83.01369	6.6
85.02944	2.4
89.02423	4.8
93.03457	1.6
93.89877	1.2
101.02452	3.0
107.01398	1.2
108.02180	1.3
109.02940	16.0
111.00859	3.2
113.02443	2.8
118.98022	1.1
119.03492	1.5
121.02940	3.3
122.03726	1.1
123.04491	3.1
124.01659	19.2
125.02439	100.0
126.02712	1.3
135.04510	3.5
136.62857	1.0
137.02443	39.8
139.00363	1.9
139.03973	6.3
140.01128	3.1
145.02946	24.8
146.03706	1.8
149.02403	8.1
150.03200	4.1
151.03947	2.0
152.01140	3.2
153.01941	11.9
159.04492	10.0
161.02429	3.0
161.04735	1.3
161.06038	7.6
163.07671	1.7
164.01097	1.8
165.01917	4.7
168.00620	35.8
175.03928	2.4
177.01959	1.7
179.03381	1.6
183.02975	62.4
183.04402	2.9
184.03229	1.4
185.06096	7.4
187.03999	5.7
191.03424	1.5
191.07114	1.8
192.00647	6.0
193.05023	1.7
195.02957	3.4
201.05507	3.1
203.03392	4.2
203.07155	9.0
204.04210	2.0
205.05002	2.4
206.02203	1.7
207.02954	5.3
209.06013	2.8
211.04004	1.4
227.03438	1.6
227.07100	5.1
229.05017	1.9
230.02200	2.2
235.06149	3.7
245.08182	3.4
253.05089	11.9
255.05095	7.3
265.37158	1.3
269.13770	1.9
269.17575	2.8
271.06100	63.6
272.06485	2.6
289.07153	15.5
290.04266	3.2
293.08704	1.4
294.03897	1.1
305.06628	14.7
317.06833	2.3
329.13898	1.4
345.06207	1.4
393.09723	3.2
411.10834	4.5
431.22769	4.9
455.09796	55.2
456.10059	2.1
491.12448	1.9
491.18912	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	491.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03442	12.9
59.01381	10.1
66.61437	0.7
69.23284	1.5
69.23679	2.4
71.01386	9.2
72.99306	1.6
73.02601	0.6
73.02920	3.5
75.00847	0.8
81.03452	1.8
83.01381	5.4
85.02946	4.9
87.00871	1.8
89.02446	1.3
95.01419	1.0
95.05020	1.6
98.21828	1.3
99.00871	1.0
101.02454	5.7
105.03448	4.5
108.02156	0.6
113.02451	2.9
123.00864	1.3
123.04578	0.7
124.01636	1.1
125.02442	100.0
126.02761	1.1
137.02426	4.4
149.02405	0.8
152.01144	1.1
161.02441	42.7
162.03241	0.9
165.01938	1.7
167.03499	5.8
177.05525	3.4
179.03461	1.0
201.05565	2.3
219.06622	1.1
225.14967	2.0
227.03618	0.7
235.13467	1.4
243.06706	0.9
253.14569	1.3
269.04614	3.0
287.05585	23.5
305.06815	3.6
369.19186	1.2
387.20111	6.5
415.19699	41.7
416.20282	1.3
429.21317	2.0
447.22305	16.2
455.09747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.5
59.01379	15.4
60.01710	0.5
61.98819	2.9
69.35514	2.0
70.76426	0.5
70.81110	0.6
71.01380	5.2
72.99327	0.7
73.02943	2.0
75.00860	1.3
77.30931	0.5
81.03458	1.6
83.01386	3.7
85.02941	1.8
86.20118	0.6
88.98808	1.1
89.02442	2.4
95.05015	1.3
95.80836	0.5
101.02429	3.5
105.03480	4.0
108.02168	3.8
109.02940	5.4
113.02407	1.3
118.98064	1.2
119.03459	0.6
121.02895	0.6
123.04478	2.6
125.02444	100.0
126.02790	1.6
133.02922	0.9
134.03787	0.9
135.04517	0.8
137.02449	5.2
140.36000	0.6
145.02997	0.8
149.02408	1.5
149.04494	0.6
151.04041	0.5
152.01154	4.4
153.01926	3.7
157.42517	0.5
160.01654	2.2
161.02443	42.9
162.02960	1.2
165.01913	1.7
165.05550	0.7
166.02661	0.7
167.03497	4.1
169.01431	0.9
175.03993	3.0
177.01933	1.6
177.05568	4.0
179.05560	0.7
181.82336	0.5
183.02971	1.3
193.05051	0.7
197.06032	0.7
198.03244	0.7
199.03970	1.3
201.01952	1.0
201.05603	2.0
203.03539	0.8
205.60840	0.6
212.49332	0.6
213.05562	0.8
214.02654	0.6
219.06677	1.2
225.05576	1.1
226.02698	2.6
227.03526	3.2
229.01334	1.0
242.02214	1.1
243.02986	3.7
243.06572	1.3
253.01376	0.9
269.04623	4.4
269.17688	0.7
270.01590	3.3
271.02432	5.4
285.04028	6.7
287.05600	29.0
288.05823	0.7
289.07172	2.2
299.01965	4.7
302.76450	0.6
312.02856	0.7
313.03558	12.9
314.04147	2.4
315.07312	1.5
317.06622	0.8
328.02213	0.6
328.05780	2.5
329.06479	0.9
343.04480	1.2
431.22897	4.1
450.57779	0.6
455.09924	3.1
456.10745	0.5
461.07199	7.9
476.09546	4.9
490.23032	0.5
491.11929	40.6
491.23779	1.7
492.12122	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	491.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
59.01376	14.7
61.98829	4.5
63.52615	0.6
71.01379	4.9
72.99278	0.8
73.02924	2.4
75.00859	1.2
76.50755	0.6
81.03426	0.7
83.01371	1.5
85.02940	2.0
88.98818	3.9
89.02451	4.0
95.01354	0.7
97.39511	0.6
99.00822	0.7
101.02454	3.7
105.03446	0.9
108.02182	0.8
109.02956	0.6
113.02434	1.8
120.55840	0.7
123.00876	0.7
123.04491	0.9
124.01717	0.6
125.02442	27.0
135.04518	0.7
137.02420	2.4
149.02406	0.9
152.01129	1.0
153.01903	1.0
160.01570	1.1
161.02444	14.6
161.04515	1.4
167.03481	2.0
169.01433	1.0
175.03932	0.7
177.01898	0.9
177.05559	1.1
179.03432	0.8
185.02510	0.7
193.44722	0.6
198.03148	1.7
199.04001	1.2
200.01175	0.8
202.02753	0.8
209.08154	1.0
214.02682	0.7
226.02692	11.0
227.03503	6.9
241.05046	0.7
242.02141	2.8
243.02931	10.0
253.01337	1.7
258.61301	0.6
269.04486	1.8
269.17514	1.1
270.01675	11.5
271.02475	16.1
281.06693	0.8
284.03192	1.6
285.04034	16.8
286.04147	0.9
287.05591	7.9
289.07272	0.8
299.01968	17.5
300.02402	1.3
312.02747	1.3
313.03531	34.5
314.04282	5.8
315.04645	0.8
327.05032	1.9
328.02188	1.5
328.05798	6.7
329.06656	4.1
329.69473	0.6
343.04575	3.6
389.08319	0.8
415.20050	0.9
431.22821	5.7
447.22440	1.2
461.07251	20.9
462.07883	0.8
475.08655	0.8
476.09546	14.6
491.11911	100.0
492.12198	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	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61494	0.3
57.23563	0.4
59.01099	0.5
59.01376	3.6
59.19593	0.3
61.98822	1.1
65.00294	0.4
69.29612	1.3
71.01385	0.9
73.02957	0.7
83.01355	0.4
85.02951	0.5
89.02448	0.7
98.22617	0.5
101.02413	0.5
108.02160	0.5
109.02940	0.4
111.00830	0.4
118.82555	0.3
121.02880	0.5
122.03690	0.5
125.02445	1.0
136.01662	2.0
137.02423	0.9
137.06122	1.7
138.03174	0.5
148.01608	0.4
149.02470	0.6
149.99619	0.3
151.03979	0.3
152.01201	0.4
161.02412	1.6
162.03209	1.0
163.00305	0.6
163.03983	0.4
164.01140	8.2
165.01884	1.4
166.02617	0.5
177.01933	0.9
178.99844	2.9
181.05023	1.9
189.01962	0.5
190.02690	2.5
192.00642	100.0
193.01393	21.3
194.02182	2.0
198.82323	0.3
205.01357	2.1
205.04877	0.3
206.02153	1.5
207.02977	53.2
208.03326	1.5
209.04588	0.4
221.00871	0.6
222.01715	1.3
223.06175	0.4
232.03850	0.9
234.01672	7.1
235.02318	2.1
237.04178	0.8
249.03957	3.7
276.02682	0.5
294.03665	0.7
309.06244	2.3
476.09662	2.3
491.11960	26.4
491.28207	1.0
492.12253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87877	0.7
59.01375	14.5
61.83191	0.6
61.98836	3.5
71.01379	6.3
73.02949	1.7
75.00854	0.8
85.02939	1.4
89.02449	5.5
91.05555	0.7
93.03459	16.2
101.02430	3.2
103.05535	8.1
108.58208	0.8
109.02907	1.0
113.02425	1.3
121.02970	0.8
123.04534	1.1
125.02444	2.5
131.03484	1.1
135.04509	1.3
137.02435	44.8
137.06050	1.8
138.03101	0.7
147.04518	10.9
147.08127	1.2
148.01505	0.7
149.04617	1.5
155.02652	1.0
155.10802	1.1
161.02422	1.0
161.06116	1.2
162.03218	3.1
163.04024	4.4
164.01083	1.2
167.03535	0.7
174.44640	0.7
175.03937	0.6
181.01413	1.6
182.02321	0.7
189.05508	1.1
190.02620	1.0
191.03491	100.0
192.00610	10.8
192.03967	1.0
193.01398	4.6
193.05072	1.6
194.02170	2.2
196.03688	0.8
197.04547	1.1
205.01389	1.1
206.02095	0.8
207.03011	4.9
210.39384	0.7
216.78444	0.8
222.01620	0.8
224.03171	1.1
225.03987	0.9
233.04529	1.7
233.06662	0.8
234.01581	3.3
237.04056	0.9
239.05582	2.2
249.04060	3.5
281.06708	1.4
293.08755	2.0
299.07675	14.8
475.01767	0.8
476.09439	1.9
491.12036	3.0
491.28796	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	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89948	0.9
57.03446	1.0
59.01379	26.5
61.98826	5.1
63.21835	0.9
71.01376	9.8
71.45598	1.0
72.99305	1.4
73.02943	3.4
75.00863	3.6
83.01385	1.9
85.02953	4.9
87.00893	1.9
88.98813	1.9
89.02435	7.9
99.00853	1.5
101.02464	6.3
107.08023	0.8
113.02448	4.0
118.98085	2.3
121.02911	1.1
125.02464	5.1
131.03503	1.0
137.02409	2.2
137.06087	1.1
149.02399	1.1
150.03220	1.0
151.00389	2.3
161.04536	2.9
161.05960	1.0
163.00455	1.2
169.01384	0.8
174.03235	1.3
175.03854	0.9
200.31706	0.9
202.02708	2.0
203.03606	1.1
213.01939	2.5
214.02686	1.9
215.03450	1.5
219.06367	0.9
230.02136	5.1
241.01414	10.4
242.02190	21.6
242.04530	1.7
243.02893	6.2
257.00851	2.3
257.04547	1.0
258.01678	22.1
259.02499	2.3
269.00836	4.1
270.01630	10.6
271.02454	4.0
272.03250	3.2
273.04022	30.5
274.01260	1.1
274.04480	1.0
285.03946	1.5
286.01178	15.5
287.01993	4.7
287.05652	7.5
298.01163	1.5
298.11209	1.0
299.01895	2.1
300.02725	1.8
301.03497	26.1
311.09152	2.2
313.03494	2.3
314.00653	1.9
314.04181	1.0
315.01440	11.3
315.05124	4.3
316.02228	1.5
316.05820	9.3
326.11636	1.7
328.05881	1.1
329.03015	29.6
329.06302	1.4
329.16016	1.8
330.03778	10.9
341.13925	3.5
344.05344	56.1
345.06100	54.1
346.06473	1.8
359.14920	4.0
371.11249	1.8
387.07620	1.3
409.67374	1.0
431.22821	3.8
447.22791	1.3
491.11960	100.0
491.19467	9.1
491.28445	5.0
492.12198	6.5
509.37592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.5
59.01376	11.5
61.98829	7.2
69.03433	0.7
71.01385	4.8
71.43714	0.7
71.44087	0.6
73.02939	1.9
75.00880	1.4
83.01383	0.8
85.02943	2.3
89.02448	1.8
93.03464	4.2
95.01346	0.6
97.02975	0.6
99.00903	0.6
101.02427	3.9
107.96857	0.5
113.02427	2.1
113.06075	0.9
123.04534	3.6
125.02444	9.1
137.02444	11.2
143.65321	0.5
151.00359	1.3
161.02440	8.1
161.04530	1.3
165.05576	3.7
167.03441	0.9
169.01413	0.6
177.01913	0.7
183.04529	0.6
185.02406	0.8
187.00386	0.8
199.04001	1.1
202.02757	0.6
203.03563	2.9
207.13960	1.4
227.03519	10.4
227.12788	0.9
229.01358	1.9
230.02136	1.6
242.02397	0.8
243.02853	2.6
258.01709	3.9
259.02316	0.6
269.17557	2.8
270.01740	1.1
271.02478	16.4
272.02878	0.8
285.04031	2.3
286.01181	9.3
286.04297	0.8
287.01901	1.3
299.01959	58.8
300.02594	4.3
301.03558	5.1
313.03516	5.5
314.01086	2.5
314.04300	62.5
315.01318	2.0
315.04938	5.2
328.65527	0.7
329.02966	26.9
329.06638	100.0
330.03860	3.5
330.06833	3.6
344.05457	4.5
345.06027	3.7
389.12589	0.6
431.22745	1.6
491.11914	26.7
491.28357	1.1
492.12152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01378	16.7
61.98830	9.6
69.19892	4.1
71.01376	5.8
72.99285	0.7
73.02937	1.7
75.00858	1.6
79.05515	0.7
81.03453	0.7
82.95418	1.0
83.01390	1.6
85.02958	3.2
89.02435	2.4
93.03458	3.5
98.22637	1.2
101.02425	3.9
113.02452	2.4
113.06060	0.9
121.06574	0.7
123.04517	3.8
125.02440	12.8
137.02448	12.8
142.59891	0.7
151.00308	1.3
161.02461	8.7
161.04604	1.9
165.05585	4.7
167.03455	1.2
176.35425	0.6
177.01917	0.7
183.04436	1.2
185.02396	1.5
187.00467	0.7
188.70160	0.6
192.07990	0.6
192.48410	0.6
203.03586	3.7
203.05383	1.1
207.06619	0.8
207.13893	3.4
227.03511	11.2
227.12868	1.8
229.01411	1.3
230.02190	1.5
243.03014	1.2
247.39236	0.8
255.03035	0.8
258.01645	3.8
268.73819	0.8
269.17548	2.8
270.01736	1.1
271.02487	15.7
272.03125	1.1
285.03958	2.8
286.01135	8.0
299.01953	60.2
300.02493	4.2
301.03555	3.8
313.03458	4.3
314.01300	2.4
314.04300	60.3
315.01285	1.7
315.04889	5.7
329.02954	26.3
329.06638	100.0
329.15585	2.4
330.03552	4.1
330.07080	3.5
338.29312	0.7
344.05466	4.0
345.06104	3.2
372.05029	0.7
431.22949	1.7
453.17752	1.4
455.18851	1.1
491.11923	27.2
491.22495	1.5
491.28519	2.0
492.12280	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98811	1.0
69.52832	0.9
69.53233	0.8
71.01379	0.9
75.00831	0.3
85.07264	0.3
89.02441	1.0
91.05525	1.2
93.03487	0.4
101.02431	0.5
103.05527	9.6
107.05016	0.4
113.02440	0.4
119.04991	1.0
125.02425	0.8
135.04530	1.8
135.61380	0.3
137.02483	0.3
137.06067	1.4
145.09258	0.3
147.04506	10.7
153.05588	0.4
154.25264	0.3
155.41759	0.3
162.03214	3.3
163.04002	3.7
167.03535	0.7
176.01138	0.5
189.01953	0.4
189.05580	0.8
190.02676	0.5
191.03487	100.0
192.00691	0.6
192.03842	2.4
193.05072	0.4
193.48846	0.3
197.04486	0.6
233.04498	1.3
239.05618	1.1
293.06726	0.6
447.22223	0.6
448.22501	0.7
491.11984	0.9
491.28906	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20575	1.0
55.01873	4.4
57.03444	5.2
59.01379	32.3
61.98539	0.9
61.98821	7.3
65.00320	2.9
69.03455	1.6
71.01380	17.3
72.99311	3.3
73.02963	5.5
73.03305	1.2
75.00860	2.2
81.03442	1.7
83.01392	5.1
85.02947	8.6
87.00877	2.3
89.02434	8.4
93.03437	2.2
95.01385	3.0
99.00895	2.2
101.02448	12.6
105.07104	1.9
107.01379	4.7
107.05041	8.1
108.02155	10.2
109.02208	2.1
109.02954	38.7
110.25982	1.0
111.00861	3.9
113.02454	6.1
117.07107	1.3
119.03496	2.5
119.08667	3.5
121.02979	2.3
121.06590	2.0
123.00835	2.5
123.04504	3.4
124.01676	7.6
125.02444	36.4
125.63873	0.9
129.07094	3.7
133.02957	1.3
134.03725	1.9
135.04529	24.1
136.01665	1.0
137.02431	10.7
139.00320	1.0
139.04041	1.8
145.02940	5.9
145.06538	1.9
147.04532	2.2
147.08144	3.7
148.05276	3.8
149.02440	3.6
149.06058	6.1
151.00378	22.0
151.03986	2.4
152.01158	14.3
153.01939	50.9
154.02260	1.5
158.03711	3.7
159.04497	4.2
161.02426	5.1
161.04570	4.1
161.06078	11.1
162.03165	4.0
163.07639	21.7
164.03464	1.8
165.01910	2.2
165.05539	1.2
167.03482	2.7
168.00648	7.0
169.01437	1.9
173.06073	19.2
175.03966	2.2
175.07594	3.0
176.04803	7.6
178.62703	1.0
179.05615	2.1
183.03012	10.1
185.06003	1.1
187.03986	1.3
188.04788	3.6
189.05556	6.7
190.06361	1.5
191.07138	29.2
192.00603	3.1
192.07428	1.1
193.05025	2.9
195.02979	63.2
201.05534	2.7
203.03456	1.8
203.07141	15.0
207.03094	1.0
207.06625	11.7
217.05109	1.8
221.08334	1.5
225.04022	15.4
235.06111	68.3
236.06580	2.4
249.14893	1.2
253.05112	3.4
255.05087	100.0
256.05423	3.6
265.07141	8.1
269.17508	1.5
271.06122	12.4
277.07269	2.1
281.08163	1.9
287.05618	26.7
290.04425	1.2
293.08765	1.3
299.09012	1.1
305.06564	3.6
307.15186	1.2
311.15308	2.0
314.11661	1.6
327.07431	1.4
329.13828	2.0
387.20251	3.0
415.19659	16.5
423.55664	1.1
431.23575	6.2
447.22208	7.4
455.09726	11.5
460.88174	1.2
476.16422	1.5
491.11859	26.0
491.19608	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	491.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01377	1.9
61.98840	3.1
71.00555	0.4
71.01388	0.6
82.74207	0.4
87.79823	0.3
95.01399	0.5
100.40145	0.3
108.02170	5.4
122.02994	0.3
122.03721	2.0
125.02498	0.4
135.04556	0.4
136.01678	1.0
136.05298	2.8
150.03200	0.5
163.04062	0.8
164.08423	5.0
171.10219	0.5
191.07156	0.5
192.07928	10.4
207.10252	100.0
208.10587	2.3
211.13393	0.9
229.14439	1.8
243.05173	0.3
293.21271	0.6
311.22476	0.4
329.23224	1.6
491.22198	0.6
491.28629	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	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.9
60.56500	1.0
61.98816	1.4
69.09954	6.5
71.01379	2.7
79.30305	1.0
81.03445	2.7
83.01362	1.7
83.04548	0.9
89.02470	1.1
94.53728	0.8
95.05045	1.5
97.02908	1.2
103.41167	0.9
105.07142	1.2
107.04998	1.0
108.02154	1.9
109.02982	1.7
115.40322	0.9
119.04994	1.0
121.06589	1.9
123.00879	1.5
123.04527	8.6
125.02436	4.0
133.06596	2.9
135.04500	7.7
136.05331	8.6
137.02502	1.2
137.06073	10.8
139.03929	1.2
141.01929	1.2
145.06613	2.4
147.04546	2.4
149.06073	22.3
151.04007	13.8
151.07637	20.2
151.08774	1.8
159.04622	1.1
161.06123	6.8
162.03262	2.1
163.04027	12.1
163.07672	2.2
164.04811	11.3
165.05557	16.7
166.05876	1.1
167.03490	8.9
174.03329	1.0
175.03813	1.6
177.02037	4.5
177.05551	16.8
179.03484	4.9
179.07123	9.7
185.00960	1.0
189.05597	9.3
190.02620	1.5
191.03511	5.0
191.07101	1.9
193.05040	3.0
195.06635	1.7
203.03552	1.5
205.05093	7.3
207.06612	58.4
209.04506	16.8
219.06635	1.5
221.04521	15.7
233.04544	23.4
237.07695	5.7
239.05600	3.2
251.05603	22.6
263.05603	2.4
275.05618	2.9
281.06638	14.1
293.06635	1.5
311.07666	4.1
327.10858	6.0
341.08789	3.4
353.08716	3.5
371.09808	48.0
372.10220	1.1
401.10791	4.8
409.06384	1.8
431.04004	1.3
473.12924	1.6
491.14047	100.0
492.14392	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	491.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.1
70.78622	1.0
71.01378	0.8
81.03457	6.0
83.01363	4.8
89.02409	0.7
93.03471	1.1
95.01389	0.8
95.05031	7.5
97.02949	1.8
97.55008	0.6
99.04502	2.3
102.38596	0.6
108.02144	0.8
109.02943	0.7
111.04536	0.8
113.02435	0.8
122.03812	0.8
123.00935	0.8
123.04522	11.0
125.02444	15.6
135.04553	0.9
137.02417	1.1
137.06087	13.7
139.04027	2.7
141.05556	1.2
149.02432	1.3
161.06044	0.9
163.03961	1.4
165.05576	4.1
165.06773	0.8
167.03493	31.8
169.01390	1.2
177.05559	1.3
179.03496	5.6
180.04248	3.1
181.05063	2.1
191.03519	8.4
192.00647	1.5
192.59259	0.6
193.01436	1.0
193.05008	1.0
197.04550	0.8
205.05051	4.0
207.02966	1.8
209.04539	100.0
210.04942	2.6
221.04539	3.6
223.05991	0.9
233.04544	19.8
234.04971	0.8
239.05559	6.7
249.06041	0.7
251.05589	6.2
263.05569	2.2
281.06619	13.0
293.06671	1.3
311.07715	6.2
311.65598	0.7
353.08688	0.8
371.09790	86.0
372.10144	2.2
373.13464	0.6
383.09711	0.8
384.63623	0.6
401.10641	4.1
491.13937	12.7
493.90491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38772	1.0
59.01378	3.1
67.50266	0.9
70.49853	1.8
73.02929	1.4
79.90800	0.9
81.03465	6.2
83.01377	8.0
84.84368	1.1
85.02989	1.2
93.03465	1.8
95.01411	1.9
95.05023	3.1
97.02939	2.3
99.04486	1.2
109.02937	1.8
111.04518	1.7
113.02414	1.5
119.05067	1.6
121.02924	1.8
123.04537	13.9
125.02468	7.6
135.04527	2.8
137.02429	3.8
137.06076	8.6
139.04013	6.0
147.04460	1.2
151.04021	2.4
161.06020	1.5
161.43350	1.0
163.03989	3.5
164.04774	1.1
165.01958	1.9
165.05530	4.1
167.03484	22.5
177.05624	1.5
179.03543	6.1
179.23077	1.0
181.05087	2.9
189.05518	1.4
191.03395	1.5
193.05055	4.0
197.04591	3.3
209.04541	37.8
210.04860	1.1
221.04506	10.0
223.06105	2.2
233.04550	1.2
235.06099	2.6
239.05621	13.2
248.03305	1.3
251.05594	100.0
252.05943	1.5
263.05701	4.7
281.06644	63.8
282.06885	1.3
293.06696	4.6
311.07773	17.7
323.07736	1.3
353.08850	6.5
365.08594	1.3
369.54248	1.0
371.09778	18.5
383.09879	3.2
392.81021	1.1
401.10794	1.7
473.13190	1.8
491.14050	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	491.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
67.95171	1.0
68.99723	1.2
69.39964	5.8
71.01376	18.8
73.02946	33.0
75.00879	2.1
83.01391	5.5
85.02947	4.3
87.00871	1.3
89.02438	11.0
98.21853	2.0
101.02440	29.0
113.02445	13.4
119.03490	6.4
123.90829	1.2
124.07676	11.3
125.02465	6.1
131.03517	2.7
137.09714	8.3
143.03456	2.6
147.69768	1.0
149.04541	4.5
161.04539	12.5
189.12885	1.7
203.05533	2.6
221.06621	3.6
243.12442	1.9
243.14963	1.1
243.68628	1.1
256.78189	1.1
272.19864	1.1
287.14050	14.0
294.55167	1.1
329.14746	1.5
411.19763	1.3
431.22559	5.3
491.23367	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	491.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28255	0.8
57.03454	0.9
59.01379	100.0
61.98814	1.7
71.01382	13.7
72.99339	1.0
73.02946	20.4
75.00874	1.1
83.01385	4.5
85.02964	3.6
87.00863	1.3
89.02437	7.4
90.18872	1.0
95.01415	1.8
98.21812	2.0
101.02446	21.3
105.54408	0.7
109.75646	0.8
113.02453	12.2
119.03514	3.7
121.02993	1.1
123.04472	0.8
125.02448	2.6
131.03516	2.7
137.09726	4.9
143.03503	2.7
149.04558	4.5
151.37701	0.8
153.09413	1.1
161.02409	1.1
161.04564	11.2
167.03510	1.1
177.35538	0.9
179.05618	1.1
203.05605	1.4
221.06729	3.1
250.41534	0.8
269.08069	1.0
271.63702	0.9
283.09619	1.1
311.09213	1.0
340.09421	1.4
343.11859	5.1
355.11905	2.7
371.20544	1.8
411.20135	1.0
419.22769	1.9
431.22714	3.3
491.25043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77753	0.5
57.03444	7.7
59.01377	100.0
61.98836	1.3
69.03446	1.2
69.21913	1.0
69.22297	1.3
71.01376	14.6
73.02949	6.4
75.00876	1.1
75.10193	0.5
81.03474	0.6
83.01392	2.2
85.02943	2.9
88.98840	0.7
89.02422	3.4
95.01425	0.5
98.22598	1.1
99.00881	1.6
101.02448	6.9
109.06536	0.7
113.02441	3.0
116.27516	0.6
119.03505	0.8
125.02468	4.2
137.02484	1.7
137.09789	1.7
141.69650	0.5
161.02505	1.0
161.04553	2.6
165.05664	0.9
192.11583	4.0
203.03741	1.3
203.05600	12.2
207.13896	27.7
208.14247	0.9
227.03584	1.5
230.02199	0.6
258.01819	1.7
270.02148	0.6
271.02570	2.0
283.09787	1.2
286.01154	3.1
299.01965	7.2
300.02698	0.9
301.03537	1.6
308.12973	0.5
311.09290	2.0
313.03378	0.7
314.00931	1.3
314.04260	8.2
315.01581	0.8
315.04910	0.8
325.11060	0.5
326.11646	1.3
329.03046	13.1
329.06754	14.3
329.16263	0.8
330.03726	2.2
341.14105	2.1
344.05396	1.8
345.06207	1.8
419.23178	0.8
431.22769	1.6
447.22565	0.8
453.74930	0.6
455.19858	0.9
491.12021	10.3
491.28210	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	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60861	0.9
57.03438	6.6
59.01378	100.0
61.65026	0.9
61.98821	3.4
69.22498	5.2
71.01011	1.2
71.01382	15.8
73.02946	7.9
75.00861	1.7
83.01377	3.8
85.02940	3.0
86.50828	1.0
89.02463	2.3
98.71497	1.0
98.87901	1.2
99.00896	1.5
101.02450	7.2
109.02956	1.1
109.06543	1.1
113.02438	2.7
116.87612	0.9
119.05052	1.0
125.02458	2.0
137.09666	1.6
138.53467	1.0
153.12814	0.9
156.27367	0.8
161.04472	1.2
192.11548	4.1
203.05598	11.7
207.13910	29.5
424.78421	1.0
431.22580	1.6
447.22363	11.8
506.06888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15374	0.8
52.49006	0.8
55.01872	1.3
57.03449	10.7
59.01378	52.4
61.98852	1.0
69.03442	1.2
69.37886	2.0
69.38277	2.0
71.01379	21.0
72.99299	3.9
73.02956	4.4
75.00869	4.9
79.64319	0.8
81.03410	1.1
83.01380	2.8
83.04992	0.9
85.02955	10.4
87.00866	3.9
88.07042	0.9
89.02440	11.9
95.01404	1.6
95.05022	1.2
99.00871	5.0
101.02459	6.0
103.00375	1.1
105.03470	2.0
109.02949	7.6
111.00874	1.2
113.02450	12.1
117.01985	1.1
119.04987	0.9
123.04480	2.8
124.01699	0.9
125.02441	57.7
131.03418	1.0
133.05235	0.9
137.02449	2.1
137.09721	2.7
159.04495	2.2
161.02437	22.6
161.04530	1.7
166.58522	0.9
167.03445	3.9
172.05293	2.0
173.06013	2.8
175.02597	1.0
177.05553	0.9
179.10716	2.1
181.08655	2.7
187.07628	2.2
189.05577	2.3
193.01309	1.1
194.10696	0.9
197.11815	2.3
199.25523	0.9
201.05528	1.0
203.07025	1.5
225.05585	1.1
241.05081	4.6
243.12344	1.4
249.06166	7.3
255.06657	2.4
267.07214	6.2
268.07162	1.4
269.04584	1.4
281.08200	2.5
283.09619	1.2
287.05621	11.5
295.09692	4.1
296.10440	1.6
299.09259	3.3
305.06622	2.5
311.09131	3.2
313.10815	5.8
315.14368	2.0
321.90460	0.9
325.10696	1.0
326.11481	4.8
329.10202	1.2
332.99268	1.0
341.13889	6.1
343.11737	1.2
344.12634	16.8
345.12866	1.9
354.20728	0.9
359.14984	50.7
360.15204	1.8
408.74637	1.0
415.19708	7.6
429.17398	1.2
431.15463	1.3
431.22717	3.8
447.22327	2.6
473.16483	1.5
491.18347	100.0
492.18866	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01377	27.5
67.33946	0.9
69.18469	1.7
69.18871	3.2
71.01391	1.5
73.02940	2.7
85.02975	1.0
87.59914	1.1
101.02441	1.1
109.05232	1.0
139.11290	16.8
163.11301	1.0
163.21559	1.0
165.09116	1.4
181.12349	8.9
183.10268	18.1
199.13383	8.4
225.11298	6.5
232.73071	1.0
243.12360	100.0
244.12701	3.8
285.13422	3.7
327.07104	1.7
345.07983	1.5
364.12582	1.1
413.88293	1.0
422.25327	1.3
447.18442	7.0
491.18500	1.6
491.25009	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	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09551	0.8
55.01865	1.0
57.03437	4.1
59.01380	60.7
61.98820	2.0
69.03447	1.0
71.01382	23.5
71.43587	0.8
71.43988	0.8
72.99307	4.0
73.02937	5.9
75.00867	10.0
83.01383	2.2
85.02946	15.3
87.00882	7.5
88.98791	2.3
89.02435	9.6
95.01381	5.1
99.00872	7.9
99.04509	3.3
101.02446	8.3
103.00366	1.0
106.49800	1.0
109.06613	1.0
112.27316	0.7
113.01691	1.5
113.02454	24.0
113.03250	1.6
115.00403	1.2
115.03951	0.8
116.92814	1.1
117.01932	1.4
119.03461	1.9
121.02956	1.1
125.02452	4.9
129.01953	1.2
131.03506	1.2
131.07184	0.8
135.08119	1.1
135.11818	1.0
137.02397	1.2
137.09737	5.0
149.04533	1.7
161.04544	3.7
161.09698	1.5
163.07600	2.3
169.01421	2.4
175.02467	2.3
179.05550	1.3
179.10774	5.3
181.08684	3.5
195.97183	0.8
197.11781	2.9
207.02942	1.0
223.09802	1.3
223.16875	0.8
231.05099	1.0
249.06168	5.3
267.07202	13.8
285.04224	0.9
299.11282	1.3
314.04221	2.6
315.14456	2.7
329.06543	2.1
329.10239	3.7
354.49652	1.0
357.14368	1.1
419.22787	2.4
429.17426	2.3
431.15714	7.8
431.22849	8.4
447.22177	2.5
473.16373	2.3
491.17618	100.0
492.17578	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	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.4
59.01381	25.5
68.99809	1.3
69.24168	1.1
70.71957	1.9
71.01380	10.8
71.66215	1.3
72.99306	3.3
75.00875	10.2
85.02938	10.8
87.00874	4.7
89.02444	3.4
95.01367	3.4
99.00884	6.9
99.04512	1.2
103.00365	1.3
113.02453	12.9
115.00377	1.4
117.01913	1.7
119.08649	1.6
119.42367	1.1
136.75713	1.2
137.09711	4.2
152.31035	1.1
161.09741	1.5
161.89513	1.2
163.07689	1.4
179.10736	2.8
181.08699	4.6
197.11783	2.3
241.10786	2.2
244.31467	1.2
249.06140	12.2
267.07202	9.7
315.14459	2.7
321.64328	1.2
429.17749	2.5
473.16623	3.1
491.17664	100.0
492.17938	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	491.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15374	0.8
52.49006	0.8
55.01872	1.3
57.03449	10.7
59.01378	52.4
61.98852	1.0
69.03442	1.2
69.37886	2.0
69.38277	2.0
71.01379	21.0
72.99299	3.9
73.02956	4.4
75.00869	4.9
79.64319	0.8
81.03410	1.1
83.01380	2.8
83.04992	0.9
85.02955	10.4
87.00866	3.9
88.07042	0.9
89.02440	11.9
95.01404	1.6
95.05022	1.2
99.00871	5.0
101.02459	6.0
103.00375	1.1
105.03470	2.0
109.02949	7.6
111.00874	1.2
113.02450	12.1
117.01985	1.1
119.04987	0.9
123.04480	2.8
124.01699	0.9
125.02441	57.7
131.03418	1.0
133.05235	0.9
137.02449	2.1
137.09721	2.7
159.04495	2.2
161.02437	22.6
161.04530	1.7
166.58522	0.9
167.03445	3.9
172.05293	2.0
173.06013	2.8
175.02597	1.0
177.05553	0.9
179.10716	2.1
181.08655	2.7
187.07628	2.2
189.05577	2.3
193.01309	1.1
194.10696	0.9
197.11815	2.3
199.25523	0.9
201.05528	1.0
203.07025	1.5
225.05585	1.1
241.05081	4.6
243.12344	1.4
249.06166	7.3
255.06657	2.4
267.07214	6.2
268.07162	1.4
269.04584	1.4
281.08200	2.5
283.09619	1.2
287.05621	11.5
295.09692	4.1
296.10440	1.6
299.09259	3.3
305.06622	2.5
311.09131	3.2
313.10815	5.8
315.14368	2.0
321.90460	0.9
325.10696	1.0
326.11481	4.8
329.10202	1.2
332.99268	1.0
341.13889	6.1
343.11737	1.2
344.12634	16.8
345.12866	1.9
354.20728	0.9
359.14984	50.7
360.15204	1.8
408.74637	1.0
415.19708	7.6
429.17398	1.2
431.15463	1.3
431.22717	3.8
447.22327	2.6
473.16483	1.5
491.18347	100.0
492.18866	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67235	0.4
52.34047	0.5
55.01878	1.6
57.03445	8.3
59.01379	42.3
61.98823	1.0
69.20879	2.8
70.12293	0.4
71.01380	23.1
72.34282	0.5
72.99300	0.8
73.02940	3.1
75.00897	0.5
78.79263	0.4
81.03504	0.8
83.01377	4.1
85.02946	6.6
87.00883	1.5
89.02446	15.8
91.01920	1.2
99.00948	0.7
101.02445	3.2
105.03443	2.2
108.02173	3.3
109.02953	12.1
113.02443	2.8
119.03508	1.1
123.04520	4.1
125.02448	58.3
126.02805	1.1
131.03564	1.0
133.02942	0.9
137.02444	3.1
139.03891	0.6
149.04568	1.1
149.06187	0.5
152.01189	1.1
158.03748	0.5
159.04526	5.2
161.02443	25.8
162.02951	0.6
167.03516	4.3
171.04532	0.8
172.05304	4.5
173.06090	6.6
177.05565	2.0
185.06039	0.5
187.07591	3.7
189.05608	4.1
190.06361	1.3
191.07156	1.5
197.06107	0.9
197.11951	0.7
201.05577	2.1
203.07164	2.1
205.08774	0.5
207.84682	0.5
213.05563	0.5
217.08713	0.5
219.06616	1.3
225.05606	0.6
240.04298	1.4
241.05038	8.6
242.05495	0.6
243.06532	0.6
253.05110	2.1
255.06619	5.7
263.07153	0.6
264.07568	0.7
265.08606	0.5
267.06607	2.2
268.07373	3.1
269.04526	1.8
269.08224	1.8
269.17627	1.4
279.06726	1.4
280.07455	2.0
281.08243	5.1
283.09811	2.1
287.05612	12.6
295.09756	8.2
296.10544	3.7
298.08469	1.1
299.09293	4.9
305.06711	2.3
311.09299	7.7
311.12912	1.1
313.10788	11.5
314.11380	0.8
325.10864	1.2
326.11633	7.9
327.12317	1.3
329.10287	3.6
341.13931	11.9
342.14478	0.6
343.11829	2.0
344.12637	35.0
345.13040	1.5
359.14978	88.8
360.15305	3.2
431.22925	1.7
447.22421	0.8
476.16852	0.6
491.19229	100.0
492.19608	5.3
493.59180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22660	0.7
55.01863	0.9
57.03436	3.5
59.01380	40.9
69.35126	3.5
70.62634	0.7
71.01008	1.4
71.01382	20.0
72.99316	1.7
73.02934	3.1
75.00871	3.3
75.01273	0.9
85.02947	7.6
87.00876	2.3
89.02450	11.0
95.01402	1.0
99.00864	3.0
101.02447	2.4
108.02166	1.8
109.02943	8.1
113.02476	5.5
119.08665	1.1
123.04546	2.4
125.02455	9.3
131.03441	0.9
137.09741	2.5
159.04529	3.0
161.02481	4.1
172.05283	2.4
173.06065	4.5
179.10660	0.9
181.08643	1.1
185.06032	0.8
187.07645	3.5
189.05562	1.5
191.07187	1.2
201.05580	0.7
203.07065	1.6
217.08667	0.9
240.04312	1.4
241.05043	5.8
249.06114	3.9
253.05034	2.2
255.06616	3.4
267.07010	3.3
268.07324	2.5
269.08206	1.0
279.06491	1.4
280.07303	1.7
281.08112	2.9
283.09720	2.1
287.05621	1.8
295.09827	4.8
296.10507	2.0
299.09204	3.8
311.09235	5.1
311.12564	1.3
313.10831	6.8
315.14560	1.6
325.10843	1.5
326.11667	5.3
329.10391	1.9
341.13977	10.0
343.11780	1.3
344.12604	20.3
359.14981	66.1
360.15430	1.6
415.19669	1.2
447.22925	1.0
491.18787	100.0
492.19315	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	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.2
58.00589	1.9
59.01378	100.0
61.98833	5.2
71.01382	38.6
72.99314	3.4
73.02946	10.2
75.00875	2.3
83.01388	3.7
84.95171	1.2
85.02506	1.3
85.02932	7.3
87.00876	2.1
89.02446	51.8
95.05023	1.7
99.00916	3.5
101.02439	13.7
101.03018	1.6
101.28401	1.2
109.02913	2.1
113.02445	10.4
118.98105	3.7
119.03506	2.1
121.02962	4.0
122.03757	3.4
123.04539	1.5
125.02457	2.6
131.03493	6.1
135.04526	3.1
136.04773	1.5
137.02438	2.1
145.02983	2.7
147.04439	2.5
149.04552	8.3
150.03204	1.3
160.05286	1.8
161.02461	1.9
161.04704	1.2
161.06093	4.0
162.03244	1.6
163.04027	3.2
177.05605	1.7
178.06329	7.3
178.12141	1.3
189.05537	1.7
192.07915	2.2
202.02725	1.5
224.04797	1.8
230.02136	1.7
238.06425	1.9
241.01424	2.5
242.02213	8.3
243.02954	2.5
255.10284	5.1
257.70276	1.5
258.01694	6.9
266.05939	2.2
267.10251	1.4
269.11850	1.4
270.01660	4.9
270.12659	1.8
271.02484	1.7
273.04028	9.6
283.09726	20.8
284.10526	1.6
286.01111	4.9
287.05634	2.2
295.09570	1.9
296.10721	1.5
297.11621	1.8
298.12070	2.8
301.03589	9.9
310.11987	1.9
311.09247	48.1
312.09644	3.2
313.03528	1.4
315.01492	3.8
315.05109	1.4
316.05862	3.3
321.21252	1.4
325.10678	2.9
326.11572	31.8
326.15274	2.3
328.05792	1.8
329.03085	10.9
329.06723	2.1
330.03748	4.9
341.13901	63.9
342.14325	2.6
344.05444	17.1
344.12549	5.3
345.06155	19.8
359.14981	33.8
419.22867	14.7
431.22711	10.8
447.22308	15.3
491.11865	38.7
491.19214	47.4
492.12430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44041	0.6
59.01395	0.6
61.98823	0.8
65.86023	0.5
70.68124	0.7
78.95898	49.1
89.99084	0.6
96.96952	7.5
106.98457	0.6
125.02394	0.6
136.91783	3.5
150.98009	2.2
152.99580	100.0
171.00604	3.5
184.30168	0.7
210.95509	3.8
279.23279	1.1
349.52454	0.7
411.32840	1.1
433.23553	20.1
433.76666	0.6
455.31653	13.7
491.19385	17.9
491.30911	1.5
492.19229	0.8
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
59.01377	82.9
60.95164	1.3
61.98837	2.7
65.04153	1.4
69.03439	2.1
69.37580	5.9
71.01377	37.1
73.02943	54.1
75.00877	1.7
83.01377	12.3
85.02964	4.4
87.00871	2.1
89.02436	10.5
99.00858	1.7
101.02439	26.6
111.83215	1.3
113.02461	8.9
119.03484	4.4
125.02457	2.4
131.03525	1.7
139.11188	1.8
149.04567	3.5
153.12798	8.5
161.04555	6.1
161.89485	1.7
199.13356	5.9
203.05711	2.4
207.13911	5.1
222.58275	1.5
225.14893	5.1
251.34315	1.4
387.20178	4.1
405.21164	6.7
431.22482	1.6
431.83041	1.6
447.22327	100.0
448.22580	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
53.62230	1.0
59.01378	100.0
61.98827	2.1
71.01379	29.1
72.99302	3.2
73.02942	6.1
75.00879	3.0
83.01402	2.6
85.02938	5.2
89.02441	39.7
101.02434	9.8
113.02445	6.3
118.98080	2.7
119.03524	2.2
121.02972	1.7
122.03736	2.4
125.02460	1.4
129.05649	1.0
131.03510	4.4
135.04546	1.6
137.09732	1.2
145.02982	1.6
149.04527	5.8
155.10796	3.7
160.05278	1.2
161.04517	1.5
161.06102	1.3
163.04001	2.4
166.82216	1.0
175.07713	1.1
177.05530	1.1
178.06360	4.1
199.09787	1.4
224.04770	2.2
238.06308	1.5
241.01263	1.0
242.02257	2.2
242.47009	1.1
253.56622	1.2
255.10242	3.7
258.01611	1.9
266.05853	1.6
269.11829	1.4
271.02512	1.4
273.04288	2.2
283.09793	15.5
286.01218	1.6
287.18439	1.2
295.09808	2.7
296.10434	1.9
298.12009	1.6
301.03445	1.9
310.12122	1.6
311.09241	35.3
325.10730	1.9
326.11603	27.0
329.02905	2.0
341.13928	49.6
342.14688	1.5
344.05310	4.1
344.12494	2.9
345.06131	3.7
345.12436	1.0
345.19043	2.1
353.91653	1.0
359.14975	16.3
405.21576	1.8
415.99680	1.0
419.22836	5.4
429.21619	1.9
431.22470	2.3
447.22336	34.8
448.22803	1.5
491.11865	7.3
491.19501	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58566	0.6
52.68677	0.5
57.75270	0.6
59.01378	100.0
60.01685	0.8
61.98837	2.7
69.03468	0.7
71.01377	12.1
71.01779	0.8
71.44312	0.5
73.02949	16.5
75.00865	0.6
81.33849	0.5
83.01403	3.4
85.02950	3.0
87.00896	0.9
89.02453	6.9
99.00914	1.2
101.02433	13.7
113.02452	6.8
114.02754	0.7
119.03481	3.0
121.02982	0.7
125.02443	2.1
131.03500	1.4
140.27856	0.6
143.03506	1.7
149.04570	3.6
153.09195	3.9
155.03387	0.8
161.02466	1.2
161.04533	5.8
181.54924	0.6
189.05661	0.9
209.15506	4.6
211.13463	1.3
221.06717	1.2
253.09563	0.7
255.12482	1.4
269.07959	0.6
269.17645	1.4
281.08215	0.7
284.28226	0.6
296.10635	0.6
311.13089	0.7
314.11816	0.7
329.13776	0.7
341.13870	3.1
371.20743	7.2
389.21970	1.7
400.26987	0.6
431.22894	11.1
432.23624	0.9
476.16907	0.7
491.11441	2.0
491.19772	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	491.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
71.01384	2.5
71.43694	4.3
78.95898	52.7
96.96947	4.9
96.99342	3.4
97.02931	7.2
98.37029	2.7
107.40063	2.9
108.02184	3.2
109.02961	17.5
122.03715	7.5
123.00842	3.6
124.01655	8.3
125.02475	9.1
131.58725	2.7
133.21213	2.6
136.91827	2.7
137.02440	22.7
138.03236	6.6
149.02446	3.1
149.06081	14.9
150.03246	6.1
151.03993	10.3
152.01118	2.8
152.99586	94.2
171.00699	5.5
193.08635	3.2
210.95462	5.1
279.15796	5.7
299.19998	4.3
301.21716	5.2
304.20313	4.1
309.63733	2.8
317.21103	6.7
317.58527	3.6
333.24332	8.0
343.18988	4.6
345.24319	8.7
355.22681	4.6
356.23438	15.0
360.22427	3.3
361.23880	31.2
371.25980	10.5
372.22998	8.6
373.23801	47.6
375.21588	5.8
376.26334	5.0
379.25037	4.7
382.21417	4.1
388.26123	11.5
389.23227	6.3
397.23660	3.8
399.21848	4.2
400.22479	54.0
401.23132	3.4
404.25818	6.9
405.26285	12.3
415.24875	100.0
416.25128	5.7
416.78152	3.2
419.28006	4.1
429.26443	15.7
432.25143	9.9
433.23523	18.9
447.27383	22.8
491.19366	20.3
491.26480	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2862
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01862	0.7
57.03448	1.0
59.01377	14.9
61.98587	0.3
61.98829	4.0
70.44065	0.5
71.01374	7.5
72.99311	0.5
73.02943	2.7
75.00861	0.7
83.01372	1.5
85.02949	2.5
87.00863	0.9
89.02444	3.1
95.01383	0.5
97.06604	0.8
99.17277	0.4
101.02436	4.0
104.68265	0.3
111.00856	0.5
113.02440	2.1
119.03464	1.2
121.02948	8.7
123.08173	0.7
125.02444	1.0
125.09722	1.3
127.11279	0.4
141.01752	0.4
157.08611	0.7
171.10266	3.5
211.13423	1.8
212.13731	1.6
243.14929	0.4
253.09271	0.5
287.13977	1.2
311.22275	2.8
329.23318	9.4
405.15320	0.4
421.25226	0.4
473.27588	2.2
491.28604	100.0
492.28836	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	491.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.4
60.18011	0.9
69.56889	3.5
70.13112	1.1
75.00872	4.8
84.72914	1.0
84.85378	1.0
98.22588	1.1
109.02958	3.7
109.88113	1.1
113.24020	1.0
117.01926	2.3
121.02966	1.5
123.00860	3.2
124.01664	8.2
137.02429	6.8
138.03221	5.9
138.98917	1.0
151.00362	2.2
151.04050	1.8
152.01122	3.7
165.01880	1.8
166.02646	1.2
167.14371	2.0
178.99832	2.9
179.03452	2.3
181.20322	1.3
183.17703	0.9
223.29329	1.2
249.14891	2.5
250.15735	26.7
251.16512	43.3
277.14450	4.2
278.15152	2.2
292.16879	2.4
305.14041	2.6
320.16205	1.7
330.96478	1.1
375.32614	1.3
401.92896	1.1
403.32300	2.0
416.28799	1.1
419.31686	37.1
420.31836	1.6
429.30151	3.7
447.31128	100.0
448.31357	6.3
491.30515	7.6
491.82138	1.2
510.43622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3741
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
59.07160	1.4
69.23232	8.2
85.06586	2.6
92.92792	2.3
98.22641	3.2
120.67806	1.8
125.09761	1.7
140.80997	1.7
159.31825	1.5
195.17499	2.6
207.17522	8.4
251.16710	2.4
279.15924	5.0
339.18445	1.7
373.31271	4.7
401.08124	5.2
401.91513	1.6
429.33578	6.2
445.36807	36.4
446.37216	1.8
447.38623	2.1
473.36313	46.3
474.36597	2.8
491.37357	100.0
492.37701	4.4
501.39853	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	491.374
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
51.12840	0.9
60.72220	0.9
61.98816	1.2
69.34591	4.5
69.55560	0.9
72.52776	1.1
85.06590	3.0
97.06517	1.3
98.21901	2.3
108.46272	0.9
116.92832	1.7
125.09726	1.3
147.08524	0.8
169.74710	0.9
180.50047	0.9
195.17499	2.1
207.13835	1.4
207.17531	6.5
221.19048	1.0
234.82188	1.2
279.15997	3.2
306.07678	1.1
331.26477	2.2
339.17789	1.1
373.31079	5.2
387.32751	1.9
401.08020	1.9
429.33453	4.9
443.35052	1.2
445.36832	35.7
446.36963	2.4
447.19446	1.0
447.38284	3.3
473.36310	47.2
474.36566	2.0
491.37390	100.0
492.37634	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	492.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
58.55806	1.4
59.01374	29.1
59.18138	1.2
60.01693	2.2
61.01785	1.4
61.98826	18.6
65.55552	1.4
71.01369	5.6
73.02934	3.8
83.01369	1.3
85.02961	1.6
86.70381	1.1
89.02443	3.4
91.07097	1.4
93.03445	5.3
95.48266	1.3
96.96000	5.4
101.02442	3.0
109.02962	2.7
110.02461	1.5
113.02444	2.6
117.97211	1.2
121.02977	5.8
122.02470	1.4
123.03238	9.8
124.01630	3.4
125.02466	10.8
126.02747	2.9
127.00417	1.3
135.04457	1.4
136.04030	11.9
137.02451	4.1
138.03207	1.4
138.05612	27.5
145.02928	2.3
146.02434	3.7
149.01164	4.5
149.02364	2.7
159.04549	1.6
159.58749	1.3
161.02444	9.2
162.03197	6.2
163.83345	1.4
164.01160	7.2
164.03529	100.0
165.01801	1.7
166.02654	3.1
168.00630	4.0
177.01889	3.0
178.02711	2.3
178.99852	2.7
181.12323	1.2
182.04431	2.0
183.02957	8.0
184.03305	2.7
189.01869	4.0
190.02708	16.0
190.99794	1.4
192.00639	97.0
193.01404	26.4
194.02209	10.8
202.02713	1.5
205.01373	9.5
205.04855	1.2
206.02174	9.0
207.02974	68.2
217.01276	1.7
221.00807	2.8
222.01660	4.3
233.00842	1.6
234.01689	38.8
235.02327	1.9
237.03970	3.3
243.12256	2.0
246.01741	2.4
249.04044	26.7
271.06006	3.1
272.06396	2.4
282.08481	1.9
289.07144	3.5
290.07465	1.8
294.03815	2.4
295.93234	1.3
309.06149	21.9
312.04846	11.8
327.07208	69.8
328.07559	2.2
388.68890	1.3
431.23407	1.9
432.22961	1.7
433.24588	2.9
456.10165	4.7
477.17221	1.7
491.19061	2.6
492.11493	6.6
492.19470	17.0
492.26038	1.8
493.09824	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	492.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	91.7
61.98591	2.2
61.98833	26.1
64.64767	2.3
69.03448	5.4
69.30674	9.1
71.01385	61.4
72.99302	2.7
73.02940	10.6
76.57575	2.2
78.29121	2.6
83.01382	2.6
85.02950	9.5
86.69061	2.5
89.02442	93.1
97.02938	10.8
98.21912	4.1
99.00867	18.9
101.02421	22.0
113.02436	10.0
115.03999	4.3
119.03488	3.2
125.02446	46.2
125.03321	4.7
131.03494	10.3
139.92961	2.0
143.03496	5.6
149.04529	30.9
155.10783	34.4
161.04475	2.9
191.03539	3.8
191.05595	9.7
192.00662	5.3
192.03758	3.5
193.01311	3.8
197.11876	3.5
233.06674	22.6
235.31480	1.9
258.75601	2.3
274.84830	2.5
293.08774	100.0
331.53818	2.6
449.23914	5.1
492.29083	10.0
493.30130	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	492.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07677	0.7
61.98828	100.0
64.16055	0.7
67.79777	0.8
70.91963	1.1
83.49449	0.7
88.36096	0.6
165.10310	0.6
174.37657	0.6
230.67297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01377	1.1
62.59544	0.5
69.03436	0.7
69.88096	1.0
71.01403	0.6
79.01893	0.7
81.03454	1.2
83.63487	0.5
96.78088	0.5
97.02974	0.8
105.03429	0.7
107.01376	0.9
109.02975	0.6
120.22090	0.6
123.00930	0.6
124.01689	0.6
125.02449	58.7
126.02766	0.9
137.02432	1.9
139.03964	1.4
161.02451	4.2
162.46486	0.5
165.01961	1.3
166.99831	0.7
167.03516	1.9
169.01430	100.0
170.01781	1.8
179.03493	0.8
193.01439	1.2
197.99097	0.5
198.99944	2.3
219.06630	1.1
241.15112	0.6
249.46431	0.5
269.04675	1.0
287.05661	1.5
290.78165	0.5
305.06668	4.4
331.04623	1.1
457.07791	9.3
458.07977	0.9
493.09509	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	493.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89053	0.9
69.89394	1.2
81.58743	0.5
87.24207	0.5
93.03487	0.8
117.41658	0.6
121.02946	1.7
123.00874	1.1
124.01646	2.4
125.02426	0.7
133.02948	0.7
136.01646	1.9
137.02444	1.9
138.03259	0.7
139.03984	1.3
141.17894	0.6
142.88400	0.6
145.02907	0.7
149.02437	2.4
151.03955	1.3
151.29192	0.6
161.02440	2.3
162.03180	1.3
163.04062	0.7
164.01140	8.3
165.01915	4.1
166.02689	0.8
166.99797	0.7
168.00629	1.6
173.02559	0.6
177.01945	1.0
178.99898	1.6
179.03613	0.7
180.00748	0.8
183.02956	2.2
190.02699	2.2
191.03593	0.7
192.00639	100.0
193.01399	58.4
193.03957	0.8
194.02133	4.1
195.02783	0.6
205.01442	1.6
206.02194	1.7
207.02972	26.2
208.03252	0.6
210.01721	2.4
221.00983	1.1
222.01714	1.9
223.02261	0.7
225.03993	1.7
232.03766	0.9
234.01649	7.0
235.02454	5.1
249.03992	2.3
255.78802	0.5
295.04205	0.6
309.06046	1.0
355.42999	0.5
419.23389	0.5
478.07651	1.9
493.09875	28.1
494.10175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01376	14.0
67.01900	0.7
69.67467	1.3
69.67780	0.6
71.01373	5.1
72.99307	0.8
73.02934	1.8
75.00854	2.9
79.27765	0.5
83.01381	0.5
85.02946	3.1
87.00871	1.5
89.02454	1.8
92.01383	0.5
93.03452	2.1
95.01369	1.5
98.21852	0.5
99.00861	2.1
101.02429	1.6
105.03457	0.8
107.05023	1.5
108.02201	0.6
109.02948	2.4
112.11372	0.6
113.02436	3.3
115.00307	0.6
117.03487	0.7
119.05020	0.6
120.06612	0.6
121.02959	5.2
123.00824	0.8
123.04517	2.1
124.01660	2.6
125.02409	1.9
135.04596	1.3
137.02434	7.2
138.03203	0.6
139.04010	2.6
139.11285	4.0
145.02945	2.1
147.00879	0.7
148.01630	1.0
149.02440	5.2
150.03235	0.6
151.00305	1.2
151.03995	3.6
153.01961	2.2
153.05458	0.7
161.02425	3.7
162.03215	1.5
163.03998	1.0
164.01120	3.2
165.01930	9.2
166.02663	0.7
167.03519	0.6
168.00624	2.1
169.01390	0.9
177.01924	1.5
178.99908	0.7
179.03484	1.3
181.12279	2.0
182.02100	0.5
183.03032	3.6
183.10294	4.2
189.01956	1.5
190.02693	2.5
190.04315	0.5
191.03468	1.4
192.00662	14.3
193.01411	100.0
194.01921	2.2
195.02902	1.3
197.04742	0.6
197.45851	0.6
203.03534	0.8
205.01424	1.9
206.02202	2.9
207.02974	14.5
215.03531	1.4
225.04024	1.5
225.11261	1.2
234.01689	6.7
235.02437	7.2
243.02892	0.9
243.12338	1.7
249.03970	3.8
249.06203	2.7
255.05077	0.8
259.02380	0.7
260.03012	0.5
271.02478	1.1
284.83939	0.7
285.06088	1.4
287.01938	12.5
294.03934	0.9
309.06143	3.4
314.97757	1.2
315.01456	24.8
316.01993	2.2
317.15872	1.6
330.03830	1.9
331.04596	1.4
359.14752	0.8
360.15656	0.7
392.70230	0.6
433.17029	0.6
433.24252	2.8
475.18094	1.8
478.07367	1.1
493.09836	69.1
493.19196	34.6
494.09796	3.1
494.19611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69867	0.7
55.01863	0.8
57.03437	2.8
59.01375	14.4
60.19314	0.6
61.98828	3.9
65.03951	0.9
67.01864	0.8
71.01374	6.5
71.45030	0.7
72.99294	0.7
73.01308	0.6
73.02925	2.0
81.03444	0.8
83.01365	1.3
85.02942	3.2
89.02441	7.5
91.94126	0.6
93.79472	0.7
95.01379	1.5
95.05007	8.1
96.95990	1.1
97.02929	1.8
101.02429	5.9
102.04911	0.7
108.02212	0.9
109.02946	48.7
109.06615	1.6
113.02436	3.5
119.03506	2.6
120.01219	1.1
123.00824	0.7
123.04446	0.8
124.01688	0.9
125.02438	48.0
131.03435	0.8
133.06572	1.0
136.05286	1.1
137.02420	2.1
139.03995	1.2
143.03487	0.9
151.04050	1.3
151.07640	44.4
152.07993	1.1
153.01926	100.0
154.02283	1.7
161.02411	4.3
161.04550	2.2
165.01933	2.1
167.03477	2.0
169.01413	83.6
170.01715	1.0
177.01910	4.2
177.05573	1.8
179.05603	2.5
193.01334	2.1
195.03014	1.5
195.06589	6.0
207.03120	0.9
219.03185	0.6
219.06468	0.8
221.04703	0.6
226.15829	0.7
283.02448	1.3
287.05469	1.8
297.06146	8.4
298.04755	1.2
305.06677	2.7
313.07092	1.6
331.04333	1.8
331.17572	1.1
339.10837	1.1
381.02759	0.7
433.24228	4.9
457.07837	7.6
493.13467	78.4
493.22464	4.6
494.13535	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03445	2.9
59.01377	19.6
61.98818	1.9
65.00317	1.2
71.01384	10.5
72.99298	0.5
73.02938	3.3
81.03461	1.0
83.01376	2.5
85.02953	4.3
87.00874	1.1
89.02444	6.3
91.01888	0.5
95.01389	1.5
95.05027	9.4
97.02929	0.7
99.00893	1.0
101.02443	7.6
107.01369	1.9
108.02173	1.8
109.02953	22.4
109.06574	1.6
111.00849	0.5
113.02451	5.6
119.03502	2.4
123.00842	0.5
123.04531	1.0
123.08153	0.6
124.01723	0.8
125.01504	0.5
125.02438	10.9
131.03624	0.4
133.02872	0.5
133.06615	1.2
135.04515	0.6
136.05302	1.3
137.02423	0.7
139.00325	0.5
139.04001	0.9
143.03505	1.3
149.04521	0.6
149.06090	0.6
151.00377	4.1
151.07645	100.0
152.01117	0.5
152.07993	1.9
153.01936	31.1
154.02310	0.4
161.02422	1.3
161.04552	3.4
163.03969	0.5
163.07623	0.4
164.01134	0.5
167.03522	1.3
169.01421	14.4
177.01982	0.7
177.05568	1.7
179.03418	0.5
179.05614	2.7
192.00687	0.9
193.01418	0.6
193.05188	0.4
195.06621	40.1
196.07016	0.7
201.45216	0.4
209.04588	0.8
221.04741	0.4
221.06639	1.8
224.75526	0.4
237.04178	0.4
251.05582	0.4
261.23923	0.3
262.69513	0.3
263.07797	0.6
283.02301	0.3
287.05475	0.4
297.06168	10.2
309.03659	0.4
313.07166	0.8
331.08075	0.9
331.17651	2.1
336.66290	0.4
349.50772	0.4
357.11893	13.8
373.09320	1.3
403.10278	0.8
432.23001	0.4
433.24411	4.6
445.09976	1.3
457.07816	1.3
475.12531	0.9
486.24710	0.4
493.13504	76.6
493.22485	5.7
494.13834	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	493.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03450	10.2
58.35705	0.9
59.01379	21.1
61.98827	1.8
69.03447	1.2
69.36457	4.2
70.33237	0.9
71.01382	16.0
73.02934	6.0
81.03434	2.0
83.01382	4.9
85.02952	7.8
87.00839	1.2
89.02467	6.4
95.01405	2.4
95.05048	1.8
96.74551	0.9
97.02925	1.4
98.22667	1.2
101.02439	12.7
102.81873	1.0
105.03441	3.2
105.06493	1.1
105.07072	7.4
107.01350	1.0
108.02164	13.3
109.02206	2.3
109.02952	44.5
109.06585	3.1
111.00848	2.5
113.02444	8.5
119.03493	3.4
121.02941	2.0
123.00877	3.7
123.04527	6.0
124.01658	10.2
125.02449	80.3
126.02776	3.0
133.02937	2.4
137.02458	6.7
137.06084	1.2
138.03221	1.2
139.04010	4.1
149.02417	3.0
149.06075	40.1
151.04010	3.6
151.07639	10.5
152.01138	17.2
153.01936	90.6
154.02304	1.3
159.02980	1.1
160.05264	4.3
161.02451	40.1
161.04462	6.6
161.05829	1.3
162.03250	5.2
163.07683	2.9
164.01135	3.7
165.01886	4.2
165.09155	1.1
166.99777	1.0
167.03514	7.3
168.00647	8.7
169.01424	6.4
173.06094	1.9
175.07637	26.5
177.01915	2.6
177.05521	3.4
179.05582	4.5
183.02989	15.4
183.04483	1.8
187.07628	4.9
189.01971	1.3
190.02699	11.6
191.03471	1.5
191.07104	1.3
192.00650	43.9
192.99928	0.7
193.01407	32.3
193.08643	3.0
195.02980	73.8
195.06688	3.0
196.03357	1.7
201.05505	2.1
203.03372	1.2
205.01436	6.5
205.05011	2.5
205.08723	3.6
206.02177	9.3
207.02971	34.0
217.08543	1.9
219.06622	2.3
221.06592	1.4
223.09590	1.8
225.04037	59.3
226.04536	1.4
233.99338	1.6
234.01694	31.4
234.80946	1.0
235.02408	2.5
235.06076	2.1
237.07602	7.0
246.01714	2.0
247.06123	1.5
249.04022	26.7
255.05098	100.0
256.05444	2.3
267.08759	8.8
269.04550	4.2
269.35455	1.2
279.08673	2.2
287.02280	1.8
287.05573	20.9
288.05905	1.5
289.06140	1.6
294.03833	2.0
303.08655	2.7
309.06174	29.5
315.01520	5.3
330.03680	1.3
331.04871	1.2
331.17725	5.0
433.24530	3.2
455.09805	3.9
478.07535	2.3
493.09265	21.3
493.23074	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
56.49421	1.2
56.82306	1.1
57.03445	12.6
59.01376	20.6
61.98822	4.2
62.21867	1.1
64.28439	1.1
68.50296	1.3
71.01386	16.9
73.02941	6.0
77.97083	1.3
81.03468	1.9
83.01385	6.0
85.02931	5.7
87.94952	1.4
89.02452	5.8
93.03448	2.5
95.01370	3.4
95.05029	4.3
98.21894	3.4
99.00877	1.6
101.02447	12.6
101.03046	2.0
105.03448	4.5
105.07096	7.6
105.80616	1.4
108.02156	14.7
109.02950	45.9
109.06577	2.0
111.00872	3.1
113.02463	5.9
119.03502	1.9
121.02927	1.6
122.39419	1.3
123.00863	3.9
123.04494	6.8
124.01659	10.0
125.02444	100.0
126.02767	4.1
127.02860	1.7
133.02977	1.7
137.02458	9.2
139.04012	4.6
145.02919	2.5
149.02411	5.9
149.06079	41.8
151.03983	3.4
151.07646	12.8
151.81366	1.4
152.01129	19.6
153.01933	84.3
154.95776	1.2
160.05313	4.7
161.02444	55.3
161.04427	8.3
161.05821	1.6
162.03185	7.2
163.04099	1.7
163.07607	3.9
164.01155	4.8
165.01949	7.3
166.02623	1.7
167.03497	10.2
168.00639	11.2
168.03624	1.2
169.01402	8.3
173.02457	1.3
173.06088	3.3
175.07639	26.5
177.01923	2.6
177.05576	3.3
179.05582	3.0
183.02982	12.9
187.07556	6.0
189.01863	2.4
190.02705	11.2
191.03439	2.3
192.00650	43.2
193.01401	38.2
193.08704	1.7
194.01985	1.2
195.02972	73.4
195.06667	4.1
201.05504	2.5
205.01416	7.8
205.08710	3.8
206.02266	8.2
207.02965	32.2
217.01268	1.7
217.08691	2.9
219.06569	1.9
221.06685	1.9
225.04027	67.9
233.00873	1.7
234.01688	27.0
235.02452	4.4
235.06029	1.6
237.07649	5.6
249.04045	22.2
255.05083	92.0
256.05353	1.9
267.08746	9.0
269.04437	5.1
279.08838	2.3
287.02078	3.6
287.05560	32.7
288.05939	2.1
289.06369	3.0
294.03775	3.2
303.08896	2.7
309.02866	0.9
309.06128	21.5
315.01505	6.4
316.02124	1.8
317.06699	1.9
331.17560	2.8
361.16562	1.6
389.02039	1.4
433.24341	3.3
455.09665	4.0
478.07535	2.1
493.09454	29.5
493.22992	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	493.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57378	0.7
55.01870	1.5
57.03448	1.1
59.01375	13.8
61.98830	5.7
71.01373	17.1
73.02932	8.0
78.91893	1.1
83.01372	2.5
85.02949	8.0
87.00859	1.0
89.02432	5.5
95.01379	1.0
97.02948	0.7
99.00861	3.1
101.02434	14.0
106.78687	0.6
108.02156	5.9
109.02964	3.6
112.75511	0.6
113.02438	8.6
119.03509	1.0
123.00800	0.8
123.04505	2.8
123.71767	0.6
124.01599	0.6
125.02457	4.5
131.03497	4.4
137.02440	11.6
138.03209	2.7
139.85927	0.7
143.03473	1.0
151.04007	4.9
159.02975	1.5
161.02419	1.1
161.04544	9.2
164.01170	0.7
165.01880	0.8
165.05450	0.9
167.03526	1.0
168.36166	0.7
169.01382	4.6
177.09238	1.3
182.76369	0.6
191.10747	1.1
192.00636	2.6
193.01346	1.9
193.08656	4.4
194.09436	14.4
207.03000	0.8
208.11086	1.2
209.11812	100.0
210.12157	2.3
226.08498	1.4
295.15268	0.7
315.18091	36.2
316.18481	0.7
411.70520	0.7
413.18417	1.2
436.34048	0.7
447.22321	46.1
448.22433	1.1
457.18698	1.4
493.10080	1.1
493.16949	0.8
493.23660	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	493.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04014	0.5
70.65508	0.5
91.95476	0.4
93.03461	1.9
95.01376	0.6
97.88094	0.5
107.71607	0.5
109.02961	0.7
121.02970	1.4
125.02428	1.7
137.02477	2.5
151.00383	1.0
153.01987	0.5
165.01910	0.6
169.01405	2.1
177.01872	2.2
193.01405	100.0
194.01732	1.6
200.08363	0.6
213.05621	0.9
238.06357	0.7
241.05083	1.2
242.05864	1.2
243.13875	4.9
271.13458	3.8
282.12762	1.2
297.11279	0.5
298.12106	7.2
299.12872	15.3
493.14886	4.2
494.16595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58224	0.6
53.93248	0.5
59.01382	6.5
66.91740	0.5
71.01382	9.5
71.06897	1.0
72.99308	4.2
73.02938	1.8
75.00878	4.9
79.88961	0.6
83.01387	2.2
83.05025	0.9
83.45589	0.5
85.02943	5.9
87.00869	3.0
89.02452	1.7
93.03464	0.6
95.01380	1.2
97.02870	0.6
97.06581	3.8
99.00882	3.7
109.06586	4.3
113.02457	6.6
115.00372	0.7
117.01949	1.0
117.07047	0.6
121.02903	1.1
122.03736	1.6
123.04533	0.8
124.01653	1.1
125.02461	0.7
125.06088	2.3
127.07631	2.3
129.01909	0.8
134.89912	0.5
135.04443	1.0
135.08144	3.1
137.06055	1.1
151.07668	0.8
153.05554	5.3
153.09235	1.8
163.07645	12.5
171.06642	5.9
172.25433	0.6
175.02390	0.7
179.07138	3.6
181.08720	2.5
185.08098	0.6
189.05618	1.5
197.08269	2.9
207.04845	0.9
207.06630	11.0
225.07697	8.1
231.05049	0.8
243.08684	4.6
249.06163	3.0
251.38388	0.6
267.07208	2.5
299.11325	1.9
317.12402	8.3
318.18198	0.6
359.13449	1.9
421.13281	0.8
431.14908	0.7
437.68207	0.5
447.15149	0.7
457.13171	1.0
475.14575	10.0
476.15076	0.7
493.15625	100.0
494.15738	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1714
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
51.55603	0.4
59.01372	3.6
61.08625	0.4
61.98831	1.2
68.21803	0.4
69.03459	0.6
69.21809	2.4
71.01367	0.8
73.13742	0.4
121.02943	1.0
122.03758	0.5
123.00881	0.8
124.01669	1.2
125.02456	2.5
132.85854	0.4
133.02953	0.9
134.03732	0.6
136.01646	2.0
137.02426	0.7
138.03238	2.6
139.11282	1.1
145.02960	1.0
149.02400	2.3
149.99606	0.5
150.03210	0.9
151.03989	0.8
152.01163	1.4
153.01918	0.6
161.02446	7.6
162.03230	4.8
163.03809	0.5
164.01166	8.5
165.01923	1.4
166.02670	3.9
167.03542	0.6
168.00581	1.0
169.01385	1.6
173.02435	0.8
176.01125	1.0
177.01933	3.9
178.02676	3.1
178.99829	2.2
180.00591	1.0
183.02985	1.2
183.10277	2.0
189.01962	2.6
190.02725	10.7
190.99811	0.8
191.03493	1.1
192.00644	100.0
193.01407	42.3
193.05040	0.7
194.02187	26.9
201.19310	0.5
203.03426	0.8
204.00452	0.5
204.04361	0.6
205.01410	9.5
205.05000	1.1
206.02182	10.9
207.02980	51.8
208.03378	1.0
209.04471	1.5
211.02478	0.7
219.03099	0.5
220.00104	1.1
221.00954	3.9
221.04616	0.7
222.01706	8.6
223.02318	0.6
232.03763	5.0
233.00958	1.0
234.01688	40.4
235.02362	3.8
237.03993	6.4
249.04025	26.8
250.04497	1.3
259.02359	0.4
276.02676	1.4
279.05072	0.6
291.05069	5.2
294.03760	4.1
309.06165	35.7
310.06540	1.3
312.04813	7.2
327.07208	34.6
328.07486	1.2
407.09802	3.3
447.22092	0.5
478.14917	5.3
479.70840	0.4
493.17114	34.4
494.17395	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	493.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96198	0.8
55.01857	0.7
57.03440	1.8
59.01377	100.0
61.98828	10.2
69.34476	1.1
69.34880	3.0
71.01381	15.4
72.99303	2.3
73.02937	6.1
75.00859	1.2
83.01392	3.1
85.02943	6.6
86.94518	0.8
87.00877	1.4
89.02428	4.2
98.21922	1.8
99.00876	2.0
101.02454	9.8
101.21329	0.8
106.06630	0.9
107.05022	2.5
113.02465	5.6
113.78052	0.7
123.04510	1.8
124.15002	0.8
125.02461	4.6
129.01894	0.8
141.01688	1.2
143.03452	1.2
151.04019	2.4
153.01788	1.1
160.79982	0.7
161.04530	3.8
169.01408	4.0
179.05638	0.8
184.46527	0.9
192.00681	4.4
193.01395	4.6
197.04607	1.9
197.11746	6.8
207.02876	1.1
209.15468	2.5
211.13327	0.8
244.01442	0.8
285.03720	0.9
301.02643	1.4
303.03873	0.9
306.97299	1.0
316.04919	1.0
329.06689	1.6
330.06915	1.4
331.03748	1.3
331.07349	2.9
347.06412	0.9
353.19742	5.6
371.20651	11.1
384.85211	0.9
413.21786	14.8
419.22833	8.1
431.10284	1.0
431.22910	2.5
433.24261	1.7
468.98770	0.9
493.10846	3.2
493.23163	2.4
493.30023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
57.03432	3.2
59.01378	100.0
60.01690	1.2
61.98827	16.2
69.10307	2.1
69.10710	5.2
71.01374	11.9
72.68050	0.9
73.02945	5.8
75.00851	2.6
77.99936	1.0
83.01373	3.0
85.02958	6.1
87.00890	1.4
88.98765	1.5
89.02448	4.3
92.57746	1.2
93.03441	1.9
95.01369	2.2
96.96012	2.5
99.00857	2.5
101.02439	9.3
107.05018	4.8
109.02922	1.2
110.84592	1.0
113.02450	5.2
118.95461	1.0
119.03521	1.5
123.04498	3.0
125.02464	8.5
137.02454	2.5
137.27776	1.2
151.04019	7.4
153.01939	1.4
153.05571	1.3
161.02415	1.6
161.04572	2.6
164.01047	1.6
169.01390	4.5
177.01901	1.8
192.00633	6.5
193.01411	7.9
197.04517	4.5
197.11842	3.7
203.05623	2.2
207.03038	3.1
207.06528	1.6
207.13834	7.0
209.15408	1.1
211.13393	1.4
236.72868	1.0
261.20862	1.1
273.03171	1.3
314.04370	1.6
316.04910	1.5
329.06906	1.3
330.06860	1.4
331.03647	2.2
331.07233	3.8
353.19705	3.5
371.20883	7.2
373.22107	1.7
413.21738	11.8
419.22937	3.5
431.10135	1.3
433.24234	2.4
436.11447	1.2
493.11145	3.7
493.23154	1.4
493.29694	4.5
493.36304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03445	4.1
59.01376	32.8
61.98822	0.7
68.99818	0.7
69.03429	0.9
69.35241	1.6
71.01379	9.6
72.99308	3.2
73.02941	2.2
75.00867	7.6
81.03445	1.0
83.01387	1.6
85.02941	10.5
85.77283	0.4
87.00874	4.0
88.16341	0.4
89.02428	3.0
93.03452	1.4
95.01392	2.7
95.05032	0.9
99.00884	6.0
101.02448	2.2
103.00361	0.9
105.03458	1.4
107.05057	0.5
109.02953	1.0
111.00883	0.6
113.02438	8.7
115.00349	1.6
115.03981	0.4
115.75416	0.4
117.01938	1.3
118.33962	0.4
118.98088	2.3
119.03525	0.6
119.04964	0.4
121.02926	1.5
121.03811	0.5
123.00874	0.5
123.04525	1.7
124.01656	1.4
125.02443	18.9
126.02776	0.9
127.04012	0.4
129.01888	1.0
133.02982	0.4
137.02455	2.5
137.06091	0.8
139.00395	0.5
139.03928	1.1
139.11284	13.7
145.02980	0.8
149.02420	1.7
149.06056	1.2
150.03209	0.9
151.03972	1.7
154.37959	0.4
157.01334	0.5
161.02429	8.4
161.04489	0.9
162.03168	1.3
163.04028	0.8
164.01135	1.8
165.01944	4.1
165.05498	0.5
167.03500	2.0
168.00610	1.4
169.01399	1.8
173.02336	0.4
175.02423	1.2
179.05635	0.6
181.12347	5.5
183.02985	1.6
183.10249	11.2
184.10605	0.5
189.01947	0.6
190.02713	1.7
191.03563	0.8
192.00661	7.1
193.01407	34.2
194.01909	1.1
195.03079	0.5
199.13391	1.8
205.01463	0.9
206.02164	1.0
207.02963	7.6
207.04741	0.6
225.03993	0.5
225.11351	3.5
231.04999	0.8
234.01654	4.3
235.02397	1.8
237.07677	0.7
243.12314	4.6
249.03928	2.5
249.06168	10.2
267.08929	0.6
271.04688	0.6
287.02042	1.8
287.05588	5.1
289.94897	0.5
299.14984	0.5
309.06128	2.9
315.01459	4.8
316.02145	1.1
317.15991	4.7
330.03714	2.3
331.04443	2.1
331.17404	0.6
361.85678	0.5
431.19250	1.0
433.17047	2.6
433.24127	1.4
433.30386	0.4
451.32706	1.7
468.28116	0.5
475.17935	3.8
493.09955	18.7
493.19183	100.0
494.10095	0.9
494.19504	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2207
Annotation	Malayenolide B
Peak:m/z	Relative Intensity
55.01886	1.1
55.70525	0.6
57.03422	0.9
59.01377	100.0
61.98835	2.1
69.39597	1.3
69.39997	2.1
69.65922	0.6
71.01376	14.1
73.02943	5.6
75.00795	0.7
77.98003	0.7
78.91885	0.7
81.81516	0.6
82.79292	0.7
83.01431	1.2
85.02943	6.6
89.02457	3.0
95.01384	0.9
97.02990	0.9
99.00899	2.8
101.02437	8.2
113.02462	6.4
119.03489	0.7
120.83469	0.6
125.02493	2.1
159.02995	0.9
161.02489	0.9
161.04535	15.4
161.05797	1.0
161.96974	0.8
166.02788	0.7
169.01442	2.5
172.85352	0.7
192.00641	8.9
193.01439	4.6
194.02208	1.5
207.02934	4.5
231.38380	0.6
234.01743	2.3
249.04099	2.0
309.06192	2.1
327.07300	2.8
433.19949	30.4
434.20361	1.4
447.22351	3.5
451.21152	1.7
468.12790	0.7
477.18961	3.8
478.14795	0.7
480.67776	0.8
493.22275	10.2
493.30289	2.4
494.22635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2306
Annotation	Rhodioloside C
Peak:m/z	Relative Intensity
51.35535	0.5
55.01857	1.9
57.03444	13.2
59.01377	36.3
61.98818	1.6
67.60678	0.5
69.03443	0.6
69.17722	3.0
71.01378	37.3
72.99298	0.6
73.02943	11.0
74.71773	0.5
81.03449	2.1
83.01383	9.2
85.02445	1.0
85.02941	14.1
87.00873	2.9
89.02440	17.2
89.23106	0.5
90.53394	0.5
95.01366	2.8
95.05031	1.0
97.02937	1.4
99.00866	3.4
101.02436	30.1
103.22746	0.5
105.03450	3.1
108.02159	1.2
109.02924	1.8
111.00842	1.0
111.04475	0.7
112.01627	0.6
113.02442	15.1
119.03514	5.6
120.99657	7.3
123.00893	0.6
123.04534	1.4
124.01630	1.5
125.02440	100.0
126.02776	4.2
127.02887	1.4
131.03532	3.0
133.02946	0.6
137.02435	3.8
139.04033	2.0
143.03476	2.7
149.02451	0.6
149.04536	1.7
149.06149	1.0
152.01146	1.4
153.01904	2.1
159.02972	1.9
161.02441	41.5
161.04494	13.5
162.02748	3.0
163.02939	1.0
165.01917	1.5
167.03471	6.6
168.00786	0.7
169.01405	3.3
169.05104	1.3
175.04022	0.9
177.05560	2.2
179.05553	3.6
180.43169	0.5
183.02934	1.4
183.04482	0.9
189.01949	0.6
189.75583	0.6
190.02718	1.3
191.05605	1.2
192.00652	2.0
193.01384	1.0
195.03015	0.8
201.05569	1.8
205.01350	1.1
206.02249	0.9
207.02956	3.3
210.96236	0.5
219.06644	1.5
221.06680	3.7
222.57954	0.5
234.01688	2.2
243.06689	0.6
249.04016	2.0
255.05118	1.1
263.07715	0.8
269.04532	3.1
283.15585	1.0
287.05597	20.8
288.05957	1.1
289.06259	1.7
305.06589	3.7
309.06122	1.8
331.17603	31.9
332.17938	1.1
346.13348	0.6
360.14932	0.6
361.18948	1.1
433.24579	1.7
455.10040	0.6
493.22986	47.2
494.23499	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	493.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35535	0.5
55.01857	1.9
57.03444	13.2
59.01377	36.3
61.98818	1.6
67.60678	0.5
69.03443	0.6
69.17722	3.0
71.01378	37.3
72.99298	0.6
73.02943	11.0
74.71773	0.5
81.03449	2.1
83.01383	9.2
85.02445	1.0
85.02941	14.1
87.00873	2.9
89.02440	17.2
89.23106	0.5
90.53394	0.5
95.01366	2.8
95.05031	1.0
97.02937	1.4
99.00866	3.4
101.02436	30.1
103.22746	0.5
105.03450	3.1
108.02159	1.2
109.02924	1.8
111.00842	1.0
111.04475	0.7
112.01627	0.6
113.02442	15.1
119.03514	5.6
120.99657	7.3
123.00893	0.6
123.04534	1.4
124.01630	1.5
125.02440	100.0
126.02776	4.2
127.02887	1.4
131.03532	3.0
133.02946	0.6
137.02435	3.8
139.04033	2.0
143.03476	2.7
149.02451	0.6
149.04536	1.7
149.06149	1.0
152.01146	1.4
153.01904	2.1
159.02972	1.9
161.02441	41.5
161.04494	13.5
162.02748	3.0
163.02939	1.0
165.01917	1.5
167.03471	6.6
168.00786	0.7
169.01405	3.3
169.05104	1.3
175.04022	0.9
177.05560	2.2
179.05553	3.6
180.43169	0.5
183.02934	1.4
183.04482	0.9
189.01949	0.6
189.75583	0.6
190.02718	1.3
191.05605	1.2
192.00652	2.0
193.01384	1.0
195.03015	0.8
201.05569	1.8
205.01350	1.1
206.02249	0.9
207.02956	3.3
210.96236	0.5
219.06644	1.5
221.06680	3.7
222.57954	0.5
234.01688	2.2
243.06689	0.6
249.04016	2.0
255.05118	1.1
263.07715	0.8
269.04532	3.1
283.15585	1.0
287.05597	20.8
288.05957	1.1
289.06259	1.7
305.06589	3.7
309.06122	1.8
331.17603	31.9
332.17938	1.1
346.13348	0.6
360.14932	0.6
361.18948	1.1
433.24579	1.7
455.10040	0.6
493.22986	47.2
494.23499	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	493.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15401	0.9
55.01873	2.8
57.03439	4.3
59.01376	53.5
60.01715	0.8
61.98825	14.3
68.65527	1.1
69.03415	1.2
69.29445	4.5
71.01381	30.2
72.99303	33.1
73.02944	14.1
75.00869	1.8
83.01375	7.4
85.02955	14.9
87.00880	2.2
88.98810	1.6
89.02435	10.6
92.78199	1.0
95.01385	3.5
97.02922	1.4
98.21876	1.8
99.00880	5.1
101.02439	28.9
108.02121	1.1
109.02952	1.9
111.00880	3.2
112.01688	1.5
113.02431	12.7
114.12521	0.9
116.09286	0.8
119.03502	2.6
120.78053	0.8
121.02950	2.4
122.03747	1.5
123.04569	1.6
124.01643	2.8
124.24153	0.8
125.02445	15.0
127.07685	1.0
129.01924	1.2
134.91554	0.9
137.02437	2.0
138.03279	1.0
139.03961	1.7
140.05365	0.8
143.03398	1.3
145.02940	0.9
151.04008	1.2
153.09186	1.0
159.02942	1.3
161.02437	5.0
161.04562	5.2
161.05833	1.2
164.01166	1.7
165.01917	2.0
165.05585	2.5
167.03433	1.0
168.00552	1.6
168.58488	0.8
169.01439	5.3
169.97420	0.9
171.06563	1.0
177.01877	1.5
177.05632	1.1
179.05666	2.6
190.02611	0.9
192.00633	17.3
193.01437	14.1
197.04573	4.8
201.15034	1.1
207.02928	6.1
211.71709	1.0
213.18568	1.3
222.01292	1.0
234.01694	1.3
243.19641	3.0
245.17654	1.2
249.03976	1.1
251.16612	0.9
271.19073	1.3
287.05600	3.4
306.62723	1.1
313.14526	1.1
331.12918	14.1
343.15344	1.7
346.13965	1.6
351.12958	1.6
361.16565	10.2
387.23587	1.5
419.22852	100.0
420.22916	4.5
431.22839	30.8
432.23480	1.6
433.24396	16.9
447.26672	1.1
449.24094	2.0
475.21658	15.9
493.09509	10.2
493.22604	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	493.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93385	0.8
55.01871	1.6
57.03449	0.8
59.01380	17.9
61.98818	3.9
69.03453	0.9
69.11758	5.0
71.01012	1.2
71.01381	19.6
73.02944	10.7
78.95876	1.2
83.01384	3.7
85.02945	9.3
87.00845	1.1
89.02435	3.3
95.01385	1.2
99.00870	3.0
101.02444	19.5
102.59953	0.8
113.02448	8.6
114.09124	1.0
116.36872	0.9
125.02456	4.1
135.32935	0.8
143.03467	1.2
159.02962	2.3
161.04549	15.0
169.01402	2.1
171.58817	1.0
192.00671	2.0
233.06555	0.9
315.18140	24.1
447.22345	100.0
448.22687	5.0
457.19211	1.7
493.24213	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	493.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03450	13.8
59.01378	38.4
61.01779	0.6
61.98819	2.1
63.59126	0.5
69.03448	0.6
69.42657	2.5
71.01380	31.7
72.99291	0.6
72.99660	0.6
73.02948	10.3
81.03456	1.8
83.01388	9.6
85.02445	1.1
85.02947	15.6
87.00859	2.4
87.57484	0.6
89.02444	16.0
95.01385	3.5
95.05032	1.3
97.02956	0.8
98.21924	0.9
99.00884	2.9
101.02443	28.3
103.59356	0.6
105.03468	3.4
108.02168	1.4
109.02972	1.5
111.00871	0.7
111.04523	0.6
113.02449	14.9
119.03513	5.7
120.99664	8.0
121.02957	0.7
123.00903	1.1
123.04502	1.2
124.01665	1.9
125.02444	100.0
126.02811	4.3
127.02915	1.4
131.03511	2.6
133.02992	0.7
137.02458	4.7
138.02678	0.6
139.04030	2.2
143.03491	2.7
149.02455	1.1
149.04533	1.8
149.05984	0.7
152.01181	1.6
153.01921	2.0
159.03012	1.8
161.02451	43.9
161.04495	15.0
162.02802	3.0
163.03003	1.3
165.01929	2.1
167.03526	6.8
168.00609	1.2
169.01418	3.2
169.05060	1.0
177.05569	3.2
179.03551	1.1
179.05623	2.9
179.07103	0.8
180.35124	0.8
183.03000	1.1
191.05664	0.8
192.00655	2.3
193.01471	1.2
195.02945	0.8
201.05685	1.3
207.03011	3.3
219.06700	1.5
221.06612	3.5
225.03954	0.6
232.38704	0.7
234.01746	2.6
248.51088	0.6
249.04044	2.9
255.05124	1.8
269.04605	3.6
287.05621	20.3
288.05951	1.7
289.06207	1.9
305.06860	2.7
309.06201	2.0
311.51074	0.6
331.17603	32.3
332.18088	1.2
361.15286	1.0
433.24307	1.4
493.23068	45.2
494.23547	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	493.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49120	4.4
70.13579	0.9
78.95863	1.0
95.01383	2.5
109.02926	2.5
110.00114	1.1
111.00872	1.7
123.00875	17.0
124.01660	5.5
125.02430	2.4
137.02428	14.6
139.00363	2.1
139.60100	1.1
151.00378	1.5
151.03986	2.1
152.01180	2.6
152.99574	3.2
165.01903	10.6
173.06215	1.0
175.01312	1.0
179.03476	2.0
193.08684	2.5
204.95970	1.0
211.13455	1.3
216.00658	1.9
221.08127	1.8
227.03410	1.2
229.01421	1.6
242.02145	1.7
244.00009	1.1
255.03009	1.5
256.03824	1.2
257.00745	2.4
275.12833	1.9
315.15881	2.4
325.17993	1.2
341.17374	1.1
353.10275	1.1
377.21158	1.5
379.11768	2.3
391.22864	1.3
417.24304	2.2
419.22275	3.3
433.23923	1.4
435.21707	6.4
445.20093	2.2
446.20801	1.6
447.21698	16.3
450.23944	1.6
451.24997	1.2
461.23279	6.8
462.23669	1.0
463.21030	9.5
465.26685	2.0
468.33813	1.1
478.23462	21.4
493.25989	100.0
494.25916	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	493.2592
Annotation	Biperezone
Peak:m/z	Relative Intensity
57.36046	0.6
68.99804	0.6
78.95894	2.7
81.03474	0.7
91.59805	0.5
93.03442	0.5
95.01371	0.7
108.02187	6.1
109.02950	2.5
110.60863	0.5
121.02954	0.8
122.03745	5.9
123.00861	1.0
124.01612	0.6
125.02435	0.6
134.03706	0.7
135.04503	1.8
137.02492	1.0
149.06070	0.6
150.03223	4.5
151.03969	3.6
152.99564	3.5
160.84174	0.6
161.02440	3.7
162.03207	1.8
163.04039	5.9
164.04869	0.8
165.05583	5.7
175.03981	1.9
176.04666	0.7
177.05566	9.1
187.03975	0.8
191.07127	1.4
203.07114	0.8
205.08766	1.1
217.36316	0.5
219.10381	0.8
219.96416	0.6
240.02373	0.6
257.11786	0.6
271.13400	0.6
301.18002	1.6
313.17853	0.9
315.19608	4.3
327.16049	0.6
327.19440	2.8
433.23792	0.8
451.24637	0.9
457.25772	1.2
493.25937	100.0
494.26343	5.6
510.03882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.4
61.98823	0.8
65.03964	0.6
69.38148	1.5
78.95914	1.5
93.03455	1.2
95.01366	1.4
96.02153	0.9
107.05015	1.4
108.02164	2.2
109.02964	3.1
110.00083	0.7
111.00912	0.7
114.57277	0.5
119.04991	1.1
121.02940	3.2
122.03732	1.9
123.00897	4.9
124.01651	4.1
125.02424	1.0
133.06615	0.6
135.04529	7.8
136.01675	0.6
136.05284	0.8
137.02452	7.8
138.03236	3.1
145.02968	1.2
149.02455	4.9
149.06035	3.4
150.03194	1.6
151.03990	1.9
152.99561	2.6
159.04492	2.6
160.84200	0.5
161.02422	1.1
162.03249	1.9
163.04007	8.1
164.04797	3.0
175.03976	1.4
176.04784	0.6
177.05559	19.5
177.09088	0.6
178.06329	0.5
191.07092	2.1
205.08710	0.9
217.08589	0.6
219.10194	0.8
245.11729	0.7
252.98759	0.5
271.13492	0.6
271.17230	0.5
285.15112	0.8
299.16470	3.2
300.17313	5.1
313.18036	3.0
327.19650	1.7
364.97833	0.5
433.23557	0.5
461.23181	2.5
463.21021	2.7
478.23566	23.7
479.23935	1.9
493.25931	100.0
494.26205	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	493.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
57.03447	5.2
59.01379	100.0
61.07822	1.4
61.98831	15.1
69.52977	5.9
71.01382	28.7
72.99315	1.8
73.02953	11.2
75.00871	4.8
79.88639	1.4
81.03436	2.3
82.95411	2.5
83.01392	5.3
85.02959	11.1
87.00872	3.5
89.02437	30.7
93.03449	5.3
95.01396	3.4
96.95998	4.4
97.02959	3.2
98.21824	2.6
99.00917	1.7
101.02438	18.0
107.01439	2.0
109.02942	10.3
111.00869	1.6
113.02440	14.2
116.92873	1.6
119.03518	11.2
121.02959	5.3
123.00891	4.9
123.04539	7.3
124.01652	19.4
125.02449	36.3
126.02779	1.5
131.03465	2.0
135.04506	1.9
136.01627	1.9
137.02428	16.1
139.04013	10.1
139.11275	5.2
143.03493	4.1
145.02991	5.9
149.02423	4.6
150.03177	1.7
151.04073	3.3
159.04515	2.8
161.02441	5.1
161.04549	6.4
161.05978	3.1
162.03264	1.6
163.04041	1.9
164.01114	8.3
164.03491	4.4
165.01918	7.9
165.03929	2.2
167.03552	1.7
168.00648	20.5
169.01440	9.0
179.03450	5.3
179.05621	9.6
183.02983	64.2
183.10237	5.0
184.03381	2.9
185.03479	2.5
185.06104	2.3
187.04022	3.4
188.04683	1.8
190.02713	2.2
191.03401	1.7
192.00647	64.3
193.01396	52.1
194.02075	3.4
201.14876	1.7
203.07135	7.2
205.01472	2.8
205.05049	5.2
206.02158	2.6
207.02983	26.1
208.03270	1.7
221.08286	1.8
225.04004	2.7
231.02946	2.3
234.01674	5.6
235.02399	4.2
236.60155	1.6
245.08232	10.8
245.10738	2.6
253.05115	2.7
271.06116	11.0
271.19144	2.7
287.02005	4.9
289.07172	54.9
290.07593	3.8
291.07648	4.9
305.06711	3.8
315.01471	8.8
316.02234	8.4
331.04498	6.5
373.22421	3.9
391.23792	1.6
405.22357	2.2
433.24484	32.7
449.20697	3.5
451.25836	1.7
455.09787	18.2
456.10031	2.1
457.10294	3.5
475.22037	2.5
493.09912	52.3
493.23312	25.4
494.10019	2.5
494.23105	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	493.2959
Annotation	Kleinioxanthrone 3
Peak:m/z	Relative Intensity
53.05752	0.7
53.26108	0.7
54.89695	0.8
60.76786	1.0
67.87329	0.8
68.77346	0.8
69.72872	0.7
71.45186	0.7
82.03787	0.8
98.03806	1.0
113.97455	0.9
121.02931	1.2
122.03728	8.7
123.00883	1.0
123.04530	1.1
124.01643	1.1
135.04475	2.9
136.05258	4.1
137.02411	2.3
138.03221	27.2
148.05292	1.3
149.06038	5.7
151.04001	2.0
161.05978	1.0
163.03961	2.1
163.07651	1.4
163.79945	0.9
164.04796	4.7
177.05594	1.7
178.06308	7.5
191.07100	1.9
196.00067	0.7
254.56401	0.8
327.23273	1.0
343.80911	0.8
435.25342	1.2
451.28476	3.7
465.29907	5.5
475.28497	2.9
478.27148	2.7
493.29568	100.0
494.29810	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	493.2958
Annotation	Kleinioxanthrone 3
Peak:m/z	Relative Intensity
59.01372	9.1
62.73751	0.9
75.00877	2.8
78.95893	9.6
78.96265	0.9
88.80679	0.8
89.71069	0.8
96.95962	0.9
96.96954	1.1
103.01512	4.8
109.02934	0.8
110.03699	1.0
121.02922	0.9
122.03738	2.9
123.04512	16.7
124.01659	1.6
125.02413	1.7
135.03026	3.2
135.04515	1.2
136.01697	1.9
136.05316	1.9
137.02423	3.0
137.06070	2.5
138.03238	6.5
139.04039	1.3
149.06079	1.1
150.03236	1.5
151.04012	17.3
152.01239	1.1
152.04834	4.0
152.99583	18.7
154.99991	0.8
157.93994	0.9
160.84195	7.6
162.06796	2.3
162.83871	1.0
163.07558	1.1
164.04788	2.5
165.01941	1.2
165.05562	16.0
165.09343	1.0
166.02727	1.4
169.01364	1.6
173.06010	1.0
175.07643	2.2
179.07158	1.4
186.06839	0.9
201.09215	2.2
207.10176	1.4
220.10933	1.0
221.11786	3.4
247.16963	1.2
266.94229	0.9
274.15775	1.6
275.16510	3.0
275.20364	1.1
276.17261	5.8
287.20160	2.9
300.17377	1.1
301.18036	1.9
302.18848	5.5
303.19666	2.2
313.18170	0.8
313.21744	1.5
315.19656	20.8
316.20364	1.3
319.18985	3.8
331.19116	3.3
332.19833	1.0
341.21021	5.7
347.18637	1.9
359.18607	3.9
375.18015	2.2
433.23776	4.0
461.27036	4.0
478.27216	40.7
479.27570	2.1
493.20917	18.3
493.29544	100.0
494.21155	1.1
494.29959	6.4
503.04321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3321
Annotation	Auricularine
Peak:m/z	Relative Intensity
63.33642	0.7
71.01023	0.8
78.58944	0.6
81.03465	0.7
92.10854	0.7
105.07098	1.0
115.23427	1.1
117.67561	0.7
129.12132	0.8
136.05319	8.2
137.06081	2.5
148.05276	1.0
149.06085	10.1
151.07571	0.9
161.06064	0.9
163.07600	4.6
173.06032	1.3
175.07520	1.7
177.09148	1.2
205.12257	1.3
315.23135	0.9
327.23334	1.2
336.23181	1.3
364.60034	0.8
463.28375	2.4
466.22968	1.0
493.33255	100.0
494.33475	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98828	100.0
69.44724	0.5
69.45103	0.6
82.29147	0.2
97.94519	0.2
125.02442	0.6
175.35152	0.3
227.03468	4.6
229.05122	1.0
255.02994	7.5
256.03790	0.6
257.04581	0.6
284.03256	9.0
285.04013	8.7
297.34323	0.3
414.96881	0.3
431.09799	18.2
432.10480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98540	0.7
61.98829	9.6
69.21582	1.2
69.21998	1.5
81.03442	1.8
83.05028	7.2
91.41300	0.5
98.22704	0.9
99.99131	0.5
124.01680	1.1
125.02397	0.5
125.07207	0.5
134.01027	0.5
136.93221	0.5
138.03204	1.3
152.01146	1.8
153.01961	0.6
166.02745	1.2
180.00644	2.1
192.00609	1.0
193.01263	0.6
200.33080	0.5
207.15036	0.8
224.17720	1.3
225.04010	0.7
225.16071	5.8
232.87944	0.5
242.18799	0.6
249.04012	0.5
295.18567	0.5
309.06067	0.5
327.07138	2.9
333.23029	1.2
351.24081	0.5
359.43796	0.6
367.27130	0.8
433.31934	4.5
434.24844	0.6
434.31863	0.7
451.32880	100.0
452.33243	4.9
494.33484	5.3
495.11453	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	495.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01465	1.7
61.98569	0.7
61.98915	4.3
65.49168	0.4
69.35333	2.2
71.01496	1.4
71.02045	0.4
73.03014	0.5
78.91962	0.5
81.03566	2.3
83.05141	7.1
85.03035	0.5
88.26890	0.4
88.46342	0.4
88.69018	0.4
92.70905	0.4
95.01485	0.7
98.22705	0.7
101.02544	0.9
107.01485	0.6
108.02296	1.5
109.02287	0.9
109.03085	13.8
113.02563	1.0
120.99766	0.6
123.00887	4.3
123.04639	0.8
124.01652	2.2
125.02438	2.5
125.07346	1.3
135.04654	0.6
137.02538	0.9
138.03217	4.5
139.00552	0.6
139.04135	1.2
143.08334	0.4
152.01169	2.7
153.00731	0.9
153.01929	20.6
153.05704	1.5
154.02425	0.5
161.02585	0.4
161.04660	0.6
165.05626	0.5
166.02875	1.8
166.99821	3.9
167.03543	2.2
168.00659	1.9
169.01572	1.2
179.03705	0.5
180.00638	3.2
182.02211	8.5
183.02965	4.0
192.00833	1.4
193.01381	0.9
194.99486	1.3
195.03067	1.0
196.03789	0.8
197.04529	6.4
206.02274	0.8
207.03104	0.9
208.03719	0.6
222.01797	0.6
224.17853	1.5
225.04050	2.1
225.16068	6.8
226.16615	1.1
234.01822	0.7
237.04221	1.3
249.04155	0.5
255.05270	0.8
297.06168	8.3
297.09354	0.6
311.07870	0.6
312.04959	1.0
324.26688	0.6
327.07147	6.0
327.10892	0.4
328.07571	0.5
328.70587	0.4
333.22961	1.3
334.23029	0.5
341.08759	0.5
345.08621	0.5
351.24179	0.7
367.27103	1.0
427.02603	0.4
433.31863	3.7
434.24881	0.7
434.32025	1.6
451.12338	1.6
451.32864	100.0
452.33191	38.8
453.33472	0.6
494.33578	4.4
495.11380	24.8
495.33865	1.5
496.12076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30364	0.4
57.03425	0.5
57.77084	0.3
59.01382	5.1
61.98828	6.9
69.17266	2.1
71.01380	3.2
73.02930	0.5
78.91861	0.4
81.03432	0.9
83.01370	0.7
85.02937	1.3
88.12741	0.3
88.98807	0.3
89.02438	1.6
91.01911	0.6
95.01407	0.7
97.02966	0.3
98.22638	0.7
99.00865	0.3
101.02431	1.7
102.16027	0.3
107.01378	1.8
108.02170	3.0
109.02950	74.1
110.03309	1.1
113.02448	1.1
119.03488	0.7
121.02937	3.8
123.00857	1.9
123.04541	1.3
124.01687	2.0
125.02465	3.4
127.00372	0.4
133.02962	0.7
135.04495	2.9
136.98772	0.4
137.02431	1.4
138.03201	1.6
139.00401	0.4
139.04008	1.8
149.02441	0.6
149.06036	0.6
151.00401	0.6
151.03975	0.4
152.01151	1.1
153.01933	100.0
153.05383	2.5
154.02267	1.8
161.02490	0.9
165.01932	0.6
166.99837	1.0
167.03488	0.8
168.00653	2.2
169.01416	2.7
177.01952	2.6
178.41733	0.4
181.01439	1.3
182.02176	2.3
183.02971	5.3
187.13449	1.7
192.00719	0.6
193.01251	0.5
195.02971	2.4
196.03751	1.0
197.04559	6.1
207.03116	0.6
208.03412	0.5
209.04565	0.5
211.02480	1.6
211.06155	0.8
221.04578	0.4
223.51396	0.4
224.03328	1.1
225.04031	2.6
226.04480	0.4
236.02229	0.4
239.05617	4.8
249.04073	0.5
255.05020	1.9
271.04538	2.2
285.06244	1.5
297.06299	3.2
297.09656	0.7
299.07773	1.4
311.06766	0.4
315.11084	1.4
352.81555	0.4
433.07782	2.1
482.71240	0.4
495.15445	23.2
496.15704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34958	0.4
50.64505	0.4
53.54378	0.4
57.03433	0.4
59.01374	10.2
61.98825	3.6
67.01873	0.7
68.20233	0.4
70.24434	0.5
71.01383	5.0
73.02940	0.8
78.01102	0.5
81.03454	1.3
83.01387	0.7
85.02934	1.9
87.00862	0.6
89.02436	4.0
91.01869	1.0
93.03469	0.8
95.01366	1.5
96.35870	0.4
96.96001	0.4
99.00874	0.5
101.02431	3.0
106.00616	0.8
107.01382	3.1
108.02177	3.7
109.02947	74.7
110.03280	1.4
111.00897	1.3
113.02441	2.2
119.03488	1.7
121.02939	9.6
123.00872	4.1
123.04508	1.7
124.01653	3.6
125.02448	4.7
125.99504	0.5
127.00378	0.5
133.99727	0.4
134.03784	0.7
135.04523	10.8
136.98853	1.0
137.02426	2.7
138.03212	3.2
139.00351	1.6
139.04004	5.7
140.01091	0.8
141.01959	0.7
149.06052	0.9
151.04095	0.4
151.06641	0.5
152.01128	1.2
153.01930	100.0
153.05501	8.0
154.02286	2.1
155.02362	0.5
155.03522	0.6
161.02440	0.8
165.01903	0.5
166.99844	3.6
167.03500	1.3
168.00630	5.2
169.01421	5.5
177.01881	2.0
181.01404	3.5
182.02188	4.2
183.02969	11.7
187.13402	0.8
192.00645	1.4
192.02325	0.5
193.01245	1.3
194.01126	0.8
195.02983	4.4
196.03656	3.3
197.04568	15.3
206.02234	0.5
207.02948	1.1
208.03426	0.5
210.01709	1.1
211.02463	4.0
211.06105	1.6
224.03267	3.6
225.03989	6.2
226.04335	0.7
230.86458	0.5
234.01695	0.9
235.02013	0.7
236.02118	0.6
239.05580	11.8
249.04019	0.7
250.04483	0.4
251.04749	0.5
255.05127	2.2
256.05444	0.9
257.05624	1.2
269.06750	1.0
271.04581	5.7
285.06070	3.7
297.06168	2.7
297.09796	1.3
299.07715	2.1
309.06003	0.6
311.06580	1.0
315.10846	3.7
327.07211	0.5
433.07626	1.2
451.33643	0.5
480.13116	0.7
495.15158	69.0
496.15479	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	495.164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	2.1
57.03460	4.1
59.01378	100.0
61.98820	7.9
69.08591	15.6
71.01366	10.0
73.02950	2.1
78.91888	5.0
82.95442	4.0
83.01389	2.6
89.02456	7.3
96.96000	2.2
98.21891	5.5
101.02435	5.5
101.21081	2.1
109.02969	3.9
113.02482	3.6
122.53414	2.4
124.01680	3.4
125.02448	22.7
131.03365	2.1
136.84662	2.1
137.02446	6.1
138.03194	4.1
139.03975	4.1
147.85481	1.9
149.04573	3.3
151.00415	3.5
159.04486	3.6
161.02417	5.8
164.01149	3.0
165.01918	5.1
165.09206	13.1
166.02824	2.1
167.03450	5.6
169.01411	5.0
177.01900	5.1
178.29797	2.1
199.82587	2.0
221.04630	3.8
231.13872	21.1
281.10071	1.8
281.13800	10.2
282.14825	12.2
293.08755	6.5
295.05981	5.9
297.16940	4.3
307.15714	2.4
315.12360	2.3
329.06433	22.0
333.20627	5.4
337.74231	2.1
448.22781	3.4
459.22180	6.0
495.16321	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
59.01381	9.5
61.98816	3.1
69.03458	6.2
71.01392	4.5
71.44753	0.6
73.02926	1.0
78.91890	1.1
79.01884	3.0
81.03451	0.8
85.02972	0.8
87.38384	0.5
89.02435	3.7
95.01413	0.8
97.02956	3.9
99.00857	0.7
101.02437	2.4
107.01394	7.3
108.02176	4.7
109.02955	4.1
111.00915	0.7
111.76637	0.6
113.02453	1.6
121.02953	4.5
122.03717	1.2
123.00947	0.6
124.01685	0.8
125.02445	14.4
125.03308	1.2
125.55750	0.5
129.05571	0.6
135.00897	10.2
137.02441	6.3
139.04083	0.7
139.11305	1.7
149.04515	1.3
151.00365	2.1
152.01128	1.3
153.01927	4.6
155.10815	1.4
161.02414	1.5
161.04559	1.3
166.02711	6.3
167.03491	100.0
168.03821	2.0
169.01447	1.2
177.01881	0.8
183.10266	8.5
213.03008	0.7
221.11894	3.1
233.06628	0.9
237.11282	3.0
238.11952	0.9
279.05066	0.6
293.08810	4.4
295.06244	0.9
297.06104	2.7
333.20645	1.4
393.16537	0.7
411.64606	0.6
430.31677	0.6
463.15829	0.9
467.62964	0.7
495.18091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46625	1.7
59.01378	100.0
60.39410	1.8
61.98826	9.1
70.47799	2.4
71.01373	9.4
73.02961	4.2
76.72325	1.6
78.95906	4.2
80.11271	1.8
83.01401	2.1
85.02937	5.1
89.02472	10.0
90.09898	1.8
94.98085	2.3
96.96041	2.0
101.02425	6.7
112.54278	1.9
113.02436	7.4
119.03526	3.1
125.02419	2.1
147.04831	1.8
152.99568	4.0
161.04567	1.8
169.01480	3.3
192.00653	3.3
193.75330	2.0
239.99521	1.8
306.79587	1.9
355.21320	3.7
373.22263	7.9
415.23346	19.7
451.26355	2.5
495.19849	4.2
495.29965	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02544	0.5
57.03432	1.3
59.01376	5.6
60.99010	0.9
60.99303	13.5
61.86340	0.4
61.98825	2.5
69.03462	0.6
70.00204	0.5
70.00544	0.9
71.01379	2.6
73.02953	1.0
75.00882	0.8
81.03465	0.7
83.01395	1.1
85.02932	1.6
87.00868	1.9
88.00380	0.7
88.98804	100.0
89.02440	42.0
96.96003	0.9
97.02949	0.9
99.00894	0.4
101.02431	1.4
107.01377	0.7
109.02972	1.9
113.02451	1.2
118.34855	0.5
123.00861	1.0
123.04546	0.5
124.01705	0.8
125.02448	27.9
126.02776	1.6
127.02855	0.6
137.02441	6.2
139.04016	0.8
140.07190	0.9
148.90968	1.3
151.03952	0.5
153.01935	1.6
161.02449	2.1
161.04555	0.6
165.01933	1.2
165.05586	1.0
165.81322	0.4
166.99747	0.6
167.03502	1.3
168.28670	0.5
169.01422	49.0
170.01775	2.0
171.01894	1.6
177.01903	0.6
179.03479	1.5
193.01465	1.1
201.11322	1.4
219.06708	0.6
246.04611	0.5
256.03732	0.5
287.05493	1.1
305.06674	2.2
315.04941	1.1
315.08667	0.4
324.14999	0.6
331.04440	0.8
332.62628	0.5
333.06076	1.8
333.09744	3.0
451.18338	0.9
457.07895	4.4
495.10944	2.4
495.16699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81500	0.5
51.93090	0.5
52.22455	0.5
52.30725	0.5
59.01363	1.5
69.52186	1.8
71.01379	1.2
72.99294	0.9
75.00471	1.0
75.00871	15.2
78.95862	0.8
79.61895	0.5
80.10697	0.6
87.00842	0.6
89.02430	2.4
93.03466	1.0
95.01385	1.3
96.02184	1.2
98.21857	1.0
104.68751	0.7
105.01971	0.6
105.51015	0.6
106.04243	0.6
107.01389	0.9
108.02177	1.3
109.02915	1.6
110.03761	0.9
115.00348	0.6
117.01931	1.0
118.89962	2.0
120.89687	0.8
121.02942	1.1
122.03735	2.2
123.00857	3.7
124.01653	4.1
125.02402	0.6
132.02199	0.7
132.05795	0.6
135.03003	18.6
135.04532	0.8
136.01656	7.2
136.05244	1.3
137.02481	2.9
138.03212	1.3
145.01463	1.1
146.07324	0.7
149.02431	1.4
150.03230	4.2
151.00348	4.2
152.01164	4.1
152.99538	1.4
163.04015	0.6
164.01115	2.7
164.04755	1.9
165.01924	1.7
166.02692	2.1
178.02655	0.7
191.23660	0.6
192.00652	0.7
223.20755	0.9
231.21162	2.0
231.76401	0.7
243.20892	0.7
245.22852	0.7
247.20708	3.0
259.20654	2.2
261.22208	1.6
277.21716	1.9
289.21704	3.8
293.21164	2.4
303.19580	1.6
305.21216	15.1
306.21487	0.8
307.22687	0.8
317.21088	0.8
319.19238	0.9
319.22772	1.2
320.19754	1.0
321.16858	1.3
321.20673	26.4
322.21222	1.3
326.47626	0.7
331.19153	1.1
333.20694	27.3
334.21091	0.9
335.22269	5.4
336.19360	1.4
343.22833	0.6
345.20679	1.2
347.18384	1.6
347.22266	1.5
348.19302	0.8
349.16214	0.9
349.20221	10.6
351.21606	1.7
359.18393	1.2
359.22357	1.0
361.20145	16.2
361.23947	1.1
362.20670	0.8
363.21643	4.2
367.21051	1.1
375.21848	1.9
376.18848	1.9
377.19647	9.9
379.21176	1.7
389.23657	0.9
391.21307	4.8
403.21185	0.8
405.22781	0.8
407.24356	0.9
421.22318	1.2
435.20023	1.3
451.23297	5.7
495.22260	100.0
496.22714	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	495.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76730	0.6
59.01374	2.7
61.98819	2.3
70.98989	1.1
71.01398	1.7
73.94917	0.6
75.00875	14.4
78.95889	0.7
87.00845	0.8
89.02445	1.4
93.03459	1.1
95.01392	0.6
96.02171	1.2
107.01387	1.0
108.02174	0.7
108.40823	0.6
108.51544	0.6
109.02934	1.1
117.01960	0.9
121.02922	0.9
121.65730	0.6
122.03742	2.5
123.00881	2.4
124.01678	3.0
135.03008	17.0
136.01672	6.7
138.03229	1.6
149.97353	0.7
150.03223	3.4
151.00356	3.2
152.01163	2.1
152.16270	0.6
152.99582	1.0
164.01149	2.0
164.04755	1.2
165.02002	1.2
166.02740	2.1
209.81511	0.7
223.20628	1.0
231.21159	2.4
247.20695	2.4
249.22243	0.9
259.20645	2.7
261.22281	1.9
277.21710	1.2
289.21805	3.5
292.20279	0.9
293.21225	3.1
303.19598	2.1
303.23026	0.8
305.21207	14.5
306.21594	1.0
307.22830	1.3
319.19131	1.5
319.22757	1.5
321.20703	24.1
322.21210	1.1
333.20709	26.8
333.24719	1.4
334.20886	1.1
335.22189	4.2
336.19434	0.8
347.18466	1.3
347.22241	1.7
348.19156	1.0
349.20242	12.1
349.24286	0.6
351.21719	1.7
359.22430	0.8
361.20166	14.5
362.20090	0.9
363.21780	4.2
367.21344	1.1
375.21924	1.4
376.18845	1.8
377.19687	9.6
379.21167	1.6
387.21869	0.7
389.19611	0.8
391.21204	4.3
399.36896	0.7
403.21240	1.3
407.20267	0.8
435.20303	1.8
443.32135	0.7
451.23257	5.9
495.22357	100.0
496.22543	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	495.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13911	0.8
59.01369	2.9
59.72381	0.6
64.48783	0.6
70.99176	1.2
71.01381	1.0
72.99308	0.8
75.00871	18.1
89.02443	2.6
89.25336	0.8
90.67647	0.6
91.77240	0.6
93.03467	1.5
95.01382	1.0
96.02197	1.3
101.97652	0.6
106.04208	0.8
107.01382	1.1
108.02160	1.4
109.02937	1.4
111.00919	0.9
121.02898	0.9
122.03755	2.6
123.00893	2.7
124.01627	4.3
131.03061	0.6
133.06636	0.7
135.02998	20.3
136.01643	7.5
136.02582	0.8
136.05272	0.9
137.02484	1.5
138.03253	1.6
145.01440	0.8
149.02441	1.1
150.03209	4.2
151.00316	4.9
152.01117	2.9
164.01138	2.1
164.04796	2.9
165.01949	1.3
166.02689	1.8
171.65869	0.7
191.07089	0.6
192.00537	0.8
192.04416	0.6
223.20662	1.7
231.21159	2.9
247.20706	3.7
249.22156	0.8
259.20633	2.9
261.22256	2.2
277.21738	1.8
289.21729	4.0
293.21265	3.0
303.19650	2.4
305.21243	16.7
307.22803	1.5
315.19336	0.8
319.19165	1.1
319.22897	1.1
320.19720	1.3
321.20700	29.0
322.20935	1.0
331.22739	0.8
333.20700	28.5
334.21011	1.8
335.22278	4.9
336.19318	0.8
345.20526	1.3
347.18582	1.6
347.22177	2.0
348.19125	1.4
349.20227	14.1
349.24048	0.7
350.20609	1.2
351.21924	1.7
359.18237	1.2
359.22366	2.1
361.20181	18.8
361.24393	1.5
363.21707	6.0
373.20340	0.9
375.21686	1.5
376.18707	1.2
377.19571	9.9
377.23792	0.8
379.21295	1.7
389.23557	0.9
391.21295	4.9
414.78519	0.7
435.20279	1.3
451.23297	5.3
495.22348	100.0
496.22675	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	495.2385
Annotation	Fuscaxanthone H
Peak:m/z	Relative Intensity
57.72140	0.5
60.32574	0.6
61.98789	0.6
63.83913	0.6
67.01878	1.1
69.30889	1.2
69.31293	1.9
78.95873	0.9
82.42470	0.6
83.01343	0.6
92.56743	0.6
95.01373	3.1
96.02172	1.2
108.02135	1.8
109.02920	2.7
110.00085	1.6
111.00851	1.7
121.02937	1.0
122.03688	1.9
122.99987	0.9
123.00880	17.5
123.04478	1.0
124.01666	8.8
125.02410	0.8
137.01450	1.1
137.02440	16.4
138.03217	1.1
139.00340	1.7
150.03201	1.8
151.00340	1.6
151.04012	4.1
152.01125	3.3
152.99518	1.2
163.03943	2.1
165.00691	0.8
165.01935	12.4
165.05515	2.7
175.03986	0.6
177.05612	2.9
179.03514	1.3
179.07091	0.9
190.06366	0.6
191.06996	0.7
193.08650	2.2
203.07111	1.1
217.67480	0.7
222.08817	0.7
247.13274	1.3
261.14993	0.7
271.13358	0.6
287.16528	1.4
297.69168	0.6
315.15738	0.7
397.23483	0.8
435.21497	1.2
449.23148	1.9
463.20859	7.0
467.24368	9.3
477.22913	1.5
487.11627	0.7
495.23700	100.0
496.24133	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	495.2399
Annotation	CHEMBL485285
Peak:m/z	Relative Intensity
52.75066	0.4
59.77270	0.4
59.83586	0.4
60.35000	0.5
62.36756	0.5
66.00463	0.4
67.80962	0.4
69.39905	1.0
69.40285	1.0
75.00847	0.6
82.73018	0.4
90.14303	0.4
91.61364	0.5
109.02976	0.4
122.03744	0.9
122.92243	0.6
123.00900	1.9
123.04520	1.9
124.01635	1.0
135.02989	0.8
136.01630	0.6
137.02431	1.6
137.06131	0.5
148.01678	0.7
150.03258	0.5
151.03958	2.3
152.01166	0.4
152.99574	0.5
161.02415	1.4
163.00365	4.8
163.04008	0.5
164.01115	2.1
165.01920	0.7
165.05550	1.9
171.04630	0.4
171.46579	0.5
173.02411	1.3
174.03163	1.1
175.04012	1.3
176.01093	0.9
177.01920	0.7
177.05557	0.5
187.03996	2.3
189.00214	0.9
189.01924	14.3
189.05682	0.6
190.02457	0.6
199.03877	0.4
201.01921	2.5
201.05615	0.6
202.02716	1.7
203.03386	0.4
215.03487	9.0
228.04381	0.5
240.04193	1.4
253.05005	0.9
254.02090	1.1
254.05760	1.0
268.03778	1.9
270.01776	0.6
270.05127	0.6
279.06406	0.5
281.04575	3.5
282.05304	4.2
283.06039	0.6
284.03278	0.5
288.17120	0.4
293.17404	0.6
295.02621	0.9
295.06082	5.9
296.06647	1.0
297.00287	1.3
298.01236	2.9
305.21118	0.9
307.09775	1.6
309.07697	1.8
311.01965	0.6
313.18198	0.7
314.04410	0.6
321.20798	1.3
324.09851	0.6
333.20648	1.4
337.10751	1.7
341.17444	2.2
349.20078	0.8
351.12201	1.6
352.12802	0.9
361.20303	0.7
363.23029	0.6
365.13947	1.3
366.14453	0.6
379.15552	1.2
393.16873	5.0
394.76718	0.5
396.11426	0.5
407.18457	1.1
408.18948	0.8
411.21466	0.5
419.22211	3.7
421.20511	0.7
421.25912	5.9
435.21622	5.0
436.22476	3.5
436.28268	3.0
437.17471	1.3
437.23325	0.5
442.27142	6.8
443.28052	0.6
444.27814	1.2
451.30646	2.0
452.21970	0.8
457.29507	8.9
457.35468	0.7
458.30594	0.6
459.30267	1.6
462.20413	1.3
463.21301	7.3
464.21817	0.6
479.20605	0.6
480.21545	22.3
480.28214	1.6
481.21606	1.1
495.23810	100.0
496.24149	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	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76624	0.8
55.01883	4.7
57.03443	2.8
59.01377	61.7
61.98830	8.7
69.03445	1.4
69.31290	4.1
71.01378	34.5
72.99305	1.2
73.02942	19.1
73.70829	0.9
75.00863	1.5
83.01394	10.3
85.02952	21.4
87.00863	1.1
88.17479	1.1
89.02437	8.4
95.01381	2.2
97.02950	2.6
98.21860	1.9
99.00862	4.6
101.02443	41.7
103.04031	1.3
106.02297	0.9
113.02442	16.1
119.03502	1.6
123.04507	1.9
125.02446	2.9
136.21159	1.0
143.03508	2.0
143.53030	0.9
159.02989	1.9
161.04564	9.8
169.01463	1.1
169.06123	0.9
179.73686	0.9
193.01360	1.0
289.16547	59.6
290.16858	1.1
430.87155	1.2
435.22278	100.0
436.22519	3.5
495.18921	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.1
65.00290	2.8
71.44933	2.5
75.00879	17.9
78.95913	6.0
89.02440	3.5
89.96889	2.4
98.39165	2.3
103.01492	15.2
109.02970	5.6
122.03744	3.8
123.00913	3.9
124.01655	5.0
135.02985	16.1
136.01680	10.5
137.02435	7.1
141.09042	2.3
146.90645	2.3
150.03241	4.8
151.00360	3.7
151.04019	7.0
152.01105	3.3
152.99602	11.4
160.84181	25.0
162.83897	23.2
164.01051	3.3
164.04866	2.5
164.68150	2.2
165.01906	2.4
231.21228	3.3
247.20822	3.4
289.21823	6.6
293.21088	3.2
305.21323	14.1
321.20715	25.6
333.20663	31.4
334.21332	5.0
335.22330	7.3
349.20297	14.1
361.20218	15.6
363.21808	4.1
375.21829	3.3
377.19693	7.3
391.21249	4.9
451.23489	4.5
480.28558	12.0
495.22397	100.0
495.30893	16.0
496.23303	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	495.2751
Annotation	Ardisenone
Peak:m/z	Relative Intensity
58.63468	0.4
59.01396	0.5
64.84776	0.4
68.53852	0.5
78.95913	0.6
85.00437	1.9
86.91110	0.4
95.01383	1.2
98.22261	3.0
108.02181	1.9
109.02946	6.2
110.03711	0.7
121.02927	0.5
122.03722	1.2
123.00883	2.6
123.04506	1.6
124.01646	3.5
125.02430	2.1
137.02448	11.4
138.03241	5.2
150.03220	1.0
151.04002	9.9
152.99524	1.2
161.02515	0.6
163.03996	1.4
164.04797	0.7
165.05542	1.6
175.04007	0.6
177.05557	2.1
179.03471	0.8
193.08713	0.6
197.81741	0.5
207.10262	1.2
214.02783	0.5
216.00652	1.1
242.02234	0.9
243.03093	0.6
255.02983	0.8
256.03671	0.5
257.00928	0.9
267.23312	0.7
271.13403	0.6
281.91925	0.4
301.18140	3.1
302.18817	2.4
314.18915	0.5
315.19696	1.3
327.08612	1.1
329.21277	1.2
351.22845	0.5
377.24927	0.7
379.22794	1.4
381.13339	2.3
393.24411	1.0
421.24240	2.5
437.23560	4.7
447.21738	1.6
448.22552	1.0
449.23242	9.6
450.23349	0.7
452.25409	1.3
463.24860	2.6
465.22690	7.6
467.27838	3.3
477.26807	0.8
480.25125	26.0
481.25320	1.2
495.27530	100.0
496.27945	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	495.2751
Annotation	Ardisenone
Peak:m/z	Relative Intensity
59.01405	0.6
61.98836	1.1
71.42905	0.5
77.08083	0.5
79.05535	0.5
81.03454	1.1
93.03452	0.9
95.01373	0.8
96.02165	0.7
97.60673	0.4
104.55720	0.5
108.02167	7.4
109.02959	11.1
110.03712	0.9
121.02958	1.4
122.03748	2.8
123.00883	2.8
123.04549	3.9
124.01670	4.9
125.02438	1.5
134.03729	0.8
135.04561	1.1
136.01610	0.6
136.05295	1.6
137.01419	1.1
137.02448	18.4
138.03224	4.3
142.31413	0.5
148.05309	0.8
148.32300	0.5
149.06081	0.7
150.03189	0.7
151.04002	18.0
152.01103	0.5
164.04720	0.6
165.05597	3.1
166.46275	0.5
177.05566	8.6
179.07181	0.6
189.05513	1.1
191.07220	0.9
193.08636	1.6
207.10283	1.6
208.10950	1.1
221.11803	0.6
237.13600	0.5
261.14938	0.9
271.13431	1.3
287.19965	0.8
301.18109	4.3
302.18823	5.4
314.18936	1.0
315.19556	2.5
329.21240	1.6
435.25284	4.1
453.26401	14.3
454.27222	0.7
463.24756	2.8
477.26489	0.8
480.25137	28.6
481.25726	1.7
495.27515	100.0
496.27853	6.9
497.08685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2751
Annotation	Ardisenone
Peak:m/z	Relative Intensity
59.01385	1.2
59.36245	1.0
61.98830	1.7
65.09255	0.9
69.67188	2.8
75.00868	3.0
78.95905	1.7
84.16254	1.1
88.96109	1.0
95.01389	2.4
107.05051	1.3
108.02185	1.1
109.02950	2.7
110.00079	1.3
111.00850	1.5
118.68253	1.1
121.03003	1.5
122.03736	2.0
123.00889	23.0
124.01675	6.1
125.02444	1.6
135.03000	4.6
135.04549	3.8
136.01671	2.1
137.02455	12.7
138.03166	1.6
139.00449	1.1
149.02470	1.9
150.03262	1.4
151.00366	3.5
151.04021	1.5
152.01173	3.2
152.99541	2.5
163.03993	3.1
164.04848	1.9
165.01913	14.2
167.03467	1.3
177.05548	10.1
193.08731	2.9
205.08679	1.3
259.13394	1.7
286.22766	1.1
287.16748	1.7
293.17764	2.1
294.33524	1.1
305.21307	2.8
315.16086	1.5
321.20734	6.4
333.20679	6.8
349.20215	3.0
361.20212	4.3
377.19769	2.4
379.21445	1.2
463.24850	3.6
465.28613	1.3
467.27939	2.6
480.25049	10.4
480.30939	1.7
495.22174	10.3
495.27670	100.0
496.28021	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87691	2.6
58.04094	10.9
59.01354	4.7
61.98825	3.3
66.03493	2.5
68.99803	2.3
78.95896	14.9
84.94476	2.5
95.01371	3.6
96.96944	3.7
109.01682	9.5
123.00900	17.5
123.03262	3.2
124.00392	13.8
125.01142	3.6
125.08312	3.4
137.01170	10.9
137.02280	3.0
138.02022	11.7
149.02431	3.1
149.78763	2.3
150.01968	20.5
151.02757	12.0
152.03545	3.6
152.99603	13.7
164.03540	7.0
169.01308	2.6
209.11847	3.3
211.13469	5.6
219.17474	3.7
220.20726	7.7
236.20233	5.0
250.18126	8.4
254.97522	2.8
260.23779	7.1
264.19699	63.6
265.18042	10.0
277.16971	4.2
278.17615	66.4
279.18304	9.5
280.19211	33.6
286.21515	2.6
289.26550	7.1
304.22659	6.9
305.25906	10.4
316.22690	5.9
321.25333	3.2
332.22156	8.0
333.25430	32.7
338.19656	21.3
349.24924	19.1
365.27872	7.2
374.24445	8.8
375.27661	77.8
376.26053	5.4
377.24387	28.5
391.22375	4.6
391.27127	62.6
419.26599	100.0
420.26807	5.0
451.29300	21.5
452.97156	2.5
495.28271	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	495.3114
Annotation	Secaubryolide
Peak:m/z	Relative Intensity
61.98814	1.1
66.83494	0.7
75.69239	0.6
78.95896	1.3
82.25933	0.8
82.95445	1.8
88.19431	0.7
98.22613	2.7
110.03719	1.0
113.66177	0.7
122.03727	1.9
123.04523	21.4
124.01690	1.1
125.02441	0.8
136.05257	1.3
137.02420	4.3
137.06079	3.1
137.23122	0.7
138.03203	6.6
139.04015	1.0
147.04382	1.1
149.06065	2.1
150.03235	0.9
151.04004	22.2
152.04756	3.5
152.26300	0.7
152.99561	1.1
162.06905	0.7
164.04741	1.2
165.05556	20.2
175.07591	0.9
179.07185	2.3
200.58058	0.7
221.11902	2.7
222.12611	0.7
245.04280	1.1
252.75882	0.8
267.23239	1.0
301.17844	1.0
302.19028	1.1
305.21225	1.0
315.19611	5.3
315.22809	1.0
329.21387	1.2
330.21902	1.3
343.22733	1.4
463.28549	6.1
465.26511	1.3
469.33496	0.9
480.28827	56.2
481.29178	2.8
495.31207	100.0
496.31494	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	495.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26602	14.1
54.57124	12.5
63.10255	11.5
70.17121	14.5
70.46725	29.3
71.67119	11.5
75.67105	12.5
82.69994	11.8
105.15334	13.3
118.09813	14.5
336.02975	13.8
367.29904	37.8
383.33478	15.0
436.51974	14.8
451.39276	26.8
495.38379	100.0
514.23468	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80474	0.3
53.20625	0.2
53.38255	0.3
59.01382	5.9
60.01705	0.5
61.98829	100.0
65.96317	0.3
67.13581	0.3
69.12293	1.9
71.01408	0.7
73.02956	0.4
74.78711	0.2
76.48920	0.3
78.91353	0.2
84.94597	0.3
85.02943	0.3
88.66522	0.3
97.88632	0.3
101.02441	0.6
104.51294	0.3
125.02428	0.3
126.90529	0.3
148.36571	0.3
161.04552	0.4
255.34743	0.2
271.83759	0.3
335.22195	0.6
436.19931	1.6
496.01724	0.6
496.22348	0.5
497.23450	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	496.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70366	1.0
61.98815	6.1
78.95902	43.7
96.96958	4.5
137.05978	1.6
147.42960	1.1
150.98004	2.6
152.99583	100.0
160.84164	1.2
162.83916	33.8
162.85272	2.1
171.00684	4.1
201.11911	1.0
204.52307	0.9
222.12389	1.0
239.99846	1.0
266.98764	1.1
293.17969	1.0
433.23563	29.5
434.23676	1.2
496.23978	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	497.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51089	1.4
60.31226	1.2
63.80247	1.4
70.41042	1.6
70.41360	1.9
71.01369	2.1
81.03462	1.6
95.81824	1.2
107.01376	4.9
109.02952	2.6
123.00890	1.9
124.01675	21.3
125.02460	29.0
136.01659	3.2
137.02415	4.6
138.03235	20.6
139.00311	1.4
139.04018	2.3
150.03267	1.5
152.01160	21.1
154.40504	1.3
156.46434	1.6
158.91579	1.3
165.01892	1.5
166.02715	12.9
167.03505	3.0
168.00639	6.8
169.01436	36.0
178.02699	5.0
180.00644	52.0
181.01268	1.4
182.02208	2.5
183.02982	4.7
186.17538	1.4
192.00594	4.5
193.01385	5.9
194.02174	3.3
194.99376	12.9
195.03029	10.6
196.03755	8.5
205.01466	3.3
206.02200	1.8
207.02888	2.0
208.03717	2.3
209.00900	2.4
210.01631	1.7
211.02499	9.3
213.67256	1.4
215.44556	1.2
218.19695	1.5
222.01651	6.2
225.04016	10.9
234.01756	3.5
237.03998	5.8
241.03572	9.1
249.04045	5.7
250.04871	1.2
250.49318	1.4
255.05106	8.9
271.04559	11.8
301.05573	4.5
312.04840	4.2
313.05759	1.6
327.07196	10.2
330.05869	9.9
345.08252	100.0
346.08484	3.3
497.09326	81.0
498.09775	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	497.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52518	1.4
57.03447	5.0
59.01373	14.5
59.73805	1.4
65.03944	2.0
67.01897	1.8
69.03458	1.6
69.37263	7.0
71.01383	5.3
81.03440	3.3
83.01387	7.6
89.02448	4.4
93.03468	3.8
101.02466	2.8
102.78517	1.5
107.01389	3.1
107.05020	8.0
109.02934	13.7
111.00927	1.7
123.00880	3.6
124.01662	36.5
125.02442	92.2
133.02945	4.0
136.01656	4.0
137.02444	76.2
138.03265	16.8
139.00342	2.4
139.04037	16.8
140.01143	2.3
149.02428	3.4
150.03180	5.2
151.00462	2.0
151.04001	56.3
152.01157	17.1
164.01100	3.2
165.01875	1.6
165.04085	3.1
166.02692	16.1
167.03520	4.9
168.00638	5.5
169.01421	38.5
176.01154	9.8
177.01917	25.1
178.02615	4.6
179.03508	2.0
179.07143	3.4
180.00630	34.5
181.01416	10.2
181.05031	2.6
183.02971	5.6
188.04716	1.9
190.02739	2.5
191.03484	5.0
192.00691	4.6
193.01402	5.3
194.02180	8.6
194.99344	17.4
195.02983	9.6
196.03842	7.4
197.04443	3.2
205.01411	2.7
205.04848	1.9
207.02971	2.6
209.04591	6.3
210.01656	2.3
211.02473	12.9
211.05994	2.0
215.03438	3.0
222.01695	5.4
223.06097	2.6
225.04034	11.0
230.05751	4.6
232.03763	2.0
234.01682	4.6
237.04050	5.3
241.03568	10.1
249.03981	4.1
255.05040	9.7
258.05240	2.2
258.51743	1.5
259.06406	1.4
267.05048	1.8
271.04590	9.7
274.04730	6.2
287.09283	2.5
289.07196	19.0
301.05637	3.3
312.04773	2.2
313.05933	1.7
317.06647	100.0
318.06982	3.9
327.07144	11.6
330.05981	9.1
335.11243	2.3
344.07373	2.5
345.08234	86.4
346.08679	2.8
357.08252	3.4
359.09665	6.8
371.09781	15.6
453.14218	2.3
479.08258	2.0
497.09433	46.9
497.13339	25.4
498.09247	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	497.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.7
58.52540	0.6
59.01373	1.3
61.98833	3.3
65.00318	7.2
69.03439	0.6
69.54485	1.8
71.01377	0.7
78.51160	0.5
81.03464	3.6
82.95404	2.2
83.01385	13.7
95.01342	0.8
97.02938	1.6
98.35915	0.6
107.01384	13.5
108.02152	0.7
109.02911	1.1
121.02927	1.1
123.00885	0.9
123.04497	1.5
124.01641	4.1
125.02443	51.5
131.01393	1.0
137.02423	1.3
139.03987	1.9
139.11362	0.6
149.02417	1.3
151.00366	61.3
152.01134	0.9
161.02350	0.6
165.02010	1.2
165.90675	0.5
167.03506	4.0
168.00645	5.3
169.01422	32.7
175.00313	4.3
177.01917	0.6
177.05560	0.8
179.03391	0.6
185.08110	0.6
193.01425	4.9
195.06526	0.9
205.01405	0.8
211.02414	2.7
313.05460	1.2
331.06635	0.7
377.11935	0.7
497.16608	100.0
498.16913	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45342	0.4
57.03449	0.5
59.01374	0.5
61.98819	1.5
65.00301	0.5
68.78815	0.3
69.03474	2.1
70.09022	0.7
79.01886	0.9
81.03457	1.6
83.01379	1.3
88.79480	0.4
94.67773	0.3
95.01382	0.9
96.95957	0.4
97.02944	2.1
98.14185	0.3
107.01382	1.3
110.82672	0.4
121.02966	0.7
122.03746	1.2
123.00877	2.1
123.04460	0.6
124.01663	5.9
124.16955	0.4
125.02443	79.5
125.17227	0.4
126.02814	0.9
126.57382	0.4
131.92732	0.4
137.02435	0.9
137.06091	0.7
138.42769	0.4
139.00380	0.7
139.04077	0.4
139.11288	0.6
143.05086	0.4
146.57123	0.4
149.02422	0.4
151.00380	4.2
151.03934	0.5
153.01906	0.3
166.99855	1.3
167.03517	0.9
168.00635	10.0
169.01419	100.0
170.01752	1.4
170.07289	0.4
175.00310	0.4
179.07208	0.4
183.10339	0.5
193.01358	0.4
202.27484	0.4
211.02498	1.3
313.05692	2.6
331.06720	3.3
453.25015	0.6
455.25858	0.4
479.23077	0.5
497.16641	85.5
497.23355	4.4
498.16995	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	497.1665
Annotation	Globulusin B
Peak:m/z	Relative Intensity
59.01375	3.7
61.98822	1.0
69.03455	3.5
69.49238	1.1
69.49646	1.9
78.91884	1.5
79.01868	0.5
80.91699	0.9
81.03448	0.9
83.01365	1.2
85.02913	0.7
86.02554	0.5
91.84525	0.6
95.01405	1.0
97.02931	2.7
107.01392	1.2
108.02158	1.6
109.02961	1.4
123.00890	6.0
124.01661	22.3
125.02443	49.7
137.02420	2.2
149.99579	28.3
151.00369	3.3
152.01105	1.1
167.03506	4.5
168.00636	56.2
169.01440	5.2
181.38736	0.6
191.03432	1.2
211.02443	0.8
241.17253	0.6
261.07678	2.5
269.06619	0.8
313.05472	1.4
416.17654	0.9
497.16568	100.0
498.17017	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	497.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72757	0.7
55.01853	1.2
56.47533	0.8
57.03442	0.9
59.01382	7.3
69.86743	1.0
71.01365	4.9
72.99290	0.9
73.02914	2.3
75.00893	1.1
85.01012	15.5
85.02957	6.5
87.00878	10.7
89.02438	2.1
95.01350	1.9
96.95993	1.8
99.00877	4.0
99.02551	1.4
99.08109	1.1
101.02418	3.0
105.01927	17.4
107.01381	0.9
109.02886	1.2
109.14393	0.9
113.02426	7.2
115.02043	2.0
117.01941	1.0
119.03471	1.2
123.00867	0.8
124.01646	2.4
125.02444	11.8
127.02088	1.7
137.02443	4.2
138.03198	3.3
138.74612	0.9
143.05159	3.7
145.03116	3.1
147.03029	4.4
149.02391	1.3
150.03218	1.2
151.04027	2.5
152.01120	3.0
157.03120	1.7
165.04027	37.1
165.05417	2.0
166.02716	2.5
166.04279	1.1
168.00609	1.2
169.01431	8.2
169.02829	1.4
173.02620	1.0
177.01895	2.1
178.02618	1.0
180.00647	5.6
180.70924	1.0
182.39383	0.8
187.04208	1.2
187.07808	1.3
191.03455	1.1
194.99313	3.3
195.02914	1.2
196.03793	1.2
205.05072	1.0
211.02477	2.4
225.03981	2.0
234.01727	1.0
241.03535	2.4
255.05011	1.4
271.04684	2.0
308.15921	1.0
317.06543	3.3
327.07169	1.0
330.05890	1.1
335.07764	2.0
345.08264	14.4
349.13138	10.1
353.08893	2.3
383.87936	0.9
454.32980	1.0
496.17474	1.0
497.09448	10.8
497.16785	100.0
498.10425	1.0
498.17365	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	497.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72194	2.3
57.94796	2.2
59.01376	100.0
61.98827	6.5
69.38669	12.5
71.01379	22.0
73.02934	5.0
78.95905	4.8
82.95461	2.9
85.02944	4.5
89.02441	25.0
96.96010	20.9
96.96971	4.9
97.02929	2.6
99.00888	4.4
101.02441	11.2
104.59219	2.6
113.02477	4.7
116.92874	4.6
122.03731	4.4
125.02440	8.4
131.03490	4.3
137.06081	11.2
149.04553	12.9
163.03802	2.6
167.10783	4.9
189.09190	4.9
191.03496	15.7
233.06477	3.3
293.08783	35.7
311.09766	3.7
329.06439	23.4
335.18442	6.7
335.22244	18.6
371.69586	2.6
375.67462	3.2
411.20142	3.9
419.54404	3.1
453.21494	7.5
461.10709	3.9
497.17139	13.3
497.27786	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	497.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
61.98813	1.2
69.03452	0.6
69.37519	0.8
69.37916	0.4
69.79790	0.3
71.01382	1.0
81.03437	0.4
82.95409	0.8
83.05016	0.3
85.29317	0.3
85.46156	0.3
91.31966	0.3
93.03458	0.5
96.96017	0.5
97.02894	0.4
101.02458	0.4
109.02947	1.2
111.04523	0.4
121.02937	0.4
125.02454	0.7
137.02449	1.5
138.03220	2.2
139.04010	74.1
139.11275	0.8
140.04366	1.2
151.00371	0.8
152.01154	0.3
167.03461	0.7
168.04268	1.0
169.05058	100.0
170.05403	1.3
183.10220	1.2
313.09161	1.4
331.10342	3.7
497.20380	28.9
497.26721	1.3
498.20667	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	497.2161
Annotation	Heteroclitin B
Peak:m/z	Relative Intensity
51.11931	2.7
55.28543	2.7
56.06849	3.0
59.01376	56.2
60.17845	2.8
60.20094	3.0
66.55402	2.9
70.13953	8.2
71.01366	4.3
80.91670	4.8
85.02934	5.9
89.02380	3.7
101.02428	3.4
113.02423	5.4
122.24209	3.2
125.02405	4.3
130.10371	2.8
133.80545	3.8
138.03214	3.3
149.05954	5.1
167.03494	3.3
191.03510	40.4
203.07085	3.3
203.72383	3.2
335.18979	4.3
335.22357	26.6
376.44394	3.1
450.23047	5.7
461.10858	12.8
497.21527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2542
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
52.45557	0.9
52.64436	0.8
61.98816	0.9
64.24436	0.8
65.03936	1.3
67.01879	1.1
69.42143	1.4
69.42537	2.2
83.85216	0.8
93.03426	1.2
95.01367	2.8
108.02154	1.7
109.02930	3.4
110.00056	1.2
111.00867	1.6
121.02869	1.1
123.00885	19.3
123.04507	2.4
124.01683	5.6
125.02450	1.6
137.02448	17.3
137.99622	1.2
139.00366	3.4
151.00339	2.1
151.03978	3.0
152.01137	2.0
158.84769	0.9
165.01930	13.1
165.05583	1.2
179.07121	1.5
193.08617	2.4
195.17491	4.8
219.17427	1.7
221.08171	2.2
225.22147	0.9
247.13345	1.3
251.16515	3.9
279.16006	6.0
287.16476	1.3
301.17963	1.1
346.38458	1.0
379.14255	5.1
395.13892	0.9
397.15158	1.4
451.24893	0.9
465.22769	4.9
469.25909	7.6
479.24350	1.1
497.25363	100.0
498.25708	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	497.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.9
56.01328	1.0
57.03446	3.2
59.01379	75.0
61.98826	6.8
68.77255	1.0
69.18483	2.4
69.18887	3.6
71.01379	33.6
73.02945	19.7
80.57642	1.3
82.12742	1.0
83.01387	13.5
83.04986	1.0
85.02943	18.7
87.00885	1.5
89.02467	6.9
95.01374	2.6
96.96020	3.1
97.02929	2.5
99.00889	5.8
101.02443	44.6
103.04029	2.1
113.02444	18.1
119.03532	2.2
125.02465	5.1
129.01869	1.1
143.03473	1.2
147.15921	1.1
159.02972	3.8
161.04555	11.3
163.06151	1.5
167.10822	1.5
175.05515	1.1
209.04558	1.2
214.20763	1.1
246.00774	1.2
291.18130	59.6
293.08789	2.5
329.06500	3.0
431.06226	1.4
437.23898	100.0
438.24466	3.4
446.27411	1.2
453.20895	1.5
458.02466	1.2
497.09320	2.5
497.18488	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Sumogaside
Peak:m/z	Relative Intensity
51.05318	0.3
54.28286	0.4
55.01869	1.3
55.87566	0.3
55.95742	0.4
59.01375	4.0
59.85358	0.3
61.98827	0.6
64.70975	0.3
71.01385	0.7
73.02943	2.1
80.08990	0.3
80.91676	0.6
85.02933	0.4
85.97267	0.3
95.05038	0.6
96.96025	1.6
96.96960	0.3
98.14950	0.3
98.21864	0.8
101.02398	0.7
110.01869	0.3
113.02377	0.4
131.27570	0.3
136.05298	0.7
149.06120	0.5
167.03508	0.5
177.01917	4.1
259.17206	0.6
273.18686	0.4
275.20166	8.5
287.20258	0.7
299.20154	2.5
303.19778	1.0
305.21268	1.9
317.21161	1.4
333.20679	4.7
335.22260	100.0
336.22595	4.5
357.69174	0.4
453.21317	0.8
461.10965	1.3
497.09155	0.6
497.20358	0.6
497.27530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2904
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
52.49067	1.1
67.01857	1.3
70.88018	1.0
85.32920	0.8
95.01393	4.4
95.18025	0.9
96.02156	1.3
109.02917	2.5
110.00132	1.4
121.02971	1.1
122.03704	3.8
123.00891	23.3
123.04494	1.0
124.01691	5.0
125.02411	1.1
134.05173	0.9
135.04524	1.1
137.02443	11.0
137.06067	2.1
139.00320	1.0
142.61780	1.1
151.00316	2.8
151.04039	1.5
152.01094	1.1
159.12836	0.9
162.83884	2.2
165.01926	13.7
176.04785	0.8
177.05568	1.7
185.22568	0.9
185.61357	0.9
193.08641	2.7
221.08209	2.2
257.00879	2.5
317.21140	1.2
333.20587	2.4
339.20078	0.9
425.26971	7.7
439.24860	1.0
450.24139	2.1
465.26257	5.2
467.24033	2.9
469.29315	2.7
482.26895	7.7
497.28973	100.0
498.29654	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	497.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93230	0.5
69.80877	1.9
72.10498	0.5
72.22862	0.5
75.15334	0.6
83.07797	0.6
96.96020	0.9
98.22663	0.7
108.02122	0.9
122.03659	0.7
123.00922	0.7
124.01619	2.0
125.02446	2.5
126.13285	0.6
137.02470	1.4
161.02542	0.8
162.03273	0.6
174.03197	0.7
201.01871	0.7
215.03468	0.8
216.00616	2.9
226.02805	0.6
227.03506	2.2
228.04245	1.8
229.01389	2.1
230.02271	1.3
241.05060	1.8
242.02165	2.6
243.02986	2.2
244.00069	1.6
244.03726	1.0
255.03062	3.1
256.03827	1.4
257.00897	3.2
258.01556	0.9
267.03076	0.7
269.04422	1.1
297.07449	0.6
299.05450	0.8
313.07172	1.0
327.08630	1.6
328.46033	0.7
328.63272	0.7
329.21140	1.4
339.16092	0.8
353.13718	1.0
353.24832	0.8
355.11786	1.4
367.15384	1.0
367.26685	0.9
369.13385	2.0
371.25647	1.1
377.24469	1.4
379.26559	1.2
381.24631	3.4
383.15106	2.1
395.26044	4.3
396.19388	0.7
397.16257	1.1
397.23590	1.3
405.24384	0.7
411.17776	0.7
411.25296	1.9
421.24152	0.9
423.25558	6.5
425.19675	1.2
425.26862	4.8
426.27829	0.7
439.25327	14.2
449.23245	3.9
450.24152	2.6
451.24887	28.3
452.25226	1.6
454.27371	5.0
465.26453	2.6
467.24326	16.6
482.26672	32.6
483.27112	1.7
497.29074	100.0
498.29636	4.6
517.95135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2907
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
52.57735	0.9
53.54427	0.9
58.03017	1.0
69.52977	2.8
78.16618	1.0
78.27865	1.0
98.21923	1.9
108.02168	4.8
122.03769	1.0
126.49072	1.0
138.03189	1.1
141.52078	0.9
145.02798	0.9
148.05211	1.1
149.17049	0.9
155.08592	0.9
161.02374	1.2
162.03183	1.0
174.03200	1.1
176.01196	1.0
187.03920	2.4
199.04028	2.3
200.04810	2.1
201.01933	1.9
201.05573	1.1
202.02702	3.4
213.05559	3.8
214.06444	1.0
219.13916	4.2
221.15456	11.6
227.03491	6.7
227.07140	4.0
228.04265	1.2
229.01427	3.5
229.04858	0.9
233.89409	0.9
241.04959	1.0
243.02925	1.1
247.13434	11.1
249.14937	16.2
301.14386	2.3
311.16449	1.5
312.17197	1.8
326.18668	1.3
340.16663	3.3
342.14612	1.2
353.32050	2.1
370.14157	1.3
384.15851	9.4
397.31168	1.0
425.30609	6.3
469.29559	4.7
491.63239	1.0
497.29022	100.0
498.29788	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	497.2907
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
69.94845	1.2
71.05016	1.0
81.03450	0.8
82.92225	0.5
95.01377	1.1
96.02164	1.0
107.05059	0.8
108.02180	2.4
109.02951	11.5
110.03762	0.6
116.05066	1.2
121.02953	1.1
122.03710	1.1
123.00864	2.1
123.04530	10.8
123.08196	0.6
124.01656	4.1
125.02461	3.1
132.53239	0.5
137.02449	12.5
137.06090	0.9
138.03252	3.3
142.06592	0.6
146.03845	0.5
149.02422	0.6
149.06050	1.0
150.02061	0.5
150.03210	1.2
151.04010	17.4
151.07637	0.7
165.05568	2.0
177.05484	0.6
179.07158	1.2
193.08693	1.2
207.10229	1.6
207.64830	0.6
208.11060	0.6
232.81929	0.5
261.05228	0.5
261.14841	0.7
264.11026	0.5
264.16016	1.9
273.14868	1.0
273.18280	0.5
287.16440	0.7
292.15659	1.2
301.18036	3.5
302.18866	1.4
315.81104	0.5
329.21146	0.7
330.22064	1.5
358.16479	0.5
377.22452	3.4
409.24371	0.7
410.20856	1.2
425.23218	0.9
426.23914	0.8
438.27716	3.0
453.23785	0.6
453.30231	0.6
464.25623	2.5
465.26312	2.4
467.24396	1.1
479.28085	1.1
482.26740	20.6
483.26871	1.3
497.29117	100.0
498.29462	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	497.2906
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
61.98819	0.9
68.69100	0.3
70.97269	0.4
78.95889	1.1
81.03448	8.1
93.03452	0.4
95.01408	0.5
107.05019	0.4
108.02164	2.9
109.02943	1.1
121.02968	0.4
122.03732	25.1
123.00954	0.5
123.04518	31.6
124.04885	0.4
135.04521	1.6
136.05296	1.0
137.02438	1.6
137.06078	14.5
149.06024	0.6
151.03989	1.3
151.07573	0.5
152.99542	1.8
162.83897	1.5
163.03958	2.1
164.83594	0.5
177.05548	2.6
205.08803	0.4
233.11613	0.4
261.14761	0.5
275.16553	0.6
303.19644	0.8
321.38470	0.4
359.22171	6.9
377.63898	0.4
423.89682	0.4
455.27994	1.3
482.26797	2.9
497.29065	100.0
498.29425	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	497.2908
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
62.87783	1.0
65.03954	1.4
78.95885	1.4
81.03421	1.4
91.56195	1.3
99.92572	3.1
108.02171	2.1
109.02942	14.5
115.92078	1.5
116.92858	12.2
123.04501	2.1
124.01651	5.3
125.02443	3.1
135.04500	1.3
137.02420	15.3
138.03220	4.5
145.26680	1.3
151.04016	16.4
152.99556	2.6
165.05573	1.5
193.08760	1.7
207.10170	1.7
260.14249	1.4
301.18097	4.0
316.45026	1.5
329.21100	2.9
407.21677	1.3
449.23135	1.7
465.26459	2.1
467.24405	5.5
482.26703	33.2
497.29071	100.0
498.29416	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71060	10.8
85.79688	3.0
100.60305	3.1
104.75955	3.1
144.16414	3.4
150.03229	4.8
160.87439	3.2
174.03366	3.6
192.84970	3.5
219.13840	12.4
220.53424	3.2
229.01344	23.1
243.03038	3.3
245.00940	4.7
247.13367	44.3
248.85732	3.4
249.14874	16.8
257.00879	34.6
271.02423	3.4
273.14960	7.4
299.81750	3.4
301.14325	9.2
303.15768	3.9
304.28668	3.6
312.16666	4.9
314.15073	3.6
333.20673	8.4
341.57068	3.4
342.14410	4.0
370.14124	22.0
425.30450	7.0
453.29739	6.5
467.28442	4.6
469.29694	28.4
497.29095	100.0
498.29272	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61389	0.7
55.01888	0.8
59.01363	0.6
59.30931	0.6
69.66261	2.6
81.03453	15.7
83.72073	0.7
93.07084	0.6
95.01393	1.4
95.05038	1.6
96.02167	1.0
109.02923	2.3
110.03730	2.3
122.03769	1.0
123.00862	5.8
124.01672	3.4
125.02444	0.8
125.72714	0.6
136.05304	1.2
137.02452	4.5
137.06076	44.2
138.03209	5.6
142.02602	0.6
149.06029	1.2
150.17413	0.7
151.04004	5.0
151.07565	0.8
152.04666	0.7
152.99550	0.9
165.05537	2.1
166.02661	2.1
179.03549	3.8
193.05052	2.2
265.35617	0.6
291.28461	0.7
293.17657	0.8
297.54559	0.7
342.52548	0.6
354.44199	0.7
359.25797	1.7
425.26816	5.4
451.28363	1.4
461.27130	1.4
469.29532	14.9
470.30154	1.0
479.28217	3.7
497.28500	100.0
498.28738	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	497.327
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
55.01873	1.4
59.35526	0.9
67.10651	0.9
69.50178	3.5
74.49811	1.0
78.95899	1.4
81.03446	12.7
95.05029	1.4
123.00896	6.0
123.04530	1.2
136.05295	28.7
137.02512	4.3
137.06085	70.6
138.03217	1.0
138.06435	1.2
149.06068	1.6
151.04054	1.8
151.07640	16.7
163.03902	1.2
165.01910	3.8
181.79523	0.8
190.24715	0.8
193.08737	1.3
199.32382	1.1
275.13528	0.9
295.70020	0.9
301.25272	1.7
345.24228	3.3
359.25793	3.8
441.30197	1.3
453.33987	1.0
465.25470	1.2
469.29541	1.7
497.33191	100.0
498.32739	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	497.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85418	0.2
69.20230	1.4
79.03216	0.3
79.66805	0.2
80.24632	0.2
81.03445	0.3
108.02168	0.6
109.02956	0.9
109.06631	0.3
110.03729	0.6
115.04323	0.2
122.03745	1.9
123.04523	18.0
124.01633	1.2
125.02405	0.6
135.04478	0.3
136.05266	1.0
137.02434	3.4
137.06073	2.4
138.03223	3.2
138.93318	0.2
139.03981	0.4
147.04453	0.5
149.02280	0.2
149.06059	1.3
149.41650	0.2
150.03230	0.3
151.04002	17.3
152.04800	3.3
164.04803	0.7
165.05559	15.7
166.02713	0.4
166.05988	0.7
175.07626	0.3
178.06331	0.2
179.07126	0.8
181.53307	0.2
193.08659	0.8
193.12283	0.6
202.74458	0.3
207.10242	0.9
221.11804	2.5
222.12456	0.4
247.13365	0.3
247.17020	0.4
275.16595	1.2
276.17188	0.7
289.18048	1.3
317.24716	0.3
332.23557	0.6
345.24274	0.8
425.27066	1.1
445.14737	0.2
449.26514	0.2
453.30334	0.3
465.30020	4.7
467.28189	1.1
482.30341	62.4
483.30783	3.1
497.32721	100.0
498.33054	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	497.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.65671	0.3
59.01360	0.3
69.62914	0.4
78.95918	0.3
81.03455	40.0
81.22112	0.2
82.03784	0.2
93.03449	0.2
93.07086	1.1
95.01400	0.4
95.05022	2.1
96.02172	0.5
98.22645	0.5
109.02939	1.0
110.03715	0.9
122.03741	1.0
123.00886	3.0
123.04539	0.3
124.01660	1.2
125.02419	0.5
135.04524	0.3
136.05257	1.8
137.02568	2.0
137.06082	100.0
138.03241	2.6
138.06407	1.4
149.06087	1.4
151.04001	2.5
151.07620	0.6
165.05553	0.8
166.02678	0.5
175.04205	0.2
179.03485	2.0
191.07161	0.3
193.05011	0.8
241.05032	0.3
275.16211	0.2
329.21249	0.4
341.28580	0.4
359.25955	2.9
425.26822	2.4
437.18155	0.7
451.28235	0.4
453.33762	0.4
461.26505	0.5
469.29510	4.1
470.29813	0.4
479.28137	1.0
497.32535	55.0
498.33029	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	498.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72153	2.0
61.98825	100.0
68.99812	3.4
71.45077	2.1
83.01415	1.9
100.64236	2.0
101.02415	3.9
106.94994	2.3
107.83012	1.9
125.87376	1.9
160.84198	7.4
191.03442	6.0
203.03949	1.9
205.05099	5.5
206.05807	22.4
259.47522	2.0
277.21719	3.3
305.21130	4.5
308.62302	2.2
319.22964	2.3
332.19928	9.7
347.22223	14.6
375.21616	3.4
407.24417	6.5
420.14160	2.3
435.23837	94.5
436.24008	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	499.107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	91.0
65.15134	0.8
69.29746	0.9
71.01376	17.9
71.44537	1.1
72.99286	0.8
83.01381	0.9
85.02953	2.7
87.00874	1.5
89.02445	31.2
99.99722	0.9
101.02441	10.5
113.02448	9.8
118.96638	1.3
119.03514	10.5
125.02421	1.2
131.03513	1.1
132.98117	1.0
133.01433	1.7
143.03435	2.1
149.04573	1.1
153.53717	0.8
156.99126	15.8
161.04539	2.8
179.05620	9.9
217.00269	2.4
259.01251	1.5
341.10858	100.0
342.11206	3.6
439.07794	2.4
470.73105	0.9
524.66815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.145
Annotation	kn-93
Peak:m/z	Relative Intensity
51.19143	0.4
52.91782	0.4
55.01865	0.9
58.71001	0.4
59.01376	1.5
61.98817	0.6
64.85154	0.5
69.49049	1.5
72.99301	1.2
73.02937	1.0
81.03394	0.4
82.95431	0.6
85.02973	0.7
91.05579	0.6
99.04514	15.3
101.02436	0.7
103.05525	0.8
108.02169	49.5
109.02944	11.8
113.02456	0.9
121.02958	0.7
122.46200	0.5
124.01609	1.1
125.02453	3.4
135.04478	1.0
145.30518	0.4
147.04521	1.7
151.00424	0.6
151.04012	1.3
152.01146	100.0
153.01945	3.5
153.27953	0.4
162.03217	0.7
163.03998	2.3
165.02011	0.5
168.00618	0.9
169.01399	3.4
177.01930	0.6
179.03586	1.1
191.03496	12.0
192.00542	2.2
193.01414	2.7
193.05069	0.8
207.02965	1.0
211.02449	5.5
233.04504	1.6
267.05087	1.1
271.04517	2.8
285.06195	0.5
316.02112	0.9
399.09305	15.1
400.09518	0.6
417.10184	2.7
463.08786	23.3
463.21582	1.4
464.08960	1.4
499.14481	81.9
500.14954	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	499.1952
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
52.54952	0.9
59.01377	100.0
69.22023	6.3
71.01387	5.5
73.02956	3.1
74.39837	1.1
79.46326	1.0
82.95425	8.8
83.01386	1.1
85.02937	1.8
89.02457	5.5
99.00882	1.8
100.97239	1.0
101.02450	6.3
113.02507	2.1
123.04514	2.2
126.90398	2.3
137.02556	2.0
149.04585	2.4
191.03468	1.3
202.34592	1.0
233.06636	1.3
331.17593	1.5
337.20166	3.8
461.10928	1.5
463.21890	33.8
464.22394	2.2
493.47760	1.1
499.19412	21.5
499.26486	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1952
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
52.19445	2.7
58.46310	3.3
59.01379	19.4
71.01399	14.6
73.02953	5.6
82.95421	19.3
85.02957	4.9
89.02440	10.5
96.95989	4.2
101.02426	13.9
125.02422	8.8
151.00354	2.9
161.04530	6.7
169.01398	5.5
266.47830	3.1
268.86328	3.6
328.16898	3.2
331.17551	5.7
393.81592	3.6
463.08279	4.5
463.21866	62.3
478.88275	3.4
499.19476	100.0
500.19327	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	499.1951
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
55.76250	2.0
59.01377	4.9
70.07685	3.4
70.08001	3.8
71.01366	6.0
85.28358	2.2
89.02464	2.5
101.02436	4.4
113.02440	3.5
161.04533	4.1
164.79700	2.1
168.89510	2.2
230.94403	2.4
295.38770	2.3
315.21976	2.3
331.17651	4.3
463.21790	32.8
464.22366	2.9
499.19522	100.0
500.19879	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	499.1951
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
50.53645	2.3
59.01379	100.0
69.36156	7.0
69.36547	4.4
71.27867	2.4
82.95394	2.5
89.02481	2.4
119.03563	3.2
122.06136	2.5
155.10788	28.7
293.82492	2.2
297.71606	3.0
307.10339	2.6
327.01486	2.3
343.07980	17.8
439.23172	3.8
499.19482	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	499.195
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
54.06874	0.9
59.01376	2.1
63.90870	0.8
65.91894	0.9
71.01380	1.6
82.95421	3.0
88.07566	0.8
96.96013	11.6
101.02444	1.4
125.02460	4.5
169.01402	1.0
208.49281	1.0
295.05167	1.1
317.35321	1.0
331.17529	1.9
333.89148	0.9
463.21753	1.9
467.93948	1.0
499.19516	100.0
500.19754	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18388	1.7
59.01376	16.5
65.13541	1.3
65.32169	1.3
66.38712	1.5
71.01375	9.8
73.02907	2.0
81.03463	2.1
82.95419	7.2
83.01387	1.6
84.95114	3.6
85.02937	3.2
89.02442	9.0
93.71548	1.3
96.95984	9.6
99.00862	3.5
101.02432	8.1
113.02480	2.2
125.02446	13.4
131.03494	1.6
149.04549	6.2
151.00365	2.5
161.02383	3.3
161.04518	2.8
191.10686	1.9
233.11780	6.2
251.12885	14.9
331.17471	3.3
337.16376	1.9
337.20282	2.6
406.70441	1.5
439.09146	3.1
455.19138	5.0
463.21793	47.1
464.22034	2.8
499.19476	100.0
500.19711	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	499.195
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01369	8.5
69.54298	5.5
69.54702	8.1
71.01373	10.9
73.02937	3.7
82.95390	11.3
85.02937	4.5
89.02460	3.4
98.22547	5.7
101.02448	10.0
101.43383	2.6
109.02961	20.0
112.61094	2.7
113.02474	6.3
118.37585	2.5
145.63075	2.8
153.01907	22.2
161.04602	4.0
162.03197	3.7
164.01138	3.1
169.01389	3.0
189.74567	2.4
190.02724	4.7
192.00626	87.2
193.01370	22.7
194.02130	4.6
207.02972	35.9
222.01627	3.3
234.01721	15.5
235.02393	2.5
249.04022	9.0
309.06131	5.0
312.04941	3.0
331.17557	3.4
463.08801	100.0
463.21786	62.2
464.09247	4.6
464.22296	3.9
499.12418	5.0
499.19559	87.8
500.20316	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	499.1951
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
50.15805	2.3
59.01378	13.2
60.27722	2.3
63.22333	2.8
63.57873	2.3
67.59373	2.3
69.35795	2.3
69.56393	10.9
70.33395	2.0
71.01378	13.8
73.02934	7.2
81.03453	2.3
82.95419	6.5
83.01382	5.1
85.02947	7.9
89.02442	3.9
96.95992	2.6
101.02444	13.0
102.57877	2.7
113.02428	6.4
125.02434	6.8
137.06071	4.5
149.04460	2.7
161.04567	7.6
176.23331	2.6
186.35573	2.8
270.32343	2.8
316.02191	7.7
331.17468	5.7
463.08731	12.5
463.21841	66.2
499.19513	100.0
500.19711	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	499.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.1
61.98817	2.2
68.99805	2.9
69.46212	7.0
69.48879	1.3
71.01337	2.1
72.99282	2.5
75.00872	25.9
77.42136	1.3
79.01861	4.0
87.00877	1.8
89.02400	3.4
93.03436	1.5
96.02145	1.9
100.52644	1.3
103.00330	3.4
105.01878	2.1
108.02124	3.6
109.83838	1.4
117.01904	2.0
120.02218	1.4
122.03674	2.1
123.00874	13.1
124.01645	12.2
125.02422	3.5
133.01387	4.9
135.02991	27.0
136.01651	2.5
137.02390	3.7
137.84683	1.4
138.03198	2.1
141.25928	1.5
144.22336	1.3
145.62215	1.6
150.03175	3.5
151.00362	26.0
152.01158	12.8
153.01944	16.4
164.01131	2.3
164.04829	1.8
165.01894	5.5
166.02661	4.0
167.03433	2.0
180.00543	2.2
192.00587	1.7
192.66974	1.5
194.02161	3.5
195.17537	2.2
203.17929	4.9
219.15572	1.6
219.17543	23.1
231.17374	2.0
233.19083	1.4
244.12668	1.3
247.16710	3.0
261.18503	2.6
263.20175	2.0
264.17178	2.5
265.17996	9.9
275.16437	3.1
277.18066	9.2
279.19550	1.9
289.18207	1.9
291.15909	11.4
291.19278	3.2
292.16492	4.2
293.17569	100.0
294.17972	3.3
295.19086	1.5
303.15924	4.7
305.17581	15.5
307.19125	13.4
317.17471	2.8
319.15314	6.9
319.18985	6.9
321.17050	57.8
322.17401	5.3
323.18484	4.3
331.15149	2.3
333.17053	21.2
333.20700	2.9
335.18582	12.7
339.18100	15.5
345.37833	1.5
349.16299	5.8
349.20193	2.2
351.17923	2.9
359.14740	2.3
359.18900	1.9
363.18057	41.0
365.19699	7.7
379.17581	52.5
380.13724	1.4
380.18405	25.7
381.19174	32.2
393.19043	2.4
397.18655	2.1
409.18243	2.0
413.22961	1.7
421.18405	3.3
423.20187	3.3
424.22134	4.4
425.23273	7.2
427.21057	2.8
439.19388	6.3
439.24698	15.2
441.22897	2.1
442.17575	1.8
442.23569	20.9
449.18091	10.5
467.19199	31.4
484.24393	2.4
499.21512	74.0
500.21799	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	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03439	0.9
59.01379	100.0
59.27064	0.5
59.29628	0.5
59.73209	0.5
61.98846	1.0
63.53162	0.6
64.10767	0.6
66.62713	0.6
69.53008	0.8
69.53345	2.3
71.01385	5.5
73.02937	4.2
83.01417	1.3
85.02970	2.8
87.00909	0.6
89.02455	1.0
90.01493	0.6
96.96027	1.1
98.21879	1.3
101.02437	4.2
111.00942	0.7
113.02444	2.9
125.02432	1.0
161.04599	0.8
235.17120	3.4
251.16647	2.1
281.01056	0.6
307.73572	0.7
316.02246	1.1
328.39386	0.7
337.23953	1.4
379.21524	0.7
395.20874	0.9
397.22452	0.9
413.22192	2.2
439.23279	1.5
455.22867	19.2
463.09183	1.7
496.42267	0.6
499.29852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01728	0.5
61.98811	0.3
69.87093	0.8
69.87447	0.6
71.01381	1.9
73.02950	1.3
75.00878	0.3
82.95421	0.9
83.01389	0.7
85.02960	1.1
89.02465	1.0
96.96030	1.1
99.00900	0.3
101.02457	1.8
113.02460	1.2
117.55101	0.3
119.03600	0.4
121.04251	0.3
126.65678	0.3
137.23062	0.4
138.81207	0.3
160.70280	0.3
161.04607	0.8
162.04453	0.3
249.06300	0.5
261.78070	0.4
337.23959	0.7
379.21420	1.0
397.22519	1.5
439.23584	1.5
499.22305	1.4
499.28833	1.6
511.53986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01724	0.4
61.98821	2.2
65.63615	0.3
69.25573	1.7
71.01370	1.8
73.02947	1.1
80.91683	0.9
82.95411	6.7
83.01384	0.5
84.63110	0.3
85.02940	0.6
89.02472	0.6
92.48370	0.3
93.03558	0.4
96.96033	0.5
98.22604	0.7
101.02444	0.8
108.02199	1.4
109.02948	3.8
111.23318	0.3
111.37363	0.3
113.02455	0.3
119.03504	0.3
123.00888	0.4
123.04530	0.4
124.01680	1.3
125.02473	2.9
126.02853	0.6
126.90427	0.5
137.02480	1.2
140.97493	0.3
142.33020	0.3
149.99625	1.2
151.00084	0.5
152.00092	0.6
153.01933	10.4
161.02367	0.5
161.04507	0.7
164.01181	0.5
168.00627	2.2
169.01224	1.2
170.01129	0.6
192.00652	10.8
193.01382	0.9
207.02957	5.6
217.15891	0.4
234.01706	0.7
249.03993	0.5
271.02625	0.5
293.14041	0.4
316.02399	0.3
337.20398	0.7
397.22479	0.6
439.23624	1.1
463.08795	6.6
463.22012	1.3
499.17227	6.4
499.24487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65005	0.4
69.25498	2.7
135.04659	0.4
137.02528	0.7
151.04170	0.5
152.99611	0.6
173.06267	0.7
175.04126	0.5
185.06235	0.5
187.04080	0.8
188.04837	0.6
191.07269	1.1
201.05550	2.5
203.03647	0.4
212.04933	0.9
213.05693	0.7
214.02885	0.5
214.06354	0.7
215.03543	2.9
215.07114	0.6
216.04222	0.5
225.05653	1.3
227.03607	0.6
228.04247	5.4
229.05026	11.1
230.05890	1.3
242.05965	0.5
243.06561	2.1
300.13773	0.6
313.14444	4.0
314.15256	1.6
328.16760	0.5
341.13855	0.6
342.18503	1.2
411.29288	0.7
425.27109	0.6
426.27725	8.0
427.28461	100.0
428.28778	4.2
444.21780	0.5
454.05530	0.4
455.27914	3.6
484.28647	0.7
499.26929	51.9
500.27310	2.0
522.05096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87743	0.9
69.88107	0.9
78.59673	0.5
80.47852	0.6
88.58077	0.5
123.04591	1.3
142.10350	0.5
144.81610	0.5
169.97830	0.5
171.04482	0.5
173.06108	0.9
175.04044	0.9
187.04016	0.7
191.07213	0.9
191.10649	0.6
191.14398	0.5
201.05598	2.9
212.04939	0.8
213.05576	1.0
214.02820	0.7
215.03506	3.0
216.04289	0.5
225.05559	0.6
227.07315	0.8
228.04256	4.0
229.05017	12.0
229.07080	0.7
230.05893	1.6
243.06725	2.0
256.52368	0.5
313.14462	3.5
314.15158	1.9
328.16846	0.6
341.13855	0.8
341.17596	1.0
342.14563	0.6
342.18292	1.7
342.38022	0.5
361.28110	0.6
411.28940	1.2
425.27097	0.9
426.27811	7.1
427.28473	100.0
428.28769	5.1
449.45462	0.5
455.27985	2.5
461.30713	0.5
473.06546	0.5
499.26974	52.7
500.27594	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	499.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88129	0.3
59.01441	0.3
63.25200	0.3
71.56422	0.3
72.59363	0.4
79.57717	0.3
79.87523	0.3
83.34565	0.3
99.04498	0.4
123.01038	0.4
137.02643	0.5
145.06786	0.4
173.06285	0.7
175.04173	0.7
185.06270	0.4
187.04128	0.7
187.07751	0.4
191.07353	1.2
191.14603	0.5
199.07948	0.5
201.05542	2.9
202.06468	0.4
203.03607	0.4
212.04880	0.4
213.05762	1.1
214.02815	0.8
214.06490	0.6
215.03555	2.7
215.07332	1.0
225.05745	1.4
226.06639	0.3
227.07416	0.5
228.04279	4.2
229.05035	12.2
230.03940	0.4
230.05719	1.6
235.13632	0.5
242.05992	0.7
243.06747	1.9
247.76552	0.3
249.15195	0.4
257.08386	0.5
299.13004	0.3
300.13837	0.4
313.14481	3.2
314.15060	2.2
328.16721	0.9
341.13940	0.6
341.17615	0.5
342.14551	0.5
342.18045	1.9
411.29111	1.1
425.26941	1.0
426.27692	7.5
426.33240	0.6
427.28448	100.0
428.28790	3.8
455.27841	3.3
484.28375	0.6
499.26877	54.3
500.27243	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	499.2699
Annotation	Kadcoccilactone E
Peak:m/z	Relative Intensity
63.30318	0.4
69.54697	0.4
69.69376	1.1
70.04962	0.4
78.01105	2.5
78.91879	0.6
78.99314	0.4
96.02155	1.0
108.79533	0.4
111.00866	0.6
112.56168	0.5
122.03703	0.5
123.00849	1.5
124.01701	2.4
138.03116	0.5
151.14909	0.5
152.01193	2.5
160.05310	0.6
162.03137	0.5
162.83890	0.7
166.02681	0.6
166.13438	0.5
167.14410	0.6
173.06129	0.9
187.03908	1.2
187.07674	0.9
190.02777	0.7
191.14406	13.4
199.07611	1.3
201.05511	1.2
202.06316	0.7
203.03514	0.5
207.13762	1.4
209.15393	0.9
213.09166	0.5
215.03510	3.9
215.06903	0.7
225.05458	1.2
229.04921	0.5
231.13777	1.0
235.13348	4.6
237.14941	27.8
247.13356	0.7
249.15086	2.1
257.11813	0.6
259.13324	0.9
263.12848	6.2
263.15799	0.8
263.16519	0.7
265.14429	49.1
266.14740	1.4
275.12741	1.0
284.17661	0.7
286.19104	0.4
287.12665	0.5
314.15097	1.4
314.18631	0.5
328.16754	7.8
329.17343	0.9
371.29666	3.2
372.15616	0.9
383.29556	5.2
399.29016	3.1
400.15140	1.0
409.27219	1.0
411.28635	0.6
412.25797	0.4
415.28366	0.5
427.23065	0.9
427.28424	13.2
428.28149	0.5
443.27927	6.9
444.28387	0.6
455.27606	1.6
471.27362	1.8
499.26779	100.0
500.27097	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	499.27
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80967	1.0
78.01095	7.2
95.01347	1.6
96.02152	2.5
110.00040	1.7
123.00870	4.8
124.01678	7.1
129.25278	0.9
137.02370	1.0
138.58185	1.2
138.85173	0.9
151.14827	1.1
152.01135	5.9
163.11203	1.2
167.14314	2.0
173.06049	2.3
175.03932	1.4
176.30479	0.9
185.84113	0.9
187.03896	3.3
190.02620	1.2
191.03459	1.2
191.14410	33.5
199.07518	3.3
201.05537	1.7
202.06258	1.5
203.03413	1.6
207.13809	2.8
212.04712	1.2
213.05571	1.5
214.05998	1.1
215.01814	0.9
215.03448	8.7
215.06770	1.1
225.05597	2.7
229.04962	1.9
231.13805	2.0
235.13417	6.8
237.11104	2.1
237.14935	59.8
238.15154	1.9
243.13562	1.1
247.13293	1.2
249.14957	1.6
259.13196	1.9
261.14810	1.3
263.12839	12.3
265.14426	74.0
266.14651	2.8
271.16721	1.2
273.14792	1.0
275.12747	1.8
286.15405	1.6
314.14984	3.8
314.18503	1.7
325.17990	1.2
328.13049	1.1
328.16763	16.0
329.17416	1.1
371.29568	6.6
372.15521	1.7
383.29413	7.5
399.28854	5.6
400.02722	0.9
400.14688	1.9
401.34317	0.9
409.27478	1.3
412.25781	1.7
427.28412	13.8
443.28094	6.6
455.27490	1.5
471.27225	1.8
499.26654	100.0
500.27197	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	499.2906
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01882	1.3
59.01379	76.6
61.98846	0.8
64.93893	0.9
69.19906	4.2
69.88081	0.7
71.01382	12.3
72.99300	0.9
73.02928	4.0
83.01385	2.2
85.02951	5.6
85.06592	2.0
85.83746	0.7
87.00867	1.8
89.02452	4.6
95.01395	1.4
98.22620	1.4
99.00906	1.0
101.02433	7.7
113.02457	4.6
115.07600	1.9
119.03469	1.7
150.65843	0.9
161.04578	1.1
171.61450	0.8
221.15346	1.0
249.14891	6.5
277.18054	0.9
319.22775	3.8
335.22308	5.6
337.23819	50.8
338.24048	1.7
381.71338	0.8
394.89398	0.8
397.21912	1.6
439.23499	2.6
499.29117	100.0
500.29669	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	499.3062
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
51.33653	0.4
59.01361	0.6
59.49631	0.4
78.95902	1.5
81.03454	10.1
91.62480	0.5
96.90890	0.5
108.02172	0.6
109.02944	0.9
110.03706	0.4
110.48528	0.4
112.51337	0.5
112.59680	0.6
122.03765	2.7
123.00911	0.6
123.04522	48.2
124.01688	0.8
135.04523	2.1
137.02461	3.2
137.06088	2.0
138.03224	2.0
139.03973	0.9
139.80682	0.6
147.04572	0.7
150.03230	0.7
151.03996	19.0
152.04756	2.0
152.99593	1.9
163.03935	0.6
165.05550	13.9
166.02713	0.7
175.07576	0.8
177.05479	0.6
179.07149	0.6
182.97655	0.5
207.10269	1.0
265.17996	0.5
277.18271	0.5
293.17599	2.4
319.22690	1.0
319.49954	0.5
321.17050	1.3
331.22906	0.6
333.24341	1.3
343.22717	2.1
360.22977	5.5
375.25238	0.6
409.18637	0.8
442.26923	0.5
467.28128	2.1
469.25919	0.6
484.28262	47.2
485.28690	2.7
499.30652	100.0
500.30966	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.4
57.03445	12.3
61.98801	0.8
65.00304	0.9
69.82951	1.3
69.83278	1.5
81.03454	9.8
83.01369	2.3
91.87202	0.8
98.22523	1.5
108.02157	0.8
118.36597	0.8
122.03738	2.4
123.00881	2.3
123.04521	1.2
125.02443	100.0
126.02791	1.0
135.04546	1.2
136.05322	1.4
137.02446	3.2
137.06097	1.1
138.03255	2.5
151.00372	1.2
165.01917	1.8
208.06102	0.9
220.90092	0.8
229.05054	1.4
265.14551	1.0
329.28433	4.9
355.26889	1.4
357.28293	1.3
369.31711	1.9
371.29916	1.3
373.27448	7.5
385.31180	1.2
389.30829	2.6
395.29971	1.1
411.32672	1.7
413.30621	8.8
413.35345	0.8
423.26016	1.3
427.28595	8.7
435.25461	2.8
437.30774	0.9
441.26807	2.4
455.31763	8.7
463.24606	23.3
481.22449	1.1
499.31061	72.2
500.31357	4.8
517.96411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3061
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
54.52193	0.9
69.25447	6.0
70.90450	0.9
78.95896	2.8
81.03493	1.1
98.22612	2.5
108.02150	2.0
109.02954	16.4
123.00860	1.6
123.04479	1.1
124.01630	4.9
125.02393	1.9
137.02437	20.7
137.06044	1.5
138.03250	5.9
150.03325	1.2
151.03984	20.8
152.01202	1.3
152.99579	2.9
159.41977	1.1
164.83582	3.1
165.05647	1.4
193.08614	1.3
204.14406	1.1
207.10236	3.9
235.13591	1.3
261.14899	1.2
275.16531	1.9
327.85187	1.1
332.23511	1.2
435.25336	1.3
467.27878	3.6
469.25754	3.0
484.28256	51.3
485.28662	2.7
499.30649	100.0
500.30948	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3063
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
51.15113	1.7
59.01371	2.2
69.41392	4.2
69.41780	4.9
78.95893	5.8
88.98800	1.9
97.83685	1.7
108.02199	1.8
109.02940	2.2
122.03712	5.3
123.00869	1.8
123.04507	12.4
136.05322	2.0
137.02452	5.8
138.03238	13.8
151.03995	16.5
152.04828	4.0
152.99561	7.8
164.01035	1.7
164.04723	3.2
165.05554	15.9
193.08583	1.7
195.24055	1.6
202.92686	1.7
229.04930	2.2
241.50003	1.7
345.23651	2.1
399.25397	1.9
427.28549	19.1
451.24753	2.8
455.28281	4.4
469.25974	14.2
484.28220	36.4
485.28873	2.8
499.31128	100.0
500.30817	6.8
529.40948	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	499.3064
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
55.01875	1.9
59.01395	0.3
70.94810	0.3
71.05000	0.4
78.95920	0.5
95.01398	1.0
95.04994	0.4
96.02155	1.2
101.39046	0.3
109.02956	2.6
110.03730	3.1
111.00857	0.4
122.03715	0.8
123.00885	7.6
123.04505	0.7
124.01666	2.9
125.02412	1.1
136.05289	0.8
137.02437	2.7
138.03226	7.0
142.02705	0.6
148.05272	0.3
149.06056	0.8
150.03235	0.4
151.00389	0.4
151.04019	1.7
152.99550	1.0
160.05235	0.4
165.01942	0.4
165.05617	0.6
166.02698	1.7
176.04799	0.3
179.03488	1.2
180.04303	0.4
198.01756	0.5
223.44093	0.3
238.66893	0.3
263.13281	0.3
263.16461	0.5
276.08560	0.3
278.64832	0.3
305.17883	0.3
319.18851	0.3
343.26337	0.4
343.30057	0.9
380.22574	0.3
387.28983	0.8
399.32816	0.4
427.27789	0.6
427.32657	0.6
453.30011	1.2
455.27951	0.4
455.37762	0.6
463.28558	0.7
471.31149	11.4
472.31561	0.8
481.29565	3.0
484.31876	0.9
498.36581	0.6
499.30627	100.0
499.36353	5.3
500.30981	4.8
529.21735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48748	0.3
68.49792	0.3
68.99836	0.3
69.31110	1.2
81.03446	3.2
95.01389	1.4
95.05058	0.5
97.02946	0.3
98.21863	0.6
108.02155	1.3
109.02952	14.7
110.03794	0.7
111.00893	0.5
121.02930	0.6
122.03724	2.2
123.00887	6.1
123.04528	13.2
124.01650	4.0
125.02404	0.8
135.04514	0.5
137.02448	18.4
137.06090	1.5
138.03239	4.5
142.02704	0.6
147.04427	0.4
149.02432	0.4
150.03246	0.8
151.04005	20.6
152.01144	0.7
152.04742	0.6
161.06013	0.4
163.03880	0.4
165.01901	1.2
165.05524	1.0
175.04012	0.6
177.05594	0.4
179.07175	0.5
193.08667	1.4
207.10245	1.0
221.11845	0.7
235.13354	0.5
242.16284	0.3
249.14938	0.8
263.16641	0.5
276.17401	0.4
277.17987	0.5
291.19724	0.7
301.21613	0.4
305.21246	1.1
317.21384	0.5
319.22751	1.8
451.24884	0.9
467.28940	2.1
469.26443	4.3
483.27472	0.5
484.28305	52.7
485.28598	3.8
499.30844	100.0
500.31256	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	499.3064
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
50.15604	0.2
52.01270	0.3
70.72560	0.4
78.01067	0.5
82.00563	0.7
84.44739	0.3
93.99730	0.2
95.01341	0.6
96.02161	1.8
109.02875	0.6
110.00081	3.4
110.03703	0.3
111.00892	1.3
122.03680	0.6
123.00896	5.4
123.04546	1.6
124.01652	5.6
137.02444	7.2
138.03185	0.5
139.00354	0.3
139.78029	0.3
149.02477	0.4
150.03188	0.5
151.04008	2.0
152.01186	0.3
160.05350	0.4
161.05971	0.3
162.03162	0.4
162.06818	0.3
163.03954	0.5
164.04829	0.4
165.01865	0.3
165.05444	0.3
167.13170	0.3
167.14392	1.9
173.06105	0.7
175.04065	0.6
176.04668	0.5
178.02695	0.3
179.03525	2.0
187.03934	0.6
187.07697	0.4
188.04756	0.7
189.05586	0.5
190.02673	1.2
190.06281	0.3
191.03394	0.4
191.14413	1.0
193.08626	0.3
193.15973	0.6
195.13887	0.4
201.05519	0.9
202.06296	0.8
203.03494	0.6
204.04265	0.5
209.15390	0.5
215.03479	0.7
215.07132	0.4
227.03026	0.3
229.08755	0.5
233.15465	1.0
235.13536	0.4
237.14944	100.0
238.15311	2.3
238.38712	0.3
259.17130	0.4
261.14999	1.8
263.12851	0.4
265.14636	2.0
265.17984	2.1
277.18118	0.6
287.16568	0.8
293.17511	0.7
303.16046	0.5
328.16815	0.6
351.97195	0.3
372.15536	0.3
427.32190	1.0
455.31931	0.8
467.28552	0.6
469.26114	0.4
471.31168	1.3
499.30859	34.9
500.31143	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12405	0.9
78.01104	1.1
78.91880	2.2
85.00423	5.7
108.02188	1.6
110.00081	2.6
123.00880	4.9
123.04544	2.8
124.01649	5.9
128.55119	1.1
137.02478	1.5
138.03204	1.3
151.04045	1.9
152.01126	1.9
167.14388	1.9
172.32690	1.0
180.01399	1.1
187.04102	0.9
191.14449	6.6
201.05550	1.0
202.06343	1.0
203.03624	0.9
207.13939	1.7
215.03522	2.7
221.15465	3.3
235.13278	1.2
237.14944	100.0
238.15277	2.1
247.13367	1.4
249.14932	10.4
251.82401	0.9
259.02328	0.9
261.14902	1.5
263.12836	3.5
265.14401	18.9
265.17950	3.1
287.16568	2.0
328.16739	3.6
361.27432	1.6
371.29370	1.8
383.29459	1.6
391.28583	5.8
399.28754	1.5
427.28409	4.0
443.27899	2.4
455.31360	1.0
471.31323	1.6
481.30307	1.1
499.26944	25.3
499.30704	25.7
500.31049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3422
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
50.84341	0.4
61.61898	0.4
62.40112	0.3
76.69453	0.4
83.18383	0.4
89.02522	0.4
107.69384	0.4
108.02162	1.5
109.02930	0.9
110.03713	1.0
122.03732	2.4
123.04523	30.5
124.01631	1.6
124.05327	0.8
125.02433	0.6
135.04489	0.7
136.01692	0.5
136.05292	1.9
137.02425	5.9
137.06087	3.0
138.03232	4.2
139.04053	0.6
147.04503	1.4
148.05338	0.6
149.06065	1.6
150.03212	1.2
151.03999	30.7
152.04813	4.3
164.04805	0.7
165.05559	25.6
165.09192	0.8
166.02690	0.9
166.06187	0.5
179.03532	0.6
179.07048	1.0
179.10774	0.5
193.08658	0.8
207.10233	1.5
221.11870	0.8
263.16608	0.5
277.18109	0.4
291.19592	0.9
319.22861	0.6
334.25064	0.8
347.25876	0.7
399.29163	0.5
451.28662	0.5
455.31232	0.9
467.31488	6.0
468.31830	0.5
469.23010	0.5
469.29593	1.5
484.31912	96.2
485.32294	4.9
499.34283	100.0
500.34695	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	500.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66464	0.6
59.01376	2.6
61.98829	100.0
62.47940	0.7
69.14719	1.3
69.15115	3.6
71.01385	2.2
73.02951	1.9
78.94530	0.7
82.95460	0.6
84.66190	0.8
85.02940	1.2
95.01432	0.7
96.95990	0.9
101.02461	0.9
101.25878	0.7
107.01408	0.8
108.02202	2.7
109.02955	16.3
111.00919	0.7
113.02470	1.7
116.92940	1.1
117.92926	1.1
121.03014	0.7
123.00879	5.0
124.01659	12.4
125.02453	6.9
134.03798	0.7
135.00906	0.8
137.02469	1.1
138.03271	0.9
139.04016	5.0
149.02377	0.8
152.01129	1.8
153.00685	1.6
153.01939	31.6
161.02460	1.1
167.03569	2.1
195.03032	1.4
220.26395	0.8
237.04161	0.8
297.06198	11.3
303.83618	0.8
311.07840	1.4
372.50568	0.7
437.10870	86.1
438.11102	4.4
486.86176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	57.0
60.01715	3.6
61.73160	0.4
61.98830	100.0
71.01394	2.0
73.02943	1.4
83.01368	0.5
84.04255	0.4
85.02953	1.2
85.14946	0.4
89.02438	0.6
101.02421	1.4
111.00863	0.5
113.02426	0.8
115.31023	0.5
125.02406	1.8
126.02723	0.4
161.02396	0.6
161.04488	0.6
188.80528	0.4
201.21556	0.4
258.66364	0.4
380.21121	1.2
397.21841	0.5
398.22223	1.2
426.35333	0.5
440.23282	1.7
457.23926	0.5
464.08688	1.0
485.20041	0.7
500.21881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56428	0.6
61.98828	100.0
69.81692	1.2
69.82047	1.4
69.96168	0.6
74.88256	0.7
78.95898	1.0
98.22555	1.3
105.55614	0.7
136.91165	0.6
137.02409	0.8
138.03258	1.4
151.04008	1.3
222.43726	0.6
273.76950	0.6
283.02264	0.7
443.27444	1.4
458.29544	1.6
471.27728	1.9
485.28729	0.7
486.29919	2.2
500.31732	1.7
501.32416	4.1
502.76779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51169	0.3
61.62757	0.3
61.98827	100.0
62.17511	0.3
69.84628	1.0
84.19994	0.3
84.48692	0.3
98.07204	0.3
158.45824	0.3
164.83635	0.4
167.14308	0.4
184.98169	0.3
192.80577	0.3
213.47086	0.4
245.48216	0.4
293.17569	0.4
294.18130	0.7
437.27182	0.6
452.76657	0.4
500.22562	0.7
500.30911	0.6
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	85.5
69.37562	2.7
72.99311	0.6
73.02948	0.9
98.21886	1.3
101.92010	0.5
132.98260	0.8
134.96999	1.2
157.03543	3.3
159.01501	1.5
174.99239	23.4
184.00993	1.8
185.01111	1.1
192.96149	1.7
201.02545	35.8
202.02763	1.3
215.04079	1.6
217.00287	100.0
218.00632	1.0
234.97040	0.6
250.95107	1.1
276.98199	2.6
291.86517	0.7
292.96191	2.6
326.84872	0.6
327.02142	1.4
334.97208	1.6
343.03482	4.0
359.01450	74.8
360.01730	2.9
500.99136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	13.5
64.81207	1.2
67.17931	1.3
71.01363	4.6
89.02446	1.5
101.02430	1.5
109.02953	1.7
111.00871	1.8
113.02423	2.6
115.03986	1.7
119.01354	1.8
121.03006	2.3
123.00874	4.7
123.04561	1.6
124.01659	13.5
125.02452	21.4
127.00356	2.1
137.02400	3.7
139.00375	2.1
140.01126	2.2
145.02989	1.7
149.02446	4.5
151.04033	2.5
152.01189	3.0
153.01889	2.1
161.02470	3.0
162.03148	1.8
163.00327	7.6
164.01128	4.0
165.01945	6.6
166.02658	2.4
167.03433	3.5
168.00655	15.0
168.99947	1.9
169.01428	31.3
177.01926	4.7
178.99855	3.0
179.03520	4.7
181.01407	1.5
190.99890	8.1
192.00659	44.3
193.01416	60.0
194.02174	1.8
195.02933	2.1
205.01453	4.9
206.02199	2.7
207.02962	14.3
211.02464	71.4
212.02800	1.7
217.98370	1.7
219.10390	2.1
221.00893	9.8
222.01605	1.8
223.02437	2.6
229.98326	2.1
233.00679	7.5
234.01704	7.1
235.02519	2.7
237.04051	1.9
241.03633	2.6
245.97800	4.5
249.04034	1.7
264.99484	2.3
270.03992	1.8
271.04562	24.4
312.04883	5.3
321.13428	3.7
330.54449	1.4
343.60428	1.6
349.05594	2.7
350.39807	1.7
441.04404	12.5
486.04138	70.9
487.04642	2.3
501.06516	100.0
501.19684	9.8
502.06415	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	501.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03198	0.2
57.03444	1.5
59.01361	0.3
64.34680	0.3
67.01884	4.6
68.99550	0.3
70.39797	0.3
70.40130	0.4
85.02935	0.4
87.00874	3.8
96.95985	0.2
111.00875	100.0
112.01222	1.4
112.98560	0.3
125.02444	0.6
141.86465	0.3
168.67255	0.3
173.00891	9.6
179.03702	0.2
192.00633	0.9
194.02197	0.4
304.29333	0.2
327.07269	0.4
441.04462	0.3
461.41687	0.2
501.07953	1.1
516.30444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55131	0.4
55.01878	0.5
57.03448	0.6
59.01377	10.0
60.01666	0.4
60.71140	0.4
61.98841	0.5
63.09325	0.5
65.28278	0.4
71.01375	2.1
71.35188	0.4
71.96779	0.4
72.99303	1.2
73.02943	1.6
82.95415	1.4
85.02943	1.3
89.02473	0.8
95.01364	0.6
96.95963	0.5
98.22611	1.0
99.00877	0.8
101.02444	1.7
101.06078	21.4
108.02171	51.4
109.02968	9.5
113.02419	1.1
121.02940	0.7
123.04565	0.7
125.02477	2.2
125.09710	0.8
135.04485	0.5
137.02435	1.4
147.04495	0.6
148.54872	0.5
149.02464	0.5
151.03998	0.9
152.01149	100.0
153.01938	4.0
163.03999	1.9
169.01402	1.1
172.57622	0.4
176.07423	0.4
179.03490	0.9
187.09810	0.7
229.20009	0.5
267.05057	0.7
285.06473	0.5
322.79688	0.5
384.18671	0.4
399.09296	12.8
463.08795	1.6
501.16104	85.7
502.16479	3.6
521.25739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.4
60.67738	0.7
65.66151	0.7
69.23737	4.3
71.01383	3.5
72.99294	1.5
73.02935	3.6
73.32584	0.6
79.57239	0.7
82.95406	3.8
83.01353	0.9
85.02951	1.5
89.02444	1.8
96.96001	1.4
101.02467	2.0
101.06074	18.1
103.04003	1.0
108.02169	47.5
109.02971	11.8
113.02417	1.8
125.02441	2.5
149.06003	0.7
152.01146	100.0
153.01935	3.7
161.02370	0.9
163.04033	1.7
163.06073	1.0
172.39088	0.7
179.03490	1.0
193.01343	1.0
238.57620	0.7
241.07158	0.8
254.00928	0.7
267.05103	1.1
316.02283	1.5
399.09302	14.5
400.09842	1.1
417.10474	2.4
463.08783	1.2
501.16092	94.5
501.22629	4.7
502.16507	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	501.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96449	0.5
55.57023	0.5
59.01377	17.5
61.98815	2.3
71.01380	4.4
71.44188	0.5
72.99338	0.5
78.91879	0.6
80.91710	0.6
82.95431	0.8
85.02968	0.6
87.00869	0.6
89.02442	2.1
93.31933	0.5
96.96025	2.5
101.02427	1.9
103.31812	0.5
109.02917	0.7
111.00874	8.4
123.04588	0.7
125.02452	3.2
137.02434	0.7
151.00377	0.5
153.02008	0.6
163.08809	0.9
169.01439	1.2
173.00841	1.3
176.05893	7.1
177.06683	13.1
178.07144	0.7
186.07906	0.8
191.08249	22.1
192.00534	0.7
193.01407	4.5
193.05025	0.6
201.10355	0.9
203.08257	2.7
205.06169	35.4
211.02481	0.7
219.07726	38.3
220.08034	0.9
245.09276	1.8
279.01859	0.6
285.03882	0.8
285.12445	2.6
303.05106	1.6
313.05493	1.0
321.10938	2.3
339.11932	100.0
340.12259	3.0
420.14716	0.9
465.06323	4.4
494.80405	0.5
501.10513	0.8
501.17352	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	501.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03424	1.8
58.00574	1.0
59.01379	79.2
60.01715	1.3
61.98828	9.4
69.20155	5.0
71.01377	31.0
73.02937	9.4
75.00814	1.1
82.95418	11.3
83.01385	6.6
84.95099	3.1
85.00458	1.1
85.02946	13.7
87.00851	3.7
89.01931	1.1
89.02444	15.1
95.01376	2.4
97.02973	1.3
99.00882	3.5
101.02437	23.3
111.00866	1.8
112.01647	1.8
113.02451	14.1
119.03460	3.0
121.02928	4.0
122.03712	2.4
125.02453	2.9
129.01886	1.0
131.03456	3.6
135.08090	1.1
137.02382	1.1
145.02478	0.8
147.08142	9.7
149.04546	1.3
149.09709	13.3
161.04510	1.0
161.09662	3.4
163.07678	2.3
164.08353	1.3
165.09201	100.0
169.00911	0.9
173.09749	1.5
176.08331	1.1
177.09315	1.2
179.10591	1.0
189.09206	8.7
191.05699	2.2
191.10811	5.2
201.09250	1.3
201.39691	0.9
203.10715	1.7
207.10248	10.3
215.10696	3.1
219.10208	3.5
221.11726	1.1
242.59747	1.1
243.10271	1.7
253.17818	1.1
264.13449	1.9
279.16086	1.9
291.12149	2.4
309.13422	67.2
310.13611	1.3
327.14453	93.1
328.14706	2.3
338.20547	1.2
339.17767	2.0
339.21439	2.4
350.46317	1.1
369.15509	80.8
370.15643	1.5
397.21854	2.0
441.17575	20.5
442.17856	1.1
459.12549	1.4
459.18668	21.4
460.18936	1.3
501.19608	71.2
502.20126	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	501.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10427	1.1
53.78342	1.2
54.16208	1.2
55.01868	3.3
57.03447	1.3
59.01378	100.0
71.01372	11.2
73.02934	4.3
80.74310	1.2
82.83001	1.2
82.95463	1.4
83.01392	1.3
85.02937	6.2
87.00868	2.4
89.02441	6.9
96.95998	5.5
99.00864	1.4
101.02438	10.1
105.83128	1.3
108.02189	1.8
108.41782	1.1
109.02949	23.0
113.02459	4.3
123.04522	2.7
124.01612	2.5
125.02447	7.0
131.03493	3.8
137.02440	1.3
149.04527	2.3
151.00404	1.4
151.03989	3.4
153.01941	29.7
161.02477	1.5
161.04532	2.6
165.01903	1.2
177.01949	2.5
189.01907	1.2
190.02747	8.4
192.00638	17.8
193.01389	8.5
194.09100	1.2
205.01328	2.4
206.02174	2.8
207.02968	7.8
223.98694	1.3
234.01678	16.5
246.01570	2.4
249.04012	11.0
251.04482	1.5
253.18016	3.8
271.02463	8.1
287.01981	3.8
294.03690	2.6
301.27066	1.2
301.58395	1.3
301.61966	1.3
309.06082	4.6
312.04785	1.9
316.02197	16.4
317.02869	5.0
317.06598	3.5
318.02740	2.2
355.09796	1.4
397.15079	7.4
397.22290	2.0
415.15918	2.3
415.23584	1.5
457.17706	1.1
457.24347	5.0
463.08810	77.5
463.21967	2.6
464.09033	3.7
465.09378	12.1
473.18655	1.3
487.02560	1.2
501.19089	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	501.2341
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
56.83675	0.5
57.03446	0.9
59.01377	100.0
60.24403	0.5
61.98826	1.8
63.58251	0.4
64.53946	0.6
66.23280	0.4
67.19863	0.5
69.40629	1.1
69.41042	1.7
71.01374	4.8
73.02935	2.8
82.95413	1.0
83.01419	1.3
84.95135	0.5
85.02945	2.5
89.02447	1.6
95.01417	0.7
99.00932	1.0
101.02433	5.3
101.06075	1.0
113.02417	2.7
121.02994	1.9
123.04547	0.9
125.02460	2.1
129.71793	0.5
161.04590	1.3
167.03514	0.7
192.00792	0.6
306.07581	1.0
316.02173	0.8
339.14273	0.7
373.81628	0.5
397.22220	3.3
415.23416	6.6
457.25259	2.8
463.08926	0.9
501.15652	0.8
501.23862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01378	100.0
61.98836	1.7
69.03438	1.1
71.01376	13.0
73.02951	8.6
80.74956	1.1
83.01380	4.5
85.02950	8.0
87.00834	2.1
89.02475	2.9
95.01441	1.5
99.00840	1.4
101.02451	14.9
113.02437	5.1
125.02412	1.0
125.11975	1.1
126.34240	1.1
136.46234	1.0
143.03528	1.3
189.38237	1.3
253.18123	12.9
256.51202	1.1
267.19763	1.2
296.11346	1.4
340.89093	1.1
397.22318	3.9
415.23358	13.1
425.64420	1.3
441.24588	1.7
457.24405	68.1
458.24594	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	501.2492
Annotation	Tiegusanin A
Peak:m/z	Relative Intensity
71.12930	0.6
82.53497	0.6
89.02420	0.9
95.01395	3.6
96.02148	1.5
98.21941	0.7
101.40504	0.7
108.02149	0.7
109.02962	1.6
110.00122	1.1
111.00896	3.5
122.03723	0.8
122.99992	0.8
123.00882	15.5
124.01664	5.7
125.02419	2.8
137.02446	10.8
138.03201	1.9
139.00374	17.3
139.04019	1.1
150.03265	0.8
151.00381	3.1
151.03996	2.7
152.01173	4.7
153.01910	2.8
163.04002	1.1
165.01884	5.9
166.02760	1.2
166.99867	0.9
171.81554	0.6
172.05197	0.7
174.03239	0.7
179.03458	2.4
179.07132	1.1
189.01950	0.7
193.08702	1.2
207.06410	1.2
221.08217	1.5
235.09793	1.0
249.11467	0.7
263.12698	1.4
263.16473	1.0
277.14352	1.9
277.17847	1.0
291.15997	1.6
291.19635	0.8
303.19510	0.8
305.17535	1.1
319.19119	1.4
329.17465	1.0
331.19159	4.1
331.22522	1.0
333.20682	1.1
343.22675	1.0
345.20605	0.8
345.72568	0.9
353.21255	0.7
355.22647	1.9
359.22220	1.0
371.22217	2.2
373.27451	1.7
381.20444	0.7
383.21756	0.7
385.23886	1.2
389.26901	0.7
401.26892	1.7
413.23364	1.6
417.26221	0.9
423.22198	0.8
425.19571	0.8
427.20734	1.0
437.19458	1.3
441.22946	2.4
443.20627	0.8
445.25943	2.0
451.21344	1.2
453.19086	1.1
455.24365	1.7
457.22974	0.7
459.97162	0.7
469.22324	12.3
473.25198	1.8
483.23956	1.6
486.22699	1.3
486.29959	2.5
501.24908	100.0
501.31775	7.0
502.25195	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	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70096	0.4
54.14789	0.4
59.01378	100.0
61.98820	0.6
62.49372	0.4
69.20737	2.4
71.01375	4.2
73.02953	1.7
76.25331	0.4
82.95434	0.5
83.01355	0.5
84.95136	1.7
85.02966	1.3
87.00866	0.4
89.02435	4.8
93.03469	0.5
97.02946	0.5
99.00913	1.4
101.02460	1.8
103.47660	0.5
108.02187	1.3
113.02467	1.9
125.02448	2.3
137.02477	0.9
143.03497	0.8
149.04570	0.9
152.01167	0.7
153.01949	0.5
164.08463	0.8
191.75471	0.4
192.07921	0.9
194.13280	0.4
207.10233	5.9
233.06784	1.7
281.13995	0.9
282.14865	1.4
293.08878	1.9
307.43253	0.6
315.75122	0.5
339.21921	0.5
397.22391	0.8
501.16385	1.0
501.26324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04786	0.4
56.96639	0.3
59.01376	100.0
61.98826	0.7
67.19161	0.3
69.10258	1.8
69.10657	0.7
70.60413	0.4
71.01373	1.7
72.59994	0.3
73.02967	0.9
73.80799	0.3
74.53382	0.3
78.67929	0.3
80.03562	0.3
80.64521	0.3
82.95432	0.5
85.02972	0.6
87.00916	0.4
89.02473	0.7
98.22614	0.7
99.92586	0.4
100.93404	0.6
101.02455	0.7
111.00874	0.6
115.92112	0.5
116.92870	2.8
127.14778	0.3
137.42966	0.4
139.65227	0.3
161.04610	0.5
225.24634	0.4
399.24060	0.8
441.24857	1.7
457.24637	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.2
59.01377	100.0
60.01725	0.4
71.01381	1.0
73.02963	0.3
75.00859	0.3
80.07706	0.2
85.02956	0.6
88.37992	0.2
89.02452	0.3
96.15428	0.2
99.00908	0.2
100.83882	0.2
101.02460	0.5
108.87336	0.2
113.02479	0.8
116.92882	0.6
119.45213	0.2
124.01688	0.7
137.03647	0.2
162.85089	0.2
164.01807	0.2
189.77260	0.2
189.82042	0.2
249.06264	0.5
251.16588	0.8
339.21677	2.8
399.23880	0.8
441.24893	1.3
501.22556	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.83234	0.2
60.01708	0.5
71.01388	0.4
71.14027	0.3
73.02956	0.3
85.02982	0.3
91.85768	0.2
100.85503	0.2
101.02448	0.3
107.41036	0.2
112.31506	0.2
113.02464	0.2
118.96967	0.3
125.63497	0.2
139.79416	0.2
157.78513	0.2
161.04568	0.4
239.75883	0.2
399.24094	0.4
400.02792	0.2
415.23206	0.3
427.15567	0.2
434.57657	0.2
441.25375	0.8
458.24551	0.2
501.27371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01378	100.0
60.01712	0.7
61.01810	0.2
61.98815	0.5
69.11695	1.7
71.01382	1.7
73.02956	1.0
74.56614	0.2
75.00857	0.4
81.03455	0.2
83.01394	0.2
85.02972	0.9
87.00879	0.3
89.02471	0.8
95.01414	0.3
96.96022	0.5
99.00896	0.4
99.92562	0.5
101.02462	1.0
111.00901	1.4
111.08125	0.3
113.02459	1.1
115.92138	0.4
116.92852	4.9
125.02406	0.3
143.03366	0.2
158.16203	0.2
161.04593	0.5
163.03871	0.2
249.06174	0.8
251.16508	0.3
251.71425	0.2
267.06973	0.3
381.22897	0.4
399.23950	0.8
415.23691	0.4
441.24982	1.3
457.24161	0.5
501.10867	0.8
501.23639	3.6
501.31104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60130	0.3
50.63651	0.3
54.38407	0.3
57.38185	0.2
59.01379	100.0
60.01727	0.6
69.24957	1.7
71.01383	1.4
73.02942	0.7
82.95425	0.7
83.01381	0.6
84.95148	0.4
85.02988	0.4
89.02456	1.1
101.02454	1.5
113.02485	1.0
123.91409	0.3
159.03111	0.3
161.02382	0.3
177.01993	1.1
193.06560	2.7
202.95885	0.3
283.56570	0.3
381.22815	0.4
399.23996	1.3
441.24847	2.1
496.66309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69509	0.4
57.03449	0.7
59.01378	100.0
60.01698	0.6
61.98826	0.8
70.57857	0.5
71.01385	2.6
71.58143	0.4
73.02964	1.5
82.95419	0.9
83.01411	0.9
84.95137	0.5
85.02958	1.5
89.02459	1.3
101.02455	1.7
113.02473	1.8
121.03009	1.0
124.01733	0.5
125.02432	2.8
161.02464	1.2
161.04623	0.8
169.01343	0.5
397.22400	2.3
415.23737	1.3
463.08856	0.9
501.23889	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	501.2849
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
65.19940	0.7
66.47663	0.6
71.98879	0.6
72.63315	0.6
75.64924	0.6
109.02952	1.2
110.03738	1.4
113.02564	0.6
123.00864	3.5
123.04491	2.0
124.01655	1.7
125.02446	1.8
137.02446	15.4
138.03203	4.7
139.04034	1.1
150.03169	1.0
151.04002	9.7
153.01854	2.9
160.84195	4.1
161.02425	0.8
165.01932	1.1
165.05548	2.2
166.02678	2.6
167.14294	0.8
179.03496	7.4
189.05544	1.0
190.02708	0.9
191.07112	0.6
193.04993	1.0
193.08667	1.7
198.01645	1.1
221.08292	0.7
221.11781	1.1
249.11255	1.2
249.14873	1.2
253.14369	1.2
263.12720	0.9
263.16586	0.8
277.14432	1.6
277.18005	1.3
289.14447	2.0
291.15967	1.5
305.21124	4.9
319.19379	1.1
331.46133	0.8
333.20737	6.0
334.21014	1.0
413.30536	1.1
429.29904	2.4
450.24222	0.8
457.29556	4.8
458.26617	3.4
468.25308	3.3
469.26117	0.8
471.27451	1.0
473.28882	2.3
483.27325	2.7
486.26007	3.8
501.28528	100.0
502.28772	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	501.2854
Annotation	3alpha,20-Diacetoxy-2alpha-angeloyloxy-9alpha,13R-epoxy-7,14-labdadiene
Peak:m/z	Relative Intensity
57.03422	1.1
69.20210	4.5
77.54133	0.7
83.19864	0.7
95.01402	0.9
98.22654	1.7
100.87724	0.6
107.45721	0.8
108.02193	2.3
109.02947	15.0
123.00889	1.5
123.04478	0.8
123.91299	0.7
124.01697	1.1
125.02416	1.6
137.02449	12.5
138.03195	3.2
149.06015	1.1
151.04012	13.2
193.08691	1.4
231.78412	0.7
233.11913	0.7
235.17171	0.8
239.20024	0.8
246.82549	0.8
305.21252	1.6
306.21982	1.4
357.23978	0.8
381.24295	1.4
385.23798	0.7
386.21008	2.6
400.26196	4.5
401.23151	2.4
402.24121	1.4
409.23904	0.9
415.28461	0.9
425.23199	1.8
426.24066	4.8
427.24841	2.6
441.26297	1.5
443.23944	0.8
444.25174	33.8
445.25418	1.3
459.27530	100.0
460.27893	6.1
501.28677	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	501.2854
Annotation	CHEBI:77908
Peak:m/z	Relative Intensity
52.71062	0.3
55.01862	0.5
65.67766	0.4
67.01887	0.4
69.47647	1.4
99.00927	0.4
108.02139	0.9
109.02950	2.1
110.03716	1.8
122.03701	1.7
123.00909	2.6
123.04543	1.9
124.01643	5.5
125.02477	2.1
136.01665	0.5
137.02441	19.9
137.05991	0.5
138.03229	7.7
139.03944	1.3
150.03189	0.9
151.00339	0.4
151.02837	0.6
151.04001	11.4
152.04706	0.4
153.01891	1.7
161.45457	0.3
164.04710	0.7
165.01865	1.2
165.05521	1.4
166.02698	3.3
174.03181	0.5
175.04012	0.5
179.02007	0.5
179.03488	6.2
179.07056	1.0
180.04233	0.4
187.03983	0.6
193.05003	0.9
193.08656	1.5
202.51820	0.4
207.10239	1.0
221.08035	0.9
221.11749	1.0
235.09828	0.5
235.13327	1.1
249.11249	0.7
249.14818	0.8
254.80621	0.3
263.12817	0.4
263.16476	0.9
277.14413	1.1
277.18033	1.1
291.15833	1.0
291.19388	0.5
305.17856	0.9
305.21173	5.0
319.19131	1.2
333.16940	0.6
333.20670	7.4
347.21899	0.4
357.23569	0.4
371.21478	0.4
371.25854	1.1
387.25217	1.0
397.23657	1.1
399.25247	1.3
415.24731	1.6
425.23196	1.4
429.29657	0.4
435.21579	0.7
443.24307	10.8
444.24875	0.4
451.84198	0.4
453.22000	0.9
457.29410	1.3
458.26385	1.3
468.24942	0.6
469.25613	0.7
471.23450	13.0
472.23987	0.7
473.29019	1.6
486.24774	0.6
486.29861	2.1
501.28421	100.0
502.28882	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	501.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87903	0.5
61.11042	0.6
61.98830	0.6
63.43380	0.5
68.99816	0.7
69.39410	2.0
69.39819	1.1
71.95442	0.6
77.51498	0.5
79.80775	0.5
81.14536	0.5
84.64864	0.5
94.89652	0.5
95.01373	2.2
109.02971	1.1
110.00118	1.2
110.03748	0.5
111.00847	0.6
122.03734	1.0
123.00877	13.1
124.01677	5.9
125.02442	1.4
137.02448	11.8
138.03244	3.0
139.00362	1.9
139.03989	2.0
148.05403	0.6
149.02390	0.6
150.03242	0.8
151.00380	1.7
151.03973	2.3
152.01125	2.3
161.69479	0.6
165.01910	8.7
179.03548	0.6
179.07152	1.8
193.08740	1.0
209.10332	0.6
249.15018	0.8
263.16486	0.6
277.14279	0.6
291.19540	1.8
293.17459	0.8
303.19604	0.8
319.19067	3.2
331.19244	2.1
333.20636	0.9
371.26120	1.4
387.25412	1.7
397.23804	0.9
399.25409	0.9
399.86771	0.6
409.08878	1.1
415.24982	1.9
425.23260	2.0
427.24753	0.7
435.21841	0.6
436.22241	1.7
443.24335	11.8
444.24753	0.9
453.22937	2.0
454.23422	2.9
455.24051	0.9
457.29739	1.0
458.26608	1.1
469.25919	22.8
470.26294	0.8
471.23810	25.4
472.24051	1.6
486.26001	3.3
501.28571	100.0
502.09933	0.9
502.28830	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	501.2853
Annotation	Casearlucin F
Peak:m/z	Relative Intensity
57.64451	1.7
59.01363	4.9
61.98810	8.1
78.95913	4.9
98.21797	4.1
101.86076	2.5
102.50108	1.6
108.02158	5.3
109.02939	21.8
118.52030	1.8
122.03767	2.1
123.00895	2.9
123.04556	2.8
124.01646	5.2
135.04529	2.9
137.02426	30.1
138.03214	7.2
146.65504	2.0
151.04010	30.3
152.99564	8.4
161.06030	2.4
166.66457	1.8
177.05530	4.4
179.32834	2.0
193.08762	2.1
194.81659	2.0
207.10254	3.0
221.11726	2.2
264.17142	2.4
310.37161	2.2
375.15082	1.8
387.99152	1.9
397.23465	2.3
398.24451	2.9
409.23911	10.1
426.24100	100.0
427.24289	5.8
441.26447	67.7
442.26849	4.8
444.24615	3.6
450.23926	3.8
459.27393	4.9
465.26578	20.3
483.27512	6.7
501.28537	96.4
502.28497	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	501.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40017	0.3
54.65088	0.3
55.05878	0.3
65.30259	0.3
67.01881	0.7
69.24210	1.9
69.52164	0.3
73.58027	0.3
95.01378	2.2
96.02155	1.0
98.00106	0.7
108.02148	0.4
109.02966	1.6
110.00092	1.2
110.03741	0.4
111.00865	1.2
122.03718	0.8
123.00883	21.4
123.04514	1.0
124.01666	4.9
125.02424	1.1
135.04512	0.6
136.05327	0.4
137.02441	12.5
137.06073	0.4
138.03226	2.4
139.00410	1.5
139.04028	0.6
149.02437	0.5
149.06071	0.7
150.03209	0.6
151.00389	2.0
151.04008	1.8
152.01141	2.1
153.01900	0.6
163.03996	1.2
165.01921	12.8
165.05586	1.0
166.02690	0.5
174.03212	0.4
175.04002	0.4
177.05576	0.4
179.03484	1.2
179.07132	1.7
186.11749	0.3
193.08678	0.8
207.06656	0.9
207.10306	1.0
216.65065	0.3
221.08206	0.9
221.11757	0.7
235.13341	0.9
249.11465	0.7
249.14865	0.8
263.12753	0.5
263.16605	0.6
277.14291	0.7
277.18115	0.5
281.67886	0.4
289.18213	0.4
291.16525	0.6
291.19635	1.9
293.17606	1.4
303.19586	0.4
305.17746	0.4
317.17377	0.5
319.19257	2.0
331.19464	0.6
333.20569	0.7
367.22586	0.5
411.21661	0.6
415.24551	0.6
421.20178	1.0
428.21606	0.5
428.28149	0.4
429.29190	1.5
437.80765	0.4
439.20993	2.3
442.23334	0.4
443.24323	5.1
453.22812	0.5
454.23752	0.6
455.24283	1.0
456.21539	0.7
458.26822	0.4
465.30115	10.7
469.26337	1.9
471.23672	22.3
472.24164	1.1
473.29175	0.8
486.26160	2.5
486.30270	1.3
501.28622	100.0
502.29111	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	501.2855
Annotation	3alpha,20-Diacetoxy-2alpha-angeloyloxy-9alpha,13R-epoxy-7,14-labdadiene
Peak:m/z	Relative Intensity
55.34943	0.3
58.56181	0.3
59.01362	0.4
67.50381	0.4
69.52823	1.3
77.45361	0.3
95.01355	0.8
96.02170	1.2
98.00093	0.6
99.00873	0.7
105.18116	0.4
108.02175	0.3
109.02920	0.9
110.00082	0.7
111.00867	1.0
122.03738	0.4
123.00882	12.3
124.01669	4.4
125.02413	0.8
136.01627	0.4
137.02443	8.8
138.03223	0.8
139.00343	1.0
139.04027	0.5
148.01688	0.4
150.03220	0.6
151.00301	0.4
151.03990	0.8
152.01152	4.3
153.01842	0.4
156.97778	0.5
163.00352	0.4
163.04008	1.0
165.00655	0.6
165.01917	6.6
165.05566	0.8
166.02669	1.0
167.14415	0.4
174.03265	0.5
175.04092	0.6
176.01106	0.8
177.02037	0.4
177.05571	0.7
179.03473	1.3
179.07124	1.4
189.01964	0.4
190.02695	0.4
193.08679	1.0
197.15416	1.2
207.06540	0.7
207.10240	0.4
208.07469	0.4
209.15428	0.8
221.08133	1.0
221.11707	0.4
222.08914	0.4
223.13391	0.3
235.09680	0.9
235.13422	0.9
237.14801	0.6
238.15244	1.4
239.15459	0.9
249.11238	1.2
249.14896	0.6
253.14435	8.6
261.15048	0.4
263.12881	1.2
263.16443	0.5
277.14444	1.1
277.17969	0.5
278.14963	0.6
281.69357	0.4
289.14441	2.3
289.17371	0.3
290.15262	1.7
291.16302	0.7
291.19626	2.2
303.19525	0.4
305.17484	0.8
319.15433	0.4
319.19122	8.6
333.20764	0.5
411.21591	0.7
425.23203	0.4
439.21115	0.8
443.24387	4.0
453.22198	0.5
456.21097	0.5
458.26263	0.5
471.23706	12.0
472.24313	0.7
473.28900	0.4
486.26361	1.1
501.28503	100.0
502.28976	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	501.2859
Annotation	CHEBI:69121
Peak:m/z	Relative Intensity
69.17414	4.3
72.59600	0.8
98.22695	1.4
104.35513	0.7
108.67838	0.8
109.02988	1.2
122.03752	5.6
123.00893	1.2
123.04495	3.4
124.01620	1.0
129.40356	0.8
135.04555	0.7
137.02444	3.8
138.03217	13.4
148.05290	2.9
149.06082	0.9
151.03996	6.9
159.04488	0.8
161.02455	2.5
161.06059	0.8
162.03229	1.0
164.01265	0.8
164.04823	1.4
165.01907	1.0
165.05551	4.0
166.02666	0.7
167.14442	2.6
175.04022	2.8
176.01115	1.9
176.04811	0.7
177.01898	2.0
179.03621	0.8
187.03998	1.1
189.01866	4.3
190.02679	2.5
203.03514	4.4
204.04198	0.8
205.01387	4.9
207.13924	0.8
209.15442	1.1
217.05028	7.2
221.15440	1.2
223.13484	1.1
231.03119	1.0
231.06784	1.0
231.13776	0.8
233.15442	2.5
237.83124	0.7
245.15332	1.1
247.13353	1.2
249.14874	3.4
253.14394	2.5
261.14954	2.4
277.14441	6.0
278.14752	1.3
287.12958	1.0
287.16537	0.8
288.13760	1.4
288.17242	0.9
288.97293	0.8
289.14459	6.9
290.15149	1.0
291.16022	2.5
300.17188	0.8
303.16080	1.1
305.13843	1.6
305.21240	1.0
315.15961	1.6
316.16769	4.4
318.21921	0.8
330.14807	1.2
332.16318	1.2
333.20682	0.9
344.16217	1.2
385.31113	1.1
401.30490	2.2
413.30435	3.1
425.26996	1.4
427.28455	0.9
429.30054	16.4
443.28012	1.5
445.29550	2.1
453.26321	4.9
454.27209	1.5
455.27814	1.5
457.29562	18.3
471.27606	16.1
486.29886	24.4
501.28693	100.0
502.27914	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	501.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43020	0.8
53.19157	0.6
53.89808	0.7
64.09033	0.6
69.80822	2.3
69.81181	0.7
82.48161	0.8
92.51753	0.8
95.01377	0.8
98.22560	1.2
99.00884	3.8
104.02641	1.1
108.02137	0.9
109.02921	0.8
122.03714	0.8
123.00864	2.3
124.01614	0.8
125.99625	3.7
137.02391	1.3
138.03209	1.0
148.01669	2.2
150.03227	2.3
153.12871	0.8
159.04486	0.9
161.02431	1.9
163.00340	1.3
164.01134	1.3
165.01909	1.1
175.03949	0.9
176.01134	7.2
177.01933	2.7
189.01952	3.5
190.02690	2.8
190.32980	0.8
197.15454	6.6
201.05510	1.0
209.15443	5.4
219.13762	0.9
223.13414	1.4
225.14909	2.5
233.15569	1.7
235.13329	1.6
247.13451	1.7
249.14906	1.0
253.14430	58.5
254.14720	1.7
254.84744	0.8
261.14920	4.5
279.16229	1.6
289.14456	20.5
290.15182	12.5
290.64966	0.8
327.16663	0.7
340.34033	0.7
365.73505	0.7
381.66205	0.8
408.26926	0.9
457.29611	2.4
473.29254	2.0
486.28299	1.0
501.28598	100.0
502.28848	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	501.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64622	0.2
55.01880	0.2
59.80475	0.2
68.62701	0.2
68.77676	0.2
69.84861	0.4
69.85224	0.4
74.83965	0.2
95.01377	0.3
108.02133	0.3
109.02932	0.6
110.03715	0.5
111.00879	0.3
111.04533	0.3
117.53658	0.2
119.05024	0.3
122.03737	10.0
123.00873	2.1
123.04521	6.3
124.01619	1.2
124.05200	0.3
125.02428	0.7
135.04518	1.1
136.01637	0.4
136.05292	1.3
137.01424	0.4
137.02431	5.4
137.06087	1.1
138.03218	28.4
139.03955	0.7
147.04527	0.4
148.05321	1.3
149.06158	1.3
150.03188	0.8
150.06856	0.2
151.04004	11.7
152.04788	2.3
160.05283	0.6
161.06085	0.2
162.06898	0.2
163.04028	0.6
163.07690	0.4
164.04794	3.8
165.01872	0.8
165.05559	7.2
166.02718	0.6
175.03976	0.3
175.07683	0.6
177.05551	0.7
178.06329	1.1
179.03445	0.5
179.07062	1.2
179.10759	0.3
191.07085	0.9
193.08716	0.6
193.12221	0.3
204.07924	0.3
207.10222	0.9
221.11801	0.9
223.13400	0.3
235.13351	0.4
248.14055	0.3
249.14946	0.3
263.16522	0.5
277.18008	0.5
277.30368	0.2
289.18167	0.3
290.19003	0.3
291.19507	0.4
303.23267	0.3
304.16568	0.2
304.62704	0.2
305.17645	0.3
305.21017	0.4
306.21942	0.3
307.19177	0.5
317.21072	0.6
318.22037	1.1
319.22626	1.6
331.22705	0.4
333.20712	0.4
333.24255	0.3
353.24606	0.5
369.24045	0.5
369.28293	0.3
371.25784	0.5
381.28229	0.3
387.25256	0.7
397.22900	0.3
397.27597	0.5
399.29160	0.4
415.24130	0.4
415.28622	0.8
425.00900	0.2
425.26898	4.1
427.28317	1.1
435.25531	2.0
437.26859	0.8
443.28119	1.9
453.26355	8.8
454.27261	4.0
455.27972	3.4
456.25003	0.4
457.29510	0.4
458.30627	0.5
461.89728	0.2
469.29880	1.3
471.27521	30.3
472.27969	1.2
485.29123	0.3
486.29849	42.6
487.30280	2.1
501.32425	100.0
502.32889	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	501.3218
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.01859	0.6
70.81032	1.0
87.60808	0.5
90.46230	0.6
95.01376	1.5
109.02937	1.8
110.03705	1.0
111.00906	0.6
113.36607	0.6
122.03731	8.8
123.00883	10.2
123.04517	7.0
124.01682	2.9
125.02446	1.1
130.25066	0.6
135.04532	1.4
136.05293	1.1
137.02451	6.8
138.03223	28.5
139.03989	0.7
148.05276	1.9
149.06111	1.3
150.03177	1.1
151.00380	0.6
151.03998	12.1
152.04756	2.0
163.03943	1.0
164.04784	4.7
165.01897	5.1
165.05551	8.3
166.02739	0.9
175.03932	0.5
177.05556	0.5
178.06335	1.0
179.07161	1.9
189.01901	1.0
191.07159	0.8
207.10246	1.2
217.05095	0.8
221.11798	1.6
235.13448	0.6
240.28180	0.6
249.14879	1.0
253.14465	0.6
263.16504	0.8
268.14572	0.6
277.14218	0.8
277.18011	0.7
289.14355	0.6
291.19540	2.2
301.21545	0.6
317.17737	0.7
318.22006	0.7
319.19034	1.0
319.22705	1.5
353.24634	0.8
387.24774	0.6
399.28973	0.6
415.23981	0.8
425.26895	3.5
427.28427	1.4
429.30115	1.9
435.25314	1.5
439.20978	0.8
443.23953	1.6
453.26453	9.7
454.27338	4.1
455.28204	3.2
457.29495	2.2
468.28067	0.6
469.29877	0.7
471.28000	30.2
472.27853	1.3
473.29144	0.6
486.29889	46.2
487.30096	2.4
501.31906	100.0
502.33472	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	501.3221
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
59.65427	0.4
61.98819	0.8
65.91228	0.4
70.17357	0.7
77.55714	0.4
78.95921	0.4
81.03447	4.4
94.41694	0.4
95.01364	0.7
108.02181	1.7
109.02950	14.9
110.03755	1.1
115.23517	0.4
121.02985	0.4
122.02882	0.8
122.03738	12.6
122.04620	0.6
123.00876	2.3
123.04529	13.1
124.01691	3.4
125.02412	0.9
136.05267	0.5
137.02443	20.1
137.06073	7.7
138.03242	5.3
146.75932	0.3
149.02400	0.3
150.03223	0.7
151.04005	21.9
152.01154	0.6
156.37038	0.4
157.88335	0.4
165.05554	1.3
179.07185	0.4
193.08763	1.3
207.10236	1.3
249.14871	0.6
297.29361	0.4
313.38248	0.4
319.22916	0.6
320.23456	0.8
331.22748	1.5
347.22235	2.1
348.23029	13.4
349.23672	3.2
363.25348	3.2
397.23825	0.6
408.33585	0.4
451.28885	0.7
453.26263	0.5
468.28720	3.8
469.29584	1.6
471.27939	0.6
474.15677	0.4
483.31198	1.0
486.29861	48.1
487.30295	2.0
501.32239	100.0
502.32501	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	501.3223
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.10524	1.1
69.21390	4.7
71.19542	0.9
77.15212	1.1
90.46360	0.8
97.03019	1.0
98.21883	2.2
108.02199	4.1
109.02953	5.8
110.60424	0.9
116.92878	1.3
121.02971	1.1
123.00938	2.5
124.01656	12.6
125.02465	5.2
135.04504	1.5
137.02473	9.0
138.03215	4.6
150.03239	3.1
151.04047	3.2
152.01224	1.2
162.03394	1.2
165.05531	1.1
177.05560	2.0
193.09023	1.0
195.21786	0.9
202.85226	1.1
208.94240	0.9
238.15440	2.8
239.15515	1.9
250.15378	1.4
251.26822	1.0
303.19724	3.1
304.20605	2.0
369.24234	1.1
395.22592	1.6
405.20758	2.2
413.23557	3.1
423.21759	5.0
424.22702	2.3
435.91284	1.2
438.24362	2.1
439.25067	3.2
441.22879	8.9
444.77646	1.1
453.26404	2.2
456.25168	15.1
457.25217	1.3
471.27527	31.4
472.28030	2.1
486.29871	83.2
487.30615	4.4
501.32471	100.0
502.32690	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	502.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42831	0.2
57.03442	0.3
58.17024	0.2
59.01380	2.4
61.98827	100.0
69.16705	1.2
71.01389	0.3
74.63155	0.2
82.95427	0.2
93.44597	0.2
118.06643	0.3
125.02449	3.7
137.02460	0.5
152.01106	0.2
161.02437	1.4
162.03094	0.3
162.21199	0.2
162.40474	0.2
167.03468	0.3
177.05640	0.3
190.05032	0.3
271.06070	0.3
281.10681	0.8
283.91339	0.2
287.05756	0.6
296.12955	0.5
301.03656	0.2
340.11871	1.1
352.50729	0.2
430.27277	0.2
464.09186	0.3
502.16696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.9
59.01378	79.5
61.98836	6.1
69.03465	4.9
69.86070	6.4
71.01380	37.7
73.02946	18.4
75.12788	1.8
80.62717	1.9
81.03442	2.7
83.01400	2.7
85.02948	15.3
89.02438	23.5
91.01902	10.2
93.03452	10.4
97.02953	9.0
99.00871	3.0
101.02445	31.5
103.04012	31.4
113.02425	2.8
115.03987	2.1
119.01407	4.8
119.03497	13.8
121.02967	10.3
125.02451	36.9
127.04006	4.0
137.02449	10.0
143.03508	6.3
145.05096	5.8
151.04002	100.0
156.33145	1.9
163.06111	28.0
175.06235	2.0
247.08134	11.3
276.64487	2.4
307.10315	27.8
350.15710	2.3
427.12296	4.6
427.88959	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	502.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01154	0.9
59.01382	9.9
61.98821	5.7
71.01385	5.3
73.02945	2.2
85.02954	1.4
89.02451	3.7
93.03452	3.8
96.96001	12.9
99.92596	1.2
101.02455	8.0
103.04004	4.2
113.02399	1.5
115.03989	1.1
116.92845	6.6
119.03475	0.9
125.02431	2.4
143.03438	1.2
146.08229	3.6
151.04010	100.0
152.04330	1.5
163.06087	4.8
166.06314	1.0
183.99205	1.4
193.01480	1.7
194.01836	1.1
199.97012	1.3
205.07158	2.2
218.10274	1.2
223.07701	1.0
241.01491	1.4
273.31888	0.9
298.03546	2.9
307.10352	3.6
310.03479	2.4
344.02249	7.1
456.12625	1.8
459.15039	1.7
466.06958	2.0
467.08060	1.0
503.16397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25460	2.0
59.01379	27.8
60.01671	2.5
61.98829	100.0
64.52724	2.5
70.12585	2.9
70.12926	4.8
92.25784	2.2
100.73685	2.3
136.33067	2.1
148.08939	2.8
169.47209	2.3
176.08409	15.3
191.10776	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63063	2.0
57.03440	3.0
57.42970	1.9
59.01377	100.0
60.01709	8.8
61.98823	13.2
70.28217	5.1
70.48816	2.4
71.01380	10.9
72.16029	2.2
73.02939	8.8
75.00870	2.2
79.05647	2.0
82.95406	3.3
83.01391	3.5
84.95115	3.7
85.02937	3.6
86.03333	3.0
87.00871	2.4
89.02438	5.7
101.02428	7.2
104.91429	2.3
107.02261	2.0
113.02486	3.7
125.02407	4.9
128.03513	6.4
132.74570	2.4
137.60667	2.1
142.72394	2.1
143.04610	7.0
146.04553	3.5
160.00772	2.2
161.04482	2.1
205.25198	2.0
216.26071	2.1
228.24251	2.1
254.07848	2.7
272.08975	6.4
288.06790	2.5
306.07678	19.4
339.14810	2.2
340.14557	3.5
399.23752	2.8
416.23544	3.8
417.25381	2.8
459.22147	4.8
484.29407	2.3
502.23669	3.5
502.30405	4.1
503.24814	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	502.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29996	0.7
58.99464	0.6
61.98828	100.0
65.42870	0.7
71.43527	0.7
78.95905	3.7
102.92268	0.6
152.99594	5.9
213.74083	0.8
433.24017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12630	0.2
61.98828	100.0
65.29084	0.2
66.47464	0.2
70.12819	0.7
71.92708	0.3
72.57116	0.2
91.07730	0.3
94.67583	0.2
114.10238	0.3
114.71495	0.2
157.53775	0.2
173.08601	0.2
186.80130	0.2
463.57822	0.2
466.91409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.177
Annotation	Coniferinoside
Peak:m/z	Relative Intensity
55.01871	0.9
56.35767	0.9
57.03421	3.6
59.01379	36.9
61.98834	4.7
69.03397	0.9
71.01383	12.3
73.02917	3.6
83.01363	2.1
85.02953	6.3
87.00846	2.8
88.98810	7.0
89.02441	4.7
93.03427	1.0
95.01361	1.4
97.02964	1.0
99.00838	2.3
101.02444	9.0
107.01307	1.0
109.02946	11.3
111.00829	1.8
113.02451	7.0
119.04957	1.2
121.02916	2.6
123.04604	1.0
124.01622	2.1
125.01632	1.5
125.02449	21.0
135.08160	53.8
136.08519	1.2
137.02409	3.0
139.04018	7.1
151.00314	2.1
152.01134	2.1
153.01936	25.4
161.02429	4.6
161.04535	5.8
161.05763	1.3
165.01944	1.1
167.03426	2.2
177.01904	2.5
179.07135	100.0
180.07425	2.0
182.16377	1.2
217.04922	2.4
221.06541	1.1
263.05521	1.3
269.10159	3.9
281.13882	3.0
285.03952	3.8
287.05368	1.8
303.04993	1.6
305.06610	5.4
311.11218	2.4
323.11371	1.2
323.14856	1.9
341.11795	1.0
341.15756	2.2
401.14410	5.5
437.10852	1.8
441.07977	1.0
443.15527	7.8
465.10287	16.1
467.11075	4.1
503.17459	74.2
504.17572	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	503.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99190	0.2
58.09000	0.2
59.01375	1.3
61.98819	0.4
66.39001	0.2
69.60371	0.7
71.01390	0.6
71.81522	0.2
72.99305	0.3
75.50546	0.2
78.95899	5.4
79.95732	1.9
80.91653	0.6
88.98822	0.4
89.02442	0.4
93.79027	0.2
96.96010	100.0
96.96922	12.9
98.22618	0.4
101.02447	0.3
111.00858	1.5
112.01241	0.6
118.96616	0.2
120.50235	0.2
125.02435	0.6
136.04041	1.0
137.02452	0.5
142.96571	0.3
156.98135	0.3
169.01517	0.3
172.95500	0.3
265.07495	0.5
344.02448	0.4
345.02823	0.4
383.09946	0.4
385.96329	0.2
454.87943	0.2
503.13882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
58.46001	1.9
58.74166	2.0
59.01379	100.0
69.43114	8.4
71.01381	5.7
73.02933	2.4
77.00393	1.9
79.91270	1.8
80.98006	1.7
85.02934	3.1
85.44453	1.7
89.02439	4.4
90.77870	1.7
97.60297	1.9
101.02430	8.4
113.02461	3.5
125.02494	2.5
131.66605	2.2
145.52225	2.4
174.88797	2.0
209.13655	2.0
381.22806	5.8
423.23755	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	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82079	0.3
55.01871	0.8
57.03434	1.1
59.01377	21.0
61.98830	17.2
69.03457	0.9
69.28131	2.0
70.15479	0.4
71.01384	14.2
72.99335	0.9
73.02942	6.2
75.00853	0.9
81.03483	0.5
82.95415	0.5
83.01395	2.1
84.95126	0.9
85.02956	4.0
87.00857	2.9
88.98802	0.9
89.02446	12.0
95.01369	0.8
97.02940	2.0
99.00878	7.6
101.02443	9.8
108.02184	2.2
109.02946	0.9
111.00831	0.6
113.02444	4.2
115.04001	0.9
119.03484	1.7
121.03011	0.5
122.01574	0.4
123.04533	1.1
125.02454	2.7
129.01941	0.7
131.03511	1.3
135.04544	0.9
137.02438	3.3
139.03995	0.6
143.03450	0.7
148.08934	1.4
149.04568	0.7
151.03993	1.1
160.85005	0.4
161.02432	0.7
161.04573	0.8
167.03572	0.5
176.08435	7.1
177.09192	1.2
178.09892	0.7
179.10710	0.6
191.03871	0.4
191.05576	1.1
191.10776	14.2
192.00627	0.8
193.08704	1.4
193.12335	2.2
194.09479	2.0
195.06754	0.4
195.10172	0.9
207.02925	0.8
209.11818	41.9
210.12146	1.4
225.05840	0.5
233.04498	0.4
233.06642	0.7
251.12910	0.9
313.63092	0.4
341.15878	0.4
359.58511	0.5
371.17105	12.1
372.17032	0.9
464.62134	0.4
503.21310	100.0
504.21741	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82585	1.0
57.03436	1.1
59.01377	100.0
60.01706	2.3
60.09779	1.0
61.01797	1.5
61.98827	2.8
63.99270	1.0
69.93918	1.7
69.94254	2.0
71.01373	17.0
72.99304	2.2
73.02940	9.0
82.95412	1.1
83.01385	3.1
83.72052	1.0
85.02950	7.5
86.25862	1.0
86.48981	1.0
87.00873	4.6
89.02432	8.7
95.01369	1.6
101.02433	9.7
113.02454	11.5
119.03483	3.5
124.56261	1.0
125.02441	3.4
161.04501	3.6
179.05534	1.5
192.00555	1.1
196.06087	3.5
267.07220	1.2
281.17538	1.6
289.07425	1.5
307.08005	1.1
399.23810	10.3
417.24881	7.9
443.22766	1.5
459.26645	1.9
461.23587	1.4
485.23721	1.8
503.25635	14.1
503.32324	1.5
504.17328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.1
57.03433	1.4
57.20308	0.9
59.01378	100.0
60.01699	1.4
61.98796	1.1
69.68444	2.1
71.01379	11.6
73.02944	12.2
83.01375	3.6
85.02965	6.3
87.04507	1.4
89.02438	4.2
93.00948	1.0
95.04939	0.9
98.87154	0.9
99.00855	2.2
101.02441	9.2
103.05483	1.0
108.02196	1.2
109.02930	1.1
113.02460	10.1
119.03545	1.5
123.00829	1.1
124.01711	1.1
125.02435	4.8
129.42245	0.9
135.04442	1.0
137.02379	1.8
153.01968	1.2
161.04521	3.9
179.10706	2.0
194.59415	1.2
195.02960	1.6
221.11803	1.7
224.57431	1.2
231.46671	1.0
250.98384	1.0
255.05095	1.9
299.18356	1.2
306.07803	1.0
308.44296	1.0
399.23825	8.6
417.24945	4.5
459.22144	13.8
478.52579	1.0
503.26102	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	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95641	1.3
52.49836	1.6
55.01865	1.8
57.03437	1.9
59.01375	100.0
62.83657	1.4
70.51237	2.9
71.01054	1.9
71.01381	18.6
72.99290	6.2
73.02950	12.3
76.74275	1.5
83.01360	4.2
85.02947	12.1
87.00857	9.1
89.02437	4.2
95.01349	2.7
101.02439	26.3
113.02461	11.1
125.02435	7.5
143.03496	1.8
160.86172	1.8
161.04556	7.2
177.01875	5.4
233.77261	1.6
307.59729	1.7
399.24011	9.1
417.24915	43.9
418.25293	1.6
443.22757	3.7
459.26141	21.9
460.26404	2.3
485.23849	4.5
503.25092	31.2
503.32043	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	503.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42492	5.4
59.01373	40.0
109.02943	8.5
117.20080	5.7
137.02441	8.2
139.00392	9.2
141.01692	32.7
152.61220	5.1
152.99509	7.2
166.43236	5.3
238.40915	5.8
259.52655	5.6
260.48846	7.5
459.31073	8.4
459.68518	6.3
473.24496	12.9
488.25156	45.9
503.28143	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	503.3018
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
61.56448	2.2
61.98806	2.3
62.71310	2.0
68.16336	2.3
69.84011	6.1
69.84358	2.8
73.74509	2.3
111.00885	2.6
122.03740	8.4
123.00902	3.6
124.01694	3.6
135.04428	2.6
137.02504	4.3
138.03226	2.8
139.00349	5.5
150.03226	5.3
152.01183	2.9
164.01143	3.4
166.02567	2.2
167.14415	19.3
177.01999	8.0
179.89552	2.2
191.03543	2.8
223.13411	9.7
237.14981	3.8
242.00110	2.6
249.15047	10.0
250.15691	4.0
251.10655	2.4
251.12856	13.9
251.16557	9.8
253.14493	4.3
263.16394	11.3
268.05423	2.4
269.13995	6.6
277.14471	8.2
289.14450	8.5
290.15237	29.0
291.16037	34.2
293.17581	4.4
335.15140	3.4
360.98013	2.3
383.07321	2.7
413.30841	2.5
415.32285	2.6
431.31812	6.7
441.30084	16.3
459.31146	31.7
467.31805	13.3
475.28110	4.2
503.30096	100.0
504.30786	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	503.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
58.00591	0.9
59.01376	60.3
64.27374	0.6
69.46866	2.4
71.01009	0.7
71.01380	9.6
72.99316	0.6
73.02943	8.6
75.89257	0.5
78.95901	0.7
81.03411	0.6
83.01423	0.6
85.02947	10.6
89.02437	13.3
95.53793	0.4
98.22588	0.6
99.00891	0.7
101.02442	9.4
103.04012	11.7
109.02985	0.7
119.03482	6.4
127.04056	0.7
145.05040	2.2
147.49759	0.5
163.06117	9.6
169.12332	100.0
170.12645	1.7
183.74701	0.5
187.13354	2.0
198.25008	0.5
228.48439	0.5
333.19156	17.6
334.19696	0.6
339.25516	1.3
415.32861	0.6
457.10046	1.9
475.44379	0.5
503.25204	1.7
503.31653	1.2
506.87326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.1
57.89939	0.6
61.98826	29.9
64.03462	0.6
81.03445	1.0
83.01371	1.2
88.95396	0.6
95.04997	0.9
104.39999	0.6
105.03458	2.0
105.16147	0.6
108.02149	0.7
109.02950	39.7
125.02439	54.2
126.02814	0.5
137.02444	2.3
139.04076	1.2
149.02411	0.6
153.01929	100.0
154.02313	1.4
161.02440	19.4
162.99709	0.5
165.01917	1.6
167.03470	1.0
175.03999	0.7
177.05496	1.1
179.03479	1.0
183.04585	0.6
201.05641	0.6
203.03537	0.7
219.06561	1.3
269.04587	2.4
287.05582	13.2
305.06595	7.9
441.08209	7.9
461.20047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01377	1.7
61.98827	17.7
69.03424	1.1
69.10798	6.1
71.00034	0.8
81.03452	2.1
83.01388	1.9
87.00931	0.9
88.98820	2.0
89.02439	1.1
93.03475	1.1
95.05000	0.9
97.02943	3.4
102.85403	0.9
107.01398	1.1
109.02950	20.8
121.02972	0.9
123.00906	2.2
123.04508	3.7
124.01656	3.6
125.02444	67.8
126.31203	0.8
137.02463	6.8
145.02950	1.6
147.99446	0.9
149.02432	2.5
151.04047	4.5
153.01927	29.4
159.04561	1.1
160.20955	0.9
161.02472	5.2
161.06065	2.1
162.03197	0.8
165.01913	1.5
166.99854	1.9
168.00687	1.4
169.01424	100.0
172.32021	0.8
179.03430	2.8
187.04033	1.3
188.04724	1.3
193.01436	2.8
203.07182	4.5
205.01573	0.9
205.05072	1.8
245.08214	8.1
253.04973	1.2
271.06161	4.8
287.05542	2.7
289.07175	36.2
303.05057	1.7
305.06680	2.2
331.04767	2.1
441.08231	44.3
442.08691	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	504.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21623	1.0
68.96211	1.1
69.69843	2.1
69.70222	2.8
76.73641	1.2
88.04059	1.2
108.02168	58.0
109.02970	11.4
123.18035	1.2
129.97594	1.2
133.98074	1.4
139.95845	1.2
142.81232	1.1
151.03958	1.5
152.01152	53.8
153.01936	26.9
163.04027	1.1
173.83331	1.1
285.06149	100.0
286.06464	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	504.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74768	0.6
56.69182	0.6
59.01377	1.7
61.98829	100.0
64.77467	0.6
69.29807	2.5
81.68111	0.6
97.08839	0.5
98.22613	1.1
122.03737	9.0
125.02438	1.0
135.04469	0.6
136.05360	0.8
137.39070	0.5
163.07620	0.6
178.09988	8.9
193.12325	82.3
194.12671	1.5
367.75131	0.6
407.57394	0.6
431.62619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97332	3.8
57.02220	3.6
77.02691	3.7
84.00905	100.0
89.13820	4.3
105.83600	4.3
123.98039	4.1
145.48952	4.8
217.78842	4.2
235.85857	4.8
274.06589	3.7
287.11734	5.1
361.23633	7.5
362.24570	45.8
404.25644	5.6
419.27805	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	504.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.52158	0.4
84.42900	0.2
90.11459	0.2
144.88779	0.2
192.64600	0.2
238.91037	0.2
258.78320	0.2
355.46066	0.2
441.30057	0.3
466.30762	0.3
504.26413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Myricetin 3-acetylrhamnoside
Peak:m/z	Relative Intensity
55.38305	0.4
57.03443	0.8
57.16913	0.5
57.88986	0.5
59.01378	8.4
60.99310	0.7
61.98822	1.8
63.02390	0.7
65.00324	0.8
69.21287	0.5
71.01378	2.7
73.02950	3.0
75.00864	0.8
75.56715	0.4
79.73405	0.4
81.17462	0.4
83.01391	0.9
85.02962	1.7
87.00833	0.5
88.98809	1.6
89.02454	1.1
91.05531	1.0
95.62054	0.5
100.04095	0.5
101.02432	2.3
107.01385	1.7
109.02959	1.3
111.00870	2.2
112.25279	0.5
113.02454	1.9
114.23524	0.5
124.01651	2.7
125.02444	2.1
131.03554	0.5
135.00916	0.5
135.04530	0.6
136.01671	1.0
137.02449	3.5
148.01619	0.6
151.00343	6.5
152.01175	2.0
161.09735	1.2
162.57536	0.4
163.00368	1.9
163.21288	0.5
164.01149	2.0
165.01939	0.6
167.03506	0.6
169.01395	1.0
175.04082	0.6
178.99863	8.3
179.10828	1.0
192.00574	0.6
193.01453	0.5
199.03984	0.8
203.03465	0.7
203.10745	0.9
204.04153	0.9
214.02690	7.8
215.03445	0.8
221.11812	4.0
227.03545	1.1
242.02170	6.7
243.02985	3.9
249.06166	0.6
255.16170	0.9
259.02463	6.3
270.01669	7.6
271.02466	43.5
272.02881	1.0
281.06616	0.7
287.01981	22.9
288.02524	2.2
315.01245	0.6
316.02216	100.0
317.02902	13.2
322.06470	0.5
445.24432	0.7
463.08780	1.4
505.09885	72.8
505.22791	5.8
506.10391	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93678	0.6
52.04941	0.7
54.06712	0.7
54.09041	0.6
59.01377	10.1
61.98803	1.1
65.08054	0.7
71.01370	2.8
73.02935	2.3
83.01376	1.0
85.02964	1.1
88.98832	0.9
89.02438	0.9
93.03456	52.9
97.00067	0.7
101.02444	2.1
113.02457	1.4
120.12380	0.8
125.02468	1.1
137.02444	100.0
138.02754	1.3
188.07249	1.2
189.01923	0.8
203.77097	0.7
221.19389	0.7
223.13469	1.5
253.29048	0.8
301.20157	1.1
315.94232	0.7
330.76495	0.7
364.34454	0.7
425.14590	8.6
462.16556	1.3
469.20798	2.0
505.25293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36447	0.4
59.01348	0.5
60.01329	0.5
69.82040	0.9
69.82404	0.9
78.33629	0.5
116.92865	0.5
121.02950	100.0
122.03252	0.6
123.04459	0.7
160.84210	0.7
162.83868	0.6
173.36754	0.4
177.84529	1.4
179.84207	1.3
180.05843	0.7
180.59540	0.4
181.06609	3.1
197.06087	3.1
207.04495	1.3
225.05551	2.5
251.07089	0.7
257.09802	0.7
313.07123	4.6
357.06165	1.5
383.07709	1.3
391.77939	0.5
417.09805	9.3
433.09131	0.5
445.19415	0.8
450.72348	0.5
461.12552	0.5
505.11453	10.5
506.11377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
57.03446	1.1
59.01379	25.0
59.69305	1.1
60.99290	1.2
61.98825	2.3
62.38034	1.1
69.40347	4.8
71.01377	11.7
73.02937	4.6
81.03442	1.5
83.01385	2.9
85.02950	6.4
87.00881	2.2
88.98807	15.3
89.02433	10.0
93.03444	1.8
95.01356	1.6
95.04981	1.1
97.02949	2.0
99.00876	1.7
101.02451	10.9
105.07133	1.3
105.33781	1.1
106.04357	1.0
107.01383	1.3
107.05025	4.0
108.02170	3.3
109.02951	2.1
109.86022	1.1
113.02469	5.6
114.19247	1.0
117.03494	2.0
119.08646	1.8
120.99745	1.1
121.02966	1.7
123.04527	4.0
125.02430	11.2
129.07121	3.8
131.03519	6.0
134.03738	1.5
135.04553	5.7
135.08145	1.2
137.02441	4.2
139.03973	2.3
145.02946	6.1
145.06567	2.8
147.04477	1.3
147.08153	4.2
148.05257	2.7
149.04459	1.8
149.06003	4.7
151.00351	4.2
151.03944	2.2
152.01198	2.5
153.01892	1.2
158.03697	3.6
160.05365	1.0
161.02426	1.3
161.04562	4.1
161.06076	10.0
162.03169	3.1
163.07642	20.7
167.03476	7.5
169.01402	1.5
171.04596	1.2
173.06090	17.5
175.04015	2.6
175.07681	1.8
176.04816	6.9
177.01828	1.4
188.04721	2.1
189.05573	4.4
191.07130	27.2
192.00621	1.3
192.07413	1.3
193.05020	2.0
201.05704	1.4
203.07123	10.2
207.02902	1.2
207.06615	16.5
209.04495	4.8
217.05058	1.6
231.06766	1.4
235.06100	100.0
236.06424	1.6
265.07095	6.9
269.06635	15.1
270.07053	1.4
277.07156	1.3
301.07037	1.5
305.06659	2.7
313.16553	13.1
314.16803	1.5
317.06561	2.7
337.09464	1.6
355.10818	3.3
399.04483	1.1
434.57297	1.2
445.14862	2.2
445.20520	18.7
461.25571	1.3
467.13333	5.5
487.19672	1.8
505.09988	1.7
505.27313	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	505.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03443	1.4
59.01377	19.3
60.99305	3.2
61.98830	2.3
65.00311	1.1
67.01894	1.2
69.39773	4.7
71.01383	10.7
72.99314	1.1
73.02944	3.9
81.03465	1.3
83.01389	2.3
85.02940	4.4
87.00871	1.9
88.98812	14.1
89.02451	11.4
93.03468	2.0
99.00903	1.0
101.02438	11.2
105.07159	1.0
107.01419	2.4
107.05019	4.8
108.02173	2.9
109.02960	3.3
113.02435	4.8
117.03465	1.1
117.07080	1.0
119.08659	1.4
121.02914	1.0
121.06638	1.3
122.03731	0.9
123.04519	3.8
125.02454	8.4
129.07111	3.1
131.03494	4.2
134.03722	1.3
135.04518	5.5
137.02454	4.7
138.02008	0.9
139.04002	1.6
145.02986	3.4
145.06584	2.0
147.04546	2.2
147.08167	4.7
148.05339	2.7
149.04539	2.2
149.06073	5.8
150.03175	1.0
151.00360	3.4
151.03967	1.3
152.01099	1.9
153.01974	2.5
153.72990	1.0
158.03787	4.9
159.04692	1.0
160.05281	1.8
161.04553	4.7
161.06071	7.5
162.03230	2.9
163.03984	1.1
163.07637	22.1
163.08932	1.6
165.01965	1.4
166.02669	1.5
167.03511	6.9
169.01364	0.9
170.67584	0.9
171.04427	1.1
173.06067	17.8
175.04001	3.1
175.07663	2.8
176.04770	7.7
177.01996	2.3
177.86467	0.8
188.04800	2.2
189.05531	6.2
190.06264	1.3
191.03467	1.2
191.07133	23.1
192.00615	1.9
193.04990	2.1
194.02208	1.5
201.05562	1.3
201.75117	1.0
203.07126	8.4
205.05075	1.9
207.03116	1.1
207.06618	15.9
209.04549	4.4
217.05090	2.7
219.06271	0.9
221.04730	1.1
234.01584	1.1
235.06104	100.0
236.06537	2.5
265.07150	7.7
269.06653	16.8
301.06927	2.2
305.06653	2.6
313.16544	10.8
317.06757	2.8
337.03259	1.0
337.09186	1.8
353.09949	1.4
354.10565	1.4
355.10895	2.5
445.20605	14.8
461.25137	2.0
467.13382	5.4
487.19598	1.5
505.20615	1.9
505.26566	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Streptonigrin
Peak:m/z	Relative Intensity
57.03450	3.9
59.01378	37.0
60.73887	1.3
61.98827	1.7
68.87364	1.2
69.25911	7.9
71.01009	1.9
71.01382	24.9
72.99316	7.2
73.02950	4.5
75.00874	29.9
85.02949	30.8
85.03458	2.0
87.00873	7.9
88.98791	3.9
89.02428	8.2
89.73845	1.4
93.03458	7.9
95.01368	8.5
98.22585	3.0
99.00877	14.7
101.02414	2.6
101.39668	1.5
103.00376	3.4
111.00891	1.5
113.02449	47.9
115.00404	2.9
117.01946	5.0
121.02958	100.0
125.02406	3.1
129.01961	2.3
135.04527	3.8
137.02444	23.6
151.04008	31.3
157.01382	1.4
175.02481	5.0
204.85623	1.6
209.11856	1.6
225.00087	1.3
304.61707	1.4
353.08765	7.8
383.09818	13.2
401.21826	2.3
420.43372	1.5
505.13541	82.1
505.35034	2.1
506.13730	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.88267	1.1
61.98823	4.3
63.00378	1.0
69.10457	2.5
69.10857	4.8
71.01385	13.3
71.35916	1.0
73.02949	15.3
75.80362	1.1
76.36631	1.2
79.95528	1.1
83.01382	3.6
83.75512	1.2
85.02946	3.4
89.02454	2.8
91.51885	1.2
93.03461	28.2
101.02431	12.4
105.01953	3.1
113.02448	5.4
119.03544	1.3
125.02418	7.1
130.50110	1.2
137.02444	75.8
137.06131	1.2
143.03519	1.6
149.04544	1.4
161.02402	1.4
161.04591	3.3
203.05647	2.9
223.09787	1.5
223.13385	2.4
262.62396	1.3
270.84143	1.3
281.06781	6.8
361.91272	1.4
505.16830	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	505.1564
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
51.55565	0.4
53.20910	0.4
56.86076	0.4
57.03432	1.1
59.01379	0.9
70.42448	0.6
70.42773	0.5
71.01385	0.6
95.05028	13.1
96.96021	0.4
104.43746	0.4
116.31927	0.4
119.05032	1.3
121.02950	0.5
122.03713	0.6
123.37315	0.4
135.04504	0.8
137.06085	100.0
138.06438	1.3
141.19360	0.4
153.05630	0.5
169.01381	0.5
181.05067	36.6
182.05429	0.8
197.04671	0.7
284.00906	0.4
343.10339	32.6
344.10739	0.9
381.05106	0.4
426.57858	0.5
462.07849	0.4
505.15665	31.7
506.16168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93011	2.7
59.01379	79.6
59.71579	2.1
69.03443	6.0
70.16177	3.9
70.16528	4.1
71.01380	73.2
73.02934	8.2
74.91164	2.2
75.98656	2.4
81.03448	3.0
82.11969	2.5
83.01375	3.8
85.02972	12.2
85.03455	2.2
89.02446	83.9
91.01904	11.6
92.02657	3.6
93.03443	7.4
97.02928	6.7
101.02469	14.2
113.02411	6.9
119.01409	3.4
119.03490	3.8
121.02947	8.7
125.02449	29.9
131.03513	21.0
137.02429	8.9
149.04553	35.8
151.04004	100.0
191.05591	10.9
203.88409	2.6
233.06609	4.9
240.21402	2.5
251.00996	3.0
293.08780	60.9
297.56192	2.4
313.26147	3.0
397.10724	2.5
413.10989	5.3
467.11526	3.5
490.78284	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	505.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.8
61.98827	1.0
69.87041	0.5
69.87373	0.8
71.01376	5.2
73.02940	6.0
76.43140	0.4
82.95429	2.5
83.01355	0.5
85.02945	2.2
86.00095	0.5
87.00865	2.9
87.04484	0.9
88.98814	0.6
89.00317	1.2
89.02438	2.8
96.96011	1.0
97.02954	0.6
98.22565	0.6
99.00866	0.5
101.02454	3.8
103.03985	1.1
106.00598	1.6
109.02957	0.4
111.00875	0.8
112.98802	0.6
113.02454	0.6
115.04021	2.7
116.92856	1.4
119.03457	1.2
121.02953	28.1
122.89343	0.4
123.00914	2.0
124.01669	0.5
125.02463	2.6
127.00350	0.5
131.03493	2.2
136.98824	0.6
137.02417	1.7
138.03238	3.9
139.00372	0.9
139.04004	2.1
142.06854	0.5
143.03506	2.2
145.05043	0.6
153.05566	26.3
161.04498	0.9
163.03964	0.7
163.06186	0.6
165.01884	0.5
169.01387	1.7
181.01414	2.1
182.02182	3.3
189.66605	0.4
195.06662	0.5
196.03734	1.8
197.04538	100.0
198.04893	1.4
205.07152	1.8
211.06140	1.1
223.13457	1.0
224.03255	1.0
239.05591	8.6
261.00928	0.5
372.19257	0.4
445.13580	0.8
445.20795	0.9
461.20459	0.8
505.15692	2.8
505.24078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17128	0.3
55.01854	0.5
56.17104	0.3
59.01375	6.1
61.98819	0.6
62.19601	0.3
68.99803	0.4
69.03463	0.4
69.79662	0.9
71.01374	1.8
73.02956	2.0
73.03293	0.3
73.94002	0.3
83.01364	1.9
85.02943	1.2
87.00864	0.9
89.02447	1.5
89.21194	0.3
95.01378	0.8
97.02934	0.5
98.21925	0.6
99.00880	0.5
101.02445	2.7
102.70222	0.3
103.04000	1.3
109.02930	0.6
109.23157	0.3
111.00896	2.8
112.98795	0.7
113.11923	0.3
115.04023	0.5
119.03507	0.5
123.00880	10.6
124.01678	0.6
125.02428	2.8
125.99574	0.4
127.00353	3.6
131.03448	0.6
136.98796	2.7
137.02449	1.5
138.03224	16.3
138.05580	5.7
139.00389	2.3
139.04012	5.6
141.01944	1.1
143.03499	0.5
151.03998	1.1
153.01952	0.9
153.05562	31.2
154.02702	1.1
154.05855	0.4
163.06100	1.7
166.99875	2.9
181.01427	2.9
182.02203	19.4
196.03749	6.1
197.04536	100.0
198.04875	2.0
200.35120	0.3
205.07182	1.1
211.05978	1.7
224.03267	1.8
239.05606	6.3
247.08322	0.5
283.15707	0.4
307.10324	0.5
346.06769	0.3
378.25128	0.3
446.16757	2.1
505.15735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.1
59.01377	79.4
61.86229	2.1
61.98832	28.9
69.03445	2.3
69.37215	7.6
71.01383	39.0
73.02937	19.4
81.03432	3.8
83.01379	5.0
85.02962	11.2
89.02441	36.1
91.01875	9.0
92.02680	2.5
93.03457	12.7
93.15627	2.1
96.95992	2.6
97.02948	6.9
98.21841	4.6
101.02444	29.2
103.04012	29.8
106.55891	2.0
106.61637	2.0
109.02959	18.3
110.03262	6.3
119.01379	5.3
119.03499	15.4
121.02972	14.1
124.01634	4.1
125.02439	70.4
126.02753	9.0
131.03456	4.0
133.86928	2.3
137.02426	12.6
145.05075	7.2
149.04494	5.0
151.04001	100.0
153.01923	55.6
154.02301	18.5
161.02429	11.7
162.02786	7.7
163.06119	32.0
177.05457	2.5
247.08173	7.8
270.05035	3.0
287.05502	3.6
288.05978	5.4
289.09177	2.3
293.08765	9.0
306.06747	3.3
307.10355	26.1
427.12427	4.1
442.08368	6.9
467.11917	5.5
492.94498	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	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22110	1.6
57.03445	2.2
59.01374	82.7
61.98838	7.6
63.24157	1.5
69.24794	7.7
71.01379	67.5
73.02945	29.7
83.01389	5.7
85.02946	15.9
88.98811	2.1
89.02441	88.8
95.01398	2.8
97.02917	2.7
99.00876	25.6
101.02443	51.5
113.02452	19.4
115.03973	1.6
119.03501	3.6
125.02432	7.6
131.03508	13.8
133.42645	1.7
143.03555	2.1
149.04547	63.2
159.03001	2.2
161.04520	15.7
183.65257	1.4
184.96284	1.6
191.05591	14.0
221.06653	6.8
241.28606	1.6
251.07716	8.5
293.08716	2.7
299.09357	4.5
311.09723	4.6
313.16537	25.3
325.07092	10.1
380.76706	1.5
406.18008	1.9
445.20743	100.0
446.20901	4.4
505.26712	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	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03453	1.1
57.80477	1.0
59.01376	100.0
61.98823	1.1
69.24497	3.6
69.24886	2.0
69.89279	1.2
71.01379	43.5
72.82449	1.2
73.02937	9.0
83.01387	4.2
85.02951	11.7
87.59412	1.0
89.02443	49.8
95.01392	1.3
97.02935	1.3
98.68449	1.1
99.00864	5.8
101.02439	38.2
113.02444	15.1
119.03493	4.5
123.04533	1.4
125.02431	2.7
128.56926	1.1
129.01950	2.5
131.03505	46.9
143.03493	1.6
149.04547	44.4
159.03000	3.5
161.04550	13.0
179.05580	1.3
182.80600	1.1
191.05605	25.1
221.06580	2.1
251.07700	3.3
275.68155	1.0
311.10007	2.8
313.16537	40.2
313.20172	2.1
429.43631	1.2
445.20685	28.6
461.23721	1.1
467.15076	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	505.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95433	2.2
59.36559	1.7
62.70051	1.9
70.32936	4.2
71.05009	2.9
76.45320	1.9
78.95921	2.8
81.03452	2.6
85.02969	2.3
90.16156	2.0
95.01395	10.2
96.96014	10.9
99.00878	3.4
99.04510	3.8
100.62621	2.2
109.02944	4.7
110.00120	3.0
111.00890	4.2
118.27289	2.1
121.02962	2.3
123.00886	56.4
124.01643	8.9
137.02429	17.4
139.00336	2.9
145.26959	2.1
149.02423	3.5
150.03137	2.2
151.00360	8.0
152.01158	8.1
152.99490	2.1
165.01941	25.0
176.25337	2.0
179.03558	5.5
179.07083	3.5
211.13403	2.4
219.17366	1.9
221.08183	2.7
234.02718	2.0
235.13361	2.0
249.14862	2.1
254.34433	1.9
263.12830	3.5
266.93192	2.0
273.22256	3.5
277.14426	2.5
291.16168	4.3
291.19467	2.4
305.17545	3.6
315.23392	4.6
316.20175	2.7
317.21167	3.5
325.29095	4.0
331.22696	15.6
333.20743	7.2
341.21054	3.6
343.22623	4.1
358.21313	3.7
359.22339	12.8
369.20779	5.7
371.22440	3.0
373.23856	3.9
375.21848	6.2
385.23874	10.0
387.21747	10.0
397.20181	2.9
401.23257	14.0
402.24161	3.7
403.21182	6.4
413.19760	3.4
414.20453	9.7
418.23782	2.2
429.22757	22.6
431.20743	8.9
431.31583	3.7
433.25848	11.0
441.18945	4.5
443.35782	3.0
446.23172	3.9
448.43713	2.2
455.20932	2.7
461.19342	3.7
461.25482	44.6
469.25974	2.1
469.33307	3.1
473.21747	25.1
487.34204	2.4
505.24429	100.0
505.35358	50.6
506.24921	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	505.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01378	12.3
69.10026	2.5
69.10426	6.5
70.38203	1.1
71.01379	11.2
72.99312	5.2
73.02965	1.4
74.89303	1.2
75.00866	13.8
78.95928	1.9
83.01393	1.2
85.02949	15.2
86.88860	1.2
87.00877	4.0
89.02464	1.4
95.01404	4.7
96.95994	11.7
96.99324	1.8
97.00780	1.0
98.21806	2.7
99.00894	6.7
101.97155	1.2
103.00377	1.2
103.64836	1.3
111.00892	2.7
111.41389	1.3
112.98820	1.7
113.02451	19.7
115.00362	1.8
117.01955	2.1
121.03016	1.3
122.03746	4.5
123.04524	21.1
125.02472	2.2
129.01952	3.6
135.04521	3.4
136.05359	4.5
137.02510	3.7
137.37350	1.1
138.03265	9.1
139.04041	5.8
149.06081	10.7
150.03244	3.3
151.04007	23.1
152.04828	3.4
152.99634	1.9
163.04045	1.5
163.07733	1.9
164.04831	5.5
165.05554	8.6
175.02531	3.3
177.05696	1.6
178.06369	1.6
179.07092	2.7
200.05692	1.2
205.08691	1.4
207.10283	2.3
221.11707	1.4
227.03236	1.5
231.05186	1.5
249.06122	11.8
255.23294	76.9
261.18576	1.8
267.07169	2.1
275.16602	1.3
276.17435	1.5
289.18246	1.8
289.21643	1.7
301.21915	1.7
303.19684	2.2
303.23056	2.3
313.21674	2.6
315.23431	2.8
318.21899	6.2
329.21069	2.3
331.22900	5.1
332.23737	1.6
333.24332	2.2
343.22702	1.8
347.25864	7.9
357.20813	3.2
359.25919	8.7
361.23874	1.4
367.22708	1.3
369.24484	2.7
370.25098	12.5
371.22159	2.0
372.22864	1.5
375.25403	27.4
376.25815	1.6
378.24158	2.0
385.27612	6.3
386.24701	6.2
387.25430	42.5
387.30292	2.6
388.26132	1.4
389.23126	2.4
390.27655	3.1
393.26483	3.3
401.27002	2.8
402.28021	6.5
403.24823	8.6
404.25385	1.6
407.28021	1.4
411.25287	2.4
413.23495	4.4
414.24109	71.7
415.24850	4.6
416.25775	1.9
417.30405	4.2
418.27301	12.8
419.27945	11.6
428.25864	4.3
429.26440	100.0
430.26965	4.4
431.24405	4.8
433.29501	6.7
443.28067	15.2
446.26801	19.1
447.34903	1.8
455.25018	1.8
461.29025	29.1
487.28339	5.2
487.37881	2.0
505.29840	98.8
505.38718	3.9
506.30356	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	505.3016
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03444	2.0
59.01375	13.1
61.65762	0.8
61.98849	0.8
71.01382	12.8
72.99297	3.4
73.02963	1.3
75.00865	15.0
78.95914	1.1
85.02943	14.4
87.00863	5.4
89.02443	3.8
94.31871	0.7
95.01374	3.9
98.22652	2.3
99.00870	8.4
103.00360	2.5
110.01006	0.8
113.02444	18.5
115.00379	1.9
117.01966	2.5
118.27116	0.7
129.01927	1.5
175.02469	3.1
182.59830	1.0
231.05176	1.4
249.06151	13.3
255.23282	82.4
256.23721	2.5
267.07257	2.3
487.28937	2.9
487.38019	1.8
505.30225	100.0
505.38409	6.1
506.29993	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	505.3166
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
53.78425	0.7
57.01964	0.6
57.92330	0.6
68.74806	0.6
68.99567	4.1
69.57087	1.3
69.57463	2.0
95.01398	1.4
98.21883	0.7
112.98569	6.2
123.00888	11.4
124.01704	1.5
135.04503	0.8
137.02426	1.8
149.02446	12.3
149.06075	1.4
152.01132	1.1
162.83855	3.2
163.04005	3.6
164.83627	0.7
165.01888	0.8
177.01930	1.2
177.05515	2.1
205.08759	0.8
253.61653	0.7
262.21213	0.6
265.18118	3.4
293.17587	17.4
319.19073	2.4
399.28766	1.4
415.28580	1.8
433.29605	8.8
443.27917	2.2
450.36090	0.7
461.29068	40.3
462.29791	1.2
469.29877	0.7
496.74811	0.6
505.31705	100.0
506.32230	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	505.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58425	0.4
55.01873	3.5
57.03446	2.7
59.01380	20.7
61.98819	0.8
62.95383	0.5
63.62309	0.5
69.03445	0.8
71.01379	28.4
72.99326	0.8
73.02943	15.0
74.02423	0.5
75.00863	0.8
77.88274	0.4
83.01390	7.6
83.01865	0.4
85.02950	19.1
85.06590	0.4
86.00075	0.6
87.00869	1.4
89.02444	1.8
95.01389	3.4
97.02941	1.0
98.56392	0.5
99.00878	4.1
101.02442	27.5
111.00895	3.7
113.02451	11.8
125.02457	0.8
129.01987	1.1
131.03584	0.5
141.01834	0.7
143.03505	0.8
145.75684	0.5
159.02980	3.7
161.04567	8.5
162.51096	0.5
197.15520	0.5
209.11919	0.6
279.23547	0.8
297.24319	3.9
309.24026	0.4
320.54050	0.5
343.28494	9.7
409.87228	0.5
446.36359	0.5
505.33887	100.0
506.34103	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	505.3535
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
55.44254	1.7
57.03443	2.2
59.01366	1.7
61.98831	2.6
71.01405	2.0
71.05031	8.7
78.95884	2.9
81.03454	3.3
85.06582	4.9
95.01390	7.6
96.96023	7.6
97.06585	2.5
98.22670	4.6
99.04504	6.9
109.02952	2.0
111.00865	2.9
123.00884	36.8
123.08251	2.1
124.01695	9.2
137.02431	11.4
139.00406	2.7
141.09218	4.5
143.10789	2.9
151.00346	3.7
151.07568	2.1
152.01144	5.0
165.01938	13.4
165.05522	3.4
174.90556	1.7
175.03990	1.9
179.03500	2.7
239.47043	1.7
241.18013	1.8
249.22246	3.0
271.93036	2.0
275.23724	3.0
287.23853	2.1
289.21841	1.9
289.25256	2.6
291.16129	3.2
291.27115	2.2
293.20920	2.5
301.25000	2.6
305.21237	5.9
309.25803	5.0
313.18140	2.2
315.23117	4.0
317.21091	2.5
325.29126	9.2
331.22717	9.3
333.20639	4.1
341.21127	2.0
343.22821	2.0
343.29959	2.2
345.24478	3.5
359.22345	11.1
369.20557	2.0
370.21265	2.1
373.23807	3.4
375.21655	5.8
385.23694	6.5
386.20862	2.5
387.21725	5.3
397.20529	2.8
401.23306	6.0
402.24246	2.9
403.21091	4.4
413.19510	2.9
414.20273	6.5
418.23276	2.3
429.22870	12.5
431.20612	4.7
431.31836	5.8
433.25964	6.6
441.18823	3.9
443.35379	9.2
459.34842	2.2
461.25381	28.1
469.33215	5.3
473.21643	13.1
487.34470	3.0
505.24393	59.2
505.35349	100.0
506.35394	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	505.3532
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03424	1.4
59.01360	1.2
61.98802	0.5
69.03465	0.7
69.15898	0.5
70.06585	0.5
70.66499	0.8
71.05021	9.0
78.95899	6.8
81.03443	3.2
83.05014	1.2
84.02153	1.1
96.95982	1.2
96.96980	0.6
97.06559	1.2
98.03720	2.4
99.04513	8.8
99.32729	0.5
101.06118	0.6
105.56963	0.6
113.02443	0.9
116.92852	0.5
123.04563	0.7
123.08154	2.4
125.09708	0.8
137.09744	0.8
141.09196	4.0
141.86073	0.5
143.10796	5.0
152.99582	9.8
153.12828	0.6
155.10686	0.6
160.84239	0.9
162.83865	0.8
171.00656	0.6
179.10811	0.7
185.13367	0.9
188.76299	0.6
211.13309	0.7
219.17461	1.1
227.03273	1.1
227.12752	0.6
239.16579	1.5
245.04417	0.8
245.19125	1.6
247.20724	0.6
249.22275	2.5
255.12346	0.7
257.13913	1.2
257.19055	0.6
263.23718	1.3
265.21753	0.6
273.22235	2.7
275.23798	7.5
277.21713	16.4
278.22217	0.7
287.23770	1.0
301.25470	0.8
305.21265	2.0
306.22116	1.1
309.25885	4.0
319.22668	0.9
325.28973	5.9
343.29996	3.4
364.17957	0.6
369.27872	1.0
387.29010	0.7
409.34442	1.1
413.30606	1.1
417.33786	0.6
425.34167	2.4
431.22125	1.1
443.35449	5.5
444.07443	0.6
459.34738	7.0
461.30414	0.6
461.36243	2.2
469.33447	0.6
487.27991	0.6
487.34387	2.0
505.25989	10.4
505.35327	100.0
506.35715	4.6
533.92737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07916	0.9
59.01371	6.4
61.98828	100.0
69.31126	4.5
71.01384	1.7
73.02945	1.4
88.98792	1.3
89.02451	1.9
96.96030	1.2
97.02906	1.0
101.02459	2.0
108.02158	5.6
109.02955	1.2
113.02443	1.4
120.05371	1.5
123.00881	1.3
123.04498	2.1
124.01673	4.0
125.02428	10.9
134.03755	1.0
137.02470	2.3
150.03337	0.9
155.67192	1.0
161.02422	3.9
177.02007	1.0
184.01657	0.9
192.00635	8.0
193.01425	2.6
202.84576	1.2
205.14021	0.9
207.02957	4.7
219.13837	1.3
235.13518	4.4
245.11861	3.4
263.12897	15.0
280.13095	1.1
281.13916	41.7
287.05759	2.7
326.07401	1.5
330.03845	1.5
345.06137	1.2
443.19199	48.3
444.19342	1.7
446.21140	2.4
506.27505	1.4
507.11420	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.2
61.35693	0.6
61.98837	3.0
66.28654	0.6
69.24887	3.3
69.58108	0.6
71.01376	2.6
73.02946	2.6
74.03288	0.6
83.01385	0.9
85.02951	1.5
87.00883	0.7
89.02437	2.4
95.01431	0.6
101.02430	3.1
103.04016	3.1
111.00853	1.2
113.02444	0.7
119.03490	1.8
123.00887	5.0
123.03260	6.6
124.01244	1.8
125.02476	3.5
127.00375	1.2
128.00760	0.6
130.08731	2.3
136.98843	0.8
137.02411	0.9
138.01993	2.0
138.03250	6.8
138.05608	100.0
139.00369	1.0
139.03564	2.9
139.05978	1.0
140.04324	1.0
143.03539	1.1
145.05093	0.7
153.02010	0.6
153.05579	12.7
154.02679	0.8
154.05907	6.3
163.06146	2.7
172.09775	1.8
180.06651	1.4
182.02176	6.6
183.02522	4.7
196.03789	1.6
197.04541	36.7
198.04884	25.1
211.06021	1.0
239.05630	2.4
240.06062	1.9
307.10321	2.1
446.16663	38.1
447.16885	1.7
506.16364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07916	0.9
59.01371	6.4
61.98828	100.0
69.31126	4.5
71.01384	1.7
73.02945	1.4
88.98792	1.3
89.02451	1.9
96.96030	1.2
97.02906	1.0
101.02459	2.0
108.02158	5.6
109.02955	1.2
113.02443	1.4
120.05371	1.5
123.00881	1.3
123.04498	2.1
124.01673	4.0
125.02428	10.9
134.03755	1.0
137.02470	2.3
150.03337	0.9
155.67192	1.0
161.02422	3.9
177.02007	1.0
184.01657	0.9
192.00635	8.0
193.01425	2.6
202.84576	1.2
205.14021	0.9
207.02957	4.7
219.13837	1.3
235.13518	4.4
245.11861	3.4
263.12897	15.0
280.13095	1.1
281.13916	41.7
287.05759	2.7
326.07401	1.5
330.03845	1.5
345.06137	1.2
443.19199	48.3
444.19342	1.7
446.21140	2.4
506.27505	1.4
507.11420	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	506.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03441	1.5
59.01075	1.6
59.01376	33.8
61.98818	3.2
71.01377	34.6
72.99306	1.1
73.02945	11.3
78.91869	0.8
83.01379	3.6
85.02952	11.0
87.00866	1.4
88.98820	1.1
89.02437	31.1
95.01398	1.8
96.96011	2.6
97.02939	2.3
99.00871	7.4
101.02441	27.2
113.02441	10.3
115.04019	1.7
119.03510	4.5
125.02452	5.6
130.56358	0.9
131.03485	6.4
143.03491	2.1
149.04561	12.6
153.01938	1.1
159.02971	2.4
161.04547	11.9
179.05696	1.1
191.05663	3.3
192.00645	1.1
207.02946	1.0
233.06668	2.1
242.02184	2.1
258.01794	1.5
265.14493	1.1
270.01984	1.0
273.04022	2.7
286.01147	1.3
287.93549	0.9
293.08875	2.2
301.03595	2.3
311.09634	1.2
315.04968	0.9
329.02835	1.2
331.17621	37.1
344.05222	4.2
345.05966	2.1
463.21854	100.0
464.22180	3.9
506.21161	3.7
507.11224	9.4
507.27866	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	506.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	28.0
61.98828	3.6
69.37766	4.3
69.41081	1.0
71.01374	15.3
73.02943	10.2
81.03462	1.0
82.89333	1.2
85.02947	5.5
85.55099	1.1
87.00868	3.0
89.02448	12.5
97.02930	2.1
101.02437	17.9
103.04008	12.8
109.35509	1.0
119.03501	7.3
125.02438	12.3
127.04024	1.2
143.03476	2.1
145.05014	2.0
153.01956	1.4
155.10771	100.0
156.11082	1.4
157.69705	1.0
163.06114	22.9
163.18420	1.0
167.03471	1.1
205.07153	3.8
211.24977	0.9
216.85077	1.1
247.08153	3.1
307.10330	19.7
340.68655	1.3
360.60278	1.1
385.76852	1.1
447.22632	1.7
463.21695	6.9
506.17361	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	506.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46193	1.0
55.01864	2.0
57.03436	3.3
59.01381	23.8
61.98833	10.2
64.90271	0.9
69.03480	1.1
71.01382	37.6
72.99281	1.2
73.02942	17.1
78.91885	1.3
78.95897	4.1
80.70161	0.9
83.01375	5.1
85.02945	14.7
87.00863	1.9
88.98798	4.1
89.02441	17.3
90.02779	1.4
91.83272	1.0
95.01378	2.7
95.05007	1.4
96.96908	1.7
97.02936	1.6
98.22691	1.7
99.00894	8.7
101.02443	32.1
105.03468	1.2
109.02918	1.9
111.00861	1.6
113.02449	15.0
121.83887	1.0
123.04527	2.8
125.02441	19.3
131.03450	2.5
137.02400	1.2
143.03510	1.6
149.04544	5.6
150.04883	1.6
151.07645	11.3
153.01956	2.1
159.02989	3.8
161.02516	6.6
161.04550	17.0
167.03517	5.2
183.02850	1.4
191.05580	1.5
195.06647	1.6
224.48315	1.2
233.06631	2.0
269.04520	1.6
287.05533	2.9
311.07645	5.9
331.17599	20.8
343.07883	1.2
357.12070	1.1
394.67340	1.8
407.28717	1.1
463.21854	100.0
464.21954	3.6
475.43561	1.1
506.16510	1.8
506.26337	3.2
507.15170	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	506.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92966	0.5
55.01875	1.2
57.03445	1.2
59.01379	9.8
70.26199	1.3
71.01380	21.6
72.99312	0.6
73.02944	11.5
73.66393	0.5
83.01388	3.6
85.02953	10.4
85.93811	0.6
89.02442	5.2
95.01388	1.5
97.02969	1.2
99.00867	4.5
101.02444	20.2
111.00876	0.6
113.02438	9.9
115.04034	0.9
123.04514	0.6
125.02489	2.7
126.03638	0.5
129.01877	0.5
131.03485	1.3
139.32782	0.6
143.03488	0.9
151.04005	1.2
159.03021	2.8
161.04564	13.6
233.06694	1.3
270.24881	0.6
293.08783	1.2
294.09177	0.6
331.13785	0.9
331.17627	11.8
463.21841	100.0
464.22275	4.1
527.95044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03440	2.3
59.01373	23.8
61.63820	1.5
61.98837	4.0
69.20773	8.3
71.01382	38.0
73.02946	12.8
77.30065	1.5
83.01392	5.9
83.17795	1.8
85.02947	19.2
88.04047	6.0
89.02442	8.8
95.01405	3.9
99.00887	4.6
101.02441	35.6
109.03033	1.5
113.02451	21.1
125.02453	13.0
131.03519	18.2
146.08281	3.9
159.03021	4.4
161.02444	3.1
161.04558	28.3
162.04890	1.8
177.47597	1.6
179.05482	2.7
218.10315	13.6
221.06819	1.9
238.26253	1.7
251.69492	1.4
269.04706	2.1
305.06754	3.5
331.17584	100.0
332.18158	2.4
408.88867	1.7
462.20819	8.6
463.21844	80.0
464.22098	3.7
506.21463	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	506.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36950	0.6
58.84083	0.6
61.98828	100.0
63.76742	0.7
64.64624	0.6
71.42701	0.7
84.22993	0.6
96.95971	0.6
106.45060	0.6
121.02934	1.2
142.41031	0.6
167.03644	0.6
183.89890	0.7
367.18842	0.7
385.20786	0.6
399.25006	1.1
443.24432	11.3
506.23831	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	507.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71401	0.7
57.03445	12.7
59.01376	19.0
69.31110	1.6
69.31492	1.5
71.01382	11.7
81.03426	1.0
83.01394	3.5
85.02953	2.7
87.00845	0.6
89.02435	12.4
89.02942	1.1
95.05028	1.9
98.21912	0.9
101.02448	2.4
105.03465	4.5
108.02202	2.2
108.68902	0.6
109.02934	2.0
113.02452	2.1
119.03466	0.6
119.40895	0.6
123.00898	0.9
123.04486	0.8
124.01647	5.4
125.02441	100.0
126.02788	1.2
131.03513	1.4
133.02914	1.0
136.01656	23.5
137.02432	5.5
139.04007	1.2
146.03783	0.8
147.04504	0.7
149.02495	0.8
149.04546	2.7
151.03998	34.4
159.04561	1.6
160.01683	0.7
160.05283	5.0
161.02437	44.4
162.02922	0.8
165.01947	1.0
168.00642	7.0
170.14160	0.9
175.04012	1.2
175.07660	5.9
177.05586	2.9
183.02985	20.8
183.04314	0.8
183.10168	1.2
192.00638	0.8
201.01903	0.7
201.05569	1.8
219.06624	0.7
221.08330	1.0
225.05371	0.8
227.03535	1.1
227.77000	0.7
229.01457	0.9
243.06575	1.8
263.07169	2.5
269.04538	5.7
278.09521	1.8
279.06717	3.6
279.09637	0.6
287.05597	30.4
288.06146	0.9
294.09006	3.4
297.11307	1.0
305.06570	2.8
309.11356	5.4
312.09988	1.5
320.79630	0.6
323.09363	1.0
327.12350	21.4
333.06177	1.1
339.12521	5.5
341.10831	2.4
345.06155	0.7
345.13327	1.8
357.13419	1.3
371.03198	0.7
471.09140	4.8
507.20599	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	507.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.1
59.01375	6.7
61.98830	1.0
69.77713	1.6
71.01377	1.5
75.49304	0.8
76.28173	0.9
81.03448	2.1
83.01383	2.4
88.98772	1.0
89.02439	2.3
97.02959	0.9
105.03462	2.7
107.01375	1.3
109.02992	1.4
111.00928	0.9
111.04543	1.0
113.02446	0.9
120.47595	0.8
121.02927	1.3
124.01662	15.7
125.02441	100.0
126.02813	0.9
135.04465	0.8
137.02460	5.3
139.04010	9.0
149.02504	1.2
151.04015	1.8
161.02438	39.8
161.06007	1.7
164.01050	1.0
165.01926	3.2
167.03488	3.6
168.00633	25.1
177.05562	3.8
179.03479	2.5
183.02974	89.4
184.03311	1.0
192.00610	1.7
201.05583	1.6
205.06921	1.0
207.02986	1.3
219.06627	2.3
225.05470	1.1
227.03423	1.2
229.01297	0.9
243.06641	0.9
269.04526	2.9
287.05594	19.4
305.06595	15.4
315.12286	2.9
417.11713	1.1
471.09467	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15832	0.7
51.36606	0.7
57.03447	13.7
59.01379	6.6
61.98826	1.6
66.67794	0.7
71.01368	5.0
71.28877	0.6
72.99293	1.1
73.02946	1.7
79.05518	0.8
80.91676	3.1
81.03474	1.4
83.01369	3.8
85.02964	1.3
88.96239	0.7
88.98807	1.3
89.02438	2.3
95.05022	6.3
97.02924	0.8
101.02440	3.2
105.03465	4.5
109.02950	1.7
113.02426	1.7
123.04524	23.6
124.01673	3.3
125.02444	100.0
126.02785	1.7
133.02939	1.2
133.06639	0.8
137.02454	6.2
139.04024	1.3
149.02415	1.4
151.04042	2.7
151.07635	25.9
153.01932	2.1
161.02440	43.4
162.02983	1.2
165.01924	0.8
167.03491	47.7
168.00616	6.4
173.75180	0.7
177.01985	2.6
177.05585	4.1
183.02983	14.8
183.04514	1.2
191.03558	2.2
192.00708	1.3
195.06609	2.2
197.06171	1.0
199.04024	0.9
201.05576	2.4
207.03084	0.7
209.04503	1.6
219.06682	1.3
227.03383	1.3
229.01285	1.2
241.05061	0.8
243.06523	1.2
269.04459	4.4
287.05588	30.3
293.96295	0.8
305.06589	0.9
311.07727	2.6
315.08768	1.6
327.08743	3.0
331.17493	0.9
339.11029	1.1
345.09659	1.1
463.21970	1.6
464.22064	2.2
469.81992	0.7
471.09274	6.2
507.15030	42.4
508.15213	2.0
527.11774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91962	0.6
59.01382	5.5
60.56937	0.6
65.26865	0.6
71.01374	4.3
73.02946	1.5
76.78710	0.6
80.91669	2.5
83.01350	0.7
85.02949	1.8
87.00872	2.0
89.02438	2.1
93.03438	1.0
98.22590	1.7
101.02444	2.4
102.88013	0.6
107.01372	1.2
108.02138	0.8
109.02940	1.5
113.02472	1.7
123.04494	0.9
124.01619	0.7
125.02443	1.6
137.02432	2.3
149.02560	0.7
151.00357	2.9
151.04042	0.7
153.01901	2.2
161.04541	1.2
163.00418	0.7
163.07635	2.3
174.03247	1.0
178.99792	1.4
179.03455	0.8
181.08693	1.0
189.48050	0.7
192.00716	1.6
194.09953	0.6
202.02689	1.8
207.06567	1.3
213.01851	1.9
215.03520	0.8
225.07674	6.7
230.02213	5.0
235.68861	0.6
241.01421	10.1
242.02197	22.1
243.02927	4.0
257.00772	1.5
258.01669	17.8
259.01923	0.7
269.00977	3.0
270.01712	8.5
271.02371	3.4
272.03214	3.9
273.04034	27.2
274.04239	1.2
281.06671	1.5
285.00507	0.8
286.01199	14.0
287.02057	1.6
287.05569	4.5
300.02780	3.8
301.03531	24.8
314.00644	1.3
315.01450	3.8
315.05118	3.2
316.05850	10.4
317.06216	1.0
328.93094	0.6
328.99356	1.0
329.03015	12.0
330.03867	3.9
332.17923	0.9
344.05353	40.7
345.06061	9.9
387.07220	1.2
422.66632	0.7
447.09198	4.2
463.21860	1.6
464.22116	5.9
507.11343	100.0
507.26837	3.3
508.11642	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70093	0.2
58.20443	0.2
59.01368	0.9
59.25302	0.2
61.98845	0.3
67.05551	0.2
69.50005	0.8
71.01384	0.3
72.49439	0.3
79.65921	0.2
90.42221	0.2
93.03447	0.4
95.01409	0.3
105.03470	0.3
108.02193	0.8
121.02950	1.0
123.00867	0.7
123.04527	0.3
124.01662	0.4
125.02441	1.3
133.02942	0.5
136.01656	2.7
137.02458	1.7
138.03189	1.0
139.00311	0.3
148.01700	0.2
149.02449	0.3
149.99677	0.2
150.03198	0.2
151.04045	0.3
152.01103	0.3
153.05482	0.5
161.02449	1.7
162.03189	1.4
163.00351	0.5
163.03912	0.3
164.01138	9.5
165.01816	0.5
166.02647	0.9
166.99887	0.5
168.00562	0.3
177.01897	0.9
178.02699	0.4
178.99849	2.8
180.04153	0.2
181.01434	1.0
182.02216	1.1
183.02959	0.6
189.01939	0.7
190.02707	2.4
190.99915	0.2
191.03435	0.3
192.00636	100.0
193.01329	7.4
194.02162	3.7
196.03687	0.6
197.04524	1.6
204.83435	0.3
205.01425	2.0
206.02155	2.1
207.02972	64.1
208.03299	1.5
209.04597	0.2
219.02994	0.3
221.00830	1.0
222.01653	1.2
224.03268	0.7
225.03947	0.5
233.00780	0.3
234.01677	7.1
235.02391	0.5
237.03964	0.9
239.05637	2.0
249.03998	4.8
284.05429	0.3
294.03912	0.4
299.07721	8.4
309.06076	0.9
312.04822	0.7
327.07034	0.6
329.02859	0.6
345.06229	0.6
345.25836	0.2
459.30029	0.2
492.08957	0.9
507.11411	6.4
507.28079	0.6
508.11554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01385	5.3
66.91700	0.6
69.72691	2.3
70.70831	0.6
71.01373	4.9
73.02950	0.9
74.31864	0.7
80.91670	2.1
83.01395	0.6
85.02932	1.2
87.00870	1.7
89.02407	1.5
93.03481	0.7
97.02898	0.8
99.00866	1.1
101.02421	1.7
108.02145	1.2
109.02925	1.1
111.00834	0.9
113.02441	1.8
115.83828	0.6
121.02974	0.6
122.03763	0.7
125.02413	2.5
130.39781	0.6
137.02422	2.8
151.00334	2.4
153.01929	1.8
161.04597	0.7
163.07631	3.1
165.01991	0.9
169.01358	0.9
174.03174	0.9
178.99858	1.0
191.03307	0.7
192.00610	1.4
202.02686	1.5
207.06570	2.5
213.01901	2.2
214.02672	1.3
225.07655	5.1
230.02188	2.8
239.87752	0.7
241.01425	9.9
242.02182	21.8
243.03004	4.2
255.02977	1.1
257.00906	1.8
258.01651	22.5
259.02344	0.6
263.14001	0.7
269.00790	2.7
270.01639	8.2
271.02588	4.2
272.03214	4.7
273.04010	27.5
281.06580	1.8
286.01163	13.2
287.01776	2.2
287.05536	5.4
299.01913	1.1
300.02719	3.7
301.03506	24.2
302.03751	1.1
314.00555	1.1
315.01370	4.3
315.05045	2.9
316.05875	8.1
329.02997	12.3
330.03802	3.8
331.17505	1.6
344.05338	41.4
345.06046	10.0
387.06952	1.3
447.09216	5.1
463.21918	2.5
464.22095	6.2
507.11325	100.0
508.11816	5.0
522.94983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.4
57.03422	0.6
59.01071	0.4
59.01379	12.2
61.98829	14.2
69.15543	1.1
69.15958	0.6
69.60726	0.3
71.01009	0.4
71.01378	4.8
71.11113	0.2
73.02936	1.0
77.71030	0.3
80.34114	0.3
83.01350	0.4
85.02940	1.7
88.98826	0.6
89.02438	5.8
95.01383	0.6
99.00874	0.8
101.02433	3.4
108.02164	0.6
109.02923	0.6
111.00890	0.4
113.02426	2.0
118.63629	0.3
119.03493	0.8
121.02938	0.5
125.02444	2.2
131.03511	5.7
133.02997	0.4
136.01648	2.0
137.02448	1.1
138.03198	0.9
143.03479	0.3
145.03009	0.5
148.01794	0.4
149.02434	1.0
149.04524	3.1
150.03220	0.4
151.03957	0.4
151.05072	0.3
153.01935	1.0
153.05577	0.9
156.38652	0.3
161.02477	2.3
161.04601	1.5
161.05812	0.4
162.03209	1.1
162.77489	0.3
163.03987	0.4
164.01155	8.6
165.01924	1.3
166.02686	0.4
167.03673	0.2
177.01907	0.5
178.99812	1.9
179.03456	0.5
179.05614	0.8
182.02321	0.3
189.01758	0.3
190.02696	2.2
190.99799	0.4
191.03638	0.6
191.05580	1.7
192.00639	100.0
193.01395	22.7
193.02852	0.3
194.02176	2.7
197.04555	1.5
205.01465	1.6
206.02182	1.8
207.02972	56.2
208.03334	0.9
221.00899	0.7
222.01675	1.2
223.13356	0.5
232.03708	0.7
233.00780	0.4
234.01685	5.6
235.02513	2.1
237.04227	0.7
239.05612	0.5
249.04005	4.0
251.07841	0.4
276.02798	0.4
287.05530	0.4
291.05246	0.5
294.04004	0.6
297.06219	0.3
309.06192	2.5
315.18088	4.7
375.18103	1.3
447.22211	2.7
476.90115	0.3
492.08875	1.4
507.11444	21.1
508.11731	1.0
510.08905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03323	0.5
52.49647	0.5
57.03444	11.5
59.01377	4.2
60.99291	0.8
61.49594	0.5
61.98827	4.3
69.03463	0.5
69.28308	2.4
69.37891	0.5
71.01387	1.8
81.03458	1.3
83.01393	2.5
85.02947	0.8
88.98803	4.4
89.02450	1.5
93.03413	0.7
95.05014	1.1
97.02988	0.8
98.22787	0.6
101.02422	0.7
105.03453	3.6
105.66445	0.5
107.04272	0.6
109.02962	2.0
113.02422	0.7
117.34955	0.5
119.05005	1.2
121.02931	0.7
123.00855	0.6
123.04512	0.8
124.01741	0.7
125.02443	100.0
126.02770	1.2
133.02951	1.6
137.02458	5.8
138.03189	0.6
139.04033	0.8
149.02419	2.5
149.06113	2.7
150.03239	1.0
151.00377	1.2
151.04015	1.1
153.01901	1.3
161.02438	43.8
162.03052	0.7
163.04065	0.8
163.07722	0.6
165.01953	0.8
166.02731	0.7
167.03528	1.7
169.01366	0.6
175.07649	1.9
177.05588	3.9
179.03439	0.7
179.07140	1.7
191.07108	0.7
192.00664	1.6
193.01373	1.6
201.05605	1.5
203.03516	1.1
206.05185	0.5
207.02937	1.3
210.24896	0.5
219.06621	1.7
233.01099	0.6
234.01625	1.1
237.07654	1.3
243.02841	0.8
243.06586	0.8
249.03973	0.8
258.01703	1.2
259.02454	1.7
267.08917	0.9
269.04507	3.1
271.02588	1.0
286.01205	0.8
287.02020	3.2
287.05563	26.6
296.02829	0.6
305.06656	6.2
305.13943	0.7
309.06235	1.0
315.01511	10.5
315.04880	0.7
329.02975	2.6
330.03830	14.6
331.04437	1.3
345.06180	18.9
345.12827	2.6
375.15106	0.7
421.18335	0.8
477.19547	1.0
489.21072	0.9
507.11438	9.8
507.20868	3.5
507.28156	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40120	0.7
55.01919	0.9
57.03443	4.0
59.01377	5.8
61.98864	1.2
66.83382	0.7
68.99841	1.1
69.17387	3.6
71.01373	8.8
71.05060	0.8
73.02976	1.6
74.88031	0.7
81.03490	1.8
83.01418	1.2
85.02989	2.6
89.02483	2.3
91.01888	1.2
95.01379	0.9
95.05026	15.4
96.96033	0.9
97.02959	1.0
98.22663	1.5
101.02436	4.8
107.01405	1.8
107.05122	0.9
108.02197	4.2
109.02956	14.6
109.06637	2.6
112.47754	0.6
113.02466	2.8
119.05083	0.7
123.00944	1.0
123.04526	8.7
123.08181	1.7
124.01668	0.9
125.02447	10.8
133.06577	4.1
135.04507	1.0
136.05301	2.6
137.02446	2.6
137.06017	0.9
149.06049	1.2
151.00404	4.3
151.07639	100.0
152.01157	6.1
152.07941	1.6
153.01926	31.9
154.02205	0.9
156.71356	0.8
161.02402	2.1
161.04543	1.0
165.05579	1.0
166.02722	1.7
167.03484	33.5
176.01106	0.9
177.01897	1.9
177.05528	2.9
179.03511	0.7
181.05022	1.6
192.00552	1.5
193.01407	1.0
195.02942	1.7
195.06609	20.2
196.89964	0.8
207.02861	1.3
209.04474	1.1
209.08063	2.9
209.11786	7.9
216.60201	0.6
237.03870	1.1
296.05286	4.2
297.06134	12.7
307.16199	0.7
311.07712	61.1
312.07761	1.8
317.06396	0.7
327.21500	1.0
339.10602	1.8
343.08163	7.0
357.11816	11.2
371.12769	0.9
373.08728	3.2
415.58273	0.9
463.11627	2.6
471.08676	1.4
507.14276	56.2
507.27219	3.2
508.14407	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01376	0.7
81.03467	0.7
83.01413	0.5
84.69978	0.6
87.36236	0.6
97.02953	0.8
109.02943	1.6
110.57427	0.6
111.04518	1.1
111.08161	13.3
113.22643	0.6
120.14572	0.5
121.02927	0.8
125.02441	9.5
137.02460	3.6
139.04004	1.9
139.07645	7.7
155.07126	3.7
157.08701	6.2
164.01147	1.3
165.01904	2.3
166.13612	0.6
166.86108	0.5
167.03459	2.0
179.03490	2.4
183.06575	1.3
189.05486	0.7
201.07674	100.0
202.07997	1.6
219.06587	1.1
305.06638	11.1
306.06671	0.7
327.07254	1.1
343.85580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03449	3.5
59.01378	5.4
61.98819	1.8
69.23119	1.2
69.23525	2.4
71.01371	3.8
72.99290	1.3
73.02954	1.2
79.05508	1.4
83.01386	0.5
85.02943	1.7
87.36112	0.5
88.98808	1.2
89.02444	2.3
92.38173	0.5
95.05028	11.4
96.95985	0.9
97.02967	0.7
99.00858	0.6
99.04515	0.6
101.02423	2.1
105.03492	0.6
109.02947	1.3
109.06615	1.1
111.00908	0.5
113.02469	1.3
119.03539	0.7
122.03687	0.7
123.04520	48.6
123.08161	0.8
124.01645	1.1
124.04851	0.9
125.02442	14.0
129.02689	0.5
133.06601	1.1
135.04568	0.8
136.05284	1.4
137.02464	1.8
137.06117	0.6
139.03969	1.0
147.04495	0.9
149.06053	0.8
151.07642	55.1
153.01981	3.0
161.02420	4.5
161.05963	0.6
165.05614	0.6
167.03490	100.0
167.45161	0.5
168.00639	1.5
168.03693	1.1
169.01395	1.0
173.06122	0.7
175.04053	0.9
177.01765	0.5
177.05627	3.3
179.03438	1.0
181.05103	0.7
183.02980	3.2
189.05519	0.7
191.03464	4.2
192.00645	1.5
193.05023	0.8
195.06613	5.5
197.04567	0.8
205.04913	0.8
207.02943	1.2
209.04482	2.9
233.04677	0.8
239.05634	1.1
269.06683	0.5
273.07748	0.6
285.07431	0.5
287.05573	2.1
305.06705	0.9
311.07687	6.8
315.08725	0.5
339.11002	1.2
345.09506	1.1
357.09695	0.7
384.25726	0.5
387.10779	2.0
417.11945	3.7
421.61725	0.6
448.66913	0.6
461.20108	1.4
463.21902	0.8
464.22043	1.1
507.14990	83.0
507.20535	3.4
508.15213	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	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03445	4.7
57.44963	0.6
59.01371	4.3
61.98842	1.1
69.22861	3.1
69.23279	1.2
70.03552	0.7
71.01370	3.9
71.10289	0.6
72.99330	0.7
73.02943	1.4
79.05524	1.4
80.91669	0.9
83.01386	1.1
85.02948	1.7
89.02433	0.9
95.01389	0.9
95.05023	10.1
97.02985	0.7
101.02450	2.0
105.03442	0.8
109.02929	1.6
109.06568	1.1
113.02454	1.0
122.03759	0.8
123.04523	48.3
123.08154	0.9
124.01672	2.4
124.04819	0.8
125.02446	22.6
133.06567	1.1
136.05273	0.8
137.02458	1.6
139.04066	0.7
151.04057	1.3
151.07643	52.9
153.01930	2.3
157.22461	0.7
161.02446	8.0
161.04527	1.3
163.03987	0.7
165.05542	1.1
167.03488	100.0
168.00648	2.5
168.03807	1.1
169.01375	2.1
173.06126	0.8
175.03970	0.8
175.07697	0.7
177.02014	0.7
177.05547	3.4
179.03496	0.7
181.05026	1.7
183.02956	7.0
186.70160	0.6
189.05663	0.7
191.03506	3.9
195.06586	5.5
209.04538	2.0
216.92998	0.8
219.06583	0.7
239.05511	0.7
241.05328	0.7
248.63225	0.7
269.04285	0.7
270.09845	0.7
273.07590	0.8
287.05545	4.4
288.05710	0.7
305.06244	0.7
311.07767	8.1
315.08627	1.4
327.08688	1.4
345.09595	1.0
357.09879	0.7
387.10843	2.2
401.51077	0.7
417.11865	5.1
463.21811	1.1
464.22073	5.3
471.09320	1.2
507.15063	85.6
508.15268	5.1
523.34406	0.7
533.93414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03440	1.3
59.01378	5.8
61.98826	1.0
67.01875	0.4
69.19951	1.1
69.20338	0.9
71.01387	2.1
71.05019	0.7
73.02955	2.2
75.00857	0.4
81.03450	1.1
83.01405	0.8
85.02926	0.7
89.02455	0.9
91.05530	0.5
93.03455	1.3
95.01365	0.8
95.05036	1.9
101.02425	1.9
105.07099	17.4
107.01405	2.0
107.05050	1.0
108.02159	3.1
109.02949	0.8
109.06577	4.6
110.70332	0.4
110.89380	0.5
113.02483	0.6
115.48440	0.5
119.05005	1.7
121.02969	0.6
121.06605	0.9
122.03727	1.2
123.00945	1.0
123.04538	4.0
125.02443	4.3
131.08670	0.9
133.03038	0.5
133.06577	1.4
137.02403	0.6
137.06068	1.9
145.06595	0.6
147.04504	0.5
147.08133	1.4
149.06078	100.0
150.03207	1.0
150.06477	1.4
151.00366	5.2
151.07640	14.3
152.01138	5.6
153.01915	1.9
157.06601	0.8
159.04477	0.5
160.05293	9.3
161.06136	3.1
162.03276	0.5
163.07658	3.5
165.01872	1.0
165.05566	0.5
165.09180	2.3
166.02716	4.7
167.03484	11.1
173.06088	9.1
174.03226	0.5
175.00316	1.7
175.07637	80.4
176.07945	1.8
177.05582	3.0
177.09169	1.6
178.99834	1.4
179.07179	0.5
179.10843	0.5
181.05116	0.9
187.07642	7.4
188.04848	0.6
189.05547	2.5
190.06367	1.0
191.03493	1.2
191.07161	2.7
193.01418	8.0
193.08699	9.4
194.02193	2.7
195.02995	0.6
195.06636	2.5
203.07054	0.7
205.08661	6.3
209.04543	16.6
217.08710	1.5
219.06615	13.8
220.06891	0.5
223.09785	2.2
235.06107	1.0
237.07668	47.8
238.07951	1.2
239.05528	1.6
249.07681	1.2
249.48434	0.4
254.04321	1.6
267.05820	0.6
267.08725	15.6
269.06650	59.3
270.06934	1.7
279.08633	1.0
286.01050	1.0
301.03491	1.8
303.08917	0.5
319.04611	5.3
329.02863	2.8
344.05368	0.6
471.05344	0.7
486.59988	0.5
507.10889	2.6
507.28027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09084	0.6
57.03424	0.7
59.01374	4.0
71.01377	2.8
71.43102	0.7
72.99310	0.8
75.00855	3.6
87.00875	24.6
89.02464	1.3
94.29426	0.7
99.00867	3.9
101.02436	2.3
105.01934	26.8
108.02181	7.9
109.02950	3.0
117.01946	1.1
121.42562	0.8
135.03038	1.0
141.00429	0.8
147.02995	3.9
152.01154	8.2
153.01930	3.6
165.04034	100.0
191.01947	1.0
192.00616	1.5
207.03055	1.0
315.07211	15.8
327.07150	1.8
507.17499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19012	0.9
57.03447	11.9
58.08227	1.0
59.01378	66.5
69.03436	1.2
69.16296	4.8
71.01377	12.7
73.02945	7.9
81.03448	1.1
83.01407	2.1
83.05057	1.3
85.02949	3.5
87.00887	1.5
88.98826	3.1
89.02443	1.9
95.05045	1.2
96.19719	1.1
96.96002	1.1
98.22678	1.9
99.00842	1.3
99.04517	1.1
101.02455	3.8
109.02988	2.3
113.02448	3.2
113.06082	7.0
116.92883	1.2
123.04536	1.6
124.01707	1.3
125.02433	6.5
129.01036	1.0
135.08157	1.2
137.02432	1.2
137.09700	5.0
143.03479	0.9
151.03984	2.0
151.11282	1.5
153.01912	2.5
153.09222	13.5
161.04469	1.6
161.09674	1.6
163.11304	3.2
165.09218	15.9
175.07643	1.1
177.01938	1.3
179.03397	1.2
187.11290	4.5
192.00690	2.6
193.12393	1.6
199.09731	1.1
203.05589	6.6
205.12335	13.1
207.02933	1.8
208.11086	1.8
222.72054	0.9
223.13382	100.0
224.13684	2.2
228.36279	0.9
317.06628	3.6
327.08765	1.1
335.16821	1.0
343.08279	2.1
373.09454	1.4
463.21857	4.5
464.22067	1.5
507.11044	1.3
507.21039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77931	0.4
59.95256	0.4
61.39082	0.3
65.03963	0.4
70.91234	0.4
93.03458	1.9
109.02937	1.1
121.02959	1.5
125.02429	0.8
137.02455	2.9
148.33846	0.4
149.02446	0.5
151.00339	1.4
151.18811	0.4
165.01953	0.8
168.48579	0.4
177.01924	1.8
186.06828	0.9
187.62883	0.4
193.01405	100.0
194.01801	0.8
199.03960	1.0
200.04764	0.8
211.03992	0.4
227.03493	1.3
228.04247	1.4
243.13815	0.7
245.09218	0.4
257.15472	4.4
269.15475	0.5
285.14938	3.8
296.14209	1.0
312.13644	6.6
313.14410	14.0
489.15662	0.6
507.16483	5.4
528.82788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.3
69.45198	3.9
71.01376	13.1
71.47573	0.8
73.02946	4.3
73.84705	1.0
79.05536	3.2
81.03452	3.2
83.01395	1.3
85.02942	4.3
86.69463	0.9
89.02454	1.1
99.00867	1.8
100.70374	1.0
101.02428	8.0
102.33097	1.0
113.02449	6.1
123.04519	100.0
124.01633	2.2
125.02419	2.6
138.03162	1.1
139.04005	1.5
143.03516	1.1
161.04556	21.3
161.05836	1.5
166.02669	1.4
168.00551	1.2
177.01976	1.6
181.05081	1.4
183.03001	2.0
192.00635	2.8
194.02277	0.9
207.02928	1.7
207.09618	1.0
247.96388	1.6
275.08383	0.9
285.09799	43.8
286.10077	1.4
289.97415	4.3
327.07080	3.0
425.03961	9.1
447.15018	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	507.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23709	1.0
57.03443	1.6
59.01375	31.1
61.16365	1.0
61.98814	3.0
69.03444	2.0
71.01382	18.3
72.99282	4.3
73.02949	6.2
75.00887	6.3
82.95409	2.0
83.01370	2.6
83.04982	1.2
85.02941	10.7
86.53947	0.9
87.00877	4.6
89.02440	10.2
95.04969	1.1
96.96001	4.1
97.06564	1.4
99.00893	5.8
101.02468	6.3
109.02930	1.8
109.06615	0.9
111.04522	2.0
111.08153	3.1
113.02451	10.8
115.00352	1.3
115.61766	0.9
116.92862	1.7
119.03509	2.5
123.00803	0.9
123.04465	1.6
123.08163	2.5
124.01659	1.7
125.02435	2.9
139.07559	1.2
141.01842	2.7
141.09175	1.5
149.09695	3.4
152.16269	0.9
156.08353	1.0
157.01456	1.1
157.08702	1.3
161.04520	1.4
161.41791	0.8
163.00368	1.1
165.05515	1.0
167.10742	4.8
175.02487	1.6
175.07622	1.0
177.09190	9.5
183.02928	1.5
185.08224	8.5
193.08658	3.9
195.02953	3.5
195.10170	1.8
203.07256	1.2
211.09737	3.5
213.04060	2.0
215.96577	0.9
221.08215	8.5
239.09245	10.6
249.06087	3.4
257.10233	4.3
265.17685	1.0
267.07208	4.3
269.53763	1.0
285.06235	1.2
285.12375	2.2
299.11591	0.9
313.12790	2.6
323.13452	11.0
331.13901	8.5
345.13391	2.7
373.15021	2.7
445.13174	1.0
447.22232	3.0
463.10794	4.1
463.21631	2.9
471.14319	1.1
489.16031	10.8
507.10580	5.0
507.17123	100.0
508.17480	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	507.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03440	1.9
58.00594	2.0
59.01377	100.0
61.98840	3.4
69.03452	6.4
69.75026	2.2
69.75381	1.7
71.01379	51.4
72.99295	3.1
73.02941	24.5
75.00876	1.9
77.53587	0.9
81.03452	4.5
83.01394	7.6
85.02946	20.9
87.00874	3.1
87.04502	1.5
88.98802	8.7
89.02443	30.7
93.03458	2.8
95.01376	2.9
96.96017	2.4
97.02940	7.3
98.21890	1.2
99.00871	3.5
99.04503	1.5
101.02445	37.5
103.04010	27.1
108.02168	16.9
109.03011	1.6
113.02464	4.6
115.04003	2.3
115.76711	0.9
116.92862	1.0
119.03517	13.5
121.02947	14.3
125.02444	39.1
127.04025	2.6
131.03514	1.5
135.47238	1.0
137.02394	1.2
139.07654	1.1
143.03503	3.6
144.91049	0.9
145.05048	4.8
150.03198	1.2
151.61920	0.9
161.04584	1.5
163.06125	20.3
166.41992	1.0
167.03477	1.1
169.01373	2.3
169.06578	1.1
179.07191	1.2
195.06705	0.9
198.06863	28.6
199.07632	79.7
200.07925	1.7
205.07112	3.4
209.04465	1.1
209.11794	4.0
210.12192	3.6
221.11758	3.1
247.08212	10.6
253.09203	1.5
285.17221	1.2
287.60086	1.1
301.03555	1.2
307.10349	10.4
327.42801	1.1
344.05420	1.5
344.70520	1.0
345.06201	1.1
447.09265	1.3
447.26093	2.7
463.22476	1.0
480.25381	1.2
507.11343	2.9
507.18958	8.7
507.27652	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03436	2.1
59.01379	68.2
65.46674	0.7
69.03456	0.7
69.40649	2.3
71.01381	32.3
71.01782	1.5
72.99318	0.8
73.02557	1.1
73.02943	15.5
83.01382	6.4
85.02950	18.1
87.00875	1.3
89.02439	2.9
95.01369	2.1
97.02946	1.4
98.21794	0.8
99.00871	5.4
101.02442	39.1
113.02443	17.1
115.13944	0.6
125.02447	2.6
129.01933	0.9
131.03506	31.6
131.86562	0.7
143.03491	3.3
153.12933	0.7
159.02945	4.0
161.02475	1.4
161.04550	24.8
161.84644	0.6
164.49043	0.6
245.57921	0.6
268.99966	0.7
315.18103	100.0
316.18402	2.9
407.47275	0.7
447.22324	73.8
448.22470	3.1
507.24329	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18097	2.9
55.59613	3.4
55.88429	3.1
59.01376	100.0
61.98835	6.9
67.24875	3.0
71.01381	51.3
73.02949	23.0
74.72398	3.0
75.00841	4.4
83.01408	5.1
85.02961	14.4
87.00862	7.0
89.02435	60.9
93.66809	3.0
99.00879	12.2
101.02446	39.2
103.04000	7.2
109.02944	3.5
113.02452	12.3
115.04005	4.9
119.03506	9.9
125.02477	6.8
131.03499	10.5
149.04539	30.4
163.06088	21.7
177.05608	3.7
179.05652	6.5
191.05592	6.0
192.00586	3.8
203.71194	3.5
205.07088	3.3
211.13388	35.2
221.52592	4.0
251.08029	4.5
275.82376	3.3
447.22375	60.3
448.22842	5.1
461.23737	11.5
463.25470	14.2
507.24680	4.2
507.31262	20.9
515.91321	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	4.2
55.18031	1.8
55.38255	1.8
57.03450	6.9
59.01379	70.5
59.55130	1.7
61.98836	4.2
62.49248	1.9
63.81971	1.7
64.94445	2.0
66.75947	2.0
69.29485	8.9
71.01377	79.3
73.02949	25.0
75.00899	2.2
83.01380	10.1
84.37080	1.9
85.02947	32.5
87.00889	2.9
89.02440	22.5
95.01384	5.1
97.02927	2.7
99.00861	11.5
101.02438	47.7
102.55921	2.0
113.02451	32.0
119.03525	3.9
125.02460	34.2
131.03508	4.4
143.03456	2.3
149.04578	4.1
159.03024	6.7
161.02487	14.3
161.04559	41.5
162.03212	1.9
164.01187	4.2
179.07144	2.2
187.11055	2.0
190.02728	2.7
192.00645	55.5
193.01395	14.8
194.02293	4.9
207.03015	26.8
234.01727	8.5
237.03960	1.7
249.04041	8.2
287.05667	6.2
309.06131	8.5
315.18121	93.5
316.18271	2.5
327.07217	9.0
447.22342	100.0
448.22739	6.0
456.82523	2.1
463.16135	6.8
481.23471	2.1
507.14996	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81281	0.6
57.03458	1.8
59.01380	100.0
61.98828	2.6
63.84762	0.7
69.03458	0.8
69.32816	1.8
69.33221	1.5
71.01382	7.6
72.99298	1.9
73.02943	8.4
75.00880	1.2
83.01393	1.3
85.02963	2.8
89.02447	3.3
93.75362	0.6
95.01419	2.0
96.96026	2.0
99.00874	0.9
101.02441	8.2
108.02171	1.0
108.33474	0.7
109.02925	0.8
113.02451	5.3
119.03510	1.7
123.03262	1.1
125.02483	2.6
131.03549	0.9
134.07454	0.8
137.02423	0.9
138.02000	1.5
138.05620	12.3
139.00414	0.8
139.05986	6.3
140.80341	0.7
143.03525	1.1
145.02957	2.1
149.04570	1.1
149.09720	6.6
151.04037	2.0
153.09264	2.1
161.04593	2.8
163.04042	1.2
167.10768	10.1
179.05728	0.7
194.02451	0.7
197.04655	1.1
209.08347	0.7
225.15022	2.6
239.09421	0.7
243.16124	2.0
289.26825	0.8
315.12445	0.7
371.27689	0.8
382.37259	0.8
387.20224	6.1
405.21350	2.4
432.66440	0.7
433.20724	4.7
445.20920	1.5
447.16843	5.4
447.22540	14.7
507.16647	3.4
507.24982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.2
64.78292	0.7
69.74281	2.7
78.95906	13.3
79.56973	0.8
96.96918	1.1
127.68243	0.8
137.06004	1.4
152.98331	1.2
152.99580	23.0
160.84206	1.8
171.00615	1.2
178.79208	0.8
192.95758	0.8
227.03302	2.1
245.04289	1.0
245.06590	0.9
279.23282	100.0
280.23566	2.7
282.25012	1.2
433.23508	3.1
449.23114	1.0
507.20413	1.7
507.27121	28.2
508.27487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31771	5.5
75.52288	1.1
79.91324	1.2
84.99255	1.1
109.02972	1.3
114.60149	1.3
122.03739	5.6
123.04517	18.8
125.02486	1.2
136.05305	2.6
137.02444	2.8
137.06056	2.2
138.03214	8.2
139.03986	1.3
149.06061	2.9
151.03995	19.7
152.04767	4.3
164.04797	2.4
165.05576	18.9
165.53076	1.4
175.07574	2.3
179.07211	1.3
191.07195	1.4
221.11804	4.5
247.16936	2.2
270.13971	1.4
273.18726	1.4
275.16473	3.3
276.17215	7.5
284.38757	1.3
301.18109	4.6
302.18811	7.7
310.51913	1.4
315.19592	11.8
341.21234	8.0
367.58417	1.3
463.30188	2.4
469.32950	2.1
475.28439	4.4
477.26440	6.4
492.28809	60.5
493.29129	3.5
507.31161	100.0
508.31488	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	507.3114
Annotation	Stellettin I
Peak:m/z	Relative Intensity
61.46104	0.5
69.64909	1.0
69.65265	1.0
96.86383	0.4
98.22556	1.0
108.02177	4.3
109.02930	2.0
134.03741	2.6
149.06081	0.7
160.01643	2.1
160.05302	2.0
161.02492	0.7
175.04008	3.0
199.07692	1.0
201.05597	1.1
209.06223	0.6
213.05597	0.7
227.07094	3.5
237.11305	0.5
241.05064	0.7
254.05922	5.8
255.06615	8.2
269.08237	0.9
278.06885	0.5
279.39526	0.5
294.63977	0.5
341.24872	10.3
357.24280	0.8
383.25967	1.0
421.27252	0.8
433.27472	0.9
449.27014	12.2
450.27774	2.9
465.30103	28.5
466.30539	1.3
492.28757	2.6
507.31174	100.0
508.31476	7.7
522.87384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19611	0.4
54.99423	0.4
55.01878	3.0
57.03449	3.0
59.01380	21.3
61.98829	0.9
69.43191	2.0
71.01382	25.8
72.99322	1.0
73.02946	11.6
75.00861	0.8
83.01381	6.6
85.02949	15.8
86.00102	0.9
87.00881	1.7
87.59399	0.4
87.91654	0.4
89.02443	1.4
93.03456	0.8
95.01389	2.1
97.02978	1.0
97.06565	0.4
99.00881	4.1
99.23728	0.4
101.02444	22.6
102.72313	0.5
111.00874	4.5
113.02457	9.9
119.03455	0.5
125.02483	1.4
129.01953	1.5
137.02460	1.7
143.03503	0.5
157.12421	0.6
159.02971	2.5
161.04555	6.5
171.13913	0.7
185.15527	0.7
211.13359	0.4
279.23413	0.5
299.25781	2.5
305.23691	0.4
345.30148	6.2
410.25659	0.4
421.24252	0.7
463.25409	2.4
503.21460	0.4
507.35443	100.0
508.35657	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	507.3685
Annotation	Sipholenol M
Peak:m/z	Relative Intensity
59.01354	1.3
61.98811	1.6
71.05029	0.8
78.95897	3.7
85.06593	0.6
97.06595	6.7
98.22629	0.5
121.06546	0.6
123.04567	0.4
136.72058	0.4
145.81412	0.4
152.99585	4.3
156.38425	0.4
165.12878	1.1
186.70210	0.5
193.12334	2.1
195.13905	1.1
196.89392	0.7
209.15427	1.7
219.13890	1.8
221.15419	2.9
227.03175	0.8
231.13994	0.5
235.16953	1.2
251.20146	0.6
261.22208	0.5
279.23285	23.3
280.23624	0.7
287.23831	0.9
373.27670	2.2
407.28015	2.4
425.34317	1.8
427.35800	13.5
471.34747	100.0
472.35150	4.5
489.35834	26.8
490.36218	1.6
507.27295	10.1
507.36868	16.9
508.36752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3687
Annotation	Sipholenol M
Peak:m/z	Relative Intensity
61.98805	1.9
71.01381	2.7
87.98952	1.2
97.06575	7.0
98.21836	2.2
125.09681	1.3
179.10774	1.8
191.10796	5.1
207.13901	1.9
230.99825	1.3
235.13472	3.0
237.18515	2.5
239.00053	1.2
291.61667	1.5
295.19012	1.3
345.24191	1.5
363.25455	5.5
373.30905	1.9
387.32730	2.3
389.34308	1.4
415.32159	9.9
419.31775	1.7
433.33228	21.1
447.35260	3.0
471.34641	6.7
489.35892	17.0
490.36609	9.8
507.36932	100.0
508.37274	3.4
522.35864	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	507.3686
Annotation	Sipholenol M
Peak:m/z	Relative Intensity
54.00057	0.6
57.03448	7.9
59.01369	3.7
73.41216	0.5
77.46788	0.6
83.05013	1.0
85.06586	25.0
85.07104	1.2
97.06589	2.4
103.14071	0.6
107.05051	0.7
109.06590	0.7
111.08207	1.4
118.92515	0.6
122.17892	0.6
129.23302	0.6
135.08167	0.6
137.09755	1.2
139.11279	3.4
141.09814	0.5
151.11295	1.4
167.14375	3.7
177.09227	1.8
177.12891	3.6
179.10747	4.8
179.14392	1.9
191.10788	2.3
193.12305	5.5
195.13919	4.4
205.12309	0.7
205.16010	0.7
207.10222	0.9
223.13385	24.6
235.13382	18.0
241.14465	3.0
253.14470	4.2
253.21724	36.3
254.21933	1.0
265.21710	0.8
277.21762	1.0
281.21191	9.6
353.38596	0.6
445.36884	2.6
471.27481	1.1
489.35873	13.4
507.36871	100.0
508.36996	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01364	0.6
59.98510	0.5
61.19181	0.4
69.25637	2.4
69.53194	0.5
71.01359	1.6
73.02949	0.5
75.42758	0.5
85.06607	0.7
97.06583	10.5
109.06580	0.7
123.00916	0.7
123.08185	0.5
125.09688	0.6
137.09698	1.1
149.09703	1.5
151.11304	0.7
161.70270	0.5
179.10774	3.7
181.12335	0.6
191.10767	4.7
193.12328	0.9
195.13918	0.7
205.12296	1.1
207.13832	3.6
207.33002	0.5
235.13333	2.5
253.14305	0.6
277.18002	0.6
287.23590	0.5
289.25320	0.7
291.23270	0.9
295.18979	1.3
309.24374	0.6
317.24811	0.7
329.28281	0.6
336.22955	0.6
342.09610	0.6
345.24402	0.7
363.25409	1.9
371.29337	1.1
385.31158	0.9
387.32596	5.5
389.34265	2.4
399.28946	1.8
415.32126	20.7
416.32605	1.0
423.29495	0.5
431.24124	0.5
433.22482	1.9
433.33179	41.3
434.33545	1.7
443.35214	4.0
445.36865	1.4
448.24588	1.0
461.36246	0.7
463.27057	2.0
471.34766	8.0
472.35184	0.9
475.33780	0.6
489.35803	7.6
490.36615	6.6
507.36871	100.0
508.37280	5.4
522.35614	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	507.3687
Annotation	Sipholenol M
Peak:m/z	Relative Intensity
57.03439	0.7
57.32163	0.7
69.71947	2.0
71.01389	1.0
91.45063	0.7
97.06590	8.2
98.22673	0.8
99.53313	0.6
119.53110	0.7
130.50400	0.7
149.09642	1.3
151.11267	0.8
161.86552	0.8
179.10764	1.9
191.10818	5.0
195.13948	1.1
205.12320	0.8
207.13908	2.8
235.13342	2.2
243.48027	0.6
260.49127	0.7
291.23215	1.1
329.28427	1.0
335.69476	0.8
345.24768	0.8
354.49774	0.8
363.25168	1.2
385.31165	1.2
387.32635	4.2
389.34225	1.1
399.29227	1.5
415.32181	16.5
433.33228	26.9
443.35083	2.9
461.36380	1.1
471.34769	11.5
472.35684	1.0
489.35977	6.9
490.36401	2.7
507.36865	100.0
508.37234	4.5
522.35522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3688
Annotation	Sipholenol M
Peak:m/z	Relative Intensity
51.31973	1.2
54.37578	1.1
59.01376	1.3
71.01395	1.2
77.46709	1.3
90.33398	1.0
97.06567	10.0
98.21782	2.3
137.41942	1.0
166.83188	1.3
179.10710	3.2
191.10699	3.8
195.13910	1.2
205.12227	1.7
207.13763	1.4
219.17262	1.3
220.15450	1.3
235.13483	1.3
249.15041	1.7
363.25443	3.0
387.32642	1.8
399.29358	1.4
415.32297	7.5
433.33139	12.8
443.35153	3.9
445.36615	2.0
448.84351	1.2
461.35968	1.8
471.34897	9.8
489.36081	6.8
507.36884	100.0
508.37210	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	508.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75480	0.7
59.01382	2.3
59.41503	0.6
61.98829	100.0
69.24993	2.5
69.25401	1.8
71.01383	0.8
73.90135	0.7
78.95909	0.8
85.51856	0.7
96.10458	0.7
97.05547	0.9
97.66331	0.7
125.02423	0.8
125.29223	0.7
131.41385	0.8
210.05869	0.7
215.65796	0.8
216.95007	0.7
222.32393	0.7
224.13678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99553	0.2
59.01373	3.2
61.98829	100.0
69.50760	0.5
69.51121	0.8
71.01396	1.8
73.02951	0.6
77.19064	0.2
82.51637	0.3
85.02978	0.4
89.02440	1.5
90.02779	0.3
101.02464	0.9
109.02962	0.3
111.11143	0.3
113.02451	0.3
120.99713	0.7
125.02461	1.0
130.68993	0.2
137.02393	0.4
151.03987	0.4
152.04413	0.3
153.01999	0.5
161.02531	0.3
169.01445	0.3
200.44347	0.3
207.03062	0.3
241.05124	0.3
242.05536	0.5
287.27701	0.3
330.10931	0.4
345.13507	1.4
346.13763	3.2
351.17938	0.3
354.95941	0.3
448.22992	0.4
449.24496	0.3
476.04065	0.3
508.11542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13150	0.2
53.21104	0.2
59.01375	1.1
61.98826	100.0
69.37292	0.2
69.93918	0.3
69.94250	0.5
71.01385	0.8
89.02454	0.3
101.02422	0.6
105.77777	0.2
109.02983	0.8
125.02433	3.5
126.02803	0.4
135.00949	0.3
139.03995	0.3
151.03917	0.3
153.01926	0.7
161.02502	0.6
162.02776	0.3
166.46930	0.2
167.03531	0.8
169.01447	0.7
177.01953	0.7
287.05661	0.4
289.07343	0.3
316.12646	0.4
326.11469	0.3
346.14001	0.3
508.11441	0.4
508.19095	0.7
524.11017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99218	0.2
57.03444	0.2
57.86985	0.2
57.87283	0.2
59.01377	2.9
60.01711	0.2
61.64759	0.2
61.98829	100.0
71.01384	1.2
73.02956	0.2
86.03329	0.2
88.98800	0.2
89.02441	1.3
94.94669	0.2
98.22648	0.5
99.00850	0.2
101.02428	0.8
102.00813	0.2
108.02168	0.1
109.02962	0.2
113.02453	0.2
119.03510	0.2
125.02474	0.6
131.03534	1.3
132.03848	0.3
134.03748	0.3
135.04552	0.6
145.03009	0.2
149.02528	0.2
149.04590	0.8
149.06027	0.3
150.04895	0.2
153.02025	0.2
161.02451	0.4
161.04564	0.2
162.03149	0.3
164.01122	0.9
165.01569	0.5
169.48776	0.1
178.99965	0.4
179.05713	0.2
190.02682	0.4
191.05586	0.4
192.00641	9.7
193.01035	7.4
194.01778	1.3
205.05035	0.2
206.01923	0.2
207.02992	4.7
208.03331	4.0
234.01765	0.7
235.02328	0.4
249.04141	0.3
250.04469	0.3
307.15604	0.2
310.06461	0.2
315.18265	0.2
316.18628	0.6
358.17828	0.3
397.64264	0.2
412.38672	0.2
415.52707	0.2
427.16138	0.3
448.22745	0.6
490.55899	0.2
493.09671	0.2
508.11871	3.4
508.18280	0.2
508.24863	0.7
509.11868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01372	1.3
61.98826	100.0
69.37659	0.4
71.01375	0.7
72.00661	0.3
76.91196	0.4
88.98818	2.5
101.02461	0.4
103.96417	0.3
105.03484	0.3
117.03441	0.6
119.05031	1.4
121.02956	0.4
125.02448	4.9
126.02778	0.8
133.02960	0.6
134.03735	15.3
135.04521	19.2
137.02466	0.6
137.06093	1.2
145.02951	3.8
147.07816	0.4
148.05290	0.8
149.06075	7.7
151.85107	0.4
159.08154	0.4
161.02448	2.0
162.02805	1.0
176.03435	0.5
177.05521	0.6
178.05055	0.8
181.05084	0.8
190.05095	0.7
204.06581	1.1
247.10725	0.5
247.96536	0.4
287.05701	1.1
315.16989	0.9
331.04086	0.5
332.19684	0.6
346.06400	0.5
346.17557	2.1
358.13477	0.7
358.17682	8.2
362.20731	0.9
422.18820	0.5
508.24454	25.1
509.24893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58706	0.5
58.02964	0.7
59.01370	0.6
61.98829	53.5
69.45982	0.8
69.46333	1.8
73.98151	0.4
78.19307	0.4
88.33660	0.5
98.14803	0.5
107.05023	1.2
117.03468	2.8
119.05019	5.3
132.05792	0.5
133.02951	1.5
134.03740	56.1
135.04523	72.4
136.04861	0.7
138.45001	0.5
145.02953	15.3
147.04535	0.6
148.05313	3.0
149.06079	30.1
150.06384	0.6
156.42543	0.4
159.08162	1.1
160.01631	0.9
161.02438	0.9
161.05951	0.5
175.02672	0.6
175.03996	0.8
176.03545	3.1
178.05060	2.6
190.03526	0.4
190.04994	2.3
202.08725	0.4
204.06645	5.0
247.10858	1.9
304.16693	0.6
315.17099	3.0
332.19598	2.2
346.17737	8.7
346.21976	0.7
347.18378	2.1
358.17691	30.0
359.18130	0.6
362.20889	3.9
466.23154	1.0
492.20941	0.6
508.24493	100.0
509.24875	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	508.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33363	0.3
60.59044	0.2
61.98828	100.0
69.27875	1.5
74.04489	0.3
133.45573	0.4
192.26717	0.3
268.60840	0.3
387.22427	0.3
417.64594	0.3
445.25977	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	509.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01372	8.4
61.98821	0.9
67.01868	0.7
68.99815	0.7
69.03435	1.0
69.60015	1.8
71.01376	7.2
72.46218	0.5
72.99309	1.3
73.02966	1.2
75.00872	7.8
79.95743	2.3
83.01403	0.5
85.02945	6.9
87.00890	1.5
89.02460	2.3
93.03458	0.7
95.01381	2.7
96.96011	100.0
98.21870	0.7
98.74583	0.5
99.00886	3.4
101.02464	1.7
105.07101	1.1
108.09824	0.6
113.02466	10.2
115.00372	1.0
117.01893	1.0
117.99013	0.6
123.00862	0.9
125.02436	3.8
129.02040	0.8
135.08157	3.2
137.02422	0.9
149.06079	3.0
151.00374	0.7
151.07697	0.9
153.01913	0.9
161.04555	0.8
167.03372	0.7
169.01422	2.7
173.80548	0.5
175.02411	1.1
176.11655	0.6
179.07130	25.5
189.03973	0.7
211.02512	0.6
221.06734	0.7
231.05075	3.1
249.06140	22.6
250.06609	0.6
272.09882	0.6
319.08194	1.3
329.02298	0.7
329.06430	1.1
347.17184	0.6
429.13998	35.2
430.14432	1.1
463.21936	1.2
509.09647	74.1
510.09924	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	509.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03431	2.6
59.01379	5.2
61.98829	1.1
69.11203	1.4
69.11604	3.6
71.01378	9.0
73.02937	2.4
81.03465	1.9
83.01388	3.0
85.02961	4.0
87.00874	1.0
89.02445	2.0
93.03448	1.0
95.01380	2.9
99.00912	2.5
101.02419	5.4
104.08509	0.7
105.03454	0.8
107.01382	7.6
108.02167	35.6
109.02952	5.3
111.00883	1.2
113.02434	4.0
121.02956	9.9
122.00092	0.9
123.00883	11.2
123.04520	16.6
124.01659	4.7
125.02441	22.0
127.00359	1.5
133.02869	0.8
137.02432	11.7
138.03217	5.9
139.00348	2.7
139.03993	9.5
141.01990	1.1
143.99858	0.7
149.02451	0.9
151.00366	4.5
151.04066	0.8
151.07631	0.8
152.01147	70.2
153.01729	0.9
153.05560	8.5
155.03500	1.0
159.02805	0.9
161.02440	9.0
161.04576	2.4
165.01935	1.0
166.02711	18.3
166.99864	6.3
167.03484	100.0
168.00609	6.1
168.03841	2.2
169.01390	3.3
177.01938	1.2
181.01445	7.1
181.05051	16.0
182.02193	11.8
183.02977	33.0
185.04550	2.1
185.29428	0.8
197.04544	22.9
225.04025	2.4
226.02644	0.9
239.03380	1.6
239.05539	1.2
251.05594	0.9
269.04483	1.2
287.05655	5.7
305.06610	1.2
312.04733	2.1
326.06342	3.4
327.07172	68.5
328.07632	1.5
331.17526	1.5
341.08734	39.6
342.09024	1.1
346.06796	3.7
463.21796	12.0
509.12964	58.6
510.13400	3.8
536.58258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01375	2.7
61.98832	3.1
69.03449	0.4
69.35406	1.7
71.01380	2.4
72.99299	0.3
73.02946	0.9
75.33773	0.3
79.43845	0.3
80.02663	0.5
82.95415	1.8
83.01402	0.8
85.02952	1.1
89.02446	0.8
96.96005	0.7
101.02427	1.4
107.01370	0.5
108.02177	27.1
109.02378	0.4
109.03027	0.4
110.52927	0.3
113.02463	1.0
114.57841	0.3
119.03576	0.4
120.08234	0.4
120.99657	0.4
123.00889	1.1
123.04525	12.5
124.01652	0.5
125.02428	3.1
127.00386	0.3
137.02464	0.9
137.06047	0.4
138.03249	1.1
138.05560	0.5
139.00366	0.3
139.04039	0.5
143.05089	0.5
145.78177	0.4
151.00401	0.6
152.01154	58.7
153.01566	1.1
153.05576	2.8
160.01691	0.3
161.04575	0.5
165.05501	0.3
166.02676	0.5
167.03493	100.0
168.03799	1.0
169.01395	1.5
177.01910	0.6
181.01480	0.3
182.02211	1.0
183.02899	1.2
192.00644	0.4
196.03738	0.4
197.04541	12.0
211.06134	0.6
239.05544	0.7
255.02843	0.7
284.03140	0.8
309.17050	0.6
327.07104	1.2
331.17715	0.5
341.08710	2.4
447.08881	0.7
463.21625	1.7
465.13489	0.4
491.22818	0.7
509.12921	3.5
509.23352	2.3
509.29636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1297
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
51.80049	0.9
55.01866	1.4
57.03444	2.7
59.01372	11.0
59.17123	0.8
61.95279	0.8
64.13313	0.8
67.68163	0.7
69.03428	1.1
69.65143	1.6
69.65539	1.7
71.01375	5.6
73.02938	2.7
81.03473	1.5
83.01382	1.7
85.02958	2.0
89.02446	2.9
95.05085	1.9
97.02955	1.8
98.21911	0.9
99.00878	1.2
101.02457	3.8
105.03450	1.7
105.07101	6.4
107.01416	2.8
109.02944	0.8
109.06586	2.8
111.00887	1.8
113.02480	2.4
121.02973	0.8
123.00874	2.6
124.00754	0.7
124.01650	17.4
125.02447	63.5
126.02777	1.9
133.06477	0.9
136.98805	0.8
137.02481	4.6
137.06126	0.9
138.03174	0.9
139.00349	1.7
140.01141	1.5
141.02075	0.7
149.02469	7.0
149.06087	35.8
151.00357	1.2
151.07649	9.4
152.01103	1.4
160.05273	3.7
161.02435	7.5
161.04530	1.9
161.06041	0.9
162.02919	1.2
163.07637	3.1
164.01144	1.1
165.01923	5.2
165.09291	1.0
167.03462	6.4
168.00642	15.9
169.01424	92.6
173.06067	2.4
175.07632	19.1
183.02960	2.5
187.07617	5.2
191.07111	1.5
192.00633	2.1
193.01352	2.2
193.08681	2.5
195.06647	1.9
205.08746	3.6
211.02472	67.4
212.02780	1.2
217.08716	1.7
219.06606	1.5
223.09761	0.9
227.03479	0.8
237.07683	3.2
241.03531	67.8
242.03830	1.4
243.02977	1.0
259.09940	1.0
267.08728	6.3
269.04510	1.0
271.04593	100.0
272.04840	1.2
279.08685	1.8
287.05618	4.5
299.01840	3.2
303.08704	1.6
314.04279	2.3
329.06516	7.4
329.10095	1.1
331.17529	2.0
342.17792	0.9
346.06854	1.1
347.11380	1.1
355.06628	1.9
463.21869	14.7
491.11926	2.7
509.12662	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	509.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03431	2.6
59.01379	5.2
61.98829	1.1
69.11203	1.4
69.11604	3.6
71.01378	9.0
73.02937	2.4
81.03465	1.9
83.01388	3.0
85.02961	4.0
87.00874	1.0
89.02445	2.0
93.03448	1.0
95.01380	2.9
99.00912	2.5
101.02419	5.4
104.08509	0.7
105.03454	0.8
107.01382	7.6
108.02167	35.6
109.02952	5.3
111.00883	1.2
113.02434	4.0
121.02956	9.9
122.00092	0.9
123.00883	11.2
123.04520	16.6
124.01659	4.7
125.02441	22.0
127.00359	1.5
133.02869	0.8
137.02432	11.7
138.03217	5.9
139.00348	2.7
139.03993	9.5
141.01990	1.1
143.99858	0.7
149.02451	0.9
151.00366	4.5
151.04066	0.8
151.07631	0.8
152.01147	70.2
153.01729	0.9
153.05560	8.5
155.03500	1.0
159.02805	0.9
161.02440	9.0
161.04576	2.4
165.01935	1.0
166.02711	18.3
166.99864	6.3
167.03484	100.0
168.00609	6.1
168.03841	2.2
169.01390	3.3
177.01938	1.2
181.01445	7.1
181.05051	16.0
182.02193	11.8
183.02977	33.0
185.04550	2.1
185.29428	0.8
197.04544	22.9
225.04025	2.4
226.02644	0.9
239.03380	1.6
239.05539	1.2
251.05594	0.9
269.04483	1.2
287.05655	5.7
305.06610	1.2
312.04733	2.1
326.06342	3.4
327.07172	68.5
328.07632	1.5
331.17526	1.5
341.08734	39.6
342.09024	1.1
346.06796	3.7
463.21796	12.0
509.12964	58.6
510.13400	3.8
536.58258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1296
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
52.71503	0.6
57.03441	2.2
59.01366	2.9
59.64462	0.6
61.98828	1.2
69.08397	3.0
69.08789	1.3
71.01025	0.7
71.01366	4.7
73.02950	1.1
85.02957	2.1
95.01376	0.8
95.05022	9.4
96.95998	5.2
98.22671	1.3
101.02442	2.5
107.01357	3.9
108.02135	0.7
109.06590	1.1
113.02442	1.8
122.90018	0.7
123.00882	7.5
123.08136	0.8
124.01627	3.1
125.02441	24.1
133.06572	1.8
136.05334	0.9
137.02426	1.0
139.00313	0.7
141.01953	1.2
151.00352	3.2
151.07642	96.3
152.08012	2.0
161.04567	0.9
165.01950	0.8
168.00705	1.0
169.01416	24.6
177.05598	0.9
179.07074	1.6
195.06615	42.1
196.06914	0.9
249.06152	1.3
299.02203	0.6
313.05618	6.5
329.06702	1.5
332.98843	0.9
347.17102	1.1
357.11865	15.4
429.14005	1.0
463.41675	0.6
491.11227	0.9
509.13040	100.0
510.13443	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	509.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
61.98829	100.0
69.88111	0.6
69.88435	0.6
71.01396	1.8
71.71426	0.3
72.99296	0.8
73.02956	0.9
74.35040	0.4
85.02944	0.8
89.02426	0.8
89.19064	0.4
101.02456	1.3
108.02179	0.4
113.02441	0.5
121.02990	0.5
125.02490	0.5
138.05629	2.8
139.05969	1.9
140.06047	0.5
148.45302	0.3
153.34755	0.3
163.04044	0.7
175.31003	0.3
249.06245	0.5
288.83545	0.4
347.11484	0.6
349.06900	0.4
435.22455	3.6
442.52289	0.4
447.22409	1.3
449.17725	1.3
449.23938	0.8
471.14474	0.4
491.21198	0.7
509.19208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72860	0.4
54.53275	0.4
59.01386	0.6
66.51856	0.4
70.19750	0.8
71.01392	0.9
72.69812	0.4
72.99313	2.4
76.21401	0.4
92.32861	0.4
95.05033	0.4
97.02950	0.5
97.06573	0.7
109.06512	0.4
111.49963	0.4
124.01717	0.5
125.06064	0.7
125.09704	0.6
127.07680	0.8
134.03735	0.6
135.08138	0.8
153.05580	0.9
163.07632	2.6
165.05324	1.5
171.06641	0.9
179.07141	1.4
181.08698	0.6
191.06924	2.9
193.04807	44.1
194.05225	0.5
195.06622	2.7
197.08192	1.5
201.05299	0.8
203.06848	0.8
207.06519	1.9
217.04834	2.8
219.06410	4.7
221.08139	0.7
225.07680	2.1
229.04753	0.8
237.07584	2.8
243.08716	13.3
247.05838	2.5
263.04147	0.6
265.06924	100.0
266.07260	2.2
281.05289	0.8
283.06689	7.0
395.11996	0.5
419.12222	0.8
437.12915	2.0
491.13882	2.2
504.01727	0.4
509.14948	7.4
510.15472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04216	0.9
57.03444	1.1
59.01382	6.8
61.98838	5.2
71.01373	3.5
73.02940	1.7
79.45601	1.0
85.02952	2.1
88.95842	0.9
89.02493	1.3
89.53745	0.9
93.22016	0.9
94.26815	1.1
96.96005	1.2
101.02465	2.7
109.02925	3.9
113.02391	1.7
121.02927	1.7
123.00903	2.1
123.04525	3.2
124.01650	2.5
125.02451	9.4
125.09655	2.0
133.02890	1.2
136.01637	2.4
137.02477	2.0
137.09726	1.4
138.03233	1.3
139.04004	1.2
149.02499	1.3
149.06047	3.1
150.03351	1.0
151.00334	2.9
151.03928	1.3
153.01926	6.8
153.05452	1.2
161.02466	5.0
162.03230	3.7
164.01135	8.4
165.01917	2.3
165.09193	1.6
166.02679	2.9
167.03458	1.8
169.01512	1.5
173.91612	0.9
175.00378	2.8
175.07687	2.5
177.01909	2.4
178.02708	1.9
178.99857	6.4
181.05061	2.2
183.02817	1.3
189.01849	1.4
190.02750	8.1
191.03525	3.1
192.00644	100.0
193.01425	42.0
194.02194	10.8
199.09703	2.2
205.01350	6.7
205.05040	1.1
206.02167	5.7
207.02974	73.8
207.10335	1.6
209.04482	1.6
215.03453	1.5
221.00937	2.7
222.01718	4.6
223.09760	1.7
232.03719	2.5
234.01671	25.3
235.02252	1.8
237.04123	2.7
249.04044	21.4
249.06482	1.8
269.93390	1.2
291.05029	2.2
294.03824	3.1
301.03436	2.4
309.02664	1.0
309.06161	19.2
312.04886	5.0
319.04523	8.9
321.05472	1.6
327.07196	25.9
327.14120	0.9
345.02710	1.0
347.18674	1.5
447.09344	2.5
449.27618	2.6
463.21512	1.0
473.20267	3.5
509.16534	20.6
509.23349	2.2
509.29807	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	509.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61912	2.6
57.03447	3.6
59.01377	26.1
61.98831	38.4
66.79233	3.0
67.85791	2.4
69.23000	5.8
69.23385	7.5
71.01392	24.4
73.02943	9.5
81.03479	3.8
83.01376	4.4
85.02959	10.9
89.02469	7.5
96.60382	2.8
99.00877	3.2
101.02433	23.4
101.34944	2.7
109.02937	3.2
113.02462	10.6
123.04536	3.2
125.02456	12.8
135.04507	3.9
137.06079	3.5
153.01959	4.5
161.02498	4.0
161.04558	9.4
167.03470	6.8
179.11157	3.4
192.00670	6.6
193.01067	6.3
207.02843	4.3
209.04631	19.4
217.04944	3.6
239.05634	3.4
311.15057	5.9
463.21759	5.4
467.12619	3.7
473.20255	100.0
509.17853	17.3
509.24170	6.6
509.30414	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	91.8
61.98830	72.5
69.29906	26.0
71.01376	35.1
72.99306	7.4
73.02941	29.6
75.00866	8.6
81.07129	6.2
82.95388	10.4
83.01369	9.3
85.02944	17.7
87.00871	10.2
88.98798	14.5
89.02447	24.6
101.02444	50.1
103.04013	17.6
109.02936	10.8
113.02419	8.7
119.03551	11.5
121.02990	6.4
121.10244	82.8
125.02442	41.6
131.03473	6.9
137.06102	8.7
143.03574	8.1
153.01939	12.7
155.10837	10.9
161.02371	8.5
161.28604	6.6
163.06113	80.6
165.09196	100.0
167.03477	6.3
181.05023	15.7
197.46947	6.5
205.07182	8.3
207.10365	7.0
254.86638	7.8
264.65289	7.1
271.02554	9.7
300.02716	8.7
301.03238	8.1
307.10324	13.2
331.11844	13.5
343.07938	29.3
447.09470	18.5
473.20184	34.4
509.18198	39.6
509.27011	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	509.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.9
57.08183	0.7
59.01380	29.7
60.91639	0.7
61.98828	34.5
69.03467	0.8
71.01382	8.7
72.99308	2.5
73.02939	3.8
75.00874	8.4
77.49010	0.7
83.01398	0.8
85.02953	10.1
87.00877	2.8
89.02419	2.3
91.03980	0.8
91.50381	0.7
93.03436	1.0
95.01375	2.5
95.04994	1.1
97.06590	18.5
98.21867	1.6
99.00887	6.0
99.04533	4.6
101.02416	1.6
108.02153	1.3
109.44760	0.7
111.00863	0.8
113.02441	8.7
115.00369	1.2
116.92809	0.8
117.01944	1.2
121.02946	1.8
123.00836	0.8
123.04527	3.7
125.02441	1.3
129.01968	1.0
137.02338	0.7
137.09697	4.5
138.05589	1.4
141.05559	9.2
149.88322	0.8
153.01967	0.8
158.63620	0.7
168.57457	0.6
175.02473	0.8
175.92155	0.7
185.08089	0.8
197.11859	1.2
209.04478	1.2
212.62869	0.8
231.05063	1.1
249.06128	12.1
259.11777	1.5
267.07224	1.5
302.07538	1.3
317.10318	1.2
330.03674	0.7
333.15479	2.7
347.11356	3.1
389.03250	0.8
391.12427	2.1
435.22266	2.6
449.16772	3.5
449.23358	1.5
471.47729	0.9
491.17688	3.2
509.18707	100.0
510.19232	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	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03436	3.4
59.01377	23.9
61.98815	3.2
64.21684	0.6
67.53006	0.5
69.63905	1.6
71.01379	28.7
72.99317	0.9
73.02943	10.3
75.00878	0.6
81.03469	0.8
83.00921	0.6
83.01384	6.3
85.02947	14.0
86.00079	0.7
87.00880	1.9
89.02439	6.7
93.03429	0.5
95.01383	2.9
96.95969	0.7
97.02940	1.3
99.00894	3.0
101.02442	24.5
109.02940	1.9
111.00887	1.0
111.16577	0.6
112.01613	0.5
113.01701	0.8
113.02447	11.7
119.03495	2.1
121.02969	0.5
122.03756	0.6
123.00875	0.7
123.04541	1.2
124.01612	1.5
125.02452	16.3
126.02747	1.1
129.01889	0.5
131.03479	1.2
135.04538	0.7
137.02414	1.8
137.06090	0.8
138.03209	0.7
139.04015	0.8
143.03473	0.8
149.04588	0.7
151.00322	0.6
151.07607	1.5
152.01071	0.9
153.01921	1.1
159.02931	1.1
161.02483	3.9
161.04523	4.9
165.01979	0.6
166.02603	0.7
166.99950	0.6
167.03471	2.9
167.10703	0.5
168.00592	1.2
169.01453	4.4
170.01752	1.1
173.06090	0.5
175.04007	0.6
177.05608	0.8
179.07117	2.9
183.02980	1.7
185.04396	0.6
192.00687	0.7
195.68900	0.5
207.02966	0.6
210.01675	1.4
211.02487	1.1
213.03160	0.6
215.17914	0.5
225.04059	2.7
255.05182	0.6
269.04678	0.6
271.04596	1.4
272.05075	0.5
273.05038	1.9
285.06262	0.6
287.05594	1.7
303.18088	3.4
305.06674	0.7
319.08276	0.8
331.17514	1.0
341.08505	1.5
347.07556	0.7
347.17194	2.4
361.18481	1.0
463.21820	3.5
465.23480	1.9
471.09088	3.1
491.21082	0.8
509.22369	100.0
510.22839	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	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03436	2.5
59.01114	1.8
59.01382	22.4
61.98825	14.9
70.41157	1.6
71.01379	36.0
73.02946	14.4
83.01398	5.4
83.33199	1.2
85.02950	17.3
87.00896	1.9
89.02455	5.8
90.38996	1.1
95.01366	2.9
96.96011	3.3
97.02975	1.6
99.00886	6.5
101.02445	35.3
102.48427	1.1
113.02441	21.5
123.08181	6.1
125.02409	7.6
131.03500	16.3
131.33539	1.1
137.02478	1.3
141.09232	2.4
143.03529	3.3
159.02985	4.5
161.04550	26.6
163.52486	1.2
164.07196	1.5
169.01419	3.9
179.05589	1.4
185.08180	16.3
192.57205	1.1
209.08214	1.5
238.96877	1.1
257.10278	1.6
287.11362	2.2
329.06689	1.7
331.17609	100.0
332.17896	3.1
341.10971	1.2
347.13303	6.7
463.21869	91.8
464.21988	3.0
509.23230	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	509.2541
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
58.23431	0.7
59.77312	0.8
60.92366	0.8
76.73761	0.8
95.01390	2.3
98.22607	0.7
108.02148	3.2
109.02966	3.4
110.00078	1.5
111.00867	1.8
111.14246	0.7
121.02972	0.7
122.03730	0.7
123.00884	16.1
124.01691	8.0
124.45058	0.6
125.02449	0.9
136.05298	1.1
137.01445	0.9
137.02463	15.3
138.03148	1.3
139.00349	2.8
151.00336	1.3
151.03995	2.4
152.01135	2.0
163.04027	1.4
165.01935	11.9
165.05573	2.0
175.03986	0.8
177.05580	2.6
179.03517	2.1
179.07114	2.4
190.06380	0.7
191.07146	1.6
193.08669	3.2
203.03438	0.7
221.08176	1.1
247.13397	1.4
275.12866	0.8
277.42636	0.7
287.16458	1.5
301.18033	1.3
407.22034	0.8
449.23364	4.1
459.21341	1.1
463.24863	1.6
467.24445	4.9
477.22910	8.5
481.26169	6.0
491.24478	1.2
509.25412	100.0
510.25665	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	509.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63275	0.4
57.07857	0.4
61.98827	0.7
65.03975	0.7
69.42216	0.9
69.42616	0.9
73.03014	0.4
81.03466	0.4
81.12815	0.4
93.03471	1.0
95.01376	0.6
96.02141	0.4
97.02970	0.9
100.85521	0.4
107.05036	1.1
108.02176	25.9
109.02948	7.1
111.04526	0.7
121.02954	4.8
122.03746	3.5
123.00916	0.6
123.04505	0.7
124.01654	9.7
134.03728	2.6
135.04527	0.8
137.02441	1.6
138.03220	1.1
148.05272	0.9
150.03160	0.4
151.04001	7.7
161.02397	0.8
163.03990	7.8
164.04733	2.1
174.03075	0.5
175.03952	1.0
176.04816	0.7
177.05568	0.7
196.03784	0.7
251.56990	0.5
272.07709	0.4
339.19101	1.4
367.13684	0.6
381.24396	0.9
395.25931	0.9
407.22162	3.4
421.23816	1.6
423.25424	1.1
425.23471	2.7
431.22183	1.7
439.24829	1.9
449.23303	30.6
450.23602	1.8
467.24365	100.0
468.24719	4.7
509.25507	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02860	1.2
54.26460	1.4
59.01379	100.0
61.98821	5.5
69.24615	3.3
69.25018	2.9
71.01380	27.1
72.99301	2.2
73.02945	26.9
82.95451	1.2
83.01372	2.0
85.02940	11.3
86.00072	1.3
87.00874	8.0
87.04528	3.8
89.02447	23.2
91.54759	1.4
94.69048	1.4
101.02447	43.7
103.04010	15.5
113.02462	5.3
115.04012	8.4
119.03516	10.8
125.02438	4.5
127.04020	1.8
131.03462	10.2
143.03481	9.7
145.05054	5.7
161.04533	1.3
163.06119	69.8
179.05632	2.9
180.62738	1.2
205.07126	20.3
213.14949	3.8
235.31604	1.2
265.09238	6.5
301.03635	1.9
337.85959	1.2
447.09244	2.3
449.23904	23.6
489.38626	1.4
509.16696	2.0
509.27890	3.0
509.34921	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	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59871	0.4
61.00489	0.5
69.94292	0.7
69.94602	0.7
78.95900	21.5
95.75433	0.4
96.96964	1.7
150.91704	0.4
152.99585	31.9
169.62007	0.5
171.00677	1.2
227.03262	4.0
243.56013	0.5
281.24844	100.0
282.25305	2.8
343.43909	0.5
417.23981	0.6
509.28824	65.1
510.29272	1.8
534.82898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55275	0.4
67.75202	0.4
70.68356	0.8
78.95900	18.9
96.96957	1.1
125.55230	0.4
125.75713	0.4
144.30991	0.4
152.99590	29.7
171.00648	1.4
184.42719	0.4
196.89558	0.6
227.03233	3.6
245.04263	0.9
266.04291	0.5
281.24847	100.0
282.25165	3.0
386.07104	0.4
417.24078	0.7
429.37198	0.5
473.36255	1.1
509.28815	64.5
510.29111	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
74.33858	0.4
76.39800	0.4
78.95902	21.9
95.56476	0.4
96.96970	2.2
141.77481	0.3
143.41994	0.3
150.98070	0.7
152.99585	33.5
171.00615	1.6
196.89499	1.0
227.01149	0.6
227.03197	3.9
245.04272	1.3
281.24844	100.0
282.25186	1.8
287.44040	0.4
345.53302	0.5
407.42502	0.4
417.24384	0.6
509.28836	64.0
510.28918	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	509.2905
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
51.02595	0.2
55.01876	0.5
59.01349	0.3
63.54592	0.2
65.78445	0.2
66.42146	0.2
67.01877	0.2
69.41375	0.7
73.71312	0.1
95.01374	0.5
96.02157	0.5
109.02946	1.9
110.03725	1.6
111.00909	0.2
123.00876	3.7
123.04512	2.1
124.01657	2.1
125.02450	0.8
136.01714	0.2
136.05272	0.4
137.02440	15.0
138.03242	4.3
139.03966	0.2
142.02702	0.4
145.67393	0.2
149.06061	0.4
150.03122	0.1
151.00377	0.3
151.03999	8.1
152.01147	0.2
152.04646	0.2
153.01978	0.3
160.05382	0.1
160.84166	0.6
163.07635	0.2
164.04793	0.2
165.01886	0.6
165.05563	1.1
166.02707	1.8
166.06416	0.2
167.03511	0.5
175.04024	0.2
176.04819	0.2
177.05565	0.3
179.03491	4.7
179.07115	0.3
180.04201	0.5
189.05576	0.3
191.07155	0.3
191.10735	0.2
193.05061	1.5
193.06598	0.2
193.08609	0.8
198.01672	0.4
204.07866	0.3
205.08646	0.4
207.10243	1.4
219.10237	0.2
221.08171	0.3
221.11929	0.2
222.08836	0.2
227.04558	0.2
235.09857	0.6
236.10561	0.4
247.13341	0.4
249.11296	0.3
259.13342	0.2
261.14886	0.5
275.16287	0.1
287.16260	0.2
289.14368	1.2
293.17612	2.2
301.14792	0.2
301.18073	0.7
315.19574	0.6
329.17450	0.5
329.21243	1.0
343.19250	0.9
357.20627	1.1
397.27304	0.2
404.52585	0.2
428.89804	0.1
451.25226	0.3
463.28604	0.5
479.25424	0.3
481.29572	8.3
482.29810	0.5
491.28015	1.6
494.27283	0.5
509.29047	100.0
510.29465	4.5
510.49820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52293	1.8
63.29404	1.7
69.31038	10.1
98.21886	3.8
113.41103	1.8
120.62806	2.1
122.03735	2.8
123.04527	20.5
137.02480	2.2
138.03232	7.8
151.04042	15.3
152.04765	3.7
164.04721	2.1
165.05527	15.7
182.26791	2.1
221.11926	2.6
315.19699	5.3
414.64203	1.9
477.30243	3.4
479.28116	6.4
494.30359	78.5
495.30957	3.7
509.32755	100.0
510.33408	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
55.00627	0.9
61.98833	12.0
66.55286	0.6
73.90925	0.7
81.08306	0.7
92.67618	0.8
98.22697	1.3
107.01398	1.8
109.02971	1.0
120.01944	0.8
121.02965	2.6
151.00378	10.0
163.00412	3.2
178.99867	4.7
196.72298	0.8
211.04010	1.4
227.03503	1.0
229.04930	1.4
243.02971	4.6
245.04573	1.5
255.02989	15.4
270.99484	1.7
271.02475	31.7
272.02963	2.0
273.04031	1.1
283.02347	1.0
289.72354	0.9
300.02744	64.9
301.03519	42.8
301.07062	1.3
345.49603	0.8
347.65189	0.9
399.05615	0.9
447.09302	100.0
448.09805	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
58.28997	0.8
59.01370	5.5
61.98829	100.0
65.00298	0.9
69.37159	4.4
71.01379	2.4
73.02969	1.1
83.01384	2.2
85.02966	1.2
89.02437	1.3
91.01846	1.1
101.02406	1.3
104.51803	0.9
107.01354	1.8
108.02233	1.4
109.02946	8.5
111.04530	1.3
119.84146	0.9
121.02940	2.6
123.04566	1.8
124.01709	2.2
124.33699	0.9
125.02444	12.6
126.02788	2.4
133.02982	1.5
137.02448	1.4
139.04021	1.5
148.01625	1.0
149.02371	1.1
149.06088	1.6
151.00378	8.5
153.01930	9.7
154.02254	2.6
161.02425	1.8
163.00385	2.0
165.01939	1.4
167.03487	1.8
168.00629	3.4
168.88426	0.9
169.01453	1.5
175.00331	2.4
177.01942	2.2
178.99873	6.9
183.02946	4.2
185.57266	1.0
189.01932	1.6
189.05527	2.5
191.03479	3.4
192.00621	3.5
193.01414	10.1
194.01761	6.7
194.60901	1.0
207.03044	1.9
211.04045	1.4
217.01375	3.6
227.03459	1.6
233.04568	3.3
243.02953	3.3
255.02950	11.2
271.02487	22.5
272.03000	1.2
273.04132	1.1
285.04108	9.1
300.02744	41.0
301.03516	28.4
302.03787	1.6
319.04440	3.6
320.04889	8.6
357.06009	1.8
371.07803	1.4
408.17496	1.0
447.09290	74.5
448.09680	2.9
509.29678	1.7
510.13171	1.7
511.12384	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	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03470	0.5
59.01381	5.5
61.98828	100.0
67.01971	0.5
69.27538	0.9
69.27956	2.1
71.01373	1.8
80.91724	0.5
81.21536	0.5
83.01398	0.6
85.02934	0.5
89.02460	1.1
93.03477	0.5
98.21874	1.1
101.02439	1.1
107.01380	0.7
109.02956	1.0
109.81559	0.5
113.02418	0.7
121.02913	0.9
125.02418	2.4
135.00877	0.5
137.02455	0.6
137.06503	0.5
151.00356	3.3
158.11885	1.8
161.02544	0.7
161.04716	0.5
163.00365	0.5
178.99901	1.6
192.00655	3.1
193.01270	1.8
194.01682	0.8
207.03026	1.9
210.05070	0.6
223.06049	0.5
243.03001	1.6
255.02957	4.6
271.02487	8.5
300.02734	16.2
301.03476	13.7
302.03812	0.7
312.18185	2.7
320.04907	0.8
329.23389	1.6
330.23605	1.0
447.09332	28.0
448.09644	0.8
509.30124	1.6
510.30231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54013	0.5
61.98827	100.0
68.25716	0.4
80.07086	0.4
93.83815	0.5
96.96017	0.6
103.15471	0.4
111.86666	0.4
125.02353	0.5
163.41994	0.4
167.03467	0.5
169.01433	0.8
172.65266	0.4
179.37686	0.4
319.04495	0.6
356.77612	0.4
450.16342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25123	1.2
57.14346	1.3
59.01369	7.8
60.01710	1.3
61.98827	2.5
65.06311	1.3
71.01377	2.6
75.00850	1.8
85.02940	2.0
94.68812	1.4
99.00906	1.6
106.06644	2.5
108.04559	6.7
108.08182	2.9
109.02961	1.2
110.06118	2.7
113.02428	2.0
121.05306	1.6
122.06139	1.5
125.02442	5.1
127.00366	4.2
134.06128	4.1
136.07669	9.8
144.50632	1.1
152.07155	8.1
155.10759	4.4
156.11133	4.0
160.07639	3.0
161.02391	1.7
162.09256	8.6
168.00557	1.4
169.01456	2.3
180.06657	36.7
192.00598	3.7
193.01125	1.9
206.08250	1.6
207.02898	1.5
225.10294	4.3
238.11014	1.3
239.11848	5.9
239.59795	1.2
253.09827	14.4
253.13358	1.8
255.11266	1.5
266.10565	3.6
267.11383	12.0
281.13031	6.6
282.13736	9.4
326.12698	3.4
360.74939	1.4
376.16833	1.7
405.17453	1.5
406.17862	4.4
420.19138	3.5
436.18768	4.6
447.86716	1.3
448.18750	22.1
450.17087	3.8
466.19778	100.0
467.20227	5.7
510.18961	10.1
511.10788	4.3
511.19064	1.2
520.00269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85648	0.1
55.44160	0.1
55.51021	0.1
59.01360	0.4
61.98827	100.0
62.55652	0.1
66.60032	0.1
69.24961	0.3
69.25366	0.6
85.55773	0.2
93.91854	0.1
122.88094	0.2
125.02477	0.4
136.95126	0.2
139.54712	0.1
300.02740	0.2
447.09393	0.3
510.24438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98877	0.2
59.01377	0.5
61.98830	100.0
69.47528	0.5
69.47937	0.4
85.02917	0.2
98.21857	0.3
101.02437	0.2
125.02435	0.2
175.88115	0.2
232.95410	0.2
261.47540	0.2
300.03021	0.2
313.18179	0.2
317.18729	0.3
318.19064	0.4
349.20413	0.6
447.09616	0.3
449.24176	0.2
450.23599	0.2
454.25836	0.2
467.88300	0.2
511.25876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04810	0.3
61.48302	0.2
61.68241	0.2
61.98830	100.0
69.28133	0.8
72.20314	0.3
72.67276	0.2
76.02416	0.3
95.10122	0.2
99.09662	0.3
117.56075	0.2
124.01663	0.3
158.74258	0.2
176.93895	0.3
183.03000	0.9
212.57814	0.2
257.41043	0.3
277.67285	0.3
450.22452	0.3
520.68817	0.3
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
54.29813	0.3
59.01376	1.1
61.98828	100.0
69.37879	1.4
71.01389	0.3
98.22584	0.6
132.06537	0.3
147.93474	0.3
160.84213	0.3
209.21880	0.3
300.03079	0.3
341.51523	0.3
447.09613	0.5
510.13614	0.4
510.23746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20478	0.3
59.01373	0.3
61.98828	100.0
70.97638	0.4
71.01358	0.4
73.30015	0.3
79.15125	0.3
85.02959	0.4
125.02454	1.4
161.02502	0.3
182.27728	0.3
217.88873	0.3
228.08153	0.3
373.60074	0.3
426.77292	0.3
451.87604	0.3
479.86563	0.3
510.24817	0.4
511.18326	0.5
530.06158	0.3
535.58881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61103	0.6
55.42173	0.6
57.03440	5.2
57.85151	0.7
59.01353	1.9
65.00325	8.9
71.01379	1.9
79.95779	0.7
81.03442	1.9
83.01390	8.7
96.96027	4.9
97.02947	1.6
98.22679	1.4
99.93105	0.6
107.00714	1.0
107.01393	17.0
108.02158	1.0
109.02927	2.4
111.00914	0.8
113.02460	0.7
121.02938	3.6
123.00859	2.4
124.01656	7.2
125.02444	38.8
131.01385	0.9
137.02438	3.8
138.03195	1.9
139.00400	0.9
139.04022	6.0
149.02402	1.6
151.00369	61.9
152.01022	1.2
153.01947	3.2
153.05580	1.8
155.03423	0.7
165.01944	3.2
166.99837	2.0
167.03438	1.5
168.00632	5.2
168.01872	0.8
169.01419	27.7
175.00333	5.8
181.01390	3.7
182.02235	4.2
183.02998	9.9
192.00655	1.9
193.01393	4.6
194.02292	0.7
196.03793	5.5
197.04527	3.2
209.66809	0.7
211.02472	11.0
224.03262	3.4
225.04030	3.8
239.05551	2.8
241.03542	2.2
255.05049	1.1
269.06741	0.9
271.04620	10.7
281.38016	0.7
285.06158	0.7
312.04733	0.8
326.06381	0.8
327.07242	3.6
344.07272	0.9
345.08072	1.0
359.09875	3.4
467.11774	2.9
479.08002	0.8
511.10861	100.0
512.11426	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	511.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95754	0.6
51.63858	0.6
59.01380	3.4
62.81206	0.6
65.00306	0.8
71.01370	7.0
72.01717	0.9
73.02947	2.8
82.00618	0.7
83.01379	1.6
85.02947	2.7
89.02444	1.6
96.02175	0.7
98.22759	1.4
101.02427	4.2
107.01390	0.9
109.02961	2.6
111.00883	1.7
113.02448	2.7
121.02948	1.4
123.00871	2.1
123.04507	1.2
124.01661	28.6
125.02464	5.4
134.03822	0.6
136.01666	5.5
137.02415	4.4
137.06078	1.1
138.03229	26.4
139.00380	2.0
139.04025	6.1
140.01149	1.1
148.01672	1.6
148.88348	0.7
149.02342	1.0
150.03252	1.8
151.00352	4.0
151.04022	1.5
152.01161	21.0
153.01971	4.0
153.05542	1.2
161.02472	1.0
161.04517	3.4
162.04799	0.9
163.04002	1.0
164.01147	2.2
165.01880	1.9
165.99028	1.2
166.02705	17.5
166.99870	2.2
167.03470	1.8
168.00647	10.3
169.01402	3.3
169.05014	1.7
170.54971	0.7
175.56218	0.7
177.01917	2.0
178.02710	8.4
178.99832	1.1
179.03421	0.9
180.00639	53.9
181.01210	0.7
181.05070	3.3
182.02200	3.6
183.02985	11.6
186.31557	0.7
189.01985	0.8
190.02711	2.0
191.03447	1.0
192.00655	8.9
193.01392	7.4
193.04988	1.8
194.02197	6.6
194.99342	16.6
195.02986	18.7
196.03766	10.7
197.04509	2.2
205.01424	4.2
206.02219	2.1
207.02960	5.4
208.03723	2.0
209.00850	3.6
209.04483	0.8
210.01703	6.6
211.02460	0.9
211.06065	2.5
221.00917	2.9
222.01680	10.2
223.02464	1.5
225.01764	1.1
225.04024	22.1
229.11131	0.6
232.03682	2.6
232.98157	0.7
234.01634	6.6
235.02225	0.8
237.04042	13.2
240.02742	1.4
241.03543	0.9
247.06116	0.9
249.04036	4.1
250.04761	2.5
253.03416	1.2
255.05095	18.6
267.05157	2.1
273.26849	0.9
276.02646	2.0
291.05063	2.1
294.03821	2.4
309.06085	2.9
312.04846	11.2
313.05624	1.7
327.07211	46.3
328.07578	1.3
331.17670	1.4
332.17838	1.9
333.19388	0.8
345.08035	0.9
463.21915	5.1
464.22180	13.2
465.22659	6.9
493.09741	1.9
496.08582	5.6
511.10895	100.0
512.10876	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	511.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.98819	1.5
63.69688	0.5
69.03439	1.0
69.29193	2.4
71.01379	1.0
72.99311	1.3
73.02949	0.9
81.03461	2.1
84.64348	0.4
85.02972	1.0
89.02452	1.1
94.98087	0.8
95.01406	1.1
96.96019	2.0
97.02953	2.0
101.02479	1.3
106.00561	0.7
107.01431	1.0
109.02982	0.7
116.92861	0.5
121.02944	6.4
123.00887	3.3
124.01668	7.2
125.02442	80.4
126.02824	1.0
137.02458	0.6
138.03233	1.2
139.00290	0.9
139.04008	1.1
145.49561	0.5
153.01962	1.3
153.05573	4.6
166.99849	2.0
168.00648	9.6
169.01418	100.0
170.01808	1.2
172.23651	0.5
177.01935	0.9
181.01508	0.6
182.02206	2.3
183.02992	4.2
193.01314	0.7
197.04532	8.2
211.02464	1.9
313.05551	2.4
327.07184	1.7
331.06647	10.0
341.08746	0.8
361.12833	0.4
375.95990	0.5
467.11853	1.3
511.10855	58.5
512.11139	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	511.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.01372	2.4
60.99323	0.3
61.98828	100.0
71.01382	1.0
72.97521	0.6
73.28495	0.2
74.50087	0.2
74.97116	0.5
78.91920	0.3
83.01405	0.8
84.04543	1.9
85.02940	0.4
86.06116	0.5
88.04045	5.2
88.98816	1.7
89.02461	1.1
96.96030	0.7
98.06129	0.4
101.02457	0.7
105.03468	0.3
109.02956	0.8
118.05086	0.6
119.03521	0.3
123.00853	0.3
123.04503	0.4
124.01680	0.8
125.02446	11.3
130.05096	3.1
137.02448	3.1
138.03218	0.3
139.00410	0.3
139.04036	0.4
150.03218	0.5
151.04015	1.8
152.01178	0.4
153.01990	0.6
160.06152	24.4
161.02451	3.3
161.06516	0.3
164.01256	0.3
165.01945	1.1
165.05571	0.8
167.03494	1.8
169.01450	0.6
177.01921	1.2
177.05603	0.8
179.03519	0.6
195.02982	0.3
197.06114	0.3
219.06677	0.4
243.06609	0.2
269.04691	1.0
276.99622	0.3
287.05603	3.3
297.06274	0.5
301.03806	0.3
303.08923	0.7
305.06641	5.0
306.07318	0.2
331.08163	4.1
331.11743	0.3
347.23816	0.2
451.25452	0.4
511.14127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21577	0.5
50.58601	0.5
52.69645	0.6
57.03446	13.4
59.01382	3.2
61.98828	31.4
69.47002	1.2
69.47404	2.0
71.01369	1.3
81.03450	1.9
82.59949	0.5
82.95412	0.8
83.01389	3.1
85.02937	0.7
93.03477	0.7
95.01389	0.7
95.05030	2.2
96.96011	1.4
97.02950	1.0
101.02448	1.5
105.03455	4.0
109.02959	2.5
110.00970	0.5
111.04546	1.0
112.98529	0.6
113.80489	0.5
121.02962	1.9
123.00897	1.9
124.01666	7.9
125.02446	100.0
126.02739	0.8
133.02968	1.2
135.04570	0.7
137.02443	10.4
138.03195	0.8
139.00378	0.9
139.03993	3.0
145.06601	0.6
149.02451	4.1
149.06050	0.7
150.03297	0.6
151.04010	0.7
152.01132	0.8
159.04506	0.7
161.02443	42.0
162.03159	1.3
163.04079	1.1
164.01161	1.2
164.04779	2.3
165.01929	8.9
166.02657	0.9
167.03514	3.2
168.00644	23.2
169.06523	0.6
173.06017	0.7
175.00426	1.2
175.04068	1.3
177.01889	0.9
177.05534	3.6
178.02716	0.7
179.03490	2.7
179.07123	1.2
180.00633	1.0
183.02985	24.8
188.73097	0.6
190.02762	3.1
191.03539	2.1
192.00662	1.8
192.03836	1.1
193.01450	2.5
194.39206	0.6
201.05569	1.6
203.03496	0.7
205.05104	2.2
207.03075	1.2
208.03801	3.3
219.06554	2.9
221.04568	1.5
223.06134	12.5
227.03526	0.9
234.51031	0.6
243.06635	1.2
269.04565	2.4
287.05545	3.7
305.06659	26.6
327.07321	1.6
341.10309	1.0
345.09769	2.7
348.22009	0.8
349.16690	0.9
385.09500	0.8
448.09772	1.9
473.20404	1.6
511.12067	1.2
511.18369	2.4
511.25299	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	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03444	5.4
59.01378	25.3
60.36741	0.6
61.98816	1.6
65.00318	1.1
65.03961	2.3
67.01890	1.9
69.03445	1.0
70.34569	0.4
71.01384	15.5
73.02946	1.9
78.91873	1.4
81.71407	0.5
83.01382	9.3
83.05024	0.9
85.02958	3.1
87.00878	1.2
88.98792	1.1
89.02447	12.1
89.03941	0.9
93.03454	1.0
95.01395	1.4
96.96010	3.9
97.02942	0.6
99.00909	0.7
101.02441	8.9
107.01427	0.8
107.05029	5.9
109.02952	10.5
111.00875	1.3
113.02442	4.9
119.03491	5.2
120.03857	0.5
120.62109	0.5
121.02963	1.2
123.00892	4.5
123.04555	0.8
124.01665	10.1
125.02446	41.0
127.00374	0.7
131.03549	1.0
133.02956	2.9
136.98854	0.8
137.02444	44.2
138.03224	8.5
139.00369	2.7
139.04034	1.5
143.03520	2.0
145.02988	0.7
149.02423	1.6
150.03230	3.9
151.00375	2.3
151.04002	41.2
153.01941	0.6
153.05536	5.2
154.02676	0.6
161.02457	0.7
161.04549	2.3
162.03198	2.1
163.03989	0.5
165.01904	1.7
165.05603	1.5
166.02705	1.2
168.00645	1.2
169.01451	3.3
175.00389	1.5
176.01207	1.1
177.01924	22.0
177.03487	1.1
177.05553	1.5
178.02562	0.7
179.05595	4.5
180.00629	1.4
180.04208	0.6
183.02992	1.2
187.03903	1.0
190.02756	1.9
191.03506	2.7
193.01318	0.8
195.02963	4.5
195.06567	1.0
196.03810	0.9
197.04575	0.9
205.05019	1.7
206.05972	0.5
208.03705	0.9
211.02463	1.1
211.06017	0.7
215.03496	3.0
217.01357	0.7
221.06607	1.6
221.08443	0.8
223.06131	0.7
229.05092	1.1
229.15044	0.5
240.04315	0.8
242.02330	0.6
245.08174	0.6
256.03845	1.1
257.04449	3.7
259.09842	0.6
263.07761	0.9
272.06763	2.9
273.04092	1.3
283.02454	0.8
284.03244	1.4
285.04071	2.1
286.01215	1.4
287.09027	0.6
288.06409	1.5
301.03522	1.5
303.08734	18.5
316.05887	2.1
327.07114	0.7
331.08212	100.0
332.08597	4.1
349.18542	2.7
359.09918	1.7
373.11340	2.8
385.11429	1.8
511.14426	19.3
511.23810	6.0
512.15131	0.8
537.31299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12199	1.2
55.01856	1.4
57.03451	5.8
59.01380	42.4
62.23896	1.1
65.03961	1.8
67.01864	1.4
69.03467	1.5
71.01382	24.7
72.99301	1.3
73.02940	3.3
73.85550	1.1
75.00869	1.4
79.95747	1.7
83.01382	9.9
85.02958	7.8
87.00869	2.2
89.02444	24.5
89.03970	1.1
93.03440	1.9
95.01376	4.1
96.02209	1.2
96.95376	2.1
96.96011	43.2
97.02944	1.1
97.40672	1.0
99.00908	1.3
101.02436	16.1
103.47636	1.0
104.94852	1.2
105.77284	1.0
107.05037	5.6
109.02967	11.0
111.00880	1.8
113.02438	11.8
115.13554	1.0
117.56056	1.1
119.03501	10.2
121.02894	1.2
122.03790	1.3
123.00890	5.8
123.04496	1.2
124.01672	11.1
125.02444	42.3
133.02933	3.6
136.98993	1.3
137.02448	46.8
138.03229	10.7
139.00357	3.0
139.04005	1.7
143.03525	1.8
149.02383	2.0
150.03207	4.8
151.04005	36.1
151.07677	2.5
153.05585	7.5
161.04526	4.2
162.03229	4.7
165.01974	2.2
166.02687	1.3
167.03464	1.2
169.01439	2.5
176.01157	1.2
177.01910	24.9
177.05528	4.1
179.05615	8.0
180.00603	1.5
180.04195	1.3
181.08705	1.3
183.02971	2.2
190.02733	1.8
191.03441	3.6
193.01369	1.2
195.02925	4.4
195.06606	1.8
205.05017	2.2
215.03468	2.1
217.04996	1.2
225.03818	1.2
229.05101	1.6
230.05838	1.4
249.06076	1.8
256.03748	1.3
257.04507	3.2
267.07175	5.7
272.06934	2.7
284.03256	2.9
285.03879	1.9
301.03656	2.3
303.05457	2.2
303.08676	19.9
316.05771	2.5
327.07083	2.2
331.08209	100.0
332.08417	2.7
349.18671	5.2
369.97903	1.3
373.11276	2.0
419.47888	1.2
431.15503	7.5
473.07132	1.3
511.11600	23.3
511.23923	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	511.1719
Annotation	Pumiloside
Peak:m/z	Relative Intensity
56.58203	1.2
58.51476	1.1
59.01379	2.5
61.98813	8.4
69.60845	1.3
69.62509	3.6
72.00904	6.3
93.03471	3.8
98.21888	2.0
100.00405	52.8
102.23760	1.3
107.01369	1.6
109.02959	4.4
111.04501	4.1
116.05087	6.1
117.03450	6.4
119.05026	76.4
123.00886	2.2
125.02435	7.2
130.06601	6.5
133.02982	1.6
139.04018	4.1
142.06624	45.4
143.06870	1.5
145.02946	53.5
145.04097	2.8
146.06113	4.2
147.04535	3.1
151.00487	3.1
152.01105	1.6
157.07684	13.0
159.09280	5.7
162.05603	1.8
167.03438	1.7
174.05611	2.7
176.07170	3.7
177.01912	7.6
178.99800	1.6
181.07715	1.7
185.07242	4.1
186.05594	32.2
186.07147	2.1
189.01918	10.4
199.08730	1.9
203.08284	1.9
216.00716	2.6
217.01385	13.7
220.06117	1.4
229.06171	65.2
231.02884	1.9
233.04520	1.7
255.03000	3.2
256.03433	1.9
271.02463	3.1
272.02841	8.3
277.13797	1.4
300.02750	7.7
301.03180	17.6
302.03821	10.4
305.12878	8.3
311.18735	3.5
343.08298	1.5
349.11905	90.0
350.12201	2.3
356.05249	1.5
357.06128	17.9
371.07709	17.4
398.73465	1.5
448.09634	34.8
511.17438	100.0
512.17847	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	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72292	1.6
50.83384	1.8
51.83305	1.4
59.01367	11.3
60.99307	3.1
61.98833	7.8
69.25790	9.2
71.01388	6.1
73.02955	2.2
75.00871	5.1
83.01390	1.8
85.02972	2.9
88.98805	13.4
89.02459	3.5
95.01384	1.8
101.02473	2.5
103.41624	1.6
109.03021	3.8
111.94918	1.7
123.00925	3.0
124.01672	23.4
125.02451	20.0
136.01704	4.7
137.02483	5.6
138.03224	33.2
139.04022	3.5
139.59126	1.6
148.01663	1.9
149.02533	2.3
149.99585	3.1
150.79926	1.8
151.00414	2.7
151.04012	2.7
152.01158	17.7
153.01961	6.5
161.02432	2.1
164.01230	1.8
166.02721	23.4
166.58728	1.9
167.03497	3.4
168.00661	12.0
169.01416	6.9
177.02007	3.2
178.02710	5.8
179.03471	2.1
180.00633	48.3
181.05124	4.4
182.02351	2.2
183.03015	5.0
189.02200	1.7
190.02821	2.1
191.03575	2.6
192.00697	5.5
193.01399	8.7
193.05174	2.3
194.02208	2.0
194.99313	14.9
195.02982	12.4
196.03755	6.2
205.01448	1.7
206.02327	2.4
207.02969	2.9
210.01830	3.3
211.06143	3.0
221.00980	2.6
222.01698	8.2
225.04030	19.0
232.03734	2.4
234.01689	9.8
237.04039	9.2
249.04118	4.0
255.05119	10.1
287.74960	1.7
301.03314	2.9
312.04794	8.1
327.07196	39.9
349.12222	3.3
399.00104	2.1
407.50586	1.6
438.13382	2.0
448.09421	8.2
451.33414	1.9
467.19391	2.9
496.16156	3.2
511.18356	100.0
512.18872	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	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07666	0.5
57.03453	4.4
59.01361	2.1
61.02025	0.5
61.98828	8.6
69.03433	0.5
69.21017	3.2
78.91881	13.9
81.03488	0.7
83.01376	2.1
89.96078	0.5
95.01374	0.9
95.05046	0.6
96.96013	1.7
105.03453	1.0
107.56438	0.5
108.86212	0.5
109.02909	0.6
111.00892	1.6
121.02976	0.8
122.03737	0.5
123.00852	2.6
123.04556	0.6
123.50980	0.5
124.01660	27.3
125.02446	35.4
126.02811	0.5
137.02414	3.6
139.00349	1.9
139.04016	1.8
140.01244	0.6
141.01720	0.6
147.04556	0.6
149.02403	1.9
151.04066	1.1
152.01085	0.6
159.32413	0.5
161.02454	13.9
164.04761	1.0
165.01936	2.9
167.03516	1.9
168.00633	88.0
169.01053	1.0
177.05545	1.4
179.03476	1.4
179.07141	0.7
183.02979	100.0
184.03284	1.7
190.02670	0.7
193.01331	0.8
201.05566	0.7
205.05107	0.7
207.02798	0.7
208.03813	1.5
219.06647	0.8
221.04584	1.1
223.06076	4.3
227.03543	0.9
237.62772	0.6
269.04489	1.1
278.11707	0.6
284.03336	1.1
287.05664	1.6
301.03168	1.1
305.06668	7.5
327.07275	1.0
341.10294	1.0
431.10049	1.3
448.09598	2.3
449.25543	0.6
493.53851	0.6
507.35968	0.6
511.18143	2.7
511.25284	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	511.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01379	20.5
61.98831	31.9
69.25144	1.8
69.25549	3.5
71.01381	9.1
72.88059	0.8
73.02942	4.5
75.00877	1.5
78.98586	5.6
79.95728	7.9
80.56419	0.8
80.96518	55.2
81.03430	1.6
83.01405	1.5
85.02962	4.7
87.00849	2.7
87.04504	1.3
89.02435	1.6
94.98087	12.8
96.96002	4.7
97.02944	2.4
98.21846	2.0
99.00877	1.6
101.02423	5.6
106.98056	1.6
109.02937	1.2
113.02434	3.2
122.97582	4.7
123.04530	28.3
123.08129	1.0
125.02445	13.8
132.56894	0.8
134.97552	3.8
136.95891	0.8
136.99181	1.6
137.09712	1.2
139.07610	0.9
145.02956	1.2
148.99127	3.8
151.00259	1.4
152.98624	5.9
153.01863	1.8
155.10750	7.5
159.08090	0.9
161.02461	5.2
161.04543	0.9
164.98639	11.0
167.00063	0.9
168.06519	0.8
169.01468	1.9
182.99680	2.4
192.00604	3.7
193.01251	1.0
199.09784	5.9
203.07195	2.1
206.99658	2.7
207.03053	1.9
211.13417	4.4
225.00729	16.2
241.10757	1.2
243.01688	1.8
260.11383	0.8
283.11838	2.5
287.05551	2.6
299.04462	3.2
301.03015	1.2
327.07224	0.9
343.14215	1.6
369.07806	1.1
449.48193	0.9
451.26855	1.3
460.10046	1.1
461.20535	1.0
467.19318	7.3
473.10938	1.0
475.12158	2.5
511.18491	100.0
512.18701	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03762	0.9
57.03428	2.1
59.01375	27.0
61.98824	30.4
62.98529	1.1
69.03443	1.0
69.23756	5.2
71.00979	1.1
71.01373	9.5
73.02930	4.7
75.00871	1.1
77.39217	0.9
78.98589	4.4
79.95727	6.9
80.96513	54.1
83.01367	1.7
85.02937	5.2
87.00845	3.0
87.04510	2.8
88.98804	0.9
89.02435	1.6
94.98083	14.0
96.96014	4.6
97.02923	2.0
98.21907	2.3
99.00838	1.8
101.02443	7.4
106.98049	3.2
108.02160	1.1
109.02950	1.4
113.02460	2.1
122.03745	2.1
122.97598	4.1
123.04517	54.7
123.78973	0.8
125.02438	16.3
127.03986	1.3
134.97585	4.7
136.99060	1.5
137.02394	1.6
137.09689	3.1
139.03957	1.0
139.07623	1.0
143.10742	0.9
145.02914	1.6
148.99123	4.8
152.98625	7.1
153.01938	1.0
155.10773	14.2
159.08203	0.9
161.02409	3.8
163.11241	1.1
164.98593	9.1
167.03535	1.0
169.01389	3.4
179.10733	1.3
181.08664	1.5
182.99670	1.8
191.10757	1.5
192.00574	6.3
193.12267	0.9
195.10240	1.0
199.09744	10.2
199.13414	0.9
203.07040	1.6
206.99654	3.3
207.02899	2.9
211.13383	3.6
225.00735	17.2
234.01414	1.0
241.10811	3.6
243.01706	2.5
249.04001	1.0
253.10594	1.6
283.11942	4.9
299.04327	2.5
301.03265	1.0
305.06662	1.1
327.31158	0.9
343.14114	2.5
396.79413	0.9
435.17365	1.1
437.25452	1.0
448.09659	3.1
451.26743	1.1
462.39651	1.0
467.19174	13.4
473.10800	2.0
475.12225	1.6
481.24716	0.9
511.18411	100.0
512.19061	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	511.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	21.5
60.41666	25.1
69.34670	92.9
76.67560	20.1
79.97455	17.2
81.03549	23.4
98.21883	42.9
99.03352	20.8
123.97259	20.1
125.02423	39.2
142.72394	18.3
159.82469	21.5
162.93576	18.1
167.10759	86.6
192.54489	19.6
267.68188	21.5
299.27817	21.9
343.07938	76.4
403.14102	21.6
511.19247	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	511.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.6
59.01377	28.9
61.98831	75.7
62.98517	2.9
65.86722	2.2
71.01371	5.6
73.02925	3.7
78.95902	3.2
81.03452	2.9
83.01362	3.2
85.02974	2.4
88.98795	13.0
89.02428	4.2
96.96022	3.8
97.06598	4.7
99.04531	2.6
101.02424	5.9
109.02951	3.0
113.02502	2.5
118.79626	2.2
121.02959	3.9
123.04504	7.5
125.02448	100.0
137.02440	4.6
139.04028	2.4
145.06459	2.5
157.07561	2.5
157.08676	13.6
161.02441	31.6
167.03436	4.1
167.10783	29.3
177.05508	4.1
179.63954	2.1
181.12158	2.5
201.05685	3.6
209.11823	3.2
269.04489	6.9
287.05634	12.9
301.03104	4.9
302.03897	2.6
305.06747	6.5
307.15524	5.4
307.52042	2.3
343.08014	20.6
353.19617	9.9
448.09659	7.8
511.19363	30.7
511.28867	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	511.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07410	5.7
54.09871	7.3
58.79675	5.1
59.01376	29.2
61.98821	34.5
68.99555	21.9
70.22280	11.2
71.01369	21.6
74.38821	6.1
88.12543	4.9
89.02444	29.6
98.21925	6.2
101.02422	7.0
106.91034	5.0
112.98547	22.2
118.90182	4.9
125.02427	26.8
137.96243	5.8
145.14578	5.0
147.43456	5.3
149.00972	5.6
149.04532	20.4
181.12361	10.4
235.09987	5.2
293.08826	59.9
329.06372	90.4
349.20193	24.3
427.76260	5.3
435.26236	6.1
455.61185	5.7
511.12225	4.0
511.19073	100.0
511.25494	17.1
533.45557	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	511.2545
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
55.01875	3.4
55.08145	0.5
57.03444	2.8
59.01082	0.5
59.01377	9.7
61.98831	1.7
69.12704	1.2
69.13120	2.7
69.49750	0.5
71.01379	9.5
73.02953	3.1
80.91676	1.1
81.03474	1.0
83.01389	1.1
83.05013	0.7
85.02962	4.2
87.00868	0.9
89.02442	4.2
95.01422	0.7
95.05037	2.0
96.96030	0.7
97.06562	0.6
99.00885	0.5
101.02453	6.3
109.02943	0.5
111.08175	0.8
113.02448	4.6
113.06082	1.8
114.68360	0.4
119.03501	2.1
123.00814	0.6
123.04473	0.7
124.01661	0.6
125.02449	12.6
126.02794	3.2
127.02893	1.0
136.05305	3.8
137.02457	1.5
137.06134	3.0
143.10716	0.8
145.02972	0.6
149.06075	3.9
150.06944	0.5
151.04051	0.5
151.07681	0.9
158.55331	0.5
159.02974	0.7
161.02461	4.6
161.04517	4.6
162.02834	1.6
163.02969	1.0
177.05707	0.5
179.05627	1.5
189.18620	0.5
189.49300	0.5
191.10782	0.9
192.00690	0.8
197.04823	0.5
231.17561	1.5
235.13370	9.9
249.15024	1.8
259.14581	0.5
259.16940	2.6
287.05600	1.8
287.20163	52.0
288.05893	0.9
288.20493	2.1
289.06256	1.5
305.21207	13.4
311.20129	0.8
313.18106	3.2
331.19080	8.7
333.20541	0.7
349.20181	100.0
350.20609	3.4
373.20203	2.0
448.09598	1.8
467.26685	0.8
487.06754	0.7
493.24026	0.7
511.25494	89.2
512.25909	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	511.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27665	2.0
57.75789	2.3
59.01376	100.0
71.45315	2.8
72.12259	2.3
77.95061	2.1
82.95413	24.9
84.00924	2.8
96.96011	4.0
103.01495	81.2
130.20390	2.3
131.32095	2.5
162.83907	7.5
164.83664	4.2
183.34337	2.6
299.19345	2.2
347.13272	2.7
350.20886	11.5
371.14676	2.5
404.70477	2.5
407.24399	7.8
427.28391	4.6
429.15277	6.1
453.28049	3.1
511.28156	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	511.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72176	5.9
59.01381	100.0
63.13673	5.3
66.03281	5.3
69.94344	14.3
98.21877	7.8
103.01500	85.8
118.11360	6.7
148.20462	5.3
201.78644	7.6
205.30539	5.9
277.19809	6.5
350.20877	20.6
407.24106	6.8
451.52307	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	511.2697
Annotation	Kihadalactone A
Peak:m/z	Relative Intensity
55.74956	0.7
57.03447	1.9
63.68214	0.6
65.03959	0.8
67.01884	2.1
77.26640	0.7
81.03461	0.8
93.03423	0.8
95.01384	2.3
96.02171	0.9
97.02954	2.3
98.77131	0.7
108.02173	12.6
109.02968	9.4
110.03720	0.7
111.04499	0.7
121.02958	2.9
122.03728	1.3
123.00893	0.8
123.04520	2.8
124.01667	12.3
134.03743	2.3
135.04503	1.4
137.02428	7.3
138.03210	2.1
150.03249	1.0
151.04002	2.0
153.05620	0.8
165.05527	1.2
183.13878	0.9
198.05354	1.2
383.21985	0.9
393.20746	5.6
399.25043	1.2
407.26089	1.5
409.23770	2.1
411.21774	3.0
423.25293	1.5
425.26923	3.0
427.24881	3.2
433.23837	3.2
441.26324	1.4
451.24878	19.0
469.25912	100.0
470.26117	4.6
511.27319	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	511.3058
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
55.01884	0.6
56.34397	0.4
69.88157	1.0
72.67408	0.4
95.01364	0.6
109.02957	2.2
110.03735	1.3
119.61935	0.5
123.00871	3.2
123.04538	2.2
124.01653	1.8
125.02436	1.5
137.02446	15.5
138.03242	4.1
142.02647	0.5
151.04002	10.0
165.01935	0.9
165.05550	1.3
166.02669	1.3
167.03497	0.4
179.03487	5.5
179.07079	0.7
180.04211	0.7
181.29872	0.4
193.05077	1.9
193.08722	1.3
207.10187	1.8
235.09654	0.7
236.10547	0.4
261.15079	0.5
275.16571	0.6
289.14908	0.5
303.16025	0.5
331.22775	1.9
359.22177	2.7
439.27969	2.1
483.31058	6.6
493.29395	1.5
511.30606	100.0
512.30682	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3064
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
51.23420	1.1
61.98820	1.3
69.31297	6.4
72.37724	1.6
81.03448	2.6
107.35503	1.2
108.02186	7.5
109.02986	4.7
121.02959	1.7
123.00885	1.6
123.04513	4.8
124.01665	19.6
133.38306	1.2
136.01672	1.8
137.02426	11.9
137.06117	5.7
138.03215	2.8
150.03233	4.9
151.04016	11.4
160.84251	1.5
162.84009	1.6
164.04831	2.6
164.83603	2.2
165.05507	1.5
242.13127	1.4
301.18060	1.7
355.49417	1.3
449.23087	2.2
453.26642	2.2
463.24805	7.8
479.24426	1.6
481.25974	47.9
496.28308	38.1
497.28784	2.0
511.30786	100.0
512.31360	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	511.3064
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
61.98819	3.6
62.77038	3.8
65.58856	3.8
88.04348	3.2
95.17928	3.5
95.94731	3.9
107.15783	3.6
108.02164	7.4
110.46987	3.6
113.96431	3.9
115.50984	3.7
122.03716	4.2
124.01671	17.8
133.08603	4.0
133.20677	3.7
135.88385	3.7
137.02397	8.0
138.03206	9.0
139.04076	3.3
139.16039	3.5
151.03961	8.8
160.84319	4.4
165.05449	5.4
201.50638	3.4
293.17386	5.3
330.37164	4.0
463.24902	9.8
473.28098	5.4
481.25809	38.3
495.39725	3.6
496.28482	29.3
511.30627	100.0
512.30878	5.5
517.07770	4.0
520.08759	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	511.3422
Annotation	CHEBI:69628
Peak:m/z	Relative Intensity
55.01873	0.4
59.29927	0.2
62.12141	0.3
81.03470	0.3
88.53458	0.3
91.64616	0.3
102.72102	0.3
108.02178	0.5
109.02934	1.0
110.03735	0.5
116.67406	0.3
122.03773	2.7
122.94397	0.3
123.00925	0.5
123.04521	22.2
124.01636	1.1
125.02464	0.6
135.04543	0.5
136.01677	0.3
136.05286	1.6
137.02457	2.9
137.06110	1.8
138.03226	7.2
139.03976	0.7
147.04504	0.9
148.05269	0.6
149.06053	0.9
150.03149	0.7
151.04001	19.1
152.04800	3.2
161.06181	0.4
164.04825	2.1
165.05559	14.9
166.02682	0.9
166.06276	0.4
175.07599	0.4
178.06244	0.5
179.07129	1.1
192.44817	0.3
193.08691	0.5
193.12450	0.4
203.10750	0.3
207.10237	1.1
221.11882	1.9
247.17021	0.8
275.16501	1.3
276.17374	0.5
289.18069	1.5
298.93460	0.3
344.23090	0.4
345.24344	0.7
397.27499	0.4
409.31140	0.4
439.28531	1.6
453.30133	1.9
463.28552	1.0
479.31647	2.5
481.29608	5.2
495.31100	0.4
496.31921	59.2
497.32382	3.1
511.34299	100.0
512.34546	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	512.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01750	0.2
59.01372	0.3
60.11687	0.2
61.98827	100.0
69.15432	0.9
111.86059	0.2
125.02480	0.3
147.33574	0.2
150.04688	0.2
155.10799	0.2
171.73228	0.2
180.70107	0.2
330.44034	0.2
398.11374	0.2
443.43314	0.2
460.19156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67758	3.0
59.61306	3.7
61.82179	3.3
61.98846	4.2
69.49452	14.0
71.00253	3.5
76.95831	3.2
93.27823	3.7
98.21902	6.6
100.16520	3.3
108.02164	5.1
109.02964	12.2
120.01844	3.6
121.02946	5.8
123.00914	7.4
124.01665	7.9
135.04443	8.0
135.82030	3.5
137.02487	18.5
149.02396	4.0
151.03963	7.0
162.83865	5.3
163.03989	7.7
165.58676	3.0
177.05591	22.4
189.80202	4.1
293.32300	3.7
439.21396	4.0
454.23514	34.9
469.25888	92.2
470.26135	5.9
482.26096	10.8
496.28317	9.9
497.28613	62.2
511.30951	9.3
512.30920	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	513.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29739	0.3
59.01361	0.4
60.31777	0.4
60.68434	0.3
63.02411	0.4
67.60268	0.3
69.18329	1.9
70.77580	0.4
77.61343	0.3
92.33173	0.4
96.96059	0.4
107.01452	0.5
112.50416	0.5
115.10530	0.4
125.02448	0.5
151.00328	1.8
152.01135	0.4
163.00423	0.7
164.01155	1.0
171.04457	0.4
178.99854	1.4
185.02225	0.3
189.01910	0.4
203.03447	0.8
214.02747	1.3
215.03421	2.0
231.02985	1.4
232.03668	0.5
242.02232	1.5
243.02983	2.1
254.07840	0.4
259.02460	4.7
270.01553	1.9
270.99597	0.4
271.02472	9.7
287.01965	41.1
288.02414	1.1
315.01459	87.8
316.02188	46.7
317.02560	1.2
330.03815	8.8
331.04575	32.8
332.04922	1.0
462.08038	0.8
477.10355	100.0
478.10666	3.7
513.19781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43711	1.0
59.01377	19.8
69.30206	3.6
71.01374	21.1
72.99304	46.0
78.95902	6.7
85.02934	1.6
87.00870	1.2
89.02437	20.7
90.40765	1.0
96.96952	11.4
101.02432	5.1
113.02456	5.1
113.12181	0.9
115.00364	27.9
119.03497	6.2
128.95973	1.2
133.01427	100.0
143.03421	1.8
149.04559	1.4
152.95955	52.5
161.04509	1.7
170.90216	10.6
170.97009	85.9
179.05637	6.3
224.81583	1.2
230.03426	1.1
230.98201	3.9
270.74249	1.2
291.00522	1.2
304.68518	1.1
341.10834	35.9
377.08630	1.2
513.08502	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	513.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.3
61.98821	1.9
62.91671	0.8
63.01602	0.9
65.48316	0.8
70.07735	0.9
71.01376	2.1
73.02937	4.7
74.36986	0.8
77.68145	0.9
81.03422	0.9
83.05042	0.9
86.66683	0.9
96.96015	1.6
97.42379	0.9
99.04520	18.8
101.02457	2.1
107.08674	0.8
113.02480	1.9
125.02457	5.7
135.08133	1.6
154.43718	1.0
167.03523	1.4
169.00143	0.9
169.01418	4.8
177.01888	1.7
191.11543	0.9
203.14391	12.5
207.10304	1.4
221.15469	36.3
222.15700	1.2
230.39542	0.9
247.13348	2.1
263.16617	1.4
265.14432	100.0
266.14639	2.5
267.65164	1.1
289.14462	1.4
307.15482	4.0
315.01440	2.9
316.02115	2.3
316.58792	1.0
331.04620	1.0
431.81216	1.1
469.21075	1.2
477.10315	2.9
513.27002	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	513.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97743	0.3
57.03462	0.6
59.01078	0.5
59.01371	6.8
61.18190	0.3
61.98818	1.1
69.03455	3.7
69.46574	1.0
71.01382	1.2
73.02937	3.9
79.01882	1.4
80.91682	0.5
81.03465	1.4
83.01386	5.4
85.02939	1.1
87.04514	1.2
89.02438	0.3
95.01373	0.5
96.96029	1.4
97.02957	3.3
98.86720	0.3
99.00840	0.4
99.04520	0.7
101.02426	1.9
107.01376	2.0
108.02194	0.8
113.02428	0.6
114.68155	0.3
123.00864	0.9
123.04519	0.7
124.01663	3.7
125.02441	100.0
126.02802	0.6
137.02501	0.4
137.06073	0.4
137.09645	0.5
139.11296	4.8
151.11232	0.4
152.01140	1.0
155.10719	0.5
163.11246	0.6
165.09253	0.3
167.03503	0.8
167.10809	0.5
169.01402	2.1
169.12329	1.5
177.09248	0.3
179.10785	0.9
181.12347	2.2
183.10252	5.6
185.44797	0.3
192.00632	1.8
197.11818	1.2
199.13451	0.5
207.02959	1.1
207.38240	0.3
225.11295	5.5
231.10291	0.4
234.01537	0.4
243.12354	4.5
249.11418	1.0
249.15189	0.4
263.12726	0.4
267.12430	0.5
269.06839	0.4
285.03970	0.6
285.13312	0.3
287.01962	0.7
291.12360	1.1
309.13635	0.6
315.01480	1.7
316.02274	0.7
327.14395	1.0
327.66064	0.3
347.17072	0.3
351.04114	0.3
369.15338	0.6
387.16669	2.5
431.09766	0.5
453.17703	3.0
477.10379	1.9
495.18524	2.3
513.19763	58.9
514.20105	3.2
533.06104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.8
59.01120	0.8
59.01378	12.5
60.99765	0.5
61.98825	4.6
68.99533	1.3
69.09827	4.2
71.01379	11.1
72.99305	3.2
73.02935	3.0
75.00865	11.1
81.03448	0.9
83.01369	1.2
83.21371	0.5
85.02941	10.6
87.00869	4.5
89.02415	3.4
91.04007	0.7
93.03462	0.9
95.01371	2.3
97.02956	1.0
99.00873	7.2
99.04506	2.8
101.02437	1.0
103.00345	1.2
111.00881	0.6
112.98520	0.9
113.02447	11.9
115.00375	1.1
117.01925	1.6
125.02419	1.6
129.01958	0.7
136.73604	0.5
138.03194	2.0
160.85910	0.6
175.02443	1.8
175.14871	1.3
201.12839	3.3
219.13863	17.7
220.13965	0.6
229.12396	1.3
231.05034	0.9
245.11696	0.9
249.06128	14.4
263.12820	5.9
267.07193	5.1
337.16556	2.4
348.80164	0.6
350.20779	0.6
351.21692	7.8
451.19730	1.8
453.17294	0.7
495.18625	2.5
513.19720	100.0
513.26447	4.6
514.19958	4.5
521.26563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11866	0.9
51.81401	1.0
55.01886	2.3
58.00583	1.4
59.01380	52.5
69.17118	2.8
69.17527	3.7
71.01382	61.6
73.02944	18.6
73.71819	1.0
75.00869	1.4
83.01382	8.2
85.02943	21.1
85.76842	1.1
87.00883	2.0
89.02444	38.4
95.01385	4.0
97.02966	2.2
99.00881	11.9
101.02444	38.5
113.01695	1.8
113.02450	24.0
119.03519	8.3
125.02460	5.9
125.24032	1.0
131.03532	4.9
143.03506	4.3
148.51851	1.0
149.04558	9.6
159.02957	2.3
161.04553	23.3
179.05634	4.3
191.05614	4.1
206.43649	1.0
219.17484	5.8
233.06703	4.3
244.46207	1.1
293.08646	2.5
367.38815	1.3
381.17819	1.9
381.22775	39.0
513.27039	100.0
514.27380	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	513.2692
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01869	1.8
58.00610	1.0
59.01383	37.5
62.55752	1.1
64.61263	0.9
71.01382	55.9
71.64336	1.1
73.02950	23.3
75.00874	1.5
83.01378	8.3
85.02950	23.2
87.00874	1.5
88.54939	1.0
89.02449	22.2
90.26328	1.0
93.26613	1.1
95.01392	2.5
97.02951	3.2
99.00874	9.6
101.02449	41.6
105.03194	1.0
113.02444	21.6
115.04029	1.8
119.03530	3.2
125.02456	4.6
131.03499	4.3
143.03526	3.2
149.04541	6.0
159.02983	4.5
161.04544	23.5
191.05632	3.3
219.17543	9.0
233.06654	3.9
293.08798	3.6
381.22806	46.3
382.23157	2.3
513.27057	100.0
514.27216	5.9
530.36877	1.5
532.10791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13607	0.3
57.29154	0.3
60.76336	0.3
69.76914	0.8
69.77259	0.4
98.22029	0.7
98.22543	0.4
108.14674	0.3
159.04703	0.8
161.02606	0.3
171.04840	0.4
173.02652	0.8
176.16537	0.3
177.05789	0.5
185.02696	0.4
185.06186	0.4
187.04276	2.4
188.04959	0.4
199.04256	0.7
200.01416	0.4
200.05127	0.5
201.01962	1.9
201.05798	0.6
211.04190	0.6
214.02725	3.4
215.03485	12.2
216.04362	1.9
221.15742	0.4
228.04489	0.4
229.05048	1.9
249.15152	0.5
258.01978	0.6
270.72830	0.3
298.15826	0.5
299.13226	0.6
299.16388	0.4
300.17599	0.4
311.16531	0.6
314.15384	0.8
327.16010	2.6
328.16824	3.4
341.17334	0.5
342.18329	0.6
355.15369	0.4
371.15005	1.0
408.17804	0.4
413.30682	1.3
425.30637	1.9
440.29358	4.0
441.30075	100.0
442.30420	4.2
457.29352	0.4
469.29449	3.7
482.30173	1.3
485.29037	0.6
513.28430	34.1
514.28802	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	513.2854
Annotation	fijianolide A
Peak:m/z	Relative Intensity
50.15575	0.4
54.58582	0.4
69.54803	0.4
71.40759	0.5
81.50018	0.4
93.36084	0.5
129.94458	0.4
159.04541	0.9
161.02422	0.4
173.02477	0.6
173.93556	0.4
177.05609	0.8
185.02434	0.5
187.03943	2.3
188.04990	0.4
199.04140	0.5
201.01836	1.9
206.92757	0.4
211.04033	0.4
214.02734	3.3
215.03490	11.2
216.04179	0.8
228.04201	0.5
229.05115	1.6
238.70934	0.4
240.08237	0.4
278.23499	0.5
299.16492	0.5
311.16653	0.6
314.15283	0.7
327.16052	2.2
328.16779	3.1
342.18155	0.5
356.15894	0.6
425.30569	1.7
439.28638	0.5
440.29260	4.1
441.30051	100.0
442.30377	4.6
469.29343	3.5
485.29117	0.8
501.04083	0.4
513.28528	78.3
514.29041	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	513.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13825	1.6
69.93250	2.8
69.93586	3.7
77.63046	1.6
78.01117	4.3
96.02146	3.6
96.96010	2.3
102.85820	1.7
108.39644	1.9
110.00087	2.8
123.00879	8.3
124.01706	10.5
131.04877	2.3
137.02454	1.6
150.03143	1.6
152.01147	6.1
154.89400	1.6
159.04530	5.6
161.02426	1.9
162.03273	2.4
168.03087	1.9
171.04546	2.3
173.02449	4.2
173.06021	5.3
174.03232	6.2
175.04002	2.4
185.06035	6.5
187.03999	19.4
187.07646	2.1
188.04773	7.2
189.01857	3.8
191.14415	28.9
198.03465	2.1
199.07634	5.4
201.01895	8.9
201.05614	14.5
202.06415	2.2
203.03500	3.7
203.54439	1.9
211.04016	4.9
215.03476	7.3
215.07175	4.9
219.13950	2.1
221.15425	2.7
229.04973	4.8
237.14955	67.4
243.02882	3.3
243.06596	2.2
245.15143	2.2
247.13376	5.1
247.17007	2.6
249.14870	11.2
263.12888	8.9
265.14423	99.2
265.18024	46.8
271.16882	2.9
272.13989	3.3
273.14908	7.4
275.16605	4.3
285.14948	4.4
286.15726	3.4
287.16425	3.0
289.14615	2.8
290.15115	2.1
298.19144	2.1
299.16464	4.4
300.17282	42.2
301.17920	4.9
303.16025	6.2
314.15219	33.1
315.15842	4.8
328.16821	9.2
342.14606	2.8
358.14392	2.6
371.29416	6.9
385.30997	9.9
397.31064	19.6
399.28918	16.2
413.30609	56.5
414.30832	2.7
423.29156	3.6
441.29932	64.3
442.30151	4.0
457.29709	7.4
469.29868	6.6
485.28976	3.8
513.28033	100.0
514.28857	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2853
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.13138	0.4
51.60142	0.5
53.44940	0.5
54.11269	0.4
56.76286	0.4
75.38482	0.4
153.91705	0.4
155.15204	0.4
159.04601	1.8
161.02556	1.5
173.02550	0.8
177.05618	0.9
184.71442	0.4
186.03224	0.6
187.04001	5.5
188.04932	0.6
189.02052	0.7
198.03290	1.1
199.04111	1.7
200.01180	0.9
200.04950	0.5
201.01933	3.8
201.05598	1.3
211.03957	0.5
214.02692	7.2
215.03491	22.5
216.04227	2.7
217.05130	0.8
221.15407	0.6
228.04333	1.0
229.05081	3.8
229.08861	0.6
243.06599	0.7
285.15143	0.4
298.15811	0.7
299.16574	0.5
301.14569	0.6
311.16663	1.0
314.15430	0.7
327.16043	5.7
327.19559	0.9
328.16748	4.2
329.17386	0.5
355.15750	0.7
425.30634	1.7
439.28665	0.5
440.29288	4.7
441.30051	100.0
442.30396	5.0
469.29504	3.4
513.28497	62.9
514.29126	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	513.2853
Annotation	fijianolide A
Peak:m/z	Relative Intensity
55.30486	0.2
69.80126	0.8
73.36647	0.2
80.27167	0.2
84.99329	0.3
98.22719	0.2
108.43605	0.2
128.98245	0.3
137.02515	0.3
145.02966	0.3
156.97786	0.5
159.04535	1.6
160.05267	0.3
161.02477	0.8
162.03148	0.3
171.04556	0.5
172.05315	0.5
173.02428	1.2
174.03233	0.4
175.04028	0.3
177.05579	1.7
180.09877	0.2
185.02478	0.5
185.94215	0.2
186.03175	0.3
187.04021	4.4
188.04703	0.7
189.01958	0.6
191.14352	0.5
198.03244	0.8
199.03975	1.2
200.01155	0.6
200.04779	0.6
201.01918	3.7
201.05579	1.2
202.02638	0.5
203.03488	0.4
211.03990	0.5
212.04805	0.3
213.01872	0.4
213.05536	0.4
214.02710	5.3
215.03491	20.1
215.06906	0.5
215.79103	0.2
216.04205	2.4
217.04910	0.4
227.03572	0.4
228.04271	0.7
229.05049	2.4
229.08669	0.3
243.06595	0.9
249.15050	0.5
257.08252	0.4
258.08820	0.3
271.09644	0.3
283.17123	0.3
298.15750	0.3
299.13010	0.4
299.16528	0.6
311.16605	0.8
313.14438	0.3
314.15253	0.8
327.15988	4.3
328.16785	4.6
329.17535	0.3
333.20526	0.4
341.17236	0.3
342.18307	0.6
355.15112	0.4
397.31290	0.3
413.30814	0.3
423.28690	0.2
425.30560	2.0
439.28525	0.3
440.29242	4.3
441.30048	100.0
442.30441	4.7
469.29575	3.3
485.29218	0.4
513.28540	65.2
514.28876	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	513.2853
Annotation	fijianolide A
Peak:m/z	Relative Intensity
54.23632	0.3
70.54984	0.3
71.11781	0.3
105.55245	0.3
108.60036	0.3
115.05611	0.3
159.04594	1.3
171.04543	0.4
173.02502	0.8
175.14964	0.4
177.05679	1.0
179.76489	0.3
185.02446	0.4
187.03996	3.3
188.04779	0.6
189.01921	0.4
191.14423	0.5
194.95067	0.3
198.03328	0.4
199.03947	0.6
200.01222	0.4
200.04623	0.3
201.01932	2.2
201.03674	0.3
201.05705	0.8
211.04097	0.6
213.05745	0.4
214.02725	3.9
215.03494	12.7
216.04276	2.3
228.04318	0.5
229.05078	1.7
242.05981	0.4
243.06613	0.3
249.15041	0.5
265.14502	0.3
269.60709	0.3
275.71591	0.3
283.17056	0.3
298.15775	0.5
299.16507	0.4
300.17441	0.4
311.16858	0.5
314.15265	0.6
327.16046	2.8
328.16751	3.8
329.21228	0.4
341.17404	0.6
342.18365	0.4
413.30496	0.5
423.18600	0.4
424.30002	0.4
425.30591	1.9
440.29300	4.3
441.30069	100.0
442.30377	4.7
469.29468	3.2
485.28967	0.6
513.28528	52.4
514.28864	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2852
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.30829	1.5
52.05960	1.5
56.42709	1.7
69.81097	5.5
76.98267	1.7
78.01093	6.1
96.02148	2.2
98.21941	1.8
123.00842	3.8
124.01620	7.0
152.01143	6.5
159.04408	2.4
173.02463	2.7
173.06024	2.2
182.52950	1.6
185.06107	3.7
187.03966	7.3
188.04820	4.0
191.14403	25.2
201.01956	8.8
201.05559	4.8
211.03986	2.1
215.03436	3.5
221.15466	3.0
229.05011	2.2
237.14911	22.2
245.00836	2.3
249.14923	6.4
263.12894	9.7
265.14426	83.8
265.17856	8.3
266.14771	3.1
272.14432	1.7
273.15097	3.7
289.14282	2.0
300.17340	11.2
314.15244	21.5
315.15997	2.2
316.16687	2.1
328.16690	5.9
332.16101	1.8
358.13953	2.2
371.29257	2.3
385.31018	7.8
397.30960	14.9
399.28983	2.5
413.30606	16.1
423.28894	1.9
429.29813	2.1
437.02258	1.8
441.29984	30.0
442.30396	1.8
457.29327	6.1
469.29480	4.8
513.28363	100.0
514.28564	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37299	0.2
55.01879	0.4
59.01077	0.4
59.01376	7.7
61.80714	0.2
62.42155	0.2
70.87561	0.2
71.01379	4.9
73.02940	0.8
77.17777	0.2
83.01392	0.4
83.05038	0.3
85.02946	1.2
87.00873	0.6
89.02434	3.7
95.01379	0.4
96.22369	0.2
97.02947	0.2
99.00915	0.2
101.02438	4.2
113.02444	1.8
117.00791	0.2
119.03503	0.9
125.02414	0.3
131.03459	0.2
133.05080	0.4
143.03458	0.3
151.59799	0.2
161.04559	1.7
164.83521	0.2
179.05585	0.5
182.13106	0.2
233.22786	0.5
235.08243	1.1
253.09277	15.4
254.09720	0.3
259.20667	0.4
275.20126	0.4
277.21710	100.0
278.22006	2.9
337.20013	0.2
507.61346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98001	0.0
55.01880	0.3
57.03444	0.1
58.00603	0.1
59.01377	8.1
69.03459	0.1
69.65417	0.1
69.65791	0.1
71.01379	4.9
71.93941	0.0
72.99311	0.1
73.02945	1.4
74.62530	0.0
75.00875	0.0
76.41676	0.0
78.95908	0.1
81.03452	0.1
83.01386	0.6
83.05026	0.1
84.48501	0.0
85.02948	1.3
85.54928	0.0
86.00131	0.1
87.00874	0.5
89.02444	3.9
91.04006	0.2
95.01398	0.4
97.02968	0.2
97.06614	0.1
99.00866	0.3
101.02446	5.1
103.04012	0.1
109.02927	0.0
109.97849	0.1
112.01695	0.1
113.02448	2.2
113.06112	0.0
115.04010	0.1
119.03503	1.1
125.02468	0.2
127.07657	0.3
131.03491	0.2
133.05074	0.4
143.03513	0.4
145.05080	0.1
149.04579	0.1
151.64789	0.0
152.99568	0.2
157.05019	0.2
161.04565	1.8
179.05635	0.6
182.13130	0.1
183.13824	0.1
187.06140	0.1
205.19606	0.1
233.22731	0.4
235.08221	1.2
253.09276	16.6
254.09700	0.2
259.20557	0.3
275.20209	0.3
277.21713	100.0
278.22037	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	513.3215
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
55.61386	0.7
55.94971	0.7
69.77841	2.4
74.14307	0.8
81.03453	2.4
88.35474	0.8
97.02953	1.2
98.21966	1.2
104.05450	0.9
108.02168	8.5
109.02945	1.1
118.01798	0.7
121.02977	1.7
122.03736	15.8
123.00884	2.3
123.04516	10.9
124.01663	18.3
128.59998	0.7
133.45787	0.8
137.02435	2.7
137.06076	14.6
138.03246	1.1
150.03220	2.6
151.03986	1.4
152.99559	1.4
163.04027	1.0
164.04851	1.0
177.05569	1.4
224.97629	0.9
277.25888	0.8
294.75876	0.9
333.99020	0.8
395.25885	0.8
397.27457	1.3
455.27972	2.8
465.26398	10.9
468.24887	1.4
483.27521	61.7
484.27927	3.2
498.29849	35.8
499.30099	2.2
513.32227	100.0
514.32611	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	513.3217
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
55.01867	0.5
69.83377	0.9
78.01104	0.9
95.01366	0.4
96.02171	0.6
109.02948	2.1
110.03741	2.1
123.00893	3.7
123.04550	2.7
124.01666	3.4
125.02427	1.4
133.95705	0.4
136.05231	0.4
137.02440	18.9
138.03220	4.2
141.17114	0.4
142.02658	0.6
149.06097	0.5
151.04012	8.3
152.01144	1.5
153.01926	0.6
165.01990	0.8
166.02716	2.4
173.06070	0.6
174.03137	0.6
179.03479	2.9
179.07068	0.7
180.04204	0.5
185.06075	0.9
187.03975	0.8
188.04834	0.5
190.02826	0.3
191.14412	6.4
193.08727	0.9
199.04062	0.6
201.01945	1.7
207.10350	0.4
211.03986	0.4
215.03581	0.7
221.11755	0.6
221.15495	0.5
229.05013	0.6
237.14923	4.3
243.03021	0.4
247.13361	0.9
249.14977	2.6
257.04181	0.4
263.12976	2.3
263.16537	0.4
265.14447	20.1
265.17838	1.2
266.14792	0.6
273.15033	0.9
285.18463	0.4
289.14331	0.4
300.17404	1.0
303.16074	0.4
314.15234	4.8
328.16614	0.7
332.16376	0.5
333.24319	2.3
347.22253	0.6
361.23776	4.0
382.00937	0.4
385.31128	1.6
397.31171	2.1
413.30597	2.1
429.29886	0.4
441.29953	5.4
457.29630	1.3
467.31677	0.4
469.29617	1.3
470.30234	0.4
485.32858	9.6
486.32935	0.5
495.31204	2.3
513.32581	100.0
514.33020	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	513.3218
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
51.20783	0.9
70.45760	1.7
75.00865	2.5
95.47333	1.0
101.70253	1.1
108.02187	3.2
109.02937	2.9
114.87605	1.1
122.03730	3.3
123.00873	1.6
123.04536	6.9
124.01686	6.7
137.02448	7.4
138.03238	12.3
139.04024	2.1
144.14415	1.2
149.06084	1.3
150.03212	2.6
151.04004	10.3
152.04744	1.8
164.04817	2.7
165.05577	7.8
176.92601	1.1
221.11848	2.0
234.25177	1.2
275.16241	1.1
345.24371	1.5
427.29269	1.2
437.26828	1.2
447.25253	1.7
455.27982	1.4
465.26422	8.3
466.27328	2.9
467.28073	1.3
481.29752	1.5
483.27518	22.7
498.29913	41.4
513.32214	100.0
514.32483	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	513.3218
Annotation	Gln Val Leu Arg
Peak:m/z	Relative Intensity
56.88834	0.3
60.64316	0.3
69.58933	1.0
71.19415	0.2
78.95860	0.2
81.03448	7.6
88.31133	0.3
90.01327	0.2
93.07059	0.3
95.05035	0.4
95.64144	0.3
98.22575	0.5
101.79733	0.2
109.02949	0.7
110.00077	0.3
110.03696	0.6
122.03741	1.3
123.04523	16.1
124.01650	0.9
125.02428	0.7
135.04495	0.8
136.05309	1.9
137.02457	3.7
137.06079	25.0
138.03238	2.2
138.06366	0.3
139.03986	0.5
147.04581	0.5
149.06079	0.9
150.03218	0.4
151.04001	19.8
152.04799	2.8
152.99634	0.4
163.04016	0.5
164.04752	0.5
164.83597	0.4
165.05559	15.4
165.09183	0.4
166.02715	0.5
172.89201	0.3
175.07643	0.9
179.07147	0.6
179.10693	0.3
191.07065	0.4
193.08652	0.3
207.10260	1.2
210.95374	0.3
221.11806	0.6
221.15572	0.2
235.13191	0.5
244.75264	0.3
249.14876	0.4
263.16519	0.5
273.18539	0.3
275.16641	0.4
277.18127	0.4
291.19717	0.5
291.23032	0.3
305.21252	0.5
305.24960	0.7
306.22058	0.4
319.22763	1.3
331.22916	0.4
332.23492	0.7
333.24316	1.1
342.14917	0.3
343.23004	1.8
345.24435	0.5
360.22964	4.1
361.23941	0.3
375.25647	0.4
437.30939	0.5
442.27393	0.3
454.30777	0.5
469.29782	0.4
481.29626	2.2
483.27756	0.7
498.29865	53.5
499.30194	3.0
513.32208	100.0
514.32635	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74602	0.4
69.57045	1.0
72.85184	0.4
74.47939	0.4
74.91465	0.4
76.35186	0.5
77.93546	0.4
78.01081	1.3
78.68866	0.4
95.01395	0.5
96.02171	0.7
98.21880	0.6
108.02165	1.0
109.02916	0.9
110.03728	0.7
122.03745	3.2
122.91684	0.5
123.00896	2.1
123.04515	21.5
124.01682	3.0
135.04523	0.6
136.05290	1.0
137.02437	3.8
137.06079	1.8
138.03221	7.2
139.04065	0.5
147.04575	0.7
148.05331	0.8
149.06038	1.2
150.03206	0.8
151.04004	19.5
152.01201	2.5
152.04791	2.2
161.02464	0.6
164.04808	0.9
165.05560	16.0
166.02718	1.0
173.02449	0.5
173.06093	1.1
174.03252	0.5
177.05681	0.5
179.07100	0.8
184.46260	0.4
185.06021	1.1
187.03998	1.3
188.04794	1.1
189.01823	0.7
191.14397	7.6
199.04091	0.5
201.02005	3.0
201.05542	1.5
207.10156	1.0
211.04065	0.6
221.15434	1.2
229.04803	0.6
235.16939	0.6
236.32359	0.5
237.14929	8.5
245.15582	0.6
249.14937	2.1
263.12875	2.5
263.16336	0.7
265.14420	23.5
265.17996	4.0
266.14847	0.6
273.15024	0.6
277.17880	0.5
284.18054	0.5
300.17236	1.3
314.15195	4.2
328.16724	1.0
358.13971	0.7
385.31140	2.1
397.31064	1.8
399.29172	1.1
411.32809	0.9
413.30597	2.9
426.27710	0.7
427.32474	0.7
441.29999	6.8
455.31726	2.2
457.29578	2.5
465.30151	1.3
469.28937	1.1
481.33374	2.8
483.31152	7.1
485.29044	0.6
498.33475	75.1
499.33810	3.3
513.28577	35.7
513.35760	100.0
514.28973	2.5
514.36176	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	514.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37496	0.7
59.01371	3.5
61.98827	64.9
65.90528	0.6
71.01362	1.4
71.27922	0.6
73.33783	0.7
93.03459	37.6
96.95999	6.7
101.02447	0.6
123.04500	1.4
125.02463	1.4
137.02441	100.0
138.03073	0.8
139.04007	16.7
164.01117	0.8
169.05069	22.6
192.00635	9.5
193.01086	6.8
194.01881	1.6
207.02905	2.8
208.03331	1.6
224.60356	0.9
281.06598	2.0
313.09296	8.1
321.14551	1.1
353.23291	1.0
428.10098	1.3
429.14441	0.8
451.12488	27.2
477.10373	2.4
478.10550	10.8
501.10251	0.9
507.30176	0.8
513.27173	1.8
514.20209	1.4
514.28101	0.8
532.72400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81734	0.6
61.98829	100.0
69.52995	1.3
69.53379	1.4
89.05982	0.6
89.88461	0.6
99.57134	0.8
112.92094	0.6
122.03711	0.6
189.61911	0.6
275.23538	0.6
305.55841	0.8
326.30362	0.6
347.12033	0.6
436.87442	0.7
451.24948	7.2
487.70459	0.7
526.29419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28325	0.5
61.98828	100.0
69.26216	2.4
83.66256	0.4
86.27943	0.5
150.57181	0.5
153.46497	0.5
205.32159	0.5
451.25299	1.6
478.61636	0.6
514.29718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
69.10084	1.4
122.33237	0.2
127.60334	0.2
185.11594	0.2
210.61029	0.2
265.14542	0.4
337.51498	0.3
356.51382	0.2
439.40884	0.2
451.28534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.98827	100.0
69.59993	0.4
70.88415	0.1
70.96227	0.1
71.83990	0.1
96.96026	0.5
98.22640	0.2
101.72608	0.1
116.92835	0.6
125.02488	0.4
154.31354	0.1
160.41907	0.1
203.10368	0.1
224.76491	0.1
452.33908	0.2
453.33694	0.2
454.33731	1.2
474.81485	0.1
478.18237	0.2
479.08533	0.2
514.32806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02196	2.0
60.27817	1.8
61.98822	4.9
69.72926	4.8
69.73283	4.0
72.02242	2.1
162.83887	9.7
163.83916	2.6
164.83604	100.0
193.52917	2.3
228.27086	1.9
249.92628	2.1
350.20496	5.8
455.27731	3.2
514.26483	3.2
514.35400	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	514.918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72663	0.5
59.01368	2.5
59.61137	0.5
63.53675	0.6
71.40878	0.7
87.92474	0.5
105.82556	0.6
124.98511	0.7
125.93665	0.6
127.93154	34.0
129.92377	0.9
138.94398	1.5
139.93166	12.0
140.93941	1.9
152.95941	1.7
154.95497	51.0
166.99469	2.5
167.92612	1.0
171.97008	1.0
181.92961	3.5
182.14978	0.6
182.93335	1.2
182.94962	0.6
184.01016	4.7
184.88681	0.8
196.94911	3.0
197.94971	0.7
198.94466	100.0
199.94696	1.4
199.98730	5.2
200.38435	0.6
215.95999	3.5
217.00264	0.8
228.87646	0.9
258.87473	1.1
287.88559	0.7
293.80841	0.9
331.01785	0.6
340.95566	1.5
341.99802	4.5
377.83044	0.6
388.90811	0.7
424.80356	0.6
432.83670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23710	7.8
69.24109	4.4
123.00874	3.5
124.01675	3.0
125.02481	10.1
165.01924	2.4
166.02705	2.8
167.03522	2.2
169.01451	7.9
174.09712	1.9
190.02701	2.5
192.00645	34.9
193.01419	46.7
194.02075	3.9
205.01353	3.0
206.02304	1.8
207.02895	12.1
211.02489	4.6
218.85146	2.0
233.91705	2.1
234.01740	4.7
235.02467	4.4
271.04608	2.7
273.37085	1.8
312.04700	3.7
313.05618	3.5
327.06998	2.3
352.23288	2.1
358.84329	1.9
479.08298	100.0
480.08328	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	515.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28310	1.0
57.03443	4.3
59.01375	100.0
61.98829	10.4
67.52691	0.9
69.03469	1.2
71.01378	13.3
71.05017	1.0
73.02945	15.9
77.73472	1.0
79.95737	1.0
81.03474	1.3
82.95409	2.4
83.00951	1.2
83.01395	3.0
83.05021	1.9
85.02956	4.5
87.00876	4.2
88.98790	1.4
89.02455	3.8
93.03443	1.1
95.01392	1.1
96.96007	35.1
97.06585	4.4
98.00382	1.0
99.00879	1.6
99.04544	1.4
101.02444	10.9
107.05050	8.9
113.02421	5.3
119.03532	2.1
120.05802	2.7
125.02454	5.6
127.33007	0.9
132.47881	1.0
135.04518	3.4
137.02473	1.5
153.01964	2.0
161.04544	1.6
161.09717	7.4
161.13365	4.9
163.11359	1.5
167.03450	1.1
169.01390	2.0
171.94046	1.0
187.11278	12.3
189.09203	5.4
192.00658	4.7
193.01392	5.1
203.10751	2.5
205.12305	4.6
207.03052	2.1
207.10219	2.2
207.13820	1.5
223.13371	49.4
229.12300	1.9
234.01691	1.2
247.17116	1.4
249.11275	5.9
249.15036	5.3
267.12366	50.7
267.15576	2.2
287.01938	2.1
305.39719	1.1
309.06171	2.2
309.13443	1.3
315.01550	7.2
316.02182	4.6
330.03592	1.1
331.04672	3.4
353.23276	9.8
395.13531	2.0
429.14572	1.9
455.23187	1.2
471.18787	6.9
477.10226	9.9
479.08121	7.1
515.17639	3.7
515.21826	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	515.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02406	1.7
58.36474	1.6
59.01075	2.4
59.01376	33.7
59.18392	1.9
61.98822	19.3
62.54904	1.6
67.52317	1.6
69.33864	4.1
69.34258	5.6
71.01389	9.3
73.02927	5.9
75.00883	2.1
82.95412	3.5
83.01410	1.8
85.02935	5.8
89.02437	5.3
96.96001	13.3
101.02419	6.0
108.02176	47.4
109.02917	10.6
113.02451	4.4
115.07642	20.5
116.92818	6.5
124.01632	2.8
125.02418	2.9
137.06010	3.0
137.25604	1.8
143.03624	2.0
149.02513	2.0
152.01152	96.4
153.01889	3.6
181.04697	1.8
193.01396	2.6
223.60461	1.8
311.18530	2.9
353.23416	12.2
361.37012	2.0
399.09244	11.5
417.10703	3.2
479.08047	3.7
515.17633	100.0
515.28491	40.0
516.17651	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	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85007	0.9
53.57878	0.9
57.03440	3.1
59.01376	100.0
61.98820	4.5
69.26978	0.9
70.40762	1.0
71.01379	9.9
71.05022	1.2
71.43423	1.0
73.02943	17.2
82.95404	2.3
83.01368	4.9
83.05029	2.3
85.02941	3.9
87.00885	4.6
89.02425	2.4
95.05018	1.0
96.95998	7.5
97.06580	5.3
101.02437	9.7
107.05029	13.3
109.02925	1.4
113.02444	3.5
119.03504	1.3
120.05826	2.0
121.02941	1.9
123.00851	1.2
125.02445	6.8
133.02910	1.4
135.04514	3.8
137.02379	1.5
141.05534	2.1
149.02345	1.5
151.07651	1.6
153.01912	0.9
155.10632	1.1
161.02448	1.3
161.04552	1.8
161.09715	10.3
161.13368	6.3
163.11172	1.9
169.01369	1.5
177.01926	11.8
187.11259	17.8
189.09143	5.3
192.00618	2.3
193.01396	1.9
201.11333	1.2
203.10817	3.3
205.12338	6.3
207.03043	1.2
207.10283	3.1
223.13380	56.6
224.13751	1.8
229.12276	1.2
249.11336	9.3
267.12375	48.6
291.12048	1.2
296.75107	1.0
303.04993	1.5
309.13422	4.8
315.01422	2.3
449.80719	1.1
471.17899	10.0
477.10214	2.5
479.08151	5.1
515.21576	3.1
515.28522	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	515.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07103	1.8
59.01384	11.7
68.99542	2.1
69.31166	5.0
71.01384	14.2
73.02971	3.8
85.02948	4.0
88.98779	3.9
89.02450	5.5
92.56148	1.8
96.96021	7.6
99.00900	4.2
101.02440	9.7
108.02170	3.8
109.02957	4.6
112.98594	2.7
113.02458	4.6
115.04031	2.1
121.02976	3.3
123.00855	1.8
123.04551	3.7
125.02445	14.1
137.02400	3.1
153.01927	4.5
154.34450	2.2
157.28941	2.2
161.04576	5.1
165.01958	4.1
169.01439	3.7
177.02031	2.6
220.16357	2.1
233.06589	2.4
237.50571	2.0
243.03046	1.9
272.06995	2.5
287.09280	7.8
317.10367	17.4
347.17007	6.2
473.05594	2.0
479.21329	83.2
480.21552	3.6
515.08118	3.9
515.19019	100.0
516.19757	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	515.19
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
59.01378	13.0
61.98811	1.5
69.37555	4.5
71.01379	12.2
73.02940	5.3
75.52654	0.9
83.01365	2.0
85.02956	2.7
89.02441	10.7
96.96001	2.8
96.96941	1.1
99.00849	4.1
101.02435	10.8
109.02959	1.7
113.02442	4.0
115.04042	1.0
119.03512	1.0
121.02962	1.1
123.00870	1.1
125.02459	10.4
134.03761	1.7
136.01620	1.3
137.02385	1.2
143.03474	1.4
149.02428	1.1
149.04550	3.2
150.03241	1.9
151.04051	2.0
153.01909	1.4
158.31090	0.9
161.04526	3.5
165.05516	2.0
167.03462	1.1
169.01402	6.4
174.54228	1.1
177.01956	1.3
191.05643	1.0
192.00644	1.5
193.01410	1.3
195.06686	1.4
207.02968	1.3
233.06647	1.1
234.01854	1.2
239.14470	1.1
241.05025	1.6
243.02933	1.8
256.07465	1.3
268.67422	1.0
271.09677	3.6
277.17224	1.0
341.57169	1.0
347.17087	5.7
395.13531	2.2
467.16858	2.2
479.08710	9.3
479.21307	80.5
480.21567	3.0
515.18933	100.0
516.19250	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	515.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.2
59.01377	31.8
61.98818	2.1
68.27811	0.9
69.03434	1.2
71.01375	2.6
71.28130	1.0
73.02933	2.1
79.74031	0.8
81.03441	2.2
83.01388	7.1
85.02915	1.3
87.04517	1.3
93.03447	1.9
95.05061	1.0
96.95973	2.8
97.02929	3.2
101.02463	1.1
102.00206	0.8
102.24841	0.9
109.02950	9.5
111.00871	3.0
113.02448	1.0
117.03419	0.8
121.02946	0.9
122.03636	0.9
123.04489	3.7
124.01664	1.2
125.02443	77.1
133.02852	0.9
135.04491	2.0
137.02441	42.8
139.04018	1.9
139.11278	16.7
145.01863	1.0
145.02950	15.0
146.03719	1.9
149.02420	6.2
150.03201	1.0
151.03961	2.5
157.06564	1.2
159.04533	8.9
161.02400	1.4
161.06042	6.3
164.01166	1.0
165.01997	1.6
175.03909	1.4
179.03615	0.8
181.12326	10.6
183.04401	2.8
183.10252	22.3
185.06084	6.9
187.03949	5.0
188.04768	1.7
192.00581	1.0
193.01439	0.9
196.82814	0.9
199.13400	7.3
201.05547	2.8
202.06247	1.2
203.07181	9.5
205.04990	2.6
209.06076	2.5
211.03954	2.0
211.32820	0.9
220.14275	0.8
225.05533	0.9
225.11314	5.4
227.07034	4.4
229.05011	2.0
230.02158	2.3
235.16925	1.1
243.12354	100.0
245.08133	6.4
245.21634	0.8
253.05019	14.4
259.09802	0.8
271.06104	52.9
272.06464	1.2
289.07172	28.8
303.16034	1.3
305.13861	2.6
317.13693	1.1
347.14603	0.9
365.15994	11.2
369.16901	1.7
377.16119	12.1
381.00162	0.9
383.32471	0.9
409.20081	1.1
409.52576	0.9
411.17874	3.0
443.06198	0.9
453.19131	2.1
471.20212	5.6
479.08334	2.5
497.17749	1.6
515.19122	49.9
516.19446	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	515.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03448	4.4
59.01378	100.0
61.98835	2.4
64.30753	0.8
69.03465	2.9
69.17940	4.8
71.01380	49.5
72.99297	1.8
73.02944	25.2
75.00869	2.1
81.03469	1.8
82.95403	1.0
83.01385	12.8
85.02946	26.2
87.00876	5.3
89.02441	9.5
95.01391	6.6
96.76703	0.8
96.96006	26.6
96.96996	1.6
97.02955	4.9
99.00883	10.2
99.04552	1.5
101.02441	45.2
109.02984	1.3
111.00873	1.9
111.04569	0.7
112.01685	1.0
113.02444	30.3
114.93427	2.6
116.92904	1.0
119.03520	2.0
125.02461	7.6
129.01958	0.9
131.03534	1.5
137.02397	0.9
143.03487	8.1
145.27821	0.7
149.04576	1.4
155.03549	0.9
159.03041	2.7
161.04556	23.2
179.05669	2.2
187.89796	0.7
203.05687	1.3
212.01260	0.9
221.06741	2.0
227.05499	0.9
243.50548	0.7
245.06706	2.3
245.11823	1.2
250.81505	0.7
263.07822	0.9
284.09506	0.8
295.95282	0.9
309.56216	0.8
311.15009	26.3
312.15231	0.9
353.16071	4.0
353.23343	1.7
377.16214	1.0
381.15790	0.8
395.20804	1.0
417.09473	0.8
429.14474	3.7
455.19000	10.8
471.21802	1.3
473.20258	67.8
474.20703	2.0
515.21198	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	515.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12203	1.7
55.01860	1.8
57.03164	3.4
57.03445	67.8
59.01379	55.7
59.09975	1.5
61.98822	4.3
69.26151	9.8
71.01376	21.7
73.02938	8.7
75.00867	3.4
80.91671	2.7
83.01386	3.7
85.02940	9.3
87.00869	2.4
89.02457	12.0
92.99609	1.4
99.00875	3.6
99.04517	18.4
101.02439	29.6
108.02170	2.9
109.02959	2.2
113.02444	11.4
119.03486	3.3
123.04526	2.6
125.02421	21.4
130.57741	1.8
135.04532	2.4
137.02425	6.2
138.03246	2.3
146.93652	1.6
151.03996	4.9
160.61525	1.7
161.04543	4.7
161.05933	3.0
172.20296	1.6
176.08340	11.8
187.72310	2.0
191.09157	3.3
191.10767	43.0
193.12366	4.8
194.09465	1.7
205.08659	3.2
209.11821	67.5
216.11481	5.5
218.09497	6.0
221.71776	1.7
231.13889	14.7
236.21677	1.7
251.12886	2.6
265.14319	2.2
281.10291	10.1
296.12653	5.0
311.14978	11.0
353.16043	26.9
353.22885	2.5
371.17087	100.0
372.17285	2.5
413.18124	37.3
452.28891	1.6
453.21234	8.9
471.22165	1.8
515.21045	25.9
515.28229	3.5
523.54858	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	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47200	0.6
55.01885	2.2
57.03454	2.0
59.01378	37.5
61.98832	2.0
69.03455	1.3
70.21124	0.8
70.21472	1.5
70.50372	0.6
71.01379	40.0
72.99341	1.3
73.02946	10.4
75.00891	1.4
83.01398	5.3
85.02949	16.7
86.50254	0.6
87.00877	3.4
89.02441	15.6
95.01416	2.6
97.02985	2.3
99.00872	4.0
101.02440	29.0
107.55700	0.6
108.19265	0.7
111.00854	0.7
113.02446	19.7
119.03494	7.2
119.04998	1.2
124.01614	0.8
125.02445	5.6
131.03494	3.7
137.02480	1.1
143.03505	6.2
144.46327	0.6
148.08949	8.7
159.03006	2.3
161.04556	23.3
167.03433	0.7
176.08421	34.7
179.05646	2.1
191.10774	100.0
192.11082	1.5
210.22783	0.8
221.06682	6.9
221.15488	2.6
232.55042	0.7
245.06589	1.1
251.16531	2.2
263.07813	0.9
265.14468	1.8
265.17892	0.6
293.17517	3.6
315.08865	0.7
323.09821	3.7
353.15887	3.8
353.19690	1.5
380.06375	0.7
479.23087	0.8
515.21173	23.4
515.28741	1.3
516.22070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.9
71.01376	6.4
71.44594	0.4
72.99309	3.6
75.00893	0.4
78.95911	2.8
79.39168	0.4
79.81859	0.4
85.02963	1.2
87.00880	0.8
89.02445	8.4
89.53352	0.4
93.03458	0.6
96.96009	3.7
96.96957	7.7
101.02435	3.0
108.02153	0.7
111.00884	1.3
111.04539	1.2
112.95607	0.5
112.98789	0.5
113.02453	2.2
113.64912	0.4
114.05611	1.4
115.00355	2.4
119.03513	2.8
125.02442	2.8
129.05525	0.6
131.08263	100.0
132.08614	0.4
133.01428	7.4
137.02440	1.8
139.03947	0.5
143.03487	0.8
152.01164	1.8
152.95961	1.2
153.01921	0.8
154.95764	1.6
156.07784	3.7
161.04536	1.0
167.03540	0.6
169.01413	0.5
169.04962	0.6
170.90268	0.5
170.97029	1.9
172.89980	5.9
172.96768	4.3
173.00952	0.7
173.04558	2.5
173.10440	83.3
174.10878	0.5
179.05595	4.1
180.87149	0.4
201.72276	0.4
243.02989	0.9
279.72449	0.5
304.54465	0.4
305.06693	1.8
341.10876	18.2
342.11374	0.8
343.11285	0.7
398.42648	0.5
417.10434	1.6
455.05789	0.7
515.08606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06385	0.2
55.01880	0.6
57.03433	0.4
59.01380	9.4
61.98829	1.8
65.22417	0.2
67.91455	0.3
69.19174	0.2
69.31973	1.3
71.01374	0.9
71.05029	2.5
72.73641	0.3
73.02945	2.3
77.01572	0.3
82.95448	0.2
83.01375	0.3
83.05022	1.5
84.95110	0.2
85.02965	0.5
89.02428	0.5
95.01407	0.3
95.05028	1.0
96.96011	0.4
99.00887	0.3
99.04521	0.5
101.02420	0.4
101.06069	0.8
101.22902	0.3
106.32270	0.2
113.02412	0.5
113.06080	0.4
120.22976	0.2
123.23914	0.2
125.02421	0.5
131.07106	0.6
136.05287	0.4
137.06070	0.5
143.03500	0.4
148.08163	0.2
149.06059	0.2
153.01891	0.3
161.04559	0.3
168.27673	0.2
177.01886	0.7
192.00636	0.3
221.15497	1.7
247.16983	0.5
249.14941	8.7
251.16537	0.2
267.16211	0.3
277.14410	0.5
279.16000	3.0
287.20151	1.0
291.16080	0.3
293.17422	0.7
299.20102	0.9
309.16986	0.3
315.19833	0.3
333.20667	0.5
335.22183	1.7
351.21735	7.2
351.26004	0.5
353.23303	100.0
354.23593	3.3
395.13467	0.6
395.20782	0.5
455.23087	0.5
471.22299	0.3
479.08139	0.4
479.14862	0.3
515.21277	1.8
515.28522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2857
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
50.06385	0.2
55.01880	0.6
57.03433	0.4
59.01380	9.4
61.98829	1.8
65.22417	0.2
67.91455	0.3
69.19174	0.2
69.31973	1.3
71.01374	0.9
71.05029	2.5
72.73641	0.3
73.02945	2.3
77.01572	0.3
82.95448	0.2
83.01375	0.3
83.05022	1.5
84.95110	0.2
85.02965	0.5
89.02428	0.5
95.01407	0.3
95.05028	1.0
96.96011	0.4
99.00887	0.3
99.04521	0.5
101.02420	0.4
101.06069	0.8
101.22902	0.3
106.32270	0.2
113.02412	0.5
113.06080	0.4
120.22976	0.2
123.23914	0.2
125.02421	0.5
131.07106	0.6
136.05287	0.4
137.06070	0.5
143.03500	0.4
148.08163	0.2
149.06059	0.2
153.01891	0.3
161.04559	0.3
168.27673	0.2
177.01886	0.7
192.00636	0.3
221.15497	1.7
247.16983	0.5
249.14941	8.7
251.16537	0.2
267.16211	0.3
277.14410	0.5
279.16000	3.0
287.20151	1.0
291.16080	0.3
293.17422	0.7
299.20102	0.9
309.16986	0.3
315.19833	0.3
333.20667	0.5
335.22183	1.7
351.21735	7.2
351.26004	0.5
353.23303	100.0
354.23593	3.3
395.13467	0.6
395.20782	0.5
455.23087	0.5
471.22299	0.3
479.08139	0.4
479.14862	0.3
515.21277	1.8
515.28522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90812	1.8
69.35664	8.8
77.26045	1.7
78.32167	1.7
84.59837	1.6
89.90089	1.5
98.22589	4.0
106.34959	1.5
109.15019	1.7
136.05296	2.9
136.61632	1.8
137.06030	3.3
145.74323	1.7
149.06064	5.3
203.74030	1.6
321.34744	1.7
435.32828	2.3
437.27231	2.6
479.31799	100.0
480.32138	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	515.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06034	0.7
89.27694	0.6
92.08018	0.7
93.12360	0.7
95.01397	3.1
96.02167	0.9
109.02932	1.2
115.92089	0.7
118.92897	0.8
119.66804	0.8
122.99986	0.9
123.00885	18.3
124.01638	3.2
137.02455	7.6
138.03175	2.0
141.31010	0.8
147.74364	0.6
151.00400	1.8
151.03979	1.6
152.01180	1.0
165.01912	5.7
179.03560	1.8
179.07103	1.0
191.03465	0.8
194.88878	0.8
217.05005	1.2
221.08241	0.9
235.13341	1.2
237.14917	4.1
237.95552	0.8
249.15034	1.0
251.16528	1.5
263.12787	2.4
265.14432	1.5
277.14542	1.6
291.16037	1.1
303.15936	1.1
316.16589	1.1
319.18945	0.8
326.21902	0.9
331.22809	0.9
333.20709	5.5
401.30676	2.4
417.30209	1.4
427.21793	0.7
427.28198	0.9
429.26215	0.9
443.31473	4.5
457.25922	3.5
467.24026	1.0
470.22778	1.4
471.30801	2.5
485.25446	19.3
487.30579	1.6
500.27859	2.8
504.66312	0.8
515.30121	100.0
516.30542	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	515.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
79.77058	1.7
95.01385	3.2
99.00880	2.2
108.02143	2.1
111.00912	1.8
111.79062	1.7
112.98803	2.9
120.42736	1.6
123.00874	16.2
124.01670	7.2
127.00369	3.3
134.03711	2.4
137.02487	4.3
138.03242	2.6
174.03241	2.3
175.04022	7.1
187.04076	1.8
188.04738	3.3
189.05569	5.4
191.03540	5.5
191.14447	6.9
201.05421	1.9
203.03505	9.1
204.04352	5.3
205.53775	2.1
217.04961	7.3
221.15508	4.6
233.15376	2.5
235.16866	1.8
237.14952	43.3
249.14966	8.5
250.15901	2.6
251.16544	17.9
263.12927	14.5
265.14435	16.0
273.15015	2.7
274.15695	8.5
275.16583	3.4
277.14383	10.7
287.16446	4.1
288.17139	4.4
289.14590	3.8
300.17191	2.1
301.18127	2.3
303.15851	9.0
315.15897	6.4
316.16803	19.7
317.17474	3.2
332.15790	1.9
381.79007	2.0
401.30594	26.3
415.32483	2.8
416.28976	2.8
417.30078	18.4
425.30795	5.0
427.32712	4.1
441.30057	8.4
443.31625	43.3
453.30231	7.2
471.31204	31.5
487.30630	16.3
497.28995	6.7
515.30127	100.0
516.30322	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	515.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08118	0.4
65.11956	0.5
69.19084	2.6
93.86376	0.5
109.02949	0.9
110.03748	0.8
123.00890	0.9
123.04540	1.2
125.02431	0.8
137.02441	15.4
138.03267	2.4
151.03996	5.1
153.01892	0.9
160.16898	0.5
165.01910	0.7
166.02687	1.5
179.03543	2.9
187.88588	0.5
193.04999	0.8
193.08641	0.8
198.01701	0.8
200.33438	0.5
202.06412	0.9
222.08727	0.5
237.15092	0.7
249.11333	0.6
253.14490	0.9
259.13339	0.7
265.14401	0.5
275.16330	0.5
277.14453	0.7
291.16031	0.9
303.15860	0.8
305.17795	0.8
305.21271	1.8
315.15744	0.6
319.19162	1.0
333.20639	5.8
399.29095	1.3
410.15463	0.5
427.28430	1.3
429.26572	0.6
443.31558	0.7
453.22809	0.7
457.25903	3.3
471.31274	1.4
472.27454	0.7
485.25424	9.3
500.27991	0.9
515.30109	100.0
516.30353	4.7
528.32550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
71.14013	0.8
79.58057	0.7
81.03455	0.6
83.99177	0.7
95.01363	0.8
98.58490	0.8
109.02950	2.3
110.03740	1.2
122.03710	1.8
123.00877	1.9
123.04519	2.9
124.01641	2.1
125.02454	1.3
136.01704	1.5
136.05235	0.8
137.02441	25.0
138.03239	11.0
139.03984	0.8
149.02406	0.7
150.03229	1.5
151.02826	1.3
151.04004	15.1
153.01964	1.8
162.74635	0.7
163.03979	0.9
164.04779	1.5
165.01932	1.3
165.05515	1.7
166.02698	1.9
175.03911	0.6
179.03505	11.6
188.04794	1.1
193.08681	1.3
193.48857	0.7
205.35030	0.7
215.03586	0.6
235.09779	1.0
263.12689	1.1
263.16336	0.7
277.17966	0.8
291.16174	1.4
291.19467	0.8
305.18158	0.7
305.21240	3.2
333.20670	2.9
385.27536	1.0
401.26880	1.6
411.25137	1.5
421.23987	1.1
429.26352	4.0
439.24866	2.5
443.30768	3.3
449.23248	2.1
450.24081	1.1
457.25873	15.8
457.31769	1.3
467.23950	3.1
468.25140	2.6
472.28210	1.4
483.27441	10.9
485.25375	34.3
486.25555	1.8
500.27493	4.3
515.30054	100.0
516.30573	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
57.03419	0.1
58.00595	0.1
59.01376	5.8
69.08544	0.5
71.01379	3.7
72.99290	0.1
73.02628	0.1
73.02943	1.0
78.95882	0.3
81.79373	0.1
83.01385	0.5
83.04997	0.1
83.92751	0.1
85.02541	0.1
85.02954	1.0
87.00881	0.6
89.02443	3.1
91.03992	0.2
95.01382	0.4
97.02931	0.2
98.21902	0.2
99.00851	0.2
100.74185	0.1
101.02439	3.9
103.03983	0.2
107.82083	0.1
113.01705	0.1
113.02449	1.7
115.04015	0.1
119.03503	0.8
124.26276	0.1
125.02421	0.1
127.04060	0.1
131.03574	0.1
133.05051	0.3
141.63055	0.1
143.03474	0.3
149.04565	0.1
152.99574	0.6
157.05029	0.2
161.03200	0.1
161.04552	1.4
165.94450	0.1
166.46732	0.1
179.05544	0.4
184.21126	0.1
235.08191	1.0
248.58131	0.1
253.09270	13.2
254.09599	0.2
261.22110	0.3
279.23270	100.0
280.23611	2.6
287.80948	0.1
293.24884	0.1
455.78989	0.1
515.30634	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	516.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10957	0.9
59.01372	2.8
61.98829	9.4
69.22372	2.4
69.22779	3.5
71.01392	2.4
73.02956	0.9
74.28863	1.0
84.28840	1.0
95.01389	2.1
101.02415	1.7
107.01363	3.3
111.00872	1.9
113.02454	2.7
123.00898	11.6
124.00822	1.6
124.01661	19.9
125.02447	30.0
126.02753	1.3
126.90427	1.1
133.73711	1.1
139.00354	1.6
139.03999	5.6
140.01198	1.3
141.01964	2.7
151.00357	5.1
168.00630	7.6
169.01418	34.6
183.02917	4.8
225.04184	1.0
253.03427	1.0
264.51407	1.0
285.06171	1.9
297.06332	1.6
313.05652	8.1
327.07092	2.2
453.10352	100.0
454.10635	2.0
516.17615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
61.98829	100.0
69.39458	1.5
71.01371	0.5
80.14890	0.3
84.91657	0.3
86.00541	0.3
86.78105	0.3
89.40030	0.3
92.44239	0.3
101.02436	0.4
110.65549	0.4
121.02954	56.6
122.03323	0.4
189.55128	0.3
304.59534	0.3
332.40802	0.3
395.92349	0.4
413.44266	0.3
444.39905	0.4
515.28802	0.4
516.28760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.02138	1.7
57.03432	4.4
59.01379	61.0
61.98819	3.5
69.42870	3.9
69.43273	5.8
69.51047	1.8
71.01382	48.4
73.02944	18.5
75.00895	1.9
83.01399	8.2
85.02954	25.2
87.00880	3.3
89.02445	11.6
95.01390	4.9
96.96042	2.3
99.00861	6.1
101.02447	37.4
109.02982	2.8
113.02460	31.1
115.92108	1.9
116.92867	6.2
119.03499	2.2
125.02461	8.3
143.03496	1.8
153.01921	2.3
154.02217	1.8
159.02989	3.8
161.04567	20.3
167.03473	2.4
192.00645	4.4
193.00977	2.9
207.02975	3.1
267.07162	5.8
311.14960	16.0
341.06683	2.0
473.20251	100.0
474.20642	3.2
478.10693	2.6
517.18903	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	516.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17119	0.9
58.07167	1.0
61.98829	100.0
69.27415	5.1
75.22764	1.1
77.01543	1.0
101.88896	1.0
120.42980	0.9
453.26141	1.5
460.20752	1.2
488.23224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23208	0.2
61.98827	100.0
62.60173	0.2
69.62183	0.5
71.64461	0.2
78.95886	1.4
81.03432	0.3
82.18546	0.2
83.11517	0.2
90.31763	0.2
90.44189	0.2
95.82010	0.2
96.96014	0.2
98.22659	0.4
106.55453	0.2
126.30792	0.2
127.23377	0.2
137.06088	0.7
152.99583	2.7
153.99954	0.6
171.00671	0.2
196.55107	0.2
202.13120	0.2
220.89137	0.2
245.87138	0.2
256.10818	0.2
321.52188	0.2
363.25150	0.3
424.07419	0.2
434.23969	0.8
516.34119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92844	0.8
59.01353	1.1
61.98828	100.0
71.45474	0.9
77.79914	0.9
122.03756	1.1
152.99539	1.3
158.66856	0.8
218.48033	0.8
442.26682	1.2
478.26492	2.6
517.28101	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	517.003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	76.2
61.98830	1.4
64.96587	0.5
69.15731	1.8
69.16138	1.0
100.78327	0.5
132.98195	1.3
134.96970	0.6
156.99948	0.5
157.03580	1.5
159.01422	0.8
174.99251	34.1
201.02544	17.9
217.00290	100.0
218.00644	0.9
231.01833	0.6
315.24564	0.6
332.98108	0.6
334.97482	0.5
343.03690	4.6
359.01419	15.6
360.01804	0.6
374.99191	62.9
375.99615	1.1
431.33417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.4
59.01376	17.2
69.03461	0.6
69.25301	3.1
71.01382	1.6
73.02941	1.1
75.21163	0.5
75.34540	0.6
81.03456	1.8
82.95416	4.2
83.01381	3.5
84.95118	24.8
85.00433	1.4
85.02949	1.6
95.05037	1.3
96.95963	0.5
101.02433	0.7
105.03459	3.2
108.02132	0.8
109.02948	10.5
111.04520	0.9
113.02445	2.2
115.92075	0.5
116.92844	1.4
123.00912	0.7
123.04507	1.2
124.01688	0.7
125.02444	100.0
126.02790	1.1
132.02145	1.0
133.02937	1.1
134.03734	4.9
137.02464	6.2
139.04030	2.7
145.06647	0.5
149.02449	0.7
149.06070	1.5
153.01932	13.9
153.05536	0.6
160.01656	2.0
161.02438	40.8
162.03024	1.5
164.01193	0.6
165.01953	5.5
167.03484	3.1
175.03955	2.8
177.01912	0.7
177.05588	4.4
178.02635	2.5
179.03447	2.7
191.03439	0.7
192.00711	1.4
192.04289	4.3
193.01199	0.9
193.05058	19.5
201.05554	1.8
207.03004	0.7
207.06599	4.9
208.07358	2.5
209.04588	3.8
219.06654	2.1
221.04562	1.4
223.09711	2.8
224.06926	1.4
227.03511	0.8
239.09206	1.6
243.06712	0.7
251.05589	1.0
253.03513	1.0
255.03036	0.9
265.14444	2.0
267.07278	1.0
267.15881	0.9
268.05856	1.1
269.04504	2.3
281.13950	1.3
283.08255	3.8
284.03265	1.2
285.03827	1.1
287.05597	17.5
298.10529	3.7
305.06631	17.7
305.09924	1.0
313.12930	27.9
314.13287	0.8
315.08762	1.3
415.18082	0.9
431.09824	2.0
432.10324	1.3
457.24274	0.8
479.11566	2.0
481.11536	2.3
481.17532	1.3
517.23126	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	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.3
59.01377	62.7
60.91493	0.9
61.98828	4.0
67.01847	0.9
67.37697	0.6
68.99786	1.4
69.03455	1.0
69.24879	3.3
71.01376	20.8
72.99281	2.4
73.02922	2.6
75.00479	1.0
75.00869	15.7
81.03437	1.0
83.01344	0.9
83.05038	0.7
85.02460	1.2
85.02945	20.1
87.00871	8.8
88.98785	0.7
89.02437	7.0
91.03990	1.0
93.03445	0.6
95.01394	4.1
95.04979	0.8
99.00871	8.6
101.02412	2.7
103.00327	2.3
109.02911	0.9
111.00848	1.1
111.04497	0.9
113.02446	30.5
115.00341	1.8
116.92837	1.6
117.01920	2.2
120.01235	4.1
123.04517	0.9
124.01608	1.6
125.02407	2.7
129.01904	2.1
131.03511	0.7
137.02351	0.8
153.01846	0.8
161.04526	0.8
161.09676	1.8
161.13286	1.9
163.11197	0.8
167.03464	0.8
175.02409	2.0
177.01913	0.9
187.11183	2.8
189.09113	1.1
205.07198	1.0
205.12234	1.5
207.05022	1.6
207.10114	0.7
223.13289	1.6
231.05020	1.0
249.06119	11.9
250.06424	0.7
267.07184	63.6
268.07404	1.4
271.05887	0.7
341.15878	2.1
355.21246	6.9
415.23264	1.2
420.47546	0.7
455.18790	1.1
457.17242	1.4
457.24280	2.2
479.10822	0.8
481.11328	2.0
499.18005	1.6
517.19080	100.0
518.19507	2.8
518.25189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03448	1.1
58.00589	0.7
59.01377	100.0
61.98821	1.5
64.24385	0.6
69.03448	1.3
69.19685	3.6
71.01378	27.9
71.88458	0.6
72.99307	1.1
73.02946	19.0
75.00898	1.2
76.62455	0.5
80.06377	0.6
83.01384	8.0
85.02945	12.4
86.00060	0.6
87.00883	4.3
87.10419	0.6
89.02443	14.8
95.01394	1.9
97.02930	1.6
99.00886	3.5
101.02441	36.9
103.01482	0.8
113.02448	17.6
116.92931	0.9
119.03495	8.0
125.02444	3.3
127.04062	0.7
131.03482	8.6
137.02440	1.3
143.03496	4.8
149.04535	6.5
153.25204	0.8
159.03046	2.1
161.04546	16.7
161.05827	1.2
163.07655	12.8
179.05650	6.7
203.05612	10.3
221.06659	17.6
223.13419	6.4
245.06889	0.9
253.05185	0.7
253.10799	0.8
253.18166	0.7
263.07712	22.3
293.08807	1.6
305.08865	3.6
322.22220	0.7
385.18661	9.0
397.22321	6.5
415.23575	3.8
457.24576	5.3
475.12549	1.4
475.21844	5.4
517.22827	8.0
518.23383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
59.01377	100.0
61.98824	2.2
69.87105	1.6
69.87451	2.6
71.01379	15.4
71.42627	1.2
72.99276	1.5
73.02926	9.4
75.00868	3.6
83.01376	3.6
85.02946	9.4
87.00864	3.2
89.02427	3.7
95.01385	1.6
96.96021	2.0
98.22039	1.7
99.00877	3.4
101.02437	10.9
109.02927	1.2
111.00885	4.7
113.02444	8.9
119.03481	1.5
125.02437	3.7
134.03960	1.3
143.03522	2.0
149.04597	1.4
152.01118	2.4
158.73058	1.2
161.04500	1.2
249.06152	3.0
267.07117	6.4
269.13989	2.4
387.24188	1.6
397.22119	3.7
413.22174	2.2
415.23376	4.6
431.22681	2.9
457.24298	5.1
473.23853	20.6
491.32404	1.2
517.22986	24.9
517.30115	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	517.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58421	0.5
59.01379	42.9
61.98829	1.1
63.36376	0.4
69.03430	0.4
69.16939	1.3
69.17355	1.3
71.01380	21.3
72.99298	1.1
73.02941	8.8
81.03437	0.7
83.01372	1.5
85.02945	3.9
87.00867	1.6
89.02443	23.3
95.01385	0.8
97.02952	1.4
99.00880	12.1
101.02441	14.4
102.18491	0.4
109.02963	0.5
111.00919	0.7
113.02459	5.2
115.03986	0.7
116.92855	1.3
119.03519	3.2
122.03732	0.8
123.04525	0.7
125.02452	3.3
131.03473	3.3
137.02425	1.0
137.06079	0.5
140.42078	0.4
143.03439	0.5
149.04555	3.8
149.05763	0.7
151.03973	1.5
161.04584	1.1
161.06090	0.9
162.10445	0.4
169.01471	1.0
175.07634	2.4
190.10014	6.8
191.05557	3.0
191.10767	1.0
192.11505	1.0
205.12320	16.3
207.13901	2.1
208.10980	1.3
213.23535	0.4
221.06689	0.6
223.13377	12.6
225.89360	0.5
235.13321	0.5
265.14420	1.8
281.06534	0.7
310.65375	0.4
383.70169	0.4
385.18634	8.1
397.22281	0.7
469.11636	0.4
517.22858	100.0
518.23334	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.3
59.01377	46.6
60.01690	0.7
61.98833	7.4
68.99805	1.2
69.03451	6.8
69.32355	3.0
71.01379	13.9
72.99307	3.8
73.02937	3.2
75.00871	13.4
81.03445	1.1
81.07104	1.1
82.95403	1.6
83.01398	1.8
83.05029	2.8
84.02182	0.9
85.02950	15.1
87.00896	4.5
87.24668	0.8
88.98820	0.8
89.02444	4.6
93.03433	1.4
95.01375	3.4
97.02955	1.0
99.00882	7.8
101.02426	2.3
103.00368	2.0
108.02192	1.7
109.02940	3.8
111.04528	1.9
111.08178	1.1
111.60109	0.7
113.02448	16.6
113.06065	1.1
115.00374	2.0
116.92897	1.6
117.01949	1.4
123.04527	1.1
124.01690	1.2
125.02460	8.1
129.01958	1.5
131.03491	1.1
135.11810	3.0
137.02477	1.6
139.03978	3.8
142.13394	0.8
151.04019	0.8
157.01439	1.0
161.02473	2.1
162.77438	0.7
166.02711	0.8
167.03500	2.1
171.28258	0.7
172.15654	0.7
175.02470	2.2
175.03920	1.0
177.01939	5.3
179.03528	1.0
179.10741	4.0
189.01936	7.7
189.97098	0.7
197.11810	1.2
217.01408	12.7
219.02966	1.3
219.10240	0.8
231.03035	1.6
231.05116	1.9
249.06166	17.3
265.14227	0.8
267.07178	8.1
267.16003	5.7
287.05524	2.0
289.07040	1.0
295.06030	0.7
301.07333	0.9
313.07056	1.2
341.06686	8.0
348.38025	0.8
355.20795	1.4
357.06119	9.3
371.07635	1.4
373.13333	0.9
397.22037	1.4
415.22992	1.0
457.24796	1.9
479.07965	1.3
481.11395	18.7
499.21780	1.8
517.22968	100.0
518.23615	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	517.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38210	1.1
57.03445	5.6
59.01377	76.0
61.42680	1.0
61.46441	1.4
61.98824	10.7
67.01890	1.8
68.99815	1.5
69.35825	4.8
71.01384	21.7
72.99304	5.0
73.02941	2.2
75.00872	19.3
78.73761	0.9
83.01417	1.3
85.02950	27.3
87.00869	9.5
89.02445	7.1
91.03951	1.2
91.46302	1.1
95.01367	5.2
99.00890	8.6
99.04520	42.2
101.02400	3.3
103.00379	1.6
103.90960	1.1
107.84647	1.2
109.02958	2.3
113.01695	1.9
113.02449	27.1
115.00330	2.1
117.01921	2.9
125.02438	7.3
129.01941	2.4
142.95341	1.1
153.01921	3.8
161.02394	2.0
167.03441	1.3
175.02448	2.4
222.77997	1.0
231.04956	1.9
249.06161	20.2
249.14969	3.4
256.93396	1.2
267.07196	26.4
267.15985	1.9
287.05591	1.2
314.41522	1.0
319.61807	1.1
331.10419	1.5
349.11386	30.3
353.23196	1.4
355.24008	1.5
386.37396	1.3
390.54300	1.1
457.24512	3.2
481.11163	2.6
499.21881	15.5
517.23328	100.0
517.93872	1.1
518.23926	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	517.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06783	1.6
59.01376	2.4
61.98817	6.8
69.15836	4.7
69.16261	5.3
78.95900	3.1
108.02192	2.5
109.02937	6.5
115.86202	1.8
122.03782	2.4
123.00928	2.0
124.01648	2.7
126.73811	1.5
137.02493	10.4
138.03195	4.8
141.86778	2.0
151.04002	14.2
152.99628	2.6
163.03992	6.2
167.52029	1.7
176.64095	1.7
228.74890	1.8
257.11670	1.6
301.17920	2.6
302.18930	2.3
449.23007	4.0
461.55789	1.9
466.23514	31.4
469.72440	1.6
481.25943	100.0
482.26111	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	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03432	0.6
59.01379	100.0
61.98833	1.3
63.45971	0.4
69.94504	0.7
69.94866	0.7
71.01377	4.7
73.02940	1.8
82.95428	0.9
83.01393	0.7
85.02969	1.5
87.00877	0.8
88.98827	0.7
89.02439	2.7
95.01426	0.3
96.96003	1.7
97.02967	0.4
98.22573	0.6
99.00902	1.5
101.02443	2.8
113.02460	2.3
116.92854	0.6
119.99735	0.3
123.00896	0.5
124.01682	0.7
125.02421	1.8
128.63440	0.3
131.03606	0.5
133.05092	0.6
137.02504	0.4
149.04585	1.4
153.01938	0.7
161.04579	1.1
163.37660	0.4
168.00694	0.4
169.01480	0.6
177.05518	0.5
185.12064	0.4
192.00685	1.4
193.01350	2.1
206.02274	0.4
211.02550	0.3
217.01486	0.4
221.04698	0.4
253.18170	1.5
267.07248	0.5
313.05573	0.3
385.76083	0.4
397.22302	2.3
415.23483	1.2
435.18579	0.4
457.24506	7.0
463.22089	0.5
468.40341	0.4
473.20416	1.0
479.08228	3.8
481.17767	0.6
517.18207	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	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98830	1.1
71.01376	3.6
71.44254	0.3
73.02952	1.7
75.00835	0.3
76.51982	0.3
79.97923	0.3
82.95444	0.9
83.01378	0.5
85.02946	1.8
87.00878	0.6
88.98827	0.5
89.02443	2.3
95.01399	0.5
96.96018	1.0
97.02924	0.3
99.00900	1.5
101.02453	3.0
109.02995	0.4
113.02440	1.8
116.92886	1.0
119.03532	0.5
124.01680	0.7
125.02446	1.4
131.03531	0.8
137.02486	0.4
138.31493	0.3
149.04587	1.0
150.05667	0.4
153.01993	0.5
161.02542	0.3
161.04594	0.6
169.01486	0.4
177.05560	0.5
185.11821	0.4
191.05707	0.5
192.00609	0.7
193.01471	1.2
221.04576	0.3
231.10307	0.6
249.06270	0.4
253.18237	1.3
397.22418	2.2
415.23706	1.4
457.24371	8.5
458.24811	0.5
463.22412	0.4
473.20569	1.0
479.08322	2.5
481.17947	0.6
517.18243	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	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93050	0.3
57.03467	0.5
59.01377	100.0
60.01697	0.5
67.48797	0.3
69.19765	1.8
71.01384	2.7
73.02946	0.9
75.00855	0.5
79.64169	0.3
82.95467	0.4
83.01386	0.5
85.02931	2.0
87.00903	0.9
89.02462	0.7
95.01379	0.4
99.00870	0.8
101.02473	1.5
113.02435	2.2
121.60144	0.3
124.01690	0.6
143.03494	0.3
161.04594	1.1
249.06154	0.7
253.18153	0.5
263.13120	0.3
267.07285	0.7
267.15948	1.4
280.13153	0.5
295.06216	0.5
341.58624	0.3
354.20581	0.4
355.21140	1.5
397.22519	0.9
415.23364	1.4
435.66074	1.3
436.16193	0.5
457.24402	6.1
517.22333	7.4
518.23401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2811
Annotation	Sativanine B
Peak:m/z	Relative Intensity
56.33745	0.9
61.98830	1.6
78.95876	2.3
116.92879	1.0
122.03752	1.5
123.00867	3.3
124.01655	3.8
125.02523	1.1
125.04881	1.1
136.05296	1.1
137.02414	3.6
138.03206	3.7
151.04053	1.3
152.99611	7.6
153.01956	2.4
163.04048	1.4
167.03488	1.1
281.24658	2.0
359.25766	2.7
363.25632	1.6
369.24393	1.7
387.25293	1.8
397.23947	1.2
397.62125	1.1
403.24799	2.1
413.23428	1.4
423.32947	1.1
431.24258	1.5
435.25177	1.8
439.28430	2.1
441.22784	3.7
451.21014	1.6
457.25601	1.3
459.24030	4.3
469.22061	14.0
471.24237	1.2
473.29034	2.8
481.09137	1.3
481.29538	20.0
484.28180	2.3
487.23300	43.5
488.23663	2.0
499.30527	8.4
502.25430	4.7
512.61707	1.2
517.28015	100.0
518.28235	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	518.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81874	0.4
53.05534	0.3
57.03446	5.8
59.01376	12.8
60.01701	0.6
61.98827	100.0
69.20728	2.0
71.01390	2.9
73.02938	0.8
74.23976	0.3
74.80052	0.4
75.00872	0.6
75.31532	0.3
81.03455	0.7
83.01398	1.9
85.02953	1.3
87.00886	0.5
89.02446	1.3
95.01397	0.7
95.05040	0.4
98.19493	0.3
98.88100	0.3
99.00925	0.4
99.04517	1.2
101.02450	1.1
101.13334	0.3
103.00402	0.4
103.01505	0.4
105.03467	2.0
113.02412	2.6
116.92845	0.4
117.92897	0.3
123.04546	0.8
125.02441	54.0
126.02740	1.0
137.02448	3.6
139.04036	0.6
149.02382	0.3
161.02435	25.2
162.02794	0.5
165.01869	0.8
167.03490	4.0
168.03851	0.4
175.04002	0.5
177.01862	0.6
177.05566	1.4
201.05585	0.9
205.15944	0.4
207.10170	0.5
213.05695	0.4
225.05608	0.5
229.01347	0.4
243.06552	0.8
249.06151	1.4
267.07214	0.7
267.15604	0.4
269.04495	3.1
287.05591	23.6
288.05942	1.0
289.07089	1.0
309.16943	0.7
354.23676	0.4
355.23767	1.0
431.21735	0.5
437.18835	0.4
455.09970	2.8
482.11783	1.6
500.21423	0.4
517.22473	1.9
518.23297	6.1
519.22784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23132	0.3
57.03447	1.2
59.01375	2.8
61.98827	100.0
66.11235	0.3
69.44194	1.3
71.01385	0.3
73.03022	0.3
83.01408	0.3
102.44209	0.3
105.03513	0.4
117.59852	0.3
125.02440	9.2
137.02460	0.6
156.69853	0.3
161.02440	4.0
165.01923	0.3
167.03525	0.7
177.05577	0.4
182.60704	0.3
197.17151	0.3
218.06731	0.3
270.53723	0.3
287.05603	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	518.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.4
58.01535	0.4
59.01376	59.5
59.38550	0.5
60.01710	2.0
61.98826	100.0
65.42103	0.5
67.72610	0.5
71.01375	2.5
73.02962	0.9
81.03446	1.1
83.01392	3.0
85.02972	0.6
87.00880	0.6
89.02455	1.1
95.05015	1.2
101.02473	1.2
105.03453	3.0
106.06621	0.9
109.02998	0.6
113.02412	1.1
123.04529	2.1
124.01709	0.5
125.02440	85.9
126.02852	0.9
133.02997	0.9
137.02425	5.5
138.03249	0.6
138.04283	0.7
149.02403	0.6
150.05600	0.5
161.02440	37.7
162.93954	0.5
165.01884	1.6
167.03484	6.4
167.91840	0.5
177.05569	2.6
189.05487	0.7
191.03555	1.0
201.05531	1.6
203.07094	0.7
222.88177	0.6
225.05461	1.1
243.06552	0.9
253.18204	0.9
269.04498	5.4
282.14505	0.7
287.05585	38.0
288.05893	0.7
317.06622	0.9
374.11899	0.6
397.22015	1.3
401.07132	0.6
415.23499	1.0
450.89877	0.6
455.09946	4.9
457.24274	3.3
458.24475	1.2
482.13376	2.0
517.26355	0.6
518.24908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75497	3.1
59.01376	100.0
60.01708	3.4
61.98832	44.3
69.33395	7.8
69.33781	6.2
71.01377	16.6
72.74698	3.1
73.02938	7.3
83.23743	3.4
85.02958	5.1
89.02433	6.5
93.03450	9.5
101.02448	14.6
109.62569	2.7
113.02429	5.4
125.02433	15.7
127.17051	3.0
132.73434	3.5
137.02429	20.7
137.06120	6.2
137.09819	3.0
161.04509	5.1
192.00562	4.2
193.06573	6.0
212.49284	2.8
239.03407	3.9
253.05075	8.7
283.02335	4.3
298.04791	7.4
313.06921	3.7
377.17084	3.1
397.22128	5.9
398.22748	4.1
416.23911	3.3
458.25082	3.7
460.09988	14.9
475.12439	39.9
518.22076	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	518.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58661	2.6
54.05545	2.9
57.03423	3.6
57.22548	2.6
59.01377	100.0
61.98837	3.8
67.42220	2.3
69.03451	6.5
69.20014	12.9
71.01376	57.8
73.02945	11.4
76.33974	2.6
83.01369	4.5
85.02946	13.6
87.00881	7.1
89.02441	82.8
91.01899	10.7
93.03473	13.1
95.01369	5.2
97.02959	6.8
98.21879	5.8
101.02444	42.1
113.02442	25.2
119.01357	3.9
119.03504	42.5
121.02954	11.6
125.02443	44.5
131.03497	6.2
137.02443	8.0
139.04060	3.3
142.03632	2.7
143.03523	10.5
149.04608	4.7
151.04004	90.6
161.04510	14.4
169.01453	4.0
179.05623	24.1
186.08656	2.5
221.06668	24.7
263.07678	10.9
289.11090	2.6
323.09805	64.0
461.36255	3.0
507.81931	2.9
518.15045	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	518.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16343	0.5
59.01363	1.9
60.41735	0.5
61.98829	54.0
64.63187	0.6
71.00058	0.7
71.01372	1.3
74.07289	0.5
95.01382	0.6
96.31302	0.5
101.02415	0.8
104.03596	0.5
108.02172	5.0
122.03722	2.1
126.67106	0.6
128.73993	0.5
136.01675	0.9
136.05264	2.2
141.24924	0.5
150.03210	0.9
163.04056	0.8
164.08411	3.3
192.07935	8.4
193.12302	1.3
193.64616	0.5
194.12671	0.7
207.10252	100.0
208.10553	2.1
241.57935	0.5
248.20584	0.6
302.10950	0.6
319.94849	0.5
340.58215	0.6
443.89929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
59.01380	54.7
59.71542	0.7
60.01709	0.8
61.98829	100.0
62.51525	0.7
69.48788	1.6
69.49173	2.9
70.68633	0.7
71.01380	8.3
71.16876	0.7
73.01182	0.8
73.02954	5.8
79.76391	0.6
83.01412	1.6
84.27410	0.7
85.02970	2.0
85.81438	0.7
87.00888	0.9
89.02454	1.3
92.57112	0.8
96.96065	1.0
97.02952	0.7
99.00903	0.9
101.02428	4.6
113.02457	1.9
120.86357	0.7
125.02467	1.8
127.52074	0.8
143.03452	1.2
161.02420	0.9
161.04619	1.8
178.37643	0.7
190.51376	0.7
192.11632	1.5
203.05603	6.6
207.13890	13.6
216.09593	0.8
272.43802	0.8
316.11438	0.8
458.24899	1.0
481.20892	0.9
482.21271	1.5
518.23267	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	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28630	0.6
57.03427	3.0
59.01377	68.4
60.01701	1.8
60.53998	0.6
61.98826	100.0
63.67876	0.5
71.01376	8.3
73.02945	2.4
83.01392	1.7
85.02953	1.8
87.00889	0.7
88.39780	0.6
89.02484	0.9
101.02421	4.0
113.02477	1.8
116.09433	0.6
125.02496	1.1
131.88680	0.6
137.09720	1.1
143.03644	0.7
155.25975	0.6
157.21735	0.5
159.03166	0.6
161.04591	0.8
166.27974	0.6
170.49617	0.6
175.25473	0.5
180.67429	0.7
192.11627	2.1
203.05602	8.0
207.13896	18.8
207.15765	1.1
310.64258	0.7
330.93661	0.6
331.94345	0.7
367.30591	0.7
416.23807	1.2
458.25003	2.0
460.41583	0.7
474.24316	3.0
488.72864	0.7
518.24121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01378	46.8
60.01701	1.4
61.98830	100.0
71.01383	7.7
73.02944	13.6
74.82824	0.5
75.86938	0.4
82.95439	0.5
83.01375	3.5
85.02975	2.3
87.00896	0.6
89.02452	4.1
93.13936	0.5
94.98943	0.4
95.01418	0.8
97.02950	0.5
98.21839	1.1
99.00877	0.5
101.02447	14.6
101.03088	0.8
105.74605	0.5
113.02449	5.2
116.92882	2.2
117.92918	0.6
119.03493	3.5
125.02477	0.8
126.21233	0.5
126.90591	0.5
130.08563	0.5
131.03516	1.4
137.09755	2.6
143.03539	2.1
149.04556	3.2
161.04567	6.1
179.07112	0.9
203.05539	1.2
221.06715	2.0
223.06059	0.7
251.80136	0.5
267.07233	0.6
348.13089	0.6
398.22894	0.6
411.20389	0.6
474.20795	2.4
474.25693	0.7
518.09930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	55.8
59.40595	0.5
60.01712	1.0
61.98830	100.0
66.78669	0.5
71.01385	10.5
71.27524	0.7
73.02946	14.1
74.02490	1.1
78.91898	1.8
80.38021	0.5
83.01384	3.9
85.02938	2.9
89.02444	4.7
95.69702	0.6
96.96014	4.8
101.02442	14.9
102.83651	0.5
103.77055	0.6
113.02462	7.7
119.03528	2.5
125.02464	2.4
128.03569	1.7
131.03534	1.6
137.09741	2.8
143.03525	2.5
143.04666	2.2
149.04558	3.4
153.01857	0.6
160.00673	0.9
161.02463	1.2
161.04555	7.1
178.40347	0.5
203.05583	0.9
207.10410	0.6
207.13937	0.6
216.16072	0.5
221.06749	2.1
272.08850	0.9
288.06424	0.7
306.07550	5.8
375.64590	0.6
411.20367	1.1
415.23547	1.4
463.43811	0.7
473.23969	0.7
474.24353	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	518.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	45.2
61.98825	6.9
69.03443	2.2
69.62936	1.0
71.01376	17.8
73.02942	12.9
81.03416	1.1
83.01420	1.8
85.02959	8.2
87.00866	2.2
89.02443	17.0
95.01347	0.8
96.98811	0.8
97.02949	4.0
97.03516	0.8
98.03739	1.5
99.00873	0.9
99.04556	0.9
101.02438	24.1
103.04010	19.0
113.02438	2.1
115.04008	2.6
119.03512	9.2
125.02449	18.2
127.03997	2.4
131.03481	2.1
137.02469	1.2
142.04564	0.8
143.03537	4.4
143.04446	0.9
145.05052	3.7
163.06119	33.5
167.10767	100.0
168.11105	1.4
177.29904	0.8
191.10812	1.1
205.07121	4.9
247.08208	4.7
307.10324	21.2
307.13635	1.8
349.09879	0.9
385.34418	1.0
475.22202	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	518.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.97321	0.5
57.03450	0.7
59.01378	32.1
60.01709	1.1
69.61895	2.0
71.01382	18.9
72.99300	0.6
73.02943	4.8
73.34417	0.5
75.61263	0.5
83.01381	1.7
85.02946	6.8
86.02476	7.2
87.00869	1.3
88.75455	0.5
89.02442	12.6
95.01379	1.2
99.00874	1.7
101.02439	16.2
113.02444	7.8
119.03498	5.1
123.00899	0.7
125.02439	2.1
143.03462	0.9
149.04601	0.8
150.02788	0.5
152.03508	0.6
159.02983	1.0
161.04570	5.1
169.01471	0.7
170.01762	1.0
175.05504	0.5
179.05672	0.8
192.00676	3.0
193.01233	5.4
194.01851	3.4
207.02925	0.9
208.03316	0.9
211.02388	1.0
212.02765	0.7
216.59824	0.5
224.28639	0.6
235.02231	1.0
251.14796	1.3
269.15802	5.0
277.54044	0.6
397.22290	4.3
431.21103	15.0
432.21301	0.6
445.13080	0.6
480.08621	12.7
481.08777	1.1
482.09332	1.0
518.24286	100.0
519.24402	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	518.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03442	1.4
59.01377	42.6
60.01705	1.9
61.98828	35.4
65.31635	0.5
69.13675	1.0
69.14075	2.2
71.01380	21.7
73.02947	4.5
79.63873	0.6
80.39877	0.5
81.03483	0.6
83.01389	1.9
85.02946	7.7
86.02476	18.1
87.00877	0.8
89.01922	0.9
89.02447	11.3
95.01376	2.0
98.22668	1.0
99.00889	2.0
101.02444	16.4
107.22682	0.5
109.02937	1.0
111.00874	0.5
113.02454	8.9
116.92868	1.8
119.03514	4.5
120.01266	1.0
124.01665	2.2
125.02452	7.0
127.70310	0.5
137.02441	2.1
143.03514	0.8
145.02971	1.2
159.03006	1.4
161.04558	5.1
165.01910	0.5
168.00609	2.1
169.01309	0.5
183.03003	5.7
207.17509	0.7
229.10834	0.7
230.11249	0.5
245.08072	0.6
269.15787	6.3
271.06085	3.5
289.07135	2.7
305.06708	0.9
355.21143	2.2
356.21558	6.7
359.18262	0.5
397.22235	2.8
416.23819	0.7
431.15137	0.9
431.21051	17.6
455.09897	3.8
458.24786	0.8
474.11182	0.6
518.24298	100.0
519.16669	0.8
519.24451	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	519.1146
Annotation	Mearnsetin 3-O-(4''-O-acetyl)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
56.43554	0.3
57.03437	0.9
59.01377	48.0
60.01709	1.3
61.98829	24.1
62.59415	0.3
62.98542	0.4
63.96251	0.5
65.00356	0.3
65.47050	0.3
71.01381	4.1
72.01736	0.4
72.99300	0.8
73.02946	1.8
83.01388	1.1
85.02969	1.9
87.04569	0.4
89.02451	1.2
92.80231	0.4
95.01412	0.5
99.00900	0.8
101.02443	2.5
107.01431	1.0
113.02470	1.9
119.03459	0.5
121.25736	0.3
124.01660	1.7
125.02441	2.1
135.00848	0.5
135.98355	0.7
143.05023	0.7
149.02473	0.7
151.00388	3.5
151.71701	0.4
152.01175	0.8
153.01987	0.4
159.04550	0.8
161.04587	0.7
163.00386	1.4
164.01137	1.7
169.01427	0.8
171.04518	0.8
173.02432	0.9
175.04027	0.6
178.99863	1.4
187.04019	1.7
189.01971	0.5
190.99907	0.5
191.03568	0.5
192.00687	0.4
199.03943	0.6
203.03482	2.6
203.05644	1.2
204.06021	0.8
207.13890	2.0
208.14262	2.1
213.01929	1.1
214.02678	4.0
215.03516	3.8
217.01363	0.6
219.02942	0.6
227.03539	0.6
231.02959	2.4
235.85632	0.4
241.01483	1.2
242.02217	4.2
243.02988	4.9
245.00890	0.4
259.02478	9.1
263.39557	0.3
270.01660	4.5
271.02475	24.6
272.02966	0.8
287.01965	62.9
288.02478	2.1
315.01459	100.0
316.02200	94.5
317.02570	2.0
329.99945	0.5
330.03802	8.0
331.04575	52.4
332.04938	1.6
358.03281	0.5
373.05649	0.5
399.23923	3.5
415.23737	0.4
417.24936	1.1
459.09076	1.7
459.25925	1.1
464.80045	0.4
477.10593	1.7
504.08972	3.4
519.11426	78.5
519.24158	3.7
520.11792	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	519.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
59.56179	4.2
61.98819	19.3
69.66808	3.8
70.85417	3.8
71.01387	27.3
73.02940	10.4
83.01386	5.1
85.02926	5.0
85.50212	3.8
87.00889	5.1
89.02415	15.9
93.03436	4.7
96.95985	10.2
101.02412	11.6
111.35772	5.2
113.02415	6.5
119.03482	3.9
125.02451	8.7
137.02414	7.0
138.47650	4.3
161.04588	8.6
164.39954	4.9
189.09172	8.9
256.55438	4.6
293.08679	11.4
351.14972	4.8
394.22797	4.3
476.75574	5.2
519.16223	11.7
519.31897	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	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30839	2.0
59.01379	95.1
69.03445	3.9
69.23724	4.5
69.24128	8.8
71.01383	34.8
73.02955	17.6
81.03471	5.5
83.01372	3.4
85.02937	12.4
89.02443	21.2
91.01868	8.7
93.03437	9.8
97.02951	6.1
101.02441	32.2
103.04002	28.2
119.01335	2.6
119.03467	15.1
121.02937	10.9
125.02431	33.2
127.03951	3.0
137.02435	10.2
143.03464	3.7
145.05074	5.0
151.03999	100.0
163.06116	32.1
166.89767	2.2
170.30229	2.0
205.07301	2.4
247.08170	7.9
307.10324	24.7
333.53906	2.4
333.96814	2.4
358.51373	2.4
427.12427	4.2
445.89291	2.6
453.89859	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	519.1718
Annotation	Swertiapunimarin
Peak:m/z	Relative Intensity
56.75279	0.4
57.03455	1.9
59.01371	0.4
59.91451	0.3
59.93378	0.3
88.62227	0.4
95.05023	9.3
95.05609	0.7
98.21872	0.8
109.06600	1.2
112.40031	0.4
123.08180	0.9
124.01588	0.4
125.02452	0.5
131.08267	1.0
133.06581	1.3
136.05313	1.5
141.57361	0.4
151.07643	100.0
152.08022	1.6
168.00679	1.0
173.10439	1.3
177.05553	0.6
183.02975	1.5
195.06619	38.5
196.06946	0.6
229.10110	0.4
280.37921	0.4
357.11902	26.7
358.12112	1.2
380.34613	0.4
519.17157	36.9
520.17590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58148	0.6
59.01379	16.2
64.27882	0.7
69.88198	1.3
71.01372	2.4
73.02948	3.1
79.61929	0.5
85.02935	0.9
87.00893	0.7
87.04546	0.6
89.02441	3.0
93.03468	3.6
101.02444	4.7
103.04030	3.0
105.03434	1.3
107.05029	1.9
116.92865	3.9
119.03483	1.1
121.03001	0.9
125.02467	4.1
127.55267	0.5
151.04004	100.0
152.04324	1.6
160.50740	0.6
163.06129	4.7
169.01419	5.6
177.05385	0.6
205.07117	1.0
220.07365	0.5
307.10358	2.5
339.84271	0.5
367.35828	0.5
459.15100	1.7
519.15045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60748	2.5
59.01378	100.0
61.98836	3.3
66.23159	2.7
69.44884	8.9
69.45286	6.4
71.01382	12.3
73.02941	7.7
85.02950	3.4
89.02422	3.1
93.03451	3.3
101.02436	11.3
113.02393	5.9
137.02406	4.7
148.05453	2.9
167.03459	2.9
203.05666	3.4
223.13315	8.5
251.05966	2.8
307.42935	2.8
325.41788	2.9
439.23175	7.4
519.31250	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	519.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03456	1.0
59.01378	100.0
61.98807	1.3
69.03455	0.8
69.30462	2.6
69.30869	1.3
71.01384	9.4
72.99299	0.8
73.02947	4.4
83.01409	2.2
85.02948	3.7
87.00857	1.0
88.98803	0.9
89.02463	3.5
91.12759	0.8
93.03480	0.8
95.01421	0.8
99.00887	1.6
101.02451	9.4
113.02449	4.7
119.03527	1.1
125.02438	2.5
131.03525	1.0
137.02466	1.0
141.36411	0.7
161.04573	2.1
161.34035	0.9
169.01529	0.9
169.93568	0.8
175.01234	0.8
175.13315	0.8
179.07065	0.9
271.19226	2.1
340.75275	0.7
379.21027	1.2
389.66452	0.8
397.22253	1.2
399.23755	3.5
415.89355	0.7
417.25098	3.1
439.23285	4.7
459.25906	5.4
475.25504	4.2
519.24591	3.2
519.31909	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
57.03442	0.9
58.00599	1.5
59.01374	58.5
66.03042	1.0
69.03486	2.2
69.10559	6.3
71.01373	56.2
72.99294	1.4
73.02937	6.7
81.03450	2.9
83.01392	2.9
85.02943	7.8
87.00872	2.2
87.73737	0.9
89.02439	57.8
97.02932	8.3
99.00903	1.4
101.02441	13.5
101.27029	0.9
105.63404	1.0
107.01366	1.3
109.02953	11.4
113.02437	11.2
119.03520	2.0
121.02960	9.5
122.03715	4.4
123.04579	1.2
125.02424	27.1
125.03305	1.8
131.03497	14.2
131.47116	0.9
135.08142	2.3
136.05286	1.2
137.06110	1.9
141.22276	0.9
143.03479	3.2
147.08177	1.1
149.04552	25.8
153.01930	21.7
161.04558	1.6
165.09193	100.0
169.01410	1.0
177.09201	12.9
188.34727	1.0
191.05600	6.7
221.08183	9.4
233.06628	5.4
237.07874	1.3
271.11349	1.0
279.08609	4.6
293.08759	76.3
297.06174	7.9
309.09677	2.8
327.14435	3.5
341.27158	0.9
357.10156	1.2
383.13437	1.7
459.18881	4.7
519.15125	32.8
519.23566	3.2
520.15149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52161	1.0
55.76134	1.0
57.03440	1.1
59.01377	57.8
69.03454	3.6
69.30599	6.4
71.01381	51.6
72.99312	1.7
73.02943	5.2
77.73906	1.4
78.05831	1.0
79.42977	1.0
81.03467	3.9
83.01385	3.0
85.02950	8.1
87.00896	2.2
89.02444	52.6
97.02954	6.3
98.21918	1.9
99.00877	2.6
101.02454	12.6
108.02184	1.5
109.02964	14.9
113.02456	9.0
119.03519	3.0
121.02958	8.5
122.03737	5.2
125.02448	24.5
131.03502	15.2
135.08179	2.8
137.06088	1.9
143.03441	3.0
147.08148	2.8
149.04550	21.3
153.01944	29.8
161.04604	1.4
165.09204	100.0
166.09573	1.3
173.04501	1.3
177.09207	17.1
191.05664	7.4
221.08171	12.6
233.06670	4.1
279.08771	1.4
293.08780	65.8
297.06161	12.1
309.09595	1.4
322.20203	1.2
327.14532	2.6
361.39355	1.3
383.13303	1.3
384.20648	1.2
459.19052	2.6
501.13708	1.8
519.15088	44.4
519.22595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
59.01379	90.6
59.73896	1.0
61.98825	4.1
69.07520	8.1
71.01376	14.3
73.02944	10.0
75.00883	1.2
79.62473	1.1
83.01385	2.3
85.02954	6.8
87.00866	3.2
89.02450	6.0
95.01397	1.2
96.96006	2.3
98.21899	2.9
101.02437	13.6
111.08154	4.0
113.02444	7.9
119.03534	1.8
121.02958	2.0
125.02441	2.8
127.11297	3.4
155.10803	3.2
161.04529	2.0
167.10803	1.5
169.01474	1.5
183.17534	2.6
201.05321	1.1
205.59438	1.1
227.16522	48.4
242.97263	1.0
253.18115	4.2
378.25955	1.3
399.23834	6.2
415.23300	8.4
417.25009	3.0
433.24435	23.5
459.26370	3.0
475.25452	100.0
476.25558	2.4
519.15198	6.6
519.31665	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	519.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02880	14.0
60.90355	14.6
61.98832	20.7
69.48978	70.3
73.63959	16.3
77.81582	14.1
82.95397	15.8
84.69535	13.1
124.98762	15.3
142.62038	13.5
152.99591	16.5
175.74858	14.1
293.17508	45.3
305.80786	14.4
359.13791	17.3
417.26349	22.1
445.25876	23.8
475.30621	32.6
519.29877	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	520.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84750	0.4
57.03425	1.4
60.69222	0.5
61.98826	2.8
65.60887	0.5
65.80246	0.5
69.03432	0.8
69.18021	3.0
74.69689	0.6
75.95393	0.5
78.93330	0.5
79.01881	0.5
81.03462	1.2
86.21220	0.5
97.02950	0.8
112.69097	0.5
123.00874	0.8
124.01659	0.6
125.02437	49.9
126.02827	0.7
137.02454	1.7
139.03943	0.5
161.02396	4.1
165.01927	1.2
167.03485	1.2
169.01413	100.0
170.01781	1.2
177.05531	0.6
179.03494	0.9
193.01440	1.9
219.06544	1.1
221.04677	0.6
221.88126	0.5
269.04370	0.7
287.05771	1.1
305.06680	4.7
319.04813	0.6
328.13470	0.5
331.04498	1.5
344.12524	0.6
359.14896	1.3
362.14294	0.6
457.07678	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	520.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	5.3
61.98824	89.2
67.61180	2.7
69.20952	13.3
71.01373	20.8
73.02934	8.3
83.01402	3.1
85.02943	8.3
85.65763	2.2
89.02425	6.5
97.02898	3.1
101.02436	14.6
113.02420	8.7
125.02459	6.2
135.04510	2.9
137.02393	5.1
169.01396	8.5
176.08415	8.7
191.10762	18.8
193.12277	3.3
209.11815	58.2
218.09480	4.5
233.11832	3.1
245.56149	2.8
281.58224	3.0
309.61771	2.9
353.15988	44.3
371.17075	42.4
413.18152	81.1
418.25220	2.7
440.23618	7.2
460.26126	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	520.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.0
61.98828	88.5
71.01386	1.9
71.45655	0.6
73.02962	0.9
85.02940	1.0
89.02461	0.9
93.03446	1.2
95.01395	0.5
101.02454	1.7
104.62202	0.5
108.02164	5.2
109.02968	2.0
113.02470	1.4
123.04544	1.7
125.02454	2.1
137.02448	10.0
137.06065	0.7
138.03029	0.7
151.04019	2.3
161.04575	0.5
169.01450	1.9
169.06578	0.6
177.09193	0.8
191.10789	1.2
193.08714	1.8
194.09506	3.8
209.11819	100.0
210.12112	1.3
353.16119	3.5
371.16983	1.6
413.18277	2.6
485.07004	0.6
505.43420	0.6
519.31781	0.6
520.31726	0.7
521.33093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01377	25.5
60.01698	1.5
61.98827	100.0
62.89197	1.1
69.76302	1.2
71.01374	5.7
82.18666	1.3
85.02964	2.4
88.98775	1.4
89.02436	3.0
91.42719	1.4
101.02431	3.3
113.02406	2.2
121.56423	1.1
122.03741	27.7
125.02456	11.2
137.06084	54.5
152.44281	1.3
153.01860	1.2
161.02411	1.8
167.03516	1.7
169.01431	8.0
172.60393	1.2
177.27744	1.3
178.83759	1.2
180.47397	1.3
193.05052	1.6
195.69383	1.3
209.11815	74.0
210.12036	1.6
409.17780	1.3
461.19452	1.5
520.24097	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	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	71.1
60.01711	2.0
61.00948	1.6
61.98827	100.0
65.67662	1.7
66.13623	1.8
68.75843	1.9
70.34916	1.6
71.01373	10.5
72.99290	1.9
73.02944	5.6
85.02898	3.7
88.98795	2.6
89.02440	7.3
95.95289	1.5
96.95997	1.6
99.00883	1.7
101.02454	7.0
101.81082	1.5
104.11117	1.5
109.51907	1.7
113.02446	5.2
114.82772	1.9
122.03722	2.0
125.02438	7.6
137.06108	3.1
153.01945	2.7
161.04565	1.9
167.10771	7.4
169.01393	6.9
179.05627	2.0
209.11800	5.1
216.10907	1.8
223.09773	2.4
315.12332	2.3
353.16071	2.4
371.20859	2.0
397.00122	1.7
413.21750	2.8
477.23236	6.0
521.16382	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	520.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
57.03447	1.7
59.01377	28.5
60.78809	0.9
61.98831	13.4
67.34289	0.9
70.68631	1.6
71.01009	1.8
71.01385	30.0
71.18842	0.9
73.02942	14.2
75.00877	1.2
75.88845	0.9
83.01367	5.4
85.02948	14.4
89.02444	6.9
94.86839	0.9
95.01373	2.7
96.96009	1.2
97.02945	1.2
99.00858	3.4
101.02441	26.6
111.00883	1.5
113.02451	12.7
119.03445	1.6
122.03699	1.5
125.02451	7.2
129.60887	1.0
137.06058	1.7
143.03490	2.4
149.09727	2.8
159.02957	2.0
161.04556	17.0
169.01422	2.1
179.05579	1.8
191.03534	1.4
209.11797	2.0
218.69983	0.9
221.06662	1.5
232.35893	0.9
256.77716	0.9
287.64911	1.0
315.18076	11.4
323.09845	1.9
433.68787	1.0
477.23392	100.0
478.23810	3.6
520.23352	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	520.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26756	0.5
61.98828	100.0
72.90379	0.6
78.95918	1.8
109.02961	1.9
116.92876	0.6
125.02438	0.9
137.02457	4.3
138.03340	0.7
151.03999	3.1
152.99622	1.5
157.52820	0.6
158.00723	0.7
163.00438	0.7
301.01382	0.7
383.22495	0.6
425.23718	1.7
442.23596	17.7
442.29245	1.1
457.25946	48.3
458.26489	2.3
482.26974	0.7
545.71246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60988	0.7
61.98806	1.8
69.14864	2.8
69.15267	1.7
78.95901	41.7
83.20514	0.7
92.10971	0.9
96.96966	6.1
97.63028	0.9
107.18893	0.8
150.98001	1.8
152.99585	100.0
162.83904	7.2
171.00641	3.5
217.25299	0.8
279.23077	1.3
433.23575	24.0
520.26624	6.3
521.27789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91798	0.3
61.98829	100.0
69.51611	1.4
81.03457	4.0
83.80220	0.3
92.79063	0.3
137.06075	10.5
137.82835	0.4
165.05519	0.5
218.58876	0.4
288.53311	0.4
442.27380	1.7
457.29700	5.4
457.35529	0.6
474.99222	0.4
520.29926	0.6
521.32672	8.0
535.41638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.63880	0.5
69.64241	0.3
78.95918	0.5
79.39638	0.2
79.44676	0.2
107.30650	0.2
109.02906	0.2
125.46645	0.2
137.02522	0.2
152.99597	1.0
160.84207	3.8
190.66124	0.2
241.03305	0.2
435.25598	0.3
442.27237	1.3
457.29581	3.6
485.29391	0.3
520.22705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
60.99306	14.7
61.98821	0.7
69.41066	1.2
69.41453	0.9
71.01373	0.8
74.02867	0.4
75.78563	0.4
88.98804	100.0
101.02481	0.9
108.02156	1.5
109.02872	0.7
121.02953	0.9
125.02439	3.9
126.02762	0.6
133.68851	0.5
135.27274	0.5
137.02484	0.5
151.07677	0.7
152.01176	2.9
153.01880	0.7
161.02461	0.8
191.10458	0.6
234.32593	0.4
247.65077	0.5
255.02917	1.2
255.05261	0.8
284.03250	1.2
285.03967	1.9
359.11215	0.7
374.93439	1.0
399.09204	1.1
431.09692	2.0
521.11865	2.3
521.22314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53219	0.5
57.03445	5.3
59.01377	4.4
61.98501	0.9
61.98827	16.2
69.49504	2.0
71.01375	2.7
73.02937	0.9
81.03507	0.7
81.49783	0.6
83.01391	2.3
83.92709	0.5
84.36715	0.5
85.02959	1.7
86.00098	1.1
87.00888	0.7
89.02443	2.3
95.05032	0.7
101.02429	1.9
105.03461	1.8
106.20303	0.5
106.37984	0.6
108.02175	45.9
109.02956	11.4
113.02443	1.7
118.66983	0.5
121.02957	27.0
123.04541	1.1
125.02445	46.5
126.02795	0.7
131.03510	0.7
133.02946	0.7
137.02470	2.6
138.03220	1.0
141.01881	0.6
141.79250	0.5
149.02487	0.8
152.01151	100.0
153.01949	4.2
161.02444	22.0
161.04498	0.9
162.03238	0.5
163.04008	2.5
165.01942	1.2
166.02655	0.6
167.03482	2.0
169.01421	0.7
177.05586	1.5
179.03517	1.2
197.04594	2.4
199.32600	0.5
213.83881	0.6
239.12839	2.7
262.36014	0.5
267.05063	1.1
269.04520	2.1
287.05634	8.7
301.60669	0.8
305.06689	0.8
329.15884	0.8
352.17618	0.7
387.91931	0.5
399.09299	32.5
400.09637	0.9
461.20215	0.9
520.25677	1.2
521.12976	84.6
522.13306	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.01376	63.1
61.98833	8.1
69.03442	3.9
71.01376	46.2
71.61689	1.4
72.99307	2.1
73.02935	6.9
75.00866	1.8
81.03443	3.8
83.01388	5.1
85.02944	9.6
87.00858	7.3
88.98813	3.4
89.02442	50.1
89.02998	2.5
91.01884	6.6
93.03443	5.2
95.01422	4.1
96.05732	1.6
97.02946	6.1
99.00869	3.5
101.02443	29.5
109.02943	5.3
111.00877	4.8
113.02434	20.8
119.01352	2.8
119.03502	25.8
121.02938	6.8
123.00900	4.5
125.02443	77.6
126.02788	16.1
127.00350	1.9
131.03488	6.1
137.02419	9.4
138.03181	7.1
139.03990	3.7
141.01875	1.5
143.03467	6.7
151.02837	3.5
151.04001	54.1
152.04359	2.1
153.05585	15.2
159.04533	2.1
161.02432	3.8
161.04599	10.5
166.99831	1.8
167.03447	1.9
169.01419	100.0
170.01741	44.7
179.05606	19.7
182.02176	7.5
189.05624	2.1
191.10881	1.8
193.01482	2.3
196.26898	1.5
197.04547	40.0
197.06346	2.1
199.09789	3.1
203.11526	1.6
207.10146	3.0
221.06665	15.8
235.09799	2.6
241.05064	3.9
263.07736	7.6
306.06967	4.0
313.35947	1.7
323.09805	41.4
324.09998	2.4
344.12540	5.8
345.15558	2.1
359.14978	28.8
366.83084	1.8
377.40048	1.7
398.58304	1.7
443.12036	2.5
458.08026	16.0
521.19440	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	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05824	0.5
55.01877	1.2
56.47241	0.4
57.03448	4.6
59.01382	7.9
61.98834	2.7
67.76204	0.4
69.20390	2.1
71.01378	6.9
71.01733	0.6
71.05045	0.7
73.02969	2.1
78.03759	0.5
81.03487	0.9
83.01414	1.8
85.02947	2.5
85.15372	0.4
88.98832	0.7
89.02445	2.7
91.01891	0.9
95.01419	0.9
95.05046	0.8
97.02942	0.6
98.22668	0.9
98.57470	0.5
99.00897	0.9
101.02445	4.5
105.03487	1.9
107.01406	0.8
107.05077	2.0
108.02161	2.3
109.02945	27.3
111.00809	0.5
113.02457	3.3
121.02972	0.6
123.04551	0.8
123.08169	3.6
124.01654	0.7
125.02445	52.0
126.02800	0.9
133.02997	0.7
135.04471	0.6
137.02423	2.8
137.06081	0.6
137.09726	2.9
139.04089	1.1
149.02408	0.6
149.06091	0.6
150.35245	0.4
150.53430	0.5
151.04022	4.6
152.01151	1.1
153.01935	45.8
159.04617	0.5
161.02438	21.0
161.04410	2.8
161.09698	10.3
162.03020	0.5
163.07651	3.1
165.01901	1.0
166.93274	0.5
167.03499	1.0
169.01433	1.3
170.43550	0.5
177.01797	0.5
177.05518	1.5
179.03540	0.9
179.10767	6.4
182.02234	0.6
195.02971	1.4
197.04558	4.2
201.05534	0.8
205.08693	14.6
215.07030	0.6
215.13680	0.5
219.06584	0.6
219.09970	0.5
221.04596	0.9
223.09738	77.3
224.10144	1.8
225.03998	0.6
227.27414	0.5
237.11362	0.9
243.06560	0.6
269.04559	1.1
284.24930	0.5
287.05579	9.2
288.05850	0.7
297.06143	15.4
305.06711	2.4
329.16077	0.9
341.10114	1.3
343.11682	1.0
356.12558	0.8
359.11066	1.3
374.13489	2.4
385.10394	0.8
385.15033	13.0
386.15533	0.7
389.16074	6.4
396.32095	0.5
461.20096	2.0
483.13080	0.8
503.15533	0.8
521.16382	100.0
522.16589	4.3
536.01410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03445	3.2
59.01378	13.3
59.01650	0.8
61.98838	3.2
66.92575	0.7
70.96621	0.7
71.01383	11.6
72.99319	0.9
73.02942	3.7
81.03474	1.1
83.01411	2.7
85.02941	6.0
87.00902	0.9
88.98837	0.8
89.02437	5.6
91.01879	0.8
95.01395	1.1
95.05076	0.7
97.02975	0.6
99.00885	1.2
101.02441	7.6
105.03464	1.5
107.01397	0.9
107.05076	1.1
108.02192	2.8
109.02954	33.6
111.00927	1.0
113.02459	4.7
119.03533	1.2
121.03011	0.9
123.04548	0.9
123.08152	6.3
123.08905	0.7
125.02444	18.6
125.03291	1.0
125.06146	0.8
131.03502	1.3
137.02483	2.1
137.09744	3.1
147.04501	0.7
149.04527	1.9
151.03993	5.8
152.01146	1.8
153.01935	49.9
159.04544	0.9
161.02451	8.7
161.04552	5.5
161.09718	12.4
163.07668	3.3
167.03510	0.9
169.01401	2.7
177.05551	1.3
179.10757	6.7
190.63896	0.6
195.03033	1.8
197.04498	2.0
203.03630	0.6
205.08698	18.3
206.09003	0.7
221.04544	1.4
223.09743	84.5
224.10089	1.5
236.38885	0.8
237.03906	0.9
237.11407	1.1
243.06599	0.7
287.05566	3.6
297.06140	16.9
305.06985	0.8
329.15860	2.2
359.17114	0.8
385.10379	0.9
385.15063	14.1
389.16003	3.2
461.20084	2.4
477.22464	1.0
521.16370	100.0
522.16913	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	521.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
59.01377	100.0
61.55085	3.9
61.98821	15.8
71.01368	20.2
73.02959	5.2
81.03442	4.1
85.02931	6.7
89.02451	11.8
99.00902	4.5
101.02450	13.3
107.08978	3.5
113.02438	6.2
125.02441	15.9
137.02428	4.8
141.01677	6.8
149.04581	4.6
151.04025	3.6
161.04572	6.0
161.05968	4.3
169.01329	3.7
176.08452	4.4
191.10756	40.6
207.10258	7.1
208.10626	6.9
233.06670	5.4
293.08801	28.2
306.86649	4.8
329.19809	5.2
355.70242	3.8
441.24808	8.2
461.24033	9.9
485.20328	17.5
521.18335	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	521.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90092	3.8
52.34585	4.1
52.36105	3.4
54.34929	3.8
57.03429	4.4
59.01379	100.0
61.98846	8.1
69.18380	26.4
69.69308	4.1
71.01386	20.0
73.02946	11.7
73.05324	3.9
85.02935	10.0
89.02431	8.8
91.67886	4.2
93.03452	11.0
98.95951	3.6
101.02431	13.1
113.02425	8.4
125.02450	18.7
137.02429	22.8
141.01678	9.2
151.04010	4.5
156.69560	4.2
161.02357	4.0
161.04616	4.7
167.03502	4.0
169.01387	6.2
170.21619	4.1
285.07990	4.1
293.08704	4.2
359.27985	3.9
441.24783	6.9
461.23859	26.1
521.18408	17.7
521.33240	8.6
527.26660	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	521.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50517	0.1
63.02390	0.1
65.00331	0.5
65.03947	0.4
67.01881	0.2
71.01213	0.1
76.36844	0.1
77.03977	0.2
79.01892	0.1
83.01377	0.2
91.01884	0.2
93.03448	2.0
95.01366	0.6
97.02929	0.2
105.03454	0.2
107.01387	0.3
109.02944	0.8
119.01341	0.1
121.02956	1.9
123.00832	0.2
124.01655	0.1
125.02455	0.5
135.00877	0.2
137.02438	2.9
147.00844	0.2
149.02422	0.4
151.00348	1.2
152.01004	0.1
153.01938	0.3
163.00328	0.2
165.01945	0.8
166.02670	0.3
168.05467	0.1
169.01392	0.2
172.05269	0.2
173.05960	0.1
176.01053	0.2
177.01944	1.9
177.61069	0.1
178.99884	0.3
181.01398	0.2
186.06892	0.2
187.07509	0.1
193.01404	100.0
194.01694	1.4
198.06804	0.1
199.07639	0.4
200.08389	0.8
210.06926	0.1
211.45120	0.1
213.05579	1.5
214.06357	0.3
215.07141	0.1
225.05547	0.4
226.06224	0.2
227.07086	0.2
228.04259	0.4
238.06242	0.6
241.05052	1.7
242.05873	1.2
252.07901	0.1
255.17471	0.4
256.14682	0.3
257.15326	0.2
271.17020	4.2
281.15457	0.2
283.17035	0.4
297.14990	0.2
299.16528	3.5
300.02676	0.1
309.14914	0.3
310.15656	0.9
312.13773	0.2
325.14417	0.5
326.15213	7.1
327.15976	13.3
328.16373	0.4
339.16003	0.2
439.16132	0.3
459.18170	0.1
475.17383	0.3
503.17105	0.3
521.18158	3.8
522.18542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03436	2.6
59.01379	34.9
61.98814	0.6
71.01381	19.6
71.44388	0.6
72.99305	1.3
73.02949	3.3
82.10052	0.6
83.01385	1.9
85.02939	5.5
87.00865	1.2
89.02449	14.4
90.87968	0.6
95.01432	0.7
99.00875	0.8
101.02438	2.0
108.02146	0.8
109.02949	1.6
113.02450	1.8
121.02950	2.5
122.36669	0.6
123.00878	0.7
124.01672	2.8
125.02451	20.7
131.03482	1.3
137.02429	1.1
138.03256	0.7
139.04012	3.9
149.04436	0.9
153.01945	1.5
153.05556	2.1
159.04475	0.7
161.02441	8.4
163.69594	0.7
172.05244	2.8
173.06078	2.9
177.05458	0.6
179.03456	0.6
187.07683	4.1
190.23497	0.5
191.07095	1.1
192.00641	1.3
193.01407	1.3
195.02928	0.7
197.04547	1.3
202.06189	0.8
203.07123	1.0
204.81993	0.7
223.09818	2.0
233.08022	0.9
253.05040	1.4
256.03683	3.9
257.04391	0.8
267.06601	1.0
268.03760	0.7
269.04535	0.9
271.06140	2.4
277.05157	0.6
279.06671	2.2
283.05994	3.0
283.09021	0.7
285.07870	0.7
287.05637	2.9
295.06320	2.7
295.09277	0.7
296.06940	1.9
297.07608	1.9
297.10852	0.6
298.08350	2.9
305.06686	1.2
309.07675	1.5
310.08487	1.6
311.09195	3.7
313.07233	1.1
314.08035	0.9
325.10791	5.1
326.07907	4.6
326.11536	2.0
327.08765	0.8
328.09552	2.2
329.10300	3.2
341.06421	1.0
341.10306	15.6
341.13943	0.9
342.11023	0.7
343.11823	7.0
344.08960	1.5
355.11978	1.6
356.12622	7.5
359.11343	15.6
371.14987	11.9
373.12723	0.6
374.08795	0.9
374.13672	24.3
389.16040	75.2
390.16467	2.1
470.04642	0.9
477.23380	0.8
485.06906	2.2
491.15567	0.7
506.18054	1.7
521.20270	100.0
522.20715	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	521.2027
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01369	0.9
61.98835	0.5
64.43392	0.4
67.05404	0.3
69.47273	1.6
71.01376	1.5
73.02929	0.4
81.03502	0.4
85.02953	0.3
87.11108	0.3
96.95995	0.8
101.02440	0.7
108.02138	0.5
109.02952	12.2
113.02420	0.8
121.03006	0.6
123.04543	1.1
125.02441	5.4
126.02762	1.8
157.19148	0.3
159.04504	5.2
161.04559	0.9
169.01421	9.8
170.01772	4.3
173.06068	3.9
177.05597	0.5
185.06244	0.4
189.05559	4.4
190.06348	0.7
191.07062	2.4
193.19728	0.3
202.57611	0.4
203.07127	2.1
209.04529	0.4
213.05670	0.5
225.05574	0.5
234.18243	0.3
240.04289	1.6
241.05055	8.6
255.06618	6.7
256.07343	0.7
267.06613	1.2
269.08203	1.4
281.08072	0.6
283.09662	0.4
295.09720	0.9
298.08664	0.7
299.09241	7.0
313.10834	9.1
327.12399	0.6
329.10226	4.5
343.11859	2.8
344.12613	31.9
345.12952	0.8
359.14975	100.0
360.15314	2.5
431.14590	0.6
458.07870	1.0
520.98499	0.4
521.20270	2.6
526.51666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01886	0.9
57.03446	1.1
58.00585	0.8
59.01376	26.8
64.64176	0.7
69.24051	0.5
69.29472	0.5
69.36368	2.4
69.82661	0.5
71.01377	13.7
72.99289	0.7
73.02950	5.5
74.02462	0.7
83.01392	2.9
85.02951	5.7
85.10476	0.6
86.00078	1.0
87.00868	2.3
89.02457	4.3
95.01378	1.7
99.00887	0.9
101.02444	9.7
108.02185	0.6
109.02940	1.7
111.00857	1.0
113.02471	3.5
119.03485	1.3
121.02963	4.3
129.10434	0.7
129.18414	0.6
135.04468	0.7
141.46310	0.5
145.02928	1.9
146.03726	0.8
147.04546	0.8
153.02022	0.6
159.03276	0.6
159.04544	1.8
180.07835	0.8
222.06917	0.6
223.44528	0.8
237.05734	0.7
240.04266	1.2
252.07875	0.7
253.08653	0.7
255.06656	1.5
263.07062	1.0
265.08655	0.8
267.06552	2.9
268.07410	3.0
269.08206	4.9
270.08978	2.9
280.07358	1.5
281.08185	9.5
282.09015	6.0
283.09775	7.7
293.08282	2.9
294.08945	1.4
295.09689	3.4
296.10526	1.7
297.11295	0.8
299.09396	3.1
299.12320	0.8
300.02542	0.7
300.09995	1.7
309.11386	0.7
311.09219	4.5
312.10004	1.2
313.10904	1.3
314.08035	0.8
314.11499	7.1
315.12494	4.1
326.11575	10.3
327.12402	6.2
329.13943	10.6
339.12311	0.6
340.09506	1.2
341.09982	1.1
341.13907	10.2
342.64426	0.6
343.11786	5.4
355.11865	5.7
356.93015	0.7
357.13254	0.7
368.12769	0.7
369.13699	1.0
385.14844	1.8
394.67310	0.7
447.09247	0.8
461.14548	2.0
473.14389	5.7
476.16791	9.4
477.23383	1.2
488.16696	6.4
491.19223	100.0
492.19614	3.5
503.19217	93.3
504.19406	3.6
521.19940	0.9
521.26880	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30118	0.7
55.01851	1.2
57.03436	1.8
59.01379	44.7
61.98826	1.5
64.56092	0.7
69.18538	2.8
71.01007	1.4
71.01383	22.9
72.99303	1.1
73.02946	4.9
75.69849	0.8
83.01414	2.1
85.02965	6.2
89.02442	14.3
98.22618	1.2
99.00869	1.0
101.02433	4.6
111.00905	1.2
113.02438	2.8
120.79568	0.7
121.02962	3.2
124.01664	3.1
125.02425	2.3
131.03537	1.3
131.28561	0.8
137.02483	0.8
139.04028	4.3
143.73659	0.7
153.01904	1.6
153.05602	1.1
158.03767	0.8
159.04474	3.5
160.05301	5.6
161.04535	1.6
161.06036	1.5
169.01349	0.8
172.05254	2.6
173.06059	2.5
175.07660	5.2
177.01897	1.7
177.05586	1.1
178.06337	3.4
187.07698	3.9
189.05559	1.7
191.07135	1.5
192.00580	2.5
192.07817	1.7
207.03069	1.1
253.05019	1.9
255.06589	0.9
256.03729	3.7
268.03677	1.0
269.08261	2.7
271.06049	2.1
274.49338	0.8
278.05936	0.9
279.06635	2.1
280.07428	0.8
283.06128	3.1
283.09747	2.3
295.06018	2.9
296.06882	1.8
297.07654	2.2
298.08398	2.3
299.09216	2.7
310.08545	1.6
311.09317	6.3
313.10910	1.2
314.08221	1.2
314.11569	7.0
316.09433	0.8
325.07361	0.9
325.10730	3.9
326.08444	4.3
326.11185	4.2
327.08691	1.0
329.10364	2.7
329.13898	32.2
341.10245	12.9
341.13989	7.0
343.11887	6.5
343.95895	0.8
344.08911	1.1
356.12653	7.6
359.11392	14.7
371.14993	9.6
374.13702	24.2
375.14008	1.3
389.16034	64.1
390.16400	1.4
477.23306	1.3
479.25037	0.9
506.17673	1.2
521.20227	100.0
522.20697	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55591	0.6
53.32590	0.5
54.52413	0.5
55.01872	1.6
57.03446	1.0
59.01378	33.5
61.65899	0.5
70.51840	0.7
71.01381	17.1
72.99309	0.9
73.02939	3.9
83.01389	3.0
85.02942	6.9
87.00872	1.6
88.98827	1.0
89.02444	9.9
95.01384	1.6
99.00856	1.2
101.02442	12.1
108.02164	0.6
109.02939	6.3
111.00932	0.6
113.02434	5.6
119.03489	4.4
122.25740	0.6
123.04537	0.7
131.03563	0.6
149.04549	0.7
149.73923	0.6
153.01941	2.5
159.04536	2.6
161.04530	0.7
169.87752	0.5
172.05336	1.2
173.06062	2.8
179.05571	0.7
189.05551	1.8
190.06456	0.8
191.07156	1.1
203.07097	1.0
217.08665	0.5
222.42928	0.6
223.71301	0.5
240.04259	1.1
241.05110	4.1
253.05128	0.6
255.06667	2.0
267.06683	1.0
268.07150	0.7
269.08282	0.6
281.08282	1.4
295.09720	2.2
296.10568	0.6
299.09357	2.7
311.09421	3.4
311.12692	0.9
312.10025	0.7
313.10831	5.0
326.11520	3.4
327.12384	1.0
329.10199	1.5
329.13705	0.9
341.13837	3.2
344.12628	17.9
345.13431	1.1
347.26773	0.5
359.14978	44.9
360.15280	1.6
521.20288	100.0
522.20477	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51769	0.6
55.01859	1.8
57.03439	1.5
59.01376	41.3
61.98809	0.9
70.75767	0.6
71.01379	21.7
72.99306	1.5
73.02945	5.3
75.00816	1.0
83.01374	2.6
85.02948	8.1
87.00867	1.9
88.98791	1.3
89.02435	11.3
95.01363	2.2
97.02961	0.7
99.00872	1.7
101.02448	15.6
108.02156	0.8
109.02944	6.8
111.00867	0.9
113.02443	6.9
119.03491	4.6
122.03716	0.7
123.04530	2.0
124.01680	1.1
125.02439	2.5
131.03514	0.8
136.01660	1.5
137.02473	0.8
147.04492	0.6
151.03998	1.8
153.01949	2.9
159.04495	2.5
161.04543	1.1
161.06032	0.7
169.01407	1.3
172.05301	0.8
173.06058	4.1
179.05688	1.0
179.07147	3.9
187.07625	1.3
189.05537	1.9
190.06245	0.7
191.07056	1.1
195.03033	0.7
203.07210	1.4
223.06096	1.4
229.08638	1.0
232.18646	0.7
241.05070	5.2
253.04994	1.3
255.06544	2.7
265.08664	0.8
268.07419	1.0
281.08115	1.4
295.09668	1.7
297.06125	2.3
299.09186	3.3
311.09186	3.8
311.12683	1.2
313.10736	7.1
326.11395	3.5
327.12195	1.5
329.10263	2.7
341.10187	0.9
341.13782	4.2
343.11789	1.1
344.12607	15.6
345.13391	1.1
356.12680	0.9
359.14972	49.0
360.15265	1.4
374.13510	1.3
389.15887	3.0
461.19568	1.3
463.08615	0.9
477.23557	1.5
513.32202	0.6
521.13940	4.5
521.20184	100.0
522.20648	3.5
540.76672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49509	0.3
54.53186	0.3
57.03449	0.4
59.01367	0.6
60.42498	0.3
61.98835	0.7
69.47866	0.8
69.48255	0.8
71.01378	1.6
73.02936	0.5
83.01397	0.4
83.56279	0.4
85.02975	0.4
93.52734	0.4
96.96010	0.5
97.02942	0.4
101.02444	0.8
108.02190	0.9
109.02963	13.1
113.02415	0.5
121.02956	0.5
123.00943	0.4
123.04512	1.0
124.01714	0.4
125.02460	6.3
126.02823	1.9
159.04521	5.4
161.02370	0.3
161.04561	0.9
164.50018	0.4
169.01425	10.9
170.01781	5.4
171.04413	0.4
173.06088	4.4
184.55766	0.3
185.06064	0.4
188.04887	0.6
189.05562	3.2
190.06284	0.6
191.07129	2.3
201.05702	0.4
203.07202	2.1
205.08701	0.5
213.05556	0.7
222.64651	0.4
225.05597	0.7
240.04286	2.0
241.05075	10.2
255.06647	7.0
256.07492	0.7
265.08551	0.6
267.06662	0.6
269.08234	2.1
283.09668	0.6
295.09738	1.0
298.08502	1.0
299.09293	6.9
313.10849	10.3
327.12488	0.5
329.10324	4.3
343.11926	3.0
344.12634	33.2
345.12915	0.6
355.13138	0.6
359.14987	100.0
360.15445	2.5
431.14655	0.8
449.20074	0.4
458.08057	1.1
520.98083	0.8
521.20044	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98822	11.5
62.36655	2.2
69.13939	13.7
71.01373	13.7
73.02945	4.8
75.00868	3.5
78.87489	2.7
80.91650	2.9
85.02952	5.1
101.02446	10.1
113.02431	6.9
141.01770	2.4
147.57826	2.8
161.04576	6.0
187.83449	2.4
316.30640	2.7
361.70871	3.0
399.23868	9.9
441.24835	20.7
521.27875	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	521.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47401	1.0
59.01377	100.0
61.98812	2.7
69.46117	2.1
69.46508	2.4
71.01385	9.1
73.02936	4.7
75.40482	1.0
80.52094	1.1
85.02943	4.1
85.56068	1.0
89.02432	2.5
96.77287	1.1
96.96005	1.1
99.00874	1.4
101.02420	5.9
107.05560	1.3
108.22594	1.2
112.84029	1.0
113.02431	3.4
123.04548	2.6
125.02440	2.8
137.02469	1.5
141.01686	2.3
161.04549	5.8
167.03398	1.5
171.18683	1.0
185.15625	1.1
293.08765	1.3
399.23886	7.5
416.49902	1.2
441.24872	18.0
446.83795	1.2
461.23831	2.6
500.06500	1.5
521.20721	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	521.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54066	0.4
52.12015	0.4
55.01878	1.9
57.03428	1.2
57.92197	0.4
59.01378	27.9
65.31919	0.5
71.01377	25.6
72.99306	11.4
73.02560	0.7
73.02945	11.6
75.00880	0.6
83.01378	7.0
85.02451	0.8
85.02950	12.9
87.00861	0.8
89.02433	2.8
95.01379	1.3
97.02914	1.0
99.00871	3.4
101.02435	23.3
103.04003	1.2
113.02444	10.5
125.02411	1.1
129.01912	0.6
143.03535	1.9
153.01927	0.8
153.12811	0.6
159.03012	2.8
160.35559	0.4
161.04555	16.0
223.13374	0.4
247.08116	0.5
315.18097	26.3
316.18170	0.6
417.19583	0.4
447.22137	1.4
461.23904	100.0
462.24249	3.9
521.25482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20313	0.8
51.70878	0.8
55.01864	1.0
58.00595	1.0
59.01378	100.0
61.98809	1.8
69.25755	3.9
71.01379	24.7
72.99306	1.1
73.02941	16.6
76.15292	0.8
76.55577	0.7
83.01376	3.8
84.05359	0.7
85.02954	7.2
86.00049	0.9
87.00864	3.6
87.04514	1.5
89.02437	24.8
95.01353	1.4
97.02957	0.9
101.02441	35.0
103.04010	8.2
109.02935	0.9
113.02445	8.2
115.04005	5.0
119.03494	11.2
125.02460	4.3
131.03496	5.7
135.59731	0.8
136.29955	0.8
137.02435	0.8
143.03519	6.8
143.04523	1.3
145.05046	3.9
149.04605	0.9
161.04536	1.9
163.06117	41.1
167.10771	4.1
177.09103	0.8
179.05598	4.4
205.07155	17.6
211.13312	2.1
227.16525	0.9
255.84375	0.9
265.09262	3.0
315.17993	3.4
435.25699	1.2
441.25281	1.3
461.23911	30.6
477.26901	4.6
521.33362	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01377	100.0
61.98851	1.7
69.20833	3.7
71.01003	2.0
71.01379	26.2
72.99309	2.2
73.02940	19.0
83.01389	4.2
85.02955	8.2
85.30800	1.0
85.69283	0.9
87.00867	4.1
87.04500	1.9
89.02440	30.3
95.01393	1.4
97.02969	1.0
99.00852	1.4
101.02443	37.0
103.04012	10.1
113.02458	7.9
115.03970	5.4
119.03490	12.8
119.48289	1.0
125.02425	4.5
127.04068	1.2
131.03546	4.9
143.03503	8.3
145.05040	2.7
161.02464	1.5
161.04597	2.6
163.06114	40.7
167.10770	4.5
179.05618	2.5
187.87346	1.0
197.35492	1.1
205.07127	14.6
211.13382	1.9
213.05527	1.0
247.08331	1.0
265.09219	4.5
273.20624	1.4
307.10260	1.0
315.18018	2.7
435.25714	2.2
441.24857	3.1
461.23892	30.6
477.26556	7.0
521.33392	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	521.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03434	2.1
59.01378	100.0
61.98825	4.0
63.01123	1.1
69.03445	1.3
70.63705	1.7
71.01382	44.4
72.99329	1.4
73.02941	19.8
75.00880	0.9
76.15668	0.9
83.01387	8.2
85.02951	18.4
87.00877	1.8
87.04511	1.6
88.98783	1.0
89.02445	13.9
93.03455	1.5
95.01393	3.5
96.96024	2.4
97.02972	2.7
99.00886	4.8
100.84741	1.1
101.02443	34.2
103.04010	3.6
109.02906	2.2
113.02457	14.7
115.03996	1.7
119.03502	4.3
125.02451	5.7
129.01944	1.3
131.03477	1.3
137.02425	1.8
140.15147	0.9
143.03506	3.5
145.05011	1.2
153.01927	1.0
159.03003	2.6
161.02502	1.9
161.03069	0.9
161.04559	19.6
163.06113	5.4
170.33211	1.1
205.07106	2.5
211.13461	5.1
214.17184	1.0
234.24716	1.0
247.08104	1.1
310.22333	0.9
315.18109	22.6
324.88965	1.0
359.28143	2.2
399.23383	1.3
435.25812	1.7
441.24817	3.6
461.23947	71.1
462.24176	2.8
477.26974	2.3
521.26630	1.3
521.33478	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	521.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
57.03443	3.0
58.00565	0.2
59.01375	28.6
61.98817	0.8
68.99828	0.3
69.03445	1.0
69.28510	1.3
69.66171	0.3
71.01376	20.6
72.99294	0.8
73.02940	10.0
73.03357	0.5
75.00864	1.1
83.01380	5.3
85.02942	14.2
86.00105	0.5
87.00410	0.2
87.00849	1.6
88.98817	0.6
89.02443	3.1
95.01383	2.4
96.95997	0.5
97.02927	0.8
97.06517	0.3
99.00877	3.5
101.02438	17.5
103.04004	0.7
109.02959	0.4
111.00868	3.4
111.08116	0.6
113.01690	0.5
113.02445	8.3
116.92833	0.3
119.03497	0.7
121.02963	0.6
123.00928	0.4
124.82976	0.2
125.02410	2.2
125.09695	0.2
127.11268	1.2
129.01932	1.3
131.03473	0.2
132.72786	0.2
137.02408	0.4
137.09723	1.4
141.01967	0.4
143.03494	0.5
152.01205	0.3
153.01942	0.7
153.09216	2.9
153.12851	1.0
155.10797	2.7
157.12314	0.9
159.02974	2.1
161.04547	2.9
163.06126	1.0
167.03419	0.8
169.01425	0.6
169.12305	0.3
183.13818	0.6
183.65968	0.2
186.12486	0.3
191.03535	0.3
193.01367	0.4
195.33160	0.3
201.14948	3.5
211.13385	2.2
229.14423	0.4
230.15265	2.8
253.54848	0.3
273.07635	0.6
344.97623	0.3
357.26614	0.5
359.27969	15.5
360.28424	0.5
401.25439	0.4
402.09332	0.3
417.11780	0.3
441.24826	0.4
447.22375	0.3
521.33282	100.0
522.33636	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	522.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	35.5
61.98829	100.0
64.98054	1.8
71.01373	9.6
73.02944	26.1
75.00854	2.8
75.43600	2.0
78.06031	1.7
83.01384	4.7
101.02446	13.9
105.84701	1.6
113.02465	2.8
122.54134	1.8
125.01600	2.1
125.02464	5.5
126.99580	3.5
128.53355	1.5
143.03470	2.4
155.03555	2.3
156.00212	1.8
167.06325	30.1
181.00591	5.1
203.05539	2.5
211.05290	13.8
222.08060	1.9
224.17079	1.7
225.06874	35.9
253.06393	22.1
283.07553	1.9
315.20023	1.9
327.21536	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	522.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97989	0.2
59.01382	1.2
60.01723	0.3
61.98829	100.0
68.69016	0.2
69.24360	0.9
71.01398	0.9
72.23311	0.2
73.02953	0.4
89.02428	0.4
89.24635	0.2
98.21866	0.4
100.16184	0.2
101.02457	0.4
109.02966	0.3
111.73815	0.2
125.02426	0.5
140.92342	0.2
151.04024	1.0
152.04375	0.7
153.01942	0.8
153.04565	0.3
163.06079	0.2
183.63884	0.2
282.08673	0.3
286.16913	0.2
296.71033	0.2
327.08456	0.3
330.10745	0.5
341.10162	0.4
342.10706	1.1
360.11853	0.3
401.67197	0.3
451.33057	0.2
463.22504	0.3
522.16687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61568	0.3
59.01375	2.8
59.53189	0.3
61.98828	100.0
69.41141	0.6
69.41522	0.5
71.01377	3.1
72.01714	0.4
72.99316	0.9
73.02937	0.6
75.00864	1.6
82.59329	0.3
85.02933	1.6
87.00867	0.8
88.98809	0.5
89.02464	0.6
93.03369	0.3
95.01396	0.5
99.00888	1.5
100.01209	0.3
101.02442	0.9
108.02139	0.5
109.02979	1.6
109.06628	0.3
110.03249	0.4
113.02460	1.9
115.00449	0.4
124.01701	0.6
125.02463	3.2
126.02795	1.0
132.43794	0.3
151.04005	1.0
152.01163	0.4
152.04381	1.1
159.04413	0.4
163.11325	0.3
169.01434	3.6
170.01790	1.5
171.01868	1.6
171.10262	0.7
172.10614	0.4
191.10815	0.8
192.11060	0.9
199.09753	1.7
200.10091	1.3
207.10219	1.1
208.10654	1.1
220.73219	0.3
225.11385	0.6
226.11716	0.6
235.09750	0.8
236.10075	1.3
241.05070	0.6
242.05412	0.8
249.06084	0.7
250.06566	0.4
253.10774	1.2
254.11119	1.5
255.06718	0.4
256.07080	0.3
271.11893	0.6
272.12347	0.6
300.09647	0.4
314.11194	0.4
329.10352	0.5
330.10510	0.8
331.22931	0.3
344.12616	1.2
345.12643	1.9
346.15756	1.2
359.11368	0.3
359.15070	2.5
360.15323	9.5
361.15347	0.4
371.34833	0.3
449.19983	0.8
459.08334	0.5
461.20108	0.4
476.18451	0.4
504.18130	2.8
521.18744	1.1
522.19092	24.7
523.19751	1.1
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
50.05482	0.2
50.28901	0.2
54.54525	0.2
54.70215	0.2
57.03439	0.9
59.01376	0.9
61.98826	100.0
62.23767	0.2
63.50460	0.2
71.01382	0.8
72.99301	0.3
73.02960	0.2
79.52541	0.2
83.01402	0.3
85.02943	0.4
89.02453	0.6
95.05029	0.2
101.02440	0.4
105.03550	0.2
107.45116	0.2
108.02171	3.8
108.19656	0.2
109.02476	0.9
109.03055	0.5
110.03283	0.3
113.02461	0.5
121.02958	2.2
122.03294	0.6
125.01506	0.4
125.02436	7.6
126.02766	2.0
134.11490	0.2
137.02441	0.3
140.54712	0.2
149.04578	0.4
152.01143	7.3
153.01492	3.2
161.02441	2.6
162.02815	1.3
287.05597	0.9
288.05875	0.8
337.81824	0.2
399.09119	1.0
400.09604	2.2
463.21609	1.1
482.74109	0.3
501.82703	0.3
522.13226	7.6
522.25171	0.4
523.13165	0.3
523.22363	0.2
528.53540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.0
60.88041	0.3
61.98829	100.0
64.16874	0.3
69.40166	1.2
71.01376	1.6
73.02984	0.5
75.00886	0.4
84.57052	0.3
85.02965	0.6
89.02449	0.7
98.22616	0.7
101.02467	1.2
102.02747	0.3
109.02944	2.6
110.03325	0.6
113.02519	0.6
125.02479	1.3
153.01938	2.8
154.02325	1.4
163.07697	0.4
179.07111	0.4
193.06114	0.5
223.13443	0.4
224.13809	0.9
264.02023	0.3
276.34686	0.3
297.06216	0.8
298.06393	0.8
315.18155	0.4
461.24045	0.4
462.24310	1.7
522.20593	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	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67639	0.3
59.01380	27.4
60.01714	0.7
60.16763	0.5
61.98831	100.0
71.01385	3.5
71.13531	0.5
73.02952	2.4
78.44427	0.4
83.01392	0.8
85.02959	1.7
87.00883	0.8
89.02451	3.0
101.02454	4.1
103.04021	1.0
106.06653	0.6
109.01701	0.5
113.02460	1.7
115.03970	0.4
119.03506	0.8
125.02441	0.9
131.03539	0.6
143.03557	0.5
144.08189	1.4
161.04634	0.9
163.06128	2.6
164.06454	0.9
188.07191	0.6
205.07234	1.3
206.07574	0.6
214.12454	0.6
265.09509	0.5
355.21420	0.6
373.22504	1.6
415.23300	3.4
461.23782	0.5
462.24332	1.2
478.15979	2.0
522.15637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.6
60.01718	0.5
61.98832	5.3
71.01375	4.0
73.02937	1.4
85.02930	1.2
87.00864	1.0
88.98781	0.8
89.02440	2.5
93.03457	9.7
94.03789	4.2
98.21841	1.0
101.02459	2.9
109.02966	1.2
113.02448	1.4
125.02431	2.1
128.77016	0.6
135.72450	0.5
144.08250	0.6
153.01897	0.7
155.10767	1.1
161.04521	1.3
169.06529	1.2
170.06955	1.1
183.13866	5.2
211.13379	100.0
212.13707	1.8
213.05566	6.3
214.05898	7.0
218.70502	0.6
245.04231	0.7
253.09277	12.9
447.16144	1.0
447.22299	17.3
462.31439	0.6
478.16037	1.0
479.32187	1.1
522.33557	1.5
523.18457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84875	0.5
57.74155	0.7
59.01376	21.5
60.01700	2.3
60.81154	0.6
61.98824	8.9
64.74082	0.6
68.13108	0.5
69.25281	3.4
70.50909	0.7
71.01377	5.4
73.02937	2.7
83.01392	1.1
85.02943	2.5
88.98800	0.6
89.02441	3.9
96.96007	2.0
98.21849	1.3
101.01819	0.9
101.02413	4.8
106.27357	0.6
108.48392	0.7
111.83637	0.5
113.02470	3.3
118.66395	0.6
118.69927	0.6
119.03484	1.2
125.02426	1.1
137.02417	0.6
153.01904	0.7
155.10741	1.0
161.04578	1.4
169.01390	0.6
179.05673	0.8
179.07123	1.5
183.13904	4.1
193.12306	1.6
200.22633	0.6
204.29337	0.7
205.64635	0.7
211.13383	100.0
212.13794	1.1
235.08249	0.7
235.34929	0.6
239.05624	1.3
239.12337	0.6
250.40501	0.6
253.09293	13.3
254.09586	0.7
328.99176	1.7
329.99545	1.9
344.01685	1.1
345.02109	1.2
359.04129	0.8
360.04330	2.6
360.28403	1.0
363.07324	0.7
447.22339	16.9
448.22806	0.7
522.34131	4.2
523.18500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.22882	0.2
69.94445	0.6
98.21761	0.2
99.35449	0.2
104.70709	0.2
106.92416	0.2
109.02976	1.2
109.07625	0.3
109.92583	0.2
111.72780	0.2
122.03655	0.2
124.32978	0.2
137.02460	0.9
144.73877	0.2
149.73894	0.2
151.04053	0.9
158.84668	0.4
204.14618	0.2
208.92769	0.2
214.66780	0.2
328.59332	0.2
330.64545	0.3
369.20883	0.3
400.26208	0.4
401.23187	0.3
427.24994	0.3
444.25098	4.6
445.25409	0.3
459.27512	18.3
460.27966	0.9
505.29581	0.2
523.27704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20496	2.7
71.45074	3.9
72.71868	3.0
74.53812	3.0
96.49445	3.1
103.86712	3.1
108.02206	5.9
145.50781	3.0
188.25487	3.6
199.55055	3.2
254.05702	5.0
255.06593	8.9
313.21689	11.7
417.72647	3.6
421.23810	11.2
422.24356	5.1
437.26877	39.1
464.26035	4.1
479.28036	100.0
480.28430	4.5
493.22086	11.0
508.24417	4.1
522.25537	12.5
523.26465	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	523.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07942	2.8
55.01863	4.1
57.03456	7.1
59.01379	100.0
61.98823	7.6
69.43476	14.7
71.01379	77.6
72.99316	9.2
73.02953	18.5
75.00868	15.2
77.09850	3.8
80.91693	12.2
83.01385	9.2
85.02954	38.0
87.00897	9.9
88.98797	8.2
89.02438	32.0
95.01377	12.2
95.05017	5.5
97.02988	5.1
99.00896	14.3
101.02443	32.5
103.79468	3.0
109.02944	45.3
111.00909	4.3
113.02451	45.6
115.00395	3.7
117.01894	3.8
119.03504	11.4
121.03001	4.3
123.04574	3.8
124.01659	8.2
125.02464	20.9
137.02425	4.0
139.07719	5.8
139.11322	9.5
142.22728	2.9
149.04550	5.4
153.01938	53.8
161.02426	3.4
161.04575	19.5
161.05763	4.9
163.07706	20.8
165.05519	4.4
167.03398	6.8
169.01492	18.4
177.02051	5.4
177.05595	3.4
179.07130	6.4
181.08736	4.2
183.10252	6.8
185.11781	7.3
190.02698	8.9
192.00658	29.8
195.03024	6.7
201.11311	12.0
205.01511	4.0
206.02147	4.5
207.03076	22.3
207.06537	12.6
209.11786	6.8
211.13382	6.9
224.06821	4.4
225.07639	40.6
225.99889	3.5
227.12880	7.2
229.14445	69.6
234.01660	18.4
249.03999	10.2
249.06270	8.0
255.05124	5.5
271.09479	4.3
283.09528	54.6
294.03891	6.2
297.06018	20.0
309.06110	24.8
311.09406	3.3
329.13870	3.5
330.13861	7.8
331.14151	8.2
331.17661	23.9
338.12128	3.9
387.12744	10.5
441.08380	6.4
441.17740	34.6
463.08572	14.1
463.15509	35.4
463.21875	71.6
479.21259	65.6
508.82703	3.7
523.14386	56.2
523.20538	68.9
523.27649	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	523.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57882	0.8
59.01374	10.7
61.98822	2.6
71.01388	6.1
72.99300	1.8
73.02946	2.3
75.00881	5.2
85.02952	2.2
87.00861	0.9
89.02446	3.9
96.96018	3.3
99.00874	2.4
99.92570	7.9
101.02444	3.2
109.02934	1.8
111.00893	2.1
113.02421	2.1
116.92860	100.0
116.97274	1.8
117.01943	2.9
117.92830	1.9
123.00849	1.4
125.02431	6.9
152.51556	0.9
161.04588	1.5
165.01782	0.9
167.03476	1.5
169.01385	4.1
177.01860	1.2
360.15414	1.2
361.15820	1.9
449.20285	7.2
461.20016	1.8
499.15561	1.2
523.19696	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	523.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51587	4.3
59.01373	35.1
69.18288	8.0
69.18690	15.1
71.01373	23.4
73.02910	4.6
89.02440	34.0
99.00891	4.3
101.02480	7.1
101.62624	4.5
103.50257	4.2
113.02500	4.4
125.02448	19.9
145.74998	4.7
149.04608	8.0
153.20735	4.6
172.64139	5.7
173.09537	4.3
193.12273	5.6
197.15895	4.5
223.90410	4.2
226.01601	4.2
233.06636	20.9
280.85507	4.3
293.08740	100.0
326.94861	4.9
384.44205	4.8
396.68723	4.3
449.71826	5.7
487.21768	13.6
523.19391	67.3
523.26630	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	523.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	63.2
69.17737	95.4
71.01370	42.3
87.37595	13.5
89.02447	24.5
108.59990	14.2
109.86673	15.4
125.02446	33.1
128.79764	15.9
161.19011	15.0
169.01424	25.2
174.91830	15.2
177.49649	14.7
193.12311	48.8
293.08652	53.5
376.87894	14.4
437.63803	14.7
475.79874	14.4
487.21533	26.8
523.19122	100.0
524.19763	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	523.1971
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
57.03448	16.3
59.01366	2.2
63.02388	2.7
65.00320	3.4
69.11421	5.1
82.93019	0.9
83.01379	5.9
89.46028	1.0
93.03445	2.1
95.01387	8.9
96.02156	3.9
107.01400	6.7
108.02197	1.0
109.02903	1.2
111.00891	4.7
119.01339	1.4
121.02981	4.9
121.15980	0.8
122.03767	1.3
123.00895	5.5
124.01663	17.8
125.02448	80.3
139.00366	4.3
139.03993	2.0
140.01158	1.0
143.05042	1.4
145.02922	3.7
146.03773	2.0
147.00874	2.4
147.04530	3.8
149.02463	7.9
150.03076	1.1
151.00356	25.1
152.01151	58.3
153.01926	5.3
158.03844	1.1
159.04465	5.7
171.04471	3.2
173.02348	1.3
173.06001	1.2
175.04012	1.0
178.99849	79.1
180.00645	8.4
183.04442	1.1
185.06064	1.7
187.04041	8.5
188.04785	3.1
189.05496	2.1
191.03380	1.6
193.05043	1.1
195.04620	1.0
200.04755	1.1
201.05554	5.4
202.06331	1.2
211.03951	2.7
211.65582	0.9
212.04677	1.8
213.05583	6.2
213.27902	0.9
214.06419	1.6
215.03537	5.5
216.04242	3.1
217.00175	1.4
221.15439	9.3
227.03459	3.0
229.05064	10.0
230.05727	2.8
239.03415	1.6
255.03017	4.9
256.03754	3.2
257.04517	14.4
258.05325	10.5
259.06042	1.5
267.02817	1.2
274.04807	2.1
283.02472	24.8
284.00143	1.6
284.03256	20.5
285.03952	3.6
301.03549	5.2
302.04324	19.5
397.16656	4.3
479.20831	2.8
495.20160	3.3
505.18570	8.9
523.19714	100.0
524.20081	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.01379	57.8
61.98819	2.7
69.61315	1.0
70.64909	1.1
71.01383	27.2
71.44212	1.4
72.99308	12.3
73.02940	2.9
75.00874	1.4
82.95400	1.6
83.01376	2.0
85.02934	8.3
87.00856	2.2
89.01923	2.0
89.02442	23.1
95.01382	3.5
95.05074	1.2
99.00893	5.8
101.02447	16.9
109.01785	1.1
109.02909	3.3
111.00839	2.1
111.08120	1.2
113.02442	9.2
119.03503	8.1
123.00854	1.0
125.02442	12.3
126.02679	1.5
137.02484	1.5
151.04016	1.4
161.04549	1.3
167.10767	2.3
169.01410	9.4
170.01765	2.8
171.01886	3.0
175.74876	1.1
177.01843	1.5
181.15944	8.2
190.05959	1.3
191.07014	1.5
193.15880	2.1
197.15463	1.6
209.15427	1.1
217.93535	1.1
225.14932	5.9
229.10759	3.4
237.15030	2.8
241.04935	1.7
243.05565	1.6
243.15956	2.5
249.06235	1.6
256.07104	1.8
269.13885	2.7
281.14032	7.3
287.09109	2.1
287.15021	2.2
344.12729	2.6
345.12839	3.0
346.13116	6.1
359.14911	6.2
360.15216	7.2
361.15582	17.9
401.17603	1.1
415.50232	1.3
449.20264	100.0
450.20273	2.4
461.20352	25.6
462.20334	1.8
463.21872	1.2
463.50919	1.2
479.17728	14.6
479.24045	2.0
492.76028	1.2
505.19305	10.6
522.98285	1.4
523.20459	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	523.2184
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.01866	0.4
57.03448	2.6
59.01357	1.0
61.98820	0.5
62.54533	0.2
69.03429	0.3
69.42480	0.9
71.01377	0.6
71.05012	0.6
73.02946	0.2
83.05042	0.3
85.02966	0.2
93.03417	0.2
95.05024	14.6
98.22644	0.3
109.02936	0.2
109.06602	1.6
121.06622	0.2
123.04549	0.3
123.08183	0.9
125.02445	0.5
127.90218	0.2
133.06595	1.9
136.05304	2.3
139.11256	0.6
149.06078	0.5
151.07642	100.0
152.07982	1.3
153.01918	0.4
170.64177	0.2
173.06093	0.3
175.07684	0.3
177.05507	1.1
183.10242	2.1
195.06613	40.7
196.07004	0.6
205.08801	0.2
219.06561	0.2
223.09663	0.2
339.10843	2.6
357.11896	10.4
358.12177	0.3
361.12354	0.2
523.21960	20.4
524.22119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03451	3.6
59.01378	42.6
61.98817	1.3
71.01382	27.7
73.02942	7.6
75.00868	0.7
83.01377	5.4
85.02945	11.0
85.29129	0.7
87.00868	1.9
89.02448	12.1
93.03452	1.2
95.01370	2.3
97.02985	0.9
98.21837	1.2
99.00874	2.8
101.02443	20.6
105.03420	1.0
108.02171	0.7
109.02955	3.4
111.00922	0.9
113.02449	9.2
119.03496	4.3
119.05006	0.8
121.02939	8.1
122.03744	11.6
123.04491	1.9
125.02447	20.9
126.02769	0.8
129.03497	0.9
131.03510	7.1
134.03653	0.8
135.04512	1.7
136.05301	1.1
137.02487	0.7
139.04007	0.9
143.03445	1.2
147.04536	5.6
149.04521	2.6
149.06053	1.2
159.03018	1.6
161.02444	8.9
161.04532	6.1
161.06021	2.2
165.05571	19.4
175.07661	1.0
178.06349	0.7
179.07149	6.0
191.05579	0.7
191.07091	1.4
197.04518	1.1
287.05569	3.5
298.11984	1.4
299.12854	0.8
305.06448	0.8
311.10114	0.7
313.14212	1.2
315.12357	1.5
323.36053	0.7
328.13080	2.8
329.13693	1.0
331.13800	1.1
331.17621	21.9
343.15378	2.8
346.14157	8.0
347.14984	2.0
361.16504	71.9
362.16861	1.6
463.21860	27.7
464.22354	0.7
523.21851	100.0
524.22095	5.1
543.09637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2181
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.98906	0.3
59.01370	0.9
69.07864	2.2
71.01379	1.4
73.02937	0.4
85.02960	0.8
93.03463	0.7
98.22668	0.7
101.02456	0.6
108.02135	0.4
109.02951	4.7
111.00787	0.3
113.02434	0.5
121.02045	0.3
121.02288	0.2
121.02947	11.1
122.03736	12.9
123.04529	1.2
129.03427	0.7
133.89449	0.3
134.03760	0.7
135.04535	1.4
136.05309	1.4
137.02394	0.6
145.66449	0.3
146.03648	0.5
147.04520	5.6
147.05618	0.5
148.05263	0.8
149.06079	0.8
154.02731	0.3
159.04509	0.4
161.04750	0.4
161.06096	1.2
163.04008	0.3
164.04803	0.4
165.05563	22.2
166.06033	0.3
175.07658	0.4
176.08388	0.5
178.06387	1.0
179.07123	7.9
183.34386	0.3
191.07106	0.5
209.08199	0.8
223.09702	1.0
242.13545	0.3
279.08652	0.3
298.12061	0.6
307.26343	0.3
313.14417	0.7
314.85580	0.3
315.12408	2.5
316.13364	0.4
343.15375	0.4
345.13608	0.5
346.14178	10.3
347.14465	0.3
361.16537	100.0
362.16898	3.1
386.58710	0.4
463.22006	1.0
523.21497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98819	0.6
68.52653	0.2
69.16645	1.6
71.01380	1.7
72.99306	2.6
73.02932	0.6
75.00869	100.0
85.02943	0.6
89.02446	0.7
98.21855	0.5
99.00866	0.4
101.02438	0.9
113.02471	0.8
123.04502	0.3
124.01633	0.3
125.02451	1.0
148.71526	0.3
149.06117	0.7
161.04544	0.9
169.01428	0.6
175.07674	0.5
229.08696	0.4
235.06155	0.4
293.08994	0.3
315.18051	1.3
447.22321	8.0
448.22739	0.3
523.17596	1.4
523.24756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03446	3.4
58.87501	0.8
59.01379	18.3
61.98833	7.5
69.03464	1.1
69.22755	5.1
71.01382	34.4
72.99330	1.4
73.02940	12.7
75.00903	1.4
76.65685	0.9
80.91688	2.7
81.03484	1.1
82.45744	0.8
83.01383	6.0
85.02941	16.4
87.00880	2.5
87.51877	0.9
88.98801	1.2
89.02430	4.4
95.01389	3.6
95.05042	2.3
95.57314	0.9
97.02935	1.3
99.00866	5.2
101.02438	31.0
109.02959	3.1
111.00892	1.6
113.02448	15.8
123.00874	2.7
124.01646	6.8
125.02441	20.3
137.02466	1.8
139.00433	1.2
139.03995	4.8
143.03496	1.9
151.00337	1.2
151.04012	2.1
151.07635	14.3
153.01933	4.1
159.02951	4.4
161.02415	3.0
161.04552	23.1
167.03499	4.2
168.00615	6.8
169.01416	11.6
174.98949	0.9
177.01910	4.4
183.02954	16.6
195.06682	1.2
209.11879	2.5
313.05603	1.9
327.07233	2.6
331.17596	44.6
332.18066	1.3
407.48871	1.0
463.21835	100.0
464.22177	3.4
481.06650	1.2
523.06616	0.7
523.13593	21.2
524.15015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08106	0.7
52.70026	0.7
55.01853	2.4
57.03432	2.6
59.01379	41.3
61.98829	8.8
65.83137	0.8
67.26775	0.8
71.01379	35.8
71.42572	0.8
72.99299	1.1
73.02946	12.6
75.00854	1.4
77.99207	0.8
81.03433	1.1
83.01383	4.9
84.95119	1.7
85.02952	18.5
87.00902	1.7
88.98802	1.0
89.02445	4.1
95.01373	2.4
97.02948	1.4
99.00887	6.2
101.02442	32.4
107.01382	0.9
109.02929	5.0
110.27956	0.8
111.00874	3.0
113.02442	16.6
116.92845	9.5
121.02948	3.1
123.04626	0.8
124.01684	1.6
125.02445	21.0
129.01941	1.2
131.03510	15.9
137.02472	1.5
143.03450	2.0
151.04018	1.4
153.01944	5.0
153.05476	0.8
159.02998	4.1
161.02467	1.8
161.04555	24.3
165.01915	2.9
167.03522	5.4
169.01430	11.1
177.01973	6.0
193.05029	0.8
243.02890	1.3
285.04105	1.2
303.05066	1.5
305.06537	0.9
331.17593	100.0
332.17868	2.5
423.06845	1.1
437.09039	1.1
463.21832	73.7
464.22122	2.4
523.22113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.00603	0.4
59.01378	37.4
60.41679	0.3
61.98827	0.7
69.03451	1.3
69.22830	1.9
71.01382	12.2
72.99284	1.0
73.02554	0.6
73.02947	10.0
81.03456	1.2
83.01372	1.4
85.02949	4.9
87.00877	1.1
87.04510	0.7
89.02442	8.2
95.01392	0.3
97.02935	2.5
99.00883	0.7
99.04511	0.3
101.02439	13.9
103.04011	10.6
107.06251	0.3
109.02940	0.4
113.02464	0.9
115.04016	1.4
119.03498	5.1
125.02445	10.5
127.03989	1.5
131.03517	1.4
137.09709	0.5
143.03505	2.1
145.05070	2.4
145.73427	0.3
155.10777	100.0
156.11105	1.2
163.06114	15.7
169.01416	0.4
179.10805	0.8
205.07108	2.6
222.53804	0.3
247.08157	2.6
289.09335	1.0
307.10352	12.2
308.10690	0.5
347.60739	0.3
402.01599	0.3
463.21661	5.2
487.21854	1.0
523.18701	0.4
523.33203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
56.70543	0.7
56.81362	0.8
57.03438	2.2
59.01379	26.0
61.98824	3.0
64.51024	0.8
69.03456	0.8
69.27998	4.7
71.01382	31.3
72.99299	1.1
73.02946	15.9
75.00852	1.4
77.28783	0.8
81.03437	1.2
83.01390	4.4
85.02946	13.4
85.16655	0.9
87.00855	2.2
88.98807	6.5
89.02446	8.1
95.01393	2.7
96.96009	40.4
96.96964	1.7
97.02929	3.1
99.00869	5.7
101.02441	24.8
109.02958	1.4
113.02457	13.4
115.04020	1.2
116.63092	0.7
119.03474	1.0
125.02454	5.8
125.42772	0.9
131.03458	1.2
132.38506	0.8
137.02475	1.3
143.03506	2.0
148.10043	0.8
149.04546	1.3
153.01869	1.3
159.02980	3.1
161.04559	12.9
167.03426	1.1
169.01416	1.4
176.94389	0.8
177.01865	2.0
180.82581	0.8
197.04749	1.0
209.11818	3.8
213.63161	0.8
227.12988	1.9
233.06612	1.3
271.15732	1.0
330.00137	0.8
331.17603	12.4
404.99017	1.4
433.07495	1.2
442.14902	1.2
463.21838	100.0
464.21912	3.4
479.24808	4.8
523.21613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12911	9.3
59.01368	9.7
71.13576	19.6
86.07809	10.3
92.84585	9.7
125.02382	17.6
187.93875	12.3
193.01144	11.9
196.62051	11.3
226.74857	11.9
249.92474	10.4
424.86536	12.7
467.10901	10.8
505.18655	17.3
523.32202	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	523.3271
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
50.70753	1.1
60.72432	1.2
67.35671	1.2
69.70915	3.6
72.99282	2.4
75.60125	1.3
124.01654	2.0
125.02419	1.4
129.07397	1.1
137.02477	6.3
138.03206	2.3
138.31882	1.4
150.03293	1.2
152.01184	2.9
166.02708	4.5
167.14488	1.8
178.44827	1.4
179.03534	1.6
205.15968	1.3
211.17084	2.1
237.15044	3.4
239.16495	1.7
249.14944	6.1
251.16548	2.7
255.76826	1.3
263.16461	11.3
265.14435	35.7
266.15189	5.3
277.14514	6.6
278.15176	12.9
290.15332	1.7
293.17526	1.5
295.15518	3.6
307.19095	7.0
321.20590	1.2
381.88611	1.5
443.31918	2.7
449.32751	2.1
461.32602	11.3
479.31808	5.3
493.21857	3.1
505.32114	2.3
508.24310	1.9
523.32764	100.0
524.33252	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	523.3636
Annotation	Concentricol B
Peak:m/z	Relative Intensity
57.03447	20.8
59.01358	1.0
66.38746	0.7
69.03450	1.7
71.01377	4.2
71.05000	2.4
71.13118	0.9
75.54424	0.8
79.16175	0.7
85.02450	1.4
85.02945	23.2
85.06551	2.1
88.92376	0.7
97.06007	0.6
97.06590	11.0
109.06583	1.0
113.06069	1.2
121.06564	1.1
123.08144	0.9
125.09701	1.3
126.45602	0.7
136.14319	0.7
137.09700	1.6
149.09679	1.4
151.11308	3.7
156.68756	0.7
158.48465	0.8
161.18237	0.7
167.14328	1.2
177.09236	1.6
177.12807	2.3
179.10796	6.0
179.14377	2.1
181.12260	1.0
191.10776	13.9
193.12325	6.6
193.15862	1.1
195.13910	7.7
195.17517	6.4
205.12344	2.6
205.15866	0.8
207.13901	12.1
209.11763	0.9
211.13388	0.8
219.17482	1.0
221.11644	0.9
221.15399	1.7
223.13385	15.3
223.16890	1.8
235.11047	1.7
235.13374	25.6
235.15715	1.5
236.13647	1.2
237.18575	1.8
239.12703	1.1
241.14394	3.2
247.17007	2.9
249.14888	3.8
249.18584	11.6
251.12898	1.9
251.16493	2.4
253.14465	0.9
265.17993	1.4
267.19644	7.5
293.17593	17.6
311.18625	89.0
312.18939	1.7
459.34769	5.4
487.34515	3.7
505.35504	5.5
523.36371	100.0
524.36682	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	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01385	2.7
61.98829	100.0
69.88400	0.8
71.01382	1.0
74.66868	0.3
81.77789	0.3
83.01372	0.3
85.02951	0.6
85.07921	0.3
87.38576	0.3
89.02461	0.2
92.14046	0.3
96.96026	0.5
101.02417	0.5
102.28993	0.2
113.02488	0.4
125.02464	0.9
137.02454	0.3
150.03181	0.3
163.37424	0.2
192.00636	0.3
193.01422	0.4
197.11833	0.4
271.02478	2.3
271.05054	0.3
297.18213	0.3
299.01947	5.7
300.02765	0.8
314.04306	2.2
315.05023	0.6
361.29910	0.3
378.38876	0.3
461.10934	5.8
467.92462	0.3
523.35162	1.2
524.35571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48759	0.7
54.51466	0.8
56.92142	0.8
57.03448	5.7
69.46130	2.1
69.46521	1.5
71.01391	4.1
71.05019	4.0
71.30587	0.8
81.03442	2.4
83.01379	2.4
88.04041	33.8
93.03429	2.4
95.01392	1.8
95.05035	1.7
97.02943	2.6
98.21822	1.7
99.04516	1.7
103.91910	0.8
109.02974	9.0
111.04520	7.2
116.07180	1.1
121.02956	1.4
123.00861	2.9
124.01684	2.7
125.02444	69.3
135.04527	1.3
137.02435	19.6
138.03207	1.2
139.04018	11.5
140.58682	0.9
146.08237	14.3
149.02431	1.6
151.03995	2.3
153.01970	1.6
159.04552	1.2
161.02415	3.5
163.04053	1.1
164.01134	4.3
165.01910	13.4
167.03488	18.6
169.01402	3.3
175.04002	1.3
177.01901	4.3
177.05592	2.9
178.02728	1.1
179.03514	12.1
191.07147	2.0
201.05603	1.3
203.03477	2.5
204.04327	2.2
218.10320	44.6
219.06595	10.4
221.04474	4.3
243.02826	1.8
243.06644	1.0
261.07724	2.8
305.06644	100.0
305.86978	0.9
306.06924	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	524.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98829	100.0
69.17395	3.9
72.28445	0.6
77.91510	0.7
94.02358	0.7
124.60985	0.6
125.02445	2.2
148.91064	1.2
237.11922	0.7
301.08649	0.9
328.41138	0.7
473.35239	0.8
524.10596	1.6
524.26208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71103	0.3
59.01373	4.0
61.98829	100.0
69.62275	0.3
71.01379	0.6
73.02954	0.7
77.30685	0.3
80.96529	0.7
83.01369	0.4
89.02454	0.6
93.03458	1.3
98.21849	0.6
101.02438	1.1
125.02474	1.4
137.02461	2.7
161.47198	0.3
169.01390	0.4
211.13466	0.5
414.46664	0.4
504.80313	0.4
524.19305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16404	0.4
56.78565	0.4
59.01375	1.8
61.98826	100.0
69.22388	2.1
71.01389	0.4
101.02446	0.4
125.02461	1.2
141.01674	0.5
151.14256	0.4
161.02469	0.6
177.01939	0.5
181.31036	0.4
252.61200	0.5
273.90820	0.4
317.04987	0.4
340.26880	0.4
462.95328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71103	0.3
59.01373	4.0
61.98829	100.0
69.62275	0.3
71.01379	0.6
73.02954	0.7
77.30685	0.3
80.96529	0.7
83.01369	0.4
89.02454	0.6
93.03458	1.3
98.21849	0.6
101.02438	1.1
125.02474	1.4
137.02461	2.7
161.47198	0.3
169.01390	0.4
211.13466	0.5
414.46664	0.4
504.80313	0.4
524.19305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13525	1.0
50.95614	1.1
55.01857	1.2
59.01366	4.1
66.95911	1.6
70.28482	2.5
71.01380	6.8
73.02934	1.4
82.95413	75.1
85.02953	2.1
95.01362	1.3
96.39574	1.0
96.91985	0.9
96.96024	4.5
101.02445	3.1
102.86435	1.2
109.02919	2.7
111.00867	1.7
113.02496	2.5
113.03231	1.1
121.02932	2.3
123.00867	5.5
124.01662	36.2
125.02470	6.6
137.02426	4.0
138.03214	2.3
139.00381	5.1
139.04016	3.1
153.01961	5.9
153.05544	4.5
155.03488	1.4
166.99846	2.6
167.03459	1.2
168.00633	100.0
169.01283	4.2
177.01881	2.3
181.01416	2.6
182.02203	8.3
183.02983	74.6
184.83427	1.0
197.04544	18.0
207.99460	1.1
222.33937	1.2
225.03938	1.2
305.44141	1.5
321.64716	1.3
326.06305	5.7
327.07205	5.5
341.08743	79.1
342.09064	3.0
465.22910	4.6
525.13104	5.3
525.23303	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	525.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.6
59.01369	3.7
71.01392	8.8
71.44073	2.0
72.99305	5.1
73.02940	2.0
81.03463	1.6
96.96021	1.9
97.06594	3.8
109.06593	5.3
121.02972	2.2
122.03743	2.6
125.02463	2.1
127.07656	4.4
134.03726	2.2
135.08156	6.1
145.06624	1.8
145.38272	1.6
146.59132	1.9
153.05591	2.2
153.09187	3.2
163.07658	23.0
167.03432	2.3
171.06621	5.2
179.07147	4.7
180.61777	1.6
181.08714	5.7
192.00722	2.5
199.02852	2.3
207.06560	10.6
209.02237	20.2
225.04408	5.8
225.07713	13.0
227.02338	8.5
235.03140	2.6
237.04529	2.4
243.08717	100.0
251.02283	9.8
253.03952	6.7
263.02341	10.9
265.03873	2.7
279.01865	13.8
281.03851	58.9
282.03720	2.3
283.01260	2.0
295.01355	3.8
297.02814	8.5
299.04492	48.4
302.52286	1.8
335.04517	2.5
353.05432	4.3
353.09128	3.7
381.08691	18.2
389.08926	2.6
407.10339	2.5
417.08481	3.8
435.09686	24.1
443.10382	2.1
453.10837	34.7
471.09531	9.1
473.82257	2.0
479.11813	2.3
489.10773	32.4
507.11832	77.5
508.12057	1.7
525.12878	95.3
525.51013	1.8
526.12823	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	525.1976
Annotation	Eucalmaidin C
Peak:m/z	Relative Intensity
53.09561	0.3
57.03450	0.5
59.01381	1.2
61.98826	2.9
71.01405	0.6
78.91897	0.3
89.02467	0.4
95.01389	3.2
101.62614	0.3
109.02979	0.6
111.00942	0.4
122.03757	0.4
123.00885	26.6
125.02432	1.9
137.02454	0.5
138.03227	8.7
153.01939	0.4
153.05582	2.5
155.30597	0.3
164.43887	0.4
166.99855	17.7
168.00581	0.3
171.08165	0.8
181.01445	0.8
182.02211	59.5
183.02658	0.9
197.04547	100.0
198.04836	1.8
227.07013	1.0
293.27045	0.4
341.08844	0.7
525.19812	3.8
525.26807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2104
Annotation	7beta,8beta-Epoxyroridin H
Peak:m/z	Relative Intensity
59.01385	100.0
61.98825	31.9
69.37724	27.0
71.01383	17.7
73.02941	9.9
83.01399	7.6
85.02969	9.6
123.04514	41.6
125.02470	13.8
139.04015	7.5
164.84932	8.1
181.12332	22.6
205.60594	6.8
212.78360	7.8
249.53607	7.6
249.86922	7.9
343.07956	35.0
354.30350	7.7
444.96600	11.5
483.25674	12.2
525.20905	61.5
525.27545	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	525.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03439	2.1
59.01373	54.7
61.98828	21.2
69.26877	7.5
71.01375	49.9
72.99302	22.0
73.02938	17.6
82.95415	6.6
83.01367	4.9
85.02945	12.3
89.02442	35.8
95.01414	1.4
97.02994	2.4
98.22594	3.1
99.00864	11.9
101.02428	31.2
113.02435	18.5
113.03168	2.4
117.06724	1.7
119.03498	5.2
125.02396	7.2
131.03491	5.6
138.18668	1.4
149.04523	15.3
159.02931	1.6
161.04518	13.3
174.02484	1.8
179.05556	2.2
179.82027	1.5
191.05670	3.5
316.02228	4.7
331.17770	1.9
333.19186	33.9
355.58609	1.9
448.13144	1.6
451.32651	3.3
463.08566	6.9
465.23282	100.0
466.23605	3.9
475.99664	1.7
479.25137	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	525.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14267	1.0
57.03449	5.0
59.01380	35.4
60.86551	0.9
61.98828	30.6
63.99234	1.7
65.13378	0.8
69.83732	1.4
69.84059	1.7
71.01380	44.1
73.02937	12.1
75.00854	1.5
75.44199	0.9
78.60648	1.1
78.91887	1.8
81.03474	1.4
82.95411	35.7
83.01391	4.5
83.86019	1.0
85.02946	17.3
86.03314	1.0
87.00897	1.6
88.98817	1.1
89.02438	12.4
91.02788	1.0
92.65936	0.9
93.03453	1.1
93.72589	1.1
95.01369	4.0
97.02954	2.7
99.00887	5.1
99.80203	1.0
101.02441	30.1
108.02180	2.0
109.02959	6.6
111.00924	1.7
112.58622	1.0
113.02449	20.1
119.03509	4.4
121.02917	1.2
123.00875	1.0
124.01646	2.9
125.02439	15.4
126.02785	1.8
129.46880	0.9
131.03537	1.4
137.02393	2.4
139.03999	1.9
143.03461	2.5
149.04660	1.7
151.03966	1.1
152.01180	1.7
153.01900	5.7
159.02986	3.3
161.02496	1.5
161.04556	24.0
167.03535	4.5
168.00636	1.3
169.01456	3.4
177.01895	2.7
183.03008	1.4
191.07076	1.5
200.61110	1.0
209.01282	1.3
241.07124	1.1
333.19171	53.7
334.19806	1.6
465.23334	100.0
466.23883	3.3
469.38596	1.1
507.14862	1.6
525.15948	3.6
525.23633	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	525.2833
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
61.70582	16.9
61.98821	25.5
62.30507	19.8
70.01964	18.5
70.02296	41.0
182.28897	19.0
263.25656	19.3
279.01544	18.4
289.66232	19.1
332.08606	21.1
525.28156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00821	70.5
69.66473	68.3
99.52025	72.1
140.37375	78.6
141.74030	79.7
166.90614	79.9
253.21683	83.9
392.56012	75.7
470.73975	77.5
516.14539	82.9
525.27698	100.0
544.67761	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2849
Annotation	Amentol chromane diacetate
Peak:m/z	Relative Intensity
50.23534	0.6
57.03452	0.6
60.09426	0.4
81.03436	0.5
89.73266	0.5
95.01380	1.3
102.88403	0.4
107.80688	0.5
108.02171	1.6
109.02942	15.2
110.03777	0.6
123.00885	1.3
123.04552	1.5
124.01664	2.0
125.02430	2.9
136.01620	0.6
137.01416	1.0
137.02435	11.5
138.03247	2.6
151.03998	10.6
165.05525	1.3
179.07173	1.3
193.08699	0.7
207.10304	1.9
261.15097	0.7
301.18030	2.8
302.18719	1.4
329.21265	1.2
330.21942	0.5
366.22067	0.7
372.23355	0.5
398.79626	0.5
407.26309	0.6
410.20987	1.8
424.26160	4.2
425.23233	2.0
426.24054	2.0
433.23822	1.1
450.24188	3.5
451.24872	2.2
465.26215	1.2
468.25110	23.3
469.25800	1.0
483.27505	100.0
484.27747	4.0
489.35696	1.1
525.28619	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	525.2855
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
65.21790	1.0
69.81548	1.1
69.81876	2.5
79.64477	1.2
95.01357	1.6
96.02161	2.4
110.00067	2.2
111.00842	2.2
123.00880	18.3
124.01665	10.4
125.02468	1.8
137.01564	1.4
137.02454	15.3
138.03178	1.3
139.00374	2.2
150.03181	1.8
151.00374	1.3
151.03964	1.8
152.01178	12.3
153.01932	1.3
165.01936	14.8
165.05573	1.8
166.02652	1.7
174.03357	1.1
177.05492	1.7
179.03473	4.7
191.07137	2.1
193.08679	2.0
200.04741	1.2
207.06612	1.3
221.08229	1.8
222.08961	2.1
233.08328	1.6
241.05116	1.8
245.11790	2.0
247.13388	1.3
273.11389	1.3
275.12857	4.2
287.13159	1.3
287.16400	1.8
301.14600	1.1
315.15988	1.6
315.19565	2.5
329.17514	2.4
343.19098	10.6
446.92615	1.1
453.30002	9.6
467.24310	4.8
477.22980	1.6
495.23883	19.9
525.28552	100.0
526.28949	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	525.2852
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
61.98812	3.4
66.75259	1.8
91.22045	2.2
109.02967	3.9
123.00878	4.1
123.04516	3.2
124.01663	5.5
125.02431	4.0
125.71732	2.1
137.02446	17.4
138.03209	9.0
151.04018	14.7
153.01863	3.1
165.01921	2.6
165.05530	5.9
166.02654	3.3
168.23621	2.1
179.03490	12.2
193.05064	2.2
217.08713	2.1
317.13898	2.2
329.21213	3.5
357.20636	4.3
372.02188	2.1
398.16586	2.6
418.36600	2.2
525.28473	100.0
526.28613	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	525.322
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
52.03116	0.6
57.23313	0.6
70.99063	0.7
71.30597	0.6
73.21741	0.6
88.98815	1.1
97.18277	0.6
122.03722	4.0
123.04548	5.3
124.01667	1.3
135.04517	0.8
136.05286	1.1
137.02437	2.5
138.03232	17.0
139.04015	1.8
149.06131	1.5
150.06792	0.8
151.04012	9.5
152.04764	3.5
152.99608	0.9
163.04007	0.8
164.04800	2.5
165.05562	6.6
166.02742	0.7
166.06393	0.8
177.05568	2.1
178.06366	4.6
179.07130	1.8
191.07172	1.5
221.11824	0.7
226.77881	0.7
273.15070	1.6
286.15555	0.7
287.16611	1.0
310.96957	0.6
315.19696	1.8
343.22720	1.0
356.23999	0.6
435.25305	0.9
449.26620	1.1
459.25751	0.9
467.27814	1.3
477.26376	6.7
478.27103	1.8
479.27975	2.1
493.29507	1.1
495.27509	21.6
496.27927	1.1
510.29849	28.2
511.30048	1.4
525.32245	100.0
526.32825	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	526.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
59.98265	0.5
61.98826	9.1
62.89383	0.5
69.22176	3.0
69.49675	0.4
71.01369	0.8
83.01392	0.8
88.47746	0.5
89.02429	1.0
101.02429	0.8
103.27024	0.4
107.01402	1.3
109.02917	0.7
123.00877	0.5
124.01666	2.2
125.02431	1.5
137.02390	3.2
151.00352	5.2
152.01102	0.6
154.55821	0.5
156.22072	0.5
163.00348	0.5
164.01117	1.1
165.01787	0.6
171.62556	0.5
178.99872	5.6
203.03571	0.6
204.04189	0.9
214.00693	0.8
214.02628	3.7
232.03870	0.7
242.02180	4.5
243.02905	2.8
259.02536	3.4
270.01688	5.4
271.02481	26.8
272.02881	0.7
287.02011	17.4
288.02652	1.0
294.68594	0.5
316.02213	85.4
317.02979	16.7
463.08810	100.0
464.09058	3.9
466.10339	0.5
466.23721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80392	0.8
54.18253	0.8
61.68142	0.9
61.98828	40.5
65.48022	0.8
66.30615	0.9
69.48268	3.4
74.73074	0.7
108.02172	2.8
109.02972	4.8
111.00793	0.7
121.72511	0.8
123.04530	1.2
137.02448	1.5
149.02434	2.4
151.03995	1.4
152.01183	2.4
153.01927	5.3
162.03336	1.0
164.01173	3.7
165.01906	2.3
177.01965	0.8
178.02774	1.0
190.02641	1.3
192.00642	39.4
192.60335	0.8
193.01407	49.1
194.02135	3.3
195.02974	8.3
205.01376	1.9
206.02289	1.2
207.02985	12.5
221.00854	0.9
222.01654	1.8
234.01602	5.3
235.02393	5.2
237.04016	0.9
249.03979	2.0
255.05136	2.6
266.29764	0.8
274.32333	0.9
294.03949	1.0
312.04959	1.9
314.60623	0.9
327.07120	2.6
352.61020	1.0
397.48254	0.9
421.15363	1.0
463.08810	100.0
464.09097	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	526.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.9
61.98824	100.0
71.01379	3.1
73.02940	1.2
89.02445	2.5
101.02440	1.8
101.26636	0.7
104.45047	0.8
113.02541	0.9
125.02442	3.2
134.94049	0.8
137.02429	1.0
161.04590	1.3
189.09236	1.1
264.23633	0.8
314.16235	0.7
394.19507	1.0
526.23297	5.0
527.24506	1.0
537.32898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06681	0.2
59.01379	1.3
61.98826	100.0
62.28539	0.2
69.23822	0.8
71.01381	1.0
72.01717	0.3
73.02949	0.5
79.41782	0.1
83.01417	0.3
84.48856	0.2
85.02953	0.4
96.96013	0.2
99.00911	0.2
101.02454	0.7
113.02422	0.3
125.02495	0.5
131.03540	0.2
132.03864	0.2
161.04536	0.4
162.04903	0.2
163.05069	0.3
169.01492	0.3
192.09930	0.2
301.69180	0.2
332.17908	0.8
333.17993	1.0
334.18472	1.0
464.22217	0.2
465.22672	0.5
466.22751	1.4
503.16071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01371	1.4
61.98829	100.0
68.57421	0.2
69.18615	1.4
71.01380	1.5
73.02946	0.6
73.98158	0.2
78.91896	0.8
80.91702	0.7
82.95438	1.0
85.02949	0.5
88.98788	0.5
89.02470	0.6
89.90888	0.2
90.95680	0.3
96.96009	0.2
101.01881	0.3
101.02432	1.2
113.02453	0.9
125.02482	0.7
131.20857	0.2
139.42235	0.2
145.46458	0.2
154.02257	0.3
159.03046	0.3
161.04608	0.8
163.64963	0.2
177.01886	0.2
226.09244	0.2
297.06232	0.3
317.54016	0.3
333.19290	0.9
334.19553	1.3
363.95645	0.2
465.22968	0.3
466.23633	3.4
480.22025	0.3
526.16290	0.3
526.23859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61535	0.1
52.82347	0.1
54.55184	0.2
55.18450	0.1
55.91872	0.1
57.32450	0.1
59.01386	0.2
61.98827	100.0
69.16727	0.1
69.25202	0.7
74.89751	0.1
100.70752	0.1
103.05538	0.1
155.10820	0.2
156.11078	0.2
179.25616	0.1
191.03430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.31569	0.2
61.98829	100.0
69.19653	1.3
71.01390	0.5
94.02978	0.2
96.96004	1.1
98.26339	0.2
101.02455	0.6
113.02422	0.2
138.01974	0.4
138.20531	0.2
144.05872	0.2
160.08026	0.2
172.25699	0.2
266.32489	0.2
307.15613	0.4
373.78348	0.2
445.14655	0.5
466.22974	0.3
526.16699	0.3
526.24561	0.4
545.20941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57219	0.3
57.03439	0.7
59.01371	1.5
60.32911	0.3
61.98829	100.0
64.75092	0.3
67.36019	0.3
69.24210	0.3
71.01387	1.2
71.44945	0.3
72.98640	0.3
73.02950	0.6
75.56695	0.3
81.03477	0.4
83.01393	0.8
83.80671	0.3
89.02451	0.7
101.02422	0.6
109.02969	0.4
113.02470	0.5
123.04567	0.6
125.02457	2.5
125.09969	0.3
126.02800	0.6
137.02434	0.5
140.64160	0.3
144.50095	0.3
151.00366	2.0
152.00757	0.8
155.80447	0.3
160.01591	0.3
161.02396	0.5
169.01454	1.0
175.04031	0.8
187.05945	0.3
189.72260	0.3
192.00768	0.8
193.01477	0.7
207.03163	0.3
239.19202	0.3
300.02713	0.5
316.02161	0.8
321.36026	0.4
322.17941	0.3
386.58942	0.3
447.09888	0.8
463.08939	2.5
466.23190	1.0
474.91083	0.4
526.12756	3.0
526.19983	0.5
536.83105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00549	0.1
61.98828	100.0
64.62205	0.1
69.54107	0.6
71.01370	0.4
82.02759	0.2
93.49029	0.2
101.02477	0.2
105.09502	0.1
109.02944	1.3
135.73758	0.1
153.01932	1.6
183.03049	0.3
190.02641	0.4
192.00638	1.9
193.01491	0.6
194.02206	0.2
205.01479	0.2
206.02280	0.5
207.03036	0.6
234.01730	1.0
249.04091	0.6
309.05917	0.2
316.02628	0.2
463.08780	5.9
464.09442	0.3
466.22885	0.3
526.12787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75903	1.2
59.01389	1.5
59.68477	1.2
61.98828	100.0
66.52976	1.1
71.43963	1.2
121.02955	4.7
125.87325	2.9
142.24025	1.1
245.54828	1.4
282.26117	1.2
358.97791	13.0
394.95590	1.6
402.96841	8.9
437.93448	1.6
446.95581	14.1
477.50476	1.2
490.98361	6.6
525.95178	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	526.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98513	47.4
71.45592	48.5
81.88956	35.5
82.19411	37.1
133.60791	37.1
152.99619	52.3
209.81795	40.7
275.65500	46.0
293.17651	75.0
377.64594	41.5
393.33185	46.2
526.25189	100.0
526.32446	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.7
61.98830	4.8
71.01380	5.2
71.45800	0.4
73.02940	2.4
73.50912	0.4
80.91649	1.9
83.01387	0.8
85.02917	2.1
88.98779	0.8
89.02439	5.3
95.74995	0.4
96.95983	1.7
99.00849	2.3
101.02438	4.5
113.02435	2.5
119.03485	0.8
123.04482	0.9
124.97493	0.4
125.02429	0.9
131.03502	0.8
133.04938	0.5
149.04546	3.8
151.00348	1.2
161.02409	3.0
161.04530	1.3
191.05646	0.9
203.03488	1.4
221.95836	0.5
227.03517	5.0
233.15398	1.3
243.02995	0.7
250.69373	0.5
271.02487	11.1
272.02872	0.5
285.03983	0.9
299.01962	45.5
300.02652	4.6
313.03644	2.5
314.04294	66.3
315.05042	3.8
326.67349	0.5
329.06631	100.0
330.06961	2.6
357.51086	0.5
365.19543	0.7
395.20673	1.2
444.57803	0.5
491.11951	19.5
492.12326	0.6
527.25043	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	527.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.78453	1.7
60.97952	1.8
61.60658	1.6
61.98830	7.8
62.68922	1.7
63.72738	1.7
69.43388	6.2
71.01374	24.4
72.51907	1.7
73.02944	66.5
73.03355	3.5
83.01378	14.5
85.02962	6.8
89.02425	14.4
97.02975	2.4
98.76269	1.6
101.02438	39.0
109.02959	7.8
113.02445	11.2
119.03476	3.9
123.57791	2.1
127.46407	1.9
131.03499	2.2
133.06581	13.2
135.93439	1.7
137.06085	4.4
139.07697	11.7
149.06079	2.8
161.04530	9.0
192.00658	5.4
193.01276	6.5
194.01833	3.9
200.14626	1.9
204.11536	2.1
205.12405	3.6
217.12318	4.5
235.13359	3.4
257.41354	1.9
313.12872	7.9
331.13818	7.7
372.14221	19.6
373.14975	4.3
439.19806	3.0
464.09073	18.8
483.18753	68.2
491.36224	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	527.2134
Annotation	Dutasteride
Peak:m/z	Relative Intensity
57.03444	1.5
59.01379	23.8
61.98822	2.1
62.48515	1.1
70.80405	1.4
71.01375	4.6
71.05031	1.0
73.02945	7.6
75.00877	1.1
78.95889	2.5
83.01383	6.9
85.02945	2.4
87.04483	2.6
89.02399	1.1
95.01358	1.7
95.05007	1.0
96.95968	1.9
97.02932	1.0
101.02441	3.6
109.02883	1.0
111.00867	3.1
113.02435	1.5
113.05993	1.0
121.02964	1.5
122.03731	0.9
123.00885	27.1
123.04498	1.6
124.01660	82.0
124.20744	0.9
125.02457	11.8
137.02437	0.9
137.06055	2.6
137.09560	1.0
137.99568	1.2
138.03223	7.4
139.00388	10.3
139.04007	61.3
139.07631	1.0
139.11285	12.6
149.02441	2.0
152.99570	2.7
161.02380	1.1
161.04555	1.0
165.09166	1.4
166.02690	1.1
169.01375	1.8
169.12372	1.5
179.10718	1.6
181.05080	1.5
181.12346	5.9
183.10263	24.4
197.11911	1.4
199.13399	1.3
207.02905	1.1
207.10101	0.9
211.13379	4.0
220.50768	0.9
225.11307	10.0
239.33717	0.9
243.12328	7.2
249.11278	1.3
267.12256	2.5
291.12289	1.8
309.13110	1.0
327.14377	2.0
387.16815	1.7
429.17529	7.0
430.18106	1.5
494.29913	0.9
509.20288	8.1
527.21240	100.0
528.21362	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10402	0.8
57.03442	2.4
59.01377	25.3
61.98813	1.3
62.16300	0.8
69.03438	0.9
69.38584	3.0
71.01390	4.8
73.02952	7.2
78.15600	0.8
78.95901	2.7
82.95409	3.9
83.01384	4.9
85.02951	2.2
87.04527	2.2
95.01376	1.1
96.96006	1.4
97.02956	1.5
98.21877	1.9
99.00898	1.0
99.04517	1.2
101.02427	2.4
107.61906	0.9
109.06554	1.0
111.77248	0.8
113.02473	1.7
117.36871	0.8
121.02942	0.9
123.00899	11.6
123.04499	1.4
124.01656	82.2
125.02452	12.6
137.02449	1.5
137.09642	1.1
138.03220	3.6
139.04005	50.7
139.11282	16.4
152.99579	4.6
161.02435	1.7
163.11307	1.6
165.09181	1.0
169.12277	1.5
181.12357	5.2
183.10248	31.4
199.13368	1.0
207.10152	0.8
211.06084	1.2
211.13304	4.7
217.12375	1.0
219.03049	0.9
223.03188	0.8
225.11320	9.4
241.01378	0.9
243.12331	4.4
249.11226	1.6
267.12363	0.9
271.02463	2.6
291.12497	1.3
299.01950	7.5
307.93536	1.0
314.04285	11.1
315.04776	1.3
327.14551	1.8
329.02890	1.9
329.06595	14.6
387.16873	1.5
442.49097	0.9
445.66473	0.9
453.17679	1.1
491.12027	3.4
509.20212	6.1
511.22580	1.1
527.21283	100.0
528.21814	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	527.2528
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
52.28720	0.8
53.04550	0.9
53.32927	0.8
59.01368	1.9
69.45411	0.9
70.67503	1.6
71.01382	7.1
73.02923	1.4
78.98578	5.7
79.95734	9.1
80.96513	58.7
85.02933	3.1
87.00860	3.3
92.43390	1.0
94.98082	13.2
97.02936	1.4
99.00870	1.2
101.02438	1.8
106.04861	1.0
106.08797	0.8
106.58789	1.0
106.98039	2.3
113.02436	2.0
122.97548	2.4
125.02504	2.2
134.97569	3.9
148.99117	5.5
152.98640	4.8
155.12097	0.9
164.98622	11.6
181.15080	0.8
206.99608	2.1
225.00714	14.2
227.20128	2.4
227.59912	0.9
299.04288	2.4
368.00034	1.0
470.25342	1.0
485.28085	4.4
527.25177	100.0
528.25458	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	527.2643
Annotation	fijianolide D
Peak:m/z	Relative Intensity
50.59919	0.5
75.00847	0.6
94.92493	0.6
104.02651	0.6
109.02947	2.2
115.27484	0.6
117.03427	0.6
123.00853	0.7
124.01598	1.0
125.02448	0.8
130.04146	0.7
133.02943	0.8
137.02412	2.6
143.05023	1.1
145.02908	1.0
147.00887	0.6
148.01651	1.2
151.00346	0.7
151.03897	0.7
159.04489	1.4
161.02429	2.2
162.03169	0.8
169.97833	0.5
171.04494	1.0
173.02426	2.0
173.06000	0.6
174.03221	2.1
176.01097	3.6
177.01939	2.2
187.03998	6.9
188.04764	2.2
189.01938	8.2
190.02695	2.9
191.03458	1.2
191.14479	1.3
198.03177	1.8
199.04018	2.7
200.01128	1.7
200.04855	1.4
201.01921	26.6
201.05579	1.4
202.02701	6.9
211.03984	1.4
212.04883	0.8
213.02019	0.8
213.05594	0.8
214.02699	1.7
215.00044	0.8
215.01529	1.2
215.03493	18.0
216.04309	3.9
217.01422	2.6
229.01443	5.1
229.04964	2.7
230.02130	0.6
230.05836	1.6
235.13300	0.7
239.03429	1.1
243.02954	9.1
253.05011	1.2
257.19016	0.6
261.11359	0.8
263.12836	1.9
271.13507	0.8
293.17578	1.4
299.16614	0.8
300.13943	1.1
300.17310	2.7
301.14532	1.3
301.17999	2.3
302.11630	1.0
303.12476	1.0
311.12772	3.0
311.16330	1.3
312.17255	1.2
313.14444	2.0
313.17813	1.1
314.15237	6.8
315.12366	1.0
316.13062	1.1
321.20657	2.1
327.12329	1.4
327.15732	1.2
328.13095	10.9
328.16830	3.3
329.17566	13.2
339.15994	0.6
340.65652	0.6
342.14835	0.6
349.20059	1.4
356.16196	2.4
357.16989	1.9
379.17728	0.9
391.21146	1.0
407.20709	1.1
408.21506	0.8
409.22336	1.1
411.29031	1.6
426.24240	0.6
427.28479	2.5
437.26877	2.2
439.28815	2.6
455.28006	68.3
456.28159	2.7
483.27490	11.8
523.92908	0.7
527.26422	100.0
528.26550	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01381	15.5
61.31795	0.9
61.98819	1.9
63.41736	1.0
69.59151	3.8
71.01380	22.4
72.99300	6.0
73.02946	1.8
75.00870	16.6
79.95731	1.5
80.96517	15.8
83.01365	1.3
85.02950	26.7
87.00868	8.1
89.02432	5.0
94.98094	3.5
95.01391	5.2
99.00879	10.3
103.00333	2.5
104.88434	1.0
111.00896	1.0
113.02448	33.6
115.00341	1.5
117.01898	2.5
125.02498	2.1
129.01920	1.5
134.97685	1.7
139.93410	0.9
148.99104	1.6
152.98666	1.3
164.98610	2.4
175.02472	4.3
175.78241	1.0
183.69446	1.1
193.03506	1.3
203.77893	0.9
205.07117	2.4
206.99599	1.4
222.29909	1.0
225.00717	4.1
231.05270	1.4
249.06122	7.7
267.07147	8.3
277.21716	51.4
278.22025	1.1
482.97318	1.1
509.27271	3.1
527.28949	100.0
528.28821	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	527.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82219	26.2
59.01363	55.0
61.88734	24.4
96.95995	97.8
98.21873	82.5
118.94599	27.8
162.83925	29.1
247.20575	43.3
255.23221	81.8
259.79791	36.3
262.64276	29.5
321.20657	89.5
349.20023	77.8
391.21295	39.7
407.20599	65.8
409.22287	33.2
452.46033	30.7
495.22223	51.6
504.15250	39.9
527.23608	47.8
527.30219	100.0
553.33160	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.2
71.45444	17.1
71.83468	11.3
74.22835	13.5
78.95884	22.5
82.95435	30.9
90.26291	14.9
96.96008	45.5
160.84201	100.0
428.10599	14.8
492.07660	41.4
527.30054	47.7
537.63214	13.9
541.19196	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	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.9
61.98803	1.1
62.58650	0.7
69.72422	0.8
69.95734	1.1
69.96086	2.5
71.26650	0.7
75.00857	1.4
85.00446	1.3
95.01379	0.9
96.95969	1.4
98.22604	0.8
108.02153	0.7
109.02960	0.9
110.03728	1.1
122.03724	3.6
123.00864	3.5
123.04494	1.2
124.01643	2.7
125.02446	7.5
135.02971	2.5
135.04510	1.6
136.05322	1.9
137.02422	3.4
137.06049	1.7
138.03255	8.4
139.03996	4.4
141.41219	0.8
149.06032	3.0
149.92667	0.9
150.03156	1.4
151.00385	4.3
151.04001	3.1
153.01933	56.9
153.05563	2.4
163.04022	2.4
164.04755	1.6
165.01884	1.1
166.02744	1.0
167.03485	10.6
168.04222	1.2
173.06049	0.9
174.03204	0.9
177.05576	2.1
181.05022	1.4
191.07086	3.3
191.08665	0.8
205.08662	0.9
217.21397	0.8
219.17516	9.3
231.17650	0.9
232.08769	0.9
265.18048	1.2
277.18015	1.3
291.15994	2.7
293.17743	4.0
302.18848	1.4
305.17471	2.2
315.19543	1.3
319.15414	3.5
319.18832	1.2
321.17062	1.7
333.17053	2.8
336.08447	0.9
379.17624	19.1
427.24847	5.1
435.25565	4.2
441.26556	5.3
451.24994	1.4
452.25641	20.5
453.26428	28.7
454.26730	1.6
455.24399	10.0
467.19159	16.1
467.27896	72.3
468.28110	3.2
469.19675	1.9
469.25827	9.8
470.26712	100.0
471.26996	4.3
471.32828	0.9
495.27286	1.3
512.27856	9.5
527.21375	7.6
527.30011	49.1
528.30664	1.6
540.31067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71466	0.9
69.79494	2.8
98.22571	1.3
162.74680	0.8
265.14407	2.1
327.15921	1.1
371.14874	1.7
422.28293	1.1
455.31702	1.3
494.26779	1.6
496.28394	4.0
527.30115	100.0
528.30652	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	527.301
Annotation	Milbemectin
Peak:m/z	Relative Intensity
53.65512	1.4
56.90374	1.6
56.90648	1.6
103.82964	1.4
137.02437	10.4
138.03201	2.9
151.04050	7.1
179.03482	4.5
187.03902	2.0
201.05550	2.3
215.03476	1.8
228.04227	3.2
229.05058	9.3
275.16513	2.0
303.15900	2.0
331.22607	2.9
341.17566	2.0
342.18500	1.8
359.22244	3.1
454.30719	3.8
455.31662	62.1
484.28339	2.5
512.27533	2.3
527.30096	100.0
528.30139	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	527.3012
Annotation	methyl ganoderate D
Peak:m/z	Relative Intensity
58.37490	0.6
69.80482	1.9
78.01086	3.2
80.74904	0.7
84.26633	0.7
86.08787	0.7
96.02146	1.3
104.02627	0.6
117.03330	0.7
123.00896	4.0
124.01624	3.0
131.86676	0.6
149.02429	0.8
152.01120	2.7
159.04449	0.7
173.06084	1.2
187.03996	1.2
187.07648	1.0
189.01959	0.8
191.14409	14.7
199.07648	1.2
201.05566	1.3
214.02544	0.9
215.03520	3.8
215.06979	0.7
219.17580	0.9
225.05478	2.0
229.05066	1.4
237.14909	6.7
242.02208	0.7
257.11789	0.7
259.16934	1.0
261.14972	1.1
263.12869	4.5
263.16473	2.8
265.14389	35.8
265.17972	6.3
266.14917	0.9
285.14902	0.8
287.16620	1.1
291.15927	1.1
293.17535	2.3
299.16376	0.7
325.18030	0.8
327.15930	2.1
328.16855	7.3
329.17474	1.1
338.26859	0.8
341.17426	0.8
342.18228	1.6
353.13953	1.4
355.15488	0.9
356.19971	0.8
369.16727	0.7
371.14844	1.4
372.15814	0.9
397.16354	1.6
399.32727	2.7
411.32657	4.4
416.57239	0.8
422.28259	1.0
427.32324	3.2
437.30429	1.8
438.04974	0.8
440.29193	2.9
455.31686	6.6
466.27069	1.3
467.27713	1.1
471.31094	3.2
496.28293	4.4
499.30496	1.4
509.29153	1.2
527.30066	100.0
528.30475	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	527.3014
Annotation	Milbemectin
Peak:m/z	Relative Intensity
54.37388	0.8
62.35670	0.8
65.98755	0.8
70.70759	0.9
70.71099	1.5
72.88766	0.7
96.55447	0.8
122.55184	0.8
137.02423	0.8
187.03906	0.9
191.07069	1.3
201.05586	4.0
213.05515	1.3
214.35469	1.0
215.03345	2.3
215.06981	1.2
224.55681	0.8
228.04161	3.9
229.05051	12.3
230.05701	2.3
242.05687	0.9
243.02742	1.1
243.06358	0.9
250.15358	1.1
297.71402	0.9
311.72076	0.8
341.17215	3.5
342.18082	2.7
344.28757	0.9
385.16202	2.8
391.82574	0.8
453.29929	1.5
454.30878	6.5
455.31659	100.0
456.31787	4.8
469.29489	1.0
481.29477	1.4
483.31067	3.8
484.32449	0.9
499.48828	0.8
512.31567	4.3
527.29803	61.6
528.30426	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	527.3012
Annotation	Milbemectin
Peak:m/z	Relative Intensity
52.75016	0.7
57.30290	0.5
64.57863	0.6
65.93424	0.5
67.91007	0.7
69.15326	3.8
78.01111	1.8
90.66410	0.6
98.22621	1.0
123.00888	3.0
124.01669	1.7
137.02501	0.7
146.53554	0.6
149.02452	0.8
152.01181	1.5
166.59996	0.7
177.01805	0.8
187.03989	1.3
187.70776	0.6
188.04858	0.7
189.01917	1.4
191.03560	0.7
191.14366	7.7
199.07719	1.1
201.05708	1.0
203.03607	1.0
214.02811	0.7
215.03502	3.6
225.05565	1.1
229.04947	1.0
237.14964	3.3
243.03017	0.9
255.02838	0.8
263.12851	2.4
263.16553	1.5
265.14447	16.5
271.02814	0.6
271.17020	1.4
291.15991	1.1
299.16501	1.2
303.16275	0.9
313.14435	1.2
315.15952	1.3
327.15753	1.0
328.16733	3.2
341.17538	1.0
353.13730	1.8
369.16965	1.0
371.15002	1.2
383.15210	0.7
385.16620	1.2
397.16452	2.1
399.32523	1.0
411.32669	1.4
422.28290	1.2
427.32285	1.4
439.28284	0.8
440.29456	0.9
455.31805	2.9
466.27295	1.2
467.27997	1.3
471.31271	1.9
472.32242	0.9
494.26657	1.2
496.28159	4.3
509.29285	0.9
527.30127	100.0
528.30554	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	527.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42808	1.0
90.33979	1.0
122.03728	4.3
123.00877	2.4
123.04523	2.4
124.01727	1.3
135.00128	0.9
137.02432	3.4
138.03242	11.3
145.02129	1.0
148.09148	1.0
151.04016	7.0
152.04813	1.1
164.04723	2.4
165.01904	1.9
165.05565	4.3
175.04008	1.5
191.07101	2.3
201.01997	1.4
201.05533	3.3
201.86873	1.2
213.05376	1.1
215.03429	3.0
228.04247	3.8
229.04979	9.9
242.05724	1.1
243.02977	2.0
243.06557	2.4
317.21140	1.6
341.17493	1.9
342.18320	1.6
358.14273	1.2
358.64688	1.2
453.30139	1.9
454.30829	6.9
455.31711	100.0
456.31964	4.5
479.27863	6.0
480.28610	2.4
481.29257	2.1
483.26791	1.9
497.29282	18.0
512.31390	27.9
513.31750	1.3
527.30634	59.5
527.32715	60.3
528.30560	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	527.301
Annotation	Milbemectin
Peak:m/z	Relative Intensity
52.18351	2.9
56.12197	2.4
63.13741	2.5
69.43039	5.0
69.43430	6.7
76.99983	2.5
79.86543	2.9
89.02475	2.4
98.21877	5.1
106.89791	2.5
123.00842	10.6
178.99925	2.5
187.03865	3.0
189.01929	4.6
199.04144	2.8
214.02791	3.0
228.04234	3.0
265.14368	7.1
299.16565	3.6
327.15903	4.2
337.14362	3.2
353.13965	3.8
355.15347	3.9
385.16357	5.0
397.16321	9.5
422.28220	4.5
427.40482	2.7
495.27292	4.4
496.28232	14.7
497.28159	3.6
499.30377	3.7
527.30035	100.0
527.41040	5.5
528.31134	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	527.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38607	1.1
57.06745	1.2
59.28752	1.0
61.72049	1.0
69.48141	4.2
69.48505	1.8
75.16392	1.1
76.73532	1.0
98.42933	1.1
116.95390	1.1
123.00899	1.3
123.76497	1.1
175.04262	1.3
201.05542	3.3
213.05579	1.4
214.02791	1.2
215.03505	3.6
215.07071	1.5
216.57826	1.1
219.13872	1.7
221.15465	3.2
228.04265	4.7
229.01453	4.3
229.05042	12.1
230.02266	2.2
230.05704	1.2
242.02129	2.0
243.02940	4.2
247.13467	5.4
249.14888	3.3
250.15746	4.0
255.02982	1.6
257.01016	3.8
278.14661	1.1
328.16599	1.7
340.16745	4.1
341.17502	4.3
342.14862	7.9
342.18350	2.0
367.15512	3.1
368.15930	1.3
370.14246	2.5
385.16489	23.2
425.30521	4.3
441.29932	1.2
448.80405	1.3
453.29971	6.9
454.30658	7.5
455.31662	100.0
456.31912	6.0
469.29584	8.8
481.29340	9.1
483.30783	4.8
484.31912	8.7
495.31256	2.4
497.29089	3.2
512.31317	26.5
513.31470	1.5
527.33215	66.0
528.31226	1.8
528.32684	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	527.3373
Annotation	Globostellatic acid H
Peak:m/z	Relative Intensity
69.60162	3.9
69.60571	3.2
71.17544	1.3
71.24952	1.4
79.53860	1.5
98.22707	1.3
103.85702	1.3
122.03746	6.9
123.00885	4.0
123.04520	6.1
124.01657	1.8
125.02479	2.4
136.05299	2.8
137.02467	5.9
138.03229	29.6
148.05293	1.8
150.03185	1.7
151.03986	14.2
152.04764	1.7
164.04832	3.9
165.01857	3.1
165.05553	7.2
176.06291	1.5
177.05569	2.1
178.06334	1.6
187.04124	1.9
191.07208	2.3
194.81473	1.3
201.05577	4.1
215.03503	5.5
221.11870	2.3
228.04315	4.1
229.01512	2.3
229.05058	13.3
243.02965	3.3
243.06674	1.8
265.14273	1.6
275.16534	1.8
277.93616	1.4
289.18011	2.2
313.24475	1.4
317.21423	1.7
341.17609	4.3
342.18396	3.8
345.24448	1.6
413.26788	1.7
451.28357	3.4
454.30826	3.9
455.31705	88.8
456.32025	3.8
463.28583	1.5
479.28070	9.3
480.28793	3.2
481.29797	3.4
483.31927	2.2
495.31482	1.8
497.29376	33.9
498.29291	2.3
512.31421	39.4
513.31256	2.6
527.33362	100.0
528.33710	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77306	3.2
55.43767	3.4
55.70537	3.3
56.04220	3.5
59.01373	88.2
61.98818	6.9
69.03448	7.6
69.13257	20.1
69.85873	2.8
71.01379	83.7
73.02949	11.3
81.03439	5.4
83.01379	5.8
84.44906	3.4
85.02952	12.0
89.02439	100.0
97.02957	12.5
98.22617	6.6
101.02468	19.6
113.02411	11.7
123.35194	3.4
125.02433	42.1
131.03500	25.5
139.03938	3.5
143.03474	5.4
149.04544	59.0
161.04552	3.6
176.08386	17.1
191.05629	13.8
191.10760	43.2
202.15494	3.8
233.06773	10.5
261.59299	3.4
293.08777	87.0
331.38824	3.5
517.21783	4.7
528.25458	8.1
529.25909	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	528.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28835	1.5
56.72152	1.5
60.85357	1.6
61.98830	100.0
64.91393	1.7
71.43266	1.5
71.43771	1.5
109.02922	1.6
151.03973	1.8
162.83846	4.3
173.92072	1.6
197.61646	1.4
263.90677	2.0
315.49826	1.7
379.23068	1.8
423.21661	5.8
465.22754	45.3
466.23309	2.5
539.00854	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	528.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33303	0.2
61.98827	100.0
69.55493	0.8
92.58826	0.2
128.21469	0.2
246.62370	0.2
465.30411	0.3
467.28250	0.3
511.30551	0.2
528.21136	0.3
553.24872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00785	0.2
59.01367	0.5
60.99283	0.4
69.36247	1.1
73.02966	0.2
78.95888	0.5
79.95744	2.3
88.98810	2.2
96.96008	100.0
125.02435	0.3
129.03523	0.2
227.03468	0.6
229.05022	0.3
255.02869	1.2
284.03186	1.7
285.04044	2.1
383.00775	2.0
431.09766	2.5
475.21762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46889	0.9
59.01376	8.1
61.98827	58.8
62.98515	1.4
63.99249	7.7
66.76566	1.3
69.03457	1.9
69.41979	4.8
71.01378	2.9
73.02939	1.2
75.00883	1.2
89.02435	2.0
95.01395	1.3
96.96030	3.5
98.21773	1.2
101.02462	1.3
109.02979	1.6
113.02396	1.7
117.03427	1.3
118.24255	1.4
121.02966	1.5
123.00896	6.4
124.00806	0.7
124.01662	20.1
125.02480	6.9
133.02951	1.4
134.03729	1.4
137.02481	1.8
138.03229	1.5
139.04013	9.3
145.02966	1.9
146.03726	1.8
146.28902	1.0
148.01654	1.3
149.02435	1.8
152.01125	2.0
153.01959	2.1
161.02469	15.1
162.03217	12.2
164.01205	6.7
165.01888	1.5
166.99864	4.1
167.03505	1.4
168.00653	25.5
169.01413	1.4
173.02461	2.3
175.04002	1.5
177.01915	3.7
178.99863	2.6
179.03561	1.1
182.02240	2.9
183.02991	31.9
189.01923	4.9
190.02725	28.0
192.00647	100.0
193.01424	15.2
194.02159	2.1
205.01410	11.2
205.05054	3.8
206.02168	14.6
207.02977	83.7
208.03165	1.6
210.01688	2.1
217.01479	1.6
220.03752	2.0
221.00903	1.4
222.01811	1.6
225.04045	5.4
229.58290	1.1
233.01007	2.4
234.01680	74.2
235.02310	2.7
237.11385	1.4
245.00966	1.9
246.01720	4.8
248.03238	1.1
249.01439	2.0
249.04027	39.5
255.05072	2.5
264.02863	1.2
276.02597	1.3
287.01871	1.2
294.03787	8.1
307.15622	1.8
309.06158	84.6
310.06610	2.4
315.01477	1.4
466.10049	1.6
478.07068	1.9
493.09830	98.2
494.10284	2.5
529.19434	6.1
529.26947	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01379	3.1
62.55049	0.5
65.00312	1.7
65.09347	0.6
71.01373	1.7
80.03838	0.6
80.91685	6.8
83.01385	1.3
85.02951	0.6
87.00875	0.7
89.02436	1.3
101.02415	1.1
103.00341	0.8
107.01394	2.8
107.05001	0.6
108.02166	0.8
109.02930	2.1
121.02953	2.8
125.02431	1.7
137.02440	0.9
148.01579	0.9
149.04486	0.6
151.00362	12.7
153.01968	0.8
163.00337	2.6
169.01410	1.1
178.99896	7.0
189.00488	1.1
190.99884	0.6
192.00607	1.6
193.01375	1.0
211.04015	1.3
226.02693	1.1
227.03517	2.5
243.02991	4.5
245.04524	3.0
254.02185	1.5
255.02997	17.0
256.19757	0.7
271.02481	35.8
272.02917	1.6
273.04028	1.3
283.02432	1.8
299.02045	0.8
300.02747	75.0
301.03510	50.1
302.03735	1.7
311.00473	2.2
316.02289	0.7
323.01382	0.7
341.01331	5.6
353.01471	1.3
382.02011	1.1
383.02585	14.6
384.02863	1.2
447.09308	100.0
448.09665	4.3
493.09497	1.1
506.46152	0.8
529.08246	2.1
529.19623	1.3
529.26575	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	529.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68637	0.5
55.01869	0.6
57.03436	1.9
59.01380	8.6
60.99303	15.2
61.98827	2.0
71.01384	2.8
73.02934	3.8
79.95730	0.6
82.58222	0.4
83.01385	1.1
85.02937	1.0
88.98804	100.0
89.02443	1.6
90.31036	0.4
94.98032	0.5
95.04956	0.5
96.96007	49.9
99.00877	0.7
99.04513	2.4
101.02424	2.6
113.02447	1.2
121.02962	0.7
123.00845	0.7
123.08144	1.5
125.02455	6.9
137.06116	0.5
161.02451	2.2
161.05956	0.5
169.01503	0.6
181.08720	0.8
192.00598	0.5
193.15993	0.6
201.12703	0.5
219.13901	1.8
223.09799	0.5
237.14944	4.7
241.10808	1.5
255.02853	0.9
281.13919	7.7
285.04199	0.6
287.05579	1.0
301.03162	0.6
376.95218	0.8
431.09912	0.9
447.09247	1.2
485.20111	0.7
529.18835	0.8
529.26331	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	529.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.5
59.01356	0.6
67.01887	9.5
71.01369	0.5
78.95879	0.6
81.03475	1.1
81.48336	0.4
88.26419	0.4
88.98818	0.6
89.02453	0.7
99.04516	5.3
108.02139	0.5
110.89912	1.0
111.00877	100.0
112.01207	0.5
112.89607	0.5
113.02390	0.6
115.04019	0.7
116.62345	0.4
131.08272	2.4
133.01427	0.8
143.03494	55.4
154.99875	1.2
171.51414	0.5
186.07686	0.7
187.02371	2.9
187.06126	0.6
187.12152	0.6
239.43489	0.4
269.58591	0.5
341.10797	1.2
398.74011	0.5
500.51779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82457	0.9
57.84058	0.8
79.23650	0.9
83.05036	1.0
98.22745	2.2
111.08154	11.6
125.02436	1.3
139.07654	9.1
155.07133	5.7
157.08727	7.5
183.06572	1.4
201.07675	100.0
202.07982	1.4
226.24071	0.9
276.43961	0.9
292.02399	1.1
317.32028	1.0
351.31091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.7
59.01091	0.3
59.01380	7.4
61.98829	1.3
68.03869	0.3
69.03449	0.4
69.35368	0.6
69.35769	1.0
71.01393	1.7
73.02939	0.6
76.71984	0.3
80.91640	0.3
81.03470	1.4
83.01387	3.2
85.02959	0.7
88.98810	0.5
89.02431	0.9
93.03461	0.6
95.01406	0.3
95.05030	2.2
96.96018	1.1
99.00849	0.5
101.02448	0.8
105.03462	4.8
109.02966	1.1
113.02446	0.5
119.04947	0.3
119.08673	0.4
121.02977	1.1
123.00881	0.5
124.01657	0.6
125.02451	100.0
126.02795	0.8
131.03456	0.3
133.02945	1.1
135.08208	0.3
137.02446	8.1
137.09680	0.5
139.04048	1.4
145.06630	0.5
147.04500	0.3
149.02438	1.6
149.04532	0.4
149.06177	0.3
151.04050	0.4
161.02448	44.5
162.03123	0.6
164.01137	0.4
165.01935	1.8
167.03494	3.4
173.06091	0.4
175.04018	0.9
177.02002	0.3
177.05594	3.8
179.03529	0.9
179.10838	0.3
181.08707	1.2
183.04448	0.7
185.02455	0.4
191.07149	0.3
197.06078	0.7
197.11842	6.9
199.03986	0.7
201.01935	0.8
201.05542	2.1
203.03456	0.6
213.05594	0.4
215.07208	0.3
219.06587	1.2
221.04518	0.4
225.05608	1.4
227.03523	1.4
229.01428	2.0
241.05161	0.5
241.10823	17.1
243.06598	1.0
245.04424	0.5
261.07907	0.3
269.04547	12.3
287.05612	14.1
288.05890	0.4
289.07434	0.3
305.06693	7.2
391.13998	2.8
397.22400	0.4
470.04144	0.3
529.17145	4.7
529.26282	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	529.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67884	0.6
55.01866	0.8
57.03427	2.7
59.01376	20.3
59.69868	0.6
61.98811	2.5
68.99792	1.2
69.03455	8.4
71.01014	0.9
71.01378	15.3
72.99297	4.1
73.02954	4.7
75.00867	7.8
82.70020	0.6
83.01377	1.6
85.02950	12.3
87.00878	4.8
89.02451	5.4
95.01391	3.1
96.95996	1.6
97.02938	0.7
99.00876	7.5
99.04494	2.6
101.02431	5.2
103.00395	0.7
109.02955	0.9
109.77348	0.6
111.00883	0.8
113.02445	26.3
115.00385	1.3
115.04028	0.8
117.01907	1.8
119.03465	1.1
124.01657	1.1
125.01596	0.9
125.02446	6.1
129.01947	1.1
131.03464	2.0
139.03986	0.8
143.03427	0.9
149.04543	1.4
157.01364	1.2
157.80389	0.6
161.02431	2.5
161.04573	3.4
165.09166	1.5
167.03439	1.0
175.02477	1.8
179.05598	2.0
183.02927	0.6
187.52200	0.6
189.12767	0.7
191.14468	1.2
192.00682	0.9
203.05554	0.8
205.08783	0.9
217.12296	2.9
221.06711	3.5
231.05212	0.8
235.13362	2.6
249.06149	10.7
261.11276	2.0
263.07675	2.1
267.07169	11.7
279.12393	1.2
307.15549	1.0
349.11163	2.1
353.16013	0.9
358.68723	0.6
367.17639	0.7
415.16083	0.8
445.17017	0.7
466.09686	2.6
487.17908	1.1
493.22614	2.9
511.18335	3.2
529.19275	100.0
530.19751	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	529.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67884	0.6
55.01866	0.8
57.03427	2.7
59.01376	20.3
59.69868	0.6
61.98811	2.5
68.99792	1.2
69.03455	8.4
71.01014	0.9
71.01378	15.3
72.99297	4.1
73.02954	4.7
75.00867	7.8
82.70020	0.6
83.01377	1.6
85.02950	12.3
87.00878	4.8
89.02451	5.4
95.01391	3.1
96.95996	1.6
97.02938	0.7
99.00876	7.5
99.04494	2.6
101.02431	5.2
103.00395	0.7
109.02955	0.9
109.77348	0.6
111.00883	0.8
113.02445	26.3
115.00385	1.3
115.04028	0.8
117.01907	1.8
119.03465	1.1
124.01657	1.1
125.01596	0.9
125.02446	6.1
129.01947	1.1
131.03464	2.0
139.03986	0.8
143.03427	0.9
149.04543	1.4
157.01364	1.2
157.80389	0.6
161.02431	2.5
161.04573	3.4
165.09166	1.5
167.03439	1.0
175.02477	1.8
179.05598	2.0
183.02927	0.6
187.52200	0.6
189.12767	0.7
191.14468	1.2
192.00682	0.9
203.05554	0.8
205.08783	0.9
217.12296	2.9
221.06711	3.5
231.05212	0.8
235.13362	2.6
249.06149	10.7
261.11276	2.0
263.07675	2.1
267.07169	11.7
279.12393	1.2
307.15549	1.0
349.11163	2.1
353.16013	0.9
358.68723	0.6
367.17639	0.7
415.16083	0.8
445.17017	0.7
466.09686	2.6
487.17908	1.1
493.22614	2.9
511.18335	3.2
529.19275	100.0
530.19751	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	529.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03447	1.4
58.00589	1.3
59.01376	83.5
61.98827	1.4
69.03451	1.7
69.30756	1.9
69.31166	1.1
70.74284	0.7
71.01378	65.3
72.99299	1.3
73.02944	22.5
75.00867	0.9
80.91682	1.5
81.03459	2.0
83.01385	3.6
84.02180	0.9
85.02943	10.2
87.00862	1.9
89.02440	100.0
93.54179	0.6
95.01372	1.9
97.02948	3.4
99.00877	29.5
101.02438	47.5
111.00838	0.6
113.02448	12.1
115.04018	1.7
116.97281	0.7
119.03487	5.9
125.02452	8.1
125.87309	1.1
131.03500	21.3
142.87592	0.5
143.03511	3.6
149.04547	73.1
159.02986	0.9
161.04541	8.1
179.05597	0.9
191.05588	15.6
192.00609	1.1
217.16185	0.8
221.06599	4.1
233.06654	3.5
235.17032	6.0
251.07722	7.1
252.40506	0.6
293.08777	6.8
311.09680	1.9
397.22244	11.0
494.01926	1.5
529.26514	57.9
530.26917	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	529.2647
Annotation	Pharboside E
Peak:m/z	Relative Intensity
55.01876	2.0
57.03454	1.9
58.00584	0.3
58.88624	0.2
59.01378	25.1
61.98822	1.7
69.03451	1.3
69.73540	0.2
71.01378	34.9
71.05044	0.3
71.45110	0.2
72.01688	0.2
72.99311	0.7
73.02943	14.3
73.51897	0.2
75.00873	0.9
81.03455	0.7
81.07093	0.3
82.95419	3.8
83.01389	4.4
83.05051	0.3
85.02947	13.8
86.00086	0.3
87.00854	1.9
89.02442	17.7
90.20724	0.2
95.01388	1.8
96.86469	0.2
97.02947	2.1
99.00875	9.4
99.04478	0.4
101.02440	26.9
111.00870	0.9
113.02448	12.9
115.04039	1.5
119.03511	2.2
125.02444	4.8
125.61853	0.3
129.01938	0.8
131.03508	3.2
135.08154	0.7
141.01958	0.3
143.03531	1.7
149.04538	3.6
150.02390	0.3
159.02963	2.0
161.04559	8.2
163.11256	0.8
191.05617	1.8
205.16051	0.4
233.06664	4.0
235.17030	4.5
277.17871	0.4
293.08820	4.1
320.75729	0.3
397.22281	21.9
398.22580	0.5
529.26489	100.0
530.26874	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	529.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
57.03428	1.0
59.01378	13.5
61.98828	3.0
62.13552	0.5
70.44354	0.5
71.01376	7.3
71.24384	0.5
71.46655	0.5
73.02933	2.5
83.01388	2.5
85.02946	3.6
86.00044	0.6
87.00861	0.9
89.02431	2.4
95.01364	0.8
96.96004	1.4
99.00864	1.4
101.02448	5.7
111.00880	11.0
112.01679	0.7
113.02460	2.0
118.96602	0.5
125.02423	2.1
125.99596	3.4
139.00375	42.5
140.01060	0.6
149.02534	0.5
149.04549	0.7
181.05069	3.1
225.15041	0.9
231.70793	0.4
241.14427	3.3
251.12785	0.8
269.13873	1.4
397.22198	0.7
403.19690	14.4
407.07410	0.7
413.18155	1.6
430.18326	1.4
431.19199	62.6
432.19476	1.5
485.23773	0.9
493.30096	1.1
507.73993	0.6
529.26489	100.0
530.26709	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	529.2804
Annotation	Methyl lucidenate E2
Peak:m/z	Relative Intensity
56.82827	0.5
67.01898	0.8
69.68662	0.8
69.68984	0.8
72.53448	0.5
76.35095	0.5
78.95899	3.8
83.01402	0.5
95.01401	2.4
96.02212	0.8
96.96006	11.8
96.96593	0.9
98.21846	0.5
108.02192	1.0
109.02952	1.9
110.00048	0.8
111.00887	1.4
111.28596	0.5
123.00883	16.0
124.01646	7.3
125.02455	3.2
137.02443	14.5
138.03265	1.1
139.00349	2.2
150.03227	1.0
151.00378	1.5
151.04045	1.8
152.01143	2.5
152.98521	0.5
152.99551	3.2
165.00615	0.4
165.01912	9.9
165.05579	1.4
175.04002	1.2
176.05276	0.6
179.03569	0.6
179.07147	2.0
181.90733	1.3
182.90736	0.8
193.08690	1.2
196.89534	0.8
207.10289	1.2
235.09650	0.8
235.13377	1.1
249.15051	1.1
277.18015	1.0
291.19687	4.7
303.19653	0.6
305.17657	0.6
311.61682	0.6
319.19211	3.9
329.24771	0.7
333.20578	0.7
356.19861	0.6
357.24167	1.4
369.24426	0.9
383.23114	0.7
385.23877	0.8
401.23230	0.6
411.21780	1.7
412.22714	0.6
422.20804	1.4
427.24814	1.0
429.22705	8.7
437.23312	1.1
439.21191	1.2
440.22083	2.5
444.24860	1.9
454.27518	0.7
455.24442	13.2
457.22266	11.2
459.27386	2.1
472.24414	4.2
487.26920	100.0
488.27234	4.1
493.16016	2.6
529.28088	26.1
529.35236	2.7
530.27972	0.7
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	Kukoamine A
Peak:m/z	Relative Intensity
51.02898	0.6
56.79055	0.6
57.03422	2.2
57.82804	0.6
58.19846	0.6
59.01379	16.6
63.80569	0.6
63.96403	0.6
69.03446	0.8
69.39630	2.8
71.01012	1.3
71.01379	19.8
72.99295	5.7
73.02940	2.5
73.80428	0.8
75.00871	17.1
78.95908	0.8
85.02450	1.5
85.02949	21.6
87.00867	6.1
89.02438	7.4
95.01379	4.6
99.00887	9.3
103.00362	2.6
113.02448	28.2
113.03239	1.4
115.00353	2.1
117.01934	2.5
129.01913	1.4
152.90781	0.7
161.22916	0.8
175.02444	3.1
205.07068	1.7
231.04959	0.8
249.06171	5.8
255.23203	4.5
267.07230	6.3
279.23291	63.4
280.23685	1.1
480.30753	3.7
509.32126	0.9
511.29028	2.2
529.30103	100.0
530.30377	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53159	0.7
59.01380	10.6
61.98849	1.7
71.01385	5.2
71.02914	0.6
73.02919	1.6
83.01391	0.8
85.02981	0.7
89.02440	4.8
98.21867	1.7
101.02435	5.7
101.05163	0.7
113.02437	3.5
119.03501	1.1
123.63686	0.6
161.04483	3.1
179.05568	1.8
189.44772	0.8
195.13921	8.5
196.14644	1.3
211.13374	0.9
223.13353	5.0
235.17018	1.1
253.09270	28.7
256.13165	1.6
275.20126	5.7
293.21210	100.0
294.21533	2.6
492.22073	1.3
539.58856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98173	0.7
55.01876	2.1
57.32889	0.7
64.20174	0.7
69.74969	1.7
70.71597	0.7
80.06351	0.9
95.01388	1.8
98.21888	0.9
109.02932	0.9
123.00861	15.9
124.01672	6.2
125.02428	2.3
136.05310	1.6
137.02412	1.6
138.03220	13.2
139.04019	4.7
148.05281	2.5
149.02460	1.9
149.06096	3.7
153.05600	1.8
160.05305	4.8
161.06096	3.5
162.83966	0.8
163.07597	1.0
167.39195	0.8
177.01921	11.7
177.05481	1.0
177.84465	0.8
180.92798	0.8
186.06801	1.3
192.02509	1.4
192.04260	22.6
207.06607	54.8
213.05537	1.9
214.06357	1.7
220.22830	0.8
225.05612	1.7
226.06343	2.7
227.07068	1.4
241.05148	4.1
242.05794	2.8
247.20648	1.1
253.05009	1.2
254.05911	1.7
255.06616	1.3
257.04572	1.3
257.08188	3.3
258.05304	1.4
269.04529	2.3
270.05344	9.3
271.05966	2.5
283.06174	1.3
284.06903	2.9
285.07611	2.1
301.10736	0.8
301.21738	1.6
303.23267	55.6
304.23462	1.5
313.18228	1.3
313.21710	17.4
315.19540	1.6
315.23248	33.6
316.23578	1.0
339.23041	1.3
339.26782	1.2
365.24658	1.0
376.71451	0.8
377.24701	1.1
381.24442	1.5
393.24304	4.0
395.25769	2.1
409.23871	2.8
411.25150	1.6
421.23987	5.3
423.25409	3.0
424.26062	1.2
436.22452	2.7
437.23224	10.0
438.23517	0.9
439.19019	1.6
439.24832	21.6
440.24857	1.0
451.24689	6.7
452.25653	2.0
453.26169	1.2
454.26654	1.1
463.24731	2.2
467.27985	66.7
468.28247	3.6
469.29553	86.6
470.29828	2.9
481.29843	3.6
493.29706	1.0
511.30603	100.0
512.31067	4.8
529.31750	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	529.3169
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
52.99534	0.2
56.41477	0.2
65.03976	0.2
65.13556	0.2
70.02373	0.4
70.02695	0.2
95.01395	1.2
97.12267	0.3
98.22556	0.3
109.02964	0.7
110.00079	0.3
123.00889	13.0
123.04501	0.4
124.01696	0.4
136.01665	0.4
137.02444	2.9
137.06114	0.2
138.03218	0.6
145.15367	0.3
147.04535	0.5
149.02426	0.8
150.03247	0.9
151.00369	0.4
151.04021	0.5
159.04477	0.4
161.02441	1.9
161.06129	0.3
162.03246	1.7
163.04005	0.5
164.04810	0.3
165.01836	0.4
165.05585	0.5
167.14383	1.0
172.05333	0.5
174.03192	1.3
175.04073	1.1
176.01158	0.5
177.01952	1.6
177.05571	0.3
178.02769	1.1
179.03476	0.3
179.07137	1.2
187.03983	0.4
188.04756	0.8
189.01877	0.5
189.05614	0.6
190.02753	0.9
191.03508	0.7
191.14412	0.6
193.08672	0.8
198.03191	0.5
199.04004	0.4
200.04697	0.2
201.01965	0.3
202.02682	0.7
202.06403	0.3
203.03494	0.6
204.04262	0.3
205.01387	0.5
212.04749	0.5
215.03468	0.4
216.04240	0.8
217.05089	0.7
218.02188	0.3
219.02988	0.8
221.15517	0.3
223.13411	0.6
225.05492	0.3
235.13373	0.6
236.14178	0.8
237.14923	1.4
242.02191	0.3
243.02870	0.4
245.15479	0.3
246.01712	2.3
247.16991	0.4
248.14034	0.2
249.14894	1.0
250.15689	0.4
256.03659	0.4
257.00922	0.3
257.04761	0.3
258.01691	0.4
259.17001	0.8
261.14966	2.0
263.12869	0.4
263.16504	3.5
264.17288	0.3
265.14404	0.9
270.01593	0.5
271.02478	0.4
271.17178	0.3
273.14993	0.6
273.18729	0.3
274.01205	0.5
274.15649	0.7
275.16452	1.8
276.17169	0.3
284.03210	1.1
285.04004	0.5
285.18622	0.3
287.13312	0.3
287.16437	1.6
289.03635	0.5
289.14417	1.6
290.15210	5.9
291.16016	7.0
299.16516	0.3
301.14371	0.8
301.18051	2.4
303.16043	1.5
311.16498	3.9
312.17166	0.3
313.17953	0.3
314.15247	0.4
315.15988	4.0
315.19336	0.4
316.16354	0.3
317.13834	0.4
317.17453	0.3
318.14700	2.4
319.15634	1.1
319.18851	0.3
325.18082	0.4
329.17584	5.8
330.17984	0.5
331.15436	2.3
332.16278	0.3
338.65494	0.3
343.19162	0.6
344.19797	0.3
345.17047	1.1
346.17822	0.3
355.15439	1.0
357.16919	0.8
359.14780	0.8
359.18753	0.4
360.15808	0.3
371.14801	0.5
373.16495	3.4
374.16943	0.7
383.14951	4.8
385.16528	0.6
385.23926	0.5
385.30801	0.3
386.17722	0.2
387.14313	0.8
387.18835	1.1
387.28876	0.3
397.02182	0.3
397.16458	1.1
398.17178	0.4
399.17776	0.4
413.30490	0.3
423.28973	1.4
424.29742	0.5
429.22760	0.7
439.32074	0.9
441.29691	0.4
442.30685	0.5
445.29453	0.5
473.28802	0.3
486.29916	0.5
496.28394	3.5
497.29221	2.1
498.29938	1.6
499.30353	0.3
501.28247	0.3
511.30994	0.5
514.28656	0.4
529.31671	100.0
530.32074	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	529.3169
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
61.18259	2.6
69.22336	11.9
69.62360	2.4
76.50558	2.6
80.92005	2.1
118.42345	2.5
123.04446	2.5
137.02452	19.5
138.03227	7.8
151.04022	14.5
160.32689	2.3
175.74747	2.5
177.30684	2.6
179.03458	5.5
207.10413	2.4
240.92479	2.4
268.74207	2.5
273.55917	2.8
277.17987	2.7
283.73187	2.3
333.24155	5.1
347.96515	2.9
361.23770	7.3
403.68658	2.5
486.29617	3.9
496.28262	4.7
529.31659	100.0
530.32239	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	529.3528
Annotation	Rubianol b
Peak:m/z	Relative Intensity
53.14812	6.2
57.75184	5.9
70.23550	6.5
70.23876	12.1
80.28512	5.5
83.86694	5.9
94.03691	7.8
96.22165	6.8
98.22413	10.8
103.49638	6.3
104.20811	6.4
110.34071	7.2
112.15264	6.5
119.78796	6.5
123.04465	7.9
133.24698	6.5
138.03188	17.4
146.89037	6.5
151.04004	8.6
219.28629	6.2
251.17766	7.3
271.56552	5.9
281.87802	7.2
481.29404	12.7
499.30411	33.8
514.33234	47.6
529.16180	7.3
529.35187	100.0
530.34998	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	530.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82084	0.4
56.31219	0.4
59.01372	0.5
61.98829	100.0
69.21925	2.2
71.01391	1.2
71.13885	0.4
80.71115	0.4
82.42458	0.4
82.95421	5.1
83.10281	0.4
84.00909	1.1
84.95132	1.5
88.98794	2.0
92.50661	0.4
96.96005	0.7
98.21821	0.7
101.02470	0.6
108.02168	0.8
109.02936	4.6
111.00897	0.6
123.00886	0.5
123.04545	0.6
124.01655	1.2
125.02419	2.2
139.00383	3.5
139.04068	0.6
140.01158	2.1
152.01176	0.6
153.01935	9.2
154.02713	2.2
155.03528	2.3
167.03528	1.2
169.01508	1.1
169.05099	1.0
183.03024	1.1
186.43593	0.4
207.10422	0.4
213.79021	0.4
222.06636	0.4
297.06125	2.3
311.07721	1.1
403.83267	0.4
467.11926	20.8
468.12411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92198	0.2
59.01377	2.2
61.98828	100.0
69.24420	1.0
71.01374	1.3
73.02956	0.5
82.95418	0.3
85.02960	0.5
87.00848	0.2
89.02425	1.1
95.33638	0.2
99.00921	0.3
101.02459	1.0
113.02470	0.4
125.02442	0.5
128.76505	0.2
147.13487	0.2
149.04579	0.8
160.13826	0.2
161.02505	0.2
192.00598	0.3
244.14003	0.2
262.73837	0.2
290.54294	0.2
330.07278	0.2
398.22668	0.3
515.08148	0.4
529.26910	0.3
530.10077	0.2
530.27142	1.1
531.27826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92711	1.3
55.18773	1.4
59.01376	57.3
61.98822	4.1
62.22669	1.4
67.85535	1.4
69.03448	4.9
70.76288	1.6
70.76644	2.0
71.01382	67.4
72.90427	1.5
72.99290	1.4
73.02953	10.3
81.03445	1.9
83.01395	4.0
85.02953	14.5
87.00870	4.4
89.02445	58.5
97.02962	7.2
99.00896	3.6
101.02447	23.1
113.02440	13.0
119.03546	2.6
122.03732	16.4
125.02448	23.5
131.03490	15.9
143.03497	5.0
149.04559	30.2
159.02921	1.7
161.04564	21.4
178.09981	16.1
191.03922	1.7
191.05608	9.4
193.12325	100.0
230.00282	1.6
233.06616	5.2
246.35237	1.4
293.08783	51.4
294.09250	1.5
313.56119	1.7
355.17599	8.5
487.21835	28.1
503.33536	1.6
530.26398	1.7
531.28168	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	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	3.6
56.49914	4.0
59.01379	72.3
61.98816	4.2
62.55808	3.7
71.01384	75.4
73.02950	12.7
77.67913	3.8
83.01407	5.6
85.02975	11.9
89.02442	76.3
93.43105	5.1
97.02944	8.8
99.00873	11.7
101.02441	27.8
103.30622	4.8
113.02438	10.8
122.03712	7.5
125.02439	39.1
131.03471	7.7
143.03499	3.8
149.04553	16.1
161.04547	9.6
162.11681	4.0
178.10007	5.4
191.05673	7.2
193.12337	19.8
233.06679	32.6
249.78700	3.9
275.10666	4.4
293.08795	100.0
398.22708	5.3
487.22171	6.6
530.26709	24.4
531.27966	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	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62053	0.6
59.01377	28.4
59.98545	0.6
61.98828	100.0
69.45432	2.8
71.01384	1.7
73.02948	1.1
82.99012	0.6
85.02967	1.0
98.21820	0.9
101.02477	1.3
125.47717	0.6
301.85712	0.7
381.22839	2.9
423.23779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79573	1.3
61.98828	100.0
82.56450	1.3
109.02954	1.4
139.41202	1.2
164.83572	1.3
225.91545	1.2
229.68764	1.2
295.22702	2.1
406.06427	1.5
467.24368	13.2
488.64755	1.5
489.33398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.48142	0.7
78.95927	0.5
96.95999	0.5
98.92515	0.2
170.64005	0.2
188.22997	0.2
193.89441	0.2
213.19057	0.2
223.14003	0.2
223.44284	0.2
249.92215	0.6
267.93091	0.4
433.23303	0.3
467.31885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01374	2.2
60.53862	0.2
61.98829	0.3
62.65005	0.2
66.95910	1.9
71.01373	2.2
73.02953	1.2
78.54905	0.2
82.95414	100.0
83.01397	0.6
85.02947	1.2
87.07195	0.2
89.02421	0.6
95.01387	0.2
96.96017	0.4
99.00870	0.6
99.04508	0.5
101.02419	1.6
105.68913	0.2
107.01417	0.3
108.02161	0.9
109.02966	0.5
111.00871	0.3
113.02454	1.1
115.03973	0.2
124.01633	0.5
125.02444	0.9
137.02423	0.6
151.00336	1.0
152.01109	0.6
159.02927	0.2
161.02408	0.2
161.04568	0.7
165.01808	0.2
169.01398	0.2
177.01987	0.3
178.99858	0.5
192.00626	0.2
193.01201	0.3
221.38918	0.2
243.02864	0.4
249.06200	0.2
255.03035	0.8
271.02542	1.7
272.02991	0.3
289.18210	0.3
300.02759	3.9
301.03452	3.3
302.03513	0.8
322.55917	0.3
328.07837	0.3
351.18094	1.4
369.18979	1.5
385.02390	0.8
397.95770	0.2
399.23920	0.8
447.09280	6.4
448.09888	0.7
449.09763	1.7
487.21521	0.3
531.01703	0.2
531.20160	0.4
531.28961	4.8
538.18042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98348	0.4
54.56347	0.5
57.42332	0.5
59.01381	2.9
61.98833	2.3
71.01376	0.8
72.58773	0.4
73.02937	0.8
83.01365	0.5
85.02933	0.6
86.16896	0.5
89.02460	0.9
90.56677	0.5
93.03419	1.1
95.01385	0.6
96.95997	1.9
99.04485	0.6
101.02448	1.0
105.03452	0.7
108.02159	0.7
109.02969	0.6
111.00867	0.6
116.92872	0.6
121.02930	1.7
123.00858	1.1
123.04517	0.6
124.01610	2.1
125.02409	1.3
131.01349	0.4
133.02965	0.8
135.04524	0.5
136.01653	1.6
137.02460	1.7
138.03210	0.8
139.00336	0.5
139.03981	1.2
145.02943	1.0
148.01723	0.6
149.02461	2.1
151.03981	0.8
152.01230	0.9
152.04535	0.5
161.02414	1.5
162.03207	1.4
164.01140	8.7
165.01895	3.3
166.02638	0.9
166.99857	2.0
168.00583	2.2
169.01430	1.1
177.01872	1.2
178.02632	0.5
178.99864	1.4
179.03471	0.7
183.02995	2.6
189.01956	0.7
190.02736	2.5
191.03496	1.4
192.00641	100.0
192.13680	0.5
193.01393	57.0
194.01288	3.7
195.01909	1.9
205.01433	2.0
206.02174	2.2
207.02972	29.2
208.03380	1.5
209.03511	0.8
210.01772	2.2
221.00887	1.2
222.01657	2.0
223.02446	0.5
225.03935	2.3
234.01704	6.3
235.02461	4.3
236.02557	0.6
249.04060	1.6
271.33307	0.5
294.03458	0.4
309.06323	0.6
358.01718	0.4
384.05756	0.5
478.07397	2.2
493.09860	90.7
494.10223	3.8
495.10370	14.8
510.04758	0.5
516.03461	0.8
531.05396	0.5
531.20862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44713	0.5
57.03439	3.5
59.01379	3.9
60.99302	16.0
62.03165	0.5
69.67626	0.5
71.01380	1.8
73.02942	0.6
82.73854	0.5
83.01382	1.4
85.02955	0.9
88.98801	100.0
89.02434	1.4
96.95999	6.0
98.22679	1.3
101.02441	1.3
104.56776	0.5
105.03500	0.7
109.02953	10.3
109.89307	0.6
113.02431	1.0
121.87635	0.7
123.00859	0.7
125.02441	32.4
126.02816	0.6
137.02422	2.4
139.03952	0.7
151.04015	1.2
152.01254	0.7
153.01939	31.5
161.02446	8.4
161.04485	0.9
163.00369	0.8
167.03506	5.0
169.01425	3.8
175.04008	1.1
177.01953	3.5
177.05507	1.0
179.03448	0.8
179.05608	0.9
193.08664	1.8
211.02406	1.0
219.06561	0.7
229.31351	0.7
243.02817	1.1
248.31285	0.7
259.02802	2.3
269.04565	1.7
271.04654	0.9
277.46988	0.6
287.05606	8.1
303.05197	0.9
305.06650	2.7
309.17191	1.1
337.93726	0.6
358.39063	0.6
369.15430	1.1
369.22708	1.1
441.07983	3.4
530.98187	0.9
531.25201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.6
59.01371	2.8
60.99306	18.3
69.03436	0.9
69.44177	3.6
71.01371	2.6
71.08954	0.8
78.91890	10.5
81.03447	1.5
83.01389	1.8
88.98803	100.0
95.01357	1.7
95.05039	1.1
96.96004	6.2
97.01408	0.9
97.02953	2.3
99.04509	1.2
101.02439	1.6
107.01407	1.5
108.02163	4.9
108.55480	1.0
109.02981	7.4
113.02438	1.1
116.92858	4.2
121.02999	1.0
123.00945	1.8
123.04514	3.9
124.01657	3.1
125.02444	55.9
126.02760	1.5
137.02461	7.3
139.00377	1.2
139.03998	1.2
139.95952	0.9
140.01202	1.1
145.02950	2.1
149.02467	2.2
151.04008	3.8
152.01126	6.3
153.01830	2.8
161.05975	1.5
163.04071	1.2
164.01141	1.3
165.01915	1.7
166.02747	1.1
167.03476	4.3
168.00630	2.2
169.01418	92.0
177.01944	2.2
179.03467	1.2
183.02957	1.3
185.06044	1.0
193.01408	3.2
203.07114	4.0
205.05025	2.3
207.10223	1.3
245.08231	6.1
259.06271	1.0
271.06223	5.6
285.04001	1.1
289.07178	34.7
290.07483	1.1
303.05048	2.4
423.07458	1.2
425.15762	1.0
441.08273	35.9
442.08612	1.6
493.22888	2.3
495.11765	1.5
530.98206	1.2
531.15961	6.6
531.27692	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	531.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85785	0.4
57.03444	3.7
59.01373	3.3
60.76783	0.5
60.99305	15.9
61.98832	0.6
67.31205	0.5
69.10082	3.5
70.68439	0.5
71.01371	1.8
71.82794	0.5
72.62109	0.5
83.01389	1.0
85.02946	1.0
87.00912	0.6
88.98805	100.0
89.02444	2.0
95.88033	0.6
96.96017	5.4
97.02942	0.6
98.22591	1.4
101.02438	2.0
105.03458	0.7
108.02164	0.5
109.02946	10.6
111.04473	0.5
111.33816	0.5
113.02441	1.5
121.03014	0.6
123.04502	0.7
124.01654	0.9
125.02447	25.8
137.02437	2.2
139.04019	1.0
151.03976	0.9
153.01938	33.5
154.02234	0.7
161.02454	7.4
161.04539	0.5
165.01933	1.0
167.03490	3.0
169.01430	2.7
177.01917	3.2
177.05580	1.2
179.03432	0.8
179.05734	0.7
193.08736	1.9
200.04707	0.5
207.10243	0.7
211.02408	0.8
215.17590	0.5
221.06633	0.6
241.03654	0.9
243.03038	0.6
243.06625	0.8
259.02722	1.9
269.04477	1.4
271.04565	1.2
278.60870	0.6
285.04404	0.5
287.05637	6.4
305.06625	2.7
307.18875	0.6
309.17111	1.3
331.60995	0.6
369.15405	1.7
369.22980	1.7
441.08286	3.7
530.97552	1.0
531.20044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96370	2.1
70.46573	3.0
70.46913	5.4
74.75963	2.5
96.96045	3.0
98.21940	2.7
101.05611	2.3
111.39948	2.4
125.02438	13.9
135.14648	2.5
138.03229	2.4
139.03909	2.3
149.99683	2.5
166.02711	5.2
168.00665	4.8
169.01399	5.0
175.19370	2.3
177.01956	5.1
178.02696	2.6
190.02753	8.2
192.00633	69.5
193.01443	20.6
194.02209	16.2
203.08121	3.4
205.01395	5.2
206.02199	4.7
207.02969	36.3
221.00914	2.6
222.01692	5.3
234.01677	27.5
237.04001	3.5
249.04008	10.2
312.04993	19.5
327.07193	100.0
328.07712	2.8
433.09799	4.7
531.11890	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	531.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.5
69.28928	3.4
71.01382	2.6
72.99327	1.2
73.02944	1.1
82.95415	10.9
85.02949	2.4
89.02469	1.1
93.03443	0.7
94.14466	0.6
96.96003	1.5
99.00884	1.1
101.02428	1.7
101.06080	16.0
102.41750	0.6
106.02619	0.6
108.02172	50.8
108.71821	0.6
109.02966	12.0
111.00832	0.7
113.02446	1.7
116.92855	0.9
123.04527	0.9
125.02427	2.0
126.14283	0.6
135.04509	0.8
143.29434	0.6
151.03983	0.9
152.01151	100.0
153.01932	4.3
161.02341	0.7
161.04514	0.8
163.04027	3.5
164.01176	0.7
177.01920	0.9
179.03464	1.0
183.02898	0.6
191.03435	0.7
192.00630	14.2
193.01410	7.1
194.01944	0.6
207.02982	4.9
220.62636	0.5
235.02409	1.0
315.07220	0.6
316.02322	1.7
331.04337	0.8
420.22128	0.8
429.10358	10.5
447.11249	2.3
493.09927	11.6
495.10251	1.6
531.17139	88.6
532.17194	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	531.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73205	0.5
52.30586	0.5
53.07903	0.5
57.03442	0.8
58.53633	0.5
59.01376	6.9
60.78106	0.6
61.98828	6.0
66.95907	1.0
69.03340	0.5
70.20933	1.4
71.01382	6.8
73.02925	2.8
75.00880	0.6
78.18594	0.6
79.96954	0.5
80.91667	0.7
81.03400	0.5
82.95415	41.9
83.01398	1.1
85.02948	3.2
87.00860	1.1
89.02445	3.7
99.00871	1.6
101.02448	3.4
103.06292	0.7
113.02425	2.6
115.04015	0.6
116.92858	0.9
117.03472	0.9
125.02441	3.0
139.00380	0.8
143.03462	0.5
143.05019	2.2
146.08238	1.7
152.17116	0.5
159.02933	0.7
161.04520	2.0
163.07590	0.8
167.03616	0.5
167.05011	7.6
169.06606	1.6
180.05777	3.0
181.06618	3.6
183.04552	2.7
185.06023	1.5
192.00739	1.0
197.06104	3.7
206.05815	3.4
207.02777	0.6
208.05287	4.4
209.06065	15.3
209.07959	1.0
211.03989	2.3
221.08176	4.5
223.06075	2.2
225.05583	8.2
227.07159	3.6
237.11151	0.7
238.08331	1.3
239.05663	0.9
252.04161	0.9
253.05049	100.0
254.05417	2.4
265.14597	0.7
267.04950	2.9
271.06085	6.8
277.12317	1.2
281.13806	1.2
282.07501	2.5
297.09769	6.6
312.12067	4.8
327.14453	18.7
330.07846	0.8
345.00937	0.5
399.23865	2.0
401.11725	1.0
415.23730	0.8
530.26813	0.8
531.19324	3.1
531.27960	11.7
532.28522	0.8
546.92584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03447	0.4
59.01382	3.8
61.98825	2.1
63.49643	0.2
66.95914	1.8
70.14092	0.5
71.01007	0.3
71.01381	3.7
73.02945	1.9
80.91671	0.7
82.95413	100.0
83.01422	0.4
83.02512	0.6
84.00876	0.3
85.02943	2.0
87.00884	0.5
89.02433	1.9
95.01401	0.2
99.00871	0.9
101.02431	3.0
102.02770	0.3
109.02962	0.4
113.02436	1.6
119.03532	0.4
123.04506	0.3
125.02431	2.4
131.03474	0.3
137.02443	0.5
149.04550	0.5
159.02988	0.4
161.02483	0.4
161.04518	1.8
165.01907	0.4
165.05560	0.3
175.61813	0.2
190.02798	0.3
205.05133	0.3
223.06187	0.3
235.06224	0.7
250.42828	0.2
267.07230	0.3
289.07184	1.8
293.17596	0.3
300.63757	0.3
315.37469	0.2
321.25446	0.2
327.14435	0.3
333.20404	0.2
344.16464	0.2
399.18494	0.4
399.23807	3.3
424.15576	0.2
531.21661	0.6
531.28296	8.0
532.28711	0.4
554.07587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
66.95914	1.9
71.01382	4.2
73.02948	1.4
73.90431	0.2
74.63467	0.3
77.78762	0.3
80.91676	0.9
82.95417	100.0
83.01398	0.6
83.02515	1.4
84.00903	0.6
85.02956	1.6
87.00874	0.3
89.02433	2.0
90.02735	0.3
94.46406	0.2
95.01379	0.4
99.00888	0.9
101.02451	3.2
113.02457	1.6
125.02467	0.5
131.03528	0.8
136.22379	0.3
143.00194	0.4
143.05049	1.3
146.08180	0.3
149.04541	0.6
157.01721	0.3
161.04581	1.4
167.05005	2.7
169.06569	0.5
180.05815	1.5
181.06590	1.3
183.04533	1.0
185.05954	0.6
197.06119	0.5
208.05266	1.7
209.06088	5.2
211.04021	0.9
224.04808	0.4
225.05534	2.5
227.07149	1.3
233.06789	0.3
253.05051	34.2
254.05414	0.7
271.06058	2.0
277.12274	0.5
399.17328	1.4
399.23749	2.0
531.14594	0.5
531.20966	2.5
531.28253	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	531.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03445	15.0
59.01376	17.4
60.99279	0.4
61.98828	4.6
64.24196	0.4
68.99565	0.9
69.12634	2.9
71.01374	7.0
72.01751	0.5
73.02945	3.4
81.03465	1.0
82.95409	3.0
83.01386	4.4
85.02956	3.7
87.00839	0.6
89.02438	3.5
93.03471	0.9
95.01357	0.8
95.05031	1.9
96.96004	0.8
97.02934	0.6
99.00876	1.3
101.02431	4.1
105.03456	5.3
109.02923	1.0
112.98569	1.2
113.02446	3.0
116.92846	0.7
119.03515	1.4
121.02942	1.8
121.36326	0.5
122.77589	0.4
124.01696	0.5
125.02441	100.0
126.02754	0.6
131.03470	1.1
133.02930	1.1
137.02420	6.4
139.04044	0.5
139.11273	7.5
141.25706	0.4
149.02444	4.5
149.04532	1.1
161.02437	43.1
161.04373	3.4
162.03149	0.6
163.07590	0.7
165.01924	0.9
167.03516	1.6
175.04001	0.9
177.01863	0.7
177.05536	3.6
179.03500	0.6
181.12315	5.4
183.04497	0.9
183.10263	12.3
197.06038	0.9
199.03885	0.6
199.13397	3.6
201.01830	0.6
201.05540	2.2
213.05595	0.7
217.00212	2.9
219.06609	1.2
219.17654	0.4
225.05534	1.8
225.11369	3.1
227.03412	2.2
229.01370	2.2
237.18568	0.7
241.04984	0.4
243.06851	1.7
243.12344	90.9
244.12679	1.6
245.04402	0.7
245.31741	0.4
269.04526	16.8
270.04868	0.5
279.31793	0.4
287.02524	0.7
287.05603	15.2
293.08636	0.6
294.08871	0.5
305.06650	2.1
393.15430	3.3
399.23740	4.7
429.14224	0.8
445.12378	1.3
452.82257	0.5
530.26978	1.8
531.18866	6.1
531.27435	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	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98418	0.5
57.03448	3.7
59.01072	0.9
59.01377	16.1
61.98827	1.2
67.01883	0.6
68.35118	0.6
68.99780	0.8
69.03452	1.4
69.41157	2.9
71.01381	13.5
72.99304	3.7
73.02952	3.9
75.00871	10.1
81.03448	0.8
83.01373	1.6
83.05004	0.6
85.02947	13.8
87.00870	4.2
88.98814	1.1
89.02441	6.2
93.03453	0.7
95.01378	3.5
95.04990	1.1
96.96016	7.5
97.02911	0.7
97.06580	0.5
99.00872	6.3
101.02421	3.0
103.00376	1.2
108.02168	0.8
109.02947	17.6
111.00872	1.2
111.08158	5.6
113.02451	14.0
113.06103	0.9
115.00375	1.6
116.92877	1.3
117.01913	1.7
119.03466	1.2
120.12946	0.6
121.02966	0.7
123.00887	0.7
123.04532	1.0
123.08153	2.5
124.01646	1.6
125.02443	6.5
125.06082	4.5
129.01926	1.8
131.03510	0.9
136.98944	0.6
137.02444	1.8
139.00432	0.6
139.03978	0.9
143.03535	0.6
149.06114	1.0
151.03917	1.0
152.01131	0.7
153.01939	27.8
153.05507	0.6
157.01309	0.9
159.92152	0.5
161.02422	2.0
161.04546	1.2
167.03482	1.8
167.07140	1.2
168.00655	1.6
169.01413	1.8
175.02525	0.8
175.07661	0.7
177.01913	1.6
179.05547	0.9
180.15590	0.5
183.02942	2.2
190.02663	0.6
192.00638	5.5
193.01347	1.2
195.02960	2.2
197.04570	0.6
200.97243	0.6
205.01515	0.6
207.03026	3.3
207.04691	0.7
207.10277	1.1
219.13857	1.1
221.06641	0.9
225.04021	3.0
231.05090	1.2
234.01659	3.0
237.14922	9.2
249.06201	12.1
255.05057	4.0
261.03851	0.6
263.12659	0.7
267.07135	6.8
281.13922	2.0
287.05554	0.8
307.03018	0.6
309.06204	3.1
355.17651	0.8
369.18765	0.8
369.22961	3.8
399.20117	4.7
469.21097	1.0
479.03003	0.6
487.21655	0.9
493.03409	0.6
493.09363	3.7
495.10324	1.5
495.16330	3.2
513.19818	2.0
531.20789	100.0
532.21350	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	531.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03450	4.8
59.01377	25.1
61.98826	10.3
68.99818	1.8
69.03460	1.4
71.01376	19.3
71.05044	1.2
72.09689	0.8
72.99297	5.8
73.02937	5.5
75.00870	16.3
82.95409	15.0
83.01347	1.7
85.02949	21.4
87.00864	5.7
89.02434	7.4
93.03474	1.1
95.01357	4.0
99.00883	9.3
99.04519	44.2
101.02444	4.0
103.00366	1.2
109.02935	1.3
111.00867	1.0
113.02454	20.8
115.00378	1.8
115.04015	0.9
116.92857	2.9
117.01940	2.6
123.04540	0.9
125.02446	3.0
129.01987	1.8
131.03445	0.9
137.02489	1.7
137.09738	1.5
139.07663	3.5
141.90892	0.8
151.00453	0.8
153.01892	1.0
161.04544	1.1
161.08192	4.8
167.03511	2.3
169.01344	0.7
175.02475	1.6
175.14914	2.5
192.00676	1.4
206.50671	0.7
209.04523	1.1
219.13841	4.8
223.92625	0.7
231.05028	2.3
249.06125	20.6
263.12784	0.8
267.07178	9.0
280.40887	0.8
298.47296	0.8
349.11392	26.8
350.12314	0.8
399.23782	1.9
469.20941	2.3
495.18906	1.3
513.19684	10.5
531.20819	100.0
531.28058	12.5
532.20837	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	531.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.6
57.03434	2.2
59.01378	100.0
61.98818	1.7
64.34839	1.0
69.03456	1.4
70.12087	1.3
70.12415	2.0
71.01378	17.1
71.52798	0.9
72.99303	1.7
73.02946	11.1
74.51129	0.9
82.95419	3.1
83.01378	3.7
85.02949	9.5
87.00866	1.1
89.02447	14.0
96.96007	5.3
97.02966	1.4
99.00861	3.5
101.02454	19.5
110.77125	1.1
113.02469	5.7
117.62967	1.0
119.03480	1.8
125.02447	9.8
131.03500	14.8
149.04587	5.7
161.04578	2.6
163.07666	1.3
191.05544	5.0
201.11264	1.3
221.15546	1.1
233.06638	2.9
239.16566	1.5
255.42300	1.2
267.15915	1.5
283.15457	2.4
293.08850	2.9
305.06665	1.5
367.08261	1.9
427.19397	2.6
445.21021	1.8
531.28479	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	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25199	0.9
55.01875	1.1
56.05320	0.8
57.03448	5.5
59.01379	26.0
60.80618	0.8
61.98812	3.5
67.01897	1.1
68.99812	1.5
69.03437	2.4
69.08305	2.0
69.08716	3.6
71.01015	1.2
71.01380	16.9
71.35132	0.8
71.81091	0.9
72.99308	5.3
73.02932	3.5
75.00869	15.5
81.03439	0.9
82.95415	6.5
83.01379	1.9
83.05020	1.1
85.02960	18.3
87.00878	7.1
88.98792	1.3
89.02442	5.8
93.03471	1.0
95.01389	5.2
96.96000	3.0
98.22650	2.1
99.00882	9.1
99.04518	42.7
101.02435	3.5
103.00333	1.3
109.02943	1.2
111.04499	1.1
113.02449	20.6
115.00388	2.2
117.01975	1.6
119.03464	0.8
123.04540	1.1
125.02423	1.5
128.46069	0.8
129.01933	1.9
136.24902	0.8
137.09726	1.4
139.07646	3.5
139.08720	0.8
153.01924	0.8
161.02542	1.0
161.04594	1.1
161.08221	7.3
175.02454	3.4
175.14914	2.7
179.10793	0.9
189.04016	1.6
192.00624	0.9
219.13855	4.8
221.11845	3.0
228.47064	0.8
231.05138	1.6
232.13345	0.9
239.09155	1.5
249.06146	22.1
267.07156	8.9
349.11392	29.3
469.21091	1.8
513.19708	13.7
518.93646	0.9
531.20825	100.0
531.27710	5.0
532.21008	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51532	4.0
59.01374	7.8
61.98825	27.2
70.29801	3.3
81.07211	3.4
99.00915	5.8
107.05072	5.1
108.02158	5.7
109.02917	8.9
114.77006	3.8
125.02432	8.5
137.99579	11.2
151.04004	18.5
162.16541	3.2
163.04016	10.9
167.02065	3.3
180.09894	3.2
187.45731	3.8
221.67189	3.6
260.17334	3.4
301.18008	3.6
309.28152	3.3
355.22690	4.5
383.22202	6.8
423.21698	6.9
439.20969	16.0
441.22852	12.4
467.20737	88.3
469.22214	81.8
495.20221	100.0
496.20502	6.2
531.29175	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	531.2806
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
53.34042	0.3
54.01669	0.3
54.40453	0.3
55.01872	2.3
57.03445	3.1
58.00591	0.7
59.01377	35.3
61.98830	9.3
66.91904	0.3
69.03452	2.2
69.21822	1.9
71.01379	45.9
72.99306	1.1
73.02942	17.5
75.00859	1.9
81.03455	1.4
82.95427	3.0
83.01383	5.1
85.02947	16.2
85.06583	0.4
87.00865	2.2
89.02442	27.7
95.01391	2.9
97.02945	3.5
99.00880	11.4
99.04529	0.7
101.02442	30.6
108.02164	1.1
109.02954	0.7
110.13560	0.3
111.00874	1.1
113.02447	16.9
115.04009	2.9
117.83097	0.3
119.03503	3.2
119.04948	0.5
119.08784	0.3
122.03712	0.5
123.08150	0.4
125.02437	9.0
129.01924	0.6
131.03499	4.4
137.02441	0.6
137.09700	0.5
143.03505	2.5
145.02937	2.3
149.04549	9.6
152.01105	1.0
153.01845	0.3
159.02997	2.5
161.02397	0.7
161.04558	12.8
163.07654	0.8
163.11296	0.5
167.03484	3.3
179.05550	0.7
191.05588	3.6
192.07903	1.0
207.10263	5.2
219.13947	0.3
219.17537	2.8
221.06615	0.7
223.09715	1.5
233.06648	6.6
237.18565	7.4
243.12297	1.1
251.07719	0.8
281.08633	0.3
293.08792	9.2
301.02335	0.4
307.08142	0.4
314.04688	0.4
321.20386	0.5
330.06952	0.6
331.07169	0.7
369.22791	0.6
385.14688	0.6
399.18823	0.7
399.23846	11.2
440.17728	0.4
443.22653	0.5
531.28082	100.0
532.28326	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	531.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91884	1.6
65.37634	1.5
107.67655	1.6
111.00883	2.4
123.00851	12.6
124.01627	4.0
137.02446	7.0
139.00366	8.8
141.39342	1.7
152.01195	2.1
165.01935	5.1
166.02740	2.0
221.45944	1.6
249.14819	2.0
277.14545	2.5
288.54858	1.7
319.19128	12.9
331.19113	4.0
441.22821	4.0
469.22729	8.1
473.25375	7.9
483.23819	2.8
501.24808	30.9
502.25302	1.7
531.29620	100.0
532.29871	6.6
547.67963	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	531.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56971	0.5
69.55722	1.3
69.56098	1.9
75.25466	0.5
80.63109	0.5
86.39977	0.5
89.09200	0.6
96.02130	0.7
108.58375	0.5
108.79470	0.6
109.02894	0.8
123.00876	1.8
124.01663	2.7
125.02428	0.8
137.02425	8.6
138.03191	2.2
139.00288	0.6
139.04021	1.0
151.04019	2.9
152.01155	1.4
153.01933	3.0
165.01909	2.4
166.02641	2.0
172.45279	0.5
179.02179	0.5
179.03516	3.5
188.37950	0.6
193.05043	1.0
196.20825	0.6
214.29987	0.6
221.08212	1.1
263.12714	1.1
277.14368	1.1
291.15991	1.2
305.17517	0.8
305.21017	0.8
331.18875	1.3
333.20682	4.5
347.22009	0.5
369.24289	0.7
373.27368	1.0
389.26767	0.7
401.26843	1.6
417.26434	1.1
427.24747	0.8
429.26099	0.8
437.23328	0.9
441.22827	2.8
445.25677	2.5
451.21124	2.1
455.24564	3.0
465.22598	1.0
469.22180	7.4
473.25421	8.7
483.23938	4.1
501.24826	23.7
502.25040	1.6
516.27112	1.0
531.29547	100.0
532.29858	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	531.2961
Annotation	WIKSTROELIDE E
Peak:m/z	Relative Intensity
70.11925	3.8
74.72109	1.4
105.12080	1.3
109.83612	1.5
136.01730	1.8
150.03229	2.8
152.01158	1.9
184.73302	1.5
237.14967	1.7
249.14958	6.1
250.18404	1.3
265.14444	44.2
315.15900	4.0
331.15335	2.6
373.16342	2.2
383.29099	2.0
441.30194	1.9
444.28583	2.3
472.28061	3.1
487.30566	4.6
513.28473	21.9
531.29578	100.0
532.29926	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	531.2961
Annotation	Ganoderic acid eta
Peak:m/z	Relative Intensity
56.43761	0.9
69.95483	2.0
76.69332	0.7
79.18478	0.7
89.56967	0.7
95.01343	0.9
96.02165	1.6
112.73583	0.7
123.00867	3.0
124.01665	7.0
148.30394	0.7
152.01125	5.8
160.73334	0.7
166.02702	1.2
167.14432	1.8
171.04405	0.8
173.21019	0.8
185.06139	0.9
191.14418	2.5
201.01944	1.3
215.03479	1.7
229.05107	1.3
237.14946	10.6
249.14905	3.8
263.12814	0.7
265.14426	100.0
266.14774	1.9
289.14429	1.5
298.19382	1.2
300.17130	1.2
314.15189	3.2
324.17200	1.1
328.16818	2.8
331.15530	1.0
358.14151	1.1
385.31174	2.5
397.31061	6.5
413.30707	1.6
429.30002	1.5
441.30121	5.7
457.29434	1.3
485.28934	1.2
487.30402	0.9
513.28534	41.4
514.28925	2.3
521.26355	0.8
531.29700	10.1
554.80817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3178
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
57.03444	2.2
59.01381	16.6
69.03450	1.2
69.33731	5.4
71.01374	14.9
72.99293	3.6
73.02917	2.0
75.00864	12.6
78.12868	1.3
78.95846	1.1
85.02946	18.9
87.00868	6.6
89.02437	4.5
89.48435	1.0
95.01388	5.0
96.95993	4.1
98.22727	1.9
99.00873	6.5
103.00389	1.7
113.02444	25.9
117.01933	2.2
175.02449	4.0
175.64340	1.0
205.07098	1.2
223.08348	1.2
249.06180	4.0
267.07251	4.8
274.82584	1.2
280.44470	1.4
281.24829	61.0
282.25327	1.6
513.30536	2.3
531.31744	100.0
532.31940	4.3
556.69281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	3.8
69.50838	10.8
74.47771	2.7
78.53269	2.6
84.66724	2.7
95.01365	4.4
123.00906	20.8
124.01627	4.9
137.02429	18.9
151.03929	3.5
165.01955	5.5
198.87395	3.0
246.56094	2.7
263.16595	4.8
285.07541	3.0
301.52914	2.9
318.45612	2.7
319.19122	3.6
439.21347	6.7
441.33939	5.9
443.24448	4.4
459.34744	3.0
469.25568	6.4
470.54565	2.8
471.23758	26.2
486.26111	7.7
487.34375	7.8
501.28714	100.0
502.28668	3.2
516.30902	70.1
517.31165	4.3
528.28931	3.4
531.32678	51.8
532.33130	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	532.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66666	0.3
59.01380	8.0
60.56904	0.4
61.98829	93.0
69.32870	1.9
71.01387	1.8
73.02942	1.7
80.03833	0.4
83.01390	0.7
85.02975	0.4
89.02457	1.1
93.03458	42.7
101.02453	1.2
113.02458	0.6
137.02441	100.0
138.02806	0.7
188.67279	0.4
231.22313	0.4
309.77164	0.4
310.32056	0.5
425.14594	8.7
488.25720	2.1
491.28357	0.8
531.27936	0.9
532.28101	1.5
533.29565	3.1
546.04187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89075	0.4
59.00936	0.5
59.01375	26.7
61.98825	100.0
66.44067	0.4
69.44977	2.2
71.01379	6.5
73.02955	3.4
83.01385	1.2
85.02946	1.8
87.69025	0.6
89.02453	2.1
94.85786	0.5
98.21826	0.9
99.00909	0.6
101.02447	4.6
113.02457	1.7
125.02486	1.0
149.04596	0.9
161.04539	2.3
168.23232	0.5
203.05632	0.8
211.48044	0.5
242.03972	0.5
352.07983	0.5
399.23962	1.2
400.24335	1.6
531.28339	2.2
532.28455	5.0
533.29712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13599	0.3
58.26463	0.4
59.99164	0.3
61.98829	100.0
69.18426	1.4
78.68150	0.4
89.21694	0.3
94.58414	0.4
96.95348	0.3
102.60545	0.3
108.20180	0.3
253.14464	0.4
254.14746	0.5
277.14471	1.5
278.14795	1.2
305.14038	1.0
306.14328	1.1
477.42535	0.3
532.30035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86290	0.2
59.01376	0.7
61.98828	100.0
69.24555	1.2
70.49081	0.3
142.32216	0.3
162.86674	0.2
197.91867	0.3
201.90883	0.3
369.03708	0.3
397.88110	0.3
462.58713	0.3
469.25919	3.8
470.86139	0.3
482.47293	0.3
528.71216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.51517	0.8
74.52930	0.2
96.96001	0.2
106.21471	0.2
111.53737	0.2
145.06183	0.3
158.84669	0.5
160.84200	0.2
289.64352	0.2
319.98691	0.2
411.22009	0.4
423.21906	0.8
426.24179	0.2
439.21310	0.8
454.23856	0.2
469.25888	3.3
518.43280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57092	0.8
59.01369	2.9
61.98816	1.6
68.34175	0.7
68.61754	0.7
69.63345	2.6
71.01362	1.5
77.70385	0.7
82.22803	0.8
86.76724	0.7
87.84705	0.8
89.02438	2.0
101.02450	2.7
149.88167	0.7
161.04539	0.8
162.83856	0.9
211.37756	0.9
235.08275	2.4
253.09319	10.8
253.21701	100.0
254.21927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44197	0.7
56.54552	0.7
59.01368	3.7
61.98823	2.3
69.17122	3.4
71.01371	1.3
78.95910	1.0
89.02464	2.0
98.22614	1.4
101.02424	2.4
112.34055	0.7
113.02468	0.8
116.51045	0.7
116.74251	0.9
120.36053	0.8
127.25387	0.7
128.87746	0.8
152.99590	1.4
161.04575	0.9
162.83952	3.4
188.54939	0.7
196.89461	1.2
235.08223	2.4
253.09296	13.0
253.21727	100.0
254.21985	1.9
293.63388	0.8
337.58841	0.9
470.62592	0.8
489.30789	1.6
496.28012	1.1
559.48444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05940	0.2
59.17049	0.2
61.98828	100.0
69.26772	0.9
74.11873	0.2
93.90306	0.2
96.96021	0.5
100.84705	0.2
167.06503	0.2
186.88412	0.4
196.89581	0.3
200.63843	0.2
221.80623	0.3
253.91835	0.2
255.86856	0.2
309.09305	0.2
481.29282	0.7
495.30942	0.2
496.31534	1.5
532.31427	0.2
546.14331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.9809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	66.8
69.56628	0.4
69.61352	0.3
69.77525	0.4
69.77870	1.1
90.97133	0.5
92.50158	0.3
98.21816	0.3
106.06459	0.4
111.57320	0.3
118.96643	0.4
132.98213	2.1
174.99236	35.2
201.02650	0.9
217.00279	100.0
218.00621	1.1
322.07590	0.3
359.01517	1.3
374.99173	71.6
375.99554	0.9
461.40826	0.3
472.98053	0.4
532.98199	1.2
558.84668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
59.01376	14.0
61.98817	2.3
69.03476	0.4
69.20482	2.0
71.01383	2.7
73.02937	2.2
75.00883	0.7
83.01388	0.8
83.05054	0.4
84.95115	1.2
85.02941	2.2
87.00878	1.4
88.98860	0.5
89.02464	1.5
91.01908	0.5
95.01375	0.5
96.96000	2.8
97.02954	0.4
99.00885	0.7
101.02473	2.1
106.00515	0.4
108.02144	0.7
109.02962	1.1
111.00887	1.4
113.02448	1.7
116.92849	1.5
117.80642	0.5
119.01385	1.1
121.02945	0.6
123.04546	1.7
124.01727	0.9
125.02450	4.6
133.02980	0.7
135.32468	0.4
136.01645	2.2
137.02435	1.0
138.03239	0.5
147.00868	0.9
149.02478	2.0
149.99594	0.4
153.01958	1.7
161.02440	1.9
161.04573	0.4
162.03194	1.7
163.00276	0.5
163.03925	0.6
164.01157	7.6
164.04778	1.4
165.01967	0.9
166.02718	1.2
169.01389	0.7
169.07420	0.4
175.00346	5.8
177.01962	2.1
178.99866	3.0
179.03561	0.5
179.07158	0.4
180.00481	0.4
189.01936	1.4
190.02713	17.5
191.03430	1.6
192.00638	100.0
193.01382	9.1
194.02223	2.5
205.01521	2.8
205.05052	17.2
205.06990	0.9
206.02217	2.7
206.05739	1.3
207.02969	59.9
208.03406	0.8
209.06187	0.6
211.13365	1.2
221.00822	0.7
221.08170	1.3
222.01706	1.8
223.06139	1.4
233.00764	0.6
234.01674	8.1
237.03940	0.9
247.06099	0.6
249.04004	5.8
249.06349	0.7
250.04843	0.8
253.05026	2.7
254.05428	0.7
255.05634	1.3
265.07159	2.9
309.06088	1.4
312.04816	1.7
325.09271	6.3
327.07242	4.1
335.22107	1.0
350.52682	0.5
371.24176	0.4
410.89731	0.6
413.21600	1.4
431.22937	1.0
432.13437	0.5
447.22397	1.3
473.27927	2.3
489.23526	1.3
491.28677	0.9
497.09515	0.7
518.10425	1.5
532.28265	0.5
533.12976	10.8
533.22351	2.2
533.29889	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	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91569	0.4
59.01379	11.4
61.98841	0.9
67.09576	0.5
71.01376	6.8
73.02962	1.0
79.33587	0.5
82.95403	0.7
83.01372	0.7
84.95116	1.2
85.02952	1.3
87.00874	0.8
89.02435	8.1
89.80175	0.5
92.68079	0.5
95.01343	0.5
95.40446	0.4
99.00860	0.5
101.02441	2.0
113.02448	3.5
119.03497	3.1
125.02441	1.3
131.03511	0.7
137.02359	0.6
139.04041	0.8
145.02933	1.4
151.36813	0.4
165.01883	0.8
169.05057	1.5
179.05666	1.5
179.08772	0.6
193.01317	0.6
193.05069	1.3
195.08188	1.1
206.07294	1.1
207.08200	3.2
209.06108	1.1
209.11804	0.7
222.06659	0.5
222.20151	0.5
223.07590	2.7
233.06128	1.7
234.06842	1.9
235.07649	5.5
237.05684	0.5
238.09970	0.6
245.06204	0.6
249.05736	0.7
250.06505	1.3
251.07121	22.8
261.05600	1.7
262.06290	3.1
262.19235	0.5
263.07114	10.4
264.07794	5.0
265.08688	1.0
265.11707	0.5
267.06836	1.5
277.08701	1.2
278.05829	1.5
278.09335	1.2
279.06619	26.8
279.09738	1.3
280.06854	0.6
282.08969	1.2
286.41068	0.5
289.47821	0.5
293.08264	1.5
294.05753	0.4
294.08972	8.6
295.06131	10.6
295.09320	1.0
301.60364	0.5
307.06140	5.5
308.06827	1.3
309.07681	1.3
310.08463	4.9
321.07648	1.3
322.04904	0.9
322.08453	10.1
323.05600	28.7
323.08969	2.0
324.05978	0.8
337.07050	1.2
338.03842	1.1
338.07959	21.9
353.10281	100.0
354.10660	2.7
371.11411	0.6
413.15082	0.7
489.23148	2.6
533.22021	3.7
533.29095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41276	0.2
51.49915	0.2
57.03428	0.3
59.01373	1.5
61.98825	0.4
69.24372	0.5
69.24773	1.1
71.01374	0.4
73.02944	0.3
79.95721	1.9
82.88026	0.3
82.95421	0.4
85.02946	0.3
88.98816	0.9
95.95271	0.2
96.96005	100.0
101.02435	0.4
104.59032	0.2
107.12137	0.2
113.02457	0.3
125.02457	1.6
137.02432	0.2
139.04051	0.4
153.01935	0.5
155.02382	0.2
161.02399	0.3
169.01476	0.3
177.01933	0.3
191.10840	0.2
217.05344	1.3
224.55157	0.3
261.04352	54.0
262.04572	0.7
371.16855	0.4
383.14072	0.3
497.13651	0.3
533.22351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93709	0.8
58.20764	0.8
59.01369	3.6
61.23101	0.8
71.01365	1.9
71.44384	0.8
73.02946	1.6
81.03482	5.3
82.95400	2.3
83.01406	4.3
84.95123	19.3
85.02943	0.9
93.03462	1.1
95.01366	2.4
95.05024	4.8
97.02939	2.6
99.00886	0.8
99.04519	0.9
101.02454	1.5
101.06067	1.7
107.04984	1.1
109.02931	1.6
109.06559	1.4
111.04551	2.0
113.02464	2.1
121.02929	2.5
121.06596	1.3
123.04529	6.3
125.02457	8.4
125.06071	6.7
129.56198	1.0
135.04578	1.5
137.02414	3.4
137.06029	2.3
137.09737	1.0
139.03976	3.7
147.04440	0.9
148.30157	1.1
151.03958	1.3
162.14589	0.8
163.04080	1.2
165.05531	2.3
165.09215	6.2
167.03487	14.4
167.07201	1.0
177.09033	0.9
179.03526	0.9
179.10762	3.6
181.05052	2.0
181.08673	3.6
191.03552	0.9
191.10524	1.0
193.05055	1.2
197.04561	3.9
203.10588	1.2
205.08626	1.2
207.06613	1.4
207.10301	1.6
209.04567	17.7
209.08159	9.7
221.08195	5.1
223.06168	1.0
223.09775	1.3
235.09720	2.6
239.05629	6.2
251.09235	18.6
261.07730	1.0
263.09232	8.4
265.10898	1.3
269.06497	1.9
275.09421	1.4
277.10736	1.7
281.10318	7.3
283.19348	0.9
290.07935	1.0
293.10300	100.0
294.10638	3.5
305.10208	4.5
307.11731	1.2
323.11337	70.3
324.11627	1.6
335.11310	3.6
353.12396	19.7
365.12180	1.4
395.13535	7.6
413.09421	1.5
413.14520	19.0
425.14407	6.6
443.15021	1.4
447.09024	1.4
489.23611	1.1
490.14938	0.8
515.17554	2.1
533.18744	14.7
550.17926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.79931	0.6
57.03437	2.2
58.00594	1.0
59.01376	31.5
61.98837	1.3
68.53085	0.6
69.03424	0.9
69.33858	1.6
69.34256	2.2
71.01382	24.6
71.07285	0.8
73.02943	7.0
75.00842	1.0
78.40530	0.6
82.95410	2.7
83.01394	4.0
84.95113	5.6
85.02950	10.6
87.00884	3.0
89.02441	11.7
95.01386	1.9
96.96030	0.9
97.02915	1.9
98.21863	1.3
99.00877	2.9
101.02446	19.8
108.02179	4.2
109.02955	2.6
111.00888	1.2
113.02451	10.5
116.92857	0.8
119.03487	4.2
121.03015	0.7
123.04522	2.2
125.02426	3.9
131.03513	1.5
135.04503	2.1
137.02426	7.2
138.03221	0.7
143.03476	2.7
148.08914	1.0
151.03995	2.7
161.04561	6.1
167.03484	2.1
169.01414	1.4
174.03227	1.8
176.08435	5.3
177.09219	2.3
178.09958	0.9
179.05609	1.2
191.10767	11.5
193.08638	1.5
193.12358	2.9
194.09436	2.9
197.04588	0.7
209.11819	71.8
210.12216	1.5
221.06586	1.7
221.08437	0.8
225.05649	1.0
226.08568	1.2
239.16537	0.7
251.06898	1.4
251.09244	1.5
255.02872	1.1
263.07104	0.7
267.06714	1.8
279.06635	1.8
281.10287	0.8
282.09055	1.4
284.03177	1.2
285.04102	1.8
293.10342	1.8
309.07877	0.7
310.08350	0.6
322.08676	0.7
323.05649	1.6
323.11581	4.4
338.07938	1.8
341.10077	4.0
353.10107	13.8
371.11462	2.5
371.17099	20.0
395.11334	1.0
489.10248	1.4
497.15350	0.9
533.22375	100.0
534.23206	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18701	0.6
59.01377	100.0
61.98836	1.0
69.28677	3.9
71.01379	6.6
73.02937	2.7
75.62068	0.7
76.18887	0.7
83.01398	1.5
84.95142	2.0
85.02953	8.5
85.70888	0.6
87.00879	5.9
89.02444	2.1
95.01392	1.3
99.00887	1.5
100.08755	0.8
101.02439	6.3
108.09218	0.7
113.02432	4.4
123.04533	2.6
125.02431	1.2
125.06123	1.5
135.30363	0.7
141.05602	1.6
144.65100	0.7
153.12947	1.1
159.02882	0.7
161.04582	3.0
181.62773	0.7
235.13474	0.9
276.62112	0.8
315.18143	4.9
335.22522	2.0
337.74622	0.7
355.17773	1.7
387.90347	0.7
402.40634	0.8
411.20297	1.2
413.06216	0.7
429.21259	40.7
430.21857	1.0
447.22330	16.6
489.23398	11.3
497.27563	13.1
533.29382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03426	0.8
57.35962	0.6
59.01377	100.0
61.98837	0.6
70.28027	0.7
71.01386	7.8
72.99297	1.3
73.02948	4.1
83.01403	1.1
83.05072	0.7
85.02943	5.4
87.00866	4.9
89.02454	3.5
95.01381	0.7
96.21300	0.7
96.95993	0.8
97.02956	0.7
99.00900	2.1
101.02443	5.4
113.02431	6.7
123.04537	1.6
125.02470	2.4
125.06080	1.7
141.05586	1.4
143.03494	1.5
147.32712	0.8
147.84926	0.6
159.03006	0.9
161.04593	2.8
163.06149	1.6
169.05057	1.4
172.87674	0.6
192.00739	0.8
233.06624	0.8
257.57410	0.6
280.11652	0.9
315.18134	0.9
339.91797	0.7
349.76755	0.7
429.21246	15.7
429.26767	1.0
430.22281	0.9
447.22345	9.2
477.95139	0.7
489.23422	1.3
491.28864	0.9
533.29559	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	533.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57430	0.8
54.39125	0.9
55.01870	1.7
57.03435	1.4
58.07240	0.9
59.01374	23.5
61.98826	9.7
69.39938	4.5
71.01378	13.3
73.02940	4.5
75.00847	1.0
78.42854	0.9
82.95377	1.9
83.01373	2.9
84.95113	15.5
85.00432	6.2
85.02935	4.1
87.00832	1.1
89.02428	7.3
90.59674	0.8
95.01364	2.2
96.96040	1.3
99.00900	1.5
100.15096	1.1
101.02432	10.8
113.02437	6.6
116.92834	3.7
119.03427	2.2
125.02453	2.5
161.04578	1.1
167.03503	1.0
221.11838	14.5
235.13315	1.6
273.18768	1.3
274.02676	0.9
299.20026	1.9
317.21051	3.2
335.18619	1.1
335.22275	13.6
401.25000	1.5
497.27557	100.0
498.27628	4.2
533.29895	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	534.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.0
59.01377	15.4
61.98826	81.7
62.04226	0.6
69.03445	3.2
69.12990	3.9
71.01371	5.5
71.05016	0.8
71.06528	0.6
73.02943	3.7
75.00874	1.2
81.03443	1.6
83.01382	2.5
85.02941	2.8
87.00862	1.4
89.02438	4.7
95.05038	1.1
96.95979	0.7
97.02912	0.9
98.16401	0.6
98.22614	1.2
101.02441	7.9
103.04020	3.8
105.03468	3.8
113.02435	1.1
115.04016	1.0
116.92831	1.9
117.92833	1.4
119.03494	2.5
124.01638	4.0
125.02440	100.0
128.42142	0.7
132.12849	0.6
133.02963	1.3
137.02425	5.9
139.03975	1.4
139.11290	6.1
143.03503	1.3
145.05072	1.5
161.02432	43.3
162.03116	1.0
163.06113	8.9
165.01933	1.4
168.00655	8.0
177.05588	2.2
183.02979	22.0
183.10243	30.8
201.05547	1.8
205.07135	1.8
209.11798	5.7
210.12221	1.9
227.03387	0.8
238.12134	3.5
243.06535	1.1
247.08385	0.9
249.12898	0.7
253.14449	2.7
269.04507	5.7
287.05603	38.4
305.06818	2.6
306.07983	0.8
307.10312	4.8
328.54544	0.6
333.06183	1.5
333.88901	0.7
345.06033	0.9
371.17023	8.0
371.21106	0.7
372.17383	6.1
372.21188	0.8
415.19714	2.6
471.09299	5.5
491.21466	2.6
534.23730	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	534.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91733	1.3
59.01377	26.1
59.05289	1.1
61.98832	15.3
69.25146	4.2
69.25547	2.1
71.01369	4.5
71.61683	1.2
72.99304	1.4
73.02942	2.5
80.05064	6.4
83.01367	2.2
85.02962	2.6
89.02444	2.0
96.96011	1.3
97.06561	1.4
101.02444	4.0
106.06622	72.3
108.04568	6.0
108.08224	7.6
113.02396	1.7
123.45740	1.2
125.02422	7.5
126.02760	1.4
132.04541	4.2
134.06123	35.9
134.09743	4.9
150.05603	11.9
152.07162	22.6
160.04042	35.9
161.04732	2.4
162.05626	7.4
165.09184	1.8
174.05580	2.0
176.07141	4.6
178.05078	5.5
183.09280	2.8
192.94580	1.2
194.08032	1.4
196.06392	1.2
211.08690	6.1
213.08006	1.2
213.10307	4.8
225.10219	6.2
227.11905	11.1
239.08243	5.2
239.11856	2.8
240.10249	2.1
241.09840	14.6
241.13437	9.9
249.10347	4.0
251.08229	1.3
252.09016	2.3
253.09811	11.6
254.10579	3.4
259.06137	1.6
260.06448	2.0
267.11383	10.8
267.14838	2.6
269.04547	2.7
269.12936	19.7
277.09698	1.7
285.09399	2.0
285.12454	30.7
287.05597	1.5
295.10791	15.3
311.10495	8.5
313.11920	65.9
329.11426	7.4
339.09695	5.0
340.97116	1.5
344.13998	3.4
384.17108	1.5
386.15067	1.8
400.12875	2.7
428.16110	9.3
430.14050	2.9
446.17252	31.4
467.09561	1.4
472.15033	18.7
490.16193	100.0
491.16516	3.4
533.29767	5.6
534.16937	4.1
534.29602	3.8
535.31372	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	534.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01376	0.5
61.98827	100.0
69.33013	0.6
69.33418	0.4
71.01405	0.2
102.60202	0.2
105.03455	0.3
116.92900	0.2
125.02441	9.9
137.02486	0.5
158.40187	0.2
161.02446	4.5
161.03693	0.3
167.03525	0.2
176.67519	0.2
177.05545	0.3
179.64082	0.2
201.05486	0.3
236.34428	0.2
247.90259	0.2
269.04504	0.2
287.05606	3.1
305.06833	0.6
521.65833	0.2
534.22839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.6
57.58773	1.4
59.01382	33.2
60.01712	1.9
61.98827	8.2
69.40231	5.0
71.01373	16.8
72.99271	1.5
73.02946	4.1
81.01646	1.5
83.01346	2.3
85.02950	6.2
86.60754	1.4
87.00855	3.0
89.02439	13.2
91.46237	1.4
96.96035	3.5
101.02439	3.6
107.99295	1.4
108.02165	2.8
109.02946	5.7
112.71175	1.8
113.02448	5.7
123.04545	3.0
125.02435	5.7
126.02842	1.5
151.04066	1.9
152.01108	3.6
153.01472	1.6
159.04527	2.0
161.04677	1.8
165.05598	1.9
167.03477	3.4
172.05321	2.8
173.06093	3.5
180.26109	1.7
187.07626	2.9
191.10707	2.1
192.00668	4.2
193.01135	5.3
194.01401	2.6
197.04526	1.9
208.03259	2.4
209.11784	5.3
210.12122	5.0
229.71797	2.0
235.20328	1.7
251.09271	2.1
252.09569	1.9
255.06595	2.2
281.08102	2.1
291.59274	1.5
293.10315	6.4
294.10703	8.5
295.09613	3.2
299.08978	2.3
311.09232	2.9
313.10818	6.0
323.11307	3.5
324.11664	8.6
325.10767	1.9
326.11667	5.6
341.13879	4.6
344.12656	18.6
354.12399	3.6
359.14978	45.5
360.15323	3.7
371.17114	5.9
372.17490	13.8
387.14502	2.9
414.14746	2.9
491.19217	100.0
492.19431	4.0
493.22934	2.4
496.10556	9.4
534.18646	8.5
535.22113	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	534.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21404	2.0
53.56202	1.8
55.84784	1.9
56.80606	2.1
57.03445	3.9
59.01378	60.1
61.44457	1.8
61.98816	11.0
71.01382	28.8
71.45291	2.6
72.99311	4.1
73.02940	7.6
75.00874	4.1
78.91885	6.7
81.59711	2.0
83.01392	2.8
85.02956	12.6
87.00876	3.6
89.02441	19.9
96.96026	4.2
99.00899	4.8
101.02464	10.5
109.02943	8.5
110.64697	2.5
113.02467	12.1
116.92885	4.1
119.03496	4.5
123.04493	2.1
125.02416	14.2
148.57668	2.0
150.22412	2.4
155.08179	3.1
159.04472	5.0
161.02521	2.6
169.01466	2.7
176.08463	2.8
179.10744	5.4
180.11143	4.2
191.10797	2.5
192.11172	2.5
209.08311	2.3
209.11809	9.1
210.12254	6.2
215.03502	2.5
234.62950	3.2
241.05107	4.5
249.06062	4.8
250.06567	2.9
253.04959	2.5
255.06526	3.4
267.07071	4.6
295.09784	4.8
299.09213	3.5
311.09155	4.6
313.10837	3.7
324.11908	2.7
326.11624	7.2
329.10199	2.9
341.13953	7.4
344.12695	20.6
354.12695	3.2
359.14966	50.3
371.17239	12.5
372.17496	22.6
378.01263	3.0
430.18188	14.8
456.72690	2.2
474.16934	5.1
491.19211	100.0
492.19696	2.8
534.19653	15.9
535.24969	3.7
563.87689	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	534.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	42.8
60.65110	1.3
61.66928	1.5
61.98840	7.2
62.91716	1.3
69.20705	7.3
71.01379	21.6
73.02969	1.9
83.39620	1.2
85.02940	4.6
89.02444	44.0
96.96010	3.5
96.98513	1.1
101.02451	5.4
113.02448	5.5
114.04185	1.4
117.23882	1.1
119.03505	2.4
129.39845	1.2
131.03513	8.0
135.99719	1.2
145.02934	2.5
149.04553	14.7
255.10130	6.8
266.05948	1.5
283.09720	22.3
294.09134	1.3
295.09811	2.7
296.10464	2.6
298.12030	2.8
309.11371	2.3
310.08511	1.7
310.12106	2.2
311.09229	63.6
312.09409	1.9
325.10709	2.5
326.11578	49.2
327.11734	1.6
341.13919	100.0
342.14429	1.8
467.67291	1.4
490.23688	2.3
534.21777	1.5
535.23773	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	534.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83060	0.8
57.03448	13.2
58.00574	0.8
59.01375	27.3
59.63939	0.7
61.98828	97.1
63.17447	0.8
68.57822	0.7
68.59277	0.8
69.03461	6.4
71.01379	9.0
71.05029	1.6
73.02944	8.7
77.83543	0.8
81.03449	1.9
83.01391	2.7
85.01405	0.7
85.02932	5.3
87.00860	1.1
89.02437	10.8
93.03373	0.9
95.05041	1.0
96.29630	0.7
97.02941	1.7
99.00820	0.9
101.02436	16.0
103.04006	12.6
105.03477	2.3
111.08144	0.9
113.02430	1.3
115.04010	1.6
117.92815	0.8
119.03509	6.0
121.51791	0.8
123.00871	1.0
124.01657	10.4
124.43797	0.9
125.02441	100.0
126.02827	0.9
126.68533	0.7
131.03502	1.5
133.02933	1.2
133.90872	0.8
135.70804	0.7
137.02441	5.8
139.03996	4.0
139.11275	14.2
143.03461	2.7
145.05042	2.3
161.02438	39.6
163.04863	1.5
163.06120	18.9
165.01900	2.9
167.03539	1.4
168.00639	13.7
169.01369	0.7
175.03908	0.8
177.05583	2.7
179.03435	1.2
183.02979	61.7
183.10249	69.0
184.03378	1.8
184.10704	1.0
201.05559	2.1
205.07199	5.3
209.11813	7.9
210.12164	6.0
219.06667	1.8
225.11513	0.9
227.03358	0.8
229.01509	0.8
229.24524	0.9
238.12067	2.3
247.08185	1.9
253.14491	1.0
269.04379	3.8
287.05579	29.5
289.09589	1.2
305.06693	9.3
307.10312	12.2
322.22415	0.8
322.26312	0.9
371.17038	6.8
372.17361	15.9
414.37000	0.8
415.19617	1.6
463.31357	0.9
471.09335	5.9
491.21121	4.9
534.23102	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	534.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28566	0.2
61.98829	100.0
65.61456	0.1
69.53743	0.3
69.54142	0.3
78.95907	0.2
81.80992	0.2
93.95837	0.2
101.16786	0.2
108.02200	0.4
109.02975	0.9
123.00939	0.3
124.01683	0.4
135.68503	0.1
137.02434	1.6
138.03259	0.4
149.08476	0.2
151.04008	1.6
162.83980	0.3
184.94363	0.2
306.05273	0.2
314.18372	0.2
408.09805	0.2
417.99487	0.2
423.21820	0.2
433.23834	0.2
439.24783	0.8
441.22867	0.4
456.25131	6.8
457.25455	0.2
471.27490	20.3
472.27679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40363	0.6
53.60927	0.7
53.69355	0.6
61.98828	100.0
63.17232	0.7
65.25056	0.8
66.61941	0.7
66.87543	0.7
69.16175	4.7
82.93458	0.7
93.96214	0.7
98.21870	1.7
162.83887	1.7
226.49487	0.8
245.90309	0.8
255.22299	0.8
492.58206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.19313	0.8
69.78123	2.3
69.78458	1.1
78.95897	5.5
89.15072	0.9
92.71599	0.9
98.60349	1.1
104.78599	1.0
186.86571	5.2
210.14546	1.1
310.33047	1.0
354.31564	0.9
456.29062	2.7
471.31000	5.9
498.12708	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	534.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72303	0.4
54.10838	0.5
56.11514	0.4
56.77882	0.5
59.01375	3.1
61.98831	2.8
64.57727	0.5
69.20152	2.9
71.01377	2.0
73.02934	0.8
78.95888	1.0
81.32098	0.4
81.95487	0.4
85.02925	0.7
89.02437	1.9
101.02444	2.1
105.92062	0.5
113.02440	0.8
132.50781	0.6
137.92499	0.5
140.93993	0.5
152.99623	0.8
161.04539	1.4
175.46237	0.5
186.86696	0.5
191.00516	0.6
195.29050	0.5
196.89503	0.7
235.08276	3.2
253.09288	13.9
255.23283	100.0
256.23685	2.1
350.27707	0.5
491.32239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98817	3.6
66.62598	0.9
68.56194	0.7
71.01376	2.3
71.12352	0.8
73.02932	1.4
78.95894	4.8
89.02455	2.0
101.02451	2.9
113.02416	1.3
128.33801	0.8
152.99545	3.5
161.04494	0.9
196.89497	3.3
197.89502	1.7
235.08186	3.2
253.09285	12.9
255.23274	100.0
256.23486	1.6
433.23697	1.4
442.98474	0.9
491.31870	1.3
496.07651	1.0
526.19464	0.9
534.16565	1.5
534.38354	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	534.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	38.1
61.98823	53.0
78.95895	87.0
82.41545	20.0
97.59866	20.6
124.27552	21.0
137.06081	81.5
186.86528	84.9
255.23282	55.9
449.32718	100.0
491.33685	91.0
498.12558	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20298	0.6
59.01377	5.9
60.04797	0.6
60.99302	13.5
61.98821	1.3
69.21580	2.0
69.21979	1.4
71.01371	3.2
73.02944	1.1
81.03456	0.6
81.33768	0.6
85.02963	0.8
87.00900	1.1
88.98801	100.0
89.02440	33.8
89.03003	1.2
96.95998	5.8
101.02454	2.0
101.24333	0.6
103.03976	1.3
113.02434	0.7
116.92872	1.2
119.03497	0.7
125.02425	2.8
135.00859	1.7
139.00473	0.6
153.01848	0.7
163.06058	1.0
167.03433	1.2
167.74382	0.6
183.02986	1.2
205.02039	0.7
207.14400	0.6
269.04663	0.6
307.10260	1.2
319.78644	0.6
377.81860	0.6
443.12088	1.2
535.23840	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	535.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02307	2.2
51.13042	2.1
57.03456	4.6
59.01378	61.2
60.99301	3.3
68.50491	2.3
69.03458	7.1
69.53062	8.0
71.01373	24.1
72.99313	4.3
73.02944	11.9
74.77106	2.0
75.16740	2.6
75.89480	2.4
79.01912	3.1
82.95409	3.0
83.01385	2.3
85.02964	13.7
87.00882	4.7
88.98820	30.3
89.02431	19.9
95.01376	2.2
96.96011	100.0
97.02951	6.3
99.00884	2.5
101.02447	17.7
103.04006	11.3
107.01398	8.1
108.02145	2.5
113.02437	5.1
115.92068	4.0
116.92864	22.0
119.03514	10.2
125.02447	33.8
135.00879	23.3
143.03532	2.7
145.05116	3.5
149.06100	2.6
151.00444	2.3
153.01898	3.6
161.02429	3.6
163.06113	12.9
167.03508	12.2
247.08157	2.6
249.06116	2.2
259.06042	7.5
269.04523	6.9
271.95203	2.7
287.05588	2.4
307.10431	15.2
435.84192	2.7
443.11951	6.5
444.11209	2.6
475.14493	4.0
491.11816	7.5
535.11810	3.7
535.20782	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	535.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.00703	1.6
59.01378	100.0
59.87333	1.8
65.16175	1.7
69.03445	3.9
69.27060	4.0
69.27455	6.5
71.01378	65.8
73.02959	11.1
81.03471	2.8
83.01389	6.2
85.02952	11.5
87.00885	3.1
89.02444	76.7
91.01883	9.5
92.00989	1.7
92.02691	3.5
93.03474	10.8
95.01394	3.7
97.02937	7.4
101.02444	47.3
104.15722	1.9
113.02445	25.7
115.51982	1.9
119.01364	4.5
119.03505	40.3
119.04326	4.1
121.02933	11.8
125.02448	32.3
131.03503	8.0
137.02496	12.8
141.01942	2.1
143.03519	11.5
149.04575	2.7
151.04008	83.6
154.57088	1.9
159.49249	2.1
161.04572	13.5
164.02409	1.7
179.05621	25.2
212.85767	2.1
221.06662	24.6
232.99979	2.0
245.06587	4.3
263.07623	8.6
323.09796	62.0
347.30106	1.8
354.89276	2.4
443.11890	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	535.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42903	0.5
58.37651	0.6
59.01379	24.3
61.98833	4.3
69.28349	3.5
71.01382	15.4
72.99303	1.1
73.02946	4.9
74.99089	3.8
75.00874	1.2
83.01373	1.2
85.02952	4.3
87.00871	1.0
89.02441	17.0
93.03470	1.0
98.21814	1.1
101.02448	10.8
104.87157	0.6
109.02969	1.9
111.00849	0.7
113.02445	7.0
118.98082	11.9
119.03502	10.2
121.02936	2.9
123.00854	0.6
123.04510	3.1
123.08183	0.6
125.02459	3.2
131.03535	0.8
135.04533	3.7
137.02452	1.4
143.03513	1.8
145.02942	4.7
149.04585	1.0
149.06064	0.9
152.05986	0.7
153.01939	1.7
159.04549	1.0
161.04555	2.4
162.54634	0.6
165.01924	0.8
167.03484	5.2
179.05569	3.6
192.00641	2.2
193.04930	0.7
205.08635	0.7
207.03032	1.0
209.11751	0.8
210.12189	1.1
211.07607	1.4
223.09689	1.3
225.05530	1.5
225.09299	1.3
225.11258	0.7
235.07558	0.8
237.11349	1.3
238.06325	1.2
239.07135	3.5
249.06087	0.8
252.07854	0.9
253.05086	2.0
253.08720	3.9
253.14467	1.0
263.07153	3.1
264.07895	2.5
265.08649	2.4
266.05811	2.0
266.09259	0.6
267.06607	22.5
268.07404	2.4
278.09180	0.6
279.10272	0.9
280.07352	9.9
280.10458	0.8
281.08264	14.7
282.08807	0.9
295.09708	16.4
296.10522	7.1
311.09271	0.8
311.12863	1.3
312.09988	0.9
322.08508	0.8
323.09067	2.5
325.07294	4.0
331.17371	0.9
340.09503	43.5
341.10016	1.4
355.11844	100.0
356.12091	2.8
373.12759	0.8
449.14658	0.7
475.18423	1.9
491.15790	1.9
493.22394	1.0
535.18115	5.0
535.24854	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	535.1818
Annotation	Phellavin
Peak:m/z	Relative Intensity
52.77277	0.9
54.67394	1.0
57.03442	1.8
57.67293	0.9
59.01379	46.7
61.98829	11.7
69.40958	4.3
71.01389	7.7
73.02941	5.4
79.81508	0.9
82.95428	1.2
83.01377	1.8
85.02956	3.3
87.00873	1.5
88.98782	2.2
89.02441	3.5
90.53384	0.9
91.06865	0.9
95.36622	0.9
96.96012	1.3
99.00880	1.7
101.02420	5.1
108.02162	1.3
109.02955	1.5
113.02457	4.3
121.02940	11.4
123.04504	2.9
125.02425	4.9
135.04497	1.2
145.02907	1.9
145.24544	1.2
147.04539	1.6
149.04541	1.5
149.54938	1.1
153.01897	1.5
159.03113	1.2
161.02357	1.5
161.04591	1.2
165.09053	1.1
175.07655	1.4
181.05028	1.3
193.01459	1.1
194.05905	1.2
207.02959	1.2
209.08101	1.7
223.13339	2.1
224.13695	3.4
237.05630	1.2
237.07744	1.1
239.07184	1.6
241.05136	1.1
253.08719	2.9
255.06599	4.4
263.07162	1.3
264.08075	1.1
265.08640	1.4
267.06589	10.9
268.07373	3.6
269.08188	20.9
270.08990	1.4
280.07333	3.0
281.08206	6.5
283.09756	9.2
284.10461	3.8
287.15033	3.6
295.09753	6.3
296.10486	3.1
297.11258	1.5
299.12750	1.3
311.09283	15.9
311.12866	0.9
312.09702	1.0
313.10947	1.1
318.07062	1.2
323.09204	1.1
325.07239	1.4
325.10837	1.9
328.09531	6.1
340.05640	2.0
340.09470	24.5
343.11838	100.0
344.12015	2.8
355.11850	65.8
356.12027	1.7
360.15573	1.2
373.12936	22.1
415.23364	3.1
475.25964	1.6
492.19507	3.2
497.09253	2.1
535.17755	9.8
535.25439	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	535.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43835	0.8
59.01369	8.9
61.98823	6.7
69.57095	1.6
69.57461	1.6
71.01391	5.3
73.02919	2.4
75.00854	1.3
76.84502	0.9
80.87163	0.8
81.03438	0.9
83.01356	1.0
84.95110	0.9
85.02917	3.1
87.00834	3.8
88.98761	2.3
89.02412	2.4
95.01339	0.9
101.02406	2.9
107.01369	1.0
107.33288	0.9
108.02132	1.2
109.02223	1.9
109.02941	29.6
113.02380	2.6
114.71348	1.0
116.92809	1.6
121.02945	5.4
123.00879	1.0
123.04491	1.2
124.01630	1.3
124.66788	0.8
125.02386	2.6
129.03355	0.9
135.04494	1.6
136.05252	2.5
137.02425	2.6
149.06018	1.8
152.01077	1.0
153.01923	40.6
161.09639	1.7
163.03949	1.1
163.07610	1.5
167.03429	1.7
178.09854	2.5
181.04994	1.0
183.02824	1.0
189.05356	0.8
195.02962	2.1
204.07794	3.3
205.08559	3.2
207.06580	1.3
207.10175	1.5
219.10248	11.8
237.11308	91.0
238.11603	1.1
255.04875	0.9
297.06161	13.2
326.24362	0.8
328.13281	0.9
335.22134	1.5
348.53909	1.1
368.17886	1.0
386.18109	0.9
388.15421	5.3
399.16553	16.4
403.17526	9.1
441.42520	1.0
514.32495	0.9
535.17999	100.0
536.18445	5.4
549.94415	0.8
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
55.01888	0.9
57.03461	1.3
59.01374	8.7
59.01643	0.5
61.98825	3.0
66.66590	0.5
71.01381	4.6
71.05051	0.8
73.02977	1.7
75.00900	0.7
75.55042	0.5
78.91907	1.3
79.05553	1.2
83.01427	0.9
85.02982	2.2
87.00897	0.9
89.02444	3.3
89.56633	0.4
95.05013	0.6
97.02950	0.6
98.22591	1.6
99.00924	0.6
101.02450	4.1
103.87563	0.5
107.05059	0.8
109.02969	0.5
111.00920	1.1
113.02465	2.1
118.98042	0.5
119.03511	1.1
121.02952	0.6
123.04523	46.4
123.08157	2.8
125.02432	6.7
132.99686	0.5
135.04506	0.7
137.02469	0.7
137.06119	0.7
137.09753	1.4
145.58794	0.5
149.06004	0.6
151.00670	1.1
151.03999	2.0
152.01193	0.6
161.02438	3.2
161.04604	1.2
161.06000	0.6
161.09734	5.6
163.07649	1.3
167.03493	100.0
168.03857	1.1
177.05629	0.6
179.10814	2.5
181.05084	1.0
181.06830	0.4
191.03513	4.6
205.05019	1.1
205.08678	6.5
209.04561	3.0
213.26196	0.5
223.09743	15.1
233.65817	0.6
243.47586	0.5
247.09663	0.6
287.05545	1.8
311.07687	7.7
331.17255	0.9
340.09326	0.9
355.11633	2.0
358.13898	2.3
367.09891	1.1
367.14084	0.7
373.16425	3.0
475.21912	0.6
493.22729	1.2
535.17822	63.3
536.18567	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01555	1.4
54.12749	1.2
55.01859	1.6
55.40576	1.4
57.02819	1.2
57.03430	3.0
58.51176	1.1
59.01118	1.4
59.01376	21.7
61.98834	6.6
61.99085	1.2
64.12161	1.2
71.01386	13.9
71.43628	1.4
73.02917	4.5
81.03433	3.4
82.95385	5.2
83.01369	4.8
84.95091	2.3
85.02927	5.2
89.02415	5.1
91.01864	3.8
93.03465	1.6
93.23235	1.3
95.01331	1.3
95.05016	1.4
99.00812	1.3
101.02451	10.2
105.07092	1.8
107.01358	3.5
107.04997	2.6
108.02180	6.4
109.02957	6.1
111.00850	2.7
113.02460	8.0
118.98031	1.8
121.02897	5.5
122.03698	1.6
123.00842	1.8
123.04523	20.3
123.08168	10.3
124.01667	1.8
125.02441	18.2
125.06074	1.5
126.02718	1.8
135.11798	1.5
136.05251	1.8
137.02448	9.0
137.09692	5.8
139.03973	5.8
149.06003	1.4
151.00381	9.6
151.04016	8.6
151.71597	1.5
152.01176	12.2
153.01918	11.8
161.04613	1.5
161.09718	22.3
163.07587	5.9
165.01869	5.8
166.02652	3.5
167.03496	65.3
169.05000	5.7
175.00293	1.9
178.99831	2.7
179.03395	3.5
179.10767	9.5
180.00174	2.6
189.05415	1.3
191.03365	1.8
193.01404	9.9
193.04968	1.6
194.01779	7.9
205.04858	1.3
205.06888	1.3
205.08693	23.6
223.09743	63.8
224.09924	1.7
237.11217	2.1
271.06036	3.4
296.05490	7.1
297.06122	4.1
301.35690	1.5
302.03760	2.2
311.07712	100.0
319.04407	5.1
320.04892	12.0
355.10641	3.6
367.13806	4.2
385.15195	13.1
415.14996	1.6
442.71402	1.7
459.22351	2.8
472.05585	1.6
497.20178	2.8
533.46063	1.3
535.17908	77.5
536.18286	3.4
555.46252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
57.03436	1.6
57.37976	1.0
59.01377	36.9
61.41961	1.0
61.98827	30.7
62.55949	0.9
69.26208	3.3
69.26611	2.2
71.01012	1.4
71.01379	22.2
73.02948	8.8
83.01380	6.5
85.02944	12.4
85.14813	0.9
87.00855	3.0
88.98829	1.8
89.02442	8.9
90.33495	0.9
93.03460	1.5
95.01344	2.7
99.00853	2.9
101.02445	17.2
108.02192	1.3
109.02946	7.9
111.00862	1.1
112.10999	1.1
113.02447	9.2
116.92859	1.2
119.03479	3.9
121.02948	19.6
122.03719	1.9
125.02414	3.7
125.37216	1.1
135.04565	6.7
137.02454	0.9
149.02432	1.5
149.06154	1.1
151.00391	1.3
152.01151	1.3
153.01889	4.7
161.04541	4.0
163.04037	5.9
164.04851	1.2
167.03491	2.1
193.01378	1.0
223.06224	1.2
237.14590	1.0
241.08583	2.0
249.06227	0.9
297.06091	2.1
297.11276	1.4
311.07639	1.7
318.46576	1.0
331.08133	1.7
331.15314	1.5
358.14188	28.4
359.14764	1.8
371.15164	1.1
373.16519	49.1
374.16681	1.4
381.34531	1.1
475.21881	1.8
480.62494	1.1
535.21771	100.0
536.22070	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	535.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.94820	0.7
57.03435	0.9
58.00587	0.9
59.01378	69.1
69.03448	2.5
69.30598	3.1
71.01376	18.5
72.99267	0.9
73.02557	1.1
73.02947	16.4
81.03445	1.5
83.01377	1.8
85.02953	8.6
87.00868	3.3
87.04506	1.0
89.02448	17.3
97.02926	4.2
98.03743	1.6
99.04515	1.6
101.02441	23.8
103.04002	21.1
115.04008	2.4
116.18285	0.7
119.03487	9.0
125.02449	18.0
126.02982	0.8
127.04008	1.7
131.03484	2.3
139.57695	0.8
143.03462	4.4
145.05061	3.8
163.06126	30.4
167.10767	100.0
168.11105	2.2
177.42516	0.8
205.07143	4.3
247.08186	3.6
289.09283	0.9
307.10339	19.4
475.21817	3.2
479.61646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.8
59.01375	46.0
61.98836	1.9
69.03477	1.0
70.97918	1.0
71.01379	12.7
72.99298	0.9
73.02943	11.8
75.12852	0.8
81.03469	1.4
83.01387	1.6
85.02959	4.6
85.99521	0.8
87.00883	3.4
89.02446	11.0
93.03422	0.8
97.02935	2.4
99.00896	0.9
101.02435	18.2
103.04008	13.1
109.02986	0.9
112.22569	0.8
113.02405	1.3
115.04002	1.6
119.03502	7.0
125.02447	11.8
127.04028	1.0
131.03514	1.0
137.02419	2.7
143.03499	3.1
145.05095	1.9
149.06075	2.5
153.01926	0.9
163.06123	21.3
163.07504	1.3
167.10767	100.0
168.11139	2.1
169.01363	1.5
175.07603	2.3
205.07159	3.7
235.06148	1.8
237.07631	1.4
247.08157	2.9
252.52692	0.9
289.09308	1.5
307.10324	11.5
355.11465	0.9
475.21747	3.4
517.23871	0.9
535.25238	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.5
59.01072	3.4
59.01376	61.3
60.99304	16.6
61.98831	63.0
69.03479	2.2
69.24670	6.9
69.25076	6.5
69.28365	2.0
71.01380	49.5
73.02946	10.6
73.58662	2.4
82.95425	3.4
83.01392	6.6
85.02943	18.7
87.00866	14.8
88.98804	100.0
89.02440	73.3
89.10931	2.1
95.01418	4.4
99.00872	6.1
101.02440	36.5
108.02180	2.2
109.02956	6.8
113.02441	19.6
116.92857	3.7
118.98083	7.2
119.03509	12.6
119.28516	2.2
123.00911	3.5
124.01642	2.8
125.02457	27.5
131.03487	11.8
136.05249	2.7
143.03485	5.0
148.66035	2.3
149.05994	3.3
151.07616	3.5
153.01967	4.1
161.02492	5.3
161.04565	16.4
167.03461	3.5
169.01411	7.9
179.05595	42.9
221.06657	40.4
223.13393	11.0
224.13823	16.0
263.07684	21.2
264.17123	2.3
280.22141	2.4
297.06030	2.8
313.05682	3.3
337.20245	12.5
361.22021	2.5
471.24329	2.6
475.21777	16.6
499.25333	6.5
535.17163	15.4
535.31207	7.1
545.49774	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	535.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99593	1.9
55.12284	1.9
58.33903	2.2
59.01369	9.8
59.62619	2.0
61.20656	2.0
61.98823	4.7
69.17059	10.9
71.01359	4.9
73.02984	2.8
89.02441	5.9
91.85525	2.1
96.96045	2.4
98.07466	2.3
101.02430	2.6
103.12276	2.1
104.93896	1.9
120.66310	2.1
125.02433	9.9
161.02441	3.5
182.66992	2.2
211.11246	17.9
249.15105	2.4
252.17639	2.1
260.61197	2.1
337.23831	100.0
362.26901	2.3
535.26093	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	535.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93363	3.5
56.72213	3.9
59.50165	3.7
76.27464	3.4
83.37743	3.4
283.21609	3.9
329.24741	17.4
333.20764	5.2
340.71283	4.5
357.24323	100.0
368.35364	3.9
372.26718	24.5
385.23883	5.7
387.28937	64.3
400.26013	7.3
415.28555	33.9
452.27527	6.0
459.27457	10.4
463.30664	8.5
535.26556	4.8
558.99561	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	535.3122
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01879	1.2
57.03450	1.2
59.01378	51.8
61.98823	2.7
64.46703	0.4
69.03458	0.4
69.30910	1.7
71.01382	9.6
73.02942	5.4
81.74204	0.4
83.01386	2.6
84.95150	0.4
85.02949	6.9
87.00889	1.6
88.98827	0.7
89.02441	2.4
91.07942	0.4
94.30585	0.4
95.01390	0.9
96.96006	1.2
97.06618	0.6
98.21856	0.8
99.00889	1.9
101.02447	10.7
109.42946	0.4
111.00850	1.1
113.02457	4.3
116.92851	0.9
119.03550	0.7
123.04518	0.6
123.08172	1.4
125.02456	1.8
129.01962	0.7
137.02490	0.5
141.01959	0.7
141.09225	0.5
159.03021	0.8
161.04558	0.9
163.06177	0.6
163.07602	0.5
167.03477	0.5
167.10770	5.5
178.82751	0.5
199.13414	1.5
207.06551	3.1
211.13402	0.9
251.16666	0.5
269.17599	0.6
277.21640	2.3
287.18646	1.3
295.22830	1.0
331.24814	0.5
337.20157	0.5
355.24710	0.4
362.19382	0.8
373.25909	1.8
434.87704	0.5
439.26929	1.7
457.28040	2.8
475.21951	0.8
475.29190	3.3
493.29901	0.9
517.23444	0.5
517.30212	1.9
535.31226	100.0
536.31610	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	536.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42771	1.6
55.30931	1.8
57.03442	17.1
57.72353	1.7
58.38889	2.0
59.01376	72.4
61.98826	12.3
69.62589	3.3
69.62942	5.6
71.01380	24.0
72.99277	2.7
73.02944	16.9
75.00874	2.2
81.03487	2.2
83.01403	2.3
85.02957	12.4
87.00864	5.1
89.02447	17.8
91.75507	2.0
95.01384	2.7
97.02937	2.1
99.00823	3.1
101.02441	32.7
102.28336	2.1
103.04005	21.6
112.11716	2.0
113.02448	10.4
115.03947	3.0
119.03518	12.2
123.00935	2.0
125.02432	19.8
125.09724	4.5
127.04013	2.3
131.03485	2.7
136.66669	1.7
143.03534	2.9
145.05060	4.6
163.06122	44.0
185.11833	100.0
191.98601	1.9
205.07138	7.1
209.11891	3.8
247.08200	4.0
267.07285	3.2
271.02478	2.8
288.02600	2.2
307.10321	32.4
352.23026	1.9
464.08990	3.6
493.22647	14.9
498.09793	3.5
536.21088	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05855	0.3
59.55242	0.3
61.98829	100.0
68.77670	0.4
69.93918	0.7
74.56133	0.3
82.26926	0.4
83.34066	0.3
93.16443	0.4
109.02960	0.6
115.26007	0.3
123.36422	0.4
129.76131	0.4
151.03940	0.4
255.23395	0.6
265.14630	0.5
273.31879	0.4
281.25027	0.6
458.26718	3.0
468.99249	0.4
473.29034	8.6
473.35361	0.6
475.02121	0.4
480.31284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
77.21369	1.1
81.39946	1.3
84.67231	1.1
92.60200	1.2
94.33699	1.1
108.02231	1.9
109.02913	1.3
115.44128	1.3
116.45667	1.2
123.00838	1.2
124.01666	4.3
137.02400	3.9
137.96608	1.4
151.03983	2.1
174.22549	1.0
194.31483	1.3
201.65218	1.1
259.54993	1.2
297.34677	1.2
403.36526	1.4
443.24368	5.2
458.26645	23.3
459.27597	1.4
473.29059	56.4
474.29285	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0827
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
59.01376	2.7
61.98836	2.1
63.02385	1.0
65.00333	1.7
71.01407	0.6
83.01395	1.2
93.03455	3.2
98.49969	0.5
99.93271	0.5
104.10017	0.5
107.01399	2.2
117.03465	10.6
125.02458	1.5
149.02544	0.6
151.00372	3.0
159.04498	6.0
161.02434	0.8
169.01479	1.6
179.05162	1.2
203.03506	1.7
212.99042	0.5
221.06055	0.9
223.04001	1.9
233.90398	0.5
240.61014	0.6
255.01410	0.5
261.05588	0.6
263.07217	0.7
270.80200	0.6
277.04898	0.8
287.07172	0.6
305.04535	4.7
307.06097	8.9
309.04102	1.5
319.06042	0.5
329.04562	0.8
330.05313	0.7
331.06100	24.1
331.10107	1.2
332.06506	1.0
333.04019	4.9
333.20676	2.6
343.06094	2.2
347.05542	1.0
357.03888	2.3
362.98981	0.6
370.41043	0.7
373.07291	1.1
375.05063	69.2
376.05310	1.7
398.04218	0.7
399.05118	14.7
401.02994	3.4
417.06107	17.5
418.06488	0.8
443.04059	5.3
444.04437	0.7
483.17474	0.5
537.08246	100.0
538.08490	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	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63653	0.7
59.01370	5.9
60.99009	1.1
60.99302	14.6
63.36917	0.7
65.00325	0.9
69.12713	5.1
71.01383	1.6
74.42538	0.7
78.03189	0.8
83.01417	0.8
83.52361	0.8
85.02982	0.9
88.98802	100.0
101.02467	1.1
107.01363	1.0
107.93869	0.7
109.02950	1.5
113.02453	1.0
121.02941	1.1
121.71606	0.8
151.00348	6.3
153.01944	1.2
163.00452	1.8
178.99870	3.1
181.12265	0.9
182.12860	0.8
192.00743	1.1
194.90790	0.8
243.02957	2.9
245.04472	0.9
254.02101	0.9
255.02956	10.4
271.02466	16.7
272.03073	0.9
283.02362	1.0
300.02731	39.6
301.03482	27.2
302.03659	0.9
327.07043	0.8
389.46985	0.9
432.19589	2.5
433.19754	1.4
447.09283	60.8
448.09863	2.2
536.20764	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	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	11.6
61.98818	2.8
65.03968	1.6
67.01876	1.3
69.03471	0.7
71.01370	3.9
71.44245	0.9
72.99305	0.8
73.02937	1.3
73.61774	0.5
76.09058	0.5
78.12361	0.6
83.01409	1.5
85.02940	1.5
85.27613	0.5
88.98815	0.6
89.02445	2.3
93.03448	4.1
95.01370	3.9
95.05029	2.1
97.02954	1.7
99.00906	0.8
101.02428	1.9
109.02943	3.6
111.00880	18.9
113.02454	1.5
121.02953	12.0
123.00883	35.9
124.01676	2.2
125.02468	2.3
136.98845	0.7
137.02441	13.1
139.04010	7.0
146.91905	0.6
153.01926	0.9
161.02361	0.8
162.03198	1.2
164.01167	1.0
165.01921	100.0
166.02530	2.2
168.00679	1.6
169.01353	0.7
173.83203	0.7
177.01978	0.9
178.02728	0.8
181.12299	0.6
183.02991	7.7
183.10364	0.6
189.01895	0.6
190.02711	2.8
192.00636	19.8
193.01404	7.8
194.02180	3.4
195.02974	0.9
205.01434	1.7
206.02170	1.7
207.02983	10.2
222.01662	2.0
227.05573	1.2
234.01683	7.1
237.03967	0.9
241.05077	0.8
243.06474	0.7
243.12419	1.2
249.04036	3.3
284.44110	0.7
295.09583	0.6
309.06229	0.7
312.04904	4.8
313.10880	0.8
327.07162	14.8
341.13892	1.2
344.12714	2.6
359.15042	6.1
463.08795	1.3
484.61838	0.6
491.19159	15.6
493.09930	10.2
537.08679	55.6
537.21918	3.8
538.08960	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16073	1.3
54.09014	1.4
57.03445	7.3
59.01381	22.6
60.99296	1.7
61.98830	27.5
71.01383	15.8
71.45321	1.3
72.01745	1.3
72.99303	1.7
73.02949	8.1
81.03448	2.2
82.95408	2.6
83.01366	4.3
84.95120	5.6
85.02939	7.7
87.00854	1.3
88.98803	15.2
89.02445	6.3
93.03461	72.6
95.01382	2.6
96.96015	4.8
99.00875	2.4
101.02448	11.3
105.03471	1.4
105.07127	1.7
108.02174	32.8
109.02955	26.5
113.02428	7.8
119.03504	2.0
121.02939	9.4
123.00837	1.9
123.04508	3.4
124.01654	2.7
125.02448	45.8
137.02444	100.0
141.01665	1.8
147.04523	2.6
147.07156	1.2
149.06059	12.5
151.04086	2.3
151.07689	2.0
152.01154	78.1
153.01935	23.4
161.02444	15.9
161.04553	5.0
161.05887	1.8
163.04015	1.9
163.07639	1.6
165.05556	4.9
167.03540	6.0
169.01437	6.5
175.07654	10.7
177.01852	2.0
177.05531	3.1
179.03404	1.7
179.07135	3.0
191.03513	2.7
193.05069	2.0
193.35103	1.5
205.05067	1.5
206.52234	1.4
207.10214	1.7
219.06627	2.8
237.07671	3.8
239.05608	3.4
239.12859	5.0
247.65131	1.3
287.05637	11.1
297.06210	7.0
299.07593	6.7
307.15387	2.0
312.13757	1.3
339.21729	1.7
360.15710	4.6
375.17993	17.1
381.08365	1.4
399.09308	82.1
400.09784	1.8
412.15808	3.5
417.10504	3.1
456.16434	2.4
472.98398	1.3
477.23557	4.1
500.82922	1.5
537.12408	44.4
537.19806	17.1
537.24097	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	537.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03443	0.8
57.04094	0.5
59.01385	6.8
60.99298	0.7
61.98816	0.7
69.03455	1.0
69.44174	2.5
71.01377	4.1
72.99318	1.0
73.02945	0.9
74.30838	0.6
82.55042	0.4
83.01406	1.3
83.75241	0.4
85.02963	1.8
87.00845	0.5
88.98802	5.0
89.02447	1.8
93.59840	0.5
95.01342	1.1
97.02945	0.7
101.02441	1.2
107.01395	0.7
108.02193	0.7
109.02968	1.4
111.00880	0.6
113.02461	1.3
121.02954	10.6
123.00894	11.0
124.01661	28.5
125.02450	14.0
137.02431	0.8
149.99583	40.0
151.00363	2.6
153.01949	1.1
162.03259	0.9
163.03954	1.2
165.01894	2.0
165.09239	1.0
167.03474	0.6
168.00641	95.2
169.01389	6.2
174.61914	0.5
177.01851	0.6
179.03578	0.8
192.00726	1.1
198.69038	0.7
207.02867	0.8
209.08252	0.9
209.11859	3.5
211.02380	1.0
227.12929	0.6
239.05550	1.4
248.71614	0.5
271.04929	0.5
276.11255	0.5
301.05707	3.2
327.07413	0.8
344.12579	1.1
353.55249	0.7
359.14923	2.6
415.08588	1.7
491.19202	5.6
493.24677	0.6
519.10272	0.6
537.12494	100.0
537.32867	1.9
538.12708	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	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
59.01379	26.8
61.98830	14.3
62.32999	1.0
71.01382	21.4
72.99304	4.8
73.02941	9.6
82.95418	1.5
83.01366	4.7
85.02957	9.4
87.00883	2.3
88.98799	4.9
89.02430	6.1
93.03448	2.3
95.01394	2.4
95.05029	3.0
97.02894	1.1
98.21882	2.2
99.00887	2.6
101.02432	16.8
105.07091	15.5
107.01399	3.5
107.05022	1.2
109.02940	3.0
109.06601	4.2
113.02439	9.9
119.03530	1.3
119.04992	2.0
121.02990	5.6
123.00884	7.5
123.04541	2.4
124.01677	3.6
125.02440	17.9
131.03485	1.1
131.08698	1.0
134.03722	3.6
135.04515	3.5
136.05229	1.2
137.02463	1.9
137.06096	1.4
139.00371	2.1
139.03995	1.9
141.01917	1.6
147.08156	1.1
149.06081	100.0
151.00313	4.5
151.07639	18.1
153.01924	2.1
153.05580	1.4
159.02968	1.5
160.05315	8.3
161.02454	1.2
161.04561	5.6
161.06061	4.6
163.07625	6.1
165.01967	4.6
165.09212	2.6
167.03490	2.4
169.01424	22.0
173.06081	8.0
175.07634	81.4
177.01993	1.1
177.05574	2.1
179.05562	1.5
181.01405	2.6
187.07611	10.6
189.05556	2.4
190.06363	1.1
191.07187	3.0
193.08699	8.6
195.06705	5.1
196.03767	2.2
197.04587	2.1
205.08691	6.5
207.06642	2.4
217.08669	2.1
219.06639	14.0
223.09763	3.9
223.13309	5.4
224.03259	1.8
235.06114	1.1
237.07668	50.5
239.05615	6.3
249.07770	1.3
267.08722	27.1
267.11401	1.9
279.08563	1.1
313.05661	5.0
315.18076	3.7
333.13318	1.9
388.18951	1.5
390.21231	1.8
471.24081	16.3
471.74634	4.9
477.17862	1.3
477.23447	17.6
493.15112	2.4
495.18912	4.3
536.30731	1.1
537.19739	40.0
537.26379	13.1
537.76471	4.0
538.25690	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	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35454	0.9
54.72938	0.9
55.01883	3.3
57.03451	3.0
59.01379	25.7
61.98830	3.4
69.56842	0.9
70.67719	1.8
71.01376	16.8
72.99310	1.3
73.02950	5.9
81.03465	1.9
82.10689	1.1
83.01381	4.9
85.02942	7.1
87.00900	2.1
88.98804	3.7
89.02441	8.5
93.03437	7.5
95.01392	2.1
95.05033	3.0
96.96004	4.4
97.02943	1.2
99.00876	1.5
101.02434	10.3
101.39307	1.1
102.02826	1.0
105.07104	19.5
108.02189	3.9
109.02936	7.6
109.06570	3.2
113.02471	7.2
119.03490	3.2
119.05025	2.2
121.02958	16.8
122.03783	2.0
123.00888	2.9
123.04536	2.5
125.02456	8.7
133.06636	1.2
134.03722	2.4
135.04514	1.1
136.05280	1.3
137.02448	13.5
137.06064	2.6
138.03221	1.6
147.04506	2.2
149.06081	100.0
150.06471	1.3
151.03918	1.5
151.07637	14.7
152.01157	7.3
153.01941	5.0
153.05563	2.0
160.05290	9.9
161.04684	2.0
161.06084	4.5
163.07629	4.3
165.01953	3.3
165.05565	9.3
165.09166	2.3
166.99901	2.8
167.03453	1.4
169.01378	2.9
173.06116	9.9
175.07635	84.5
176.07983	1.4
177.05542	2.3
179.05637	1.1
179.07133	3.6
181.01433	5.2
182.02301	5.3
183.03020	1.9
187.07663	9.5
189.05565	1.9
191.03493	3.1
191.07181	3.3
193.05009	1.1
193.08723	8.3
195.02994	1.7
195.06540	2.1
196.03772	3.0
197.04550	9.2
205.08675	6.1
207.10136	1.1
217.08659	1.9
219.06602	15.2
223.09724	2.5
224.03334	4.1
225.04012	3.7
237.07672	38.7
239.05612	13.7
249.04111	1.4
249.07654	1.7
267.08707	14.3
269.06735	1.3
275.65588	1.0
279.08664	1.2
284.05389	1.3
297.06186	1.3
299.07715	57.0
300.08096	2.0
307.15564	2.2
339.22128	1.3
360.15674	6.5
375.18051	27.6
399.09521	6.8
399.14011	1.0
402.77167	1.1
412.15662	3.0
477.23206	4.7
493.18332	1.3
537.12433	4.2
537.23468	33.5
538.23608	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	537.1976
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
52.89185	0.5
55.20798	0.6
57.03440	2.8
59.01089	0.5
59.01372	12.0
59.01654	1.1
67.01849	1.0
69.03458	1.1
71.01381	5.8
72.99339	0.8
73.02943	2.6
75.80860	0.6
78.01100	0.8
79.01911	0.7
80.91682	1.5
81.03445	0.7
81.27924	0.7
83.01399	1.6
85.02959	3.6
87.00881	1.1
88.98811	3.9
89.02435	2.6
95.01379	1.9
97.02925	1.1
99.00898	0.8
101.02467	3.3
107.01382	6.5
108.44667	0.6
109.02941	1.8
111.00879	2.8
113.02473	2.2
113.06072	0.9
119.03419	1.0
121.02956	1.6
122.99977	0.9
123.00877	17.5
123.01727	1.1
124.01653	20.0
125.02445	38.5
125.09697	0.6
127.00411	1.1
136.98824	1.5
137.02409	1.4
137.09726	0.8
139.00368	4.0
139.04031	1.2
140.01161	3.5
141.01949	2.4
145.41321	0.7
149.99507	1.2
151.00371	6.8
153.01906	1.5
153.09221	1.4
161.02455	0.8
161.04596	0.9
165.01997	3.4
165.09262	1.4
167.03508	1.3
168.00645	17.6
169.01422	55.7
173.39748	0.6
177.04019	0.9
183.03152	1.0
187.11238	1.4
192.00673	2.0
193.01401	2.0
205.12332	1.9
208.11214	1.0
211.02473	47.9
212.02763	0.9
223.13350	1.2
241.03510	1.8
271.04581	90.3
272.04822	1.0
297.06082	1.1
313.05664	2.8
331.06711	12.7
345.13794	0.9
463.08575	1.6
463.14847	0.7
477.23724	1.1
491.19189	0.8
493.24875	1.0
495.24194	0.8
537.19757	100.0
538.20258	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	537.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.8
61.98823	6.9
63.96021	2.6
69.03457	3.0
69.44926	2.9
71.01373	27.3
71.46612	2.7
73.02966	2.8
76.58909	2.5
77.93027	2.5
89.02443	36.3
94.14197	2.3
97.02959	3.8
99.00885	7.8
99.04531	3.9
101.02445	3.9
113.02454	3.7
115.02259	2.9
115.04028	5.7
125.02433	26.7
131.03500	5.2
133.84558	2.5
149.04553	7.3
166.34154	3.0
191.05629	6.6
207.13907	7.8
233.06683	18.1
293.08771	100.0
337.23920	3.1
375.05063	3.3
409.29889	2.7
499.29224	12.1
501.23282	21.6
501.29526	3.6
537.20612	46.6
537.27271	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	537.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	34.6
61.98810	11.0
64.78278	11.1
67.48739	9.9
69.14778	20.5
69.15197	55.8
73.02941	15.8
75.32776	10.0
77.08070	11.1
78.67367	12.1
98.22679	19.0
101.96934	12.2
125.02417	21.0
194.33504	11.2
222.22563	11.6
228.95633	11.1
231.74818	11.8
337.23697	37.2
338.24060	16.9
390.58685	15.0
488.21048	11.8
493.28290	18.2
519.25500	20.5
537.20764	34.1
537.27600	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	537.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.2
60.99306	12.7
61.98817	3.1
62.29893	0.5
69.21030	2.5
69.21432	1.0
71.01378	2.5
81.03444	0.9
85.02943	2.2
87.00872	1.6
88.98804	100.0
89.02441	30.5
89.03008	0.9
93.03464	7.0
98.21793	1.0
99.00876	0.7
101.02414	1.2
113.02453	1.1
116.79490	0.6
119.14988	0.6
123.04501	4.1
125.02434	2.8
137.02446	16.6
137.06079	0.7
147.08176	1.4
161.04474	0.6
165.05592	1.7
167.03458	2.7
169.01527	0.8
177.05569	0.7
191.07210	1.7
207.10254	1.1
209.08195	2.0
249.06082	1.5
265.24081	0.6
293.08716	2.7
371.94754	0.6
399.09357	2.5
447.22418	1.4
498.70996	0.7
502.13446	0.6
537.12079	2.5
537.18231	2.9
537.32751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48811	0.9
57.03441	2.3
59.01376	48.8
61.98822	1.3
68.99799	2.2
71.01382	14.6
72.99305	3.1
73.02953	4.2
73.87901	0.8
75.00872	9.5
83.01359	1.2
84.95120	2.9
85.02952	12.3
87.00887	4.1
87.52803	0.8
89.02436	5.1
93.03466	1.1
94.98081	2.4
95.01398	2.7
96.96001	1.0
99.00883	5.4
101.02425	4.3
101.80425	1.0
103.00380	1.4
107.01400	1.7
109.02940	2.1
111.00900	1.6
113.02458	14.2
115.00352	1.2
117.01925	1.5
121.03008	1.7
123.00867	3.8
124.01637	5.1
125.02441	10.9
129.01950	1.2
131.03561	1.0
135.04512	0.9
139.00406	1.4
140.87090	0.8
143.03586	1.5
145.66759	0.9
151.00330	1.6
152.38760	0.9
153.01933	2.3
161.04535	0.9
163.06123	1.8
165.02000	1.8
167.03520	1.1
168.00636	4.6
169.01418	13.5
169.41306	0.9
175.02582	1.4
205.07095	1.5
207.13837	1.3
209.11841	3.4
211.02441	13.7
225.14981	1.1
227.12843	6.3
249.06163	10.9
259.42245	0.9
267.07220	6.8
269.13858	1.8
271.04568	24.6
271.09549	2.0
283.09827	1.0
287.15070	2.9
292.43619	1.0
309.08267	2.4
313.05591	1.1
331.06763	4.2
345.13556	1.3
350.45624	0.9
356.35907	0.9
361.18414	1.2
375.14481	11.4
449.24319	1.5
477.23810	2.4
493.23734	1.0
501.19412	1.1
519.21002	4.5
537.21643	100.0
538.21625	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	537.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.6
60.99302	14.0
64.21442	0.5
71.01373	0.8
78.98778	0.3
87.00880	2.1
88.00394	1.0
88.04051	0.7
88.98804	100.0
89.02441	68.6
101.02467	0.5
125.02454	0.5
148.91003	0.4
199.64143	0.4
405.07870	0.6
537.11707	1.2
538.26239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57638	0.8
59.01377	17.8
60.99318	1.6
61.98827	13.1
71.01371	5.2
73.02940	1.2
74.58133	0.9
78.91885	1.3
81.03453	13.8
88.98805	16.0
89.02436	8.9
92.04555	1.0
101.02448	2.3
105.07095	1.2
113.02441	1.7
123.00881	2.0
124.01642	2.0
125.02429	9.1
136.05247	1.5
137.02502	1.3
137.06085	52.2
139.11317	2.2
147.08160	100.0
148.08466	1.0
149.06075	16.9
151.00397	1.2
151.03989	1.0
151.07616	1.6
153.01936	1.0
165.09203	2.6
168.00542	1.0
169.01422	5.9
169.06590	4.0
183.02997	2.7
183.10248	5.5
191.07133	73.4
192.07574	1.5
197.04491	1.2
207.10243	4.3
209.08182	65.3
210.08565	1.7
233.08174	1.2
236.84921	0.9
293.08664	2.0
313.05585	1.1
327.07111	1.4
353.12405	5.3
371.13458	12.7
447.63196	1.1
508.57761	1.0
537.24127	41.9
537.32581	5.6
538.23804	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03442	1.9
58.99887	1.2
59.01377	100.0
61.98825	2.4
63.20660	1.0
69.03453	3.0
71.01379	45.7
71.43991	1.0
72.99321	2.7
73.02942	26.2
75.00865	2.7
81.03446	2.0
83.01390	11.3
83.12510	1.2
85.02952	19.1
87.00892	4.1
87.04522	2.2
89.02438	25.5
95.01351	2.8
96.96034	1.5
97.02936	2.8
99.00876	3.5
99.04528	1.2
101.02442	43.1
102.23317	1.2
103.03999	10.9
108.02216	1.4
109.02937	1.1
109.82191	1.0
113.02451	15.0
113.67776	1.1
115.04021	5.2
119.03490	10.3
125.02438	13.7
131.03497	3.7
137.02403	1.9
139.03920	1.0
143.03496	7.3
145.05045	2.6
152.01199	1.4
159.03006	2.3
161.04559	15.6
163.06131	28.6
169.01419	3.6
177.01915	1.4
179.05569	3.7
183.10289	2.6
186.04190	1.3
205.07199	11.5
247.08047	1.3
265.09283	2.3
296.29117	1.2
307.10492	2.4
331.17603	21.6
375.15005	3.5
433.24335	3.7
477.23389	93.7
478.23718	4.3
537.25281	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	537.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03429	2.0
58.56110	0.7
59.01380	23.4
61.98828	8.4
69.03461	0.9
70.30112	1.4
71.01381	34.7
72.99290	0.5
73.02942	14.1
74.46406	0.6
75.00854	1.1
81.03472	0.6
83.01383	6.3
85.02453	1.3
85.02950	18.8
87.00871	1.4
88.98780	1.1
89.02442	7.6
95.01393	3.4
96.96017	1.6
97.02940	1.5
99.00885	5.1
100.14832	0.6
101.02446	34.5
102.81786	0.5
107.80083	0.5
113.02448	15.4
119.03493	2.4
125.01556	0.6
125.02418	2.5
129.01910	0.7
134.03773	3.4
135.04498	2.1
143.03482	2.3
149.06088	1.3
159.02962	2.9
161.04565	17.2
167.03500	0.7
169.25609	0.6
179.05542	1.6
183.02966	0.7
235.75735	0.5
249.65869	0.6
315.18073	11.8
375.20459	1.0
388.18756	1.5
477.23376	100.0
478.23642	2.3
537.26013	3.5
538.25702	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01376	100.0
60.01719	1.6
61.98830	8.9
67.01855	1.5
69.03462	2.3
69.27825	6.5
70.09498	1.3
71.01012	1.9
71.01382	33.4
72.99284	5.9
73.02942	25.0
75.00854	2.1
81.03446	1.4
83.01379	6.8
85.02937	13.1
87.00867	8.2
87.04497	2.3
88.98795	1.8
89.02443	25.0
93.03439	5.1
95.01391	5.3
95.05080	3.0
96.96007	4.3
97.02956	3.1
99.00873	1.6
101.02442	42.7
103.04000	11.4
109.02939	5.4
111.00891	16.1
113.02461	8.1
115.03983	4.8
116.92873	3.3
119.03511	9.3
121.02962	10.9
123.00890	30.1
123.04526	2.1
124.01673	2.5
125.02464	15.2
130.12154	1.6
131.03516	6.6
137.02420	11.9
138.03223	1.4
139.04005	5.6
141.01711	1.6
143.03531	11.0
145.05035	5.6
149.02431	1.5
151.03934	2.5
152.01132	1.7
153.01909	3.9
161.02405	4.1
161.04477	2.4
162.03201	2.1
163.06120	50.0
165.01932	81.5
166.02579	3.0
168.00677	2.3
169.01381	3.6
177.01868	1.8
179.05582	1.6
183.02971	6.6
190.02713	1.9
192.00659	19.1
193.01364	6.2
193.05090	1.8
194.02235	2.0
205.01448	1.9
205.05188	2.2
205.07143	18.0
207.03032	9.5
222.01682	2.2
233.42383	1.3
234.01674	6.1
243.12375	1.6
249.03947	3.6
265.09210	4.4
271.04428	2.0
281.13397	1.5
297.35388	1.5
307.10455	1.7
309.05893	1.6
312.04813	6.0
317.06619	2.2
327.07108	16.2
331.17703	3.0
342.10629	1.6
343.11603	2.9
344.12408	5.7
345.12827	7.3
357.13016	3.0
359.15018	7.2
433.24625	2.6
463.08710	2.1
477.23300	29.4
491.19257	16.8
493.09723	7.8
493.23312	2.2
494.10132	1.5
495.24127	1.6
537.08752	43.8
537.20160	4.9
538.09070	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	537.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20238	1.1
55.01867	1.1
57.03439	4.1
59.01378	34.5
60.31471	1.1
60.65178	1.1
61.98839	2.0
71.01375	29.0
71.45650	1.4
73.02943	11.4
75.00858	2.6
80.91678	31.8
81.03446	1.1
83.01391	4.8
85.02939	12.0
87.00858	3.6
89.02440	15.1
95.01386	2.2
97.02944	1.9
99.00853	6.4
101.02436	23.3
109.02941	1.3
111.00887	2.3
113.02445	13.7
114.02798	1.5
115.72730	1.5
119.03496	5.7
123.00890	2.0
124.01640	2.1
125.02458	24.4
131.03549	1.5
137.02449	1.9
139.04030	3.5
143.03505	1.4
149.04520	2.8
159.03008	2.5
161.02466	7.0
161.04541	9.7
165.05246	1.1
167.03455	1.9
168.00610	3.5
169.01442	2.1
169.05086	2.8
177.01923	1.6
183.02942	4.9
183.10207	2.0
192.00636	1.7
193.01341	1.8
209.08105	1.3
248.01738	1.9
264.85965	1.1
269.04453	1.6
287.05667	2.4
293.08737	1.6
309.03687	5.2
331.17252	2.3
345.19135	12.1
367.10196	1.7
399.05310	1.6
420.85376	1.6
463.08984	2.3
477.08456	3.7
477.23364	100.0
478.23587	3.6
494.23492	1.5
537.08685	2.8
537.16180	8.3
537.23621	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	537.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
61.98805	0.5
65.25629	0.4
71.46490	0.4
78.95903	3.4
81.03451	11.2
88.07639	0.5
95.04999	0.5
109.02915	1.2
110.03734	0.8
122.03716	1.8
123.04520	17.4
124.01659	1.0
125.02391	0.9
135.04503	0.9
136.05296	1.8
137.02496	3.4
137.06078	30.3
138.03239	4.5
143.86569	0.4
147.04506	0.6
149.06067	0.9
150.03203	0.6
151.03995	16.7
152.04808	3.3
152.99576	6.2
163.03947	0.5
164.04781	1.5
165.05551	16.2
166.02679	0.7
175.07629	0.6
179.07138	1.5
189.05371	0.6
191.07214	0.8
207.10252	1.6
215.74544	0.4
221.11813	2.2
222.12500	0.9
275.16571	0.7
279.23163	0.6
291.16031	0.5
299.16602	0.5
301.18094	0.9
315.19574	4.1
329.21170	1.1
330.21814	0.9
343.22589	1.1
357.24313	0.9
367.22821	1.1
384.23044	3.4
385.23550	0.6
399.25311	0.8
455.21701	0.9
478.31131	0.9
484.28210	1.5
499.30759	3.1
501.31308	0.8
505.29312	1.7
507.27390	0.9
522.29828	35.8
523.30359	1.5
537.32159	100.0
538.32599	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	537.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07066	2.3
52.81377	2.7
61.98820	7.9
69.78898	2.4
71.44555	3.0
74.66708	2.5
78.95901	22.1
102.55914	2.4
104.26260	2.3
117.51403	2.5
121.28399	2.5
125.02471	21.6
131.53383	2.3
135.47894	2.4
149.87109	2.8
152.99544	3.5
166.81033	2.5
174.43758	2.4
224.06992	7.3
255.23282	100.0
265.14471	7.4
282.25259	4.1
480.30914	99.1
537.31677	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	538.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
59.05125	0.3
61.98829	100.0
71.01395	1.3
71.45482	0.3
73.02976	0.4
77.14410	0.3
81.03473	0.4
83.01393	0.5
85.02943	0.5
88.98817	2.0
89.02425	1.6
101.02451	0.7
114.63578	0.3
124.01648	0.4
125.02477	1.4
134.03749	1.2
134.04724	0.3
135.04533	1.2
137.06046	3.0
137.49904	0.3
138.06419	0.6
138.90883	0.3
147.08154	4.5
148.08487	1.5
149.06036	1.7
161.02426	0.4
161.04607	0.4
171.08244	0.4
190.68146	0.4
191.07138	3.0
192.07564	1.0
209.08157	2.4
210.08557	0.9
291.12003	0.4
307.15472	3.4
323.14993	1.7
353.12344	0.4
371.13382	0.4
388.18811	0.7
436.18381	2.2
436.68655	0.6
457.19235	0.8
484.88138	0.3
537.23627	0.5
537.33020	0.5
538.24677	2.6
538.33374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14188	0.3
57.03447	0.5
59.01379	1.1
61.98828	100.0
66.26768	0.3
69.41579	1.5
71.01379	0.7
72.97521	0.5
81.81956	0.3
85.02956	0.3
87.00842	0.4
89.02457	0.8
98.21861	0.7
101.02459	0.8
101.95832	0.4
109.03000	0.4
111.00877	2.5
113.02461	0.3
121.02888	0.3
125.02449	3.5
129.18138	0.3
137.02431	0.6
151.04002	0.5
153.37639	0.3
156.35323	0.3
161.02437	0.4
161.04576	0.3
167.03514	0.8
168.00729	0.4
169.01402	1.5
170.01808	0.5
173.00851	0.3
177.01935	0.9
205.04898	0.3
229.22415	0.4
269.12585	0.3
277.91849	0.3
328.12955	0.3
430.02429	0.3
479.21713	0.9
539.19897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98830	100.0
63.29934	0.2
67.90031	0.2
69.23589	0.4
69.23967	1.0
88.04043	0.2
136.82069	0.2
161.98340	0.2
167.10806	0.2
169.01390	0.2
294.63712	0.3
310.10941	0.2
312.80008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	0.9
69.13877	3.3
71.01354	0.5
77.96745	0.4
78.65958	0.4
86.50588	0.5
96.78718	0.5
98.21867	1.1
105.03450	0.6
107.05047	1.0
109.02949	0.9
117.03458	0.7
119.05022	1.1
120.70824	0.5
121.02941	1.4
132.02161	0.9
133.02936	4.4
134.03740	66.5
135.04526	43.9
139.04070	0.5
145.02946	1.0
147.04559	3.1
148.05342	4.1
149.06078	40.7
151.60648	0.5
160.01669	5.4
160.03813	0.7
161.02454	6.7
161.06087	6.2
162.03207	2.2
162.06900	0.9
173.06026	1.2
175.02687	1.3
175.03992	9.3
175.07607	0.7
176.03496	3.0
178.05150	2.3
188.84871	0.5
189.04291	0.8
190.05072	2.4
204.06651	5.4
233.09343	0.7
247.10695	2.6
261.12360	0.7
289.12082	0.9
303.13486	1.0
304.16565	0.6
317.14981	1.2
330.15796	1.2
346.17715	9.1
347.18402	3.8
360.19144	0.9
362.20850	7.2
373.16409	5.7
374.17188	0.7
388.18768	37.2
389.18961	1.6
471.74173	1.7
496.24832	0.6
522.22266	1.1
523.23108	1.3
537.76440	1.3
538.25562	100.0
539.25842	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	538.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27147	0.3
59.01382	1.5
61.98829	2.9
70.97942	0.4
78.89554	0.4
82.78694	0.4
101.02465	0.5
107.05029	0.9
108.02183	0.4
109.02961	0.8
112.04897	0.4
119.05016	0.8
121.02975	2.0
123.04542	0.8
124.77261	0.4
125.02450	0.8
132.02188	1.4
133.02956	5.4
134.03741	65.7
135.04529	46.0
135.05608	0.8
137.02446	0.7
147.04510	3.0
148.05312	4.9
149.06082	42.0
160.01657	5.2
160.03976	0.4
161.02426	6.5
161.04774	0.8
161.06064	5.3
162.03174	2.4
162.06921	0.4
164.96225	0.4
169.01384	0.6
173.06052	0.7
175.02687	1.6
175.04007	10.0
175.07646	0.8
176.03490	2.8
176.26895	0.4
178.05063	2.4
189.04312	1.2
190.05125	1.6
194.02214	0.5
203.05882	0.6
204.06644	5.7
216.06609	0.7
218.08232	0.9
246.11417	0.7
247.10669	2.2
261.12418	0.6
273.08911	0.9
275.13593	0.5
287.10364	0.6
303.13351	1.0
304.16660	1.1
311.08047	0.4
317.15085	1.5
329.15344	0.6
330.15677	1.3
331.16180	0.5
345.17868	0.5
346.17688	10.1
347.18332	4.8
360.19272	1.0
362.20844	6.3
372.15652	0.6
373.16415	5.7
374.17258	0.7
376.22321	0.6
388.18753	36.7
389.19138	1.1
522.22504	1.2
523.23004	1.0
538.25580	100.0
539.25818	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	538.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
59.27586	0.8
61.98827	100.0
63.34571	0.8
71.30148	0.8
79.97915	0.8
94.23280	0.8
105.94655	0.9
116.05870	0.9
125.54300	0.9
149.06079	1.1
188.23746	0.9
194.13115	0.9
294.76721	0.9
355.26324	2.2
359.25763	1.0
371.25900	1.1
379.67047	0.9
387.28809	1.0
399.25391	8.2
413.26541	1.2
431.27942	2.0
475.26978	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	539.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99689	1.0
59.01380	23.1
69.22904	2.6
69.23315	3.5
71.01377	26.6
73.02926	1.8
75.00870	1.4
78.95887	1.5
85.02950	4.9
87.00861	6.0
89.02440	33.1
93.21769	1.1
96.96925	1.7
101.02444	14.9
103.08894	1.2
111.00871	3.1
113.02431	14.1
115.00385	4.7
119.03516	6.9
125.02454	2.9
129.01913	1.3
131.03528	1.7
133.01416	10.3
138.03229	2.6
143.03494	2.7
149.04515	1.6
153.05573	1.9
161.04543	5.1
179.05603	19.4
182.02242	1.5
191.02005	2.9
197.04474	5.5
221.06505	7.4
323.09952	3.2
341.10852	5.2
377.08301	6.1
503.16171	100.0
504.16647	3.4
539.13861	71.1
540.14117	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	539.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
59.01378	6.4
61.98817	1.6
70.73952	0.6
71.01018	0.7
71.01376	9.2
71.99319	0.5
73.02943	1.7
81.03457	1.2
82.95414	27.3
83.01381	1.8
85.02940	2.3
87.00878	1.4
89.02448	1.9
90.85320	0.6
95.01389	5.9
96.96004	1.9
97.02959	1.1
99.00860	0.7
101.02436	4.1
107.01385	1.9
109.02932	1.9
113.02446	2.6
121.02951	4.5
122.00063	0.7
123.00885	46.7
124.01643	2.1
125.02441	5.6
127.00337	0.7
136.98793	1.0
137.02434	7.0
138.03235	15.0
139.00365	1.2
139.03981	2.4
149.04553	1.0
151.04004	0.7
153.01962	1.9
153.05554	7.6
155.03502	0.9
161.02420	1.4
165.33121	0.7
166.02589	0.7
166.99854	34.7
168.00624	2.4
169.01398	2.3
172.24986	0.6
177.01933	0.8
181.01411	9.1
182.02208	90.7
183.02960	11.3
187.26039	0.6
196.03755	4.8
197.04547	100.0
198.04912	1.4
211.06145	2.7
225.04117	0.8
237.04022	0.7
283.08728	0.7
311.04190	0.9
312.04898	1.1
326.06390	7.1
327.07239	15.7
341.08762	95.3
342.09192	2.9
357.20398	0.6
479.24994	1.3
493.22623	1.4
539.13550	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	539.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47013	0.7
54.18343	0.7
54.39939	0.8
56.18441	0.9
57.03434	1.2
59.01378	8.7
60.10970	0.8
61.98826	5.5
67.26848	0.8
68.99781	1.2
71.01385	11.6
72.99346	0.8
73.02934	1.8
81.03455	1.8
82.95402	2.2
83.01404	2.1
85.02917	3.7
89.00314	1.7
89.02419	1.6
91.01857	1.8
93.03423	1.3
95.01383	1.2
96.95965	0.9
96.99357	1.5
97.02959	1.0
98.22622	1.8
101.02464	4.5
106.00609	1.4
107.01355	1.3
109.02950	17.3
110.00068	1.1
113.02435	5.7
121.02953	35.3
121.03844	1.7
122.00085	1.0
123.00896	13.5
124.01601	1.6
125.02427	4.4
125.99574	1.1
127.00347	1.6
136.98763	1.1
137.01433	1.3
137.02441	18.2
137.99576	1.0
138.03226	11.4
139.00346	3.2
139.04001	9.3
144.29858	0.8
149.02385	0.9
151.00313	0.9
152.04688	0.8
153.01952	17.9
153.05569	34.0
153.99130	0.8
155.03459	2.8
161.04564	0.9
162.70155	0.8
165.01900	1.9
166.02695	1.2
166.98869	0.7
166.99867	7.5
167.03505	1.1
168.00601	0.9
169.01419	1.4
177.01808	1.8
180.04234	2.1
180.99895	1.4
181.01413	22.0
182.02202	27.5
183.02956	14.2
195.02956	0.9
195.06599	1.5
196.03769	13.7
197.04549	100.0
211.06082	13.0
223.06102	0.9
224.03253	14.0
225.03975	4.0
239.05600	52.8
240.05792	0.9
241.66125	0.9
251.05545	5.7
255.05394	1.2
269.06628	5.2
281.06641	3.7
285.06140	1.0
299.07718	12.4
311.04117	1.1
326.06314	4.2
327.07095	8.2
341.08737	31.8
385.14862	1.3
454.35620	0.8
479.11713	1.9
539.13928	91.6
540.14294	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53586	0.7
54.61444	0.6
57.03403	0.7
59.01321	6.1
61.98775	4.2
62.95352	0.6
65.99563	0.6
69.28864	1.7
69.29273	2.7
71.01335	2.4
73.02913	1.4
73.36561	0.7
82.95413	17.4
84.95077	1.5
85.02905	2.1
87.00825	0.7
89.02399	1.5
93.03459	24.2
93.38497	0.7
94.03783	6.1
95.03944	0.7
95.05005	0.8
96.96014	3.7
98.95526	1.9
101.02406	1.7
108.01477	0.9
108.02175	14.6
109.03007	9.5
111.00874	0.9
113.02424	1.5
117.19439	0.7
119.04966	1.0
121.02989	3.3
123.00832	1.2
123.04508	2.2
124.01607	0.7
125.02415	2.9
133.02946	0.9
135.04497	1.2
137.02443	33.2
138.02777	9.5
139.02887	4.7
139.03951	1.3
145.02924	1.5
149.02403	3.6
151.00307	0.7
151.03978	3.9
152.01155	25.3
153.01521	7.2
154.01566	5.3
161.02408	2.3
161.04532	0.9
163.00420	0.7
163.04053	1.9
164.01100	1.8
165.01909	8.7
169.01395	2.3
173.02426	0.9
173.09325	0.7
177.01958	0.9
179.03481	2.1
189.01845	1.7
191.03448	1.5
192.00699	2.4
193.01413	100.0
194.01945	1.1
195.02991	3.1
205.01413	1.2
206.02226	1.4
207.02986	12.8
211.13429	2.9
223.02525	1.9
235.02481	17.1
241.33002	0.8
277.03452	0.9
399.09302	4.3
400.09570	6.4
401.09821	21.2
477.18427	1.2
479.15549	3.9
479.25955	1.0
521.17310	2.7
539.18353	70.2
540.18835	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	539.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.03428	3.0
59.01117	1.6
59.01383	24.0
61.98785	1.4
69.03459	1.8
69.32661	4.0
69.33070	1.7
71.01379	33.8
72.97531	21.3
72.99302	1.1
73.02947	15.0
78.91885	7.1
80.91654	1.6
83.01366	5.3
85.02940	11.1
87.00873	2.8
89.01924	1.5
89.02441	19.6
91.05534	3.2
95.01378	2.5
96.96005	3.5
97.02938	3.5
97.06584	1.5
99.00880	7.9
101.02442	21.6
111.00878	11.6
113.02456	11.2
115.04008	2.5
124.01652	1.2
125.02444	16.2
126.02835	1.4
131.03474	3.0
134.97574	5.6
137.02391	2.1
138.03229	1.1
143.03508	1.9
149.04610	3.1
153.01918	1.9
159.02956	2.2
161.04546	10.9
165.01955	1.4
167.03514	1.7
169.01410	16.0
170.01764	1.6
177.01932	1.3
179.07094	2.0
185.11852	3.1
191.05533	1.7
193.01367	2.1
209.08186	5.3
233.06657	3.0
293.08658	2.1
347.11816	1.5
347.16998	9.7
377.12286	2.1
457.07758	2.3
479.21326	100.0
480.21317	2.0
495.25171	1.1
497.05936	1.9
554.12964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01975	1.1
57.03447	2.0
59.01379	35.5
59.01828	1.7
61.98832	19.9
71.01384	27.8
71.43823	1.5
72.97534	6.1
72.99298	1.6
73.02953	12.1
75.00873	2.3
81.03439	2.0
83.01379	3.5
85.02955	8.6
87.00877	2.0
88.98783	2.4
89.02444	26.1
94.98095	1.3
95.01406	1.4
96.96017	16.7
97.02937	3.0
99.00864	10.0
101.02446	23.4
108.02189	1.7
109.02951	4.4
113.02464	9.4
115.04015	1.8
115.72933	1.1
119.03503	3.6
123.04582	1.1
124.01711	2.0
125.02438	11.1
131.03499	2.8
131.81300	1.2
135.53110	1.2
137.02432	1.4
143.03558	1.4
149.04576	5.5
152.01073	1.5
153.01933	7.8
161.04565	5.0
167.03426	3.2
169.01474	2.6
171.10243	4.9
173.72261	1.1
177.01933	3.3
183.02983	2.9
185.11734	1.4
191.03503	1.2
191.05580	1.9
193.01369	3.5
225.07570	1.9
233.06616	1.7
289.63998	1.3
293.08823	1.7
347.17090	8.5
449.07092	3.4
479.21286	100.0
480.21432	3.5
495.24286	3.3
539.14178	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	539.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03432	4.2
59.01080	1.9
59.01377	35.6
61.98829	37.0
62.25063	1.5
62.98531	1.1
69.03456	1.9
69.38554	6.1
71.01379	29.2
72.97527	7.0
72.99308	1.6
73.02941	11.3
75.00858	4.4
81.03453	1.9
83.01388	2.3
84.60072	1.2
85.02960	9.1
87.00861	2.8
88.98820	3.1
89.02443	25.9
95.01402	1.4
96.96008	37.2
97.02970	3.1
98.22638	2.3
99.00874	9.2
101.02435	23.6
108.02151	1.6
109.02961	11.9
113.02474	7.8
115.04015	2.4
116.92876	1.5
119.03506	2.5
121.02980	2.9
123.00857	1.7
123.04559	1.4
124.01651	4.7
125.02443	19.4
131.03490	4.1
135.04588	1.4
137.02429	2.2
139.04016	2.0
143.03461	3.0
149.02449	2.3
149.04517	7.4
151.00345	1.1
151.04047	1.9
153.01926	14.0
153.05606	1.4
156.99106	1.6
159.02953	1.7
160.07420	1.2
161.02448	2.0
161.04507	5.1
165.01917	2.1
165.95329	1.1
167.03513	8.4
168.00658	5.6
169.01418	5.4
171.10245	5.0
175.03938	1.4
177.01874	6.6
183.03001	11.7
185.11884	1.7
191.05524	1.8
193.01427	7.3
225.04112	2.3
225.07643	3.5
229.60754	1.4
233.06540	2.3
235.02768	1.4
243.02917	1.6
285.06296	1.9
287.05475	1.5
293.08856	2.0
305.06708	1.9
313.05643	1.8
347.10599	2.3
347.16928	12.2
449.07367	8.7
459.26389	1.3
479.14752	6.9
479.21280	100.0
480.21652	2.6
495.16425	1.5
495.24402	6.7
539.13837	7.0
539.20105	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	539.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01376	15.2
60.99307	6.0
61.98825	0.6
69.20150	0.8
69.20554	1.8
69.65260	0.5
71.01363	2.9
72.99297	0.6
73.02937	1.2
75.00877	9.6
83.01394	0.5
85.02939	1.0
87.00892	0.6
88.98802	40.8
89.02441	7.6
97.02983	0.5
101.02436	3.4
102.72771	0.5
109.02950	1.0
113.02411	1.4
119.03503	1.2
125.02450	4.5
137.02432	0.5
141.01718	0.6
141.99910	0.4
149.42648	0.5
153.01932	2.0
161.02437	0.8
161.04489	1.0
169.01407	2.0
174.74142	0.5
179.07137	0.5
183.03047	0.5
183.13905	5.0
193.12296	1.5
211.13387	100.0
212.13666	1.3
235.08163	0.8
253.09273	11.6
255.16003	0.5
309.08136	0.5
385.12921	0.7
387.14758	0.7
403.14014	0.8
447.22369	12.4
521.26654	0.6
539.28644	1.7
539.50525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23304	0.4
57.03447	0.8
59.01376	17.3
61.98833	2.5
71.01382	3.3
72.99309	0.6
73.02946	2.2
75.00876	0.6
83.01398	0.5
83.05003	0.5
85.02943	2.4
87.00848	0.5
88.98822	0.4
89.02425	3.3
93.03463	2.0
93.28316	0.3
97.06590	0.6
99.00850	0.8
101.02438	3.7
109.02950	1.5
109.06583	0.5
113.02452	2.1
116.14264	0.3
118.86516	0.4
119.03494	0.8
123.04511	0.8
123.07999	0.4
125.02454	7.7
137.02443	6.1
137.06117	0.5
139.07619	0.5
141.01712	0.4
149.04631	0.4
151.03975	1.0
151.07649	1.0
153.01924	1.1
157.08693	2.0
159.04459	0.4
161.04536	1.0
169.01437	5.8
179.07053	0.5
183.13913	5.7
192.00542	0.5
193.12386	1.7
203.07106	0.6
211.13383	100.0
212.13745	1.2
235.08151	1.1
245.08298	0.5
253.09268	10.7
289.07263	2.1
289.10336	0.4
337.20139	1.6
381.23370	0.4
387.14371	2.8
447.16147	0.6
447.22372	12.3
448.22711	0.6
479.32404	2.2
495.29843	0.4
539.16327	0.8
539.31726	2.1
550.08160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01377	100.0
61.98820	3.7
65.66096	0.8
69.03465	1.9
70.14867	0.8
71.01003	1.6
71.01382	23.7
72.99304	3.1
73.02945	25.5
75.00872	3.0
76.40194	0.9
82.95392	1.1
83.01392	2.6
85.02952	9.9
87.00887	8.1
87.04507	3.4
88.98814	4.2
89.02441	27.8
89.44020	0.8
92.99519	1.0
96.96012	37.5
97.02928	1.5
99.00864	1.4
101.02443	47.9
103.04016	15.8
105.00136	1.8
109.02935	1.4
113.02455	7.0
115.04014	8.4
119.03506	10.2
123.04489	1.2
125.02457	7.5
131.03517	8.9
141.15742	0.9
143.03485	12.7
145.05069	6.5
148.99146	3.2
161.04539	1.3
163.06123	83.8
169.01436	4.4
169.71585	0.9
179.05675	1.1
202.09004	1.2
205.07170	20.5
238.08855	1.1
257.82819	1.0
265.09274	11.3
325.11380	1.9
479.24899	24.1
539.14374	1.6
539.34570	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	539.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97438	0.9
59.01375	100.0
61.98822	2.8
66.24553	0.8
69.03469	1.0
69.17060	0.9
69.61320	2.5
69.61694	2.0
71.01379	20.0
72.99300	1.3
73.02940	24.7
75.00854	2.2
77.44449	0.8
77.72260	0.8
79.42712	0.9
83.01379	2.5
85.02946	10.9
87.00864	6.3
87.04514	3.9
88.98791	3.1
89.02435	24.8
95.01310	1.4
96.96002	30.3
98.98188	0.9
101.02435	43.5
101.03097	2.2
103.04006	15.8
104.06262	0.9
105.00159	2.8
106.92871	1.1
109.02962	1.2
113.02441	6.1
115.04019	8.5
119.03490	9.3
125.01638	0.9
125.02426	6.7
131.03503	8.1
143.03513	11.1
145.05054	5.2
148.99092	3.4
151.03940	1.1
161.02542	1.0
161.04497	2.2
163.06114	86.7
167.03477	1.5
169.01413	4.4
179.05574	2.4
183.50906	0.9
195.72057	1.1
205.07144	18.7
216.43639	1.0
238.08786	1.1
265.09222	9.9
325.11334	1.6
333.19315	1.1
369.73019	1.2
441.50275	1.0
479.24966	22.0
539.13953	2.2
539.21497	3.6
539.35071	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	540.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.6
61.98829	100.0
71.01378	1.6
75.00865	0.7
88.98801	1.3
89.02450	0.7
90.99249	0.9
96.30481	0.4
101.02453	0.9
101.05143	0.4
101.09074	0.5
113.02499	0.6
125.01640	0.6
125.02412	3.0
131.29602	0.6
167.03571	0.7
177.01936	0.5
240.48576	0.5
243.02963	0.5
271.02563	1.6
287.02023	3.6
300.02719	0.9
301.03348	0.9
302.03748	0.6
315.01450	9.0
315.04932	0.7
316.02249	4.9
330.03986	0.8
331.04584	3.1
341.45126	0.5
387.20563	0.5
413.13470	0.5
448.09891	0.8
449.09891	0.7
450.10175	1.1
477.10336	12.1
479.26169	0.7
539.34692	0.9
540.34747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.98830	100.0
69.17867	1.5
70.80145	0.3
70.80550	0.3
71.01389	0.4
83.01367	0.3
87.00890	0.3
89.02480	0.4
92.24644	0.3
94.23737	0.3
109.02955	1.0
125.02444	1.0
126.25157	0.3
153.01927	0.8
169.01472	0.4
192.00639	1.4
193.01347	0.3
202.92921	0.3
207.03023	1.0
211.13406	1.1
477.10556	0.6
498.77161	0.3
540.19983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49806	1.3
56.42929	1.4
57.03429	1.7
59.01376	7.5
61.98829	98.5
71.01385	4.1
74.33540	1.4
75.00874	4.7
82.95400	7.7
85.92366	1.4
87.42256	1.2
88.98816	3.7
101.02462	2.5
109.02936	2.0
116.53265	1.3
124.01640	1.7
124.32431	1.4
125.02458	9.8
137.02441	2.8
151.00386	4.9
161.02477	1.8
167.03473	2.3
177.01894	2.7
178.99887	2.4
179.07132	3.4
180.06876	1.5
203.03456	2.3
215.03499	1.5
223.06041	3.5
231.02939	2.0
242.02328	2.4
243.02922	6.6
259.02435	5.8
270.01694	1.6
271.02496	12.5
287.01910	16.5
300.02884	2.4
301.03262	1.8
309.16888	1.6
314.04379	2.4
315.01495	27.7
315.04904	2.2
316.02106	8.9
330.03748	41.9
331.04581	35.1
340.91232	1.4
477.10358	100.0
478.10529	3.9
502.19861	1.6
540.17297	3.1
540.25818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01374	27.9
61.98834	6.7
69.59042	3.1
69.59396	1.2
71.01360	3.7
73.02934	7.8
82.95411	15.0
83.01368	4.0
83.20322	1.0
84.95097	3.4
85.02902	1.9
87.00851	1.2
87.04501	1.3
89.02369	0.9
95.05016	1.1
96.96001	2.3
97.02979	0.9
97.06609	1.6
98.21877	1.3
99.00874	1.2
101.02420	4.7
105.36140	1.1
108.02147	3.1
109.02948	71.6
109.06625	1.2
113.00882	1.1
113.02427	1.7
123.00864	1.1
123.04496	2.6
124.01627	1.5
125.02439	7.9
132.66161	0.9
137.02431	1.0
139.11310	12.5
143.03540	1.0
151.07607	1.2
152.01083	1.5
153.01933	100.0
153.56030	0.9
154.02191	1.3
157.08641	1.3
161.02425	1.0
163.11147	1.1
165.09137	1.8
167.03447	1.7
169.01379	3.4
169.12352	2.5
177.01868	2.6
179.10823	1.2
181.12387	6.9
183.10245	16.5
193.01474	1.7
195.02945	2.5
197.11864	1.6
199.13364	4.5
201.11327	4.7
211.13435	1.6
225.11324	12.7
243.12364	36.2
285.13403	11.8
297.06104	3.8
315.14487	1.3
327.14362	2.0
345.15482	12.1
379.13898	3.0
387.16672	8.8
405.17657	35.3
406.17422	1.0
438.17389	1.2
457.98273	1.2
479.08084	1.9
481.16855	1.7
523.18237	1.1
523.28943	2.2
541.19104	54.9
541.27771	2.2
541.30286	2.3
542.19379	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	541.1927
Annotation	6-O-(3,4,5-trimethoxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
54.51698	0.3
57.03444	1.3
58.35841	0.3
59.01378	8.9
61.98821	2.0
69.03460	0.5
69.25517	0.8
69.25912	1.8
71.01375	1.5
73.02935	1.6
78.91887	0.8
81.03471	1.0
82.10553	0.3
83.01392	1.4
85.02957	1.3
87.04514	0.4
88.98816	0.4
93.03445	0.5
93.26357	0.3
96.96004	0.6
99.00898	0.5
99.04482	0.4
99.38385	0.4
101.02457	1.1
108.02170	39.2
109.02950	35.9
113.02412	0.7
121.02937	0.5
123.00873	0.7
123.04537	1.3
125.02416	1.6
128.18967	0.4
135.04498	0.7
139.11284	5.0
149.02367	0.4
151.03998	1.0
151.07610	0.5
152.01147	51.6
153.01932	20.9
154.02237	0.6
163.04047	0.7
165.01904	0.5
169.01450	0.8
175.04169	0.3
181.12338	1.2
183.10255	6.2
225.11270	2.0
243.12413	1.0
267.06741	0.6
315.07043	0.6
319.98682	0.3
340.09409	0.4
355.11703	2.0
361.12720	0.4
379.13217	0.5
384.63583	0.4
438.83142	0.4
479.19128	2.7
481.17203	3.6
497.20215	4.0
523.18079	1.7
541.19220	100.0
542.19653	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	541.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
59.01380	29.0
61.98826	1.6
65.71153	1.6
71.01378	23.7
72.99322	1.6
73.02959	7.4
81.03455	1.3
82.95414	43.0
83.01383	3.6
83.50385	1.4
85.02960	6.2
89.02440	28.1
96.96051	3.1
97.02966	2.0
99.00883	10.0
101.02438	14.8
109.03001	2.0
111.00879	2.6
113.02480	6.5
115.03954	1.9
119.03501	4.1
119.69378	1.6
125.02459	15.8
131.03490	1.6
137.02460	2.3
139.04054	1.9
149.04568	5.4
152.01132	2.5
161.02463	2.8
161.04581	5.2
167.03473	3.1
169.01407	16.4
187.13420	3.4
191.05652	2.2
332.22491	1.4
349.18643	4.3
380.26642	1.4
409.49414	1.5
481.22894	100.0
482.23489	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	541.3151
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
57.89282	15.6
59.01372	100.0
61.98827	36.9
63.79829	14.4
69.90021	37.7
98.22572	21.0
116.97213	42.4
121.20854	15.8
125.02422	40.1
140.42824	18.0
141.01685	37.5
157.18759	16.7
337.43698	15.6
348.07117	19.2
402.45047	16.8
505.33743	33.7
541.31854	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	541.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25647	0.4
60.32702	0.4
70.12412	0.6
70.12764	1.4
75.75555	0.4
104.06310	0.5
121.72208	0.5
123.00951	0.5
125.67060	0.4
159.04602	1.6
161.02562	0.7
163.30803	0.5
171.04459	0.5
173.02457	0.6
174.03366	0.7
177.05615	1.1
187.03966	4.2
188.04971	0.5
189.01950	0.8
199.04091	1.8
200.01224	0.8
201.01929	3.4
201.05675	1.1
205.46616	0.6
211.03998	0.8
214.02682	5.0
215.03485	18.6
216.04300	2.8
218.54971	0.5
228.04323	0.6
229.05141	2.7
243.06697	0.9
276.04932	0.6
314.15289	0.8
327.16052	1.7
328.16788	2.2
328.20355	0.6
355.15256	0.5
355.19232	1.3
356.19864	2.0
441.33884	1.0
453.33743	2.0
468.32294	5.6
469.33188	100.0
470.33527	4.2
497.32791	2.6
541.31665	28.4
542.31311	0.8
543.59686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3169
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
59.53567	2.0
69.79189	5.8
69.79575	4.6
84.47456	2.1
87.15193	1.9
124.42321	2.2
161.02394	1.9
195.43495	2.1
201.01956	2.8
201.05553	2.2
214.02606	4.3
215.03453	14.9
229.05089	3.0
246.19435	2.0
259.47845	2.1
274.99771	2.2
300.26181	2.1
306.97513	2.4
361.18579	2.1
469.33142	100.0
497.32547	3.5
541.31738	79.4
542.31915	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	541.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
60.99302	13.1
61.41759	0.4
61.98829	2.5
69.37016	0.6
69.37423	1.8
71.01366	0.6
76.74048	0.3
78.95930	0.3
85.02925	0.5
87.00852	1.0
88.00443	0.4
88.98798	100.0
89.02436	19.0
96.96012	1.8
101.02424	0.6
112.57473	0.4
125.02422	1.3
251.99477	0.4
264.57825	0.4
395.73883	0.4
451.16974	0.4
479.08450	0.7
481.24478	0.6
541.26581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53639	1.0
54.12408	1.0
57.04884	1.1
61.98827	19.3
69.22985	4.7
69.23399	2.5
71.01376	1.7
74.41687	1.2
78.95919	1.9
95.01389	1.1
96.96015	13.5
98.22665	2.2
121.02962	2.7
123.00890	4.7
124.01686	4.0
125.02454	24.6
139.00320	1.1
141.01906	1.7
151.00328	3.1
151.86977	1.1
153.02029	1.4
155.93918	1.2
161.02423	3.0
163.52524	1.1
164.01112	2.1
165.01875	1.2
166.02724	2.8
168.00723	2.6
169.01425	31.1
190.02747	4.4
192.00632	18.7
193.01437	10.1
194.02191	4.2
205.01518	1.4
206.02216	4.2
207.02995	8.6
209.04506	2.5
211.02492	2.3
221.00949	1.3
222.01744	3.5
234.01738	14.0
243.28195	1.1
246.01799	1.8
249.04062	8.2
262.43646	1.0
271.04678	1.7
279.32028	1.1
294.03876	1.6
307.61264	1.3
308.46732	1.1
309.06198	2.3
312.04892	5.0
327.07230	2.5
479.08319	100.0
480.08588	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	542.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	3.4
69.29329	5.2
84.40112	1.1
107.01391	1.8
123.00914	2.7
124.01658	4.8
125.02473	7.0
137.02438	2.5
139.03928	1.0
139.97205	1.1
149.02435	2.4
157.16679	1.0
164.01126	2.6
165.01903	3.4
166.02705	1.3
168.00644	4.3
169.01382	6.9
178.99857	1.2
183.02975	1.3
184.27051	1.1
190.02669	2.2
190.53893	1.0
192.00644	40.4
193.01413	50.3
194.02078	4.2
205.01401	1.3
206.02200	2.3
207.02954	10.4
211.02446	8.8
220.51796	1.1
221.00809	1.9
222.01566	2.0
234.01707	6.4
235.02512	4.1
249.04028	3.0
271.04440	2.0
294.87512	1.2
312.04803	2.7
313.05524	3.6
327.07272	1.4
328.28192	1.1
416.54742	1.1
479.08307	100.0
480.08456	3.6
534.33752	1.1
564.03998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
59.01373	0.5
61.98828	100.0
71.01378	0.4
83.01383	0.2
85.66898	0.1
88.04054	0.2
89.02464	0.3
96.96005	0.9
101.02452	0.3
107.01376	0.2
118.80719	0.1
123.00893	0.5
124.01673	0.4
125.02435	2.7
137.02451	0.2
161.02443	0.4
167.03479	0.3
169.01419	2.9
169.02760	0.2
177.01930	0.4
190.02728	0.4
191.03517	0.2
192.00652	1.8
193.01379	0.8
194.02190	0.3
205.01364	0.3
206.02332	0.3
207.03047	0.8
211.02597	0.2
216.15691	0.2
218.10268	0.4
221.00952	0.3
234.01680	1.1
249.04050	0.6
271.04446	0.2
309.06229	0.2
312.04965	0.5
327.07382	0.3
373.42838	0.1
446.93588	0.1
455.32266	0.2
479.08292	8.3
480.08783	0.4
482.21991	0.8
542.21417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89395	0.2
52.86884	0.2
58.78172	0.2
59.01386	1.9
61.98827	100.0
71.01395	0.7
71.44193	0.2
73.02932	0.5
79.65916	0.2
85.02962	0.2
89.02501	0.3
96.47278	0.2
108.02396	0.2
109.02937	0.3
113.02470	0.2
114.92624	0.2
123.00884	0.3
124.12869	0.2
125.02430	1.4
135.76289	0.2
150.96292	0.2
151.07713	0.2
157.08794	0.3
161.02470	0.5
169.01463	0.3
179.07202	0.3
181.14124	0.2
185.60539	0.2
192.00659	0.7
193.01497	0.8
211.13304	0.3
212.13704	0.5
234.61732	0.2
250.63420	0.2
285.64114	0.2
304.30359	0.2
462.26172	0.3
479.08301	2.1
479.26801	0.3
480.27136	0.9
541.30652	0.5
542.30646	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	542.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68830	0.8
61.98827	100.0
65.21733	0.9
69.61709	3.3
80.87859	0.9
241.69734	1.0
278.17044	1.0
341.38675	1.0
356.88342	1.0
378.57697	1.3
500.60318	1.1
542.28333	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	543.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66637	4.7
51.82603	4.5
59.01073	5.9
59.01376	100.0
61.98822	24.9
67.85915	4.6
69.03456	9.3
70.85587	4.4
71.01376	91.3
73.02954	11.9
74.91325	5.0
82.95439	4.7
83.01398	6.0
85.02952	15.0
87.00911	4.9
89.02439	91.3
97.02962	9.1
101.02456	22.6
113.02450	18.0
116.97266	7.3
125.02455	40.3
129.16835	4.9
131.03522	26.4
142.54253	4.8
149.04517	40.9
153.01958	6.9
174.06836	19.2
189.09192	56.8
191.05667	12.4
233.06601	8.0
244.22144	4.6
293.08774	76.4
470.62262	5.3
476.05966	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	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03432	0.4
59.01378	8.3
61.98825	11.8
67.01907	0.7
69.03454	0.5
69.49095	1.8
71.01385	4.0
72.93517	0.5
72.99316	0.9
73.02943	3.5
75.00842	0.6
78.98585	0.6
79.05477	0.5
79.95725	1.3
80.96517	5.4
81.03445	0.6
83.01390	0.5
83.05036	0.9
85.02962	2.6
87.00880	4.6
89.02442	2.1
93.03457	8.5
94.98057	2.2
95.01364	1.5
95.05014	1.3
96.02167	1.9
96.95965	1.2
97.02947	0.9
97.06592	1.6
98.22514	1.0
99.04498	1.2
101.02431	2.5
107.05048	0.6
109.02953	1.1
109.06576	0.5
111.00857	0.5
111.04513	6.2
113.02456	1.4
115.04007	0.6
117.01875	0.6
119.03519	0.5
122.03728	0.5
123.00880	7.4
123.04525	1.5
123.08176	0.7
124.01664	5.4
125.02477	2.8
125.06081	1.0
125.09700	1.6
127.04042	0.5
127.07682	0.5
133.06544	0.6
135.04533	1.0
135.08183	1.1
136.05312	0.7
137.02441	26.1
137.06020	2.4
137.09724	0.6
138.03220	3.8
139.04008	4.3
143.10788	0.5
145.06581	0.5
145.75307	0.4
148.99106	0.8
149.02431	0.5
149.06056	0.6
150.03227	0.9
151.03958	2.5
151.07614	1.6
153.01974	0.5
153.05579	3.3
153.09248	0.7
155.10791	0.7
157.08640	0.5
161.04732	0.4
161.06076	1.2
163.07686	0.5
164.04762	1.2
164.98650	1.2
171.10246	2.0
171.62450	0.5
179.07124	9.4
181.01462	0.4
192.11124	0.5
193.01118	0.5
197.08186	0.7
201.11247	2.2
205.08734	0.8
211.13416	1.1
225.00786	1.4
291.46051	0.5
295.15552	0.6
301.20233	2.1
315.61951	0.5
340.82919	0.5
343.21231	0.5
343.24680	2.2
345.22772	1.7
353.23242	0.9
415.27579	0.5
419.28137	0.6
443.29858	0.6
445.25739	0.5
452.31393	0.5
463.27042	7.7
480.08603	0.8
481.28000	31.7
482.28448	1.3
499.22147	0.8
499.28857	7.3
507.29846	1.2
525.30731	1.9
543.21582	9.0
543.31763	100.0
544.32007	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	543.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98822	17.9
68.98550	2.4
69.26131	10.1
71.01375	27.7
73.02934	25.2
80.91671	7.5
81.03453	24.0
82.95415	28.4
83.01422	5.8
83.05028	66.5
83.52471	2.7
85.02938	9.7
87.00874	7.6
89.02450	11.4
90.91652	3.3
101.02458	23.7
113.02461	15.7
119.03509	3.6
123.00896	3.2
125.02453	6.6
141.01906	2.6
142.08736	2.6
145.05070	6.5
161.04533	4.7
169.01364	4.9
170.08206	3.4
178.28766	3.2
181.12314	8.2
181.69850	2.9
188.09308	12.7
275.72168	2.6
332.13425	5.9
350.10693	3.4
350.14554	12.3
392.15552	12.8
417.44244	2.9
480.08609	5.8
481.31659	4.4
484.25604	6.4
499.21814	7.4
499.33017	8.5
502.26706	5.8
507.35364	9.1
525.26971	5.1
543.33234	82.7
544.27533	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.331
Annotation	Luvungin F
Peak:m/z	Relative Intensity
59.01390	43.0
59.04230	8.8
60.00872	7.1
61.98816	25.4
63.60366	6.5
71.01387	10.2
73.06333	5.9
101.02423	15.6
108.67821	6.5
109.87294	7.6
116.97254	54.9
148.47206	6.5
177.01772	8.1
195.20949	7.3
307.09021	7.7
335.21835	8.6
381.26379	14.1
457.19064	9.2
480.08945	8.9
502.60776	7.4
543.32550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3307
Annotation	Luvungin F
Peak:m/z	Relative Intensity
58.04016	3.5
59.01379	57.8
61.98822	17.0
69.37115	6.6
69.37517	13.9
71.01383	18.9
73.02948	11.3
83.05041	3.9
85.02951	8.1
89.02445	9.7
98.22679	3.3
99.00888	3.4
101.02458	7.8
111.79066	3.3
113.02441	9.9
116.97227	5.3
119.08682	5.3
121.06608	6.5
125.02435	9.8
125.09713	6.9
125.60787	3.2
141.09224	4.1
142.66861	3.7
149.04533	3.9
153.07759	3.6
161.04529	6.8
169.06065	5.2
169.12387	3.1
175.52853	3.7
176.18736	3.8
185.11858	7.6
192.00636	3.5
192.54523	3.8
207.03076	3.4
249.14954	4.0
252.67015	3.8
253.09216	10.0
257.81375	3.5
289.18231	18.5
307.19070	13.4
480.08447	7.8
507.35379	13.1
525.26837	6.9
543.33179	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	544.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.95900	1.2
93.07027	0.9
109.02965	2.5
123.00866	1.4
124.01608	1.2
137.02452	4.8
138.03267	1.5
151.04008	4.1
163.03943	1.4
178.04768	1.1
249.12137	0.9
265.21616	1.3
269.47284	1.0
302.18842	1.5
439.89679	1.1
449.23300	1.9
466.23560	14.2
481.25952	63.5
482.26352	1.8
508.37103	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	544.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.77713	0.5
56.08409	0.5
57.03441	1.0
59.01379	59.8
59.12035	0.5
61.98821	3.1
69.32178	2.3
71.01381	22.2
72.99299	0.9
73.02946	21.9
80.91731	0.6
81.03455	26.8
82.95402	0.8
83.01382	6.4
83.05025	78.8
85.02955	6.3
86.02471	3.6
87.00867	2.9
89.02444	9.5
95.01420	1.8
96.96023	1.2
97.02949	1.1
99.00860	0.9
101.02441	17.9
101.06075	1.0
113.02447	8.2
119.03510	3.0
125.02432	2.3
127.03996	3.2
127.11257	1.1
131.03471	0.6
137.02419	0.9
142.08749	4.0
143.03462	1.3
144.10289	1.3
145.05048	5.6
149.04536	1.9
151.11363	0.5
153.02020	0.6
161.04561	2.9
167.22763	0.5
169.12349	0.8
170.08217	3.8
179.05511	0.8
181.12367	9.0
188.09268	16.6
194.15500	1.5
199.13287	0.8
292.19189	0.7
304.19080	1.0
322.20193	2.4
332.13489	8.4
333.30515	0.6
340.21347	1.2
350.14520	17.1
392.15604	14.3
446.20111	2.4
456.75555	0.7
460.75259	0.6
466.24283	3.6
484.25485	11.5
502.26556	9.6
526.26453	3.7
544.27576	100.0
545.27490	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	544.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
66.38303	0.3
68.91205	0.3
77.55783	0.3
82.85056	0.3
87.63032	0.2
110.63210	0.3
123.04523	0.7
128.82463	0.3
151.04013	0.6
161.46342	0.3
183.73911	0.3
194.93552	0.3
325.73355	0.3
466.27209	2.9
470.33231	0.4
481.29547	9.3
482.30133	0.4
484.31616	0.6
525.11353	0.3
526.32965	0.8
529.31445	0.4
544.33783	1.4
545.21069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88927	0.3
52.19766	0.4
61.98826	100.0
69.43970	1.7
80.33630	0.4
91.67334	0.4
118.30982	0.4
340.06876	0.4
341.57239	0.4
466.27353	1.3
468.26080	0.4
481.29623	4.1
527.39709	0.5
544.30072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.4
62.38004	0.1
63.32382	0.1
69.91050	0.4
76.68173	0.1
79.95733	2.5
82.97642	0.1
96.96009	100.0
151.00357	0.4
178.99907	0.2
212.01472	0.1
255.02974	0.2
261.50018	0.1
271.02551	0.7
300.02652	1.0
301.03616	0.7
334.67856	0.1
356.99286	0.2
399.00287	1.4
447.09302	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	545.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.3
65.00328	0.8
68.96205	0.6
71.01370	2.0
71.44239	0.9
73.02939	1.3
74.80053	0.6
80.22850	0.8
80.96492	1.1
84.21162	0.7
85.02930	1.2
89.02451	1.8
96.95953	1.3
99.00861	0.9
101.02458	1.3
107.01360	1.6
109.02956	1.3
109.96101	0.6
113.02390	1.3
124.00504	0.6
124.01644	2.3
125.02431	2.3
128.72334	0.6
133.06532	0.6
134.03743	1.1
136.01718	1.0
137.02440	2.9
149.04584	1.2
150.03201	2.4
151.00372	7.6
152.01067	1.3
153.01999	0.8
163.00388	1.7
164.01143	1.4
165.05544	1.6
165.06876	0.6
169.01404	0.8
178.99820	5.1
192.00615	1.2
195.06630	1.8
214.02684	3.0
227.03502	1.1
242.02200	4.9
243.02951	1.9
259.02420	4.1
270.01727	5.4
271.02478	28.4
271.05603	1.6
286.08298	1.2
287.01974	15.2
288.02646	1.4
301.10815	1.9
311.00681	0.8
316.02203	86.5
317.02911	15.0
318.03024	1.0
326.99780	1.5
353.01785	1.0
357.01041	5.2
369.01093	1.0
398.01157	2.4
398.94354	1.3
398.96533	1.1
399.02020	20.1
399.95370	0.9
400.68729	0.7
441.02505	0.8
463.08813	100.0
464.09177	2.8
485.06580	1.2
497.18262	0.9
527.17810	1.1
545.00903	1.2
545.07776	4.9
545.19250	3.7
545.26862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68939	0.5
57.03431	2.1
59.01378	10.1
60.99300	14.1
61.98826	3.1
65.73306	0.5
66.91173	0.4
69.64981	1.5
69.65321	0.5
71.01379	5.8
73.02935	2.3
80.91667	1.2
81.03409	0.5
82.95442	0.5
83.01383	1.2
85.02934	2.4
87.00845	0.5
88.98799	100.0
89.02443	5.7
94.22887	0.4
95.01339	0.6
95.04987	0.5
96.96018	2.9
98.22641	0.9
99.00889	1.8
101.02439	4.5
109.02960	1.1
111.00872	0.7
113.02448	2.1
116.92826	1.4
119.03523	0.7
123.04493	1.1
124.01656	0.7
125.02440	14.3
125.21214	0.5
131.03516	1.5
137.02419	1.3
149.02466	0.6
149.04518	3.0
161.02419	5.6
161.04521	1.1
167.03481	2.1
169.01402	1.5
177.01909	1.4
177.05501	0.7
190.56348	0.5
191.05528	0.7
237.11238	1.5
251.07675	0.8
269.04532	1.2
279.12454	0.6
287.00522	0.5
287.05603	5.6
293.08768	0.9
305.06778	0.8
327.08478	0.7
383.24475	1.1
413.21866	1.3
443.15433	0.5
455.10202	1.1
485.09064	0.6
501.19632	1.0
503.18124	0.8
532.85278	0.5
544.99603	0.9
545.08966	0.7
545.18488	0.7
545.26129	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	545.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47138	0.4
57.03424	1.0
57.36010	0.4
57.69690	0.4
59.01379	3.1
60.99306	16.5
61.98818	0.5
71.01391	2.3
71.09870	0.4
73.02943	1.2
80.91676	2.2
83.01356	0.5
88.98801	100.0
89.02426	2.2
96.96017	4.0
99.00858	0.8
99.04504	0.7
101.02443	1.0
109.02939	0.8
113.02447	1.1
115.00364	0.4
119.03543	0.5
123.04466	0.4
125.02435	6.6
131.32513	0.4
136.85747	0.4
137.02443	0.9
149.02461	0.6
150.03246	0.4
151.03990	0.5
153.01898	0.5
161.02461	1.8
167.03513	1.2
169.01341	0.7
177.01913	0.5
179.03711	0.5
192.00682	1.5
193.01408	1.0
204.46771	0.4
213.07716	0.4
221.11758	0.8
238.48334	0.4
269.04666	0.5
270.65018	0.5
273.99759	0.4
287.05652	0.9
383.24521	0.9
409.06259	1.0
463.08820	2.0
545.10046	0.8
545.18414	0.6
545.26514	2.1
557.05865	0.5
557.49847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43755	2.3
59.01380	68.2
61.98830	13.7
68.47703	2.0
69.35249	7.6
71.01380	36.9
73.02953	13.5
76.46504	2.3
83.01381	5.6
85.02945	17.2
87.00878	6.9
89.02444	20.3
95.01409	3.6
96.96005	4.5
99.00868	4.7
101.02443	27.9
108.75185	2.3
111.00883	6.1
112.01720	2.5
113.02446	19.7
119.03465	6.6
121.02962	5.2
125.02412	4.3
131.03526	3.8
135.04556	2.6
149.04601	2.2
149.09685	11.6
161.04546	4.6
161.09752	3.5
165.09198	100.0
170.20313	2.0
173.09857	2.3
179.05664	2.7
179.10809	3.1
189.09222	6.4
191.10728	5.1
207.10164	10.1
212.72244	2.6
221.11877	3.6
249.11298	2.7
309.09818	2.6
309.13425	47.5
327.14484	88.3
328.14700	2.8
369.15521	66.8
371.62790	2.1
441.17557	10.2
459.18942	13.9
471.74139	9.2
472.25183	2.6
501.19785	88.7
502.20178	2.6
509.24277	2.9
544.77246	19.6
545.27582	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	545.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43755	2.3
59.01380	68.2
61.98830	13.7
68.47703	2.0
69.35249	7.6
71.01380	36.9
73.02953	13.5
76.46504	2.3
83.01381	5.6
85.02945	17.2
87.00878	6.9
89.02444	20.3
95.01409	3.6
96.96005	4.5
99.00868	4.7
101.02443	27.9
108.75185	2.3
111.00883	6.1
112.01720	2.5
113.02446	19.7
119.03465	6.6
121.02962	5.2
125.02412	4.3
131.03526	3.8
135.04556	2.6
149.04601	2.2
149.09685	11.6
161.04546	4.6
161.09752	3.5
165.09198	100.0
170.20313	2.0
173.09857	2.3
179.05664	2.7
179.10809	3.1
189.09222	6.4
191.10728	5.1
207.10164	10.1
212.72244	2.6
221.11877	3.6
249.11298	2.7
309.09818	2.6
309.13425	47.5
327.14484	88.3
328.14700	2.8
369.15521	66.8
371.62790	2.1
441.17557	10.2
459.18942	13.9
471.74139	9.2
472.25183	2.6
501.19785	88.7
502.20178	2.6
509.24277	2.9
544.77246	19.6
545.27582	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	545.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
59.01375	3.0
61.98813	0.3
69.23840	0.6
69.24234	1.1
71.01380	4.4
73.02936	0.9
78.95901	8.9
79.95750	2.5
83.01424	0.4
85.02956	1.2
89.02445	1.7
96.00886	0.5
96.96008	100.0
96.96928	17.1
97.02977	0.3
98.22596	0.5
99.00897	0.7
101.02428	2.0
111.00871	0.4
113.02430	1.3
118.96629	0.9
119.03507	0.3
122.03745	0.2
125.02435	0.6
132.98196	0.5
155.93933	0.8
156.98203	0.5
159.03102	0.3
160.97722	0.4
161.02443	0.3
161.04565	1.2
170.99805	1.1
182.99657	0.4
198.99290	1.1
221.11812	0.9
227.62898	0.2
251.16449	0.5
259.01352	0.8
315.18152	0.5
336.07236	0.3
383.20370	0.3
413.15045	1.3
452.29962	0.3
471.24332	0.3
544.77252	0.8
545.19067	6.3
545.27124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45055	0.2
53.71749	0.2
55.01860	0.5
59.01382	1.5
71.01373	3.1
72.99306	0.2
73.02927	0.9
78.95901	6.5
79.95734	2.7
83.01376	0.5
85.02953	0.8
89.02439	0.6
94.98079	0.3
95.01294	0.2
96.00871	0.3
96.96008	100.0
96.96925	14.7
98.90694	0.4
99.00877	1.0
99.57349	0.2
101.02443	1.4
111.80841	0.2
113.02447	0.9
116.15813	0.2
118.96647	1.7
125.02421	0.3
128.98737	0.3
132.98206	1.2
140.98717	0.3
155.93919	0.5
156.98175	1.4
158.99779	0.6
160.97722	1.3
161.04576	1.6
169.95461	0.3
170.99739	2.6
177.16541	0.4
180.98271	0.2
182.99765	0.7
186.99303	0.5
189.00923	0.8
198.99242	2.2
202.98679	0.3
210.99269	0.8
215.99748	0.3
217.00374	0.7
221.15450	14.8
221.65509	0.2
224.97246	0.2
226.75578	0.2
259.01343	2.1
269.10730	0.5
383.20883	0.6
413.15155	3.4
447.22379	2.7
447.27405	0.3
518.35510	0.2
545.19482	17.7
546.20105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2153
Annotation	Vittarin E
Peak:m/z	Relative Intensity
51.25391	6.8
59.01374	51.0
61.98819	46.8
70.35730	17.0
71.01388	27.6
73.02930	14.3
85.02934	8.7
88.68980	8.2
89.02448	36.4
98.22637	8.8
99.00864	18.8
101.02450	25.6
114.87150	6.7
131.03508	15.8
132.66724	7.4
132.80173	6.9
149.04539	42.4
161.04626	9.6
167.05861	7.8
191.05638	17.3
210.66052	7.7
213.56500	7.6
235.92332	7.9
251.07816	10.1
292.41440	7.7
293.08731	9.7
341.92834	8.3
356.57660	7.7
407.87787	7.6
449.17798	7.6
509.23462	9.3
545.21448	100.0
545.29004	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	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03442	2.0
59.01378	96.9
61.98824	10.1
63.20816	2.0
69.03458	6.9
69.43667	9.5
71.01379	85.0
73.02948	7.7
81.03454	7.6
82.95412	4.1
83.01396	4.2
85.02948	12.9
85.64012	1.9
87.00854	2.3
89.02443	100.0
92.83375	2.0
96.96009	2.2
97.02934	11.0
98.22704	2.1
99.00838	2.6
101.02423	17.0
111.48222	2.3
113.02462	11.0
118.96936	4.0
119.03542	3.2
125.01601	3.8
125.02450	36.1
131.03508	20.9
139.04051	2.5
143.03568	3.1
144.43832	2.0
148.08928	7.6
149.04549	35.6
161.04520	2.7
176.08440	23.5
191.05646	11.9
191.10767	46.0
233.06676	7.9
293.08762	66.6
304.80673	2.2
482.92059	2.3
540.13788	2.5
545.31903	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	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57693	0.6
55.01885	0.6
59.01376	17.7
61.98810	2.0
69.03429	1.2
69.09437	3.7
71.01006	0.9
71.01378	11.2
73.02942	2.5
83.01384	0.6
83.05013	1.3
85.02939	2.3
87.00878	1.2
89.02451	9.6
97.02924	0.9
97.06619	0.7
98.21859	1.3
101.02431	10.6
109.06588	0.7
111.08159	15.4
113.02445	5.4
115.09473	0.5
119.03471	2.3
120.41489	0.5
125.09637	0.6
127.07677	1.3
131.03450	0.5
141.09181	0.8
143.03465	0.6
151.11238	1.2
153.12842	1.0
161.04506	4.6
169.12317	6.5
179.05600	1.9
179.10780	1.0
181.12349	1.7
183.13878	1.5
193.12341	0.9
197.11819	80.6
198.12132	0.8
199.13354	6.6
209.11757	0.6
211.13383	11.0
223.17049	0.6
227.12880	2.2
247.20842	0.5
253.09276	50.2
263.20111	7.2
265.18091	1.8
273.18558	1.4
291.19641	24.5
309.20706	100.0
310.20975	2.7
545.30048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18867	0.5
57.03460	0.9
59.01378	16.2
61.98837	3.1
61.99127	0.6
63.74435	0.5
68.23620	0.6
69.03445	1.0
69.21717	0.7
69.28644	1.2
69.29052	2.4
71.01375	10.2
71.69463	0.6
73.02941	2.4
79.63644	0.7
82.05653	0.6
82.94771	0.6
83.01408	1.2
83.05032	0.9
85.02950	2.5
87.00872	1.6
89.02444	9.6
93.75240	0.5
96.95991	0.7
97.02955	0.7
101.02438	9.5
109.06621	0.8
111.08161	16.1
111.08945	0.9
113.02461	5.4
117.87347	0.6
118.96935	0.9
119.03484	3.1
127.07726	0.8
143.03563	1.2
151.11279	1.2
153.12883	1.8
161.04539	6.0
167.10760	0.9
169.12343	4.9
177.27179	0.6
179.04156	0.6
179.05644	2.5
179.10840	0.6
181.12338	1.8
183.13872	1.1
184.76955	0.6
193.12260	0.8
197.11826	77.6
198.12189	1.2
199.13387	5.0
211.13406	9.4
227.12875	1.3
247.17062	0.9
251.16409	3.2
253.09286	46.8
254.09756	0.7
263.20151	6.2
265.17953	1.7
273.18640	1.1
291.19647	28.3
292.19809	1.1
299.01816	0.8
309.20700	100.0
310.20981	2.0
376.28149	0.8
545.30798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01376	22.4
61.98819	6.1
69.03455	1.0
71.01374	9.6
73.02945	2.5
83.01382	1.2
85.02958	1.7
87.00907	1.3
89.02429	8.2
91.03978	1.2
95.05021	0.9
97.02942	1.0
98.22590	2.9
101.02462	11.2
110.51935	1.3
111.08167	14.1
113.02448	4.4
119.03523	2.2
125.02409	1.1
126.87126	1.0
143.03513	1.5
161.04555	4.4
169.12305	5.4
171.10289	1.8
179.05620	2.2
181.12328	1.3
183.13832	1.1
197.11819	72.4
199.13373	5.3
211.13371	8.6
227.12862	1.7
234.45874	1.0
253.09264	43.0
254.09770	1.0
263.20114	4.6
265.18149	2.3
273.18643	1.6
287.00723	1.1
291.19653	25.5
309.20694	100.0
310.20941	1.6
485.30847	1.3
545.28296	1.6
568.46490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3105
Annotation	Westiellamide
Peak:m/z	Relative Intensity
69.39719	6.7
108.02132	2.5
109.02936	5.6
121.07642	1.4
123.00871	1.8
124.01656	3.9
127.73124	1.7
128.82437	1.2
134.03728	2.9
137.02460	7.6
138.03275	1.5
139.00377	10.9
150.03218	1.8
152.01155	1.7
179.14384	2.0
186.34499	1.4
203.14383	2.2
207.13870	4.3
221.15399	3.7
233.15442	12.7
245.00887	1.9
249.14958	8.6
251.16455	9.2
267.12546	2.0
267.15970	2.9
277.14429	100.0
278.14789	2.8
295.15518	2.2
485.29016	4.3
494.30515	2.1
509.32043	3.2
513.28540	2.5
527.30127	2.8
545.31140	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3119
Annotation	Westiellamide
Peak:m/z	Relative Intensity
60.16150	0.5
65.95724	0.6
71.47179	0.5
82.69788	0.6
95.01413	0.6
109.02939	1.0
110.03703	0.7
123.00902	1.0
124.01694	0.7
137.02440	6.3
138.03290	3.0
146.83667	0.6
151.03981	2.2
153.01918	2.0
165.01991	0.7
166.02692	2.3
179.03436	3.9
181.61513	0.7
193.05022	1.0
207.13931	0.8
230.39940	0.6
249.14798	0.7
263.12692	0.7
277.14368	0.9
280.23505	0.6
291.16000	0.9
333.20712	2.7
340.41199	0.7
431.27896	0.8
437.23010	0.8
455.24405	2.4
459.27509	1.7
465.22922	2.1
469.25592	3.8
483.23856	10.3
487.27020	8.3
497.25412	3.7
499.26849	0.7
500.24188	1.2
515.26477	28.6
516.26514	1.6
530.28949	1.4
545.31171	100.0
546.31445	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	546.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.1
60.16809	0.4
61.98829	100.0
63.32048	0.3
71.01395	1.0
73.02933	0.7
74.73434	0.3
74.82333	0.3
85.02966	0.5
89.02459	0.7
96.96021	0.5
100.76134	0.4
101.02496	0.7
113.02473	0.7
115.68959	0.4
139.03979	0.4
161.04576	0.4
183.78807	0.5
202.09038	0.3
347.93350	0.4
439.23526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52989	0.6
56.48900	0.6
57.03442	0.8
58.53505	0.5
59.01380	58.3
61.98830	100.0
62.00768	0.6
66.01952	0.6
69.66915	0.6
71.01383	3.4
73.02932	1.0
76.02692	0.6
82.95406	0.7
83.01424	0.9
85.02985	1.8
88.98824	2.2
89.02453	1.4
99.00926	1.0
101.02445	3.2
113.02466	1.9
161.04631	0.9
222.12660	0.9
235.16965	0.9
272.38873	0.6
288.71869	0.6
379.21216	3.3
397.22513	2.2
439.23334	12.8
461.06903	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	546.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30872	0.5
59.01379	47.8
61.98829	100.0
69.86294	1.2
69.86666	0.8
71.01382	5.1
73.02948	3.5
83.01394	0.7
84.56886	0.5
85.02960	1.7
89.02450	2.9
89.92533	0.5
99.00892	0.9
101.02433	3.9
113.02429	3.0
119.03500	1.5
143.03493	0.6
161.04568	1.9
179.26346	0.6
179.73000	0.6
203.05621	1.0
217.16077	0.7
252.16965	0.6
364.37115	0.6
379.21323	1.8
397.22379	1.7
439.23212	6.2
473.32553	0.7
545.26825	0.8
545.77423	1.0
546.26483	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	546.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	40.6
61.98828	100.0
69.22504	4.5
71.01377	3.6
73.02954	1.1
80.91672	3.0
82.95414	7.3
85.02950	1.5
93.03481	1.0
96.96031	3.5
98.21851	1.7
101.02441	2.6
113.02435	1.3
113.93562	0.8
125.02439	1.1
137.02510	1.3
145.79195	0.8
155.93855	1.0
161.04546	0.9
162.65845	0.8
238.16028	0.8
379.21262	3.0
397.22357	3.8
439.23318	6.5
519.22040	0.9
527.52734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36493	0.7
58.77140	0.7
61.98827	100.0
67.04681	0.7
69.63161	2.4
72.94985	0.6
73.94860	0.7
83.80050	0.7
98.22575	1.4
100.50835	0.7
109.02969	1.6
112.92440	0.8
137.02489	1.5
151.04018	1.6
214.53418	0.8
230.33559	0.8
242.85854	0.7
296.90036	0.8
427.31308	0.8
468.25348	3.4
483.27515	24.1
483.34277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21914	0.4
54.26604	0.5
56.35841	0.5
61.98827	100.0
70.44975	0.5
77.90001	0.5
81.03477	0.8
104.04091	0.5
108.52746	0.6
125.02440	0.6
137.06117	2.8
150.67880	0.5
152.75473	0.6
161.75732	0.5
162.83972	0.9
167.66710	0.5
211.56779	0.5
232.22073	0.5
280.90723	0.6
334.03537	0.5
483.31244	0.8
508.31873	1.8
510.17316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46025	0.7
61.98829	100.0
65.57175	0.8
67.97887	0.8
69.25896	1.8
69.26283	2.3
91.69193	0.7
98.21862	1.5
99.24844	0.7
99.25542	0.8
135.65221	0.8
160.84219	2.8
168.57642	1.0
209.21179	0.8
468.28796	1.8
483.31125	2.3
546.31628	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	547.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71959	0.5
55.01859	1.5
57.03441	1.9
59.01377	18.3
60.76251	0.6
66.95920	1.8
68.99809	0.8
69.03456	1.0
71.01379	32.4
71.34765	0.7
71.97938	0.6
72.99317	0.8
73.02945	13.4
75.00862	1.4
81.03471	0.8
82.95412	81.8
83.01380	5.3
85.02948	14.2
87.00881	2.8
89.02438	8.8
95.01374	1.9
97.02943	3.1
99.00871	8.1
101.02440	24.0
106.35165	0.6
108.02182	0.6
113.02441	11.6
114.08476	0.6
115.00375	1.3
115.04005	1.9
119.03484	0.7
122.23501	0.7
124.01640	1.1
125.02444	5.0
131.03510	1.7
137.02475	1.1
137.97849	0.6
143.03462	1.7
149.04543	2.5
151.00356	3.8
159.02956	3.1
161.04549	12.8
164.01212	0.9
175.02525	1.5
178.99896	3.1
191.05586	0.6
203.03389	1.0
211.05733	0.6
214.02747	2.3
223.13425	2.5
233.06738	3.0
242.02193	2.5
243.02953	1.6
253.18163	3.0
259.02451	1.9
270.01709	2.5
271.02457	15.5
287.02002	9.7
288.02444	1.2
293.08759	2.7
316.02209	54.3
317.02927	12.1
318.02875	1.4
385.18738	6.4
401.01932	2.3
415.23358	8.0
463.08798	65.1
464.09204	3.4
465.09372	5.7
519.48840	0.7
547.27582	100.0
548.27673	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	547.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01368	3.3
60.99303	4.9
61.98817	0.7
69.03469	0.7
70.12701	1.0
71.01375	1.9
73.02945	1.0
81.03481	0.6
83.01381	0.7
85.02964	0.9
87.00874	0.5
88.98801	29.0
89.02453	1.7
94.09258	0.5
96.95998	0.5
97.02934	1.1
101.02423	2.3
105.03500	0.4
109.02945	0.8
113.02437	0.9
119.03489	1.1
121.02969	0.5
123.00900	0.9
124.01619	0.7
125.02440	48.6
126.02760	0.5
131.03508	0.6
137.02452	1.7
139.03998	0.9
149.04597	0.6
153.01978	0.8
160.97313	0.4
161.02438	3.6
161.04547	0.5
161.08244	1.1
165.01944	1.1
167.03526	2.1
169.01414	100.0
170.01701	0.6
177.01894	1.6
179.03473	1.0
193.01442	1.4
219.06685	0.7
221.06569	0.7
263.07703	0.6
269.04416	1.2
287.05576	1.3
305.06573	5.6
331.04651	1.2
385.15088	0.8
457.07745	10.6
547.20282	1.0
547.27533	3.0
565.53595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01367	1.8
60.99308	5.7
67.43284	0.6
69.55801	2.7
71.01389	1.8
87.05412	0.5
88.98804	29.7
89.02428	0.9
96.95975	0.7
97.02955	1.2
101.02464	1.7
113.02465	0.8
123.00873	0.7
125.02444	44.9
126.02800	0.6
137.02419	2.0
139.03957	0.7
161.02364	3.5
165.01952	1.1
167.03535	1.0
169.01424	100.0
170.01707	1.1
178.88719	0.8
179.03430	1.0
193.01482	1.8
219.06531	0.9
223.09711	0.9
269.04535	1.5
287.05710	2.4
291.05527	0.6
305.06723	5.0
319.04581	1.0
331.04617	1.4
415.23428	0.9
457.07733	11.8
461.22015	0.6
547.27527	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	29.6
61.98823	31.2
64.87511	1.6
70.32519	2.2
70.32850	2.7
71.01364	6.5
73.02937	2.8
76.67443	1.6
82.95398	2.9
83.01360	1.7
85.02932	2.4
89.02454	2.3
94.22330	1.7
101.02416	3.4
101.06087	10.5
111.75564	1.6
113.02467	2.1
124.01630	3.6
125.02455	2.8
133.49483	1.8
137.02429	2.7
145.92079	1.8
151.00342	2.2
153.01860	1.8
155.63860	1.8
171.10181	1.6
178.99834	3.4
179.03600	1.7
192.86877	1.7
202.80672	1.7
213.01854	1.9
214.02757	7.1
242.02240	5.9
243.02905	4.1
253.02489	1.6
259.02475	7.7
270.01587	6.5
271.02457	42.8
271.05270	2.9
287.01959	25.8
315.01501	7.7
316.02225	100.0
317.02841	2.8
415.26712	1.7
465.06787	1.9
487.32687	6.5
547.14514	68.2
547.31073	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	547.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05977	0.9
55.44785	0.9
59.01379	13.1
61.98821	4.1
69.03462	1.1
69.77071	3.0
71.01379	4.9
72.99317	7.2
73.02946	3.1
75.00867	1.2
81.03456	6.2
82.95418	1.3
83.01374	7.0
85.02966	2.8
87.00883	5.8
89.02457	2.9
90.09206	1.0
93.03458	1.2
95.01404	1.3
95.05060	4.5
96.96023	2.3
97.02966	3.9
99.00893	1.7
99.04522	1.6
101.02448	3.5
108.02182	1.1
109.02934	2.7
109.06629	1.2
111.00859	2.8
111.04521	2.6
113.02467	3.4
113.09734	1.1
115.07652	1.5
116.50268	0.9
116.92876	1.2
117.34476	0.8
121.02951	2.2
122.03707	1.2
123.04518	7.9
124.01629	1.0
125.02455	10.4
135.04535	1.5
137.02475	5.7
137.06107	3.3
139.04010	4.9
139.07645	8.6
149.02495	1.3
151.03998	2.4
155.03526	1.0
163.03963	1.6
163.11191	1.0
165.01898	1.0
165.05557	2.0
167.03479	17.5
179.03474	2.0
179.10754	8.2
181.05032	1.2
181.08704	1.2
191.10782	1.3
192.00606	2.0
193.12308	3.2
195.10248	2.5
197.04620	2.7
207.10150	1.2
209.04546	20.2
217.12354	1.6
219.10298	2.6
221.08250	1.8
223.09737	9.9
233.11694	1.4
235.09740	3.3
237.11288	1.3
239.05608	9.0
249.11313	3.9
265.10770	19.1
269.06830	1.7
277.10751	7.4
289.10944	1.0
291.12354	1.8
295.11740	6.7
305.10052	1.3
307.11862	100.0
308.12164	1.3
319.11856	4.6
337.12891	66.3
338.13358	1.8
349.13010	4.6
367.13956	23.2
379.13675	1.0
391.13943	1.2
409.15067	7.6
421.15292	1.0
427.16031	14.6
439.16019	5.3
443.22592	2.1
457.17062	2.4
461.23767	1.4
485.23907	1.5
503.24979	24.3
529.19135	1.8
547.20361	12.5
547.28131	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01380	58.4
60.99301	2.8
61.98823	11.2
69.03461	1.6
71.01386	14.0
71.44326	2.1
73.02949	11.0
81.03456	5.9
82.20403	1.3
83.01394	6.1
85.02940	5.3
87.00872	2.4
87.69587	1.3
88.98808	18.1
89.02454	5.6
93.03465	2.0
95.01376	2.5
95.05031	4.5
96.96034	7.7
97.02946	4.9
99.00901	2.4
99.04527	1.9
101.02421	8.4
107.05081	1.8
108.02154	1.4
109.02945	3.0
111.00892	2.2
111.04527	2.4
113.02450	8.1
115.07632	1.6
121.02974	2.5
123.04510	8.9
125.02454	13.3
135.68886	1.4
137.02446	4.0
137.06036	1.7
137.09723	1.5
139.04016	3.6
139.07664	6.6
147.04538	1.9
149.02444	1.5
149.04575	2.2
151.04019	3.2
161.02496	1.8
161.04535	1.4
163.04114	1.7
165.01900	1.9
165.05547	2.0
167.03496	19.6
169.01404	3.1
173.07129	1.3
177.09180	1.6
179.03485	2.5
179.10747	6.2
181.05174	2.0
188.25734	1.1
193.12257	2.6
195.10320	3.2
197.04584	2.3
198.27917	1.4
207.10159	1.5
209.04555	19.2
217.12343	1.8
221.08229	2.2
223.09727	9.5
235.09689	3.2
236.10071	1.5
239.05563	9.6
249.11320	3.8
265.10767	19.4
277.10751	9.9
291.12308	2.7
295.11972	8.2
305.10162	1.8
307.11874	100.0
308.12018	2.3
319.11911	4.0
337.12915	78.4
338.13162	2.1
349.12396	3.3
367.13992	24.0
379.14005	1.6
401.21991	2.7
409.15106	8.4
415.23508	1.4
427.16052	22.1
439.16183	6.8
443.23029	2.1
457.17264	3.3
459.27374	1.4
485.24161	1.7
503.25046	44.5
547.20215	17.4
547.27667	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	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.3
55.01873	1.3
55.05705	0.3
57.03444	2.2
58.00575	0.3
59.01378	12.8
66.95881	0.3
69.03421	0.6
71.01378	14.2
71.05001	0.4
71.45254	0.3
72.99295	0.5
73.02939	6.7
75.00873	0.4
81.03436	0.3
82.95412	15.4
83.01385	2.9
83.05005	0.3
85.02947	7.2
86.00055	0.2
87.00880	1.3
89.02441	5.0
95.01385	1.3
96.96007	2.0
97.02933	1.1
98.95587	0.4
99.00893	3.1
99.04448	0.3
99.92576	0.5
100.93354	0.4
101.02439	11.6
107.01355	0.4
109.02940	0.6
111.00890	1.7
111.04510	0.3
113.01698	0.4
113.02450	6.6
115.03967	0.7
115.92044	0.6
116.92855	2.8
119.03464	0.6
121.03007	0.2
122.03703	0.4
123.00869	0.5
123.04517	0.7
123.08134	0.9
124.01646	0.7
125.02431	4.9
126.02757	0.6
129.01901	0.5
131.03459	0.9
137.02423	1.1
141.01901	0.6
143.03490	0.8
149.03612	0.2
149.04564	1.9
151.00342	0.9
151.03955	0.4
159.02945	1.0
161.02374	0.5
161.04529	3.3
164.08455	0.4
167.03445	1.1
169.01395	0.6
177.01888	1.4
178.02286	0.4
178.99799	0.7
181.12344	0.7
191.05525	0.6
191.07045	0.3
205.08743	1.5
205.12294	0.5
214.02713	0.7
217.01387	0.5
223.10042	7.8
223.13367	49.6
224.13692	0.9
227.07132	0.5
233.06647	0.8
243.02861	0.6
246.27859	0.3
247.13344	0.3
253.18123	0.5
265.14426	0.5
270.01471	0.4
271.02463	2.5
281.13907	0.3
287.01962	1.3
287.05005	0.4
293.08762	0.8
303.05188	0.4
316.02188	8.6
317.02835	1.9
385.18637	100.0
386.19113	2.8
415.23346	4.9
463.08817	10.6
463.13834	0.2
464.08920	0.5
464.98083	0.3
465.09171	0.4
487.09311	0.7
509.22617	0.4
511.12555	0.6
547.20233	6.4
547.27612	21.4
548.27435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50799	0.4
57.03436	1.0
59.01379	17.8
59.91235	0.4
61.98832	3.0
71.01381	4.6
72.99308	25.5
73.02946	1.7
75.00867	0.5
83.01392	1.4
85.02946	3.2
87.00878	19.1
89.02434	1.1
95.01379	0.7
96.96033	0.5
99.00871	1.4
101.02443	4.0
106.87037	0.3
111.00934	0.6
112.63026	0.4
113.02450	1.4
123.00867	0.5
124.01645	1.2
125.02457	3.1
133.20641	0.4
134.90501	0.4
137.02454	0.7
137.09589	0.5
142.02768	0.4
159.02994	0.4
161.02513	0.7
169.01434	1.0
180.65016	0.4
215.47215	0.4
229.18088	0.5
253.18138	0.8
281.17670	3.2
299.18585	0.9
323.18484	0.7
325.01523	0.6
337.12860	0.5
351.99387	0.4
397.22482	0.6
403.23923	0.4
415.23370	1.3
425.21811	3.8
443.22870	10.9
444.23044	0.5
447.26590	0.4
461.23935	4.6
485.16776	0.7
485.23907	15.1
503.24994	100.0
504.25470	3.2
547.28748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50395	1.6
57.03441	2.2
59.01375	100.0
61.98827	6.3
67.91882	1.8
69.03440	8.0
69.65205	6.7
71.01376	92.7
72.99311	3.2
73.02939	9.0
73.69157	1.4
79.01885	2.1
81.03439	4.1
83.01386	5.1
85.02953	11.3
89.02437	90.9
92.84854	1.8
97.02934	14.6
99.00900	1.9
101.02435	18.8
101.11764	1.9
113.02434	9.8
119.03487	5.2
122.03744	12.7
125.02441	37.5
131.03491	21.9
136.31137	1.9
143.03448	2.6
149.04538	40.0
154.39722	2.0
161.04559	4.0
178.10016	9.8
191.05544	10.8
193.12315	36.8
233.06636	7.7
293.08783	81.9
364.12613	2.0
501.56326	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	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38283	0.1
55.01875	1.3
57.03448	1.6
59.01378	100.0
60.01724	0.3
61.98832	1.7
69.03458	0.6
71.01380	10.7
71.05034	0.4
72.99294	0.3
73.02942	3.9
73.03352	0.2
75.00854	0.2
83.01388	4.8
83.05029	0.2
85.02950	7.9
86.00114	0.5
87.00880	0.7
88.90606	0.1
89.02459	0.5
95.01395	1.1
97.02946	1.0
99.00877	1.5
101.02441	7.7
111.00859	0.9
112.01639	0.3
112.60186	0.1
113.02444	6.2
115.04013	0.5
116.39478	0.1
124.01611	0.2
125.02455	1.2
125.09767	0.2
127.11249	0.2
129.02020	0.4
143.03506	1.3
153.01852	0.2
159.02979	0.8
161.04565	2.0
171.13916	0.3
197.15446	0.8
206.02089	0.1
260.30087	0.1
278.72864	0.1
279.23218	0.3
295.23013	0.2
295.26334	0.3
297.24329	4.1
309.24451	0.2
316.02261	0.2
325.27463	0.5
343.28506	7.0
385.29492	0.3
401.24371	0.1
413.28845	0.2
421.29163	0.2
428.22433	0.2
439.30530	0.6
452.01941	0.2
457.31665	0.7
469.31967	0.2
487.32742	44.5
488.33221	1.1
505.33817	23.8
506.33618	0.9
547.33777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89510	0.2
57.03446	0.9
59.01358	0.3
61.65438	0.3
61.98829	100.0
66.07166	0.2
69.27973	0.7
71.11706	0.3
82.95411	0.4
96.98246	0.2
98.52864	0.2
107.70316	0.2
113.35571	0.2
125.02448	9.5
130.15674	0.3
137.02435	0.6
161.02448	4.3
161.03687	0.3
177.05565	0.4
197.04613	1.2
218.69771	0.3
223.13434	0.4
287.05612	2.3
361.03085	0.3
385.18735	0.4
386.19302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01357	0.4
61.98827	100.0
69.11421	1.3
69.11826	0.7
71.01408	0.3
79.39109	0.3
83.01381	0.4
89.02473	0.3
95.05056	0.4
105.03461	0.8
121.03241	0.3
125.02441	23.0
137.02501	1.0
154.34824	0.3
161.02443	9.6
162.48111	0.3
165.01961	0.6
177.05653	0.4
201.05525	0.5
239.89986	0.3
269.04666	0.9
287.05606	6.1
485.11536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.9
60.25405	1.0
61.98827	100.0
70.79986	1.9
71.01380	5.6
73.02959	1.6
76.18131	1.0
85.02938	2.5
89.02449	4.1
97.03007	1.1
100.21477	1.1
101.02444	2.9
106.06623	5.6
122.03721	1.1
125.02437	1.9
134.06117	2.2
141.11955	1.1
149.04515	1.0
150.11702	0.9
152.07167	1.2
160.04002	7.8
161.04639	1.2
194.12471	1.3
239.08215	1.3
249.10417	2.9
251.08308	5.6
252.09100	8.4
253.09756	6.6
263.08157	2.1
265.09848	4.1
267.11389	3.3
271.09833	1.2
277.09827	2.5
278.07144	2.3
279.07776	11.2
280.08630	1.9
293.09042	9.0
295.10843	14.0
321.08771	35.3
339.09827	30.7
399.23871	3.7
441.24899	9.1
454.13992	2.9
472.15237	10.3
498.13168	6.2
516.14081	56.8
517.14362	2.9
548.16089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67335	1.3
55.01881	2.6
55.24024	1.1
57.03431	2.8
58.00567	1.4
59.01381	46.5
61.11810	1.3
61.98830	100.0
69.24772	8.0
71.01379	21.5
73.02943	6.9
82.95422	2.4
83.01385	3.0
85.02934	8.9
86.00092	1.6
87.49162	1.4
88.98792	2.8
89.02454	10.1
95.01370	2.5
98.21926	2.3
99.00866	4.6
101.02434	12.6
102.02823	1.2
111.00866	1.9
113.02435	6.7
119.03476	2.3
124.01662	1.7
125.02433	9.4
126.48294	1.5
137.06053	1.8
148.00679	1.4
151.04036	1.6
159.02927	1.2
179.05565	1.6
219.13995	1.9
223.09776	2.1
223.13301	4.3
224.10086	2.7
224.13768	3.9
237.14952	56.1
338.13129	2.3
381.19196	26.1
382.19293	2.2
385.18579	1.7
386.19177	2.0
399.20193	54.1
415.23407	1.7
416.23721	3.0
441.21240	70.6
442.21674	2.0
482.23740	1.7
537.74304	1.7
547.27844	2.7
548.28564	12.9
549.25208	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	548.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37272	0.3
56.39190	0.4
59.01379	9.6
61.98829	100.0
71.01359	0.6
71.21706	0.4
76.79214	0.3
79.62211	0.3
85.90620	0.3
101.02467	0.4
146.28517	0.3
181.97710	0.4
273.11401	0.4
371.18753	0.4
382.88419	0.4
399.23935	0.7
441.25220	1.3
449.85391	0.4
548.22430	0.5
549.23596	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	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.2
60.01702	0.8
60.43907	0.8
61.98826	100.0
67.40089	0.8
71.01376	4.7
71.27070	0.7
71.47890	0.9
73.02942	1.4
74.02468	3.9
78.13013	1.0
83.01369	0.8
85.02959	2.7
87.26434	0.8
89.02454	1.7
92.18097	0.7
97.88786	0.9
101.02435	4.2
113.02439	2.2
125.02431	1.6
161.04555	1.8
191.92065	0.7
193.01346	1.5
295.10608	0.9
306.07901	0.8
321.08679	2.5
339.09778	1.6
399.23752	1.8
441.24994	5.1
462.27078	1.1
468.68506	0.9
488.32913	1.2
504.28116	5.7
505.33704	1.4
506.34146	1.6
516.14313	4.3
549.23212	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	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74795	0.5
59.01072	1.0
59.01380	28.7
61.98830	100.0
66.97097	0.5
69.22272	1.6
69.22670	1.1
71.01394	2.5
73.02972	0.9
75.76436	0.5
75.76925	0.5
85.02959	0.7
98.21825	1.0
101.02456	1.4
113.02470	0.9
125.02514	0.6
161.04565	1.4
177.09953	0.5
195.85693	0.6
240.37402	0.6
251.30214	0.5
258.05286	0.6
399.23938	2.1
430.13474	0.6
441.24969	6.0
543.94141	0.5
548.61414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76766	1.1
55.48623	1.2
58.17440	1.3
59.01379	37.6
61.98830	100.0
70.45914	2.6
71.01384	3.1
73.02934	1.6
89.02430	1.9
96.45573	1.3
101.02458	2.3
113.02471	2.4
173.39520	1.2
189.56821	1.4
204.18384	1.2
287.09402	1.4
441.24869	4.5
475.80154	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	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73219	0.5
59.01376	45.8
61.98827	100.0
70.96597	0.6
70.96938	0.6
71.01370	3.3
73.02949	1.8
83.01357	0.7
85.02966	1.7
89.02453	2.1
101.02462	2.3
106.06618	3.4
106.71353	0.5
108.61161	0.6
113.02444	1.7
125.02446	1.2
131.03619	0.5
134.06107	1.3
160.04066	3.0
161.04604	0.7
167.03511	0.5
184.79295	0.5
201.61382	0.6
234.35077	0.6
249.10245	0.7
251.08344	1.5
252.09003	2.8
253.09892	2.3
262.07437	0.5
265.09915	1.4
267.11395	1.7
277.09824	1.1
278.07016	1.2
279.07745	3.8
293.09235	2.6
294.09213	1.0
295.10889	4.8
321.08777	14.9
339.09836	11.2
371.18600	0.7
399.24039	2.8
427.00830	0.6
440.93927	0.6
441.24991	7.4
472.15134	3.0
498.13318	2.1
502.65930	0.6
516.14099	21.1
516.21771	1.1
517.14520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.73902	0.4
69.51078	1.9
119.79584	0.5
137.02425	0.6
162.16966	0.5
229.64825	0.4
245.26932	0.4
333.20709	3.7
470.30258	0.6
485.33127	1.5
541.30389	0.5
549.28857	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	549.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32748	0.2
55.01877	0.4
57.03445	0.3
57.50548	0.2
59.01376	7.0
65.27478	0.2
67.07562	0.2
69.03437	0.3
71.01380	1.9
71.43991	0.3
73.02948	1.9
75.00877	0.4
81.85578	0.2
83.01411	0.6
85.02956	1.0
87.00864	0.4
89.02444	1.7
95.01386	0.3
96.96011	0.5
97.06569	0.3
99.00868	0.3
99.92580	9.7
101.02437	2.5
109.02953	0.7
113.02429	0.8
114.93405	0.3
116.92855	100.0
117.01906	1.0
117.92883	1.4
119.03488	0.2
123.00849	0.3
124.01677	0.2
125.02444	1.9
131.03487	0.9
143.03477	0.2
149.04535	0.3
151.00313	0.2
153.01923	0.8
155.02913	0.2
161.02422	0.3
161.04561	0.4
169.01408	0.9
191.05591	0.5
192.00674	0.6
207.03040	0.2
227.03627	0.3
235.03050	0.2
253.77148	0.2
255.02904	0.5
260.07050	0.2
283.19214	0.6
284.03110	0.6
285.04001	1.0
301.20267	0.3
429.24734	0.3
431.09628	0.8
445.24457	0.4
463.25433	1.0
465.68134	0.2
475.05777	0.2
504.25342	0.6
505.26590	7.0
548.28223	1.1
549.22223	2.9
549.29791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19291	0.3
59.01370	0.6
61.98828	0.4
69.52414	0.9
69.52787	0.6
77.03966	2.0
77.04357	0.3
78.34225	0.3
98.22572	0.6
121.02956	100.0
122.03253	0.8
165.01929	50.0
166.02243	0.4
181.06526	2.8
197.04460	0.5
197.06009	2.7
207.04503	0.8
225.05566	1.4
234.36237	0.3
257.09738	0.7
268.57855	0.3
269.07095	0.4
278.56839	0.3
285.00699	0.3
313.07251	0.9
357.06046	0.8
383.07855	0.6
389.16647	0.4
401.08411	0.3
411.14151	0.4
417.09879	1.9
505.11432	1.8
549.10413	36.8
550.10907	1.2
551.25342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14239	1.3
59.01379	14.8
60.19318	1.2
60.99307	13.9
69.29836	2.8
69.30234	3.3
71.01383	9.2
72.99300	1.8
73.02953	4.4
75.00864	3.0
84.95144	1.1
85.02971	3.2
87.00880	4.4
88.00417	1.7
88.98806	100.0
89.02441	47.6
95.01386	3.8
96.96008	10.2
101.02466	5.9
111.00920	1.3
113.02441	4.0
123.00890	4.4
125.02438	3.2
139.00418	1.5
141.09164	1.7
157.15646	1.3
163.00450	1.5
166.99858	4.3
167.54198	1.2
172.04118	1.4
190.99910	4.2
192.00594	11.2
193.01445	1.9
204.06691	2.0
207.03000	3.0
221.00847	1.8
232.06219	1.3
233.00908	1.7
267.07404	2.0
295.10886	1.2
297.12439	4.4
309.12399	1.4
325.12024	3.7
339.13412	2.3
353.11285	3.9
354.54272	1.3
355.12921	5.4
363.72623	1.2
397.10098	1.8
399.12317	1.5
407.18619	1.4
429.13031	2.2
431.14359	1.4
477.06738	19.0
487.21271	1.6
517.14355	3.1
549.16266	34.0
549.29456	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	549.1824
Annotation	Genipin 1-beta-gentiobioside
Peak:m/z	Relative Intensity
53.53902	0.4
57.03442	0.6
58.00565	0.7
59.01377	30.7
60.94204	0.4
67.49990	0.3
70.91228	0.5
71.01380	18.3
72.99284	0.7
73.02939	1.0
81.03445	0.8
82.95441	0.4
83.01375	1.1
83.05017	1.4
85.02937	2.6
87.00857	1.0
88.98794	1.5
89.02442	22.5
95.01384	2.0
96.96006	1.1
97.02927	1.1
101.02443	8.5
107.05068	0.6
109.02950	0.9
113.02449	7.0
119.03500	9.8
121.02948	1.9
121.06593	1.0
122.03765	4.0
123.04505	0.8
124.01658	9.1
125.02433	1.1
125.09662	0.4
131.03508	0.8
133.06583	0.8
134.03757	0.6
135.04463	0.9
135.08153	4.4
137.02422	1.4
137.06070	1.7
137.09737	0.5
138.03239	1.6
138.05652	0.4
139.07620	1.7
143.03522	2.1
145.06607	0.8
149.04533	1.0
151.03996	1.4
153.09218	1.7
161.04556	2.8
161.05948	0.7
163.07645	40.9
165.05524	1.2
167.03384	0.6
179.05582	9.1
179.07132	5.7
179.40398	0.4
181.08693	11.9
183.06664	0.6
189.05522	0.5
197.08177	1.7
207.06616	26.4
208.06868	0.4
209.04671	0.5
223.06145	0.5
224.06850	1.6
225.07672	100.0
226.07970	1.4
239.05577	0.5
267.08688	0.5
272.53180	0.4
387.12943	83.4
388.13309	1.6
505.22580	0.5
549.18256	4.6
549.25879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.9
59.01381	79.3
69.13071	16.8
71.01379	45.1
72.99298	3.8
73.02955	9.7
75.00874	9.9
85.02954	22.4
87.00874	7.3
89.02444	40.3
95.01394	6.9
99.00884	12.8
99.04517	21.7
101.02440	34.7
103.00420	3.1
111.60683	2.8
113.02465	24.0
117.01920	3.4
119.03503	12.8
121.02934	4.6
123.00873	6.4
123.04451	3.1
125.02438	21.1
131.03499	3.9
143.03537	4.7
149.04564	4.5
149.17250	2.8
151.04013	5.8
161.04546	5.6
165.09178	64.0
177.01947	4.2
179.05612	7.0
179.07008	3.1
179.42731	2.8
191.00049	3.8
192.00543	17.8
193.01233	3.5
207.03055	3.6
221.00847	3.1
221.06647	7.8
249.06116	11.3
263.08014	3.2
267.07184	7.8
323.09924	22.8
327.14520	100.0
349.11343	6.9
453.70230	3.2
477.06747	24.6
505.22742	6.5
549.21765	90.8
549.29156	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
57.03446	1.9
59.01381	100.0
61.03424	1.2
61.98825	5.2
69.63047	1.0
70.98383	1.1
71.01382	14.9
72.99312	2.2
73.02951	5.7
75.00893	1.4
75.62945	1.1
78.00273	1.1
82.95412	4.3
83.01400	2.8
85.02966	11.9
85.92729	1.2
87.00870	10.9
89.02454	5.2
95.01375	3.3
96.96001	1.2
97.02946	2.0
98.21890	3.3
99.00910	2.8
101.02441	11.4
104.93494	1.2
111.00855	1.8
111.04568	1.9
113.02450	10.7
116.92865	2.8
120.39608	1.1
123.00834	2.0
123.04523	4.9
125.02442	5.2
125.06091	3.3
135.04607	1.2
139.04039	1.6
141.05533	1.5
151.04010	1.4
161.04562	6.3
167.03545	1.5
169.01421	1.6
169.05067	1.5
177.01895	1.4
192.00699	2.5
194.88708	1.1
210.09039	1.8
221.00793	1.4
225.11299	2.3
270.97580	1.3
280.25214	1.1
282.07196	1.1
302.18481	1.2
331.17551	2.8
371.17044	3.7
417.23962	1.3
445.20786	50.5
446.21130	1.9
463.21912	17.5
471.81415	1.5
477.06790	3.9
505.22946	13.7
531.98871	1.4
549.21094	7.4
549.29071	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	549.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79835	0.4
59.01377	6.7
60.01694	0.4
61.98827	9.9
67.01871	0.5
70.86565	0.6
71.01371	1.4
72.99278	0.4
73.02935	0.6
78.01100	0.8
79.39210	0.4
82.00598	0.8
83.01381	0.8
85.02939	0.7
86.00094	0.8
89.02454	0.8
95.01357	1.0
96.99300	0.4
101.02436	0.6
108.02162	0.6
110.00131	0.9
111.00867	3.3
113.02470	0.4
123.00877	2.6
123.04467	0.3
124.01656	22.8
125.02439	1.1
127.00362	1.5
136.98813	2.7
137.02449	0.5
139.00360	3.9
140.01160	5.9
141.01900	0.5
150.91463	0.4
151.00325	2.0
153.01973	0.7
154.99829	0.5
163.74599	0.4
168.00629	9.2
169.01395	1.4
178.02618	0.7
181.01372	0.5
193.05069	0.6
196.15990	0.4
208.31572	0.4
221.11729	0.7
223.06078	2.2
284.18216	0.3
325.11044	0.5
337.10876	0.4
351.21698	1.3
357.17145	0.8
371.18588	32.6
372.18979	1.0
387.18170	4.0
442.25262	0.7
489.23685	0.4
513.27069	1.9
549.23389	100.0
550.23871	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	549.2471
Annotation	Tigloylseneganolide A
Peak:m/z	Relative Intensity
59.01363	7.0
65.85052	3.1
68.55035	3.4
71.01388	5.5
73.02957	3.9
73.76411	2.6
83.02678	3.1
89.02458	5.0
101.02447	4.9
109.70856	2.7
131.98566	3.2
176.74817	3.6
182.38284	3.0
381.23163	4.3
513.26935	51.3
528.10052	3.2
549.24664	100.0
550.25201	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	549.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22859	2.1
57.97133	2.1
58.07065	2.2
59.01357	4.0
68.95341	2.2
70.75684	3.8
70.76043	2.6
71.01382	7.4
73.02937	3.3
86.54491	1.9
89.02434	3.4
100.75638	2.3
101.02460	4.1
103.44894	2.8
113.02437	3.1
116.20232	3.0
142.31602	2.2
194.52333	2.5
213.46277	2.4
513.27045	49.3
527.40051	2.5
549.24725	100.0
550.25226	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	549.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01435	3.8
59.03497	0.3
61.98885	2.3
63.35566	0.3
66.06747	0.3
67.78825	0.4
69.12978	2.1
71.01455	1.5
73.02985	0.7
80.91679	2.4
83.01447	0.7
85.03026	1.0
85.07194	0.3
89.02513	0.8
95.01447	0.4
99.00972	0.4
101.02525	1.2
109.03008	0.7
113.02517	1.1
119.03553	0.5
123.00992	1.0
124.01649	2.3
125.02554	1.4
137.02531	1.3
137.06151	0.4
138.02356	0.4
138.03191	1.8
139.04099	1.5
139.11406	0.5
144.40114	0.4
145.03133	0.3
151.11392	0.4
153.02007	0.5
156.45909	0.3
161.04593	1.0
169.01483	0.6
183.10306	1.7
197.02251	0.4
221.04456	0.4
221.15582	0.6
241.11427	0.4
269.19095	1.0
287.20245	2.0
289.21762	1.1
307.22748	0.7
315.19791	0.5
333.20605	0.9
343.19305	0.5
349.11606	0.3
349.20047	1.6
351.21744	100.0
352.22031	3.0
387.18527	0.4
467.18976	0.8
505.25870	1.6
512.12952	0.4
513.26843	1.4
549.23895	23.6
550.24231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03446	1.7
57.80063	0.4
58.00594	1.7
59.01378	100.0
60.01718	0.7
69.40841	0.8
69.41228	0.9
71.01380	58.8
72.99292	2.5
73.02950	5.7
75.00903	0.4
79.99619	0.4
83.01382	4.2
85.02951	14.3
87.00420	0.4
87.00871	2.5
89.02443	65.8
95.01390	4.7
96.95996	0.9
97.02957	0.6
99.00885	1.7
101.02444	38.2
107.03468	0.5
113.02450	24.7
116.92879	0.8
119.03505	31.2
125.02448	1.6
129.01982	0.4
131.03514	2.9
137.09714	1.3
141.01695	0.9
143.03503	6.0
149.04559	2.8
149.09747	0.8
159.03021	1.1
161.04567	11.3
169.01411	0.6
179.05611	15.0
189.12856	1.2
207.13933	0.7
225.07787	0.5
225.15056	0.8
272.52261	0.5
301.09140	0.5
369.19278	1.7
387.20197	10.5
395.61673	0.5
490.60828	0.4
549.25531	58.9
550.25732	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2553
Annotation	Manumycin A
Peak:m/z	Relative Intensity
55.01869	2.5
57.03439	1.6
58.00591	0.5
59.01380	27.8
61.98830	2.4
69.03441	0.8
71.01379	25.3
71.45245	0.4
72.99297	0.9
73.02944	8.3
75.00867	0.8
81.03444	0.6
83.01385	6.5
85.02947	13.1
86.00102	0.9
87.00884	1.7
89.02438	5.4
95.01370	3.0
97.02924	1.5
99.00884	2.1
101.02444	19.8
103.00405	0.5
103.01495	2.5
109.02953	0.4
111.00868	1.1
112.01662	0.5
113.02448	9.9
116.34760	0.5
119.03495	1.3
121.12802	0.4
123.04550	0.5
124.04903	0.4
125.02465	2.4
129.01929	0.6
138.03281	0.6
153.01913	0.8
159.02927	0.9
159.35257	0.4
161.04506	2.5
162.23657	0.6
167.03481	0.7
168.03668	0.5
225.14882	0.8
307.11765	1.8
308.12231	1.7
309.12524	2.8
337.12930	1.4
338.13190	0.7
339.13361	1.9
343.21060	0.8
351.21756	4.1
369.14490	0.8
369.19308	1.1
387.20181	7.3
426.99438	0.4
427.71677	0.4
429.16568	1.0
463.06610	0.5
505.26450	1.2
513.27234	0.8
531.24451	1.6
549.25500	100.0
550.25690	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67818	0.5
55.01883	1.4
57.03442	1.7
58.00582	1.4
59.01377	100.0
67.01912	0.4
70.47676	0.4
71.01379	61.7
72.99317	1.8
73.02953	5.6
75.00854	0.6
79.48022	0.4
83.01381	3.8
85.02947	14.3
87.00878	3.0
89.02441	66.0
95.01376	3.6
96.96023	1.4
97.02969	1.2
99.00878	2.0
101.02442	37.6
109.02917	0.4
113.02450	26.8
116.92884	0.9
119.03500	31.0
125.02447	1.6
129.01987	0.5
131.03505	3.4
137.02475	0.5
137.09723	1.5
141.01718	1.3
141.93941	0.4
142.97545	0.6
143.03497	6.4
149.04488	2.6
151.04008	0.5
159.02954	0.8
161.04553	12.0
172.79761	0.4
179.05609	17.1
189.12842	0.8
207.13901	0.7
221.08182	0.5
225.07837	0.6
225.14944	1.1
237.07693	0.4
263.09195	0.5
331.08173	0.5
369.19217	2.5
387.20230	11.0
429.13867	1.1
489.20090	0.5
549.18793	2.6
549.25537	60.2
550.26019	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	549.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93886	39.5
61.98827	100.0
67.32041	37.3
70.97678	49.1
72.11916	34.3
72.17683	38.8
89.16470	43.2
94.15952	40.8
94.80396	40.3
98.72614	42.3
103.31330	43.9
106.73431	40.0
109.64659	42.0
123.83327	42.1
125.43616	38.3
160.84143	42.6
277.21634	57.8
290.96774	47.4
293.17517	55.8
304.91299	39.8
356.93478	38.0
520.78967	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	62.7
61.99361	31.4
62.26888	39.5
66.50792	40.8
69.89268	100.0
69.89611	59.2
76.04886	35.5
77.08691	41.2
82.86133	40.5
83.58561	41.7
90.01646	36.4
94.92535	39.8
98.22604	46.2
145.77469	32.8
160.84143	45.7
161.23486	40.7
162.83940	48.9
166.72650	34.6
211.95250	45.4
247.14864	39.8
263.36642	38.3
415.98062	42.1
549.27386	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	549.2854
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
55.88670	0.6
61.98851	2.1
69.34755	2.8
74.44164	0.6
109.02988	2.1
110.03743	0.8
113.48743	0.7
118.26880	0.6
118.82778	0.6
123.04513	4.7
124.01717	1.8
137.02440	23.5
137.03493	1.2
138.03246	2.4
151.04028	4.1
164.24710	0.6
166.02740	1.8
177.24084	0.5
179.03528	1.7
179.10834	0.7
186.88354	0.6
207.10291	2.8
233.15518	1.1
247.17039	0.8
261.14999	0.7
274.24612	0.6
275.16528	0.9
304.20367	2.6
305.21124	5.2
332.19843	1.1
333.20685	100.0
334.21030	2.2
549.28485	48.9
550.28296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30229	0.2
53.86735	0.2
58.63551	0.2
59.01381	2.4
61.98819	0.2
66.70357	0.2
71.01385	0.6
73.02946	0.5
76.22737	0.2
76.34160	0.2
76.53510	0.2
78.95914	1.1
79.95732	2.0
82.08963	0.2
82.95418	0.4
84.95115	1.3
85.02939	0.3
89.02447	0.5
95.97617	0.2
96.96010	100.0
101.02438	0.3
105.79657	0.2
113.02467	0.4
118.17369	0.2
125.02415	0.3
141.01768	0.2
161.08228	0.2
213.28503	0.2
231.48735	0.2
278.66159	0.2
316.02176	0.5
359.84860	0.2
414.49106	0.2
433.20779	0.4
463.08691	0.9
486.39279	0.2
549.21942	0.7
549.29486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48292	1.3
59.01376	12.7
61.98811	2.3
71.01387	2.0
89.02448	3.0
91.46474	1.4
98.21809	3.6
101.02415	2.9
107.14058	1.5
130.93430	1.6
131.00816	1.5
160.52632	1.4
253.09326	10.9
253.21712	100.0
549.26666	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.4
61.98827	0.8
70.75481	0.6
71.01389	2.2
73.02949	1.0
78.06564	0.5
78.95895	0.9
85.02925	0.8
89.02449	2.0
101.02459	2.9
113.02483	1.2
119.03474	0.9
123.00909	0.7
124.98842	0.8
133.05046	0.5
152.99655	0.7
161.04573	1.4
162.83943	0.5
235.08173	2.5
253.09276	12.2
253.21719	100.0
254.22038	1.4
266.61276	0.6
294.65720	0.5
467.19058	0.7
469.60715	0.5
505.28003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20366	0.4
55.01879	1.0
57.03440	1.5
59.01378	100.0
60.01723	0.5
61.98830	8.0
69.03453	0.7
69.45918	1.6
71.01383	9.8
73.02938	3.5
75.00861	0.5
81.03439	0.5
82.39254	0.3
83.01382	3.4
85.02946	7.5
87.00861	0.9
87.82838	0.3
89.02453	0.9
95.01384	1.4
97.02960	0.7
98.21935	0.5
99.00857	1.6
101.02446	7.5
111.00871	0.7
112.01617	0.4
113.02455	5.6
115.03978	0.4
116.92880	0.3
122.07986	0.3
124.01662	0.4
125.02441	1.5
129.60962	0.3
141.12846	0.4
143.03500	1.2
157.12354	1.0
159.03004	1.0
161.04558	1.4
221.12082	0.4
297.24454	0.5
299.25912	2.6
325.21725	0.5
327.28946	0.6
345.30118	4.7
441.32227	0.5
489.34305	51.7
490.34338	1.7
507.35330	20.5
508.35837	0.7
518.14374	0.4
549.15106	0.4
549.22375	1.5
549.36450	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	549.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73761	0.3
55.01880	1.2
57.03437	1.8
59.01377	100.0
60.01702	0.5
61.98827	5.4
69.03451	0.7
69.64424	1.0
69.64758	0.3
71.01376	10.4
72.99319	0.9
73.02946	4.4
75.00888	0.4
83.01389	4.3
85.02946	8.2
86.00108	0.5
87.00882	1.0
89.02425	1.1
95.01381	1.9
95.56610	0.3
97.02936	0.7
98.21981	0.6
99.00862	1.9
101.02441	8.1
106.06629	1.4
108.04610	0.3
109.02979	0.4
111.00884	1.4
113.02447	5.7
113.03153	0.7
124.01674	0.5
125.02464	1.7
129.01953	0.5
134.06082	0.6
143.03510	1.5
159.03046	0.5
160.04082	0.9
161.04570	2.4
171.13852	0.4
185.15439	1.2
194.91005	0.4
213.18674	0.5
239.08009	0.4
251.08231	0.6
252.08910	1.3
253.09523	1.6
254.10168	0.8
265.09601	0.6
266.10190	0.4
267.11319	0.9
270.12488	0.4
277.05942	0.4
277.09796	0.5
278.10269	0.4
279.07599	1.5
279.23370	0.7
279.75519	0.4
280.08096	1.0
293.09259	0.6
294.09625	1.2
295.10880	1.4
296.11191	2.2
299.25909	3.0
321.08716	3.0
322.09152	4.7
339.09723	3.0
340.10162	4.5
345.30054	6.7
372.11597	0.4
398.15088	0.4
430.17587	1.0
441.32233	0.8
455.14157	0.5
459.33005	0.7
473.15857	2.0
489.34329	56.0
490.34491	1.8
499.13358	1.4
505.27646	0.5
507.35364	23.2
508.35767	0.7
517.14447	12.3
518.14825	0.7
549.15918	0.4
549.24213	1.7
549.36902	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	550.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96429	0.4
55.01609	0.6
56.37929	0.5
57.73639	0.5
58.94802	0.5
59.01377	4.7
61.98837	2.5
65.39503	0.5
67.15517	0.5
69.19821	2.8
71.01359	0.7
80.05065	0.7
91.23341	0.6
92.05069	0.6
98.22681	0.5
101.02380	0.6
104.05074	1.1
106.03001	0.6
106.05921	1.1
106.06623	16.1
106.21333	0.5
112.79836	0.5
130.06613	1.3
130.92570	0.5
132.04543	1.6
134.06105	2.2
134.68813	0.5
137.02446	1.9
146.06100	2.0
150.05609	1.8
152.07173	1.0
157.76753	0.6
158.06123	4.1
160.07672	0.9
174.05624	1.2
178.05080	0.8
190.05133	1.0
191.29459	0.6
194.04581	0.6
195.09294	0.5
197.89014	0.5
209.10889	1.0
211.12346	0.7
223.08759	1.1
223.12415	1.7
225.10283	1.0
233.10686	0.8
235.08757	3.4
235.12370	0.8
236.09462	2.9
237.10306	5.5
238.08615	0.9
238.10974	1.0
241.13474	0.8
249.10271	7.3
250.10970	0.6
251.08092	1.5
251.11884	27.3
253.09778	1.0
254.10867	0.6
255.11372	0.7
260.09634	0.5
261.10333	1.9
262.07489	0.7
262.11133	0.7
263.08209	5.8
264.09009	29.3
265.09698	1.5
277.09796	8.4
278.10599	3.8
279.11377	100.0
280.11649	2.0
285.12399	1.8
295.10715	1.2
297.12494	2.1
305.09351	2.9
310.23792	0.5
311.13947	6.9
323.10394	8.9
334.67340	0.5
341.11469	3.4
355.13113	1.1
368.17822	0.6
370.15359	0.7
384.17392	0.9
394.15662	1.4
397.14221	1.4
412.16629	32.1
413.16891	0.9
414.14603	0.6
438.14542	1.1
444.19101	1.6
456.15634	58.0
457.15964	2.3
474.17023	1.1
486.06540	0.5
488.18323	8.2
500.14621	24.8
501.14838	0.6
518.15674	10.4
532.17316	7.7
550.17377	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	550.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68684	0.2
59.01358	0.2
61.98829	100.0
69.28475	1.1
83.03294	0.2
83.24191	0.2
85.84857	0.2
95.31214	0.2
98.21881	0.5
106.97434	0.2
119.58492	0.2
162.91783	0.2
179.95537	0.3
280.74332	0.2
469.86011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98828	100.0
71.00231	0.3
71.01385	0.3
125.02441	0.3
171.10350	0.2
411.45218	0.3
424.26917	0.3
550.24164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58632	0.6
61.98827	100.0
71.44743	0.6
111.68996	0.5
119.10924	0.6
125.87334	1.1
132.30142	0.6
133.92429	0.6
141.08040	0.6
156.74756	0.5
157.86281	0.6
160.84218	0.9
246.91318	0.6
347.73663	0.5
390.01755	0.6
454.90964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.09999	1.8
69.10421	1.9
83.66701	0.6
93.75777	0.6
98.21849	1.0
201.97067	0.5
392.00842	0.6
472.28967	0.8
487.30695	3.4
550.31384	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	551.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73225	0.5
55.01876	1.0
57.03471	0.8
59.01378	10.4
61.98818	0.9
63.88396	0.7
71.01379	6.7
72.99317	1.3
73.02945	1.5
75.88193	0.7
83.01383	0.7
85.02943	2.4
87.00877	1.2
89.02444	3.1
95.01368	0.7
99.00865	1.0
101.02429	1.6
108.02173	57.2
109.02954	15.3
111.00880	0.6
113.02472	2.0
116.92844	2.3
121.02956	25.3
123.04500	1.3
135.04536	1.3
149.02411	0.9
151.04002	0.7
151.45055	0.7
152.01152	100.0
153.01973	4.4
163.04022	3.1
172.05205	0.6
173.05988	0.7
177.01903	0.9
192.00633	1.8
193.01462	0.8
207.02983	1.9
209.36702	0.7
233.79881	0.6
240.51035	0.6
241.04912	0.9
254.47081	0.6
255.06628	0.7
297.06104	0.9
311.09259	1.1
313.10834	1.9
326.11469	1.6
341.13947	2.2
344.12585	5.0
347.07550	1.0
359.14975	12.1
406.43732	0.7
429.10361	30.7
491.11951	1.5
491.19189	31.0
492.19421	1.2
515.08441	1.4
551.14008	90.2
551.31213	2.3
552.14294	3.2
554.43372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03458	0.5
59.01385	2.2
61.98824	3.6
62.84766	0.4
69.03448	0.6
71.01379	2.4
72.99305	0.9
73.02934	0.9
81.03476	0.7
82.95400	0.6
85.02948	2.2
89.02441	0.9
94.98088	0.5
95.01416	0.6
97.02948	0.5
99.00891	0.7
99.50618	0.4
101.02448	1.7
108.02173	48.9
109.02959	12.0
113.02446	1.5
116.92767	0.4
121.02952	22.7
123.04476	0.9
125.02459	1.7
125.68542	0.4
133.03008	0.4
134.03726	0.5
135.04518	1.0
137.02431	0.5
137.06018	0.5
147.04562	0.5
147.08163	1.1
149.02374	0.4
151.04071	0.6
152.01151	100.0
153.01950	5.0
161.02391	0.7
163.03996	3.3
165.05510	0.6
167.03450	1.4
169.01514	0.4
175.04034	0.6
177.01941	1.1
179.03487	1.2
191.07161	0.7
192.00659	1.0
193.01366	0.6
197.04503	0.5
207.02986	1.4
297.06113	1.0
300.34424	0.4
315.07178	0.8
341.08560	1.3
359.14944	1.0
369.28653	0.4
389.15906	1.4
429.10339	29.9
430.10681	0.5
491.19894	1.7
515.07983	1.1
551.14014	84.9
552.14484	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	551.1766
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
57.03439	0.2
59.01377	1.8
60.99324	0.2
61.98830	0.6
65.00323	0.4
67.39259	0.2
69.22223	1.0
71.01381	0.4
75.00865	2.9
77.03970	0.2
80.02688	0.5
81.03448	0.5
85.02932	0.2
88.10872	0.2
88.98797	0.8
91.01889	11.2
95.01395	0.4
98.22604	0.5
101.02462	0.4
103.01472	0.2
105.03448	0.3
107.01381	0.4
107.05032	0.4
108.02173	16.8
109.02962	2.8
121.02930	0.7
121.29662	0.2
123.00883	3.0
124.01640	0.3
125.02424	1.6
135.00882	12.4
137.02460	2.1
147.11766	0.3
152.01151	13.8
153.01901	0.4
159.62572	0.3
161.02449	0.6
183.95764	0.2
197.06110	1.2
197.07687	0.2
199.07613	0.3
213.05571	1.1
215.07126	0.9
241.05103	0.3
243.06606	100.0
244.06998	1.9
287.05759	0.3
337.02371	0.3
389.20151	0.3
443.12088	0.5
551.17676	8.5
551.25165	1.8
570.34821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23626	0.4
53.55998	0.6
55.01879	1.0
57.03447	1.0
58.00591	1.2
59.01377	80.3
59.09632	0.5
61.98832	1.2
69.03453	27.9
69.42255	2.5
71.01379	40.8
72.99316	1.4
73.02943	21.6
77.07420	0.5
79.01884	14.2
81.03454	4.8
83.01390	4.2
83.05053	0.6
85.02944	18.2
87.00886	2.0
87.04505	0.8
89.02442	24.9
95.01387	2.3
97.02948	22.0
99.00875	2.1
99.04509	0.8
101.02440	35.0
103.04006	24.0
107.01384	28.3
107.05022	0.7
108.02172	54.1
109.02958	18.1
113.02431	2.4
115.04005	1.7
119.03501	11.5
121.02941	2.7
123.00900	1.8
123.08163	1.5
125.02438	44.2
127.03214	0.5
127.03999	2.6
131.03529	0.9
135.00879	47.3
137.02435	5.9
137.09746	0.8
143.03505	3.8
145.05054	4.1
150.03209	1.1
151.00356	3.2
151.04027	2.1
152.01147	100.0
153.01935	12.3
161.09746	2.8
163.06137	14.7
163.07516	0.9
165.02000	0.5
165.05571	0.8
169.06490	0.6
177.01932	0.5
179.10789	1.6
187.06183	0.6
195.06628	0.8
197.06093	6.3
205.07123	1.5
205.08725	4.8
213.05562	1.4
215.07069	0.8
223.09729	20.0
229.07204	0.6
242.05936	1.1
243.06598	50.2
244.06912	0.5
247.08197	9.1
302.18930	0.5
307.10406	5.4
385.15100	1.8
443.11911	70.4
444.12128	2.7
551.24988	8.4
552.25800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.4
58.90728	4.9
59.01376	60.1
61.98838	25.9
70.22238	11.3
71.01385	27.7
73.02932	9.7
73.64896	4.0
75.00880	6.3
83.01348	4.5
85.02953	13.7
89.02448	11.8
97.02948	4.3
98.21885	5.4
99.00906	5.1
101.02412	30.3
103.01475	27.0
113.02447	15.1
119.03464	4.6
120.06968	4.2
121.80620	3.8
123.93690	4.8
125.02434	13.8
132.87036	3.9
143.03450	4.5
149.02501	4.9
161.04521	22.2
167.03384	4.5
169.01430	10.0
176.08374	20.0
191.10760	73.8
203.10732	7.7
223.05981	12.1
247.09703	7.3
265.10834	13.9
278.05859	4.2
300.45532	4.7
323.09766	11.4
333.97610	5.6
369.41626	4.1
463.27307	4.4
470.23938	5.9
515.21265	100.0
551.18646	12.0
551.25861	40.5
555.11169	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	551.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	60.0
61.98830	32.1
65.25673	3.7
69.30649	20.9
71.01384	15.2
73.02940	7.5
80.91645	4.1
88.98809	15.6
89.02461	7.6
93.03484	6.8
101.02458	7.5
103.00349	8.6
103.01490	33.9
106.83984	3.7
109.02959	7.4
111.34467	3.5
113.02448	5.8
121.02985	3.9
124.01623	6.4
125.02438	27.5
133.84422	3.7
137.02443	19.5
138.03239	5.7
139.03987	7.9
149.02417	6.3
149.06050	3.7
151.04056	4.0
152.01187	4.8
153.01901	6.7
161.02483	6.5
161.04610	7.1
164.01170	6.6
165.01921	8.3
167.03445	7.1
169.01361	12.0
177.01944	5.0
179.05659	6.1
179.07083	30.2
183.04607	4.1
190.02699	4.9
191.07089	6.7
192.00650	100.0
193.01402	63.7
194.02077	4.6
206.02150	6.3
207.02992	37.3
207.10265	13.9
222.01666	5.1
223.06049	19.5
223.09645	4.8
234.01607	21.8
235.02538	6.2
249.04019	16.1
267.16006	8.0
327.07092	11.9
338.13852	3.5
353.23395	6.4
389.21799	4.8
515.28448	6.3
551.17877	92.2
551.25757	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72835	1.4
57.03435	2.0
59.01377	42.9
61.98825	5.5
69.56094	6.0
71.01382	25.6
73.02939	5.7
75.41221	1.3
79.47827	1.3
81.03475	1.9
83.01385	1.9
85.02967	10.8
87.00856	3.2
88.98779	1.5
89.02451	20.5
95.01355	2.4
96.96026	3.5
99.00867	1.6
101.02444	12.8
108.02179	6.2
109.02952	7.5
113.02451	8.3
119.03530	3.2
121.02917	2.9
123.04536	4.2
125.02482	9.2
125.03276	1.5
131.03505	1.4
149.04535	2.3
150.01469	1.6
151.12508	1.3
152.01152	15.3
153.01968	2.6
159.04521	2.1
161.04553	8.1
164.01224	1.3
164.34753	1.8
167.03482	13.1
169.01350	1.6
172.05298	1.8
173.06035	3.2
177.01808	1.4
179.05611	2.0
183.91992	1.5
187.07675	3.2
189.05501	3.0
191.07220	2.0
192.00648	5.0
193.01344	2.6
241.05086	3.3
250.16444	1.4
255.06595	2.7
281.08441	2.5
293.08859	5.3
295.09738	4.4
296.10556	1.6
299.09210	2.3
311.09137	3.0
313.10870	7.0
323.09702	1.4
326.11536	5.1
341.13910	5.9
344.12619	15.0
353.19736	2.9
359.14935	39.4
371.14990	2.3
389.16068	4.2
393.21741	1.6
407.92215	1.6
429.10287	2.6
491.19263	100.0
492.19785	2.8
500.05627	3.5
515.07996	3.4
551.13800	8.1
551.22327	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	551.2131
Annotation	Lyoniside
Peak:m/z	Relative Intensity
55.01874	1.0
58.08928	0.6
59.01378	28.6
61.98782	0.6
69.14739	3.1
70.35941	0.6
71.01381	15.7
72.99309	0.6
73.02924	1.5
76.52925	0.5
83.01379	1.8
85.02953	3.7
87.00854	1.7
89.02445	12.4
90.02715	0.5
94.34341	0.7
99.00890	0.7
101.02430	1.6
113.02438	1.1
115.04005	1.2
121.02950	1.1
123.00901	3.9
123.04488	0.5
123.30261	0.5
124.01676	3.3
131.03461	0.9
137.02426	1.2
138.03229	10.8
139.04012	3.0
149.04596	1.1
153.04416	0.9
153.05577	9.2
159.04471	1.0
168.26895	0.6
174.03162	0.8
175.03949	1.5
181.97267	0.5
186.03214	0.8
187.04012	5.0
188.04890	1.3
189.05525	1.5
201.05469	0.8
202.06311	4.5
203.07117	3.8
204.04314	0.8
205.04991	0.6
206.05836	1.6
207.06689	0.7
217.04990	0.7
217.08632	1.1
218.05759	1.1
220.07397	0.7
221.08138	2.3
233.08168	9.3
247.09711	0.6
266.05780	0.6
293.04565	1.3
295.06229	0.7
297.07932	0.6
301.07159	0.8
308.06808	0.6
309.07822	0.9
311.05484	0.9
312.06360	1.1
313.07169	2.7
314.08029	0.7
325.07123	2.6
326.07751	1.5
327.08636	4.2
328.09589	0.6
329.06528	0.9
329.10153	1.1
340.09528	4.2
341.06555	1.5
341.10159	6.7
343.08069	1.8
343.11841	1.5
344.08838	2.1
355.11838	6.4
356.08881	1.7
356.12701	1.7
357.13605	0.8
358.10480	7.2
358.14493	0.7
359.11313	10.7
359.15216	0.5
371.11292	9.4
372.11890	0.7
373.12912	14.9
374.13254	0.9
386.13638	3.4
387.14542	0.6
389.12485	5.4
390.12753	0.8
401.16174	8.4
404.14691	8.0
405.15390	4.1
419.17093	42.6
420.17386	1.4
491.19131	2.5
505.17215	1.7
536.18982	7.7
551.21307	100.0
552.21600	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	551.2132
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
54.09642	0.7
55.01860	2.6
57.03447	5.1
59.01376	37.9
61.98823	1.3
69.27480	2.7
69.27878	1.6
71.01375	22.5
72.99300	1.2
73.02939	5.0
78.15707	0.7
83.01377	2.8
84.95109	1.6
85.02940	7.5
87.00890	3.3
88.98792	0.7
89.02439	11.8
93.36375	0.6
95.01372	1.8
99.00861	1.7
101.02439	10.9
105.03432	0.8
108.02152	1.8
109.02962	1.6
111.00838	0.9
113.02466	7.0
116.92859	2.0
119.03488	4.0
123.00859	1.0
123.04530	1.8
124.01643	2.3
125.02438	26.4
134.03691	0.7
137.02408	1.7
139.00366	1.1
139.04010	4.2
143.03532	1.5
149.02412	0.7
151.03984	0.8
152.01199	0.9
153.02003	1.0
159.04494	1.3
161.02434	9.3
161.04514	0.9
161.06027	0.9
161.08159	1.5
165.01903	0.8
167.03462	4.3
173.06065	1.3
175.03891	1.0
176.00981	1.1
177.05531	1.7
179.07156	2.1
183.02936	1.0
183.10219	1.7
187.04068	1.4
187.07674	0.8
191.03482	2.7
191.07172	0.9
201.05571	1.5
203.03596	0.7
204.04155	1.2
205.08725	0.8
217.08865	0.8
219.06622	3.4
223.05948	1.0
229.01346	1.3
253.05099	1.0
256.03818	1.4
261.92950	0.7
263.05560	12.2
269.04507	5.8
279.06598	1.1
283.06058	1.2
287.05524	4.5
295.06061	1.9
296.06650	1.3
297.07632	1.1
298.08261	1.1
305.06680	1.4
309.07639	1.2
314.07690	0.7
325.10538	1.2
326.07886	2.5
328.09677	1.7
329.10178	1.5
341.10120	6.9
343.11777	4.2
344.08771	1.3
347.15289	1.2
356.12656	3.7
359.11365	10.5
371.14941	4.1
374.09305	1.3
374.13675	14.5
389.16040	34.0
390.16544	1.2
419.17175	0.8
491.21347	1.9
536.19006	1.9
551.21344	100.0
552.21722	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	551.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	14.6
61.98816	3.4
69.11929	6.8
69.12335	10.6
74.99969	2.5
79.86200	3.2
82.56396	2.5
83.01398	7.0
90.13713	2.9
95.01384	8.1
101.28361	3.7
107.01378	3.2
111.00845	3.5
120.53367	2.9
121.02916	4.4
123.00871	5.4
124.01684	16.0
125.02445	65.8
132.16035	3.2
145.02908	4.0
147.00890	3.6
149.02452	5.5
151.00342	26.4
152.01135	52.1
163.69945	2.9
177.01668	3.1
178.98383	4.7
178.99864	65.8
180.00584	4.4
187.03987	7.2
201.05524	4.5
211.03992	4.5
213.05467	3.8
215.03487	4.3
216.04202	3.8
216.06198	2.6
227.03496	3.4
228.04240	3.0
229.04997	7.7
249.18518	4.8
255.02829	3.7
257.04553	14.8
258.05289	4.2
264.98318	3.0
265.14343	4.3
283.02457	22.2
284.03293	16.6
285.04028	7.7
301.03552	5.0
302.04404	16.9
331.04031	2.8
399.35394	2.9
425.19760	4.2
533.21570	6.4
551.15057	6.2
551.22864	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	551.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63154	0.8
57.03447	5.1
59.01377	48.2
61.09216	0.7
69.03447	10.3
69.35682	2.3
69.36084	1.5
71.01378	13.2
71.05021	2.4
72.99281	0.8
73.02944	14.2
78.91889	0.7
81.03422	1.2
83.01383	1.3
85.02956	7.8
87.00882	2.2
89.02441	12.3
97.02940	2.4
101.02441	20.4
103.04014	12.0
111.08156	1.8
113.02430	1.5
113.06081	1.5
115.04011	1.9
119.03484	5.5
125.02448	13.0
127.03999	0.9
131.03490	2.2
137.44499	0.8
139.11288	19.8
143.03496	2.7
145.05060	3.2
151.95969	0.7
161.02441	1.8
163.06128	25.1
175.44872	0.8
181.24303	0.8
183.10252	100.0
184.10559	1.0
201.23830	0.9
205.07143	5.0
240.61009	0.7
245.39297	0.8
247.08176	1.9
269.04477	1.1
307.10321	11.7
361.16406	2.4
389.16357	1.8
477.06192	1.0
491.21252	5.0
551.21228	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	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91872	1.1
57.03441	3.8
59.01377	38.7
61.98817	3.1
65.89776	1.2
69.03453	2.5
69.30255	6.6
71.01379	42.2
73.02945	13.7
75.00876	1.7
77.85269	1.2
81.03454	2.7
81.51700	1.3
83.01385	5.0
85.02950	12.5
87.00876	7.7
88.77655	1.3
89.02443	32.9
95.01386	4.4
95.04975	1.5
96.96014	2.9
97.02945	4.9
98.95683	1.4
99.00874	10.3
101.02431	22.7
103.00377	3.7
109.02956	2.2
113.02454	14.3
115.04027	2.7
116.92839	2.9
119.03475	3.7
121.02956	2.6
123.04504	5.2
125.01636	1.7
125.02459	21.1
131.03479	4.0
137.02448	1.6
139.03957	3.0
143.03477	2.0
149.04538	4.1
153.01872	1.3
159.02971	2.9
161.02443	2.8
161.04535	13.6
167.03459	3.5
177.05582	1.7
179.05693	2.0
179.07138	2.0
233.06564	7.5
263.09210	4.8
293.08768	18.3
300.02814	2.6
301.03491	2.2
389.16196	3.7
447.09381	2.5
491.21301	100.0
492.21933	3.0
521.20490	2.1
533.20477	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	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
57.03431	4.9
58.00583	1.7
59.01377	67.0
61.98811	2.2
62.79374	1.1
69.01866	1.2
69.42222	5.5
71.01379	49.2
71.41045	1.3
72.99313	3.2
73.02942	16.4
83.01376	8.8
84.95103	3.7
85.02948	23.0
85.19553	1.2
87.00873	5.4
89.02439	17.7
95.01387	5.1
96.96012	12.7
97.02930	2.9
98.95605	6.1
99.00882	5.8
99.04526	4.5
101.02444	33.9
103.03999	2.7
113.02439	16.2
115.04005	1.8
116.92828	2.7
118.73933	1.3
119.03505	1.5
121.02917	2.3
121.10216	4.2
123.00866	5.7
124.01661	5.1
125.02463	8.0
138.03210	8.6
139.04030	6.3
139.07616	1.6
143.03481	2.5
152.04723	1.3
153.01982	2.5
153.05559	7.9
159.02995	2.4
160.01665	3.2
161.02444	5.0
161.04544	15.5
163.06128	3.5
167.03462	3.9
169.08694	2.2
175.03995	5.1
179.03539	1.8
183.10255	50.5
187.04062	3.1
188.04716	1.5
195.06477	1.3
202.06340	5.3
203.07126	2.3
221.08200	3.7
225.91840	1.3
227.12854	11.9
233.08159	6.5
294.05179	1.7
307.10193	2.5
310.04529	1.4
313.07135	1.8
325.07190	1.8
327.08630	4.9
329.15936	14.1
340.09622	3.2
341.10190	4.7
343.08270	1.6
343.11862	3.2
344.09009	3.3
347.14899	3.4
355.11969	7.3
356.12653	2.0
358.10605	9.0
359.11340	10.2
371.11273	10.0
373.12881	14.0
374.13489	2.0
386.13495	2.9
389.12372	4.0
389.16458	2.6
401.16110	5.4
404.14932	6.2
405.15668	2.0
419.17139	30.4
461.86023	1.3
477.14172	4.1
491.21350	100.0
492.21811	3.2
536.18976	5.1
543.42267	1.5
551.21381	97.9
552.22070	3.9
570.51294	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.45806	1.7
70.99070	0.7
71.01371	3.4
73.02953	1.0
75.00885	3.5
83.01395	0.7
85.02944	1.0
89.02455	1.3
98.21863	1.4
101.02460	2.6
103.00473	10.1
103.01492	81.0
103.04054	1.4
104.03596	0.7
109.74014	0.6
113.02469	1.0
227.16608	2.3
353.23404	1.4
389.21661	4.6
515.28668	5.2
551.27039	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	551.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
58.94305	0.6
59.01378	100.0
61.98837	0.9
69.12469	4.2
71.01385	3.3
73.02934	0.8
75.00848	3.8
77.50267	0.7
81.67007	0.6
83.01392	0.7
85.02943	1.8
88.98820	1.3
89.02426	0.9
98.22784	1.0
101.02442	1.5
103.00474	9.7
103.01492	86.6
125.02429	1.8
125.27655	0.7
154.54829	0.7
182.36638	0.6
193.01405	0.8
223.06213	0.9
227.16571	2.9
340.35483	0.7
371.20737	1.0
389.21841	7.0
427.36078	0.7
456.45148	0.7
551.27057	21.8
552.27386	0.7
563.87451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03446	0.7
58.00581	0.3
59.01378	11.2
61.98830	4.6
69.03453	4.8
69.11456	0.6
69.11861	1.2
71.01377	5.2
71.05011	1.4
73.02947	2.6
79.01890	1.0
81.03443	1.1
83.01378	0.8
85.02949	2.4
87.00871	0.3
89.02440	3.0
93.03484	0.4
95.01373	0.6
95.05018	0.7
97.02950	2.8
98.22622	0.5
101.02435	4.3
103.04009	2.8
105.07095	1.0
106.33745	0.2
107.01386	3.6
107.05036	2.1
108.02171	7.4
109.02961	2.8
113.02448	0.6
119.03516	1.5
121.02932	0.6
121.06595	0.4
123.00881	0.7
123.04516	0.3
123.08163	9.0
125.02442	7.6
125.06065	0.4
127.04041	0.3
135.00890	5.9
135.04488	0.3
135.11797	0.9
136.05313	0.6
137.02469	1.4
137.06070	0.7
137.09723	3.9
139.03920	0.2
139.11272	1.0
143.03482	0.6
145.05106	0.3
149.02374	0.3
149.06085	0.6
149.33360	0.2
150.03223	0.5
151.00316	0.5
151.02841	0.4
151.04013	7.0
152.01152	13.9
153.01926	2.2
159.08093	0.4
161.09717	17.7
161.64746	0.2
161.88330	0.2
163.04056	0.3
163.06119	1.9
163.07634	4.2
164.08331	0.2
165.05525	0.8
166.31810	0.2
169.01329	0.4
177.05788	0.2
177.09204	0.3
179.10771	8.4
179.12372	0.4
183.10289	2.7
195.06612	0.6
197.06076	0.9
205.08684	22.5
206.09006	0.4
209.11928	0.4
223.09741	100.0
224.10066	1.7
229.99062	0.3
237.11412	0.3
243.06615	5.9
247.08099	0.8
249.15005	0.3
265.10767	0.4
287.05682	0.3
307.10294	0.7
325.10944	0.3
367.14026	3.8
385.14990	8.2
421.03033	0.3
443.11917	8.7
551.24969	31.6
552.25616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
59.01377	100.0
69.03458	1.1
69.23562	6.2
71.01382	11.6
73.02928	3.1
75.00863	2.4
76.71960	1.0
83.01398	2.7
85.02924	3.4
89.02430	6.0
93.38576	1.0
99.00864	2.8
101.02440	5.9
103.00475	8.1
103.01492	76.1
110.43348	1.1
113.02423	2.5
125.02425	3.0
131.03455	1.0
227.16493	12.2
250.92912	1.0
309.16888	1.0
346.74725	1.1
371.20914	5.0
389.21790	24.5
446.70932	1.1
470.83496	1.1
551.27057	86.6
552.27704	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	551.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
56.66333	0.7
57.03434	1.6
59.01377	58.0
69.03445	0.9
69.09471	4.0
71.01012	1.1
71.01382	16.8
72.99318	1.1
73.02954	6.0
75.00848	1.3
83.01385	3.8
85.02966	8.3
87.00869	1.5
88.41837	0.8
89.02457	4.3
95.01392	2.2
99.00881	1.6
101.02451	10.2
103.00466	4.1
103.01495	32.7
112.01662	0.9
113.02451	5.8
113.62679	0.8
119.03515	1.7
125.02460	3.7
143.03479	1.1
147.09547	0.7
161.04550	0.9
162.86032	0.7
174.02058	0.8
176.74265	0.8
187.64456	0.7
209.15530	0.9
227.16530	12.4
242.67575	0.8
282.35062	0.8
301.19986	1.3
353.23419	4.1
367.96039	0.8
371.20782	4.1
389.21805	24.7
390.21701	0.9
397.20593	2.4
429.00867	0.8
469.22516	1.0
470.23599	0.9
478.23239	12.6
478.73419	3.5
515.28693	5.9
533.26282	1.1
551.26837	100.0
551.76147	7.0
552.27386	3.6
571.36102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67530	8.8
55.64502	9.5
61.98840	12.5
69.85280	25.2
73.67495	8.0
75.00859	10.7
85.93652	7.8
135.02975	10.8
156.19890	11.8
157.49030	9.9
234.06313	9.3
277.18073	22.5
279.23465	13.8
280.13184	9.1
293.17493	18.6
305.17548	18.8
321.17038	17.7
333.17056	15.5
363.18146	11.5
467.19128	100.0
469.19702	24.6
551.11835	10.7
551.30383	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	551.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76730	12.5
53.91577	12.4
61.98827	22.2
71.43215	12.4
80.91672	39.4
91.10119	10.5
94.92488	28.3
99.15421	12.0
135.29691	13.9
192.39229	12.8
193.12363	12.7
211.93651	13.1
248.34805	12.0
264.25012	13.9
311.16904	13.9
423.21790	19.9
439.21436	20.8
467.19382	15.0
469.25827	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	551.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48826	1.0
59.01377	16.5
61.98832	1.6
69.09590	2.6
69.09998	5.3
71.01384	2.8
71.74728	1.0
78.95883	1.6
85.02948	1.0
89.02442	3.2
94.92490	2.1
101.02517	2.5
113.02383	1.1
114.80245	1.0
117.65395	1.0
137.02541	1.6
139.00398	1.4
152.99519	1.7
196.49603	1.1
235.08116	2.4
253.09306	10.1
255.23265	100.0
256.23618	3.3
281.17517	1.7
306.98068	1.3
357.41623	1.0
379.30725	1.2
494.26691	1.8
509.29031	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.5
62.26577	0.3
65.64268	0.4
71.01367	2.3
73.02930	0.9
83.01355	0.5
85.02930	0.6
89.02438	1.6
92.26469	0.4
97.47212	0.4
101.02455	2.6
105.32745	0.3
106.65174	0.4
109.87510	0.4
110.50284	0.4
111.00916	0.5
113.02441	1.3
119.03481	0.8
121.93750	0.4
133.05081	0.4
134.61223	0.4
139.00404	2.2
152.99573	0.5
157.05031	0.5
161.04547	0.8
168.76169	0.4
195.17520	0.5
235.08220	2.7
240.54291	0.4
248.80644	0.5
253.09279	11.0
255.23288	100.0
256.23746	2.1
279.16040	1.2
281.17621	2.7
307.15445	0.8
308.16183	2.2
457.29807	0.7
473.29388	0.9
483.27383	1.4
491.31967	0.8
501.28586	1.2
519.29382	1.1
551.32343	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	552.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04448	2.4
53.17238	2.6
55.57737	2.9
67.40664	3.0
69.25232	8.6
69.25637	5.1
74.46162	2.9
77.68569	3.0
84.93851	3.4
99.92580	77.1
100.93356	13.0
115.92067	14.2
116.92889	5.1
129.74461	2.8
135.08162	3.3
149.02502	4.6
151.00330	8.4
151.07626	3.7
155.95219	3.0
177.05505	4.4
179.07156	7.6
183.13504	3.0
191.03560	4.8
191.98917	4.5
193.04993	5.1
205.96695	3.3
209.99867	8.2
219.98154	2.8
220.95441	7.8
221.33092	3.2
221.95998	6.2
224.16660	3.1
234.93254	6.5
236.95052	3.0
239.05518	3.2
245.99872	11.1
259.97784	7.0
260.98703	7.0
261.99442	13.7
263.00247	3.6
264.00912	10.2
266.02396	9.0
275.97296	26.1
276.98047	4.9
287.97311	12.6
289.98883	9.8
290.99750	5.9
292.00464	49.5
305.98413	7.9
306.99316	4.1
309.00812	21.1
310.01465	18.4
321.97824	23.5
326.01001	3.9
397.52057	3.2
400.73822	3.4
454.06866	3.6
462.06012	3.5
470.07239	3.6
496.04675	4.5
498.06256	62.2
499.06412	3.6
516.07245	96.5
517.08099	4.9
520.55188	3.0
552.09393	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	552.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65668	0.7
61.98829	100.0
69.31699	0.6
74.39935	0.8
77.58962	0.8
79.95735	0.7
98.21837	1.5
101.85886	0.8
105.24562	0.6
139.49355	0.9
166.89746	0.8
187.92967	0.7
553.27167	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	552.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17764	0.4
52.26786	0.4
54.04285	0.4
61.17145	0.4
61.49439	0.4
61.98828	100.0
62.07089	0.4
71.17318	0.4
75.45264	0.4
76.26260	0.4
78.95924	0.9
79.14270	0.4
80.96542	1.1
96.96021	1.9
410.36435	0.5
502.35959	0.4
553.26984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	1.1
59.01377	13.7
60.99294	1.2
61.98826	1.7
67.67957	0.7
69.89074	2.9
71.01381	8.3
72.99311	1.4
73.02918	2.1
75.00878	2.1
85.02937	3.2
87.00871	1.4
88.98358	1.0
88.98814	12.4
89.02450	4.6
92.49566	1.0
95.01370	1.6
96.95982	1.6
99.00853	2.3
101.02418	3.6
107.01358	2.1
108.02151	3.3
109.02951	13.5
113.02466	4.2
119.05006	3.6
123.00795	1.2
123.04532	7.5
124.01647	2.0
125.02451	5.2
135.00882	0.9
137.02428	3.9
151.00380	8.0
152.01109	1.1
153.01933	15.7
161.02426	0.9
163.00360	1.5
163.03987	2.0
164.01077	1.2
165.01740	1.1
167.03496	10.8
169.01389	2.8
177.01877	1.2
177.09204	1.3
178.63370	0.9
178.99844	5.3
182.28246	0.8
183.02991	1.0
185.11739	1.4
189.01950	1.2
193.01318	0.9
193.05023	1.2
214.02666	4.1
227.03360	1.3
229.11597	1.1
239.09323	1.5
242.02147	4.1
243.02875	1.3
251.05438	1.3
259.02310	2.8
270.01611	4.5
271.02466	25.7
271.05780	1.6
286.08591	4.5
287.01993	13.2
288.02441	1.4
301.10770	8.0
313.10669	1.3
316.02219	84.5
317.03003	16.5
317.51529	0.9
331.11737	6.4
376.91382	1.3
389.15979	1.4
390.16455	2.6
391.16895	1.4
406.92465	1.9
417.10086	2.8
463.08829	100.0
464.08752	2.9
493.23108	2.4
535.10760	2.2
552.21613	3.9
552.98126	3.4
553.11841	38.6
553.21887	4.0
554.11719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
57.25031	0.5
59.01375	4.7
60.99307	14.7
61.98827	1.3
67.01862	0.5
68.25655	0.5
69.53350	1.5
71.01379	4.2
73.02963	1.2
74.67058	0.5
75.00868	0.8
78.95911	0.6
79.95737	0.9
81.03440	0.7
83.01381	0.8
85.02951	1.8
87.90316	0.5
88.98805	100.0
89.02437	2.8
89.99121	0.5
95.01383	0.7
96.96008	30.5
96.96973	1.5
99.00896	0.5
101.02457	3.5
109.02943	1.2
113.02465	1.6
123.00903	1.4
124.01677	1.0
125.02454	5.0
131.03452	0.9
137.02489	0.9
139.00354	0.6
148.90956	0.7
149.04613	0.6
151.00365	0.8
151.03998	0.7
152.01109	0.7
153.01964	1.6
161.02357	0.7
161.04617	0.9
165.01936	0.7
167.03545	0.5
169.01424	1.7
183.03093	0.6
191.05632	0.8
192.00652	8.2
193.01402	10.3
194.11284	0.5
195.03030	1.8
206.02356	0.5
207.03000	2.6
234.01604	0.6
235.02483	1.2
249.04079	0.7
283.15549	0.7
313.05569	0.5
324.79584	0.5
325.00436	0.6
331.17422	0.6
353.10931	0.5
355.21384	0.5
416.96820	2.3
435.00604	0.7
463.08820	22.7
493.04782	1.3
493.22806	6.0
553.06793	1.5
553.15918	6.4
553.31989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22225	0.7
57.03443	0.9
59.01374	11.9
61.98812	0.7
62.64167	0.7
71.01368	1.4
73.02930	1.3
78.95922	1.3
89.02470	0.7
90.77453	0.7
96.96013	3.1
98.12434	0.8
98.21869	3.0
98.95564	2.2
99.92582	3.2
100.93336	3.9
103.03986	0.9
108.02171	1.5
109.02993	1.0
115.92079	4.2
116.92859	32.7
121.02953	1.8
123.00877	2.6
124.01642	0.9
125.02445	3.2
132.02206	0.9
133.02899	1.3
137.02449	1.1
139.11292	7.5
145.03011	0.8
146.03731	1.0
149.02449	1.3
152.01111	1.8
153.01779	1.0
161.02444	8.8
162.03242	7.7
163.03993	0.8
164.01106	4.1
165.01927	1.4
166.02631	1.1
166.99815	1.2
168.00630	2.7
169.01416	2.6
173.02400	1.6
175.03941	1.1
176.01123	1.4
177.01913	3.2
178.02704	1.2
181.12384	4.0
183.10266	7.4
189.01939	4.7
190.02710	22.8
191.03477	2.0
192.00638	54.0
193.01389	9.1
194.02174	1.8
199.13391	2.0
202.02631	1.0
204.00639	1.5
205.01395	12.1
205.05060	1.6
206.02209	14.5
207.02971	21.7
217.01384	8.6
219.02896	1.2
220.03773	2.4
221.00684	0.8
225.11229	2.8
232.03862	1.0
233.00871	3.4
234.01677	54.0
235.02414	3.6
243.12343	18.2
245.00873	8.1
246.01692	13.5
247.02296	1.2
249.04033	39.3
264.02747	1.2
276.02777	2.8
285.13330	1.1
291.05017	2.3
294.03769	15.3
295.04453	1.1
309.06143	50.7
310.06375	1.3
312.04877	0.8
327.07211	2.5
445.12137	1.1
449.05692	1.1
456.06799	1.7
467.06583	1.0
493.17300	6.3
493.83032	0.8
509.07770	1.0
535.18127	3.8
537.32410	0.8
553.05957	2.7
553.19232	100.0
554.19666	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	553.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.0
59.01375	70.7
61.98837	38.2
61.99089	6.2
71.01366	39.9
72.99298	11.4
73.02934	10.0
74.63709	6.6
82.95408	8.7
84.95132	7.5
85.02943	15.8
88.98781	12.8
89.02449	12.7
99.00905	7.3
101.02438	30.6
113.02436	21.8
113.06126	6.9
115.07641	9.4
125.02419	30.5
161.02420	19.4
161.04631	13.6
165.05553	8.9
171.10323	10.8
191.10733	13.3
217.16010	8.7
229.61516	9.4
431.27359	8.4
449.28845	17.0
515.21185	14.0
517.06097	9.3
517.22772	100.0
553.20081	31.3
553.27466	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	553.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67564	0.6
59.01375	5.6
61.98822	1.5
71.01378	4.3
71.45620	0.8
73.02924	1.0
78.95921	0.9
79.95737	2.3
85.02962	1.5
86.81700	0.6
89.02448	0.7
94.97988	0.5
96.96010	100.0
101.02450	2.5
108.02166	0.7
113.02461	2.0
113.92661	0.8
114.93423	5.6
118.96619	0.9
120.11453	0.6
121.03007	0.6
122.03732	1.3
122.06165	1.0
125.02438	3.5
137.02458	0.7
137.28796	0.6
138.03204	0.8
143.03514	0.6
145.50780	0.7
149.06197	0.6
160.97714	1.1
161.04514	3.2
169.01486	0.9
177.05600	0.7
192.07973	1.6
193.12375	5.4
198.99388	1.1
201.37891	0.6
207.10245	15.4
208.10733	0.9
210.99113	0.8
213.10312	1.8
225.07715	0.8
259.01355	3.7
285.12350	3.1
305.06580	0.7
323.09052	0.7
331.19186	1.4
355.17682	0.8
372.19397	0.8
373.19366	1.0
387.02219	0.7
467.12543	7.2
517.22913	13.2
518.22424	0.8
553.26404	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	553.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33381	0.7
57.03447	1.0
59.01380	19.3
60.99303	12.7
61.98834	1.3
69.33633	2.8
71.01382	0.9
77.25626	0.6
87.00845	0.6
87.61900	0.5
88.98804	100.0
89.02438	14.7
98.21828	1.3
103.00377	2.0
103.01464	4.5
113.02425	1.0
123.00893	0.8
125.02454	6.3
137.02466	1.8
161.02460	2.5
165.01886	0.8
165.49046	0.7
168.00603	1.1
169.01422	1.7
181.26711	0.6
190.02704	1.1
192.00653	5.4
193.01396	2.3
206.02281	0.9
207.03012	2.3
207.35129	0.6
223.93158	0.6
234.01695	1.7
236.37920	0.8
243.12332	1.1
243.57002	0.7
249.04100	1.4
275.60074	0.8
309.06171	2.0
354.56860	0.8
548.82550	0.7
553.19153	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	553.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69804	0.3
55.89099	0.3
57.03391	0.3
59.01367	0.7
60.99304	13.9
61.59703	0.3
61.99464	0.3
62.34597	0.3
68.58344	0.3
71.01363	0.8
73.02945	0.5
87.00867	0.7
88.98804	100.0
89.02438	16.5
101.02467	0.4
113.02444	0.3
125.02467	0.6
134.03722	0.4
193.05035	0.7
227.52745	0.3
438.05539	0.3
463.22040	1.5
493.23102	0.7
553.12933	0.4
553.24432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78988	0.3
59.01362	1.0
60.99303	13.7
67.32343	0.3
70.72256	0.3
71.01377	1.0
73.02962	0.4
85.02939	0.9
87.00854	0.7
88.00403	0.5
88.98798	100.0
89.02431	17.3
89.03003	0.5
92.47182	0.3
94.25278	0.3
98.22613	0.8
101.02425	1.0
113.02439	0.6
114.93109	0.3
117.83594	0.3
119.03490	0.4
125.02434	0.7
132.55119	0.3
134.03688	0.6
161.04633	0.5
179.05638	0.3
193.05032	0.7
194.05507	0.4
351.72461	0.3
389.74512	0.3
463.21918	2.2
493.22916	1.4
553.11865	0.7
553.25104	0.6
572.64136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84302	0.4
53.03187	0.4
57.03441	0.4
59.01377	5.3
60.08431	0.4
60.99303	14.8
61.98826	7.7
62.28318	0.5
69.03447	0.5
69.25327	1.2
69.25734	1.2
71.01381	4.8
73.02942	1.5
74.99109	0.5
79.63851	0.6
83.01373	0.6
85.02943	2.4
87.00890	0.9
88.98804	100.0
89.02438	13.2
91.61588	0.4
93.75722	0.5
95.01373	0.6
95.48569	0.4
96.95992	1.4
99.00890	0.9
101.02438	3.6
109.02959	1.6
113.02458	3.2
114.27488	0.4
119.03506	0.7
121.02943	0.5
123.00880	0.5
123.04463	0.7
124.01672	1.9
125.02431	2.1
135.65195	0.4
137.02409	0.5
139.03957	0.7
152.01250	0.6
152.75186	0.5
153.01944	1.7
161.02470	0.7
161.04538	2.2
161.63586	0.4
162.03230	0.4
164.17162	0.5
167.03500	1.2
168.00661	0.9
169.01495	0.6
179.05615	0.7
183.02943	2.1
190.02742	0.8
190.06215	0.6
192.00635	4.7
193.01068	1.0
193.05086	0.5
193.52646	0.5
205.01379	0.8
206.02269	0.6
207.02985	3.0
221.06741	0.5
224.51831	0.4
229.11633	1.0
234.01665	3.5
249.04114	1.5
285.03918	0.6
309.06134	4.0
310.14240	0.6
331.17606	1.0
346.01608	0.7
360.15225	0.9
361.15610	1.6
385.07465	0.6
391.17209	1.2
417.10193	0.5
463.08667	2.9
463.22058	1.5
493.10342	2.5
493.23077	9.3
553.12225	1.9
553.23566	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	553.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.2
59.01377	4.1
61.98863	1.7
69.03466	0.7
71.01414	1.7
72.99339	0.4
73.02977	1.2
78.31489	0.4
79.68465	0.4
81.03456	0.9
82.95452	1.4
83.01420	1.5
83.05096	0.5
84.39350	0.5
85.03000	0.7
93.03497	0.9
95.01405	0.6
97.02972	0.9
98.22673	0.9
101.02480	1.0
103.01500	0.9
105.01968	1.5
107.05074	1.3
108.02206	1.0
108.96366	0.4
109.02998	1.1
109.06676	0.6
113.02499	0.8
119.19645	0.4
121.02934	2.9
121.06612	0.9
122.03743	4.7
123.00925	1.2
123.04562	0.9
123.08205	0.5
124.01657	9.6
124.02490	0.7
125.02439	8.6
125.09733	0.7
133.06602	0.9
134.03757	0.8
135.04553	1.1
135.08165	4.3
136.01689	1.0
137.02469	1.6
137.06084	2.3
137.09715	0.9
138.03262	1.8
139.07719	1.4
141.52020	0.5
145.06624	0.7
148.05411	0.5
149.02496	0.5
151.00417	0.8
151.04002	1.1
151.07668	0.7
152.01262	0.7
152.59431	0.4
153.02011	0.5
153.09213	1.7
161.02473	1.3
161.06075	1.6
162.06902	0.6
163.07646	40.5
164.08096	0.8
164.48938	0.4
165.05568	1.2
166.68562	0.4
167.03456	0.5
167.78275	0.5
169.01527	0.7
172.05194	0.6
178.99875	0.5
179.07143	7.7
181.08694	12.8
183.10262	0.7
187.07629	1.0
189.05542	0.6
192.00729	0.7
197.08183	1.1
201.05518	0.6
207.06616	29.5
208.06918	0.8
223.06136	0.8
224.06891	2.3
225.07669	100.0
226.08022	0.8
235.65491	0.4
249.07748	0.5
251.12840	0.7
259.06140	3.7
267.08841	0.5
269.04584	3.7
287.05530	3.2
353.23071	0.7
369.07520	0.5
369.11905	6.1
376.67368	0.5
387.12949	4.9
391.21664	0.6
515.28522	0.7
517.22272	0.7
552.26709	0.5
553.13104	3.6
553.22565	34.1
554.22510	0.9
565.44226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60860	1.2
54.43167	1.2
57.03451	9.7
58.91707	1.4
59.01379	57.2
61.42519	1.4
61.98827	11.9
64.49621	1.3
69.03445	2.0
69.41280	6.0
71.01385	17.4
72.99274	2.1
73.02942	11.0
75.00866	1.6
81.03442	3.3
83.01374	3.6
85.02949	8.7
87.00856	3.2
88.98808	12.4
89.02435	10.6
99.00892	1.3
101.02446	17.1
103.04010	13.5
107.01330	3.3
108.02150	8.5
109.02952	15.6
113.02435	2.7
119.03510	6.6
119.05002	2.9
121.02943	1.6
123.00885	3.0
123.04524	6.9
124.01706	3.0
125.02446	21.1
137.02451	5.0
139.04005	1.7
143.03452	3.1
145.05077	3.3
151.00381	7.5
151.03995	1.4
152.01149	9.2
153.01941	15.6
161.02463	2.0
163.04010	4.2
163.06099	18.6
163.07397	2.3
167.03510	9.2
168.00642	2.1
169.01430	4.9
177.01933	3.3
178.99828	5.3
183.02916	1.6
183.10233	5.2
184.10649	1.5
185.11845	61.9
189.01833	3.1
192.00583	2.2
193.01450	1.4
205.07140	3.7
209.11885	2.7
214.02722	5.5
215.03351	1.7
220.22144	1.6
242.02226	4.5
243.02904	2.3
247.08296	1.9
254.91454	1.4
259.02444	2.6
270.01660	4.5
271.02478	25.3
286.08405	2.4
287.01978	16.3
301.10745	3.1
307.10394	13.7
316.02219	80.3
317.02905	14.2
331.11719	3.4
336.21051	1.5
340.72290	1.4
391.13647	8.1
399.09305	4.8
406.92484	3.4
417.09979	2.3
463.08823	100.0
464.09161	4.0
493.22748	6.6
514.66699	1.4
552.98895	2.3
553.12286	23.8
553.22729	3.7
581.81720	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19478	0.3
55.01860	0.6
57.03424	0.5
59.01377	9.5
60.99304	17.4
61.98832	2.6
69.57005	1.4
69.88352	0.3
71.01380	8.6
73.02946	2.3
75.00866	0.6
79.95770	0.4
83.01377	1.3
85.02947	2.6
87.00886	0.7
88.98803	100.0
89.02441	5.1
89.99144	0.5
95.01413	0.5
96.96011	14.9
96.96944	0.6
97.02959	0.5
98.22606	0.5
99.00894	1.0
101.02443	5.8
108.02160	1.0
109.02936	1.3
111.08154	0.7
113.02453	2.6
119.03484	1.3
121.02942	0.7
123.00873	0.4
123.04533	0.8
124.01663	0.8
125.02431	3.9
127.73138	0.4
131.03520	1.9
132.74893	0.4
137.02441	0.7
149.02492	0.5
149.04573	2.2
150.03346	0.4
151.00298	0.5
151.04028	0.5
152.01125	0.8
153.01968	1.2
161.02457	0.8
161.04568	1.7
163.11256	0.5
164.01190	0.8
165.01869	0.6
167.03522	0.8
169.01463	1.4
179.03464	0.5
183.02983	0.6
185.03645	0.4
189.01875	0.4
191.05585	1.6
192.00632	8.9
193.01405	10.3
194.02101	1.0
195.03004	1.6
205.01472	0.5
206.02148	0.5
207.03064	2.5
222.01846	0.4
229.08656	1.5
229.11516	1.1
234.01680	1.3
235.02405	1.1
249.03973	1.1
255.05193	0.5
272.13162	0.3
283.15543	0.9
312.04843	0.7
331.17819	2.0
361.18744	2.0
391.17102	0.9
416.97110	2.0
463.08801	22.6
464.08963	0.7
472.19485	0.7
493.22922	15.8
494.23819	0.5
521.18201	0.5
553.07086	0.8
553.15979	1.4
553.23016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53359	0.8
55.01859	2.6
57.03450	1.7
59.01380	20.1
63.16770	0.7
71.01381	31.9
71.44284	1.0
72.99305	1.0
73.02941	12.6
75.00819	1.0
83.01382	5.8
85.02953	14.4
87.00872	1.7
88.98800	0.8
89.02451	7.3
94.98102	1.3
95.01385	2.2
96.96012	1.8
97.02927	1.7
99.00884	3.5
101.01780	1.7
101.02443	32.4
109.02922	1.0
111.00864	1.3
113.02440	16.6
119.03482	2.3
125.02454	3.9
137.02426	1.7
143.03470	2.7
152.01147	0.8
157.17882	0.9
159.02974	3.2
161.04555	15.6
162.03241	1.1
169.01453	1.8
172.77582	0.7
177.05594	1.8
179.05580	0.9
183.45427	0.8
331.17645	12.1
493.22888	100.0
494.23053	2.3
510.85040	0.8
553.23822	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2781
Annotation	Acrovestone
Peak:m/z	Relative Intensity
59.01373	0.3
63.40595	0.1
69.79647	0.2
75.31415	0.1
87.00872	0.2
95.01383	0.6
96.02161	2.3
100.19196	0.1
111.00866	0.5
123.00874	1.4
124.01655	5.8
125.02440	0.1
128.01189	0.1
137.02386	0.1
138.03224	0.1
139.00349	0.1
151.00362	0.3
152.01141	7.1
153.01900	0.2
165.01900	0.5
166.02715	1.9
167.14432	0.3
176.04727	0.1
184.00104	0.8
193.15959	0.3
196.17238	0.1
219.13860	0.2
223.13371	0.1
237.14934	5.9
238.15363	0.1
247.13303	0.2
249.18867	0.1
265.14420	100.0
266.12039	0.1
266.14774	2.0
299.00107	0.1
305.12469	0.2
313.02176	0.1
370.42767	0.1
412.93274	0.1
525.27118	0.7
553.27576	5.9
554.27802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48302	18.4
61.98826	42.7
69.29198	70.2
69.29604	47.9
92.87992	21.0
96.96014	100.0
102.95916	20.4
106.56308	19.3
152.99524	19.8
171.86406	21.7
396.12076	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	553.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97299	0.5
71.39172	0.6
103.64315	0.5
109.02927	0.8
112.80717	0.5
117.03458	1.3
121.02997	0.6
123.00838	1.5
126.65307	0.5
137.02448	2.2
148.01637	1.0
149.02414	1.4
150.03204	4.5
156.15923	0.5
161.02490	3.4
163.00362	2.4
163.04065	1.2
174.03236	1.7
175.04083	0.7
176.01125	2.5
177.01923	3.8
177.05533	1.4
189.01920	76.0
190.02408	1.1
198.03252	4.7
202.02719	0.8
212.04646	0.8
212.06717	0.6
214.02673	1.6
215.14380	2.0
217.05086	0.8
224.04678	0.6
226.02728	0.9
227.03438	0.7
230.02139	1.8
237.15036	0.6
239.03470	1.0
240.04242	9.1
241.01489	1.1
241.05037	0.6
241.26874	0.6
242.02220	5.3
247.13274	0.8
248.14136	2.1
249.15021	1.8
250.15782	3.5
253.04936	1.3
254.02206	17.3
254.05708	1.7
255.02811	1.7
258.01596	1.2
259.13351	1.9
261.15054	0.9
263.16461	0.9
266.02185	1.0
267.02902	0.7
268.03741	8.1
269.00937	1.6
270.01688	11.4
270.04630	0.6
271.02380	0.8
281.01212	1.3
281.04495	2.2
282.05246	4.7
285.03885	0.7
287.12827	5.1
288.13651	13.6
289.14490	6.7
290.15186	11.3
291.15509	0.6
294.01746	0.9
295.02438	4.6
295.06055	2.4
297.00394	2.6
298.01163	79.3
299.01871	3.2
303.15857	1.0
325.18002	1.0
352.16785	0.5
353.17334	1.3
367.15402	1.3
379.15421	1.4
380.16376	0.7
381.17053	18.5
382.17517	2.1
383.14990	0.7
393.17453	0.7
395.18600	20.1
396.18857	1.0
397.16446	1.2
407.14795	2.5
408.15692	9.0
409.15991	1.2
409.20697	0.9
411.14456	24.0
421.31393	0.8
425.16006	2.7
451.25308	0.8
477.29919	0.7
493.29327	3.7
520.28198	0.7
521.29236	2.6
538.21320	1.0
538.29340	13.7
539.29431	0.8
553.31677	100.0
554.32056	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	554.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
61.98827	100.0
69.03444	7.6
69.48136	3.8
71.01362	1.4
79.01886	3.1
97.02940	2.9
98.21854	1.1
107.01370	8.3
108.02179	12.8
108.86892	0.9
112.43382	1.0
123.00912	1.2
125.02444	10.3
134.99873	2.0
135.00874	29.0
136.54692	0.9
152.01146	42.0
157.30109	0.9
158.58531	1.0
171.48920	1.0
243.06599	85.1
265.59644	1.0
387.10760	1.4
405.07715	1.8
447.11859	1.2
554.19214	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	554.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90262	1.0
55.05380	0.8
59.01369	3.5
61.98826	100.0
69.19531	2.3
69.19942	2.9
86.41196	1.0
87.94802	0.8
91.01876	5.9
98.22651	1.8
108.02166	6.7
109.02918	2.0
123.00854	2.0
125.02430	1.9
135.00874	5.5
137.02419	3.0
152.01111	8.3
154.13120	0.9
156.21213	0.9
165.30963	0.9
196.13664	0.9
243.06599	58.1
309.90851	1.0
310.18726	0.9
447.12970	10.7
528.88129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12031	0.5
59.01365	1.0
61.98829	100.0
69.80268	0.6
70.33681	0.5
71.01385	0.7
87.47992	0.5
96.96056	0.7
101.02452	0.7
125.02434	1.0
183.81133	0.5
192.00630	9.9
193.01448	1.7
193.66373	0.5
207.02991	4.8
491.11938	8.5
535.88446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54380	0.2
59.01381	0.6
61.98830	100.0
64.37866	0.2
64.84810	0.2
65.59367	0.2
69.39986	0.6
69.40368	0.5
71.01387	0.2
71.66881	0.2
80.91708	0.2
83.58511	0.2
90.13037	0.2
93.03495	0.2
96.96033	1.2
101.02429	0.2
101.06031	0.2
123.04517	0.5
124.01701	0.2
125.02463	1.0
137.02460	0.8
149.02463	1.0
150.03188	0.4
152.04893	0.2
165.05573	1.0
169.01448	0.4
184.56897	0.2
195.06688	0.5
229.62001	0.3
230.12437	0.3
240.20761	0.2
289.17068	0.2
299.02084	0.7
311.14920	0.3
314.04483	0.9
329.03046	0.6
329.06802	1.5
392.17844	0.3
415.91107	0.2
491.12070	0.7
507.20560	1.1
554.26959	0.3
566.88806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14879	0.3
51.26297	0.3
59.01382	1.6
59.09653	0.3
60.99321	0.6
61.98827	100.0
69.22672	0.5
69.23079	1.2
71.01370	1.4
85.02950	0.3
88.98795	5.1
89.02440	0.8
89.14822	0.3
89.99136	0.5
96.96005	2.5
101.02437	0.8
102.85922	0.3
112.87812	0.3
113.02487	0.6
120.71302	0.3
124.01643	0.7
125.02435	1.5
137.02452	0.6
139.04051	0.4
151.04028	0.3
161.02481	0.6
162.93987	0.3
163.29597	0.4
169.01300	0.4
179.07214	0.5
192.00676	0.4
193.01093	0.4
228.61133	0.4
229.11520	0.7
229.61888	0.9
230.12381	0.6
311.15030	0.6
370.02182	0.3
392.17935	1.1
464.09171	0.9
487.15112	0.4
494.23111	0.7
495.15256	0.4
555.26611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
60.99305	0.8
61.98830	100.0
70.26958	0.6
71.01373	0.7
83.01398	0.3
83.93382	0.3
85.02962	0.7
88.98799	3.0
89.02426	0.4
89.99137	0.4
96.96014	2.1
98.21933	0.3
101.02438	0.4
108.02164	0.3
109.99246	0.3
124.01675	0.6
125.02425	1.4
135.08189	0.6
137.02435	0.5
153.02023	0.3
161.02483	0.6
179.07117	0.7
193.01286	0.4
193.08786	0.3
210.66235	0.3
229.11536	1.2
229.61908	1.0
230.12350	1.3
230.62538	0.3
232.01338	0.3
247.24184	0.3
287.05765	0.3
311.15118	0.7
391.17249	0.4
391.67017	0.4
392.17630	1.0
464.09213	0.5
495.14276	0.4
554.24664	0.6
555.26703	0.3
577.37018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76325	0.3
57.03445	0.7
59.01375	2.3
61.21645	0.3
61.98829	100.0
62.44403	0.4
63.39341	0.3
68.16515	0.4
71.01353	0.8
75.00863	0.6
76.93468	0.4
85.02954	0.4
96.96018	0.8
108.02190	0.7
113.02424	0.7
120.38136	0.4
123.00928	0.5
123.04538	0.7
125.02461	5.0
126.02789	0.5
137.02419	0.4
152.01193	1.3
158.27168	0.4
161.02454	0.4
166.99821	0.5
167.03481	2.4
169.01453	3.9
170.01880	0.6
177.01913	0.5
179.07103	0.4
225.11453	0.5
351.67407	0.4
395.88602	0.4
406.57916	0.4
491.11533	0.4
554.14233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
59.62064	0.2
60.01720	0.2
61.98829	100.0
71.01397	0.5
73.02921	0.3
73.20444	0.2
80.91726	0.3
82.95415	1.4
86.81306	0.3
88.98804	0.2
89.02415	0.5
101.02451	0.3
109.02925	0.4
112.96229	0.2
113.02441	0.3
125.02477	1.0
151.03951	0.3
153.01909	0.7
154.02380	0.4
161.02464	0.3
183.02997	0.3
183.10291	0.9
184.10648	0.8
230.12344	0.3
250.66881	0.2
286.46158	0.2
317.75729	0.2
321.11697	0.2
392.18091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91139	1.4
55.01891	1.3
57.03450	2.9
59.01380	24.7
61.98833	24.1
71.01380	22.5
73.02948	8.0
79.46275	1.1
80.91686	6.8
82.95418	14.6
83.01396	2.9
84.95112	2.8
85.02942	10.1
87.00893	1.9
89.02451	13.4
95.01379	1.6
96.95998	6.2
97.02982	1.2
99.00866	2.4
101.02448	19.2
113.02432	11.9
116.92870	2.4
119.03483	4.8
125.02447	24.9
137.02385	2.4
143.03461	1.2
150.03189	1.4
159.02997	2.0
161.02496	6.5
161.04567	16.5
162.02863	1.3
166.99796	1.1
167.03439	1.7
169.01425	8.8
179.05630	4.6
182.02164	1.3
194.06110	1.1
287.05557	1.9
305.06384	1.2
318.03656	1.4
331.19037	3.8
332.19333	6.0
349.20245	9.3
381.13528	1.2
419.25275	1.3
511.25464	100.0
512.25897	3.5
554.26166	14.5
555.27484	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	554.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.4
62.14210	0.7
73.98634	0.7
76.64248	0.8
78.95895	5.7
89.76412	0.8
118.11904	0.8
128.70735	0.9
162.35338	0.7
168.04234	0.9
201.67378	0.8
208.65132	0.8
224.07042	0.9
242.07947	3.6
245.50949	0.9
259.96286	0.7
279.23270	100.0
280.23645	3.3
290.85315	0.8
394.50183	0.7
414.16071	0.8
420.69553	0.8
504.30917	39.8
505.31378	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	554.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77672	0.5
57.57669	0.4
59.01379	22.5
61.98814	0.4
62.65881	0.5
68.17168	0.5
69.10284	2.8
78.95901	18.3
90.21679	0.5
152.99597	2.4
168.03087	0.6
168.04282	3.1
201.43492	0.5
224.06885	8.3
242.07977	1.2
243.30719	0.5
255.23288	100.0
256.23627	2.4
408.40631	0.6
480.30933	71.2
481.31485	2.0
486.07669	0.6
554.27136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
61.98800	0.5
69.50352	0.8
79.95732	2.5
96.96006	100.0
98.21887	0.3
117.40668	0.2
123.00885	0.4
125.02442	6.5
137.02443	1.0
161.02518	0.4
165.05577	0.3
166.99792	0.2
167.03448	0.3
169.01411	10.7
195.06644	0.2
197.04500	0.4
222.99348	0.4
236.41705	0.2
266.98184	0.4
287.05551	0.3
301.00281	0.5
305.06650	0.8
305.27686	0.2
313.99841	0.2
328.99744	0.6
356.99390	0.4
360.99066	0.2
374.31171	0.2
375.00351	0.4
425.85916	0.2
451.03989	0.2
457.07819	1.5
495.02466	2.4
518.99402	0.2
555.04602	2.4
555.12830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.6
60.38773	1.1
61.98821	7.8
62.21644	1.0
69.25307	4.9
69.73873	1.2
71.01375	1.4
74.12898	1.0
84.93854	1.6
87.92078	1.1
96.96012	7.3
98.95575	4.8
99.92603	11.5
100.93354	9.3
101.02438	1.2
101.41356	1.3
115.92070	13.6
116.51682	1.1
116.92856	100.0
123.73621	1.0
125.02423	4.1
142.94402	3.7
149.37833	1.1
169.01279	1.7
184.91840	2.7
193.12273	2.3
207.10315	3.4
242.95905	1.6
342.24927	1.2
451.07071	2.5
469.07956	2.5
481.07639	1.2
486.75720	1.4
493.08255	1.4
511.09128	3.9
517.22809	2.6
519.06659	2.1
555.08142	14.9
555.28381	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	555.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
58.37006	0.3
59.01379	1.7
60.42299	0.3
61.98827	0.9
69.03452	1.6
69.10770	0.6
69.11177	1.3
71.01379	0.7
73.02969	0.4
79.01894	0.7
80.91712	0.3
81.03445	2.0
82.95424	1.1
83.01379	0.7
85.02983	0.5
87.04532	0.4
93.03465	0.3
93.88674	0.3
95.01412	0.3
95.05019	0.6
96.96003	6.8
97.02947	2.2
98.95604	0.8
99.04525	0.3
99.84358	0.3
99.92586	0.8
100.93391	0.4
101.02415	0.3
105.03438	0.6
107.01371	0.6
109.02951	1.1
111.04496	1.2
111.08118	0.3
115.92060	1.1
116.92853	8.2
121.02911	0.5
123.00857	1.1
123.04478	0.3
124.01664	0.8
125.02439	74.0
126.02784	0.6
135.04611	0.4
135.08168	1.0
137.02454	3.5
137.06018	0.3
137.09712	0.5
139.04031	2.1
147.04451	0.3
149.02425	0.5
151.04010	0.7
155.10762	1.8
161.02448	5.1
164.01108	0.4
165.01924	2.5
166.99796	0.5
167.03526	1.9
169.01422	100.0
170.01764	1.0
175.03976	0.5
177.02016	0.4
177.05569	1.2
179.03525	1.7
179.07095	3.7
188.00734	0.3
191.07103	0.9
193.01443	3.0
199.09703	1.7
201.05562	0.7
203.03563	0.6
205.01407	0.6
209.85138	0.4
212.01744	0.3
219.06630	2.4
221.04547	1.5
223.09756	3.1
235.09721	1.0
241.10820	0.5
247.02490	0.3
261.07678	0.7
287.05591	1.1
301.12790	0.5
305.06659	8.2
319.04657	0.4
323.09235	0.4
331.04413	0.5
359.11331	1.1
367.11749	0.6
385.12985	2.6
403.13919	9.4
429.11719	1.9
457.07895	0.8
483.29553	0.3
498.31839	0.4
511.12714	0.4
555.13763	2.2
555.28076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22685	1.7
55.51601	1.5
59.01362	6.5
61.98826	18.7
69.18532	10.3
69.61505	1.6
71.01379	4.8
80.02668	1.7
83.05029	2.3
87.00842	1.6
88.98790	2.2
89.02428	3.0
92.56402	1.6
93.03445	2.8
98.40823	1.4
101.02412	3.7
108.02142	3.2
109.02930	6.4
121.02932	3.9
122.03771	12.3
123.04521	8.4
125.02486	2.5
129.76521	1.5
133.02945	4.4
135.04547	2.1
149.02422	19.2
149.06026	2.4
150.03214	100.0
151.04030	18.4
158.80333	1.5
159.04518	2.3
164.04782	5.6
165.05562	91.0
169.01321	2.4
173.06065	2.1
178.83104	1.5
180.04214	5.0
181.05048	17.6
195.06607	47.3
203.07094	1.8
209.11815	84.4
227.12836	10.8
241.05028	4.9
253.09242	10.1
269.08243	1.9
297.07455	3.1
299.09161	5.0
313.10870	4.1
316.02402	1.6
329.10187	2.1
344.12558	10.2
345.13248	1.9
359.14996	26.8
366.17825	1.5
371.11075	2.1
445.20389	2.3
461.16013	3.8
493.09698	4.3
507.12607	3.4
507.20193	68.4
508.20239	2.2
555.22412	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	555.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
61.98830	100.0
62.98532	0.9
71.01389	2.2
71.44870	0.6
71.45359	0.7
73.02959	1.5
81.03474	0.8
82.95429	2.4
85.02972	0.7
89.02487	0.7
93.03471	3.1
95.05028	0.9
96.96010	14.6
101.02485	1.1
101.06081	9.1
108.02177	0.9
109.02956	0.8
109.42432	0.6
113.02464	0.8
114.93423	1.0
116.92870	1.4
121.02950	4.8
122.03779	6.2
123.00920	0.8
123.04527	3.7
123.08174	0.8
124.01700	0.8
125.02447	5.4
133.02995	1.1
134.03824	0.8
136.01704	1.3
137.02493	2.1
137.06133	2.9
145.03001	0.8
149.02443	29.8
150.03229	39.0
151.03964	1.3
160.05345	1.3
161.02460	1.2
161.06107	1.3
163.04031	0.8
164.04773	6.8
165.05569	37.9
167.03461	0.8
169.01457	2.2
175.07767	0.8
177.05704	0.9
179.07164	1.4
180.04311	2.7
192.69638	0.7
195.06624	24.3
209.11884	1.4
225.07782	1.6
230.62526	0.8
257.38721	0.6
265.09079	0.7
268.10989	0.9
269.08325	2.0
269.11832	1.9
283.09790	1.3
296.10446	1.5
297.11227	7.0
298.11966	1.1
299.09274	1.6
311.09753	1.7
313.10974	1.0
314.11606	2.9
315.04987	0.8
315.12662	1.5
318.68106	0.7
326.08109	0.7
326.11713	2.6
329.13947	7.9
333.21014	1.3
340.77563	0.7
341.13956	4.0
351.18201	1.3
352.77020	0.6
393.18030	1.9
431.15317	2.0
433.16776	1.8
461.16647	0.8
462.16843	3.3
477.19263	8.7
489.19785	1.1
492.18100	1.0
507.20236	57.2
508.20798	1.4
555.20685	3.1
555.30109	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	555.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40737	1.3
59.01377	7.9
60.64547	1.4
61.98829	35.4
69.22906	4.6
69.23315	5.2
70.77225	1.6
71.01371	1.9
83.05037	3.0
88.98807	1.9
89.02456	2.0
90.40148	1.6
93.03423	3.8
101.02443	3.7
109.02957	10.8
111.80965	1.4
113.02451	2.9
116.92838	2.0
121.02958	6.5
122.03749	12.9
123.00883	1.9
123.04536	7.5
125.02453	3.8
133.02939	5.5
134.03738	2.0
135.04491	3.1
149.02423	18.0
150.03226	100.0
151.04005	18.2
159.04468	3.6
163.11256	1.8
164.04756	6.6
165.05568	96.9
169.01289	1.9
173.06006	1.6
180.04308	4.6
181.05049	15.3
189.05533	2.7
192.00674	3.9
193.01418	3.0
195.06618	61.7
207.03070	2.3
209.11827	70.8
227.12891	13.1
234.09024	1.6
236.41707	1.8
241.05022	3.6
253.09363	10.9
255.06618	2.5
267.06631	2.0
297.07935	1.6
299.09161	3.3
311.08850	1.7
313.10788	7.5
344.12701	10.0
359.14993	32.5
392.71088	1.9
443.14932	1.8
445.20508	2.1
461.16122	4.8
477.15549	2.1
493.09836	9.6
507.20239	83.3
508.20493	2.9
550.70868	2.0
555.22321	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	555.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01379	14.3
61.98828	9.3
67.36237	0.8
69.26600	4.7
71.01388	5.4
72.99307	1.7
73.02943	1.3
80.02654	0.9
83.01363	0.9
83.05010	4.1
83.62788	0.8
84.02193	1.4
84.14072	0.8
85.02954	2.2
88.98803	5.8
89.02436	4.7
95.01357	1.4
96.96002	4.8
98.95570	2.4
101.02432	3.7
108.02153	1.0
109.02940	1.1
111.24210	0.8
113.02431	3.4
119.03442	1.1
120.19798	0.9
121.02919	1.4
124.01686	1.0
125.02465	6.5
135.27261	0.8
137.02419	1.5
138.03262	0.8
141.01662	1.3
150.03281	1.9
153.01851	1.1
161.04530	1.6
163.11310	2.2
165.01895	1.7
165.05482	1.2
165.12851	3.1
167.03363	1.6
169.01428	4.3
195.06595	1.3
209.11824	100.0
227.12878	14.9
253.09271	14.2
271.04599	1.2
348.61685	1.0
385.12622	1.0
445.20862	2.6
555.15094	1.6
555.29077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40151	2.7
58.26590	1.9
71.43813	2.3
77.64785	2.1
82.95422	3.1
120.71629	2.5
123.00879	13.6
124.01667	8.6
137.02438	11.6
138.03189	2.5
139.00354	7.7
149.43581	2.2
150.03246	2.8
152.01129	10.2
165.01961	10.6
179.03453	5.1
191.07072	3.5
201.01945	3.4
215.03464	2.9
243.32175	2.3
329.17566	4.0
343.19089	6.8
386.77853	2.5
465.24051	2.7
483.31082	7.7
493.22281	5.1
497.25354	5.5
525.24707	20.8
555.29657	100.0
555.40021	14.0
556.29907	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	555.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37308	0.8
61.98813	1.3
78.95924	1.1
78.98585	1.5
79.95725	1.5
80.96510	8.8
87.75804	0.9
91.64101	0.8
93.33971	1.0
94.98066	2.7
97.02989	1.3
106.15857	1.0
108.02161	1.7
122.03728	1.2
122.96316	1.0
122.97580	1.5
123.00873	8.0
123.07912	0.9
124.01616	2.9
125.02475	1.4
137.02425	3.8
148.99146	1.2
149.02417	8.2
152.98575	1.4
158.03693	0.9
163.04047	4.2
164.98563	1.5
176.04742	1.2
177.05550	1.8
178.06239	1.2
225.00703	2.9
245.04381	0.9
255.23401	0.9
289.43234	0.9
421.27866	0.9
423.10889	1.7
429.22620	2.4
437.12430	2.6
438.13251	17.8
439.13669	1.3
439.21301	1.6
452.14600	3.0
453.15131	3.7
456.14508	0.9
457.22137	14.7
465.26346	1.3
470.11792	1.1
471.27560	1.7
475.24933	2.4
481.15182	58.7
481.25516	2.0
482.15289	3.9
483.27396	8.2
493.25739	4.6
495.16849	5.7
495.27301	2.1
496.17001	12.1
511.26932	30.9
512.27313	1.1
513.28748	1.2
525.14093	1.6
540.09589	0.9
540.16516	23.3
541.17035	1.8
554.18353	1.2
555.18835	37.0
555.29327	100.0
556.18726	2.5
556.29578	5.9
572.15466	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
58.96927	0.5
61.98832	3.8
65.03951	1.4
67.01888	1.5
68.08160	0.5
70.98794	0.9
74.48895	0.6
78.20109	0.5
95.01381	1.1
97.02929	1.3
97.06593	4.1
108.02169	2.3
109.02940	8.4
111.00882	0.5
121.02982	0.9
123.00885	0.9
124.01680	5.6
125.02462	1.5
135.04553	1.5
136.05374	0.6
137.02443	7.6
137.06116	0.7
138.03180	1.1
138.74911	0.5
146.03706	1.3
149.02434	0.8
149.06114	1.2
150.03209	2.2
150.55365	0.5
151.03979	2.4
160.05258	0.8
161.02446	1.8
162.06787	0.5
163.03975	1.7
164.04851	0.6
165.05481	1.3
174.03206	0.9
174.06894	0.5
175.03993	2.0
175.07788	0.6
176.04836	3.3
177.05545	3.1
179.07243	0.8
186.06905	0.6
187.04013	1.1
189.05562	1.6
190.02696	1.4
190.06366	3.5
191.07117	1.5
201.05482	0.8
202.06461	1.2
203.07161	2.0
219.06636	1.6
277.21753	2.5
315.19730	0.8
317.21268	0.8
357.24539	0.7
366.34576	0.6
367.19067	0.7
387.25488	0.9
398.24603	1.1
407.22400	0.6
415.25137	0.7
425.23370	4.0
437.26950	1.6
439.24695	4.1
442.23703	8.5
442.29575	1.1
443.24362	17.0
444.24902	0.9
453.30093	4.6
455.28091	2.2
456.25189	0.8
457.25961	18.1
458.26736	38.1
459.27725	0.8
465.26355	0.6
479.28012	4.3
483.27786	0.6
493.25943	0.6
496.28653	0.6
497.29092	27.5
498.29834	0.9
511.26956	3.3
512.31104	0.9
523.30780	1.9
540.30768	3.0
555.33289	100.0
556.33746	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	556.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57554	0.5
61.98829	100.0
69.42904	1.7
69.43317	1.0
80.21078	0.4
98.22624	1.2
109.02984	0.6
121.02965	0.7
124.01637	0.7
125.02463	1.0
137.02435	0.9
149.02487	1.4
150.03244	5.1
151.03734	1.7
164.01161	1.2
165.01993	0.5
165.05594	3.4
166.05913	0.8
169.01436	0.7
181.05112	0.7
192.00630	17.7
192.02278	1.0
193.01430	11.9
195.06677	1.8
207.03017	5.7
209.11848	1.8
210.12250	1.9
234.01729	0.9
235.02594	1.4
359.15036	1.3
360.15408	1.5
408.00583	0.5
478.78497	0.6
493.09869	29.2
507.20428	1.8
508.20380	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	556.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13522	0.1
58.25407	0.1
59.01368	0.2
61.98827	100.0
67.56108	0.1
88.93734	0.2
93.03455	0.2
107.05025	0.2
111.00881	0.2
121.02954	0.4
123.00891	0.3
124.01674	0.3
125.02518	0.2
136.01691	0.2
137.02438	0.4
139.04007	0.3
141.01778	0.1
145.02950	0.2
149.02425	0.5
151.04059	0.3
159.76012	0.2
161.02464	0.3
164.01181	1.0
165.01912	0.8
166.99878	0.2
168.00632	0.3
169.01445	0.2
177.01926	0.1
178.99934	0.4
179.03535	0.2
183.02968	0.4
189.01965	0.1
190.02577	0.4
191.03534	0.2
192.00639	18.2
193.01399	12.3
194.02049	0.6
205.01463	0.4
206.02202	0.3
207.02968	6.4
209.74054	0.2
210.01637	0.4
221.00954	0.3
222.01788	0.3
225.04007	0.7
234.01736	1.1
235.02417	0.7
249.04094	0.5
270.41461	0.2
309.06259	0.2
478.07285	0.5
493.09857	30.1
494.10162	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	556.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
61.98828	100.0
67.80843	0.2
69.22838	0.8
69.32597	0.2
71.01383	0.2
73.02955	0.5
104.87698	0.2
113.02488	0.3
123.63399	0.2
125.02480	0.7
148.56136	0.2
166.29221	0.2
169.01457	0.3
181.12238	0.3
211.13350	0.2
320.29626	0.2
351.21603	0.3
493.17188	0.3
512.22418	0.6
544.82709	0.2
556.28595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	2.3
59.01381	34.4
61.98811	2.3
71.01385	31.8
73.02962	8.8
83.01392	2.8
85.02965	11.9
88.78313	2.0
89.02447	23.8
99.00858	5.7
101.02452	23.9
101.21997	2.1
113.02441	12.4
119.03503	6.0
125.02415	5.1
131.03502	3.7
149.04510	6.1
159.02985	2.0
161.04562	9.4
191.33501	1.7
202.86452	1.8
219.17447	4.0
233.06621	1.9
339.82956	2.0
364.46307	2.0
381.18469	2.4
381.22836	26.5
513.27039	100.0
514.27771	3.3
542.23578	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	556.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06849	0.9
55.01860	1.5
57.65416	0.9
59.01380	23.7
67.93490	1.0
70.02200	1.2
70.02526	2.2
71.01380	33.2
72.99283	1.7
73.02948	12.7
83.01379	3.9
85.02946	15.9
87.00876	1.4
89.02444	14.2
95.01350	1.7
98.22575	1.3
99.00887	5.1
101.02448	26.8
113.02459	13.3
119.03496	1.4
125.02424	3.2
131.03497	2.1
143.03473	2.1
149.04561	3.8
159.03004	3.0
161.04597	11.3
191.05693	1.7
206.36546	1.1
219.17509	4.4
221.47752	1.0
233.06625	1.6
293.08707	1.6
381.22800	34.5
513.27026	100.0
514.27454	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	556.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.2
61.98823	2.5
67.37241	1.2
69.51775	1.4
71.01380	3.0
76.17033	1.4
89.02463	2.8
101.02440	3.3
111.07466	1.3
113.02465	1.4
179.30588	1.3
214.89793	1.2
235.08279	1.5
253.09309	19.6
277.21729	100.0
278.22095	2.6
279.23203	6.0
504.30722	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	556.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	6.4
59.32403	2.5
61.98816	9.4
71.44273	3.5
253.09242	14.3
277.21701	100.0
322.66306	3.6
405.28601	3.2
480.25735	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	557.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
61.98819	1.2
64.37748	0.3
71.01373	2.0
71.45566	0.4
72.99310	0.4
73.02924	0.4
78.81303	0.4
82.95404	0.5
84.01846	0.3
84.93878	1.3
84.95108	0.4
85.02966	0.8
89.02451	0.8
94.63907	0.4
96.96008	3.5
98.95599	2.6
98.96445	0.5
99.00883	0.6
99.92583	20.8
100.92695	0.3
100.93362	8.0
101.02450	0.8
113.02435	0.7
114.94966	0.4
115.92071	11.5
116.92859	100.0
117.92889	1.8
119.03490	0.5
125.02430	1.6
126.94976	0.4
137.02443	0.4
141.93747	0.6
142.94440	0.8
154.94498	0.4
156.92332	1.0
158.93825	0.8
161.04541	0.6
167.95200	0.5
173.92589	0.8
184.91862	2.0
184.95399	0.6
207.10323	0.4
209.11838	1.2
221.06784	0.4
226.96541	0.4
249.99475	0.9
259.96429	0.4
276.00964	1.1
291.03436	1.7
325.03802	0.5
335.22284	3.1
377.23566	0.5
395.24426	1.1
417.06418	0.7
435.07413	3.4
453.08746	1.5
471.09619	6.6
477.08627	1.4
483.09543	1.3
495.09457	1.7
497.27914	0.6
513.10712	16.0
514.10846	0.8
521.20453	0.8
557.09674	13.3
557.28992	1.5
558.10065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01373	3.9
60.10138	0.5
61.98829	1.3
69.12881	3.4
71.01360	1.7
76.00999	0.5
79.38642	0.5
84.18614	0.4
85.02945	0.6
89.02496	0.5
89.65585	0.5
93.03456	75.3
95.33891	0.5
98.21814	1.3
99.04452	0.5
101.02467	0.6
101.62208	0.4
121.02953	0.9
125.02451	5.2
137.02455	1.1
142.92468	0.5
161.02405	1.7
163.06142	0.8
169.06584	18.3
171.10274	0.6
183.11584	0.5
213.05569	100.0
214.05881	1.5
269.13953	3.9
279.08948	0.6
305.06668	1.1
343.08020	5.0
351.12854	1.1
557.14240	1.8
557.29144	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	557.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13461	3.2
57.03445	5.9
59.01110	5.0
59.01379	59.4
61.98829	43.1
64.57176	3.6
69.86977	4.0
71.01394	29.9
73.02931	8.9
78.95932	3.3
83.01381	5.2
84.95132	7.2
85.02943	11.7
87.00838	4.7
89.02440	13.5
95.01380	5.2
96.95367	5.0
96.96011	92.9
101.02464	20.5
101.37994	3.8
104.62576	3.6
109.02936	12.8
111.00885	6.6
113.02459	11.8
116.92834	4.9
119.03490	4.6
121.02987	5.0
123.04544	7.9
125.02444	26.4
137.02386	5.9
137.06041	5.3
137.86160	3.9
138.03149	4.7
139.98154	4.0
141.01685	9.1
153.01979	17.7
161.02359	4.7
165.05544	4.3
167.03452	7.9
169.01382	7.5
178.44685	4.1
179.07137	8.2
188.05353	4.2
188.08322	3.9
207.10147	4.0
217.15085	4.0
233.15424	27.3
299.09491	4.6
344.12439	10.4
351.18143	10.1
359.14951	22.0
395.20654	53.9
497.25818	12.4
513.23035	7.6
521.12976	13.2
521.20294	100.0
522.20770	5.2
557.16937	10.0
557.25824	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	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01374	7.4
61.98830	1.0
69.03451	0.8
69.44250	0.5
71.01385	2.9
71.05012	1.0
71.48592	0.6
72.99308	1.0
73.02946	5.8
81.03453	0.9
83.05001	1.2
85.02950	1.7
87.00863	4.0
89.02445	1.6
93.03462	0.8
95.01363	1.2
95.05014	2.9
96.02203	0.9
96.96031	1.4
97.06595	13.6
99.04510	2.0
101.02435	2.2
107.05029	1.1
109.02935	2.4
109.06600	1.8
111.04523	7.2
112.10852	0.5
113.02443	1.0
116.92857	4.1
117.01982	0.6
121.02959	1.6
122.03753	1.3
123.00867	3.7
123.04534	1.8
123.08152	1.0
124.01662	6.3
125.02453	7.8
125.06071	2.9
127.07634	1.3
135.04526	1.9
135.08217	0.9
137.02441	4.6
137.06078	2.9
137.09779	0.9
138.03230	3.9
139.04031	4.3
139.07652	10.7
141.01630	0.6
145.02910	0.7
149.02446	1.4
149.06062	0.6
149.99576	1.5
150.03217	5.6
151.04008	2.8
151.07626	1.9
153.01973	0.8
153.05557	4.7
155.07162	0.6
157.08705	31.8
163.04005	1.1
164.04794	1.4
165.05577	7.0
165.09219	0.8
167.10794	0.6
168.00626	2.7
169.01376	3.9
169.08682	2.4
177.01981	0.5
177.05554	0.9
178.06226	0.6
179.07127	9.9
187.09779	4.5
192.96582	0.5
195.06564	2.9
197.08229	0.9
207.10159	0.6
262.58209	0.5
289.14429	1.0
307.15500	5.2
315.74051	0.5
319.15573	2.9
325.16513	1.4
337.16534	21.8
338.16968	1.0
355.17642	12.1
361.16379	2.5
363.17850	0.7
381.19226	1.7
399.20239	15.2
443.33798	0.5
459.23651	0.7
467.28305	0.5
477.24762	3.5
495.14847	0.6
495.26035	8.1
509.21902	3.1
513.26208	3.1
521.20660	0.5
539.28741	1.2
557.29688	100.0
558.29755	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	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01374	7.4
61.98830	1.0
69.03451	0.8
69.44250	0.5
71.01385	2.9
71.05012	1.0
71.48592	0.6
72.99308	1.0
73.02946	5.8
81.03453	0.9
83.05001	1.2
85.02950	1.7
87.00863	4.0
89.02445	1.6
93.03462	0.8
95.01363	1.2
95.05014	2.9
96.02203	0.9
96.96031	1.4
97.06595	13.6
99.04510	2.0
101.02435	2.2
107.05029	1.1
109.02935	2.4
109.06600	1.8
111.04523	7.2
112.10852	0.5
113.02443	1.0
116.92857	4.1
117.01982	0.6
121.02959	1.6
122.03753	1.3
123.00867	3.7
123.04534	1.8
123.08152	1.0
124.01662	6.3
125.02453	7.8
125.06071	2.9
127.07634	1.3
135.04526	1.9
135.08217	0.9
137.02441	4.6
137.06078	2.9
137.09779	0.9
138.03230	3.9
139.04031	4.3
139.07652	10.7
141.01630	0.6
145.02910	0.7
149.02446	1.4
149.06062	0.6
149.99576	1.5
150.03217	5.6
151.04008	2.8
151.07626	1.9
153.01973	0.8
153.05557	4.7
155.07162	0.6
157.08705	31.8
163.04005	1.1
164.04794	1.4
165.05577	7.0
165.09219	0.8
167.10794	0.6
168.00626	2.7
169.01376	3.9
169.08682	2.4
177.01981	0.5
177.05554	0.9
178.06226	0.6
179.07127	9.9
187.09779	4.5
192.96582	0.5
195.06564	2.9
197.08229	0.9
207.10159	0.6
262.58209	0.5
289.14429	1.0
307.15500	5.2
315.74051	0.5
319.15573	2.9
325.16513	1.4
337.16534	21.8
338.16968	1.0
355.17642	12.1
361.16379	2.5
363.17850	0.7
381.19226	1.7
399.20239	15.2
443.33798	0.5
459.23651	0.7
467.28305	0.5
477.24762	3.5
495.14847	0.6
495.26035	8.1
509.21902	3.1
513.26208	3.1
521.20660	0.5
539.28741	1.2
557.29688	100.0
558.29755	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	557.31
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
50.53969	1.7
59.01379	24.1
61.98830	13.0
69.10140	10.4
71.01374	4.2
72.06877	1.6
73.02944	3.9
82.95400	6.3
84.95144	1.7
85.02928	1.7
87.00867	1.9
89.02457	3.3
97.97940	1.6
99.95927	1.6
101.02446	5.0
108.02193	4.8
109.02943	4.1
110.13272	1.6
116.92835	4.2
125.02470	10.6
128.07347	1.7
137.02499	3.7
141.01756	1.9
152.01154	6.8
153.01851	2.0
156.99127	1.6
167.03465	2.8
168.73434	2.1
169.01405	2.0
177.01932	2.2
193.05046	3.3
256.04379	2.2
264.91797	1.6
287.05609	1.7
335.22290	31.1
406.75687	1.8
434.44290	1.7
521.33240	29.8
557.18408	4.9
557.31049	100.0
558.31396	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	557.348
Annotation	Luvungin B
Peak:m/z	Relative Intensity
50.27015	0.8
55.01878	2.6
61.98820	8.3
69.31464	4.7
95.01380	1.8
95.05032	1.1
95.44954	0.8
98.22678	1.4
109.02944	1.5
113.30116	0.8
123.00887	12.3
124.01633	5.7
125.02438	2.5
136.05264	1.2
137.02431	1.8
138.03214	11.4
139.04018	5.5
148.05338	2.1
149.02457	1.3
149.06099	2.1
153.05589	1.9
158.83720	0.8
160.05298	3.1
161.06079	2.7
165.02115	1.0
173.06105	1.1
176.21783	0.9
177.01962	13.2
186.06717	0.9
189.09210	1.4
192.04294	20.2
198.06647	1.0
207.06615	48.1
214.06358	1.7
226.06313	2.3
241.04980	4.6
242.05896	3.6
253.04855	1.0
254.05760	2.7
255.06644	1.1
257.08112	3.4
269.04565	2.4
270.05365	9.4
271.06088	2.0
275.23822	1.3
284.06940	2.4
285.07703	2.0
329.24860	2.1
329.45688	1.0
331.26401	51.8
332.26685	1.8
341.24823	15.4
343.26401	30.7
344.26773	1.0
367.26248	1.5
381.27463	1.3
421.27481	3.8
423.28967	3.4
437.17984	1.6
437.26782	1.6
439.28171	1.0
449.27078	2.9
451.28329	1.9
452.29343	1.3
464.00433	0.9
464.25589	2.5
465.26401	8.7
467.27942	19.8
477.78336	1.0
479.27872	5.2
480.28757	1.2
481.29742	1.5
482.30563	1.4
488.62567	1.1
491.27628	1.2
495.31110	56.4
496.31265	3.0
497.32736	85.1
498.33179	3.3
509.32465	2.8
539.33752	100.0
540.34222	4.3
557.27356	1.7
557.34930	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	557.3481
Annotation	Luvungin B
Peak:m/z	Relative Intensity
54.40425	6.6
55.56325	6.9
71.45229	13.1
78.49422	8.1
86.59372	7.3
100.10319	8.4
134.57455	8.1
328.62698	8.5
508.29813	8.3
538.41290	8.1
557.34656	100.0
558.35327	10.5
573.75592	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	558.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13381	0.3
61.98827	100.0
63.63485	0.3
69.51768	1.5
75.42898	0.3
112.55929	0.3
137.02460	1.0
151.04045	0.8
184.57489	0.4
302.19055	0.4
379.22394	0.4
448.70853	0.4
449.23267	0.4
465.22842	0.8
480.25122	3.3
495.27496	15.4
496.28317	0.5
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
51.82629	1.3
61.98827	6.3
68.31860	1.4
69.74043	4.3
72.67717	2.1
78.95907	11.3
86.53433	1.9
93.32677	1.6
109.08670	1.4
140.01192	3.4
152.99608	1.8
162.96460	1.5
196.03801	4.9
214.04671	1.9
216.58673	1.4
237.96347	1.3
240.53783	1.5
244.69431	1.5
249.08493	1.4
258.57300	1.4
261.59933	1.8
279.23279	100.0
280.23718	2.9
338.75931	1.4
358.33771	1.6
433.91364	1.7
456.86450	1.6
476.27798	39.0
477.28281	2.3
517.02747	1.7
558.26642	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	558.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29745	0.2
61.98828	100.0
69.60786	0.5
116.99839	0.2
120.32202	0.2
123.04563	0.4
151.04002	0.5
161.33505	0.2
165.05592	0.6
171.63866	0.2
182.59026	0.2
215.89447	0.2
463.28558	0.3
480.28882	2.6
495.31155	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	558.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93431	2.7
59.01369	4.6
59.61262	3.1
61.98820	6.8
64.59794	2.7
68.84769	2.6
71.46464	4.2
78.95887	8.7
96.24046	2.8
97.76325	2.6
121.69869	3.4
122.53226	3.0
253.09178	18.0
279.23273	100.0
281.24780	9.4
349.20242	3.9
506.32526	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	558.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
61.98830	5.5
67.80754	0.8
71.01376	2.0
71.14178	0.8
71.29473	0.8
73.02973	0.9
76.84961	0.7
80.69582	0.8
81.12254	0.7
89.02434	2.4
101.02429	3.3
116.92865	1.2
156.89128	0.9
207.87450	1.1
235.08151	2.2
253.09248	14.0
279.23282	100.0
280.23718	2.4
281.24734	2.8
300.01886	1.1
392.17828	0.7
452.06573	1.3
460.77805	0.8
506.32553	1.9
558.08899	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	559.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98826	7.4
66.95905	2.3
70.93623	0.8
71.01374	1.4
71.05010	1.3
73.02937	1.5
74.14600	0.7
80.91699	2.1
82.95414	100.0
85.02946	1.3
89.02435	1.5
89.37990	0.8
96.96005	1.4
101.02419	1.0
113.02405	1.1
113.23578	0.7
121.02974	0.9
125.02449	1.3
138.03232	1.4
197.04572	0.9
251.16533	1.1
265.14709	0.9
382.23895	0.9
508.87488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
59.01382	3.8
61.98830	4.1
63.10320	0.4
63.96213	1.0
68.19133	0.4
69.03442	0.7
71.01383	7.2
73.02937	2.2
78.98591	4.3
79.95734	7.4
80.96513	52.4
81.03429	0.8
82.95438	0.4
83.01384	0.4
85.02956	2.2
87.00857	2.7
89.02425	0.9
94.97476	0.8
94.98083	16.2
95.01392	0.6
96.95998	2.8
97.02931	1.3
99.00864	0.9
101.02429	3.3
106.98075	2.7
113.02462	1.0
116.92866	1.4
122.97575	2.3
125.02444	10.6
134.97572	2.7
136.99142	0.9
137.02412	0.8
138.03152	0.5
143.03445	0.5
148.99138	4.7
151.07634	0.8
152.98639	4.4
154.63368	0.5
161.02448	3.2
163.06175	0.5
164.98631	8.8
165.05554	0.9
169.01395	1.1
177.01903	0.5
192.00632	0.6
193.01292	0.5
206.99635	2.1
209.11775	2.5
225.00742	16.2
271.08148	1.0
287.05582	0.6
299.04434	3.1
346.93198	0.5
479.08426	0.6
527.17950	3.2
559.20605	100.0
560.20599	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	559.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90107	0.5
57.03445	2.5
59.01380	3.6
61.98801	0.6
63.96237	0.8
69.03440	0.5
69.27690	2.3
69.28092	0.7
71.01379	5.7
73.02947	2.2
78.98586	5.3
79.95734	7.9
80.96514	53.0
81.03458	1.1
83.01376	1.1
85.02966	2.8
85.16714	0.3
87.00883	2.3
88.98786	0.5
89.02438	0.9
94.97466	0.9
94.98080	12.6
95.04994	0.5
96.96013	1.3
97.02937	1.1
98.21880	0.8
99.00915	0.5
99.92591	0.8
101.02440	3.0
105.03439	0.7
106.98107	2.4
107.99620	0.4
108.00455	0.4
111.00849	0.7
113.02428	1.0
116.01822	0.5
116.92863	9.8
119.03555	0.5
122.97590	4.3
125.02449	18.9
127.04005	1.1
134.97588	3.6
135.13840	0.4
136.99118	0.8
137.02420	1.5
148.99162	5.0
152.98624	4.6
154.00343	0.4
155.10844	0.6
161.02440	7.3
164.98625	9.7
165.01810	0.4
167.00175	0.7
169.01456	0.9
175.03886	0.4
182.99677	2.2
183.10175	1.3
193.01398	0.6
206.99661	3.0
207.58791	0.5
209.11818	3.5
225.00740	20.6
227.09251	5.3
243.01772	1.9
269.04300	0.9
271.02545	0.6
287.05511	2.0
299.04376	3.6
316.02365	0.9
340.61630	0.4
377.12244	0.6
441.12567	0.5
448.28128	0.5
463.08902	1.6
476.92142	0.4
477.18027	0.6
497.09402	1.1
504.98953	0.5
517.08606	0.5
527.18091	2.3
559.20636	100.0
560.21002	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	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23926	0.6
55.01875	3.7
57.03450	3.3
57.04948	0.6
58.00595	1.1
59.01379	51.9
61.98833	4.0
69.03458	0.8
70.51611	1.2
71.01381	56.4
72.99313	2.2
73.02945	16.3
75.00862	2.2
80.91685	1.5
82.95393	1.0
83.01392	9.2
84.95110	6.0
85.00447	3.4
85.02947	25.8
87.00888	4.6
88.98804	1.8
89.02446	23.4
95.01395	5.5
96.96026	1.0
97.02946	1.8
99.00886	7.6
101.02441	43.7
111.00867	3.0
113.02444	29.0
119.03502	10.5
125.02432	6.4
129.01917	1.3
131.03502	2.8
141.01773	1.4
143.03506	4.2
149.04588	0.8
159.03004	3.7
159.10262	0.8
161.04555	25.8
161.08247	0.7
167.03465	0.7
169.01450	1.4
179.05608	8.1
205.12302	0.7
221.06642	6.1
235.17018	3.0
249.06209	0.9
262.32281	0.6
263.07751	1.9
267.07251	2.2
397.22278	50.0
398.22693	1.6
455.19357	2.0
499.18265	1.6
559.27576	100.0
560.27985	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.3
68.14495	2.8
69.48014	5.5
69.48353	11.4
75.26897	2.6
78.95909	9.6
99.15777	2.9
104.42517	3.2
152.99634	4.1
245.69316	3.3
276.85928	3.3
277.21729	100.0
350.35229	3.5
373.02332	3.5
502.29401	59.2
539.31525	3.2
558.01831	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	559.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03620	2.8
58.77697	3.5
61.98821	9.0
78.35788	3.4
78.95898	29.6
83.63067	3.3
107.49123	3.6
115.88538	3.5
149.89568	3.1
152.99559	3.9
183.51277	3.5
224.06944	11.4
230.76082	3.5
277.21719	89.1
502.29391	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	560.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31005	5.5
59.01380	94.1
60.24255	5.3
61.98828	100.0
69.38902	26.1
71.01384	71.2
73.02950	20.9
74.79176	5.5
83.01378	11.1
85.02951	25.3
87.00883	11.2
89.02433	61.3
101.02445	50.0
108.75043	5.5
108.84287	5.2
113.02474	27.0
119.03513	19.0
122.03746	17.6
125.02457	23.0
125.87341	7.2
131.03551	9.5
138.03220	9.1
143.03513	9.4
161.04529	35.0
167.03540	5.7
174.77876	6.4
178.09981	22.8
179.05569	14.8
193.12350	68.9
221.06654	15.0
240.05867	5.3
263.07803	6.5
268.18170	5.2
291.94882	6.3
323.09808	46.3
355.17648	7.2
383.24112	7.3
397.26462	6.0
398.26373	10.2
467.74350	6.3
498.62494	6.5
517.22845	70.8
524.10608	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	560.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84657	0.3
59.01375	1.8
61.98829	100.0
65.93464	0.4
69.26646	1.6
70.60152	0.3
71.01382	0.9
88.98812	0.3
96.96014	0.8
101.02427	0.8
119.03465	0.3
125.02468	0.5
136.76923	0.3
149.06105	1.4
150.06380	0.5
153.02014	0.4
175.07642	1.0
176.07976	0.7
198.99379	0.3
205.97617	0.3
237.07764	1.2
238.08130	0.6
251.16504	0.4
325.84961	0.4
328.15723	0.3
350.25742	0.3
404.04184	0.4
497.21704	0.6
501.23709	0.5
516.96735	0.3
560.27966	0.7
561.29816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
61.98827	100.0
69.25989	1.1
71.01392	0.6
89.02445	0.4
98.22567	0.4
99.00881	0.3
101.02430	0.3
101.97839	0.2
107.93768	0.2
109.28455	0.2
110.84167	0.2
113.02454	0.2
163.09534	0.2
193.12379	0.6
194.12737	0.6
249.61731	0.2
524.10980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.55146	0.3
62.66089	0.3
69.78799	1.1
73.56331	0.3
76.34042	0.3
98.22636	0.4
109.02971	0.4
114.37074	0.4
119.84057	0.3
125.87310	0.3
137.02441	0.4
151.03989	0.9
201.82590	0.3
482.26630	2.7
497.29077	11.8
498.29254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.47653	0.4
68.60526	0.5
69.33228	0.4
71.40813	0.4
71.42870	0.5
78.91900	1.4
80.91694	1.0
106.05527	0.4
110.83076	0.4
116.83221	0.4
123.04517	0.6
138.23413	0.4
169.83133	0.4
201.96568	0.4
205.97272	0.4
233.80502	0.5
271.48901	0.4
482.30139	1.9
497.32788	5.1
560.29358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72358	1.4
59.01376	3.8
61.98824	2.9
70.92030	2.0
86.37275	1.5
89.02406	2.2
101.02445	1.4
114.24918	1.4
158.99878	1.5
162.83968	1.3
194.78885	1.3
224.68768	1.2
235.08321	3.3
253.09288	14.2
281.24857	100.0
282.25186	2.9
343.92181	1.5
542.32965	1.6
545.13501	3.1
560.16187	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	560.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.0
61.92243	0.7
68.38087	0.7
71.01386	1.4
73.02966	0.8
89.02440	1.4
98.22684	1.7
101.02459	1.8
112.14342	0.8
133.89737	0.8
159.75388	0.8
161.04535	1.1
164.83620	1.2
217.10515	0.8
221.84192	1.9
235.08229	2.9
253.09271	13.7
281.24854	100.0
282.25250	1.8
489.08212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01200	0.1
59.01365	0.4
62.32455	0.1
63.21351	0.1
65.00321	0.2
68.70609	0.1
69.37633	0.6
71.01379	0.2
71.12261	0.1
79.95735	2.6
81.61054	0.1
85.02985	0.1
88.98821	0.2
96.96005	100.0
98.22584	0.3
101.02414	0.2
107.01354	0.2
111.63142	0.1
113.02451	0.2
117.15848	0.1
117.44159	0.1
137.02473	0.2
151.00308	1.0
164.81812	0.2
165.81288	0.2
178.99884	0.3
212.69855	0.2
220.97749	0.2
242.02206	0.2
259.02380	0.2
271.02420	1.0
276.96701	0.2
287.01923	0.4
293.43411	0.2
316.02191	2.7
317.02936	0.4
326.98050	0.3
372.98553	0.4
414.99832	4.8
463.02216	0.2
463.08789	3.5
543.00757	0.4
561.21918	0.2
561.29919	0.2
569.64807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
69.44458	0.6
71.01368	1.1
71.63543	0.2
73.02917	0.3
79.95739	2.5
82.95409	0.4
86.78860	0.2
89.02448	0.9
96.96007	100.0
98.21867	0.5
101.02453	0.5
111.00864	0.4
113.02460	0.6
123.04395	0.2
125.02438	0.7
134.24881	0.2
153.01982	0.3
161.04553	0.3
176.87314	0.2
177.01996	0.2
179.05640	0.4
192.00699	1.4
193.01398	0.7
195.02890	0.3
202.79521	0.2
221.98466	0.2
247.96382	0.4
289.97433	2.0
290.98337	0.4
305.96890	0.3
320.99265	0.3
425.04083	3.9
463.08911	2.1
490.40341	0.2
546.03363	0.8
561.05847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98825	12.7
69.03448	7.4
70.29339	5.2
70.29658	2.9
71.01378	40.4
73.02943	62.9
75.00900	3.2
77.49833	2.9
81.03474	3.5
83.01384	16.9
84.95087	4.2
85.02958	9.4
87.00880	4.0
88.98743	5.4
89.02441	13.7
91.01939	8.2
92.07410	3.1
93.03442	7.3
96.96026	12.8
97.02944	7.4
99.00856	3.9
101.02441	60.2
111.00908	18.6
113.02444	15.5
114.85931	3.2
114.86798	3.6
114.93413	5.5
115.04035	10.4
116.92855	3.5
119.03503	5.7
121.02893	7.8
125.02449	32.5
125.18587	3.0
137.02437	9.2
139.04079	3.5
143.03503	5.0
149.04535	5.4
151.04002	60.7
161.04543	18.3
169.01353	6.5
175.03885	7.6
177.02005	5.2
202.40630	4.0
203.05576	7.2
221.06636	8.8
237.14919	5.4
243.02904	5.3
253.05251	3.0
255.02998	3.4
263.07568	16.2
267.25092	3.4
295.77469	3.4
304.98309	3.9
305.08823	7.2
323.09772	12.6
349.00769	5.3
365.10724	6.8
372.05591	3.2
418.22949	3.5
423.07080	8.1
441.21170	4.2
479.08356	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	561.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
59.01381	1.7
65.03191	0.2
65.25822	0.2
69.52975	0.5
71.01376	2.3
73.02957	0.7
76.40816	0.2
78.78056	0.2
78.95902	5.7
79.95728	2.0
83.01391	0.5
85.02945	0.6
89.02445	0.6
95.01413	0.2
96.96011	100.0
96.96917	10.4
97.03007	0.2
99.00926	0.2
101.02455	1.3
107.89826	0.2
111.00888	0.4
113.02421	0.8
118.96635	0.6
119.03452	0.2
125.02424	0.4
132.98169	0.5
156.98190	0.7
160.97682	0.4
161.04572	0.4
170.99730	0.8
178.06401	0.3
182.99812	0.3
186.99263	0.4
198.99240	0.9
210.99283	0.2
237.14944	0.4
259.01407	0.7
308.13754	0.5
308.63843	0.8
309.13892	0.2
372.97733	0.2
397.66232	0.2
398.16702	0.5
398.66879	0.4
423.07050	0.3
429.14401	1.2
441.21112	0.8
455.22760	0.5
463.21851	1.1
471.22238	0.4
472.22699	0.6
479.69656	0.8
480.19794	0.4
561.18683	6.8
562.18768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
59.01381	1.7
65.03191	0.2
65.25822	0.2
69.52975	0.5
71.01376	2.3
73.02957	0.7
76.40816	0.2
78.78056	0.2
78.95902	5.7
79.95728	2.0
83.01391	0.5
85.02945	0.6
89.02445	0.6
95.01413	0.2
96.96011	100.0
96.96917	10.4
97.03007	0.2
99.00926	0.2
101.02455	1.3
107.89826	0.2
111.00888	0.4
113.02421	0.8
118.96635	0.6
119.03452	0.2
125.02424	0.4
132.98169	0.5
156.98190	0.7
160.97682	0.4
161.04572	0.4
170.99730	0.8
178.06401	0.3
182.99812	0.3
186.99263	0.4
198.99240	0.9
210.99283	0.2
237.14944	0.4
259.01407	0.7
308.13754	0.5
308.63843	0.8
309.13892	0.2
372.97733	0.2
397.66232	0.2
398.16702	0.5
398.66879	0.4
423.07050	0.3
429.14401	1.2
441.21112	0.8
455.22760	0.5
463.21851	1.1
471.22238	0.4
472.22699	0.6
479.69656	0.8
480.19794	0.4
561.18683	6.8
562.18768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.73279	0.9
57.03456	1.1
59.01377	38.9
61.98833	6.7
68.99545	5.2
69.03442	1.8
69.18266	2.1
69.18672	4.0
71.01380	44.4
73.02934	7.4
81.03457	1.9
82.56400	0.9
82.95404	3.6
83.01385	4.3
85.02950	10.4
87.00853	1.6
89.02441	39.2
93.03469	1.1
95.01380	2.5
97.02952	3.2
99.00861	2.9
101.02435	17.8
108.02167	10.0
109.02971	1.0
110.64729	0.9
111.00844	1.3
112.98554	3.5
113.02448	12.9
119.03481	4.2
121.03008	1.2
122.03748	2.6
125.02448	18.9
131.03461	8.0
136.01680	1.8
136.05333	4.9
136.97156	0.9
143.03528	2.0
146.08208	1.0
149.04546	14.6
161.04489	6.4
163.04041	1.3
163.06235	1.6
164.08383	7.4
179.05571	2.4
182.03697	1.2
191.05589	3.0
191.07170	2.0
192.00659	1.1
192.07907	17.2
196.05331	1.9
196.07137	1.3
197.04619	1.4
197.06157	1.2
207.10262	100.0
208.10574	2.2
211.03920	1.5
212.04814	4.8
224.04764	4.1
233.06680	2.8
239.03543	2.4
240.04234	10.9
241.05020	2.4
257.08188	2.1
267.03012	3.2
268.03726	5.2
283.06113	40.3
284.06314	1.3
293.08792	33.3
301.07187	3.4
301.84586	1.0
360.08841	1.0
399.23764	4.8
420.16467	1.1
561.19598	2.1
561.28949	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	561.2181
Annotation	Kunzeaphlogin D
Peak:m/z	Relative Intensity
55.01884	0.7
59.01375	10.7
61.98829	1.1
71.01378	10.7
71.45303	0.7
73.02942	3.3
76.13692	0.6
83.01398	1.2
84.06686	0.6
85.02945	3.7
87.00900	0.8
89.02437	5.5
95.01392	1.1
96.96014	20.6
96.96950	0.8
99.00900	1.3
101.02438	6.8
109.02914	0.7
109.89281	0.6
111.00906	1.0
113.02465	4.6
119.03516	1.6
123.00950	0.8
125.02426	2.0
135.04611	0.7
136.05322	2.6
149.04544	1.0
149.06097	1.4
153.44987	0.7
159.03145	0.6
161.04549	2.6
161.09738	3.4
163.07700	0.8
177.09212	17.3
178.09993	3.0
193.12285	1.5
204.07898	3.9
205.08746	2.4
219.10248	15.9
221.06540	0.9
237.11316	96.7
238.11635	1.6
251.12926	1.9
264.10629	0.6
279.12411	1.0
302.10477	0.6
308.99130	1.3
327.12256	1.1
339.14731	3.2
381.15439	1.2
399.16464	3.0
399.24017	0.7
433.77643	0.7
485.03976	0.7
515.08276	0.8
523.22345	0.7
561.21759	100.0
562.22247	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	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	4.0
59.01381	74.5
61.98829	40.2
64.95821	3.8
69.03442	7.1
70.97298	5.4
71.01384	67.3
73.02952	9.4
73.39450	3.5
85.02940	8.5
89.02439	84.2
97.02937	11.1
99.00867	9.0
99.04505	4.6
101.02441	16.1
108.64285	3.7
113.02419	12.3
115.04057	4.3
119.03508	4.5
125.02464	36.6
131.03511	12.3
149.04523	15.9
157.66133	3.7
191.03560	5.9
191.05521	8.8
192.11539	11.3
207.13850	22.0
233.06693	34.6
242.75755	4.1
264.35052	4.0
293.08789	100.0
501.23425	10.8
568.11548	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	561.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03426	0.6
58.00589	0.2
59.01382	6.8
60.99300	1.9
68.04379	0.1
69.03435	0.2
69.14953	1.0
71.01380	4.7
71.04998	0.6
72.18722	0.1
72.99311	0.2
73.02573	0.1
73.02943	2.5
75.00853	0.1
83.01384	1.7
85.02460	0.3
85.02950	3.3
86.00097	0.5
86.02866	0.1
87.00858	0.6
88.98804	11.7
89.02451	1.0
95.01373	0.3
95.05003	0.3
95.59970	0.2
96.95992	0.2
97.02927	0.2
98.21786	0.3
99.00855	0.7
101.02444	4.3
109.02966	0.2
111.00883	2.2
113.02452	1.7
122.03745	0.2
123.08143	0.2
124.01637	0.4
125.01608	0.2
125.02442	1.7
126.74352	0.1
129.01917	0.4
131.03419	0.2
135.11777	0.4
136.05304	0.3
137.02374	0.3
137.09726	0.2
137.65852	0.2
141.01924	0.6
143.03526	0.1
150.06865	0.3
159.02985	0.4
161.02417	0.6
165.05589	0.2
167.03558	0.2
168.00574	0.4
183.02974	1.4
192.00642	0.3
193.01320	0.2
198.91881	0.2
219.13829	0.8
235.13429	0.3
237.14949	51.9
238.15266	1.2
279.15961	0.3
287.05582	0.4
311.06052	0.2
340.40576	0.2
342.39227	0.2
353.64713	0.2
361.16516	1.1
381.19214	0.2
399.20233	100.0
400.20541	3.8
409.06171	0.2
429.47305	0.2
479.08289	0.5
561.25720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52806	1.8
59.01377	100.0
60.98737	1.6
61.98828	16.3
65.55576	1.7
69.03451	5.7
69.58027	1.7
71.01378	43.4
71.44166	1.8
72.99305	6.3
73.02945	23.5
81.03437	3.7
83.01375	5.3
84.63090	1.5
85.02962	19.6
87.00854	2.2
89.02437	24.6
96.96020	2.3
97.02934	6.9
99.00883	2.4
101.02441	31.9
103.04006	30.2
113.02435	3.1
115.03991	2.5
119.03493	15.3
122.03742	9.9
125.01519	2.0
125.02444	35.3
127.04008	4.3
132.62094	1.6
143.03455	3.8
145.05051	5.9
163.04840	1.2
163.06117	30.4
178.09937	6.3
187.47858	1.5
193.12337	24.5
198.56018	1.6
200.58170	1.7
205.06909	1.8
237.14764	2.2
246.59627	1.8
247.08197	8.7
307.10355	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.4
57.03459	0.5
59.01378	5.9
59.73163	0.3
61.98861	1.3
70.28771	0.7
71.01379	6.4
73.02950	2.4
82.00684	0.4
82.95467	1.2
83.01418	1.0
85.02954	3.3
87.00924	1.2
89.02434	2.5
95.01389	0.8
95.52028	0.3
96.96061	1.1
99.00914	0.8
101.02446	4.8
107.05035	0.6
113.02436	3.0
116.92859	0.4
119.03557	0.5
122.03794	1.3
123.04520	3.2
124.05280	0.5
125.02484	0.7
135.04529	0.8
136.01794	0.4
137.02470	1.0
137.06110	0.3
138.03220	16.0
143.03534	0.7
148.05281	1.7
151.04001	11.4
152.04794	4.5
156.12010	0.4
159.03036	0.4
161.04530	2.3
165.05557	2.9
166.02725	1.1
166.06322	0.4
179.05640	0.4
181.15993	0.4
191.14438	0.7
200.26823	0.4
207.13879	3.9
209.15517	0.8
219.13919	3.9
221.12012	0.4
222.12593	3.7
224.36406	0.5
235.13377	11.8
236.11615	0.7
236.14156	63.8
237.14937	100.0
238.15213	2.7
249.14993	1.2
261.14911	2.3
263.16324	0.4
267.16058	0.6
279.15900	1.3
291.15924	0.5
357.13394	0.5
399.20160	46.0
400.20474	1.9
444.70602	0.4
488.08810	0.4
488.15970	0.4
525.22968	0.4
561.25214	29.4
562.25470	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	561.2911
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01879	2.8
57.03445	3.3
58.00599	0.5
59.01379	34.9
61.98825	1.8
62.53600	0.2
67.01919	0.3
68.99550	0.4
69.03450	0.9
69.18192	1.4
71.01380	53.1
72.01734	0.3
72.99297	1.5
73.02945	18.5
75.00874	0.9
81.03481	0.3
82.95419	0.8
83.01384	8.9
85.02949	23.7
87.00867	2.4
89.02445	14.5
89.03012	0.5
95.01387	4.9
97.02954	2.3
99.00875	5.9
100.20702	0.2
101.02443	44.0
102.02774	0.4
105.94022	0.2
111.00886	1.3
112.01707	0.3
112.98615	0.6
113.02452	25.7
114.02802	0.3
115.03984	0.3
119.03496	5.0
119.04305	0.4
122.25013	0.2
125.02444	3.9
129.01955	1.1
131.03506	1.4
137.02461	0.3
141.01857	0.5
143.03497	3.6
159.03000	4.3
161.04558	24.9
162.04945	0.4
179.05612	4.6
196.91907	0.3
205.03484	0.4
215.38838	0.3
219.17578	0.6
221.06613	1.6
233.06752	0.4
237.18579	1.5
245.06664	0.6
263.07639	1.4
283.06219	0.4
299.87845	0.3
323.09760	1.1
399.23859	36.5
400.24347	0.7
443.22964	1.5
463.98523	0.3
561.29138	100.0
562.29529	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	561.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36283	1.5
59.01376	51.8
61.34016	1.7
61.98836	10.5
70.97588	3.0
71.01376	18.7
73.02555	2.1
73.02945	23.4
73.43246	1.5
83.01385	3.8
84.50150	2.3
85.02945	5.1
87.00867	3.0
89.02438	8.6
89.23360	1.5
92.45582	1.5
96.96016	4.2
99.00872	1.7
101.02429	16.6
109.02938	1.7
110.75781	2.0
113.02444	5.9
119.03477	3.8
123.04556	2.7
125.02422	4.9
171.10306	10.2
183.13786	2.1
202.07465	1.9
202.52078	1.5
209.11720	2.0
244.87692	1.8
286.22394	1.5
287.01874	3.5
295.22708	17.4
298.70486	2.0
313.23865	3.4
315.01303	4.1
357.48135	1.9
371.96768	1.7
457.28073	5.3
475.28989	15.1
489.67740	2.0
503.85977	1.9
517.30164	100.0
518.30182	3.7
561.16248	4.0
561.32446	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
59.95803	1.8
61.98819	3.0
78.95898	24.1
79.18415	1.6
114.60074	1.6
123.66899	1.8
125.02438	6.2
152.99561	2.2
168.04330	3.0
181.38873	2.0
190.16350	1.7
198.06282	1.7
224.06891	7.8
242.13791	1.7
244.60956	1.8
279.23282	100.0
388.92786	1.8
414.04099	1.9
490.97800	2.2
504.30948	92.9
505.31277	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	561.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.0
67.83893	0.6
68.20528	0.6
69.88209	0.6
69.88532	1.2
78.95903	6.5
147.13924	0.5
149.10855	0.6
152.99536	2.9
155.84325	0.6
167.76021	0.6
168.04344	1.2
179.89029	0.5
179.91072	0.6
209.56894	0.8
224.06938	0.7
242.08171	3.2
257.75070	0.6
279.23288	100.0
280.23608	2.2
476.27509	0.8
504.30963	44.7
505.31250	1.3
513.48798	0.5
516.05640	0.8
549.34442	0.6
561.33398	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	562.156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	19.4
58.69648	1.2
59.01363	1.8
61.84408	1.0
64.35248	1.2
69.77050	3.4
70.02962	3.7
72.00911	2.7
74.69448	1.0
91.05525	7.3
92.62593	1.1
94.03684	1.2
102.10776	1.0
125.02467	2.3
128.52538	1.1
147.04515	16.8
164.05821	2.5
164.07161	51.2
169.01331	1.3
206.08211	100.0
207.08459	1.3
237.15030	1.2
264.38983	1.1
376.45041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67301	0.3
55.18755	0.4
59.01378	2.2
66.95918	2.4
69.31323	1.4
71.01382	1.0
72.99313	0.8
73.02952	0.3
82.95413	100.0
85.02946	0.5
87.00880	0.7
88.15729	0.3
101.02442	0.8
108.02178	0.3
109.02924	0.4
121.02958	1.4
123.00886	0.9
124.01666	0.6
125.02463	2.1
135.77872	0.4
137.02449	0.7
139.04019	0.9
149.02428	0.5
151.00339	0.5
151.04021	0.5
161.02423	0.3
164.01138	0.7
165.01958	0.6
165.59685	0.3
167.46617	0.3
168.00653	0.6
169.01434	2.0
177.02026	0.4
180.07860	0.4
185.11787	0.3
190.02682	0.5
192.00647	8.9
193.01418	12.3
194.02061	0.5
195.03009	3.0
207.02998	2.9
211.02388	2.1
221.08182	0.9
224.06859	2.3
234.01729	1.1
235.02451	1.0
237.11288	0.4
239.09244	2.9
239.12897	0.5
244.74591	0.3
262.38202	0.4
271.04742	0.8
297.21078	0.3
306.78082	0.4
312.04843	1.0
313.05527	1.6
313.10953	0.4
327.07358	0.5
359.15109	1.4
401.14743	2.5
411.06537	1.0
464.05750	0.4
479.08307	28.5
480.08469	0.7
491.19507	1.5
501.22794	0.4
512.40479	0.4
519.24432	2.3
563.14587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1193
Annotation	Theaflavin
Peak:m/z	Relative Intensity
55.70557	1.3
57.03445	12.0
59.01376	23.5
60.35131	1.4
61.98827	2.7
69.28301	7.8
71.01376	9.3
72.99290	3.3
73.02907	2.2
81.03442	7.1
82.95418	3.7
83.01399	10.4
83.01860	1.6
85.02950	5.4
87.00884	1.6
89.02440	3.3
93.03465	4.0
95.05012	6.1
96.36368	1.7
97.02948	6.1
99.00909	2.2
99.04486	4.1
101.02422	6.5
107.04992	1.8
109.02930	3.4
113.02452	3.5
113.06071	3.6
121.02960	4.0
123.00828	2.8
123.04502	4.0
124.01627	2.3
125.02446	62.9
135.04526	2.5
137.02446	46.3
138.03256	1.8
139.04007	6.0
147.04573	1.3
150.03236	1.7
151.04010	10.4
159.04518	2.3
161.02448	2.1
164.01122	6.0
165.01917	17.4
167.03491	29.4
169.01393	6.9
171.04491	1.6
172.05367	1.5
173.06039	5.5
175.03992	3.0
177.01909	3.9
177.64879	1.4
179.03500	6.7
181.05074	11.9
185.06079	5.8
187.03960	3.4
188.04645	3.0
189.05560	6.4
190.02641	1.7
191.03514	1.8
193.01335	2.3
195.04372	1.7
197.06119	1.9
199.04008	1.6
201.05583	8.2
202.06393	2.1
203.03592	1.8
203.07141	2.7
205.05014	2.0
211.03990	5.2
212.04686	4.5
213.05568	16.1
214.02635	2.2
215.03500	9.9
215.07068	1.8
216.04112	2.0
217.05074	7.5
225.05551	6.1
227.03493	4.3
228.04295	3.6
229.05040	21.1
230.05688	2.0
231.06589	5.2
239.03564	2.2
240.04198	3.3
241.05054	100.0
242.02188	3.9
242.05350	1.5
243.02966	7.4
244.03719	2.1
245.04568	2.9
251.03427	2.4
251.07239	1.9
253.05051	12.1
255.02983	1.9
256.03723	1.9
257.04523	28.4
258.05066	2.6
259.06070	6.5
263.03351	1.6
263.07034	1.6
264.04211	2.2
265.05005	4.0
265.08557	1.6
267.03326	1.4
267.06708	2.5
269.04529	31.7
270.05316	2.7
271.06076	3.9
275.07184	2.0
277.04968	1.8
279.06607	3.7
281.04504	12.1
281.07904	2.5
287.05710	1.7
291.06604	3.4
292.07394	1.8
293.04547	2.3
293.08124	3.8
295.06110	4.7
297.07538	3.0
299.05630	2.7
303.06522	3.3
305.08096	3.0
307.06003	3.0
309.07629	2.5
319.05917	4.2
321.04202	1.6
321.07623	6.0
323.09186	1.9
333.07678	2.8
335.05685	2.2
335.09311	4.2
337.06958	2.1
339.08719	1.9
345.07764	2.5
349.06897	2.0
351.08740	2.4
353.10165	3.2
355.08160	2.8
361.07117	5.8
363.08838	5.4
365.06674	1.8
377.06583	4.0
379.08249	10.5
381.10056	2.5
383.07605	1.5
389.06482	8.7
393.10226	1.8
395.07651	7.5
397.09479	8.8
401.06683	2.5
407.07602	12.6
419.07605	5.3
424.07941	4.3
425.08771	15.5
437.08676	3.1
461.08423	2.1
475.24640	1.8
477.11899	3.5
479.09814	2.5
501.11954	4.4
503.32370	8.7
519.12836	4.1
519.24243	11.6
521.33215	2.4
527.09979	2.3
535.11926	2.1
545.11041	13.5
563.11938	90.4
563.19891	3.2
564.12842	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	563.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
71.01361	1.2
80.12028	0.9
85.02941	1.3
89.02427	1.7
101.02473	1.7
109.03007	1.1
111.04531	1.1
121.06628	1.2
124.01646	1.2
125.02460	2.4
129.13489	1.0
134.37024	0.8
136.05295	3.2
137.02452	1.4
137.06050	1.9
138.03226	11.1
139.04028	1.8
149.09723	2.7
151.03999	2.7
151.11272	1.0
152.04727	1.8
162.06847	1.2
164.04765	0.9
165.05544	4.0
166.06314	1.1
167.10719	1.8
175.07565	2.0
177.09198	47.7
178.09543	1.3
180.07886	1.1
193.08696	9.6
194.09483	3.2
195.10242	9.4
211.09901	1.3
220.07367	1.0
221.08183	23.4
237.07706	3.1
238.08443	39.6
239.09235	100.0
240.09669	2.1
241.05107	1.2
263.09177	1.7
383.13541	1.5
401.14502	73.7
402.15005	3.3
451.51471	0.9
563.19788	70.3
564.19812	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	563.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01549	0.8
59.01376	34.8
71.01373	16.2
73.02937	1.3
85.02948	2.9
89.02441	18.6
95.01419	2.0
96.96011	10.8
101.02429	12.9
106.03019	1.0
113.02454	5.9
119.03502	8.0
120.78770	1.2
125.02439	5.2
143.03479	1.4
143.81004	1.0
147.04529	1.9
149.04613	1.1
153.12962	1.1
161.04651	1.9
161.06116	6.2
162.06856	25.2
167.03432	1.3
169.01343	1.7
177.02016	2.1
177.09198	100.0
178.09514	1.3
179.05658	4.6
188.27908	1.0
193.78668	1.0
201.07697	4.7
212.87845	0.9
221.08183	26.4
237.67752	1.0
239.09198	1.6
239.12941	1.0
257.03311	7.2
286.04468	1.2
299.04538	6.5
316.05478	1.0
383.13443	19.4
401.14474	26.0
563.19867	83.3
564.20221	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	563.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
66.95920	1.3
70.26216	0.9
71.01385	1.1
73.02940	0.6
82.95415	54.3
85.02955	0.4
89.02474	0.8
98.54237	0.4
101.02444	1.1
109.02943	0.6
113.02522	0.6
121.02943	0.8
123.00874	0.7
123.67388	0.4
124.01661	1.3
125.02443	1.3
137.02431	2.2
138.03238	1.4
151.03993	4.1
152.04752	1.3
162.06888	0.9
163.07654	3.8
165.05556	0.8
168.00684	0.5
169.01363	1.3
178.06369	1.1
179.07140	0.9
180.07924	12.4
192.00636	3.8
193.01422	6.2
195.03003	0.5
195.10252	1.8
206.05846	7.5
207.02940	1.6
207.06509	0.5
211.02342	0.8
221.08180	25.6
221.11597	0.9
224.06885	82.7
225.07198	1.4
234.01546	0.7
237.11322	1.1
239.09239	100.0
240.09605	1.4
275.99411	0.4
313.05817	0.7
401.14407	85.2
402.14609	2.5
443.15472	0.5
479.08319	14.1
480.08847	0.5
563.19141	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	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73925	0.9
55.01865	2.3
57.03453	2.0
58.00571	0.9
59.01379	98.0
61.98821	1.7
62.75500	0.8
68.99788	0.8
69.03453	1.8
70.80175	1.0
71.01381	30.1
72.99313	2.4
73.02947	15.6
75.00869	1.5
83.01389	6.2
85.02948	16.0
86.00101	3.0
87.00858	5.0
88.98814	2.5
89.02453	9.3
89.92763	0.9
95.01377	3.0
96.96011	5.1
97.02964	2.0
99.00875	5.4
100.01682	1.1
101.02447	19.5
105.76271	1.0
108.02207	1.6
109.02960	1.8
111.00877	3.5
113.02452	10.3
119.03490	2.9
121.02955	9.7
124.01683	1.4
125.02438	3.8
135.04521	2.2
137.02464	0.9
141.01900	1.3
143.03525	1.8
145.02931	3.6
147.04501	2.8
159.04510	3.3
161.04562	1.6
161.06049	1.1
175.56598	0.9
179.10707	2.3
180.07893	1.3
184.10706	0.9
193.01645	0.9
222.06903	0.9
224.04761	1.1
235.07631	1.6
237.05562	1.2
238.06371	2.4
239.07236	1.6
240.04324	2.5
249.72684	1.0
251.07135	1.0
254.05855	1.4
255.06540	3.7
263.07059	2.8
265.08646	3.1
266.05878	3.3
267.06644	4.8
268.07425	4.0
269.08167	11.0
270.08887	4.3
279.06665	1.1
280.07391	4.0
281.08157	22.8
282.08929	12.5
283.09756	11.8
284.10361	1.5
293.08270	8.3
294.09006	3.0
295.09650	8.0
296.10583	5.3
297.07764	1.3
297.11261	2.7
299.09225	7.3
300.09949	2.2
308.10486	1.0
309.11346	2.0
310.12027	1.1
311.09271	9.6
311.12634	1.4
312.10013	2.0
313.10870	1.6
314.07953	2.7
314.11526	13.0
315.12375	6.0
325.10706	1.8
326.11563	22.3
327.12302	12.8
329.10269	2.4
329.13922	22.3
340.09485	1.6
341.10199	1.5
341.13867	18.2
343.11896	4.5
349.28452	0.8
353.10312	1.5
355.11841	8.5
356.12585	1.5
357.13159	1.3
367.13742	1.0
368.12708	1.4
369.13501	3.4
371.14880	1.9
381.13611	1.3
385.14902	2.1
399.14624	1.1
411.14847	0.9
427.15811	2.7
441.15601	1.6
443.13071	2.0
445.14609	1.8
448.08521	0.9
455.13324	7.1
458.15729	10.3
459.16299	1.2
461.14401	1.9
470.15561	10.3
471.08572	1.0
473.18411	64.7
474.18680	2.1
475.21762	1.4
476.16812	19.9
477.16956	1.5
485.18158	75.0
486.18649	2.4
488.16776	12.4
491.19226	60.2
495.68271	1.0
503.19211	96.9
504.19656	3.5
515.15411	3.3
516.61316	1.0
530.17859	1.9
533.20270	100.0
533.57623	0.9
534.20477	3.3
545.20258	63.8
546.20740	2.8
563.25189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01378	8.2
60.18766	0.4
61.98836	0.9
64.74821	0.4
69.24689	1.2
69.25091	0.7
71.01379	1.7
72.99277	0.4
73.02958	0.5
75.00853	0.8
81.03481	0.4
81.58589	0.4
82.95413	3.5
83.01376	0.6
83.33061	0.4
87.00864	0.7
88.98786	0.9
89.02410	0.6
96.95990	1.8
98.21873	0.9
101.02454	1.1
103.00405	1.0
103.01494	3.5
103.04002	0.6
108.02161	0.9
109.02949	15.1
113.02482	0.9
114.94159	0.4
115.00362	0.8
116.92844	0.6
117.35184	0.4
121.02917	0.6
123.00865	0.5
123.04523	1.1
125.02440	1.4
137.02356	0.5
147.04533	0.6
159.04509	6.3
161.06044	0.4
169.01448	0.5
173.06085	5.5
175.02458	1.7
183.10204	0.4
189.05579	5.3
190.06323	0.9
191.07111	3.0
203.07135	2.9
205.08736	0.7
213.05659	1.1
219.06801	0.6
224.04758	0.5
225.05475	0.6
234.79510	0.4
240.04243	1.7
241.05064	12.2
251.07230	0.4
255.04237	0.7
255.06635	8.5
256.07358	0.6
265.08636	0.8
267.06613	1.7
269.08237	1.8
271.09665	0.4
274.42316	0.4
281.08234	1.0
283.09915	0.6
293.08707	0.4
295.09671	0.6
298.08582	1.1
299.06183	0.7
299.09274	8.5
313.10800	10.3
315.12491	0.4
316.02002	0.5
326.11246	0.5
329.10324	5.6
343.11929	3.4
344.12619	34.5
345.13052	1.0
359.14972	100.0
360.15314	2.6
401.16418	0.8
443.14960	0.5
479.08536	1.3
491.19489	0.7
503.19400	3.6
521.20697	0.5
563.20721	1.3
579.02765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96992	1.8
57.03433	3.5
59.01378	100.0
61.98822	5.7
63.33079	1.8
67.87001	1.9
69.03461	3.4
69.35931	10.8
71.01374	28.7
72.99297	3.5
73.02935	24.0
76.67808	1.8
82.95403	2.2
83.01375	8.2
83.80193	2.1
83.95641	2.2
85.02956	13.5
85.75097	2.0
86.00084	2.0
87.00878	4.7
88.98783	2.7
89.02447	8.2
95.01394	3.0
96.96017	12.1
98.22639	4.2
99.00905	3.0
101.02443	21.0
101.20083	2.0
102.93540	2.0
109.02959	4.6
111.00867	3.8
113.02444	9.1
116.92850	4.2
117.00549	1.8
119.03506	2.9
121.02935	11.7
125.02452	6.2
145.02892	3.0
147.04590	4.0
159.04466	4.0
161.04601	2.5
177.05600	2.4
221.11873	2.2
226.52937	2.3
237.11293	3.1
238.06317	4.0
266.05823	2.7
267.06622	4.3
268.07288	4.1
269.08221	9.4
270.08926	3.4
280.07291	2.8
281.08148	18.6
282.08893	9.0
283.09698	15.4
293.08047	2.5
293.25537	2.4
295.09634	7.0
296.10394	3.6
299.09250	5.4
300.09802	2.5
311.09366	16.6
314.11578	11.3
315.12457	5.1
325.10449	2.8
326.11578	27.1
327.12302	12.9
329.10489	3.5
329.13934	21.4
340.09552	2.8
341.13745	19.4
343.11880	3.7
355.11938	6.0
369.13144	3.2
443.13388	2.9
455.13477	6.5
458.15976	10.7
470.15671	7.1
473.18317	61.0
474.18347	2.5
475.21829	2.4
476.16797	13.6
485.18124	71.9
488.16592	9.5
491.19205	61.2
503.19223	87.1
504.19415	2.7
533.20276	97.7
534.20087	3.4
545.20313	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	563.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61035	0.3
59.01374	3.7
59.84726	0.3
61.98820	0.8
69.53692	0.7
69.54075	0.7
71.01385	2.6
73.02936	0.6
75.19242	0.3
83.01411	0.3
84.95098	1.0
85.02925	0.3
86.92004	0.3
89.02437	2.7
91.77866	0.3
96.02148	0.4
96.95998	0.4
97.02928	0.4
98.22719	0.3
99.00861	0.4
101.02428	1.0
108.02180	1.8
109.02962	0.4
109.64825	0.3
113.02427	0.8
123.00863	0.4
124.01665	2.1
125.02406	1.3
131.03453	0.4
132.07407	0.3
133.79387	0.3
137.02446	0.7
150.03157	0.3
152.01141	4.2
153.01939	0.6
161.04469	0.4
166.02675	0.6
184.00075	0.4
191.05472	0.4
193.12315	8.9
197.04514	0.5
206.84116	0.3
209.11818	4.7
221.11807	43.7
222.12309	1.2
223.13426	1.6
233.06685	0.4
235.13377	0.4
237.11305	100.0
238.12022	6.8
239.12843	2.2
249.11436	0.4
251.12860	2.7
293.08777	2.0
383.17047	2.1
400.17349	26.8
401.18015	3.8
401.96185	0.3
563.23407	19.1
564.23645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31700	0.3
54.66873	0.3
55.01870	0.4
57.02513	0.3
57.03432	0.4
57.96675	0.3
59.01379	10.4
61.98842	0.7
68.42233	0.3
69.03437	0.3
69.11391	1.0
69.11802	1.2
70.97762	0.3
71.01378	9.9
73.02945	2.7
81.03461	1.1
82.95422	0.4
83.01372	1.1
85.02953	3.0
89.02448	5.0
95.01395	0.4
97.02956	0.5
98.22594	0.8
99.00855	0.9
101.02438	4.8
105.11947	0.4
108.02150	0.4
109.02969	0.3
113.02439	3.4
119.03544	0.5
125.02441	2.5
128.34016	0.3
131.03513	1.0
135.11810	2.6
137.02458	0.7
137.09744	3.3
143.03461	0.5
149.04584	1.9
151.07617	0.6
159.02974	0.8
161.03191	0.7
161.04555	12.4
179.10771	100.0
180.11096	1.2
191.05620	0.8
203.10779	0.4
205.05054	0.4
209.11830	3.6
221.06693	0.5
293.08795	3.9
329.14240	0.4
341.16046	24.8
342.16479	0.6
401.18677	0.4
503.21097	0.5
519.24432	1.0
533.20282	0.7
545.11145	0.4
545.20483	0.4
563.22827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15147	0.7
55.24054	0.7
58.02961	2.1
59.01108	1.3
59.01380	16.8
68.96039	0.7
70.02961	2.2
71.01379	5.5
72.99307	23.4
73.02935	2.3
74.02470	11.5
74.66023	0.7
75.00900	0.9
76.51490	0.9
82.95418	16.0
83.01366	1.5
85.02942	2.7
87.00881	16.7
88.26265	0.9
88.98827	1.7
89.02470	1.7
90.30057	0.7
96.96025	2.7
98.02483	2.4
101.02451	4.7
113.02447	2.6
116.03544	4.2
116.05091	3.8
121.06490	1.0
124.01602	0.8
125.02434	1.7
147.60104	0.9
192.00673	2.4
193.01511	1.0
201.10408	1.5
203.08246	9.8
207.02927	2.1
216.07611	0.8
245.09315	32.7
279.16284	1.1
282.09091	1.0
297.17105	2.2
341.10315	1.8
355.37137	1.0
431.22977	1.5
441.21359	3.0
459.22302	9.4
477.23419	4.9
479.08267	4.9
493.07251	0.8
501.23392	13.3
519.24457	100.0
520.24725	3.9
528.16827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85278	2.7
55.92157	2.3
56.67945	2.3
66.52566	2.4
71.43531	2.7
78.95902	54.0
96.96987	5.6
128.90082	2.8
152.99586	52.7
163.11917	2.5
171.00612	15.7
217.52681	2.4
227.03214	4.6
245.04297	79.3
253.21713	37.0
267.01306	8.2
267.23398	7.3
281.24878	6.3
327.03275	3.4
481.25702	100.0
506.33093	4.9
520.61621	3.2
583.14038	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	563.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54560	13.6
59.01366	18.9
60.34697	14.2
61.98831	33.5
110.90772	16.2
119.58324	17.1
275.33167	18.3
291.19678	100.0
367.93298	17.6
376.76343	22.6
385.72070	17.1
527.28668	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2627
Annotation	Morinol B
Peak:m/z	Relative Intensity
51.80769	34.0
59.01380	94.2
61.98826	67.7
71.01407	38.3
82.95380	35.3
96.96021	64.6
101.93639	33.3
111.33460	29.2
162.47127	32.0
291.19510	48.3
315.19724	48.1
563.26276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03444	3.7
58.91688	0.3
59.01376	84.6
59.78632	0.3
60.01716	0.5
61.98824	1.4
62.88753	0.3
68.99562	0.7
69.03465	0.9
69.27783	1.7
71.01380	16.0
72.99326	0.6
73.02951	5.0
78.91882	0.3
81.00487	0.3
82.95403	2.5
83.01377	4.4
85.02946	11.5
87.00890	1.5
89.02451	1.5
95.01412	1.4
96.96010	4.2
96.96966	0.3
97.02932	1.9
98.95599	3.5
98.96261	0.4
99.00878	2.9
100.93354	0.5
101.02438	11.1
111.00871	2.0
111.08172	1.0
112.01655	0.7
112.98559	1.7
113.02450	8.5
115.03996	0.4
119.03513	0.4
124.01709	0.3
125.02455	1.2
127.11300	1.9
129.01990	0.7
137.09715	3.1
143.03499	1.6
153.12840	1.3
155.10773	5.1
157.12285	2.4
159.02968	0.9
161.04550	1.6
165.02034	0.3
173.11862	0.6
183.13899	1.2
185.11867	0.6
193.01370	1.0
194.71367	0.3
201.14948	6.0
201.16698	0.6
211.13388	1.8
217.14554	0.4
222.16290	0.3
229.14508	0.5
230.15195	3.9
245.29813	0.4
301.16293	0.4
327.21881	0.7
335.17032	0.4
341.26953	0.7
357.26187	0.8
359.27985	14.8
360.28220	0.4
413.28821	0.4
453.84305	0.4
455.30255	0.8
467.29709	0.6
473.30997	1.0
485.31226	1.3
503.32236	100.0
504.32489	3.7
521.33301	32.5
522.33673	1.2
545.33392	2.4
563.35126	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	563.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60602	1.0
58.74325	0.9
69.49847	4.2
78.95895	11.5
84.25245	1.0
90.30714	1.0
152.99570	10.9
168.04372	1.5
171.00574	1.0
224.06793	1.2
242.07925	1.9
245.04346	10.2
253.21547	5.0
267.01260	1.6
268.04837	1.0
279.23230	3.2
280.23648	5.2
281.24844	100.0
282.25223	2.3
323.98218	1.1
338.22073	1.3
465.22839	4.8
466.23312	3.0
481.25803	14.5
506.32480	49.6
507.32779	2.6
532.18292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.3
61.98826	14.8
70.05569	2.1
71.01395	2.3
73.02945	1.2
80.05068	4.8
96.96038	1.0
101.02459	1.4
104.05058	4.8
106.06625	32.2
130.06645	2.6
132.04552	13.4
134.06125	5.2
148.04021	1.4
150.05560	1.9
152.07156	4.2
158.02455	2.3
160.04048	3.9
160.07716	4.8
169.01407	1.1
174.05611	1.5
190.05176	1.4
194.04518	3.1
195.09216	2.1
199.12410	1.9
202.96866	1.0
208.06334	1.7
210.07950	4.3
211.08755	2.3
213.10245	1.1
221.10750	1.3
223.08786	9.8
223.12376	3.1
224.09557	12.6
225.10286	17.5
232.06061	1.2
234.03918	1.1
234.07953	2.0
235.08736	3.1
236.05768	2.0
237.06659	1.1
237.10384	4.2
239.11890	10.7
241.13576	2.1
247.08630	1.5
248.09497	1.0
249.10339	6.4
250.07419	9.9
251.08247	40.1
252.09018	2.0
263.07919	1.0
265.09827	20.3
266.10370	1.1
267.11380	45.6
267.14288	2.2
268.11505	1.0
269.09268	1.1
283.10944	1.1
285.12411	6.0
293.09311	55.5
294.09845	1.2
311.10355	36.3
332.17407	1.2
337.08331	1.6
338.16614	1.9
340.14661	1.2
355.09320	33.2
355.13644	2.0
356.13837	1.9
358.15457	2.4
384.13348	5.6
387.11816	1.5
397.22977	1.3
398.15265	5.4
400.16522	3.4
426.14563	16.4
444.15634	22.1
470.13214	5.1
488.14603	38.1
514.12463	5.2
520.17517	8.3
524.56598	1.1
532.13593	100.0
533.13757	3.2
546.15472	1.4
564.16309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	59.4
61.98827	50.8
70.05129	35.9
73.43543	11.1
96.14450	12.4
109.10296	15.1
122.03726	21.2
128.34209	13.1
165.05579	21.8
177.28461	15.7
248.92799	13.2
269.08206	17.6
283.09814	16.9
299.09082	15.4
311.09262	29.5
314.11581	35.7
329.13901	100.0
341.13739	55.1
346.14099	18.6
361.16495	98.8
504.19904	16.2
521.19781	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98826	100.0
71.00287	0.9
137.91759	0.7
155.54105	0.5
161.24481	0.6
169.56702	0.6
237.15012	1.4
442.12424	0.7
565.23267	0.8
585.91229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35173	0.7
51.13287	0.6
61.98826	100.0
67.59375	0.6
69.77733	2.7
89.83546	0.8
122.03730	1.2
130.97227	0.9
137.02478	0.9
138.03261	3.2
151.03960	1.4
165.05557	1.1
228.53963	0.9
300.02527	0.8
307.19250	0.7
322.76825	0.8
328.68982	0.9
387.25500	3.1
402.27646	1.0
417.30029	0.9
453.26837	1.0
471.27783	5.2
486.29840	12.5
501.32202	45.5
502.32669	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
69.35163	1.2
71.01378	0.5
74.02473	1.0
75.61829	0.2
87.99423	0.2
89.02426	0.3
99.91967	0.5
99.92586	7.8
116.92860	100.0
117.92870	1.5
125.02524	0.5
165.41292	0.2
178.65195	0.2
181.05103	0.2
246.77780	0.2
265.99994	0.2
271.02335	0.5
299.02176	0.3
300.02838	0.8
301.03552	0.5
382.95203	0.3
388.11584	0.2
403.13846	0.3
447.09445	0.9
520.27808	0.7
521.27130	0.4
547.01947	1.1
547.10297	0.2
561.60785	0.2
565.21741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0477
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
50.52222	0.5
52.18372	0.5
52.88756	0.5
56.62979	0.5
59.01387	0.8
62.96408	0.6
70.16650	0.9
74.16788	0.4
74.62763	0.6
76.47649	0.5
78.95902	100.0
96.96004	16.4
96.96960	38.8
96.97884	0.7
98.22571	0.6
98.95621	0.9
111.01993	9.4
120.96984	1.7
121.78693	0.5
128.89226	0.6
136.94048	0.6
138.98026	3.2
146.98543	0.5
150.98012	3.0
158.92540	14.9
176.93564	1.2
178.94998	0.7
192.99037	1.8
211.00110	4.8
241.01161	8.7
272.95676	4.7
280.02255	2.1
305.01718	1.2
320.97882	3.2
323.02832	67.9
324.03101	1.0
380.80554	0.6
384.98352	5.0
402.99789	1.3
420.81555	0.7
444.97311	0.8
504.82758	3.4
504.95413	1.9
511.80511	0.6
565.04767	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	565.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.13800	0.3
61.98825	2.2
63.23596	0.3
68.54478	0.3
71.01376	1.4
73.02936	3.0
75.00469	0.7
75.00870	9.8
80.39646	0.3
85.02931	0.4
89.02438	1.0
92.92896	0.4
96.04998	0.3
99.00872	4.0
99.92578	8.1
100.92525	0.3
101.02445	0.8
107.24329	0.3
114.57911	0.3
116.92857	100.0
116.97247	5.9
117.01938	11.2
117.05573	1.2
117.92858	1.5
125.02409	0.7
141.01704	0.5
161.04506	0.6
191.03514	0.6
203.99089	0.4
366.39734	0.3
403.21613	0.6
447.22400	2.5
505.14365	1.1
523.15015	0.6
529.26923	0.4
565.15875	0.7
565.25598	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	565.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28908	0.5
56.32981	0.5
56.82865	0.6
59.01367	2.7
61.06147	0.5
61.98827	6.4
69.03432	0.6
70.12864	1.4
71.01382	1.9
73.02959	1.5
73.61548	0.7
75.00874	2.4
79.80980	0.6
82.80140	0.6
85.02975	0.6
99.00878	1.9
99.92577	8.7
101.02448	1.0
107.01456	0.6
109.02956	2.0
113.02457	2.3
116.92865	100.0
116.97249	3.7
117.01938	3.9
117.92890	1.4
123.00909	1.3
124.01664	1.4
125.02430	3.0
137.02435	0.9
139.03990	1.1
140.01164	0.7
141.01785	0.6
151.00356	0.6
153.01930	3.0
167.03508	1.6
169.01422	1.7
290.44830	0.5
346.33844	0.5
381.06168	0.9
397.93552	0.6
529.26630	1.5
565.23364	8.2
566.24152	0.7
570.92755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12970	0.4
57.03456	0.6
58.46346	0.6
59.01374	1.0
64.59493	0.4
65.09345	0.5
69.48112	1.1
69.48522	1.0
70.97541	0.4
71.01358	0.6
95.01297	0.5
97.06569	1.0
98.22591	0.4
105.07092	0.6
108.02135	0.7
109.02988	0.5
109.06596	1.1
109.30421	0.4
111.00861	0.5
115.60033	0.5
122.03745	0.5
123.00876	0.7
123.08184	0.7
124.01657	4.1
125.02438	1.9
133.06548	0.7
136.01700	0.5
137.02435	2.4
137.06067	1.3
138.03223	7.5
139.00339	2.3
149.06071	3.3
150.03220	1.3
151.07661	1.3
152.01147	1.3
153.01938	0.9
159.04442	0.8
161.06088	3.2
163.04047	1.0
163.07642	0.5
164.04800	1.2
167.07115	2.0
177.05563	24.1
178.06215	0.6
179.07130	54.3
180.07462	0.6
189.03090	0.6
193.05008	0.5
195.06647	4.0
196.07304	0.6
211.06059	1.2
223.06107	45.7
224.06389	1.1
225.07683	0.5
239.05594	100.0
240.06355	8.2
253.07237	1.2
265.07068	1.1
324.22342	0.6
385.11520	1.3
402.11618	23.3
403.12354	3.6
440.33218	0.5
565.17719	43.2
566.18207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.177
Annotation	Genameside C
Peak:m/z	Relative Intensity
59.01369	3.6
69.07951	7.0
71.01369	3.1
81.03458	1.3
88.15187	1.1
95.05013	2.1
96.96004	1.6
97.02938	1.3
97.06578	2.6
99.00874	22.6
99.04479	1.7
103.13201	1.1
103.25442	1.1
107.04994	1.1
111.00864	3.9
123.04491	1.8
123.08162	1.6
124.01619	1.5
125.02425	4.9
133.06593	4.4
135.04536	2.0
135.08145	3.9
137.02525	1.4
138.03223	8.8
139.00392	2.5
139.03998	1.6
140.01120	1.2
149.06046	3.6
151.07648	5.6
152.01100	1.3
153.01935	15.0
154.02705	2.4
161.06070	1.9
167.07181	5.0
177.05560	9.5
179.07138	38.3
179.08704	2.0
193.01427	2.1
195.06599	14.0
196.07332	2.6
199.06094	1.3
205.05089	1.7
211.06178	8.8
213.07536	1.5
223.06100	43.7
239.05600	69.4
240.06358	37.8
241.07188	55.8
251.05228	1.3
265.07101	2.5
313.05457	1.1
385.11368	2.7
402.06360	1.3
402.11655	26.7
403.12396	50.5
404.12402	1.1
565.17725	100.0
566.03058	1.2
566.17926	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	565.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31425	0.4
59.01373	5.0
60.99305	14.2
61.98824	2.4
63.22673	0.4
66.59098	0.3
69.30285	2.1
71.01363	0.9
73.02953	0.5
85.02971	0.6
87.00886	1.0
88.98805	100.0
89.02443	22.4
98.94543	0.4
101.02451	0.5
103.01505	0.7
109.02961	0.8
116.92870	1.8
125.02454	0.9
139.29099	0.4
141.01677	0.5
148.90971	0.6
153.01947	0.7
168.22083	0.4
169.01324	0.4
175.92186	0.4
193.01393	0.7
195.02968	0.5
362.93134	0.4
409.82529	0.4
461.30389	0.5
505.33914	1.8
565.23962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2422
Annotation	Swietmanin I
Peak:m/z	Relative Intensity
56.22172	1.9
59.01375	17.7
61.98811	5.7
64.53836	1.8
69.38244	7.7
69.38624	4.1
71.01390	10.2
73.02941	3.6
82.95397	1.9
85.02924	3.0
85.03403	1.7
89.02448	8.7
95.01368	3.2
99.00904	2.7
99.92567	2.5
101.02433	9.4
113.02436	4.4
116.92848	14.4
120.02525	1.8
125.02423	5.6
141.01680	3.0
143.83987	1.8
149.04550	8.6
161.04501	1.8
167.83162	2.1
201.90686	2.0
237.07590	2.6
251.07898	2.1
343.08136	3.6
529.26563	33.2
565.24133	100.0
566.24402	3.0
593.06604	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.9
61.98827	4.6
68.59013	0.3
69.35085	1.6
71.01382	2.1
73.02958	0.9
74.29279	0.3
78.40398	0.3
81.92730	0.3
83.01426	0.4
84.95108	0.4
85.02952	0.8
89.02450	1.5
94.26745	0.3
95.01411	0.4
99.00853	0.4
99.92587	8.4
99.93264	0.5
101.02425	2.0
113.02457	0.7
114.93402	0.6
116.92858	100.0
117.92856	2.6
121.02962	0.4
125.02428	2.1
134.03703	0.7
137.02351	0.6
149.04503	0.3
149.06067	0.5
151.04034	0.7
153.02008	0.4
161.04555	0.3
167.03532	0.6
169.01454	0.8
177.01971	0.4
179.03342	0.3
193.05087	1.1
223.06169	0.3
255.02995	0.3
271.02542	0.4
300.02728	0.8
301.03534	0.6
355.11804	0.4
359.09924	0.3
412.46301	0.3
447.09494	0.9
455.88370	0.3
458.25009	1.0
505.21115	0.5
521.26379	0.5
528.26208	0.3
529.26483	5.8
547.01697	1.6
565.24420	11.0
566.24481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2419
Annotation	Swietmanin I
Peak:m/z	Relative Intensity
54.01177	1.3
55.46399	1.2
55.79606	1.1
56.91462	1.1
58.30258	1.1
59.01378	10.7
59.94482	1.1
61.98811	1.9
69.41637	4.6
71.01375	9.0
73.02940	2.3
83.01392	1.6
85.02969	5.8
87.00916	1.8
88.98811	1.9
89.02454	5.5
99.00891	2.5
101.02443	8.9
113.02423	3.0
125.02462	2.5
142.76112	1.1
150.99486	1.2
151.27646	1.1
158.79172	1.2
161.04524	3.0
203.99944	1.2
218.12077	1.1
226.40524	1.4
397.22440	3.4
408.09082	1.3
418.69647	1.5
428.32858	1.2
458.24783	1.2
529.26514	59.8
530.26550	2.9
555.09283	1.3
565.24158	100.0
566.24585	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.6
60.42329	1.7
61.24679	1.8
61.98824	13.2
62.18441	1.5
71.01381	13.5
71.57761	1.7
71.95396	1.7
73.02933	4.6
75.00866	8.9
83.01385	2.0
85.02940	4.8
86.48825	1.5
89.02444	7.5
91.15307	1.6
95.01375	2.0
99.00875	5.1
99.92577	9.5
101.02449	9.8
108.83550	1.7
109.02975	2.3
113.02466	5.3
116.92863	100.0
116.97235	5.6
117.01941	6.2
124.01635	3.6
125.02479	4.8
127.08405	1.5
141.01723	2.3
149.04538	2.6
153.01923	3.5
161.04596	3.2
167.03459	3.7
177.01796	2.7
229.12341	2.4
337.31354	1.8
471.24399	2.6
505.26270	1.9
527.24768	2.1
529.26398	27.8
544.26880	7.5
565.23981	72.8
566.24341	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76847	3.2
59.01376	22.4
61.98827	50.6
69.11019	10.9
69.11433	9.0
71.01382	15.2
73.02927	3.9
74.11557	2.7
75.96240	2.5
85.02929	3.9
89.02431	15.4
99.00860	7.4
101.02416	8.1
109.02938	11.8
112.73002	2.8
113.02452	3.9
116.92852	12.8
125.02421	8.4
131.03445	5.3
141.01683	5.6
149.04515	15.2
153.01904	15.1
161.04581	3.6
168.00595	4.1
169.01381	3.5
183.02969	7.1
479.22400	4.0
529.26617	38.7
563.68945	3.3
565.24146	100.0
566.23633	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	565.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65828	21.2
54.67451	26.6
59.01386	30.8
61.98816	36.7
69.10269	79.9
69.10670	61.0
77.50345	21.8
81.96098	25.0
96.95950	27.8
98.21931	50.9
113.01905	21.7
145.87161	23.8
149.28835	26.7
187.86172	22.7
253.09325	57.4
281.13892	30.0
293.21106	100.0
379.27881	25.2
428.40997	25.5
565.27740	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88962	2.7
54.42628	2.6
64.53349	2.7
70.12768	4.9
70.13083	3.2
80.91691	3.6
89.81272	3.4
99.42134	2.8
123.00882	44.9
137.02434	12.4
165.01918	11.5
189.39967	3.5
234.72012	3.4
239.20309	3.2
272.91559	3.3
372.22995	5.7
387.25430	100.0
402.27786	32.3
415.24838	6.7
417.30133	39.0
430.27139	17.7
445.29468	18.4
463.27209	5.9
489.28381	7.2
493.31564	10.1
521.31537	4.0
587.55414	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	565.359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72500	1.3
55.01866	2.4
57.03453	2.5
59.01377	36.6
61.98829	7.4
64.07470	1.1
69.25092	3.5
69.25482	2.7
71.01375	17.8
72.99306	1.6
73.02941	8.0
75.21684	1.2
80.91634	1.5
83.01382	4.3
85.02943	11.0
88.98816	1.9
89.02451	2.1
96.95987	2.0
99.00865	3.0
101.02432	15.3
105.54099	1.2
111.00871	2.5
113.02441	7.5
116.92854	1.5
124.01600	1.5
125.02435	11.9
141.01747	2.8
146.35088	1.5
153.01910	2.4
161.04553	4.2
165.02046	1.2
169.01431	11.2
258.30637	1.4
259.37421	1.4
297.24316	2.1
343.28403	5.6
420.59329	1.5
457.62497	1.4
505.33807	100.0
506.33975	3.7
565.22998	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	566.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39165	1.3
50.74974	1.5
57.03400	1.2
59.01378	20.4
59.33403	1.6
61.98836	9.9
69.18192	7.6
69.45451	1.6
71.01385	10.3
73.02927	3.7
85.02927	4.7
89.02437	5.4
97.86200	1.4
98.22592	3.9
101.02442	9.6
109.02952	1.6
113.02439	3.9
121.02963	7.2
122.03737	8.8
123.04518	1.8
125.02438	3.9
136.01604	1.5
137.02470	1.8
144.26794	1.5
147.04547	2.9
149.06081	1.5
165.05534	13.0
179.07130	3.7
185.02592	1.6
235.32898	1.4
249.68570	1.4
317.29358	1.5
343.15460	3.7
346.14066	5.5
361.16550	44.5
361.21002	2.2
362.16696	1.9
419.72293	1.9
490.13770	1.6
523.21826	100.0
524.21991	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	567.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
60.99305	16.0
65.03988	0.5
69.13133	0.7
69.13531	1.6
71.01370	0.7
88.98801	100.0
89.02459	0.4
91.01899	2.6
96.67043	0.4
107.01424	0.3
109.02943	3.5
116.92859	1.2
117.92870	0.6
118.92663	1.0
125.02443	1.0
135.00876	7.3
153.01935	11.1
191.04601	0.3
258.62466	0.4
271.02667	0.5
287.01944	1.0
315.01343	1.8
316.02167	1.6
331.04565	1.1
459.11346	0.6
477.10434	1.9
512.89764	0.4
525.37079	0.4
567.16827	0.5
567.24683	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	567.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31586	0.3
57.03416	0.4
57.58105	0.3
59.01379	3.1
60.99295	0.6
61.98823	1.4
71.01376	1.5
71.44303	0.3
72.76097	0.3
72.99301	1.6
73.02961	0.6
73.83521	0.3
85.02927	0.4
88.98811	4.0
89.02444	1.0
89.99096	0.5
90.99231	0.6
91.00367	0.6
91.01866	0.5
93.03438	1.6
96.55376	0.3
96.96004	1.3
100.13232	0.3
101.02457	0.7
101.20646	0.3
107.01400	2.2
107.41975	0.4
109.02967	1.5
113.02418	0.4
117.03409	0.4
121.02921	0.5
125.02438	1.7
129.72301	0.3
131.05017	0.6
135.00897	1.0
137.02446	0.9
141.01714	0.5
143.05054	1.1
151.00330	1.4
153.01987	1.5
155.05037	0.5
157.06566	1.3
159.04500	1.5
161.02423	0.5
163.00363	2.7
165.01929	0.4
167.05099	0.6
169.01431	1.6
169.06534	0.7
171.04500	0.7
173.02376	0.3
178.99629	0.4
183.04469	0.8
185.06094	3.5
187.04019	4.2
189.05545	1.3
195.04533	0.7
197.06104	1.4
198.03192	0.4
199.03979	0.5
201.05609	0.8
211.03960	2.0
213.05496	2.1
214.02695	0.5
215.03537	0.5
227.03513	2.9
229.05048	13.1
239.03471	1.7
240.04372	0.5
241.05008	2.1
243.03001	0.6
245.04117	0.3
255.02946	2.4
256.03751	1.0
257.04568	6.1
265.14438	1.3
267.03036	1.1
271.02448	0.9
281.06699	0.6
283.02444	0.4
284.03186	0.9
285.04034	100.0
286.04410	2.2
300.02689	1.1
301.03510	2.1
507.35342	1.4
531.28278	0.5
567.11407	5.9
567.24176	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03442	2.9
59.01376	54.6
60.99293	2.1
61.98825	13.8
67.01869	1.1
69.26892	1.1
69.62460	4.5
70.16837	1.2
71.01376	17.8
72.99289	4.9
73.02940	3.4
75.00883	9.0
79.05521	2.7
81.03436	1.6
83.01396	2.7
85.02940	15.3
87.00870	4.2
88.98814	13.1
89.02451	4.7
91.01896	5.8
95.01379	2.7
95.05023	1.2
98.21876	2.1
99.00883	10.5
101.02426	6.5
103.00399	10.7
103.01487	26.3
105.00214	1.2
107.01381	2.5
108.02168	5.2
109.02946	4.2
111.00879	3.6
113.02448	11.5
116.92871	4.6
117.01929	1.8
117.92846	1.8
118.92701	2.2
121.02943	3.4
123.00860	2.4
123.04516	56.6
124.01666	4.0
125.02460	6.1
129.01942	1.8
131.03505	1.3
136.01471	1.3
137.02386	2.3
138.03218	2.2
147.04483	1.4
149.06078	3.8
151.00337	6.7
152.01128	4.3
153.01942	5.8
161.02512	1.4
161.06068	3.6
163.07637	1.8
165.05536	4.1
167.03482	95.4
168.00682	1.4
169.01456	3.0
175.02475	2.7
175.58878	1.5
177.01935	1.2
179.07071	1.4
192.04266	1.7
192.60928	1.4
205.05013	1.5
207.06615	2.3
223.06104	2.5
225.07697	6.5
239.09253	2.2
249.06177	4.7
250.04750	1.6
255.06668	1.5
265.07208	4.6
267.07251	1.8
271.09866	1.4
301.10834	2.2
330.03494	1.6
340.07941	4.4
349.79602	1.4
355.10208	3.6
361.16486	2.5
362.16946	2.0
391.10330	5.2
399.09268	10.3
417.10434	20.7
463.17786	1.5
477.10336	2.4
505.13660	2.2
506.21017	4.1
507.21252	6.3
524.22205	3.4
525.22461	2.3
529.26520	2.3
531.28046	3.9
549.12360	3.0
566.25061	2.7
567.13525	100.0
567.24945	33.9
568.13885	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	567.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
65.00328	1.1
69.36130	2.8
71.01376	2.2
72.99302	1.6
73.02941	1.1
75.00871	0.6
77.09080	0.5
80.91573	0.6
83.01363	0.7
85.02962	1.4
89.02425	1.0
91.01894	4.3
99.04456	0.7
101.02401	1.0
108.02169	51.3
109.02954	24.1
123.00887	0.7
123.04525	15.3
125.02446	1.2
135.13217	0.6
151.00333	0.7
151.04057	1.3
152.01149	100.0
153.01935	21.8
163.03995	2.6
167.03490	19.8
169.01274	0.7
174.18640	0.6
177.01950	0.8
181.05077	1.9
185.73589	0.7
285.06149	0.9
387.14520	0.6
399.09302	19.0
399.14572	1.0
417.10382	9.7
507.21091	1.2
535.10321	0.8
567.13501	93.2
568.13873	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	567.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61644	2.6
59.01379	66.4
69.47345	14.4
69.47632	3.4
70.88683	2.9
71.01376	44.0
73.02943	5.7
83.01402	4.8
83.08232	2.8
83.20538	3.2
85.02970	7.7
87.00851	3.4
88.98820	5.9
89.02452	41.1
94.98110	6.5
95.01439	3.3
98.21900	3.6
101.02443	12.1
108.02205	15.6
108.02826	3.6
109.02937	10.4
113.02461	8.6
123.04460	5.8
125.02421	7.1
129.22200	3.1
131.03500	6.4
136.01666	48.5
149.04565	8.9
151.00391	7.0
151.04002	100.0
152.01161	24.3
153.01965	5.5
160.05325	11.7
161.02390	3.0
166.02698	19.5
167.03490	7.4
175.04054	5.4
175.07600	16.6
181.05081	43.2
190.06393	5.4
205.08768	6.2
207.10184	9.9
220.36929	3.0
243.16061	4.4
278.09525	4.6
279.06595	6.8
294.08966	6.8
297.11188	5.1
309.08185	3.7
309.11191	16.4
312.10165	4.8
327.12384	64.5
339.12366	14.0
369.15735	31.5
387.14667	23.8
387.19824	5.1
399.09277	4.0
399.14386	7.3
405.21280	15.0
477.17798	5.3
507.18826	12.5
523.10913	3.0
567.12488	24.7
567.26672	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	38.5
59.46455	4.8
61.98827	14.0
67.85559	5.8
69.12147	31.2
71.01383	34.8
80.91693	16.7
82.95425	21.7
85.02928	8.2
89.02454	21.6
97.16737	5.5
101.02444	18.2
113.02496	13.6
119.03473	10.0
125.02443	16.3
141.01758	8.5
161.04604	8.7
179.05589	9.3
207.13913	9.2
213.12836	19.7
260.45709	5.5
323.09787	30.4
332.35828	6.4
403.53397	5.9
529.26440	13.0
531.28339	34.4
533.79718	5.9
567.24768	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	567.2583
Annotation	CHEBI:68372
Peak:m/z	Relative Intensity
51.95932	1.7
57.03453	1.4
58.77453	1.3
59.01379	19.4
61.98812	3.6
71.01369	12.1
72.99293	2.3
73.02934	4.1
80.91693	2.7
82.95415	10.0
83.01390	1.9
85.02936	5.1
86.50205	1.5
88.98818	3.9
89.02435	5.7
96.95966	2.1
98.21983	1.8
99.00854	2.4
101.02431	5.0
113.02397	2.8
120.53036	1.6
124.01684	1.6
125.02442	10.9
135.04514	3.3
138.03194	1.7
138.91364	1.6
141.01755	3.3
161.02429	1.9
169.01440	3.0
177.01831	1.8
202.04445	1.7
256.11926	1.9
258.95825	1.8
330.37833	1.6
340.15540	1.6
369.22513	2.0
474.95300	1.8
530.96570	1.7
531.20288	2.7
531.28101	36.7
567.25562	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	567.2585
Annotation	CHEBI:68372
Peak:m/z	Relative Intensity
52.81564	5.9
59.01373	33.1
65.84115	6.6
69.10709	20.7
69.11131	24.3
71.18394	6.0
73.02945	7.3
89.02430	9.0
125.02439	12.6
141.01700	30.2
152.01175	8.8
158.15672	6.5
244.09795	6.2
362.28403	7.5
531.28107	40.7
567.25952	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	567.2578
Annotation	CHEBI:68372
Peak:m/z	Relative Intensity
53.89371	1.6
59.01376	16.8
61.98829	3.3
69.11189	11.2
71.01385	9.3
73.02943	6.2
82.95404	4.6
89.02465	8.5
101.02427	5.5
104.47253	1.6
113.02446	5.1
141.01683	3.6
219.66405	2.0
234.29503	1.8
278.62704	1.8
318.93527	2.2
399.24069	3.1
531.28125	48.1
567.25751	100.0
568.26013	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	567.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
57.03431	1.1
59.01378	17.7
69.03466	0.4
70.80169	0.4
71.01381	16.4
72.99300	0.7
73.02944	5.0
83.01376	3.6
85.02946	6.9
86.00060	0.6
87.00861	1.2
88.98833	0.4
89.02450	4.7
95.01389	1.9
96.95998	2.3
97.02923	0.6
98.95584	0.4
99.00869	2.1
99.04523	3.9
101.02442	13.0
103.01501	0.7
106.05489	0.3
111.00890	0.7
113.02447	6.3
118.17099	0.4
119.03494	1.4
121.02967	0.7
125.02422	1.6
131.03535	0.4
137.02444	0.4
139.03969	0.7
143.65814	0.3
151.00365	0.8
151.03995	0.5
159.02985	0.4
161.04530	2.0
161.15355	0.3
167.01717	1.0
177.01920	0.8
179.05614	0.5
186.24091	0.4
186.25610	0.4
197.15491	0.6
225.14877	0.4
243.15944	2.2
259.02805	0.7
359.11331	0.4
366.59717	0.4
387.20242	6.8
405.15567	2.0
405.21167	14.1
410.88635	0.4
481.07977	0.6
549.25800	1.9
567.26563	100.0
568.26807	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	567.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03439	0.9
59.01379	14.8
61.98834	0.5
69.03450	0.6
69.10692	2.5
71.01380	15.1
71.99031	0.4
72.99300	0.5
73.02943	3.2
77.44134	0.4
83.01387	3.0
85.02946	6.1
86.00060	0.5
87.00867	1.2
88.98804	0.5
89.02444	3.1
95.01382	1.4
96.96014	0.9
99.00866	1.8
99.08125	1.4
101.02442	7.8
109.02981	0.6
111.00874	0.9
111.08237	0.4
112.01645	0.6
113.02454	3.9
119.03510	1.0
123.04475	0.4
125.02419	2.7
129.09236	2.5
136.01643	0.6
137.02470	0.4
142.50443	0.3
143.03499	0.4
143.83611	0.4
150.03244	1.9
151.03984	0.6
161.02484	0.9
161.04526	0.8
162.70284	0.4
165.05545	2.0
166.06111	0.4
195.06572	1.9
197.15515	0.6
209.08194	1.3
243.16034	6.2
331.14871	0.4
359.15121	1.0
387.20279	4.4
405.21252	27.3
406.21548	1.1
508.59061	0.4
521.20392	2.8
523.24255	0.4
549.25458	1.1
567.26538	100.0
568.26831	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	567.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76875	51.3
61.98818	100.0
65.17328	44.9
94.92533	52.0
115.30617	56.9
253.23337	58.6
269.33795	58.6
295.22876	55.7
317.21762	62.6
394.65656	53.6
405.39938	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3326
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
69.38511	1.3
69.38842	4.6
74.18168	0.9
91.01186	1.0
97.06598	5.3
108.02163	5.3
109.02946	2.2
122.03741	2.1
123.00870	1.4
124.01674	7.4
133.60526	1.0
135.04475	3.4
137.02426	2.9
150.03178	3.1
151.03976	1.0
159.04480	1.5
160.05229	1.3
161.02415	2.5
161.06009	1.3
162.03133	1.7
163.03986	3.1
165.05515	1.2
173.06049	1.4
174.03183	1.1
175.03938	3.9
176.04752	2.9
177.05577	4.9
183.83003	1.0
187.03961	2.8
189.05522	4.9
190.02748	1.6
190.06328	2.3
191.07112	1.9
202.06442	1.7
203.07072	3.5
205.08725	1.9
219.10281	1.0
233.11798	1.4
259.18018	1.1
291.31445	1.0
293.17520	1.7
308.00018	1.1
369.97598	1.1
385.23724	1.3
437.23178	6.8
443.35144	1.4
454.23572	12.3
455.24319	22.3
456.24603	1.1
469.25858	15.1
470.26730	43.5
471.26895	1.1
477.26306	1.6
481.29480	1.1
485.25296	2.3
491.28107	2.3
505.25720	1.3
507.30646	1.3
509.29126	38.6
523.26868	3.1
524.31305	2.1
535.30615	5.0
552.30859	4.8
567.33185	100.0
568.33380	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	567.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.3
56.34391	2.2
57.03417	4.1
59.01114	3.7
59.01384	51.4
61.98833	12.3
64.38523	2.2
68.00834	2.9
69.64711	6.4
69.65064	4.9
71.01381	19.4
72.99339	2.3
73.02954	11.9
82.95406	6.5
83.01383	5.0
85.02934	14.0
87.00892	2.9
89.02412	2.9
95.01385	2.6
96.95971	2.4
99.00898	4.8
101.02434	19.0
106.06641	20.6
107.06952	7.3
108.04552	6.3
113.02466	8.0
125.02428	5.9
134.06184	3.1
137.02483	2.9
141.01709	4.8
150.05591	2.3
155.10770	4.2
169.01346	4.6
179.03442	4.0
227.11896	6.8
228.12076	5.5
239.11900	3.0
240.12050	4.9
253.09810	6.0
254.10109	2.9
271.02509	3.8
283.45587	2.3
296.11249	3.6
313.11905	2.5
314.12112	6.6
316.02112	6.0
322.12665	2.9
345.30008	2.7
361.17514	4.1
369.22690	5.2
403.18216	2.6
446.17068	4.3
447.17502	27.6
454.34445	2.6
482.81140	2.4
491.16479	9.2
507.27878	5.0
507.35391	100.0
508.35513	3.1
523.19128	3.4
567.11255	5.4
567.25299	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	568.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98827	100.0
69.15512	1.1
71.01388	0.4
76.84329	0.2
82.95404	0.4
125.02430	2.0
126.02799	0.4
139.04053	0.3
160.71860	0.2
161.02397	0.3
169.01431	3.7
170.01773	1.3
179.07076	0.2
188.27643	0.2
193.93854	0.2
310.30646	0.2
509.25327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13793	0.8
60.99293	4.3
88.98803	23.8
89.89771	0.8
100.34737	0.9
118.65881	0.9
123.00878	2.2
124.01659	3.5
124.17725	0.8
125.02448	5.4
137.02382	1.2
149.02431	2.1
151.00356	0.8
163.04056	0.9
164.01158	2.2
165.01907	1.9
166.02666	1.9
167.03493	1.4
168.00563	2.4
169.01396	6.0
179.03487	1.4
179.45132	0.9
183.02995	1.1
190.02769	1.5
192.00627	32.6
193.01398	46.8
194.02147	3.6
197.41983	0.9
205.01398	1.4
206.02238	1.6
207.02950	8.7
211.02443	6.6
221.00995	1.0
222.01642	1.2
234.01669	4.6
235.02417	4.7
249.04007	2.7
271.04575	2.6
312.04825	2.2
313.05588	3.9
327.07050	1.4
334.54144	1.0
338.02893	0.9
464.06192	1.4
465.15964	1.0
479.08295	100.0
480.08563	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	569.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.4
60.99300	4.7
61.69077	0.5
71.01377	1.7
72.99305	0.7
74.79001	0.5
75.00864	0.8
83.01340	0.6
85.02952	0.6
88.98806	24.0
89.02450	1.6
95.01378	0.5
96.96012	6.7
101.02444	1.6
104.84003	0.6
106.74873	0.5
107.01392	1.5
113.02451	1.4
116.92822	0.8
121.02961	0.9
123.00871	2.6
123.04525	0.9
124.01688	4.4
125.02444	8.2
135.04523	0.8
137.02441	2.4
139.03976	0.9
145.02933	0.8
148.91031	0.6
149.02441	2.2
151.00371	1.1
151.04066	1.2
152.01329	0.5
153.01936	0.7
161.02419	1.6
161.04453	0.5
162.03267	1.1
163.04071	0.8
164.01129	2.4
165.01917	3.0
166.02762	1.2
167.03427	0.9
168.00650	2.1
169.01422	7.4
171.10289	6.9
177.01874	0.9
178.02771	0.6
178.99860	0.6
179.03525	0.9
183.02991	1.5
190.02760	1.2
191.03459	1.4
192.00642	33.2
193.01411	50.0
194.02153	3.4
195.02982	1.2
195.06660	0.6
198.42433	0.5
200.79062	0.5
205.01381	0.8
206.02226	1.5
207.01141	0.4
207.02980	10.6
211.02472	7.2
221.00850	1.4
222.01678	1.8
225.04097	0.7
234.01688	4.4
235.02417	5.0
235.08261	0.7
237.04073	0.9
249.04060	2.2
271.04626	3.2
294.03677	0.7
312.04865	3.4
313.05670	3.4
327.07147	2.3
341.11441	0.6
362.08350	1.4
377.10684	0.8
377.41965	0.5
392.09503	1.2
397.13507	3.0
407.11697	2.6
407.17242	1.7
415.14511	1.9
416.96741	4.8
464.06238	1.1
479.08304	100.0
480.08929	3.3
497.65247	0.5
525.26031	0.7
569.23383	0.7
569.31989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.4
59.01379	1.3
61.98834	1.4
63.02385	0.4
65.00318	3.6
69.03513	0.4
69.34212	0.8
69.34599	0.8
71.01372	0.5
81.03439	1.8
82.95423	2.4
83.01378	3.0
84.95126	2.9
85.02934	0.4
89.71986	0.3
93.03454	16.0
94.67350	0.4
95.01334	0.4
95.84750	0.3
96.96007	1.9
97.02967	0.5
101.02470	0.5
101.73387	0.3
103.37437	0.4
105.03477	0.4
106.42083	0.4
107.01391	5.9
107.05063	0.8
108.02222	0.4
109.02949	1.0
113.02427	0.6
117.03475	0.9
121.02962	1.4
123.04508	1.0
124.01671	1.6
125.02441	34.8
126.02773	0.6
130.04240	0.5
131.05003	0.7
133.02937	1.2
135.04561	0.6
137.02443	29.3
138.02768	0.4
145.06627	0.4
149.02443	4.5
150.03264	0.5
151.00359	19.3
151.03995	0.6
152.01161	3.3
153.01930	4.7
155.04950	0.8
156.05801	0.5
157.06564	1.4
157.07707	0.4
158.03786	0.5
159.04468	0.9
161.02438	0.9
163.00400	3.0
163.07553	0.4
165.01976	0.7
166.02654	0.4
169.01421	0.8
169.06573	1.1
171.04544	0.5
172.05305	1.5
173.06076	4.3
175.04025	1.0
176.01132	4.0
177.01878	0.6
177.05562	1.5
178.55243	0.3
178.99843	8.8
179.03432	2.2
179.07266	0.4
180.00613	0.7
181.06601	1.5
187.07643	0.9
191.03516	0.7
193.01480	0.4
196.05199	0.5
197.06116	2.3
199.03957	1.4
199.07730	0.7
199.09624	0.4
201.05588	2.3
209.11855	0.6
213.05580	1.2
215.07092	4.0
224.04752	0.6
225.05606	3.8
225.07616	0.6
227.03371	0.4
227.07222	0.5
240.03957	0.4
241.05028	3.9
243.06564	2.8
259.06085	45.2
260.06433	0.9
268.03769	0.9
268.74191	0.4
269.04526	100.0
270.04886	2.6
283.06027	1.2
287.05591	31.0
288.05884	0.5
305.06439	0.4
311.05499	1.2
341.08792	1.0
371.17148	0.6
407.09781	0.9
413.08704	3.3
431.09827	0.5
449.10965	0.4
462.07986	1.7
531.27765	0.8
541.13672	0.7
551.12042	2.5
569.12860	24.7
569.25970	4.3
570.13196	1.5
584.59430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1893
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
51.49474	0.5
57.03437	0.6
58.77861	0.5
59.01381	8.6
61.98835	6.6
68.99818	0.7
71.01379	5.8
72.99300	2.1
73.02958	0.9
75.00876	6.3
80.15106	0.5
83.01390	1.3
85.01027	6.1
85.02953	3.0
87.00883	1.4
88.98805	1.2
89.02467	2.5
95.01377	0.7
96.95992	0.9
98.00104	0.5
99.00873	1.5
101.02442	3.6
103.00357	2.4
109.02882	0.6
112.98812	5.4
113.00548	0.6
113.02459	4.1
115.00385	1.4
115.02113	1.3
117.01948	1.0
119.03515	0.9
119.53225	0.5
124.98803	1.2
125.02421	2.6
127.02083	1.6
129.01968	0.9
134.03683	0.4
136.01711	0.5
142.99850	0.7
143.05260	2.7
145.01430	8.5
145.03102	1.2
151.03989	1.1
154.99712	0.6
157.01425	2.5
157.03148	1.2
161.08180	0.6
165.05603	0.8
169.01448	0.7
169.03168	0.6
169.06808	0.8
187.02548	1.0
187.04243	1.3
187.07805	1.5
199.04199	0.5
263.05783	0.8
331.12051	0.5
333.06281	2.7
347.07681	0.5
349.13116	10.1
363.14590	2.7
391.14340	0.7
407.13831	1.1
421.11517	2.8
433.15253	0.6
449.14874	0.8
477.14349	0.8
526.98663	0.6
537.15881	0.9
569.18970	100.0
570.19543	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	569.2004
Annotation	Gigasol
Peak:m/z	Relative Intensity
59.01368	8.7
70.16558	4.7
70.16869	2.3
71.01367	6.2
71.28321	2.1
75.29112	2.4
85.70251	2.3
89.02405	2.9
98.21883	2.9
101.02466	5.4
113.02444	3.4
123.04586	2.2
159.04482	10.1
159.38919	2.3
191.10764	5.1
192.00558	2.9
193.12108	2.7
209.11815	20.3
361.16431	6.8
371.17099	100.0
523.21722	9.2
533.22394	15.9
569.19904	79.6
569.28076	3.3
570.20129	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	569.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.8
57.03455	1.2
59.01376	11.7
61.98822	4.7
66.95919	2.8
71.01387	9.8
72.99288	1.0
73.02937	2.6
74.73123	0.7
75.00844	0.8
80.91663	0.9
82.95413	100.0
83.01389	1.4
85.02936	3.8
87.00865	1.6
88.98797	0.9
89.02445	4.8
93.03448	0.9
95.01402	0.8
99.00877	1.7
101.02445	8.2
108.02159	1.8
111.00890	0.9
113.02436	4.8
119.03497	1.8
123.00838	0.8
123.04490	2.8
124.01667	1.1
125.02441	7.8
135.04514	1.0
137.02411	2.5
138.03146	0.9
143.03519	1.0
149.02429	0.9
150.03203	2.0
151.00368	0.9
151.04008	1.1
153.01944	1.0
161.02412	0.9
161.04521	2.6
162.03224	4.3
165.05536	2.8
167.03511	2.8
169.01399	1.3
175.03807	1.0
176.08386	1.6
177.01924	1.3
177.05553	3.5
189.86935	0.7
191.10799	3.3
195.06645	1.9
209.11824	20.6
221.06488	0.8
225.07851	0.9
259.06033	2.2
265.14279	0.9
269.04559	3.7
281.13928	1.7
287.05557	2.1
288.73843	0.8
341.10144	1.2
352.31882	0.7
353.10345	1.8
371.17087	7.2
397.67810	0.7
407.20914	1.9
487.70337	1.0
533.22388	72.8
534.22644	2.5
569.13739	1.8
569.26947	4.5
573.21191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09592	1.0
54.70885	1.0
59.01376	6.1
60.99308	1.3
61.98819	2.1
62.24432	1.0
69.08108	7.0
71.01370	6.2
72.18330	1.1
73.02940	2.3
78.88167	1.1
85.02942	2.5
87.00875	1.2
88.98805	3.5
89.02421	3.6
96.96013	15.2
98.22638	3.0
101.02424	3.8
105.31524	1.0
113.02425	2.3
124.01687	1.4
125.02415	3.8
136.05333	1.0
142.20587	1.0
152.01114	1.2
155.76991	1.1
169.01392	1.7
192.00635	4.3
193.01396	4.7
195.06540	1.6
209.11829	15.8
371.17075	100.0
372.17191	3.0
451.03955	1.1
479.08395	13.1
508.77945	1.4
522.20929	1.7
523.20978	1.6
525.25500	3.1
533.22351	2.0
568.27344	1.3
569.19879	46.0
569.27203	5.4
570.20123	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	569.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12717	0.2
52.33379	0.2
58.03911	0.2
59.01375	0.9
64.04120	0.2
68.02264	0.2
69.17979	0.5
69.18385	0.7
71.01381	0.5
73.02929	0.4
75.00864	0.7
88.98780	0.3
89.02432	0.6
99.92574	6.4
101.02422	0.4
106.36643	0.2
113.02496	0.3
114.55204	0.2
114.93391	0.4
116.92852	100.0
117.01921	0.6
117.92867	1.3
119.03458	0.2
125.02403	0.5
168.16629	0.2
183.68526	0.2
209.12025	0.2
326.07413	0.2
352.09140	0.2
362.34207	0.2
371.17087	1.7
546.03595	0.2
566.84723	0.2
569.18909	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41958	2.1
59.01378	100.0
60.86243	2.3
67.57857	1.9
99.00823	2.0
103.00366	5.4
103.01492	80.8
104.01058	1.7
109.75944	2.5
116.92863	6.4
137.06036	2.7
144.32175	1.8
144.64648	2.0
152.01106	2.7
164.75374	2.0
201.59218	2.5
237.15132	2.1
249.46005	2.0
260.23703	1.9
265.14423	31.9
306.79141	2.3
313.05649	2.2
465.29999	18.5
487.28110	9.7
494.76123	2.1
505.62125	1.9
579.31390	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	569.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11443	0.8
53.14191	0.8
59.02048	0.8
71.43137	1.3
78.95899	2.4
83.32414	0.9
92.64368	1.0
92.92702	1.0
96.96026	6.0
97.06602	6.3
108.02154	3.1
109.02959	2.4
122.03767	1.9
123.00847	1.5
123.04520	2.1
124.01692	5.8
135.04515	3.8
137.02432	7.1
146.03690	0.9
147.04553	1.5
149.02373	1.5
149.06032	1.3
150.03185	2.2
151.03975	2.1
152.99609	3.7
153.06989	0.9
159.04428	2.4
160.05296	1.4
161.02428	2.9
161.06134	1.1
163.04024	2.3
165.05595	1.3
173.06117	1.5
175.03979	2.8
176.04791	3.9
177.05568	4.1
178.06357	2.0
187.04042	1.5
189.05560	3.1
190.02721	1.9
190.06270	2.5
191.07164	2.1
202.06242	1.3
203.07185	3.9
219.06653	1.3
382.27432	1.0
433.23544	1.2
439.24966	4.6
456.25079	12.7
457.25916	19.3
471.27490	25.3
472.28281	39.8
473.28354	1.2
479.27820	2.2
493.29517	1.6
497.29160	1.6
510.30054	1.8
511.30658	42.2
511.38229	2.1
525.28290	5.6
526.32672	2.9
537.31976	6.8
554.32404	5.8
569.34814	100.0
570.35059	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	570.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86658	0.2
57.95870	0.2
59.01369	1.6
61.98827	100.0
69.09866	1.1
71.01376	0.4
73.02910	0.2
85.02959	0.3
88.98808	0.4
89.02442	0.6
89.94950	0.2
96.96028	0.3
103.67074	0.3
109.02956	0.2
121.02995	0.8
122.03733	0.3
123.04536	0.4
124.01742	0.2
125.02425	1.9
126.02734	0.3
137.02499	0.3
149.02534	0.4
150.03226	1.0
153.01967	0.4
158.80887	0.2
161.02495	0.4
165.05568	1.0
169.01428	1.2
177.05663	0.2
181.05183	0.2
192.00627	4.6
192.02298	0.3
193.01437	0.7
195.06641	0.5
207.02959	3.1
221.04007	0.2
234.01811	0.3
246.54535	0.2
249.63359	0.2
280.88986	0.2
287.05670	0.3
322.20801	0.3
330.91364	0.3
356.12354	0.3
418.12204	0.2
442.00348	0.2
462.16959	0.5
463.94534	0.2
505.96533	0.2
507.11417	3.9
569.26099	1.0
570.26770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
61.98829	100.0
69.39529	2.0
71.01363	0.6
82.95423	1.4
87.04514	0.8
96.96012	0.5
101.02544	0.5
112.45502	0.4
125.02493	1.8
153.01979	0.6
155.64247	0.4
161.02490	0.6
178.72884	0.4
210.18602	0.4
432.87665	0.5
571.27795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10957	0.1
50.25192	0.1
54.58792	0.2
58.72309	0.2
59.01382	0.9
61.98829	100.0
69.14828	0.4
69.15233	0.7
71.01379	0.3
74.90530	0.2
82.95429	0.6
84.95115	0.3
100.51675	0.2
101.02491	0.2
109.03030	0.2
125.02495	0.7
151.03989	0.2
153.01945	0.4
154.02380	0.2
167.03555	0.2
169.01399	0.2
177.01785	0.2
217.06705	0.2
227.73311	0.2
510.18307	0.2
576.28058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77798	0.5
61.98828	100.0
68.55544	0.4
70.73186	0.6
98.72074	0.4
104.31030	0.6
143.82661	0.5
167.19690	0.5
200.26860	0.5
219.22755	0.5
318.39590	0.6
506.83423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.13722	1.0
78.95913	0.2
162.69281	0.1
174.31535	0.1
210.07680	0.2
225.25369	0.1
242.04135	0.1
266.86087	0.2
422.47211	0.2
433.33383	0.2
507.36707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53678	0.2
61.98827	100.0
69.24336	0.5
69.24747	0.7
70.39928	0.2
78.95905	0.5
84.53389	0.2
85.22498	0.2
98.22699	0.3
137.82669	0.2
151.37321	0.2
152.99603	0.6
204.17422	0.2
241.01256	0.3
253.21805	0.2
254.22330	0.2
274.00430	0.2
356.23889	0.2
570.27997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63575	0.9
70.48435	2.0
70.49534	0.9
71.57832	1.0
75.58841	1.0
85.66241	1.1
92.39930	1.1
94.60072	1.0
108.02170	55.8
109.02963	11.0
151.03989	1.9
152.01144	52.2
153.01935	22.3
155.16246	1.0
156.90549	0.9
171.34012	1.0
280.61902	1.1
285.06152	100.0
286.06351	2.4
309.58505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1587
Annotation	Cyclorivulobirin A
Peak:m/z	Relative Intensity
55.89846	6.2
59.01105	6.4
59.01377	29.2
61.98813	15.6
63.88797	6.1
69.11788	15.3
69.12197	30.8
71.01378	6.9
80.91701	7.3
83.30101	5.9
84.95114	7.0
93.03462	47.2
101.02450	8.2
111.00887	11.2
113.02487	6.4
116.92858	18.0
121.02957	19.2
125.02446	34.1
127.39216	7.5
137.02452	100.0
153.02023	7.3
161.02422	9.3
167.03400	8.3
169.01447	13.3
197.04567	10.4
197.06190	6.9
227.07103	53.6
278.22055	6.8
299.63095	6.0
323.09796	7.1
343.08060	15.5
378.32104	8.1
527.97430	6.8
571.15808	42.7
571.27185	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	571.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.3
59.01358	1.7
61.98827	6.3
66.95914	2.2
69.13856	1.9
71.01385	1.5
73.02966	0.3
80.91675	1.2
82.95416	100.0
83.02501	0.4
84.00915	0.5
84.95106	0.4
85.02965	0.4
89.02457	0.7
101.02454	0.7
113.02443	0.7
119.03451	0.3
125.02442	0.7
131.03519	0.3
299.24710	0.3
369.35760	0.4
379.21350	1.0
511.25436	2.6
571.21130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
59.01112	1.1
59.01379	13.9
61.98827	1.1
69.03463	1.4
71.01370	4.0
71.05006	1.8
73.02939	11.2
75.00862	2.0
79.95719	1.5
83.01382	7.3
83.05018	1.0
84.95098	2.6
85.02946	2.6
87.00838	1.0
87.04494	1.6
87.82541	0.7
88.98795	2.5
89.02417	1.1
93.03493	0.8
96.96008	54.3
97.02945	1.1
97.06594	0.7
99.00896	1.5
99.04511	1.0
101.02427	4.3
109.02965	1.6
109.06572	1.2
111.00858	2.1
113.02427	2.8
114.93425	0.8
116.92908	1.3
123.00863	2.2
123.04494	0.9
124.01662	29.3
125.02444	19.6
125.06081	1.4
137.02426	1.6
139.00351	2.0
139.04007	5.6
139.07655	0.8
139.11267	6.1
140.01190	1.2
143.03453	0.8
151.11296	1.6
153.01976	0.9
167.10777	1.3
168.00633	100.0
169.01418	22.4
169.12326	4.1
177.01970	0.8
178.97159	0.7
179.10733	1.8
181.12415	3.7
183.02977	76.0
183.10252	13.8
184.03143	0.9
197.11836	1.8
199.13515	0.8
207.10307	0.9
225.11282	14.4
239.12895	0.9
243.12338	12.0
249.11285	2.5
267.12335	1.9
285.13470	1.6
291.12378	2.7
309.13339	1.4
327.14325	3.1
340.09323	1.4
344.43774	0.9
355.11761	3.7
361.36182	0.9
367.88666	0.8
373.13065	1.1
387.16602	12.8
401.11353	0.9
403.10779	0.9
458.18109	0.8
553.19421	1.2
571.20245	64.4
572.20813	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	571.2759
Annotation	Forskoditerpenoside A
Peak:m/z	Relative Intensity
55.01873	2.3
57.03449	4.0
59.01378	81.5
61.98830	28.0
69.11321	10.2
71.01379	40.7
71.01778	1.9
72.99284	3.0
73.02938	13.3
75.00882	1.5
82.95409	3.3
83.01391	4.6
84.95148	2.0
85.02944	19.6
87.00865	5.6
89.02434	22.2
93.03450	4.6
95.01404	3.3
96.96003	4.2
97.02943	2.4
98.95574	3.6
99.00875	4.6
101.02440	31.3
109.02968	1.6
110.93973	1.5
111.00887	4.9
112.98572	2.1
113.02457	22.5
117.42196	1.5
119.03493	7.3
119.12504	1.6
123.04527	4.0
125.02464	16.6
137.02487	7.6
143.03503	2.8
149.12778	1.4
151.03975	2.0
159.03009	3.9
159.04286	1.3
161.02451	4.8
161.04573	22.8
167.03522	1.6
169.01535	2.2
179.05621	6.5
220.40948	1.5
236.54201	1.5
269.04581	1.5
349.20227	12.5
397.21973	1.5
409.22449	1.8
493.25214	1.8
511.25482	100.0
512.25586	5.1
529.26740	4.5
571.27692	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	571.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98800	2.2
62.96418	1.3
78.95901	55.3
96.96960	12.8
103.01516	1.4
150.32819	1.3
152.99586	54.2
160.67946	1.0
169.28346	1.3
200.62671	1.4
223.00056	1.5
241.01183	28.0
255.23276	70.3
259.02325	1.3
261.89056	1.3
315.04779	6.1
326.03647	1.3
391.22562	5.1
466.66074	1.2
571.28790	100.0
572.29321	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	571.2885
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
65.01585	0.6
66.16473	0.6
71.41514	0.7
71.41866	0.7
78.95901	60.0
85.08978	0.6
96.96964	14.2
134.36400	0.6
150.98094	1.1
152.99585	55.1
204.61417	0.7
223.00107	1.8
240.98650	1.1
241.01183	27.3
255.23297	69.0
256.23639	1.8
315.04810	8.6
391.22440	4.9
571.28857	100.0
572.29187	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	571.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62920	0.6
63.38283	0.5
65.48230	0.5
69.31747	1.8
76.34563	0.5
78.95898	56.5
96.96956	12.3
150.97978	0.8
152.99579	51.2
153.99992	0.6
158.45679	0.5
171.00648	0.5
177.29865	0.6
223.00131	2.0
241.01170	29.5
255.23279	67.3
256.23593	1.5
298.85529	0.5
315.04803	7.5
322.72925	0.6
350.60614	0.6
391.22461	5.0
461.56290	0.6
537.01807	0.6
571.28827	100.0
572.29413	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	572.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.9
59.01377	96.2
60.01724	4.4
61.98830	12.3
69.36474	10.3
69.36875	13.1
71.01378	56.6
73.02950	16.8
75.81392	4.4
85.02940	11.9
87.00880	5.2
89.02445	79.3
99.00882	27.3
101.02442	43.0
113.02441	17.8
119.03499	7.0
125.02424	21.6
131.03506	15.5
141.11562	3.9
149.04564	67.7
161.04601	7.5
191.05675	12.1
206.91797	4.1
235.16954	4.8
251.07730	9.0
274.87790	5.1
293.08838	7.5
344.14053	4.3
397.22342	11.4
511.25128	4.6
529.26569	100.0
530.27094	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	573.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.6
59.01378	6.4
60.43855	0.3
61.98818	0.9
65.74277	0.3
69.17464	2.1
71.01379	1.3
73.02949	0.8
77.50598	0.3
78.95903	3.9
79.95734	3.0
80.45813	0.3
84.37027	0.3
85.02940	0.9
87.00871	0.5
88.98820	0.6
89.02453	0.9
93.03442	1.8
96.96010	100.0
96.96899	5.7
98.22595	0.9
101.02449	1.5
111.00859	0.7
113.02460	1.1
125.02435	2.2
137.02444	7.3
137.03491	0.5
138.79266	0.4
163.06190	0.8
169.01456	1.0
170.93068	0.4
192.00677	0.5
221.15585	0.6
243.06636	0.6
248.48822	0.3
265.14471	1.8
351.21869	0.4
369.22916	0.5
427.10202	0.4
513.27136	0.5
531.28137	0.7
537.16266	0.7
573.29205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
58.15463	0.5
59.01376	4.9
60.99313	0.5
61.98829	6.7
63.99250	0.5
65.13835	0.4
65.20979	0.4
69.10012	2.8
71.01375	1.0
72.85874	0.5
81.03439	1.0
81.91814	0.5
82.95428	1.4
83.01395	1.0
85.02934	0.6
87.00860	0.5
88.98801	2.3
94.19637	0.5
95.05035	0.9
96.95969	0.5
101.02456	0.6
105.03465	1.4
111.00881	1.6
113.02443	0.8
123.04528	0.6
124.01626	1.5
125.02444	40.1
125.06074	0.6
126.52325	0.6
133.02957	0.9
135.08176	1.5
136.01660	1.8
137.02461	1.0
138.03236	1.2
139.07683	0.8
139.71089	0.6
149.02415	0.7
150.03296	0.6
151.07634	1.6
152.08430	0.5
153.09061	0.5
161.02444	13.4
162.03242	3.3
164.01137	6.1
165.01904	1.0
166.02698	3.0
167.03551	0.6
169.01344	0.5
173.02541	0.6
177.01944	2.3
177.05540	1.0
178.02718	1.4
178.99850	1.9
179.07124	7.0
183.02985	0.9
189.01949	0.9
190.02719	7.3
191.03403	0.6
192.00638	100.0
193.01411	19.6
194.02185	9.5
194.99226	0.7
196.14735	0.6
201.05594	0.9
201.12833	1.6
203.03571	0.7
204.11494	1.5
205.01378	4.7
205.05127	0.5
206.02225	5.4
207.02971	86.8
208.03329	1.5
209.00914	0.6
209.04602	1.1
219.13860	2.5
221.00905	1.9
222.01701	5.5
223.09721	10.7
232.03801	1.6
234.01677	24.5
235.02235	0.9
237.04016	4.5
245.11861	1.1
249.04019	24.8
250.04439	0.6
263.12915	3.1
269.04596	0.9
276.02606	0.7
287.05579	1.4
291.05170	0.9
294.03760	1.9
299.12585	0.7
309.06155	12.7
312.04861	7.8
327.07196	29.9
351.21725	0.9
367.11810	1.6
369.36563	0.6
385.12900	14.7
440.21927	0.5
513.30737	0.9
531.27618	0.9
558.17377	0.8
573.19653	22.6
574.19702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31879	1.0
57.03450	0.9
57.34914	0.9
59.01365	1.6
61.98822	2.2
64.18334	0.9
71.45251	1.0
78.02380	0.9
88.98820	5.0
101.02430	1.3
111.00925	4.3
113.56402	1.0
124.01656	1.3
125.02421	3.9
136.01648	2.0
153.11395	0.9
161.02451	2.7
162.03177	2.8
164.01163	7.9
166.02701	2.6
177.01936	1.7
178.02632	1.8
178.99826	2.9
183.02919	1.5
190.02721	5.7
192.00635	100.0
193.01392	16.2
194.02188	8.7
201.12820	1.6
205.01439	3.3
206.02164	3.8
207.02979	72.1
207.13901	1.2
208.03343	1.3
219.13860	3.1
221.00905	2.4
222.01697	4.2
232.03656	1.0
234.01663	18.9
235.02333	1.3
237.03943	4.7
239.56894	1.0
249.04041	18.7
261.11133	0.8
263.12830	2.2
291.04895	1.2
294.03687	2.0
309.06131	8.3
312.04865	9.7
327.07172	44.0
328.07614	1.9
487.11880	1.1
573.19739	17.2
573.28308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67610	1.6
59.01374	4.6
61.98823	24.1
67.00777	1.6
68.95619	2.6
70.85769	1.8
72.05870	1.7
75.48563	1.7
75.68994	1.4
82.95419	15.5
84.00922	2.7
84.95116	100.0
85.00433	83.4
111.00864	6.5
125.02425	4.3
126.40688	1.8
137.25142	1.6
192.00694	2.1
273.01395	1.6
290.49063	1.9
298.45389	1.7
335.87741	2.1
342.19376	1.8
347.58582	2.0
434.29800	1.7
532.38672	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	573.2548
Annotation	Lembehsterol B
Peak:m/z	Relative Intensity
55.01865	1.9
56.24947	0.8
57.03448	1.5
59.01378	42.6
61.98817	5.5
69.03462	0.9
71.01376	28.3
72.99305	1.2
73.02943	13.8
83.01392	5.5
84.95120	1.1
85.02944	10.4
86.00086	0.8
87.00859	3.8
88.98803	2.1
89.02441	12.2
95.01382	3.4
97.02952	1.2
99.00863	3.8
101.02444	22.5
108.02150	0.8
111.00869	2.5
113.02445	14.0
119.03524	5.1
122.03702	1.1
125.02459	4.9
131.03491	5.1
135.04552	0.9
137.02411	0.8
138.03244	1.0
143.03500	2.5
149.04581	1.4
159.02969	1.7
161.02484	0.9
161.04559	8.3
179.05623	1.3
192.07892	1.8
205.15897	1.1
207.10245	11.5
221.06618	4.0
231.13849	2.2
249.14902	3.6
263.07660	1.7
263.16495	3.3
268.19012	0.7
305.09009	0.7
315.02463	0.7
323.09576	1.0
398.22800	0.8
411.20142	6.8
513.26404	1.7
530.27063	1.3
531.28339	1.3
535.92151	0.7
573.25464	100.0
574.25751	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	573.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42284	3.5
59.01375	100.0
61.98825	11.6
69.16401	23.6
76.57858	3.5
78.95903	9.2
98.22623	5.8
100.39384	3.2
103.00389	9.0
103.01495	66.8
113.17067	4.3
114.68030	3.5
116.92779	4.7
123.00594	3.4
150.32851	3.7
152.56395	3.4
152.99545	8.6
265.64249	3.7
370.21100	3.6
411.21814	7.6
423.21616	14.5
439.21140	9.1
454.23877	9.6
469.25931	61.3
573.29028	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	573.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40825	1.8
59.01381	27.7
61.98825	8.7
69.13490	11.3
71.01377	30.7
73.02950	9.7
78.95919	1.9
83.01385	2.4
85.02936	11.2
88.98770	3.0
89.02456	14.5
95.01366	2.1
97.02966	2.4
99.00871	6.6
101.02442	24.3
101.90260	1.8
108.77312	1.6
113.02462	8.8
119.03481	4.9
125.02430	8.4
131.03444	1.7
143.03444	2.6
149.04506	3.6
161.02470	3.3
161.04506	8.1
161.17513	1.6
166.73036	1.6
219.17528	3.1
233.06654	1.8
256.95590	1.6
342.44473	2.2
381.22800	9.6
385.12790	2.5
394.41049	1.7
416.91565	2.0
513.27063	100.0
514.27814	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	573.2914
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
51.29129	2.7
51.75072	3.0
53.99890	3.7
57.42151	2.8
59.01375	30.2
61.98823	9.5
64.17056	3.0
67.72977	3.2
71.01390	24.2
73.02938	13.7
85.02937	12.6
87.00881	3.6
88.98826	9.3
89.02451	10.0
97.02950	3.9
98.21866	8.4
99.00863	5.6
100.11559	3.4
101.02439	24.1
105.40414	3.3
113.02444	13.5
125.02438	8.4
138.37422	3.7
149.04553	4.7
161.04500	7.8
267.07559	3.7
349.30722	3.4
381.22864	14.5
513.19165	5.3
513.26984	100.0
558.17358	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	573.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98821	17.1
63.07917	10.7
64.53158	13.1
65.90083	11.2
71.01388	59.0
73.02963	12.6
89.02448	33.3
94.13408	12.1
98.22586	34.0
99.00909	12.4
101.02428	25.3
131.03522	32.4
161.04573	18.2
181.14629	11.4
211.91231	11.5
227.11087	11.9
326.20901	13.4
374.74228	14.6
381.22864	89.1
481.90860	12.4
513.26984	68.3
536.27362	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	573.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97206	0.9
55.01855	1.3
55.23081	0.9
55.39383	0.9
57.03438	1.3
59.01379	68.3
61.98831	24.4
63.99258	1.1
67.21939	0.9
69.17658	5.2
71.01380	36.7
72.99300	1.0
73.02962	2.7
85.02937	5.9
87.00875	2.6
88.98790	1.3
89.02441	56.5
95.01383	3.3
96.96002	2.9
101.02443	19.2
104.33911	0.8
108.02165	1.1
111.00888	1.7
113.02450	18.9
115.82051	1.0
119.03503	20.7
121.03026	1.1
125.02487	7.2
131.03494	2.7
134.03719	1.5
135.04510	1.4
137.02478	1.3
143.03477	7.2
149.04543	3.1
149.06070	2.0
150.03233	1.2
151.11267	1.2
160.01718	1.2
161.02461	1.2
161.04529	8.9
165.05551	2.5
169.01384	1.8
175.03972	1.7
179.05612	47.4
210.01726	1.1
225.03932	1.3
249.15042	1.1
265.14352	1.7
285.06183	1.6
287.20221	2.1
289.21637	2.5
307.22778	1.1
314.92352	0.9
323.09229	1.0
333.20782	4.6
349.20087	2.3
351.21747	100.0
352.22055	3.5
375.26831	1.1
393.22876	1.7
475.18365	1.4
513.26447	1.9
530.26617	1.5
531.28107	1.5
538.25580	5.1
573.21490	1.6
573.29962	2.3
574.23932	1.0
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
59.01370	16.2
69.15318	6.8
71.01363	2.4
73.02919	1.0
73.71201	1.1
75.64101	1.2
78.95922	1.4
79.63698	1.0
85.84454	1.0
89.02425	2.4
97.41792	1.1
101.02448	2.3
107.47337	1.0
113.02472	1.2
125.02400	1.0
133.05099	1.2
161.04649	1.4
203.84822	1.0
235.08153	1.1
253.09283	18.3
277.21704	100.0
278.21964	2.3
351.56277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
63.13767	0.2
82.95402	0.4
85.02947	0.3
99.92583	8.7
101.02450	0.3
114.88188	0.3
114.93349	0.3
116.92856	100.0
116.98310	0.5
117.92853	1.4
125.02444	2.2
150.03178	0.8
161.02341	0.3
165.05605	0.7
169.01428	4.0
175.77290	0.3
244.25256	0.3
327.90381	0.3
492.98734	1.0
520.98083	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	575.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
64.92579	0.2
69.29118	0.6
71.01381	0.4
72.37589	0.1
73.02936	0.4
78.95894	0.6
79.95740	3.1
80.96517	1.0
83.82781	0.2
85.02945	0.2
96.96007	100.0
101.02457	0.3
113.02498	0.2
119.03486	0.2
119.93362	0.2
125.02419	0.3
126.90443	1.1
163.06155	0.3
164.98683	0.2
242.02238	0.3
256.81699	0.2
271.02463	0.4
287.02026	0.7
315.01370	0.9
316.02219	2.1
331.04556	1.1
339.99042	0.5
413.99039	2.1
414.45587	0.2
429.01364	3.8
445.98221	0.3
471.15497	0.8
477.10468	1.9
497.59644	0.2
515.24377	0.2
557.19727	0.2
575.20020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01375	6.5
60.15357	0.9
60.99010	1.2
60.99303	16.1
61.98825	2.1
71.01381	5.2
72.99318	1.1
73.02950	1.2
77.73625	1.0
78.91876	2.8
80.91679	52.1
82.95396	1.3
85.02953	2.0
88.98804	100.0
89.02452	3.1
96.96033	1.6
98.66772	0.9
101.02448	3.7
108.02191	4.8
109.02422	1.2
109.03033	1.5
110.08436	0.9
113.02451	2.2
116.92880	1.1
119.03474	1.9
120.69258	0.9
123.00827	1.1
125.02440	8.1
126.02833	0.9
133.85912	1.0
137.02420	1.7
152.01149	3.6
153.01866	1.6
153.95551	1.1
161.02415	4.0
161.04568	1.9
165.01917	1.6
165.05540	1.5
177.01927	1.9
179.05579	1.4
182.02232	1.9
192.00681	8.0
193.01378	4.9
197.04506	2.0
207.02957	2.8
208.27361	0.9
232.99402	2.4
247.98082	1.7
270.25653	1.0
273.99655	3.5
275.00430	1.6
285.06137	4.2
286.06519	5.0
287.06653	4.8
291.58359	1.1
341.08752	1.3
413.17197	1.3
413.22021	2.1
449.08441	1.1
482.04019	1.8
485.02701	3.4
493.09830	4.6
500.04996	4.8
515.08032	5.4
518.05426	3.3
560.06451	2.9
575.08740	10.6
575.27710	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	575.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10881	0.3
55.97314	0.3
57.03437	0.6
57.57402	0.3
58.83376	0.3
59.01375	3.6
60.99305	14.7
61.98825	1.4
65.83636	0.3
69.08813	1.8
69.09207	0.6
71.01383	2.0
73.02945	1.1
73.54673	0.4
82.69011	0.3
83.01376	0.5
85.02975	0.6
87.00848	0.4
88.98805	100.0
89.02445	1.3
89.99110	0.3
91.51382	0.3
96.96022	1.9
101.02441	1.6
111.00870	0.5
113.02456	0.7
119.03502	0.3
123.04516	0.3
125.02446	5.5
126.90462	0.7
127.73744	0.3
137.02455	0.9
151.00275	0.4
153.01898	0.5
161.02448	1.7
163.06104	0.9
167.03506	0.5
177.05568	0.5
205.07236	0.4
233.11905	0.3
287.05554	0.9
315.21347	0.4
376.95413	0.4
413.21976	0.5
533.25964	0.7
575.00385	0.9
575.27124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04976	3.5
60.74288	3.2
64.75686	3.7
67.63799	3.3
68.19837	2.9
68.80537	2.9
91.05573	3.5
91.63415	3.3
125.02465	3.9
133.61453	3.3
161.02441	3.3
164.01120	5.0
190.02718	8.6
192.00661	64.0
193.01431	24.4
194.02242	17.0
207.02965	33.4
222.01680	8.5
234.01701	20.4
237.03952	3.3
249.03966	13.5
285.06207	3.7
300.96219	3.7
312.05042	16.4
327.03326	6.3
327.07199	100.0
362.55612	3.4
411.09222	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	575.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.8
59.01111	1.0
59.01382	10.3
59.23408	0.8
61.98821	0.9
69.12089	5.2
71.01381	3.3
73.02930	2.8
75.00800	1.1
81.03463	1.9
82.95398	0.9
83.01379	2.4
85.02945	1.6
87.00864	1.2
88.98829	1.8
89.02428	1.3
92.88576	0.9
93.03414	0.9
95.05024	2.0
96.96005	2.6
97.51360	0.7
101.02442	2.1
105.03447	1.9
108.02183	2.4
109.02951	42.9
112.37585	0.7
113.02464	2.3
123.04519	12.4
125.02443	85.0
126.02798	0.8
135.08133	2.2
137.02434	4.8
138.03294	0.8
139.04016	2.2
151.00317	1.0
151.04002	1.3
153.01933	100.0
154.02271	1.5
161.02446	23.8
164.01028	0.9
165.01895	4.0
165.70790	0.7
167.03465	3.1
169.01414	1.6
177.01889	1.0
177.05571	2.9
179.03473	3.2
179.07112	13.1
191.07088	2.1
192.00586	1.7
201.05499	1.1
219.06577	3.8
221.04427	1.0
223.09734	16.6
233.08281	1.2
235.09785	2.6
243.06580	1.5
245.04501	0.8
263.12933	1.1
265.10904	0.9
269.04593	1.9
275.05511	1.7
287.05496	2.1
305.06680	12.3
323.09070	1.1
341.10318	1.9
359.11386	2.1
367.11954	3.0
385.12909	31.3
386.13065	1.0
403.08878	1.2
403.13956	17.3
441.49365	1.0
457.33649	0.8
478.07526	1.6
531.28302	4.5
539.15454	12.9
575.14221	1.1
575.21948	0.9
575.30255	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	575.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
57.03432	2.3
59.01377	60.3
60.99294	2.1
61.98830	32.4
69.03458	1.8
69.73364	1.6
71.01381	39.4
71.01779	2.8
71.08144	2.5
73.02931	12.8
79.01865	1.6
82.95415	2.4
83.01386	9.2
83.05069	1.5
84.37119	1.6
84.95127	3.2
85.00452	2.6
85.02937	15.6
87.00873	4.9
88.98808	16.9
89.02438	22.5
95.01378	2.6
96.96006	8.6
97.02974	2.7
97.29044	1.6
99.00914	4.6
101.02445	28.0
104.59334	2.0
109.02966	2.9
111.00934	2.4
113.02443	17.5
116.92854	1.8
119.03467	7.6
121.02957	3.2
122.03735	2.0
124.01615	1.8
125.02436	8.8
125.43344	1.7
126.90322	1.9
131.03517	2.7
137.06047	2.3
138.03267	2.4
139.00369	1.6
143.03525	3.2
149.04538	2.8
149.09673	10.5
152.43166	1.6
161.04529	7.1
163.07741	2.9
165.09198	100.0
171.34724	2.1
179.05562	4.4
189.09155	3.1
191.10733	3.5
207.10223	7.9
209.11798	8.3
215.50349	1.5
219.10471	2.6
221.06676	4.7
225.07642	4.3
251.12947	2.2
251.16440	2.4
263.07632	2.6
327.14478	82.7
328.14774	3.2
353.16052	2.9
371.16995	11.2
413.17508	2.1
468.06509	1.8
471.12000	2.8
471.18683	59.0
489.19730	65.9
490.20142	2.9
512.12842	3.6
529.26520	8.6
531.20728	63.6
532.21283	3.7
533.22394	3.7
537.15942	3.7
575.27917	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	575.2112
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
55.60645	0.8
59.01377	21.8
61.98812	2.8
63.43467	0.7
65.83766	0.9
67.89709	0.8
69.03456	1.1
70.50897	1.3
71.01379	8.8
73.02955	4.1
78.95900	36.5
79.95715	1.1
80.02650	1.0
81.03453	1.5
82.95442	2.1
83.01369	2.2
83.05011	8.1
85.02956	2.5
89.02451	5.6
94.98054	1.4
95.01366	1.4
95.05025	1.0
96.96006	14.1
96.96962	7.5
101.02425	6.8
113.02452	5.2
119.03510	1.5
125.02405	3.6
137.02448	1.8
140.33032	0.9
152.99586	41.4
153.22333	0.8
161.04584	1.0
163.11272	4.0
165.05544	1.5
165.12794	3.1
171.00667	1.2
179.05661	1.4
181.12280	0.9
191.10687	1.4
192.00606	1.9
193.01372	1.7
198.05226	1.0
209.11816	74.7
213.78514	0.9
223.00121	3.6
227.12935	7.8
241.01198	18.8
245.09181	2.2
257.40619	0.8
274.82852	0.9
315.04880	6.7
345.40646	1.0
377.15955	2.6
396.01450	0.9
420.91827	0.9
477.07230	1.1
479.08560	1.5
487.21912	8.3
515.25446	1.3
543.18433	3.4
575.21063	100.0
576.21454	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	575.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90836	2.1
57.03439	2.7
59.01380	100.0
61.98818	4.6
69.03462	3.6
69.40017	7.3
69.40408	4.4
71.01009	4.9
71.01382	73.6
72.99274	3.8
73.02933	12.6
80.91695	11.8
81.03420	3.3
83.01410	7.7
85.02939	17.3
87.00870	8.0
89.02442	71.6
95.01402	3.4
96.96038	3.6
97.02949	6.7
98.21801	3.8
99.00882	5.5
101.02442	63.3
101.23942	3.1
111.00845	4.4
113.02457	30.1
114.75130	2.7
119.03505	38.0
125.02443	37.6
126.90466	2.5
131.03497	5.2
132.61967	2.6
135.00151	2.3
143.03471	7.9
148.08986	6.0
149.04547	3.3
161.04567	14.4
176.08394	17.1
179.05618	27.0
191.10762	26.9
192.00612	9.8
193.01407	4.9
207.02991	4.1
213.11679	2.4
221.06659	26.6
234.01649	5.4
251.16458	11.1
263.07693	11.3
323.09805	68.5
327.07050	3.1
349.05392	3.2
400.24338	4.1
413.16473	3.1
413.21793	10.7
493.17026	7.3
529.26282	7.9
532.28503	19.7
575.27124	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03450	1.0
59.01378	25.2
61.98827	4.6
69.03445	1.1
69.17918	2.3
69.18318	1.7
71.01383	16.3
72.99299	1.1
73.02943	6.8
73.23721	0.7
74.59239	0.7
81.03433	1.1
82.95412	2.5
83.01373	1.8
85.02935	6.7
87.00849	1.0
88.98790	2.2
89.02443	11.6
95.01384	1.3
96.96010	1.7
97.02946	2.0
99.00886	2.0
101.02445	10.8
103.04015	5.9
108.02173	11.1
109.02940	1.8
111.00825	1.5
113.02425	3.8
116.92889	1.0
119.03537	4.0
120.08167	1.2
121.02969	1.6
121.08568	0.8
122.03773	3.3
122.06109	0.9
123.00815	0.8
123.04518	2.5
124.01641	0.8
125.02444	13.1
126.90400	3.2
127.00182	1.1
127.03976	0.9
131.03493	1.7
136.05312	3.9
137.02472	1.6
139.04031	0.9
143.03511	1.0
145.05081	1.5
147.08180	1.8
149.04541	2.1
150.03288	1.0
152.01123	9.8
153.01927	1.0
161.02377	0.8
161.04550	4.9
163.03989	0.8
163.06125	7.9
164.08464	5.6
167.03479	15.3
168.17233	0.8
177.05533	0.7
184.97523	0.7
191.07098	2.0
192.00687	1.1
192.07927	13.5
193.30630	0.8
205.07213	1.0
207.10252	100.0
208.10539	2.4
209.08147	1.4
221.11803	1.6
247.08205	2.7
251.16493	1.0
278.56369	0.9
293.08725	1.3
302.14551	0.9
307.10309	10.5
383.16846	2.2
407.03748	0.7
509.14172	0.9
515.21332	2.7
529.26550	1.8
532.28754	1.4
537.23041	2.0
539.30548	4.4
575.20197	1.4
575.28320	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	575.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.6
59.01377	100.0
61.98835	21.7
63.26320	3.5
69.03426	4.0
71.01379	80.2
71.05005	5.9
73.02938	17.1
82.95400	3.7
83.01365	10.4
85.02964	22.5
87.00838	3.3
88.98782	4.0
89.02440	57.4
90.23045	3.5
95.01389	5.0
96.96000	4.9
97.02895	4.3
98.22701	8.3
99.00868	8.0
101.02433	56.4
104.66598	3.6
111.00888	5.6
111.50082	3.2
113.02443	33.3
119.03489	22.3
125.02470	36.5
126.90388	3.9
131.03481	4.6
137.02391	5.7
143.03468	9.6
149.04549	5.0
161.02467	4.3
161.04570	19.1
161.05919	4.5
167.03383	4.3
174.56607	4.0
176.08362	7.7
179.05594	15.5
191.10797	17.3
192.00630	11.8
194.09418	7.3
207.02972	8.1
209.11806	9.4
221.06624	10.9
239.42763	3.5
251.16534	30.4
263.07758	5.5
323.09885	39.7
413.22195	17.8
435.22742	3.4
472.20331	3.9
529.26373	11.8
531.28546	5.7
532.28265	22.9
558.29456	3.6
575.27325	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	97.1
67.71309	0.9
69.03448	0.9
69.65455	2.4
69.65805	1.1
71.01000	1.8
71.01377	20.8
72.99300	2.4
73.02944	34.7
75.19696	0.9
82.95403	3.8
83.01382	1.3
85.02949	11.2
86.00063	0.9
87.00873	7.8
87.04521	2.9
89.02441	21.0
96.96012	13.7
96.96952	1.0
101.02441	49.3
103.04004	21.0
113.02454	2.5
115.04005	9.9
116.92846	1.1
119.03488	9.9
119.71745	0.9
124.82939	1.0
125.02431	6.6
127.04011	2.1
131.02759	0.8
131.03520	7.2
143.03500	8.6
145.05072	6.8
163.06120	100.0
165.05475	1.7
169.01418	1.8
184.56438	1.0
188.89590	0.9
193.01349	1.0
195.06578	1.2
205.07147	17.6
207.34273	0.9
235.08188	2.0
265.09244	11.2
289.09259	1.2
295.19049	0.8
316.02124	1.2
325.11389	3.1
464.35513	1.0
493.09933	1.7
497.16821	1.5
515.24683	1.1
531.22644	1.1
539.13922	1.4
539.22394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03453	8.5
59.01378	100.0
60.37374	0.8
61.98821	4.1
69.03452	4.5
70.80498	1.1
71.01379	36.3
72.99288	1.6
73.02943	18.3
77.82407	0.9
80.96513	2.4
81.03445	3.7
83.01380	4.5
83.69951	0.9
85.02942	18.8
87.00872	3.1
87.04531	1.0
88.98824	1.0
89.02449	24.1
95.01418	2.7
96.95992	7.3
97.02945	8.1
99.00877	1.8
101.02440	32.4
103.03367	1.9
103.04012	22.6
109.02955	3.0
109.06592	1.3
113.02472	5.3
115.04015	1.8
116.92897	2.2
119.03509	12.5
125.02446	30.1
126.90383	1.3
127.04010	1.2
131.03508	1.5
135.00880	3.0
136.01602	1.9
137.02393	1.3
137.09715	2.8
143.03473	2.8
145.05066	5.6
146.85080	1.0
151.03978	2.8
153.01955	4.6
154.19048	0.9
161.04497	1.8
163.06137	24.3
169.01390	1.1
192.00668	1.1
192.11562	5.4
193.01305	1.3
204.04233	2.7
205.07172	3.1
207.13907	17.8
247.08208	7.0
251.16614	1.8
289.09323	1.8
300.02582	1.7
307.10373	21.2
344.55457	1.0
371.11023	2.2
399.23764	3.1
417.24734	1.1
471.15329	3.0
531.23828	1.3
533.20825	1.4
575.13025	2.0
575.21008	2.1
575.29449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.0
61.98837	0.7
71.01376	2.3
73.02950	0.5
75.00879	0.6
89.02455	2.2
101.02449	2.5
113.02436	1.1
119.03458	0.6
120.80679	0.5
161.04575	1.3
165.89354	0.6
235.08284	1.9
253.09286	11.6
279.23294	100.0
280.23669	1.7
333.17056	0.6
351.99240	0.6
467.19028	2.3
497.79233	0.6
545.02380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10599	0.3
52.98065	0.2
59.01377	10.7
61.98809	0.4
69.16016	0.3
70.04974	0.5
71.01382	2.1
73.02941	1.0
78.95911	0.8
83.01371	0.4
85.02930	0.5
89.02433	2.5
101.02430	2.2
108.02182	0.4
113.02453	1.0
113.43961	0.3
119.03488	0.9
152.99596	0.6
161.04538	1.1
172.87856	0.3
173.48715	0.3
179.05539	0.3
235.08186	2.1
253.06577	0.4
253.09270	14.0
279.23276	100.0
280.23691	2.3
296.12149	0.3
347.39529	0.4
403.87149	0.3
515.33008	0.3
556.25195	0.3
575.29419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
60.77021	0.6
61.98827	100.0
69.13772	3.4
76.43648	0.5
78.95916	1.5
83.81279	0.5
84.88607	0.5
87.63367	0.5
107.76592	0.6
127.68065	0.6
152.99609	0.8
281.83182	0.7
282.79214	0.6
416.03036	0.6
539.46790	0.6
576.29132	1.2
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
54.52467	0.3
55.13660	0.3
59.01354	0.3
61.98829	100.0
70.46224	0.8
70.74529	0.3
77.41615	0.3
78.95910	0.5
132.09282	0.4
175.77332	0.3
205.07623	0.4
216.42137	0.4
274.74231	0.3
443.24228	0.5
488.88321	0.4
528.00043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06743	1.0
61.98826	100.0
63.07256	1.1
63.76358	1.1
66.08022	1.0
96.99880	1.2
118.96976	1.3
183.64996	1.5
208.93582	1.4
220.62709	1.1
249.74974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14694	0.1
61.98828	100.0
62.19833	0.1
70.23920	0.3
70.24238	0.1
77.99763	0.1
80.96546	0.3
87.41497	0.1
110.54341	0.1
126.43039	0.1
140.14937	0.1
177.78123	0.1
278.22214	0.1
360.58063	0.1
516.55316	0.1
552.66846	0.1
577.26819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06915	0.8
59.01377	17.3
61.98812	3.0
66.58174	0.8
67.72073	0.8
67.89823	0.8
70.33420	1.6
78.95897	7.6
130.68547	0.8
152.99599	1.1
168.04285	1.6
181.94843	1.0
224.06787	1.2
242.07965	2.7
245.31784	0.9
277.21707	100.0
278.22256	1.7
424.50235	0.9
502.29352	41.3
503.29739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.05
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
70.08826	0.3
70.09189	0.4
79.95728	2.6
80.80887	0.2
85.02936	0.2
96.96008	100.0
121.64352	0.2
155.56517	0.2
156.25116	0.2
156.44254	0.2
192.00616	0.4
193.01436	0.6
207.02806	0.2
266.25613	0.2
289.97568	0.6
324.89633	0.2
425.04214	0.4
479.07938	1.0
489.23608	0.5
600.90039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98823	3.0
66.95909	2.2
69.18359	0.9
69.18767	1.8
71.01389	1.4
73.02942	0.6
79.02274	0.5
80.91685	1.7
82.95415	100.0
84.27699	0.4
89.02453	0.9
101.02449	1.4
104.41621	0.5
113.02428	0.8
116.14754	0.5
125.02396	1.4
136.93974	0.5
139.00380	0.5
155.59230	0.5
161.04530	0.6
167.03442	0.5
171.82396	0.4
191.03389	1.1
192.00610	3.1
193.01169	0.7
207.02979	1.7
234.01700	0.8
296.06744	0.4
309.06122	0.7
327.07059	1.0
331.43994	0.5
406.63342	0.5
493.17264	1.0
495.17508	1.2
531.28076	1.7
577.21655	0.7
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
56.25256	0.9
57.03446	11.0
62.73721	0.9
77.05843	1.0
81.03444	2.5
83.01379	4.1
93.03454	1.2
95.05027	3.5
97.02951	3.9
105.01234	0.9
109.02956	17.8
117.03381	1.5
121.02949	4.3
122.03757	1.4
123.04527	13.9
125.02446	100.0
133.02953	4.0
135.04491	2.5
137.02432	19.8
139.03986	3.6
142.34341	1.0
146.03757	1.2
147.04570	1.3
149.02441	6.2
150.03178	1.5
151.04019	14.3
159.04489	2.7
161.02437	23.5
161.06053	3.6
162.03212	2.7
163.00343	1.8
163.04013	2.4
164.01143	3.7
165.01939	5.0
167.03508	1.7
175.03958	8.3
177.01927	6.4
177.05577	2.2
177.09166	4.9
179.03485	5.1
184.08269	1.0
187.04008	8.3
188.04749	3.4
193.05212	1.2
199.04013	1.2
201.05569	1.7
202.06255	1.1
203.03445	2.0
203.07133	10.6
205.01408	3.4
205.05040	7.8
211.89099	1.2
212.04631	1.3
214.02470	1.1
215.03529	1.3
217.05075	1.1
219.02977	1.4
221.08139	3.2
227.03537	1.8
227.07159	2.8
229.05034	3.1
230.05850	1.5
243.02977	3.0
245.04482	4.4
245.08112	13.8
252.09845	1.3
253.10783	4.6
253.14371	1.4
255.02969	9.8
256.03778	5.4
257.04538	2.6
269.04492	3.0
273.04050	4.7
281.04489	3.8
283.02432	1.5
285.03952	2.5
287.05688	9.3
289.07159	66.5
290.07642	1.9
297.04089	1.3
299.05600	5.7
305.06686	1.6
329.06732	1.6
332.54083	1.0
339.08676	4.2
340.85245	1.2
381.09619	3.0
407.07700	61.1
408.08060	2.6
415.16031	3.9
423.06967	1.8
425.08759	24.1
451.10394	13.8
452.11472	1.4
577.13245	7.5
577.21570	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	577.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86065	1.1
57.03444	14.5
59.01366	6.4
67.01929	1.3
69.03438	1.5
71.01375	11.4
73.02943	4.2
81.03452	3.5
83.01380	7.9
83.41873	1.0
85.02946	4.6
89.02429	2.9
95.01364	1.9
95.05003	2.8
96.96001	3.3
97.02944	5.2
98.22698	2.5
101.02457	8.1
107.05040	1.4
108.02202	1.3
109.02946	20.5
113.02455	4.5
113.75774	1.1
121.02946	3.8
122.03742	1.7
123.04511	15.5
125.02447	100.0
125.37025	1.1
126.02705	1.1
131.04936	1.4
133.02974	3.7
135.04570	1.2
137.02440	22.1
139.04054	3.4
143.04941	1.1
145.02954	2.1
146.03728	1.8
147.04550	1.5
149.02437	7.5
150.03186	1.5
151.03990	14.1
155.04976	1.6
159.04478	2.4
160.05280	1.5
161.02435	29.8
161.04585	3.4
161.06065	3.8
162.03200	2.1
163.00359	1.9
163.03992	3.6
164.01163	3.5
165.01938	4.9
167.03494	3.5
173.06110	1.3
175.04021	14.1
177.01949	8.6
177.05563	2.0
179.03476	3.8
187.03964	8.8
188.04742	2.2
191.03404	1.3
191.10789	3.2
193.05070	1.7
199.03958	3.3
201.05557	2.6
202.06235	1.4
203.03508	2.5
203.07115	9.5
205.01523	1.9
205.05008	8.7
207.10284	1.7
210.04695	1.1
213.05566	1.9
215.03462	1.8
217.05028	3.2
219.03024	1.8
227.03470	2.8
227.07146	1.8
228.04314	1.3
229.05070	4.2
231.02919	1.6
235.09769	1.6
243.02994	12.1
245.04491	6.1
245.08153	11.6
247.05943	1.4
251.05666	1.1
252.10052	1.4
253.05203	1.6
253.10718	7.4
253.14523	1.8
255.02934	14.5
256.03653	5.5
257.04434	2.8
269.04492	1.7
273.03931	6.4
281.04486	3.2
283.02512	2.7
285.04080	2.4
287.05551	10.9
289.07156	67.1
297.04117	1.9
299.05594	7.1
311.07568	1.3
312.35669	1.3
329.06613	1.8
339.08658	4.2
341.06610	1.6
371.09894	1.3
381.09665	2.8
405.06012	2.6
407.07660	70.1
408.07935	3.0
415.16010	3.1
415.24069	5.8
423.06979	7.5
425.08737	28.4
451.10303	14.2
577.13940	7.3
577.21326	3.7
577.29004	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	577.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23806	1.1
57.03452	12.4
59.01371	1.2
74.29997	1.2
80.50253	1.0
81.03449	2.5
82.09208	1.3
83.01392	4.1
90.04390	1.1
92.71358	1.0
93.03453	2.3
95.05109	1.2
95.48928	1.1
97.02930	1.9
108.02162	1.8
109.02948	20.4
121.03006	2.3
122.03780	1.6
123.04533	13.7
125.02444	100.0
128.92140	1.3
131.05066	1.9
133.02940	3.1
135.04552	2.0
137.02448	15.5
139.04005	4.3
143.85243	1.4
145.02992	1.9
149.02437	5.9
150.03209	1.5
151.04005	11.9
152.33545	1.2
159.04552	2.6
160.05249	1.6
161.02426	26.7
161.03705	2.1
161.06093	3.8
162.03157	2.4
163.00395	2.5
163.04048	2.9
164.01140	4.8
165.01929	6.7
167.03448	2.8
173.06081	1.5
174.03291	1.6
175.04022	9.8
177.01987	9.6
179.03487	3.5
185.06165	1.5
187.03967	7.0
188.04736	5.1
189.01929	1.6
189.05556	1.4
191.10805	1.3
199.03993	1.6
201.05545	3.3
203.07159	11.3
205.01489	2.6
205.05032	7.2
215.03674	1.7
217.04918	1.6
221.08003	1.6
227.03575	2.1
227.07089	2.0
228.04329	2.0
229.05093	3.9
243.02933	3.4
244.56131	1.2
245.04507	5.8
245.08142	14.1
253.10710	1.9
255.02960	8.6
256.03665	5.8
257.04547	1.7
269.04486	2.7
273.03967	3.9
281.04401	2.3
283.02386	1.9
285.04041	3.9
287.05670	7.0
289.07178	63.0
299.05533	6.2
311.07407	1.2
339.08667	4.1
381.09711	2.7
407.07690	61.0
408.07892	2.4
409.31155	1.2
415.15656	1.6
425.08728	23.9
451.10275	15.4
559.12256	1.5
577.13470	5.0
577.21649	1.6
603.81165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.9
59.01372	2.5
69.30544	4.0
71.01380	2.7
75.30237	0.7
81.03471	2.4
83.01376	5.2
85.02936	0.8
89.02420	1.1
93.03462	2.0
95.05026	3.4
97.02961	4.0
98.85862	0.8
99.04530	0.8
101.02460	1.4
107.05018	1.4
108.02152	1.3
109.02952	19.3
111.04507	1.1
113.02498	1.1
117.03448	1.0
121.02957	3.4
122.03760	2.1
123.04522	14.2
125.02444	100.0
126.02782	1.0
133.03003	4.2
135.04509	2.3
137.02443	19.5
139.04019	4.1
145.02922	0.9
146.03714	0.9
147.04582	0.9
149.02423	5.0
150.03139	1.3
151.04001	14.4
159.04491	2.9
161.02437	27.0
161.06009	3.7
162.03172	2.1
163.00340	1.4
163.03989	3.6
164.01134	4.2
165.01906	4.9
167.03453	2.7
173.06046	1.1
175.04010	11.0
175.07631	2.0
176.01184	0.9
177.01907	7.8
177.05571	1.6
179.03455	4.4
183.04555	0.9
187.03975	6.9
188.04759	3.4
189.01868	1.2
193.04959	0.9
199.03976	1.9
201.05551	2.1
202.06348	1.6
203.03442	1.5
203.07115	9.0
205.01399	2.4
205.05067	7.1
211.04013	1.5
213.05579	1.3
215.03516	1.6
217.05037	2.0
219.02927	0.8
219.06577	1.1
221.08177	1.7
222.89301	0.9
227.03496	3.2
227.07095	1.4
228.04201	1.0
229.05026	3.7
231.03081	0.9
243.02893	6.2
245.04555	6.4
245.08186	11.1
247.06078	2.4
253.05083	1.2
255.02945	13.4
256.03696	5.7
257.04535	1.6
261.03799	0.9
269.04593	2.4
271.06073	1.5
273.04141	4.6
281.04532	2.8
283.02505	3.9
285.03894	2.7
287.05609	9.4
289.07166	63.4
290.07440	1.3
297.04166	2.0
297.07425	0.9
299.05594	6.3
305.06607	4.4
329.06702	1.6
339.08502	3.9
381.09793	2.5
407.07697	56.9
409.09686	1.1
415.15723	1.3
423.07297	9.9
425.08829	21.7
426.08771	1.0
451.10327	15.3
559.12213	1.6
577.13348	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	577.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.7
59.01382	7.5
60.99315	1.9
61.98832	3.7
64.70788	0.7
64.95871	0.7
69.06771	1.6
69.07185	3.7
71.01379	6.8
71.09344	0.7
72.99303	1.0
73.02940	2.4
76.12646	0.9
82.95405	2.7
83.01377	1.5
85.02942	2.9
88.68704	0.6
88.98806	13.2
89.02447	3.7
89.99123	1.2
90.99220	2.1
96.96022	4.2
99.00843	1.1
100.56438	0.8
101.02434	4.1
108.02195	0.9
109.03004	0.9
113.02454	3.7
114.97187	0.7
119.03536	0.8
121.02950	1.0
123.04536	0.9
124.01614	0.8
124.11050	0.7
125.02460	7.7
134.03722	1.3
136.01617	0.9
137.02435	2.5
138.03300	1.1
141.40540	0.7
143.03474	1.0
151.00258	0.9
161.02449	3.0
161.04553	2.2
162.03305	0.9
164.01135	7.5
169.01402	3.5
177.01854	1.9
178.99844	2.9
179.05675	1.0
190.02707	2.4
192.00641	100.0
193.01289	3.2
194.02156	2.0
205.01405	1.6
206.02106	1.8
207.02980	65.3
208.03304	1.1
222.01656	1.2
234.01631	6.0
238.12091	11.4
248.11365	0.8
249.03972	5.4
253.14427	6.3
287.05594	0.9
331.99426	0.8
415.19443	2.6
415.23709	2.0
475.53726	0.9
503.12073	2.1
562.13214	2.4
577.15051	7.8
577.28784	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	577.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.6
59.01379	100.0
59.55210	2.1
60.80910	2.6
61.98806	2.7
68.99547	12.7
69.03449	2.6
69.27049	9.5
69.27451	3.3
69.73101	2.2
71.01373	28.2
72.99308	5.5
73.02943	5.6
75.00878	21.4
85.02953	23.5
87.00884	6.9
89.02441	14.4
95.01387	8.3
96.96014	25.9
98.22680	4.7
99.00867	15.6
101.02447	10.4
103.00346	3.4
111.00839	3.5
112.98592	12.4
113.02452	32.2
115.00402	4.4
117.01941	4.3
119.03561	3.4
125.02490	3.1
135.11816	9.6
137.94646	2.2
142.14694	2.6
157.01480	3.3
161.04544	2.6
175.02457	2.6
177.01976	2.6
179.10805	39.8
192.00652	6.7
193.01445	3.9
207.03006	4.9
229.28574	2.2
249.06116	31.2
262.96414	3.7
267.07251	18.6
276.90692	2.6
374.70566	3.0
429.17581	86.3
441.01205	16.8
463.08820	10.8
473.16602	33.4
491.17398	6.9
496.16794	4.1
533.18744	83.9
533.26904	4.4
577.04388	3.8
577.28394	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	577.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.0
61.98816	0.7
69.03446	0.4
69.61414	0.4
69.61755	1.4
71.01379	3.7
72.99271	0.6
73.02560	0.4
73.02942	6.2
75.00871	0.4
78.95882	0.6
83.01391	1.7
85.02947	1.2
88.98791	0.4
89.02413	0.8
93.03469	1.1
96.96004	3.6
101.02439	2.9
108.02166	1.6
109.02959	0.5
110.27276	0.4
111.00884	0.4
113.02457	1.3
119.03509	0.4
120.99644	1.3
121.02956	12.8
123.04522	2.5
123.14668	0.4
125.02446	2.4
135.04529	1.9
139.04034	0.4
143.03532	0.9
145.02950	2.0
147.04523	2.4
149.06065	0.8
151.00421	0.5
152.99606	0.7
153.01926	0.6
161.02426	0.5
162.06874	0.7
169.01457	2.1
175.04192	0.3
175.07666	0.5
177.05623	1.1
192.00604	1.6
209.05978	0.6
211.07658	0.5
211.13383	2.0
225.05562	1.1
225.09273	1.1
226.06406	0.8
227.07074	0.8
235.07495	0.4
237.05530	2.0
237.07741	1.2
238.06352	0.5
239.07098	1.9
240.04280	1.3
241.05057	1.4
241.08760	1.4
251.07146	1.7
252.04292	0.5
252.07910	1.4
253.04968	2.0
253.08748	1.7
254.05830	1.5
255.06606	5.3
256.07257	0.7
257.08273	0.4
263.07205	0.5
264.07877	0.9
265.04999	0.6
265.08655	1.0
266.05817	0.7
267.06635	10.0
267.09830	0.8
268.07336	5.7
269.08157	23.1
270.08813	1.0
279.06357	0.6
280.07352	4.3
281.08197	7.3
282.09073	0.6
283.09750	16.1
284.10504	6.1
285.11002	0.5
294.09262	0.5
295.06192	1.0
295.09653	6.7
296.07413	0.5
296.10489	3.2
299.09479	0.7
299.12869	1.6
307.06329	0.7
310.08545	1.5
311.09235	14.6
312.09787	0.8
322.08319	0.9
323.09149	1.3
325.07147	1.2
325.10812	2.1
328.09558	7.0
337.10861	1.6
339.08661	1.3
340.09491	18.6
341.09787	0.5
342.10931	0.8
343.11838	100.0
344.12244	2.1
355.11847	54.8
356.12274	1.6
357.13449	3.2
367.12024	0.7
369.13232	0.6
373.12918	12.0
385.12985	6.5
397.12863	4.3
415.14032	1.0
457.20801	1.0
559.21985	1.3
577.30511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87722	0.6
57.03442	0.6
59.01375	2.5
61.98822	2.3
66.58231	0.5
68.99565	0.8
69.30695	2.6
71.01357	1.3
73.02973	0.6
75.04103	0.5
78.91888	2.3
89.02431	0.8
96.96010	3.1
97.02947	0.5
99.00884	0.5
101.02415	1.7
108.02139	0.9
109.02946	0.6
111.08158	1.0
112.98561	0.6
113.02400	0.7
121.02957	0.9
123.04535	1.1
124.01617	0.9
125.02435	2.9
126.90408	1.0
133.02927	0.9
135.88515	0.5
136.01649	1.5
137.02454	1.0
138.03264	1.4
146.03687	0.5
146.70023	0.5
147.00871	0.5
147.04494	1.0
148.01633	0.7
149.02448	1.6
150.03146	0.6
151.03984	0.9
152.01175	1.1
153.01872	0.7
161.02429	6.4
162.03224	4.7
164.01160	6.9
165.01883	1.1
166.02722	3.0
167.03482	1.0
168.00670	0.8
176.01224	0.5
177.01941	2.7
178.02699	1.9
178.99844	2.0
185.07175	5.3
187.04086	0.5
189.01965	1.4
190.02713	9.6
190.99879	0.8
191.03387	1.3
192.00639	100.0
193.01405	29.7
194.02184	14.7
195.02884	0.6
205.01398	7.6
205.05032	0.8
206.02180	7.5
207.02974	62.7
208.03429	0.7
209.04572	0.9
209.11870	0.7
220.00137	2.0
220.03658	0.7
221.00880	2.9
222.01663	6.7
232.03754	3.9
234.01689	29.8
235.02455	2.4
237.04088	4.7
242.09396	2.3
249.01402	1.2
249.04027	23.5
250.04596	0.8
267.15875	1.9
276.02664	0.8
291.05112	4.8
294.03799	4.3
309.06140	34.0
310.06781	0.6
312.04831	6.6
313.05048	0.7
327.07211	25.7
371.15198	2.0
377.19525	0.6
407.09760	1.8
415.14209	3.7
531.27942	2.5
533.13446	0.6
543.24628	0.7
556.34741	0.6
562.20459	3.0
577.22858	35.5
578.23090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56790	70.8
52.83492	70.3
61.98825	100.0
65.20325	73.9
71.43646	68.0
73.59080	70.5
73.88631	61.9
274.22534	67.3
383.65329	82.2
434.91486	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20654	11.3
57.32298	12.8
59.01363	24.8
61.98829	100.0
66.83848	11.4
69.18805	51.6
71.01389	16.9
73.02936	14.3
73.08702	11.5
73.59972	13.7
89.02386	17.1
91.85344	11.2
93.61898	12.7
101.02456	13.8
128.95088	12.5
146.02502	11.7
161.04744	15.1
164.50334	13.0
167.30933	11.9
174.80714	12.6
201.89391	12.4
253.69705	14.4
269.25894	11.9
285.15240	13.2
350.17206	12.7
531.27594	18.2
541.26550	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98835	6.4
63.96231	1.0
69.03452	0.7
70.97542	0.3
71.01374	6.1
73.02941	1.9
78.98590	5.0
79.95732	9.2
80.96513	60.9
81.03451	0.7
85.02938	2.4
87.00882	2.7
94.98085	14.5
96.95998	0.9
97.02935	1.3
101.02436	2.2
106.98080	2.8
113.02444	0.5
121.02976	0.9
122.97573	4.6
125.02455	3.3
127.03989	0.6
134.97595	4.2
136.99146	1.4
146.97560	0.5
148.99130	6.0
152.98630	5.7
163.04004	0.4
164.04735	0.5
164.98633	9.0
167.00177	0.5
179.00287	0.4
182.99672	2.2
193.04927	0.6
206.99707	2.3
225.00728	15.8
229.38506	0.4
243.01767	1.3
277.21805	1.9
279.23367	2.1
299.04440	3.3
314.53253	0.4
318.48322	0.3
377.34360	0.4
479.24728	0.4
480.25067	1.0
504.31284	0.6
517.13470	0.4
577.26782	100.0
578.27094	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50939	0.4
59.01374	1.9
61.98826	18.8
63.96238	1.5
67.59367	0.4
69.03437	0.7
70.40820	1.0
71.01373	6.7
73.02941	1.4
78.95906	1.4
78.98586	5.5
79.95734	10.9
80.96513	65.0
85.02943	3.2
87.00858	2.5
94.98083	15.8
96.95992	1.2
97.02950	1.8
101.02423	2.7
106.98089	3.3
122.97578	2.5
125.02446	3.1
127.04007	0.8
134.97566	5.0
136.99109	1.7
146.80446	0.5
146.97557	0.4
148.99147	5.5
152.98596	5.7
164.98630	11.8
167.00230	0.5
188.98570	0.6
200.60294	0.5
206.99667	2.7
220.06021	0.5
224.06850	0.5
225.00728	14.3
277.21689	1.4
279.23251	3.3
299.04465	2.7
504.31094	2.9
577.26819	100.0
578.27222	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	577.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02447	0.8
57.03434	2.9
59.01378	46.7
61.98832	6.9
68.34398	0.8
69.03452	1.2
69.15475	5.3
71.01376	11.6
72.99300	1.3
73.02930	5.5
82.95390	1.7
83.01389	3.4
85.02933	4.7
87.00865	3.1
89.02450	4.1
95.01366	1.5
96.96014	3.5
97.02957	1.6
99.00898	1.1
101.02446	12.3
109.02940	2.3
113.02418	4.2
116.92831	1.0
121.02958	1.9
123.04530	1.2
124.01701	2.0
125.02446	15.9
125.09729	4.0
126.02781	1.2
131.03471	1.3
137.02440	2.1
145.02917	1.1
149.02518	1.4
151.04002	1.7
152.58118	0.9
155.10680	1.1
157.12378	1.2
166.99809	1.1
167.03514	1.4
169.01419	20.0
169.02771	1.4
170.01817	1.0
171.10286	7.0
179.03532	1.3
185.11790	1.2
190.02692	1.0
192.00621	5.6
193.01399	3.2
203.07187	1.3
205.04999	2.0
207.03000	3.6
222.01500	1.2
234.01544	1.4
245.08168	2.1
255.06932	0.9
258.36017	0.9
271.06110	1.0
281.13940	3.6
289.07175	8.0
309.06216	1.2
311.22229	4.8
327.07297	2.5
329.23334	26.7
371.09741	1.2
371.24850	0.9
373.25781	2.1
387.14548	10.7
388.14764	1.2
473.27557	8.0
491.28601	29.3
492.29126	1.2
501.25354	1.2
517.30225	1.6
531.28070	1.5
533.29645	100.0
534.30225	3.3
535.31494	1.9
539.15472	8.6
541.16455	1.8
577.24219	3.2
577.32404	29.1
578.32269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75060	1.5
54.24087	1.1
59.01379	29.2
61.98821	5.6
71.01388	9.6
73.02949	4.4
81.28072	1.1
83.01390	1.3
85.02943	4.2
87.00846	1.7
89.02429	4.4
95.01382	2.0
96.95992	5.8
97.06584	1.8
99.00900	1.9
101.02426	7.0
109.02880	1.5
113.02416	3.8
116.92840	3.4
119.03521	1.8
121.03040	1.5
123.08129	1.5
124.01660	2.2
125.02432	5.9
125.09658	1.7
129.40236	1.3
137.02498	1.5
140.34352	1.3
150.26006	1.2
161.02396	3.9
164.01138	2.6
169.01385	1.5
171.10217	7.3
182.41736	1.2
190.02568	1.4
192.00647	36.6
193.01436	12.7
194.02304	6.1
205.01358	3.1
206.02246	2.6
207.02953	21.5
211.13400	2.8
216.43562	1.3
222.01651	2.1
229.14474	1.9
233.73470	1.2
234.01677	10.7
234.13092	1.5
249.04034	6.9
253.09335	2.2
268.96716	1.3
279.20001	1.5
287.05658	1.2
294.03622	2.4
309.06128	8.9
311.05515	2.4
311.22314	2.3
312.04654	1.7
327.07278	7.9
329.23334	24.0
341.23239	5.4
409.11417	3.6
420.15607	1.4
473.27493	8.1
479.08154	4.2
491.28598	22.6
531.27997	4.9
533.29639	100.0
534.30176	4.0
577.14459	1.9
577.22693	7.6
577.30768	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	577.3015
Annotation	Oscillatoxin A
Peak:m/z	Relative Intensity
51.78589	1.3
54.36768	1.0
61.98830	2.3
113.24870	1.2
123.00912	7.6
137.02431	2.7
139.00378	1.6
151.00291	2.2
165.01936	1.9
172.05316	1.4
207.23433	1.0
217.61905	1.1
277.17960	1.7
281.24878	6.4
303.70047	1.2
317.17484	1.4
319.19232	1.7
344.23413	3.6
353.21216	1.9
357.20340	2.2
359.25995	6.0
368.23465	9.1
383.25897	13.3
387.25311	3.8
403.25006	6.3
404.25467	1.9
427.24890	1.8
457.29651	2.9
459.23871	3.9
487.22958	1.5
489.28415	5.9
493.93591	1.2
511.14059	1.6
526.16180	2.2
535.29205	1.7
541.18713	4.9
547.25586	2.1
577.30133	100.0
578.30579	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	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34868	0.7
54.74671	0.8
59.01379	16.0
61.78393	0.9
63.88394	0.7
68.84103	0.8
69.70573	2.9
71.01366	2.2
73.02892	0.8
78.95898	1.1
80.28299	0.8
84.00907	1.0
84.95104	1.8
85.00441	4.7
89.02464	1.9
101.02451	1.9
103.01505	1.9
112.08451	1.1
113.02428	1.1
116.72057	0.7
119.29526	0.8
123.00818	0.8
144.99802	0.7
151.00333	0.8
151.27637	0.7
161.04585	1.1
180.32161	0.7
194.30968	0.7
235.08177	1.1
253.09265	13.2
281.24850	100.0
282.13058	0.8
282.25137	1.7
299.04330	2.0
343.17923	1.0
359.25775	1.2
368.23596	1.0
383.25803	1.3
403.24655	1.2
421.25940	1.2
426.02539	0.9
535.29535	0.9
577.30023	11.2
578.29657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32109	4.3
58.83217	4.7
59.01376	55.9
61.98828	92.6
71.01373	30.6
73.02932	17.0
85.02929	11.4
89.02431	18.4
93.03462	77.7
101.02438	38.2
103.03999	22.8
113.02436	6.9
119.03506	10.6
121.02962	38.0
123.04507	5.6
125.02447	49.5
137.02443	81.4
143.03479	4.5
163.06152	25.5
180.13051	4.9
187.26102	5.4
192.00620	21.1
193.01100	7.2
197.06087	8.8
199.07591	5.7
204.60965	4.9
207.02956	10.3
227.07137	100.0
247.08284	5.5
281.06570	6.5
307.10382	23.1
309.05951	5.7
327.07126	5.2
328.07666	5.7
427.12485	38.2
480.69592	4.8
548.30981	4.8
578.31824	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	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65394	0.2
61.98828	100.0
70.93291	0.2
78.95912	0.7
79.95760	0.2
80.96515	2.0
94.98092	0.4
96.96005	1.0
97.09814	0.2
128.74228	0.2
148.99179	0.2
152.90520	0.2
164.98683	0.3
208.93098	0.4
225.00755	0.4
268.06110	0.3
269.06686	0.4
280.23700	0.3
298.96326	0.7
438.22446	0.6
439.23419	0.3
535.17804	0.4
578.29590	2.5
579.28387	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	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14130	0.7
59.94085	0.7
60.70972	0.7
61.98829	100.0
70.53296	0.6
72.72215	0.6
107.54099	0.6
122.62810	0.7
124.69685	0.7
140.76530	0.8
201.12263	0.8
204.04669	0.6
293.17801	1.1
467.19434	2.7
507.45990	0.7
579.29358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05911	0.8
59.01377	19.5
61.98829	6.0
68.49454	1.1
71.01379	2.1
78.95904	23.3
78.98591	2.7
79.95737	4.9
80.96516	34.5
85.02946	1.6
87.00830	1.6
94.98072	6.0
101.02435	1.1
106.98105	1.7
122.97577	1.8
125.02439	1.6
134.97578	2.0
148.99146	3.5
149.74791	1.0
152.98572	2.5
152.99591	4.0
164.98593	6.0
165.98946	1.0
168.04245	2.2
180.38643	1.0
206.99629	1.1
224.06891	8.2
225.00766	4.8
226.01105	1.4
242.07936	1.8
278.21994	1.3
279.23279	100.0
280.23639	2.1
504.30969	76.1
505.30972	2.8
578.27155	49.7
579.27136	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97922	0.3
59.01379	15.7
59.02602	0.3
69.51057	0.7
69.51449	0.7
78.95905	5.6
100.56110	0.3
128.07024	0.3
130.42125	0.4
132.25932	0.3
140.85100	0.3
152.99580	1.3
168.04301	1.3
224.06902	0.7
225.41426	0.3
242.08000	2.5
251.44173	0.4
261.22278	0.4
279.23282	100.0
280.23627	2.4
504.30978	38.3
505.31271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21469	1.9
57.03425	5.5
59.01375	39.7
61.98830	15.1
69.03453	2.4
71.01374	32.2
71.45761	2.2
73.02937	10.0
74.79613	2.0
82.95428	4.5
83.01385	9.1
85.02946	11.2
89.02441	17.3
95.01367	2.7
96.95996	6.1
97.02969	3.1
101.02442	16.2
103.01495	2.9
106.88863	2.3
108.02170	3.7
113.02449	12.1
116.92826	3.7
119.03480	4.1
125.02450	22.7
127.06054	2.2
131.03496	2.6
133.06451	2.3
137.02443	8.1
151.03989	2.5
152.01146	4.8
161.04512	4.8
164.01131	8.2
165.01895	7.4
167.03520	18.0
169.01341	4.4
172.68776	2.1
173.06042	5.2
174.03180	2.1
175.03983	3.3
177.01935	3.6
179.03496	11.0
179.05528	2.8
183.04465	2.7
187.03999	4.8
188.02583	2.6
189.05547	5.3
191.03560	3.1
201.05492	4.4
203.03506	8.2
204.04245	5.0
205.05072	5.8
207.10310	4.1
211.03984	9.8
213.01894	7.1
215.03528	2.4
217.04979	10.6
227.03467	9.6
228.04219	2.8
229.05063	6.1
231.03000	16.9
232.03705	8.6
233.04539	13.8
239.03407	6.4
241.05154	4.9
243.02921	4.3
245.04553	12.1
246.05382	2.2
247.06036	3.8
249.15082	3.1
255.03044	2.4
256.03818	2.6
257.04526	47.5
258.01578	4.9
259.02423	3.6
260.03107	2.3
261.03918	11.6
269.04578	4.2
273.04050	26.9
275.05588	7.8
279.03003	3.9
285.04047	20.2
297.04126	5.2
301.03406	4.7
303.05023	11.0
315.18039	3.3
323.09607	2.6
331.17627	7.9
399.07120	2.4
423.07272	6.0
439.06854	2.5
441.08228	100.0
442.08569	2.9
453.08215	2.7
493.22705	6.5
519.22760	4.1
531.28418	4.5
532.28333	6.0
535.23871	2.7
561.10388	2.7
579.11493	27.5
579.26361	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	579.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52122	0.8
54.14628	0.8
55.34890	0.8
57.03431	3.6
59.01378	2.2
73.03502	0.8
81.03455	3.1
83.01373	4.3
89.02436	1.4
93.03465	1.3
95.01372	1.2
95.05025	4.0
96.05340	0.8
96.96028	2.5
97.02941	5.4
97.63060	0.8
109.02950	21.8
111.00887	3.0
121.02965	3.6
122.03716	1.1
123.04517	14.0
123.77262	0.7
125.02438	18.7
133.02892	0.9
135.04517	2.5
136.71487	0.8
137.02438	12.4
137.74396	0.8
137.87109	0.8
138.03232	0.9
139.03984	2.2
143.66827	0.9
146.03621	1.0
149.02385	4.4
150.03123	1.1
151.03990	11.4
157.06622	0.8
159.04472	3.0
160.05304	1.5
161.02466	1.4
161.06065	3.8
162.03151	2.1
163.03979	0.9
164.01144	3.2
165.01910	4.2
167.03482	4.6
169.01390	1.4
174.03291	1.0
175.03989	2.5
175.07663	2.5
177.01877	1.5
179.03491	6.7
187.04005	3.7
188.04724	2.9
202.06363	2.5
203.07137	12.7
203.82018	0.8
204.21980	0.9
205.05035	7.3
217.05038	1.0
221.08130	3.5
227.07085	2.4
230.05646	1.5
237.11432	1.6
241.21478	0.9
245.05695	1.0
245.08159	15.1
252.13466	1.2
253.10794	3.7
253.13997	1.5
254.14618	2.0
289.07153	100.0
290.07404	2.0
297.11182	1.2
416.16284	1.2
417.20169	0.9
522.49432	0.9
579.11005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
68.33749	0.7
69.03428	0.9
69.10442	0.8
69.28958	1.7
69.29363	2.4
71.01382	4.0
73.02944	1.7
81.53178	0.8
85.02934	0.9
89.02460	1.1
91.67875	0.8
95.01405	0.7
99.00874	1.4
101.02425	2.6
108.02171	69.5
109.02956	25.0
110.03273	0.7
117.25224	0.7
121.02986	1.1
123.00894	1.0
123.04496	2.3
125.02434	5.1
131.03520	1.2
133.02956	1.1
135.04333	0.8
137.02419	3.6
151.03986	4.5
152.01149	95.8
153.01857	2.0
163.04027	4.8
165.01904	1.8
167.03539	2.2
177.05548	1.7
178.06348	7.5
179.03484	1.0
193.08669	3.1
194.05838	1.5
195.10251	2.3
205.05020	1.1
237.07643	5.1
239.05588	3.5
240.06332	1.3
241.07147	12.3
241.74823	1.0
244.33307	0.7
253.07178	3.2
257.04291	0.8
305.06006	0.8
373.11411	1.7
409.08194	1.2
416.13348	1.3
417.09860	1.3
417.14325	2.0
423.07443	1.0
440.67767	0.8
579.15594	100.0
580.15881	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01376	9.6
59.04111	0.8
61.98821	6.6
63.62357	0.8
69.03449	1.1
71.01379	4.2
73.02931	1.9
75.00875	1.2
81.03445	2.0
82.95409	3.9
83.01382	3.3
84.95110	3.9
85.02950	2.6
87.00863	9.4
89.02443	2.4
93.03451	5.2
95.01380	1.7
95.05048	1.8
96.96021	2.0
97.02940	1.6
99.00860	1.6
99.04523	1.4
101.02421	1.8
103.24133	0.9
107.05022	1.4
108.16328	0.9
109.02960	3.3
111.00877	1.1
111.04606	1.0
113.02446	3.1
114.93419	3.0
115.93530	0.9
119.04992	4.3
123.04504	7.0
125.02427	7.9
135.04501	2.9
137.02425	4.5
137.06093	3.2
139.04024	2.7
147.04430	2.1
149.02420	2.0
149.06081	1.8
151.03972	4.1
152.01222	1.8
152.04803	1.2
153.01999	1.0
159.04445	0.8
161.04530	1.9
161.05981	1.2
163.04016	2.6
165.01941	2.1
165.05540	2.6
166.02649	1.0
167.03482	13.6
169.01436	1.3
175.03931	1.2
177.01971	3.0
177.05562	2.3
179.03496	4.8
180.04250	3.9
189.05547	4.5
190.02768	1.2
191.03506	2.6
192.00652	7.6
193.01590	1.7
193.05083	4.6
193.12289	5.3
194.05838	1.1
194.12703	4.1
198.80693	0.9
203.03491	1.9
205.05078	3.1
206.02234	1.1
207.02989	7.7
209.04536	9.8
217.05037	3.0
218.02219	1.1
219.02994	3.5
219.06509	2.1
221.04524	6.7
227.03716	0.9
229.04909	1.3
231.03008	1.7
233.04457	5.5
234.01791	1.6
235.06061	2.2
245.04538	2.8
247.06151	1.1
257.04559	3.4
261.04034	2.5
263.05545	7.2
273.04013	1.2
275.05591	5.3
285.04089	1.6
285.07498	1.2
287.05533	1.3
299.09094	1.1
300.09991	1.7
305.06851	1.1
315.08707	13.6
327.08755	8.9
335.07547	1.5
339.08728	2.1
341.10202	3.1
353.09229	1.4
354.07901	1.0
357.09738	7.7
367.08069	1.6
369.09708	9.9
371.17203	1.2
381.09689	4.8
417.25128	1.3
431.18857	2.9
441.07266	4.6
447.09280	5.6
459.12939	100.0
460.13443	3.3
475.17606	1.3
489.14169	7.0
491.19522	1.3
535.19763	4.3
579.17255	37.0
579.27478	1.3
579.29999	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	579.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
59.01376	79.5
67.01884	1.5
68.99815	2.4
71.01383	16.6
72.99300	5.1
73.02943	2.4
75.00871	21.2
85.02949	21.4
87.00884	5.9
89.02439	4.0
95.01392	4.4
98.22660	4.2
99.00877	11.3
103.00370	3.6
111.00897	1.8
113.02444	23.7
115.00376	2.0
117.01930	2.7
129.01929	2.2
145.69809	1.4
148.31812	1.6
149.88139	1.6
175.02458	3.3
181.12346	38.9
225.11278	3.6
231.05031	2.7
249.06116	23.4
253.17081	1.3
299.14948	1.7
367.47159	1.4
413.18137	2.5
431.19202	96.1
432.19553	2.8
457.17117	1.9
475.18130	42.9
476.18576	3.6
493.19272	7.4
515.98743	1.5
535.20276	100.0
536.20862	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	579.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44412	0.9
57.03439	1.6
59.01383	11.6
71.01379	6.8
85.02946	1.1
89.02442	9.4
95.05003	1.3
97.02971	0.9
99.04476	1.2
101.02462	2.6
104.98301	1.1
108.02208	1.4
109.02940	3.1
111.00892	1.6
113.02451	2.1
119.03532	4.0
123.04578	1.3
125.02448	6.2
135.04550	1.1
137.02449	18.0
137.06119	1.9
138.03247	1.1
139.00366	3.0
149.06111	1.5
152.01108	2.1
153.01935	2.7
157.39854	0.9
161.02522	1.3
161.04701	1.2
161.06117	1.9
165.01965	4.3
165.05617	1.3
167.03532	5.3
176.04770	1.6
177.05565	16.6
178.06348	100.0
179.05595	5.2
179.07138	12.7
191.07181	1.5
193.08681	37.7
194.05801	16.5
195.06442	1.5
195.10272	11.5
205.05037	2.4
221.04552	2.0
223.06126	9.0
237.07671	67.4
238.04785	8.8
239.05579	44.6
239.09335	1.9
240.06335	12.3
253.07141	25.8
254.07906	3.7
255.08768	2.3
257.04636	0.9
289.07300	1.2
290.07700	1.0
297.03754	1.1
357.15588	4.0
395.07858	1.1
399.13052	1.3
409.08347	1.4
416.13174	11.5
417.14038	42.0
423.07382	2.9
579.19464	41.6
580.19458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63848	0.4
59.01363	1.3
60.55254	0.4
60.76663	0.4
66.97099	0.4
78.59280	0.4
97.06588	0.4
101.02430	0.7
103.96038	0.4
107.04998	0.4
109.02895	0.5
110.03744	0.4
118.62071	0.4
123.04527	2.3
125.02448	0.7
135.04486	0.4
137.06082	0.5
137.09718	0.6
138.03214	3.9
139.04008	2.7
147.08176	0.6
149.09776	0.6
150.03169	0.8
151.03979	1.7
152.04784	5.3
153.01970	2.1
163.07648	5.6
164.04790	4.6
165.09178	1.8
166.02686	0.7
167.03532	0.8
173.06071	1.3
175.07664	3.3
176.04752	0.7
177.05537	1.9
177.09253	0.8
178.06340	1.6
181.08682	2.1
191.07132	31.4
192.07559	1.0
193.08684	29.1
194.09068	0.7
195.10275	1.0
207.06570	0.8
209.08206	2.8
221.08389	0.4
225.07741	1.0
226.58073	0.4
237.07668	31.8
238.08109	0.8
239.05591	0.7
239.09254	0.8
253.07156	100.0
254.07816	7.1
267.08667	1.3
399.12854	1.3
416.13196	23.5
417.13934	2.2
530.76965	0.4
579.19305	32.2
580.19910	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.9
61.06188	1.2
61.98826	5.2
66.51485	1.2
66.90582	1.4
69.32088	7.5
71.01376	13.9
72.99304	1.6
73.02950	5.4
75.00856	2.0
79.83611	1.3
81.03440	1.6
82.95450	1.4
83.01424	1.7
85.02953	6.6
88.06150	1.3
88.98826	4.9
89.02444	8.5
95.01409	2.3
96.96008	2.7
98.22692	2.4
99.00862	2.1
101.02438	8.2
109.02941	3.2
111.04527	2.0
113.02461	8.2
119.03542	2.9
121.02969	11.6
123.00915	2.1
123.04520	1.7
125.02457	14.0
137.02420	11.5
137.06084	1.6
149.02440	2.3
151.00346	14.8
151.03975	4.1
152.01155	2.9
152.04822	3.0
153.01933	3.3
158.69980	1.6
161.02480	3.9
161.04550	2.4
166.02705	52.9
167.03484	6.5
168.00697	1.6
169.01436	5.1
171.25903	1.4
175.04022	2.1
177.01949	5.9
179.05664	2.2
181.05060	68.8
181.12332	3.1
191.03474	1.8
205.08597	2.0
207.06723	1.6
209.04524	9.3
248.84843	1.6
249.58806	1.7
253.10692	4.4
264.70871	1.5
267.07205	2.0
269.04730	1.7
271.02643	1.6
271.06033	2.3
289.06979	2.8
300.02557	3.0
301.03516	1.9
387.10788	16.4
402.13107	8.5
417.15552	100.0
417.24814	5.5
418.15979	4.4
431.19077	6.1
475.18069	2.8
535.20251	4.9
579.13702	8.3
579.22021	5.0
579.30328	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	579.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18267	1.9
59.01375	3.3
61.98821	4.1
62.01915	1.8
68.61315	1.7
69.40060	8.3
71.01384	3.5
78.95908	2.8
84.19975	2.0
93.41760	1.9
123.00827	2.7
124.01658	23.5
125.02436	7.5
136.01662	5.1
137.02434	4.1
138.03210	29.2
140.01141	1.8
152.01144	22.9
153.01903	5.3
154.99927	2.5
166.02716	19.2
167.03462	2.1
168.00658	6.8
169.01515	2.0
178.02740	5.0
180.00650	44.1
181.05121	2.7
182.99376	2.2
183.02998	5.9
192.00671	3.6
193.01460	7.8
194.02159	3.8
194.99321	19.7
195.02986	12.7
196.03755	8.5
205.01361	3.3
209.01036	2.8
210.01712	3.3
222.01758	9.9
225.04047	15.4
234.01718	6.1
237.04054	10.1
249.04042	6.1
251.16345	2.1
255.05121	7.9
312.04828	7.5
327.07208	36.7
391.06619	2.2
409.73108	2.2
456.45908	2.1
488.31100	1.9
564.21814	4.4
579.24512	100.0
580.24548	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.4
61.98828	9.5
63.22811	3.0
69.10333	5.4
69.10745	14.0
71.01380	19.3
73.02948	3.3
78.95878	3.0
85.02942	7.3
89.02438	5.1
101.02427	12.4
112.56936	3.3
113.02444	10.5
116.58076	2.8
120.84930	3.2
123.04465	3.1
126.19903	3.1
128.07835	3.8
160.06691	3.0
161.04521	6.6
173.73360	2.9
195.54831	2.9
224.69460	3.3
229.94843	3.1
234.67365	3.4
275.83417	3.0
381.22510	3.4
382.60614	3.5
543.28058	100.0
544.28577	4.8
579.25604	68.7
580.25940	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	579.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	19.6
61.98829	10.1
71.01373	15.4
73.02936	7.6
74.76552	3.8
89.02441	5.7
97.45396	4.2
101.02431	15.2
113.02426	10.2
152.07036	4.0
181.01448	4.6
216.48755	4.3
343.38492	4.4
381.22879	9.4
543.28058	93.2
579.25757	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	579.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14653	64.8
59.01375	65.8
61.98817	93.9
62.31430	55.3
62.64833	57.6
70.63880	100.0
77.17722	55.6
82.95432	62.0
100.29655	57.4
101.48107	58.2
120.51897	56.1
154.59659	66.1
160.07039	62.6
216.87170	57.6
287.20480	61.3
307.19196	97.8
456.46344	70.5
579.25446	65.6
589.45184	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08577	33.5
61.98826	100.0
74.09690	32.8
78.95869	61.3
98.21855	79.7
112.13858	40.6
116.92727	37.0
117.16632	36.9
175.99234	33.9
209.98563	34.5
246.08337	36.7
253.09448	39.6
307.19107	53.9
310.99545	42.5
462.83966	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	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02700	13.0
59.01380	20.3
61.98825	100.0
66.08273	13.4
68.49733	13.7
69.09480	46.9
69.09898	54.8
95.91776	14.0
111.92595	15.7
117.58965	15.2
119.43585	12.9
119.52506	13.9
132.88657	14.0
181.75987	13.9
209.21515	15.7
225.50049	14.5
233.15703	18.8
253.09352	19.1
289.17914	29.2
294.45914	17.0
307.18997	34.1
367.92334	17.6
579.25195	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
95.76478	54.6
134.43919	55.6
172.09741	45.2
209.01028	53.3
214.72620	54.3
283.99582	46.2
296.05280	52.3
477.42319	56.1
507.42401	57.1
543.27808	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71494	0.7
59.01374	1.3
61.98826	4.6
62.56224	0.6
63.96236	1.2
71.01377	7.1
71.43497	0.8
73.02935	2.2
75.47791	0.7
77.58184	0.7
78.95885	1.6
78.98584	5.7
79.95732	11.2
80.96513	61.7
81.03450	0.9
85.02938	2.2
87.00882	2.8
94.98081	16.2
96.96011	14.4
97.02936	1.4
101.02431	3.0
106.98109	3.7
112.98584	0.8
122.97594	3.9
125.02423	3.3
127.78674	0.6
131.78323	0.6
134.97585	4.1
136.99176	1.3
146.97575	0.7
148.99167	5.1
152.98611	6.2
164.98627	9.7
182.99615	1.7
206.99675	2.3
211.79280	0.6
225.00743	18.8
239.73741	0.7
243.01770	1.6
279.23267	2.8
298.96301	1.1
299.04398	3.5
383.01129	0.6
390.12643	0.8
439.71265	0.7
467.18927	1.3
475.75861	0.7
506.33536	0.8
565.58234	0.7
579.28430	100.0
580.28607	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79173	0.5
59.01368	1.0
61.98829	33.8
63.96236	1.7
70.75217	0.6
70.75578	0.9
71.01379	6.9
73.02952	1.3
74.59124	0.5
78.95892	1.6
78.98598	5.6
79.95733	10.4
80.96516	66.9
81.03423	0.8
83.01392	0.6
85.02959	2.7
87.00857	1.8
91.45662	0.5
94.98093	13.4
96.96011	27.0
97.02940	1.6
97.73888	0.6
99.00875	0.6
101.02430	2.2
106.98088	3.2
108.19554	0.5
122.97562	3.3
125.02477	3.0
127.04011	0.6
134.97601	3.4
136.99133	1.8
148.99139	4.8
152.98604	5.7
152.99583	0.7
164.98633	10.7
171.00580	0.6
206.99583	1.6
225.00757	14.1
245.04300	1.0
253.21667	0.8
279.23270	1.7
299.04443	2.8
337.33826	0.5
346.71649	0.5
411.62964	0.6
481.25427	1.7
579.28400	100.0
580.28461	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	579.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.40160	1.9
57.03445	3.7
59.01377	93.0
61.98824	5.6
71.01380	28.3
71.44643	1.9
72.99310	7.9
73.02950	13.4
83.01385	5.3
85.02937	14.9
87.00896	3.1
87.04522	2.2
88.98793	4.6
89.02459	5.3
93.03456	2.7
95.01375	3.7
96.95996	7.6
99.00865	2.5
101.02437	18.8
107.05002	1.8
109.02950	8.5
111.00894	2.8
113.02447	14.8
115.66005	1.9
116.92886	2.1
125.02410	9.8
125.09706	3.2
137.02444	4.6
139.00383	5.2
153.01941	9.7
153.09236	4.6
161.02438	2.6
161.04585	3.7
169.01433	6.0
173.11801	5.3
192.00572	3.0
193.01355	4.9
202.12190	3.4
203.03673	2.0
207.02841	1.8
211.13402	3.0
234.01834	2.4
234.12547	3.7
331.24991	15.5
375.27478	5.9
389.23502	2.5
450.02307	1.8
455.83264	2.3
461.23999	18.2
462.23788	1.9
464.22162	2.0
473.24115	3.0
475.29111	100.0
493.30167	32.2
501.45068	2.2
517.29504	2.3
519.31860	6.2
535.30975	9.0
537.32776	2.5
540.51538	2.0
551.18262	2.0
579.13507	5.7
579.22028	2.1
579.25275	2.4
579.33936	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	579.3323
Annotation	Manzamine X
Peak:m/z	Relative Intensity
52.34059	0.6
57.03450	2.0
58.42998	0.6
58.70732	0.6
61.98836	0.7
65.03945	0.9
67.01884	0.9
67.19383	0.5
67.69660	0.6
69.75388	2.0
71.01385	0.7
78.95939	0.8
78.98599	0.6
79.95762	0.9
80.96511	6.6
94.98130	1.2
95.01405	1.8
96.96027	0.8
97.02978	1.1
97.06581	4.9
101.08013	0.5
108.02155	3.9
109.02959	13.1
121.02934	1.3
122.03775	0.7
123.00893	1.5
123.04562	1.0
124.01668	8.4
125.02451	5.2
135.04514	3.1
137.02448	10.3
138.03270	1.7
139.04018	1.1
146.03761	1.0
147.04576	0.9
149.02563	0.6
149.06100	1.4
150.03290	2.1
151.03990	4.0
152.01160	0.6
152.98610	0.7
153.05650	0.7
158.03662	0.8
159.04544	1.8
161.02481	2.3
161.06114	1.1
163.04037	2.3
164.04884	0.9
164.98712	1.2
165.05608	2.4
169.12413	0.7
172.74478	0.6
173.06120	0.9
174.03276	1.2
174.06882	0.8
175.04060	2.7
176.04758	3.1
177.05586	3.2
178.06360	1.2
179.07140	1.0
180.34351	0.6
187.04082	1.5
188.04677	0.8
189.05653	2.5
190.02792	2.2
190.06355	4.2
191.07187	2.6
198.05290	0.8
198.42778	0.6
201.05542	1.0
202.06401	2.0
203.03519	1.0
203.07198	2.6
204.04333	1.1
205.08693	0.7
206.09492	1.0
219.06821	1.5
219.10460	0.8
225.00858	1.6
247.13599	0.6
259.13629	0.8
301.18204	1.6
315.20004	0.8
329.21320	1.0
331.20407	0.7
341.21280	0.9
367.23160	0.6
393.20212	0.6
397.11792	0.7
419.26031	1.4
449.23148	3.8
463.25165	2.5
466.23538	6.1
467.24338	18.0
468.24924	1.3
477.29938	4.7
479.28247	1.4
480.25241	0.9
481.25925	21.9
482.26697	46.6
483.27344	2.2
503.27939	4.6
521.29059	23.0
522.29626	1.0
535.26630	2.9
536.31641	1.3
547.30847	4.6
548.31604	1.0
564.31073	4.5
579.33551	100.0
580.33868	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	579.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36057	4.7
61.84398	5.0
70.67931	8.4
78.97472	5.0
125.58157	5.4
148.05254	5.7
173.06088	6.1
195.17532	5.6
206.42468	5.2
219.17499	17.8
315.23276	87.5
316.23367	6.8
507.41940	11.0
535.41577	100.0
549.39655	36.0
567.40619	19.2
579.40625	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	580.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55068	0.2
61.98829	100.0
67.69348	0.2
69.54069	0.3
70.13593	0.5
73.59454	0.2
120.83734	0.3
125.87341	0.9
141.86797	0.4
142.87637	0.5
148.90987	2.2
160.66826	0.3
162.65460	0.2
165.05573	0.3
176.90515	0.4
178.92046	0.3
183.87900	0.3
184.88715	0.5
192.26265	0.3
196.88731	0.3
250.94157	0.7
285.91098	0.6
379.81149	0.2
459.05185	1.5
494.01825	2.2
495.02679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78954	0.4
59.01371	1.2
61.98828	100.0
70.97976	0.5
71.01412	0.6
82.79987	0.3
85.41672	0.3
96.85407	0.4
96.96024	1.5
101.02468	0.5
125.02457	1.0
126.00935	0.3
161.04340	0.3
324.93362	0.3
336.23547	0.4
492.24747	0.4
499.21591	0.4
517.23340	1.2
580.23749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60745	0.5
61.98829	100.0
69.93148	0.9
79.10436	0.6
79.95756	0.6
80.96515	3.1
94.98125	1.0
121.81398	0.6
145.50414	0.5
173.68138	0.5
193.55743	0.6
216.27875	0.5
220.30016	0.6
225.00771	1.0
281.24915	0.7
307.15286	0.6
563.40222	0.6
581.29834	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89917	0.6
59.21272	0.6
61.98825	100.0
71.41789	0.7
79.35914	0.8
109.58192	0.7
118.39576	0.6
207.99844	0.7
279.16003	1.3
353.91791	0.8
581.30237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.5
61.98829	15.0
62.92652	0.5
63.99249	1.1
70.23206	1.2
78.95908	5.1
80.96499	1.3
84.73232	0.5
91.20161	0.5
101.63569	0.5
122.36519	0.6
136.75171	0.5
152.99533	1.2
168.04216	0.8
224.07002	1.0
242.07915	3.0
271.75027	0.6
281.24847	100.0
282.25189	2.2
506.32504	35.3
507.32849	1.3
580.28534	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	581.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98826	0.3
71.01376	0.6
71.44327	0.1
72.99303	0.1
73.02944	0.2
75.00822	0.1
85.02946	0.3
88.98798	0.4
89.02446	0.8
97.74506	0.1
99.92585	8.5
100.92609	0.1
100.93303	0.2
101.02422	0.2
114.93456	0.2
116.92860	100.0
117.92873	1.5
125.02390	0.2
142.40794	0.2
155.10588	0.1
159.23889	0.1
192.00644	0.3
193.01439	0.5
207.02840	0.1
374.13696	0.3
389.16144	0.6
445.83731	0.1
463.08795	0.7
521.20032	1.2
563.02002	0.2
585.51868	0.1
600.43005	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	581.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16494	0.6
54.73840	0.6
59.01380	3.5
61.74625	0.6
71.01385	2.5
72.73294	0.6
78.51139	0.6
80.55114	0.6
88.98803	1.5
89.02441	1.2
95.01423	0.7
99.92586	8.7
101.02435	0.6
109.02943	0.8
110.54015	0.5
110.82217	0.6
112.73715	0.6
116.92854	100.0
117.92908	1.3
118.48483	0.6
119.04979	0.7
119.74358	0.6
123.54416	0.6
125.02420	1.9
134.58315	0.7
137.02359	0.8
137.46547	0.6
139.04037	0.7
149.02452	0.9
150.03194	2.6
151.00354	0.7
164.04857	1.4
165.05600	2.5
169.01407	1.0
189.41125	0.6
195.06627	2.0
223.06148	3.4
243.02818	0.7
259.02618	0.7
270.01767	0.9
271.02475	2.6
287.02039	1.3
304.38998	0.6
316.02173	10.2
317.02917	2.1
389.16138	1.8
398.94699	0.9
463.08804	12.6
521.20093	3.2
545.00214	6.5
581.23511	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	581.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69132	1.1
59.01370	5.5
71.01380	2.1
75.69248	1.0
85.02942	5.6
87.48023	1.1
92.63983	1.1
95.05020	1.1
96.96016	2.6
97.06576	2.2
98.22797	2.1
99.00857	1.4
101.02466	1.2
101.49026	1.0
106.71788	1.1
109.02919	1.2
111.08126	2.0
117.03476	1.1
118.36470	1.2
121.06612	4.1
123.00883	1.7
123.04511	1.3
123.08168	1.6
124.01655	1.9
125.02428	4.8
131.05029	1.2
133.06589	3.5
137.06090	4.8
139.04118	1.2
139.07634	4.2
140.01132	2.3
141.01938	4.8
149.06071	6.1
151.04077	1.7
153.01915	7.6
154.02687	14.5
154.99892	1.7
155.07132	4.7
159.04414	1.9
165.01973	1.4
165.05580	9.3
166.02681	3.2
167.03493	3.8
167.07152	2.8
169.01469	1.4
175.03981	3.7
177.05559	35.5
179.03513	2.1
181.05063	3.1
188.44040	1.3
193.01408	7.1
193.05061	13.7
194.05806	2.6
195.06616	29.1
199.06137	4.3
209.04483	2.6
211.06085	5.3
219.06700	1.6
221.04494	4.7
227.05579	29.5
237.04207	1.8
238.04755	3.1
239.05592	100.0
240.05901	1.3
255.05078	97.4
256.05847	6.8
267.02979	1.8
313.05649	5.7
380.32941	1.5
401.10840	79.8
403.12250	1.8
418.11057	23.9
419.11893	1.9
581.08386	3.7
581.17163	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	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.3
61.98820	1.7
69.03464	0.4
70.03464	0.3
70.43449	0.4
71.01373	2.8
73.02935	4.1
82.95401	0.4
83.01395	0.4
85.02941	1.2
87.00879	1.0
87.04523	0.5
89.02453	1.8
89.63005	0.3
93.03455	90.5
94.03781	0.7
96.96008	1.8
101.02438	5.0
103.04008	1.9
113.02508	0.5
115.04005	1.0
116.92878	0.7
119.03490	1.0
121.02959	0.6
125.02458	3.4
131.03448	0.8
143.03499	1.1
145.05052	0.7
161.02466	0.6
163.06113	4.9
167.03426	0.3
167.04997	0.5
169.01445	0.7
169.06583	20.7
205.07076	2.0
213.05563	100.0
214.05905	2.1
225.11185	0.3
227.07106	0.9
277.09787	0.3
287.05563	0.5
289.98270	0.3
293.08881	0.5
307.10385	0.5
331.06741	0.5
345.20639	0.4
521.16516	0.9
531.16290	0.4
581.22284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
61.98825	2.1
71.01376	1.7
71.46342	0.9
73.02953	0.8
73.71240	0.7
78.60258	0.7
79.95750	0.9
82.95419	2.0
83.60798	0.7
93.03468	3.0
96.96011	19.2
101.02452	0.9
111.00895	0.9
113.02420	1.2
119.04986	1.0
121.02954	5.6
122.03732	14.7
123.00919	0.9
125.02449	1.6
133.02969	1.9
135.04437	0.9
136.01654	1.9
137.02460	1.4
147.04504	2.2
149.02443	18.4
150.03220	100.0
151.03975	1.7
152.47614	0.8
164.04823	3.0
165.05559	95.7
169.01471	0.9
175.03992	17.0
176.04741	1.8
177.05544	1.2
180.04272	5.4
181.04976	0.8
188.04872	1.7
190.06398	6.7
195.06607	49.9
196.06934	1.0
202.62842	0.8
203.07066	1.4
218.05843	6.2
219.06578	0.7
222.05261	6.0
237.05673	0.8
237.11241	1.2
238.06317	1.9
249.05637	0.9
250.06340	0.8
251.16483	2.5
253.04939	1.0
254.05942	1.3
265.04944	0.9
266.05728	2.7
267.02936	0.9
277.04880	1.4
278.05936	5.2
279.06601	1.9
279.58731	0.9
281.04556	2.8
281.07977	1.6
282.05295	1.3
292.07248	1.6
293.08337	0.9
294.05301	1.7
295.06516	0.9
295.09729	2.2
296.06714	0.7
297.07507	1.2
300.64102	0.7
306.05414	4.8
307.06061	3.9
309.04019	3.5
309.07629	1.9
310.04721	2.7
320.06827	1.8
321.07654	16.1
322.04776	1.5
322.08334	4.3
323.09094	6.8
324.06296	4.9
324.09970	3.3
325.07144	11.2
326.07813	1.1
327.97073	0.8
335.09207	1.7
336.10162	5.9
337.07059	12.0
337.10687	2.3
339.08728	10.1
339.12393	1.4
340.09464	9.0
341.10098	2.4
352.09348	3.1
353.10291	1.8
354.11063	8.2
355.11856	30.6
356.12122	1.2
367.11835	46.8
368.12238	2.5
389.64316	0.8
413.21796	0.9
459.14041	2.1
473.12183	1.5
487.14172	1.3
488.14798	1.9
489.15085	2.1
495.18524	1.2
503.17133	16.5
515.17035	2.6
533.18146	29.5
534.18085	1.6
539.25555	1.2
545.25836	5.8
551.19171	17.9
581.20123	27.5
581.28082	1.2
582.21161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
59.01375	36.9
66.63291	0.7
69.16153	4.4
71.01380	20.1
72.99276	0.8
73.02943	3.8
75.00850	0.8
78.22713	0.9
83.01389	4.7
83.01807	0.9
85.02938	7.6
87.00864	2.9
87.45047	0.7
89.02441	11.7
95.01380	2.2
96.96001	1.1
99.00856	2.0
101.02433	14.6
106.19981	0.7
109.02950	1.0
110.64826	0.7
113.02448	7.4
115.04009	3.2
116.92839	2.1
119.03495	5.2
121.02917	1.2
123.00885	5.9
124.01628	2.1
124.71848	0.7
125.02446	2.6
137.02426	2.5
137.12798	0.8
138.03230	14.6
139.03979	2.1
143.03506	2.0
149.02435	0.9
150.03148	1.5
153.05573	11.0
159.04483	0.7
165.01920	1.5
165.05574	1.9
166.27927	0.7
169.01375	0.7
177.41182	0.7
178.36035	0.6
179.07100	0.8
187.04083	3.9
188.04568	1.0
189.05528	1.7
195.06578	1.2
201.05386	0.8
202.06372	3.8
203.07100	4.0
220.07474	0.9
221.08253	2.1
223.06126	1.8
233.08157	9.1
252.00246	0.7
257.04523	0.8
257.08517	0.7
269.08096	0.8
298.04929	0.8
311.09021	0.7
313.07089	2.1
325.07178	1.0
326.07797	0.9
327.08582	3.1
340.09296	1.5
341.06723	0.8
341.10272	3.4
343.08124	1.4
343.12064	1.1
344.08792	2.4
344.12570	1.4
355.11819	2.4
356.08820	1.6
358.10431	5.7
359.11240	8.3
359.15091	2.8
371.11310	7.4
372.11771	1.6
373.12848	13.4
386.13696	2.7
389.12479	6.3
401.15936	4.3
404.14691	8.9
405.15381	3.0
419.17151	31.9
420.17499	1.1
521.20361	9.2
566.20203	4.0
581.22369	100.0
582.22803	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98820	6.8
69.22211	8.3
69.22639	9.8
71.01377	48.9
73.02950	5.1
82.95408	3.2
83.01408	3.5
84.95119	8.4
85.00426	5.8
85.02952	8.6
89.02445	71.6
94.98067	3.8
95.01367	3.7
96.96030	7.5
101.02428	22.8
109.02953	11.8
113.02439	19.8
116.92840	15.9
119.03513	26.8
121.02954	3.2
125.02444	7.7
131.03421	4.4
133.01450	3.5
137.02428	3.2
143.03490	6.1
151.03989	4.0
152.01088	6.4
153.01930	25.8
161.04530	7.1
164.01151	3.7
169.01384	10.9
175.15419	2.7
177.01825	4.5
179.05609	19.9
192.00613	27.6
192.04250	5.1
195.03001	19.1
207.02998	17.8
207.06647	7.1
209.04587	11.4
225.04048	8.1
228.61427	3.1
255.05090	37.0
255.10220	6.4
268.05865	5.2
280.34247	3.2
283.08142	10.4
283.09991	8.2
297.06146	10.8
298.12164	3.6
310.12564	3.1
311.09247	39.9
326.11569	26.2
330.49246	3.3
341.13855	38.2
419.74084	2.9
521.33191	10.5
581.14752	7.0
581.23853	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	581.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.5
69.59625	2.0
69.60017	3.2
71.01372	6.2
73.02929	1.8
73.93699	1.1
78.91888	1.1
81.24834	1.0
84.30368	1.0
85.02942	2.6
85.36487	1.0
87.00867	1.2
88.98817	2.7
89.02418	2.2
95.01347	1.1
96.95990	0.9
98.21803	1.3
99.00835	1.1
99.92606	1.8
101.02444	5.2
103.92680	0.9
109.02933	1.0
109.14602	0.9
113.02438	2.1
116.92857	19.4
121.02944	1.4
124.01663	1.2
125.02444	4.4
131.73462	1.0
137.02435	5.6
147.04544	1.9
149.06065	4.8
151.03999	3.0
152.04730	1.2
163.04005	4.4
165.01942	1.3
167.03481	1.0
173.06012	1.6
174.03210	2.5
175.04015	12.0
175.07634	4.3
176.04770	1.9
177.01801	1.0
177.05464	1.5
179.06975	1.2
180.04268	3.8
183.02965	1.6
188.04755	3.2
189.05576	4.4
189.85240	1.0
190.06348	17.8
191.07130	13.0
193.04984	5.0
194.05791	3.7
202.61475	0.9
203.07086	1.8
205.08678	15.7
207.06686	5.6
208.07399	19.9
213.14897	1.3
222.08951	6.1
237.07622	4.1
250.47058	1.0
269.08127	1.5
299.09131	1.0
311.09018	1.3
314.11563	3.4
326.11517	1.9
329.13901	10.7
341.13901	7.4
374.13574	2.3
375.20224	2.0
377.16064	2.7
389.16046	100.0
390.16327	3.9
419.17096	4.5
519.23547	1.2
545.26160	1.2
563.23199	2.9
581.23962	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	581.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12783	0.7
59.01376	35.9
67.68446	0.7
69.32742	3.5
69.98051	0.8
71.01360	3.2
73.02931	1.6
85.02941	0.9
87.00925	0.7
88.07659	0.7
88.98779	0.9
89.02425	1.5
101.02464	1.4
113.02461	1.8
116.92857	13.4
118.93157	0.7
121.02959	0.8
123.51987	0.7
123.69995	0.7
125.02429	2.5
137.02463	3.4
139.04031	0.9
140.23639	0.7
145.02919	1.2
147.04497	2.2
149.06068	4.8
151.04010	4.5
151.75671	0.8
152.04744	1.1
153.01933	1.0
161.04666	0.8
163.04016	4.1
164.04646	0.9
165.01982	0.9
166.06340	1.7
173.06093	1.3
174.03232	2.0
175.04007	11.1
175.07602	3.5
176.04750	2.3
177.05568	3.0
180.04297	2.2
188.04808	2.7
189.05531	5.2
190.06342	18.4
191.03670	0.8
191.07147	11.2
193.05038	3.4
194.05847	3.3
195.06491	1.0
203.07184	1.9
205.08669	15.2
207.06514	3.5
208.07396	18.7
219.06664	1.2
222.08952	7.0
223.06183	0.9
237.07678	4.7
269.08145	2.7
299.09207	1.4
299.79910	0.8
308.70004	0.8
311.09183	3.0
314.11557	3.1
319.91043	0.8
326.11615	3.2
329.10172	1.5
329.13895	17.7
341.10495	1.0
341.13962	9.7
359.11166	1.5
374.13617	3.3
377.15994	1.6
383.16104	0.7
389.16034	100.0
390.16364	3.1
419.17041	5.3
521.20520	2.3
537.13452	0.8
581.24304	7.2
596.75494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
52.03183	1.0
55.01868	2.0
56.83493	1.1
57.03456	0.9
59.01381	38.8
60.99298	1.1
61.17070	1.0
61.98813	1.8
62.36002	1.0
66.42940	0.9
69.10882	4.9
69.11281	1.7
71.01381	24.7
72.99299	1.7
73.02940	3.5
82.20646	0.9
82.95380	1.0
83.01382	4.2
84.95113	1.7
85.02944	8.0
86.00086	1.2
87.00852	1.8
88.88705	0.9
88.98798	9.1
89.01925	1.2
89.02449	13.8
95.01384	2.8
96.96008	1.4
98.22686	2.0
99.00859	2.8
101.02439	12.7
109.02968	1.2
113.02442	7.0
114.94891	1.1
115.03996	3.4
119.03490	5.5
121.02939	2.1
122.03767	1.2
123.00893	6.7
123.04595	1.4
124.01643	2.6
125.02456	4.7
137.02449	1.5
138.03220	17.9
138.04253	1.0
139.04007	3.5
143.03513	2.2
149.02464	4.8
150.03255	8.0
151.03978	1.1
153.05574	12.3
159.04437	1.1
163.03979	2.2
164.04787	3.1
165.01845	1.1
165.05579	10.7
167.03479	1.6
173.06046	1.1
175.04015	1.4
179.07114	1.0
187.04024	3.2
188.04753	1.5
189.05482	1.5
193.01411	2.0
195.06636	7.8
201.05603	1.6
202.06340	4.0
203.07175	3.3
205.05074	2.2
208.03786	4.3
218.05928	1.1
221.08072	1.4
222.09088	1.0
223.06119	13.2
233.08214	10.8
241.04837	1.4
265.07217	1.7
271.84933	1.0
275.96524	1.1
295.02826	1.2
313.07150	3.0
325.07092	1.9
327.08591	2.9
340.09555	1.9
341.10236	2.2
343.07892	1.5
343.11752	1.8
344.08859	2.8
344.12561	2.5
355.11871	3.6
356.08820	1.3
358.10590	6.4
359.11212	10.2
359.15128	6.1
371.11258	8.3
373.12921	14.4
375.02744	1.0
386.13699	3.7
387.14453	1.1
389.11975	4.3
389.16397	2.4
390.12869	1.1
401.16217	4.8
402.50790	1.2
404.14737	8.5
405.15451	4.3
408.09900	1.1
419.17404	22.8
521.20221	20.4
545.09393	6.4
566.20111	4.2
581.22406	100.0
582.23059	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	41.7
61.98817	26.5
65.47334	16.4
66.04619	15.2
69.09420	22.5
69.09818	90.4
92.15494	14.5
92.81101	13.9
96.96026	100.0
99.04554	20.9
115.46886	14.3
119.62963	15.4
125.02473	23.5
192.82825	15.3
197.11812	34.4
253.09171	21.7
309.20688	55.6
333.20609	31.2
449.46817	16.8
526.42383	16.7
581.27301	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12599	18.2
59.01376	67.8
61.98819	77.5
70.18930	48.2
71.94291	19.6
96.96027	69.5
98.21996	25.0
140.28970	18.2
173.59274	18.3
197.11842	34.3
208.69865	19.0
211.13277	28.1
253.09290	39.3
309.20670	52.2
333.20886	27.4
340.73950	21.2
390.07159	22.9
482.49042	21.7
491.39389	20.7
545.30017	31.0
581.27991	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	581.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45773	19.1
58.24731	20.0
59.01358	61.3
61.98833	48.6
71.01369	26.3
75.27496	22.1
76.51482	21.9
78.48433	20.3
87.28069	21.3
89.45562	21.7
96.96001	30.5
116.92925	29.1
164.39272	21.6
197.11880	44.2
253.09285	52.0
309.20724	47.2
333.20663	57.9
581.27777	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	581.2997
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
64.29929	1.4
71.01361	4.7
73.02936	1.9
78.95885	1.5
78.98570	3.7
79.95734	8.4
80.96517	49.0
85.02932	1.5
87.00842	1.4
94.98085	13.6
96.95992	2.7
97.02945	1.4
106.98079	2.6
111.75520	1.3
122.97565	1.5
125.17162	1.2
134.97578	3.3
136.99084	1.1
148.99144	5.2
152.98605	3.5
153.53735	1.1
154.84779	1.1
164.98619	10.4
206.99704	3.8
211.14832	1.4
225.00705	12.4
281.24863	2.6
299.04483	1.6
303.41928	1.4
331.30017	1.5
570.32825	1.4
581.29974	100.0
582.30286	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	581.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
63.96249	0.8
69.03444	0.5
71.01381	7.1
73.02946	2.2
77.89439	0.3
78.95912	0.4
78.98586	5.8
79.95734	8.6
80.96516	60.9
81.03431	0.9
82.10078	0.3
85.02959	2.9
87.00877	2.8
94.97476	0.7
94.98086	14.9
96.96010	1.7
97.02948	1.4
99.00867	0.8
99.04514	0.5
101.02436	2.9
106.98085	2.7
113.02455	0.4
122.97598	4.6
125.02436	3.4
127.04041	0.7
134.97601	4.5
136.99149	1.6
148.99146	5.3
152.98624	7.3
164.98622	12.3
165.99548	0.5
167.00197	0.5
179.00171	0.4
182.99701	2.6
188.98567	0.5
206.99670	3.1
225.00748	19.3
228.47795	0.4
243.01845	2.2
281.24878	3.6
299.04459	3.0
441.08890	0.4
581.29993	100.0
582.30273	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	581.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
61.98832	0.3
69.18362	1.0
72.57950	0.1
77.48341	0.1
84.95129	0.2
90.77283	0.2
92.04839	0.2
96.96002	0.3
109.02938	1.5
110.03731	2.9
123.00896	0.3
124.01653	0.2
125.02434	1.2
137.02460	1.4
138.03227	5.7
142.02705	0.6
165.01939	0.2
166.02707	4.1
167.03450	0.3
179.03456	0.8
180.04274	2.1
198.01707	0.7
225.00879	0.2
233.15587	0.2
251.16504	8.2
252.16876	0.3
261.14890	0.3
279.15991	100.0
280.16290	2.6
455.32025	0.2
477.29584	0.2
481.28995	0.2
496.32135	0.2
512.55182	0.2
544.43378	0.2
545.20917	0.3
581.30750	5.9
582.30951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30007	1.2
58.32078	1.3
59.01371	3.0
66.03146	1.8
66.03486	25.8
68.89147	1.2
69.85791	3.4
88.39256	1.3
96.19028	1.2
96.33636	1.1
96.96010	1.6
98.21893	1.5
98.95614	1.4
101.21489	1.3
104.34801	1.1
110.02474	27.8
117.03455	1.4
121.02930	1.3
123.00868	2.6
124.01633	2.6
124.04105	1.4
125.02426	4.8
129.91003	1.4
133.02943	1.5
135.00807	1.6
135.17378	1.2
137.02415	3.0
148.64659	1.1
149.02397	5.2
149.21027	1.3
152.01128	1.6
161.02382	3.8
162.03210	1.9
163.00368	9.0
163.04022	1.4
164.01117	4.3
165.01866	5.9
166.02707	4.0
167.03465	3.3
177.01927	10.6
178.02715	6.2
178.99876	2.1
181.05014	2.5
189.01926	4.8
190.02689	10.6
190.99846	29.4
191.03412	2.7
191.17264	1.4
192.00636	87.6
193.01411	44.3
194.02119	3.7
194.92218	1.2
203.03537	2.6
205.01424	11.6
205.05019	3.3
206.02179	2.6
207.02971	70.2
208.03662	1.6
218.99393	2.9
219.03001	2.4
220.00058	1.5
221.00906	4.9
222.01620	2.9
231.02928	3.2
232.03784	7.2
233.00906	9.2
234.01654	10.8
235.02321	2.4
237.04012	3.9
247.02530	1.4
247.06056	2.4
248.03169	3.4
249.03996	15.5
276.02722	2.8
291.05093	6.4
294.03552	1.4
309.06131	10.1
337.04855	1.2
340.65802	1.4
354.05850	11.8
355.06729	4.0
356.07538	2.9
369.08243	15.8
396.06805	2.3
397.07718	1.7
399.09677	1.3
405.06946	1.7
411.09451	2.5
420.09338	54.1
421.09784	1.8
471.11386	12.9
479.08365	5.5
486.39215	1.3
489.12125	2.9
550.11871	2.1
567.12146	5.5
581.23138	1.3
582.14594	100.0
583.14728	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	583.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51053	0.4
59.01362	1.7
60.99305	15.3
65.16837	0.4
69.54421	1.1
69.54806	1.0
71.01394	1.2
72.99311	0.6
83.01402	0.4
85.02946	0.6
87.03465	0.5
88.98803	100.0
89.99116	0.7
92.55288	0.4
96.96015	0.9
102.80780	0.4
109.02956	1.2
109.60706	0.5
111.00845	0.6
113.02460	0.6
126.91450	0.5
138.03157	0.8
152.01198	0.8
153.01950	1.0
153.05597	0.5
192.00615	2.3
193.01434	1.8
197.04459	0.9
207.03096	1.2
249.06187	0.4
251.05701	1.1
310.30334	0.5
361.16531	1.0
385.07608	1.0
385.18686	0.7
447.11584	1.1
473.75528	0.5
493.09885	6.0
523.21869	2.5
541.34985	0.6
567.96613	0.9
582.99646	0.7
583.13013	2.7
583.22913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1091
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
51.07564	0.9
59.01380	6.5
61.98811	3.9
70.22066	2.2
70.22416	1.6
71.01377	2.2
76.86851	1.0
78.61829	0.9
78.91886	1.6
81.03439	1.2
82.95399	3.7
86.18524	0.9
88.47385	1.0
89.02474	1.3
91.05466	1.1
95.01364	1.8
96.96001	11.2
101.54037	1.0
107.01359	4.5
107.05014	2.1
109.02914	1.4
111.00900	1.5
113.02409	1.4
117.03444	2.2
119.05042	1.7
121.02953	8.1
123.00871	4.6
123.04523	3.9
124.01665	7.4
125.01620	2.0
125.02444	23.8
127.00389	1.1
133.02905	3.2
135.04497	3.1
137.02426	2.7
139.00314	1.8
139.03984	3.0
140.01143	2.1
145.02881	5.0
147.04495	1.5
148.01674	1.2
149.02455	1.7
161.02425	11.8
162.03189	5.4
163.04008	4.7
164.01143	2.2
165.01907	2.7
166.99838	2.8
168.00632	7.2
169.01405	17.1
173.02374	3.6
174.03256	1.2
175.03922	2.2
177.01863	4.1
178.99800	1.2
183.02965	6.0
187.03886	1.0
189.01926	2.9
190.02721	9.8
191.03496	10.0
192.00629	9.8
193.01407	9.5
203.03587	1.3
205.01404	6.9
205.05032	1.5
206.02176	8.9
207.02957	18.0
211.02454	8.5
217.01250	1.3
218.02258	1.2
220.03763	2.0
221.04594	1.9
231.02950	1.3
232.03873	1.3
233.00868	2.3
233.04492	1.2
234.01691	22.5
235.02457	22.8
246.01692	2.1
247.02435	1.4
249.04022	7.0
259.02417	1.0
273.03961	1.2
276.02747	1.3
277.03400	4.8
279.05103	1.7
284.10983	1.0
294.03705	3.5
294.07877	0.9
295.04486	3.7
301.03345	1.8
309.06216	5.3
335.18561	1.9
335.22147	2.8
417.08191	12.4
431.09552	4.4
461.06976	7.5
568.08289	1.8
583.10858	100.0
584.11359	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	583.1093
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
59.01391	2.6
60.32425	0.4
61.98830	7.7
61.99117	0.6
63.02422	1.8
65.00316	4.5
68.91817	0.4
70.69244	0.7
71.01421	0.7
83.01379	3.3
93.03490	1.7
96.96012	5.3
99.03249	0.4
99.92614	1.2
100.93372	1.1
107.01384	8.5
107.02020	0.7
108.02208	1.0
109.02946	5.6
115.92116	1.5
116.92846	7.1
116.93569	0.6
119.01400	0.7
119.05077	0.8
121.02948	6.6
123.00879	0.5
125.02448	5.5
135.00935	0.9
137.02484	1.0
139.00540	0.4
139.03999	0.9
141.01709	0.8
143.05081	0.6
148.01685	0.8
149.02451	1.3
150.03354	0.4
151.00360	32.3
152.00925	0.4
153.01990	1.9
159.04553	1.2
161.02551	0.7
163.00359	5.2
164.01115	0.7
169.01433	6.5
169.02768	0.6
171.04546	0.6
173.06131	0.6
175.04051	0.5
178.99854	15.2
183.04605	1.0
185.06085	0.8
187.04074	1.6
189.05547	0.6
189.14503	0.4
190.99902	0.6
193.01408	0.5
199.04005	1.0
201.05634	1.3
203.03540	0.4
211.03964	2.7
213.01978	0.5
213.05536	0.7
226.02527	0.6
227.03435	2.2
229.05014	3.5
231.02861	0.6
239.03474	0.8
243.03029	2.3
245.04564	3.0
255.03000	8.4
256.03619	0.6
257.04587	1.1
266.02081	0.6
271.02460	11.0
271.05234	0.7
272.03189	1.1
273.04037	1.9
283.02493	2.5
285.04025	10.9
299.01984	1.9
300.02759	15.2
301.03519	100.0
302.03781	2.5
313.07108	0.8
315.05176	0.7
339.50995	0.4
413.12640	0.9
429.08069	1.0
447.09198	0.7
564.74420	0.4
583.10779	33.5
584.11243	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	583.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27432	1.9
55.01868	2.3
57.03429	5.2
59.01381	25.0
61.98829	47.2
69.03448	4.7
71.01378	21.3
72.99299	3.5
73.02925	4.1
73.36285	1.9
75.00884	13.2
82.95435	3.2
83.01368	4.6
84.95118	6.1
85.02948	19.7
87.00844	7.7
89.02460	5.2
91.01917	5.1
95.01382	5.1
96.95986	9.3
97.23651	1.9
99.00890	14.8
101.02410	6.1
107.01385	3.5
108.02128	5.3
109.02933	7.6
113.02455	19.1
116.92836	5.3
123.00883	3.0
123.04529	22.2
125.02428	9.5
127.53600	2.1
137.02441	5.3
139.11255	8.9
141.01701	3.4
151.00371	5.7
152.01106	4.9
153.01891	8.9
156.16122	2.0
161.04501	3.6
167.03500	38.4
169.01416	4.9
175.03947	2.6
183.10297	12.1
249.06018	5.8
267.07001	3.8
337.09048	3.3
399.09103	7.8
417.10547	10.4
433.17120	17.9
523.34326	6.2
565.18835	3.6
583.20087	100.0
584.20355	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26227	2.0
59.01373	13.5
61.98816	6.2
70.14792	3.4
70.15148	4.8
71.01387	7.3
85.02977	2.9
89.02407	3.9
93.03461	3.7
96.96000	8.2
101.02426	4.2
102.13087	2.2
113.02410	3.2
121.02955	6.3
122.03731	15.4
125.02454	4.5
149.02432	29.9
150.03224	94.7
161.04576	3.4
164.04822	4.9
165.05559	100.0
177.05568	3.0
180.04285	6.0
195.06606	67.7
198.58473	2.4
198.79457	2.4
250.14572	2.3
259.19144	9.7
279.02008	2.2
281.76324	2.2
293.49222	2.7
299.09247	2.5
307.09518	2.3
323.09323	2.5
326.11444	4.9
327.08701	6.4
339.08765	5.8
342.11331	4.2
354.11069	3.4
357.13419	24.5
369.13501	26.4
421.24719	6.3
505.18906	6.4
535.19647	47.2
583.30621	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	583.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00900	17.5
59.01365	70.5
61.98822	33.4
71.01358	22.6
96.96001	100.0
98.34795	19.8
99.32633	18.2
116.92831	35.2
119.17850	19.4
253.09148	26.4
311.22214	50.7
340.71133	19.6
496.16794	25.0
583.30042	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2899
Annotation	Methyl ganoderate F
Peak:m/z	Relative Intensity
52.00900	17.5
59.01365	70.5
61.98822	33.4
71.01358	22.6
96.96001	100.0
98.34795	19.8
99.32633	18.2
116.92831	35.2
119.17850	19.4
253.09148	26.4
311.22214	50.7
340.71133	19.6
496.16794	25.0
583.30042	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
61.98826	100.0
69.40282	0.6
69.40666	0.6
71.01379	0.6
75.46888	0.3
80.04359	0.2
80.09515	0.3
81.24654	0.3
93.03463	1.1
94.03835	0.4
96.96033	0.7
101.02418	0.4
113.61236	0.3
116.92880	0.6
121.02999	0.3
125.02485	1.9
137.02481	0.5
164.67111	0.3
169.01434	1.2
210.51146	0.3
213.05667	0.8
214.05975	0.5
222.57236	0.3
316.01932	0.3
387.22543	0.3
584.12000	0.4
584.25000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79869	1.1
58.01353	1.0
59.46685	1.0
61.98820	4.9
64.18918	0.9
65.22115	0.9
69.24725	6.2
70.03954	1.0
75.12795	1.0
76.16916	1.1
78.88840	1.0
93.03448	2.3
98.21886	2.4
116.92869	4.6
118.35887	1.2
121.02916	1.3
137.02431	2.1
193.01418	100.0
212.42049	1.1
212.50693	1.1
213.05576	1.1
243.23288	1.1
271.16962	3.0
299.16504	3.2
310.15720	1.8
326.15311	7.3
327.16031	14.0
498.47842	1.1
521.18201	23.6
522.17993	1.0
535.03864	1.3
546.78949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98826	100.0
63.22921	0.2
71.01382	0.5
73.02959	0.2
80.91675	0.3
83.01382	0.2
85.02945	0.2
89.02451	0.2
96.96019	1.0
116.92851	0.6
121.03008	0.2
125.02446	1.0
137.02544	0.3
138.05794	0.3
139.04028	0.2
169.01462	1.0
188.35249	0.2
285.62708	0.2
439.94968	0.2
524.35272	0.7
584.25073	0.5
585.19916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1249
Annotation	CHEBI:73787
Peak:m/z	Relative Intensity
54.75939	0.3
57.03445	14.0
57.20595	0.3
59.01371	1.0
59.19181	0.3
61.98825	1.9
65.03961	0.3
67.01888	0.4
69.71101	0.3
71.01401	0.5
71.45824	0.4
72.99310	0.5
80.39498	0.3
81.03444	0.5
83.01386	3.9
85.02944	0.5
88.98809	0.4
90.07722	0.3
93.03455	28.4
95.01377	1.8
96.02166	0.7
96.95984	0.4
97.02989	0.4
106.98255	0.4
107.01418	1.7
108.02164	0.6
109.02956	2.7
110.00120	0.3
111.00894	1.5
116.92861	1.2
120.81985	0.4
121.02959	1.4
122.03744	0.4
123.00885	1.2
123.04530	2.1
124.01660	6.1
125.02443	100.0
126.02774	1.2
133.02934	2.2
137.02440	50.6
139.00391	0.5
139.03999	1.0
144.39905	0.4
146.03770	0.5
147.04535	1.0
149.02440	2.6
150.03201	2.2
151.00368	7.6
151.04004	3.8
152.01151	14.0
153.01927	5.7
159.04427	0.4
161.02452	0.5
161.06076	1.1
163.00354	1.5
163.03995	0.5
167.03514	1.0
169.01486	0.5
171.04506	0.7
172.05328	0.6
173.06068	1.6
174.03200	1.5
175.04028	4.3
176.01180	2.1
177.01924	4.0
178.98355	0.7
178.99850	6.7
179.03447	0.5
180.00606	1.1
181.01413	0.7
185.06026	0.5
187.04001	0.7
188.04834	1.8
189.05554	5.9
191.03471	1.3
191.07137	0.6
193.04965	1.9
197.06125	0.7
199.04004	1.3
201.01965	0.5
201.05518	0.5
202.02757	0.3
203.07152	0.4
213.05559	1.8
215.03473	0.8
215.07135	1.5
216.04300	1.4
217.05049	13.8
218.02202	0.9
219.02983	1.1
230.05920	0.7
231.06586	2.6
240.04106	0.3
241.05035	2.1
243.02963	0.4
256.03909	0.5
257.04584	1.3
258.05276	0.9
259.06110	15.0
267.02878	0.9
274.05090	0.4
275.05582	4.6
283.02423	0.6
284.03290	1.7
285.04019	29.6
286.04352	0.9
303.05118	7.1
303.08459	0.3
315.08749	1.7
403.10361	1.8
419.09979	2.8
421.11191	0.8
429.08307	5.0
437.11081	2.5
447.09277	6.8
465.10477	5.1
536.39288	0.4
541.13147	2.9
549.23236	0.5
557.12988	6.3
567.11420	8.3
585.12439	79.8
586.12756	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	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.8
59.01376	10.0
61.98827	9.7
71.01389	2.7
71.92603	0.5
73.02952	2.2
75.00891	0.6
75.32293	0.7
78.91827	0.7
80.89784	0.6
82.95415	1.2
83.01419	1.5
85.02965	1.3
87.00871	0.6
93.03452	3.8
95.01400	1.3
96.96025	0.8
98.90805	0.6
101.02473	1.9
105.03456	0.7
107.02792	0.6
109.02962	1.0
111.00919	1.0
113.02457	2.1
116.92838	1.4
121.02961	10.6
122.03741	15.3
123.00957	1.0
123.04515	0.7
124.01631	1.4
125.02456	5.9
128.71498	0.7
133.02979	2.5
135.04504	0.7
136.01698	0.8
137.02480	1.7
138.03297	0.8
139.11247	1.4
148.01677	0.7
149.01228	1.4
149.02441	34.0
150.03224	91.8
151.03802	1.9
153.05537	3.7
160.01697	1.0
161.02400	0.8
164.04790	8.3
165.05565	100.0
166.05928	1.3
167.30275	0.7
169.01408	4.7
177.01941	3.3
179.07158	0.9
180.04272	7.2
183.10225	2.6
195.06616	65.3
196.06834	1.1
197.04533	10.1
197.06136	1.1
214.93694	0.6
225.11331	2.0
243.12358	2.4
257.12961	0.6
270.08893	1.8
283.09814	1.3
285.11298	1.9
297.11438	0.8
298.08533	0.8
299.09158	1.2
299.12857	0.9
301.11945	0.8
311.09198	1.2
313.10867	0.7
314.07889	1.6
325.10834	1.3
326.07843	1.0
326.11371	1.1
327.08942	0.9
327.12158	4.1
328.13113	8.9
329.10324	4.8
330.10953	0.9
341.10309	7.0
342.10358	0.6
343.15451	1.9
344.08881	0.7
344.12656	6.7
345.13486	0.8
356.12692	3.0
357.13498	0.8
359.14948	20.2
371.10709	1.3
371.15005	17.2
387.16449	2.1
415.13977	0.7
463.17532	0.8
492.17593	1.1
507.20297	7.7
519.19745	1.2
522.18549	0.8
525.25128	0.6
537.21271	49.6
538.21375	2.6
543.27869	1.1
585.23218	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	586.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89696	9.5
61.98824	56.4
70.02354	10.9
71.21781	13.5
74.67800	10.7
95.72881	9.4
124.01615	9.2
125.02447	40.9
152.01138	24.4
178.67653	11.3
178.99884	35.6
204.24391	11.8
523.19659	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	586.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31819	0.2
59.01366	0.3
61.98828	100.0
69.27365	0.7
77.91584	0.2
89.56477	0.2
98.22615	0.4
125.02419	0.3
138.88875	0.2
169.01340	0.2
171.24431	0.1
183.80901	0.2
216.08580	0.2
227.56487	0.2
245.63463	0.2
354.33557	0.2
386.19244	0.3
420.62497	0.2
457.29425	0.2
523.24054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.5
61.98808	6.1
69.09264	10.4
69.09670	4.5
71.01366	6.6
71.16135	1.9
75.42405	2.0
81.03424	2.4
87.00862	2.6
89.02420	9.7
91.82335	2.2
93.36129	2.2
97.06523	2.4
101.02437	10.5
113.02457	7.1
122.06223	2.6
125.09733	6.5
133.09000	2.1
161.04532	5.5
163.11269	4.4
185.11786	6.0
191.14409	7.0
209.11815	20.6
225.11319	2.6
237.11467	2.6
245.19119	12.5
253.09268	46.8
263.20020	6.5
289.18100	99.0
290.18573	2.4
307.19131	100.0
308.19449	3.4
543.28400	4.7
586.84094	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	586.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
61.98828	100.0
70.19700	1.9
82.48857	0.7
85.02948	1.5
94.27316	1.0
100.26506	0.9
134.81607	0.8
186.81801	0.8
191.10765	1.0
207.13971	0.8
223.13625	1.1
235.13310	1.8
293.17557	1.7
311.18649	6.4
339.63681	0.9
379.18954	0.9
523.36365	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20848	5.4
52.81555	6.4
55.10477	7.3
57.98471	5.9
59.01376	17.4
61.98833	7.3
71.01392	11.2
85.02948	7.2
89.02454	11.3
93.03464	12.1
96.96004	21.8
109.02957	34.2
111.00896	11.6
123.04551	8.1
125.02450	36.9
127.17207	6.7
137.02460	24.4
138.03203	8.0
145.03004	6.6
151.04050	9.6
153.01949	32.4
153.05615	6.1
161.02463	7.8
165.01935	8.0
190.74280	6.5
217.77116	6.3
258.85095	6.9
271.06143	10.3
289.07224	25.5
400.42932	6.5
419.17139	11.5
422.80664	8.2
425.08997	17.2
451.12192	20.3
504.72784	7.4
551.21356	100.0
587.14923	8.0
587.24658	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	587.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
60.91010	0.7
61.98823	3.5
71.01380	2.1
72.67114	0.7
82.95384	0.8
85.02934	1.2
89.02449	1.1
90.25184	0.8
92.81688	0.7
93.03452	2.1
94.03650	0.7
95.05038	1.4
101.02483	1.8
109.02963	1.6
116.92824	1.5
119.03448	0.8
120.04578	2.2
121.05328	2.6
122.06135	4.8
123.00876	0.8
123.04507	1.2
124.01631	0.9
125.02438	5.8
134.06122	1.7
134.76126	0.8
135.04510	1.3
136.07703	10.1
137.02440	3.4
147.02142	0.9
151.03992	0.8
160.96996	0.7
161.02455	1.2
169.01422	3.3
171.11798	2.0
177.01892	2.1
189.01936	1.6
191.03490	1.1
198.09212	1.4
199.10066	1.3
214.12326	9.3
217.01422	1.5
219.13846	1.4
227.08333	1.3
229.09845	7.4
230.11816	5.5
241.09842	7.2
242.10580	15.1
255.11417	1.7
257.12949	84.4
258.13342	1.7
263.13065	1.3
271.06271	0.9
300.11221	0.9
301.11926	100.0
302.12204	3.0
323.05612	1.0
341.06607	3.8
404.74341	0.8
435.10834	4.0
497.21265	0.9
515.22925	1.1
527.25452	1.1
549.22595	1.4
551.12225	0.9
551.24402	1.2
587.13190	0.9
587.25104	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	587.251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51162	0.4
59.01380	5.5
61.98827	7.5
67.01901	0.7
69.17553	3.1
69.64584	0.5
71.01385	2.4
73.81544	0.5
75.00848	0.9
79.05530	0.6
85.02945	0.9
91.44432	0.5
93.03460	0.8
99.92593	0.9
101.02457	0.6
109.37669	0.5
113.02439	0.7
114.93346	0.6
116.92856	9.2
117.92805	0.5
120.04546	1.8
121.05302	1.9
122.06124	5.1
123.00845	0.5
125.02444	2.4
134.06102	1.6
136.06743	0.6
136.07692	7.2
137.02464	1.1
138.03293	0.6
151.07596	0.5
153.01962	0.8
161.07201	1.0
169.01497	0.7
171.11816	1.9
177.01848	0.7
186.09235	0.7
198.09268	1.5
199.10103	1.1
200.18257	0.6
214.07355	0.6
214.12337	7.9
226.07481	1.2
227.08238	2.1
229.09772	4.2
230.11934	3.1
241.09798	6.9
242.10617	15.6
255.11501	0.5
256.12231	0.7
257.12955	74.2
258.13281	1.5
283.72797	0.5
300.10843	0.5
301.11926	100.0
302.12225	2.4
371.18375	1.0
402.45999	0.8
445.67722	0.6
506.45065	0.5
515.22742	0.6
535.26385	0.5
544.27344	1.1
549.23590	4.0
551.24890	2.9
587.25854	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	587.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43625	1.1
61.98819	4.3
69.24075	5.1
84.64085	1.2
110.72217	1.2
116.92867	6.2
124.01646	1.6
136.01691	1.3
138.03217	1.9
142.29486	1.1
148.01630	1.2
149.02376	1.1
161.02437	5.3
162.03191	4.0
164.01138	10.0
166.02670	4.2
177.01932	3.5
178.02739	2.1
178.99866	3.2
189.01933	1.6
190.02701	6.1
192.00636	100.0
193.01382	26.7
194.02165	11.8
205.01332	7.4
206.02203	8.4
207.02972	54.1
221.00899	2.9
222.01639	5.5
232.03761	3.5
234.01657	24.3
235.02364	2.4
237.04004	5.3
242.94237	1.3
249.03990	24.5
291.05127	4.1
294.03812	1.9
309.02991	2.1
309.06152	22.1
312.04745	3.9
327.07156	20.4
572.26190	5.1
587.28632	20.4
608.44647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94472	1.4
53.11327	1.3
55.01845	1.4
59.01378	58.3
61.98835	8.4
65.46194	1.6
69.46420	3.9
69.46823	2.3
71.01059	1.7
71.01384	18.5
73.02944	21.0
79.71721	1.3
81.03457	30.0
83.01381	6.1
83.05025	77.5
85.02927	4.3
86.02459	3.9
87.00875	2.4
89.02448	7.0
101.02441	20.3
113.02421	7.0
119.03492	2.1
125.02432	3.7
127.04082	2.0
137.17255	1.4
142.08710	4.5
143.03496	1.8
144.10307	1.8
145.05061	5.1
149.04549	1.6
160.98059	1.6
161.04553	2.8
168.46838	1.7
169.12390	1.4
170.08199	5.0
179.05569	1.7
181.12329	7.0
188.09274	14.5
322.20364	1.8
332.13406	5.4
340.21262	3.2
350.14532	17.0
362.11163	1.4
392.15680	14.8
447.26968	1.3
466.24350	2.9
484.25546	8.0
502.26770	8.3
526.26666	3.0
529.26733	1.5
544.27606	100.0
545.27942	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	588.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03724	1.7
59.01376	55.3
59.58566	1.9
61.98824	15.5
69.86536	1.7
71.01379	16.0
71.64639	1.6
73.02937	18.5
81.03464	4.0
82.95396	2.1
83.01380	4.9
83.05025	12.6
85.02945	6.0
88.98820	2.3
89.02429	14.6
93.03334	1.8
94.02692	1.6
96.95969	1.7
98.22675	4.0
99.00845	2.1
101.02444	19.1
113.02457	8.3
119.03482	2.6
125.02451	13.3
131.03514	2.1
139.07649	21.5
149.04572	5.0
150.29874	1.7
158.11867	7.8
161.02467	3.5
161.04471	2.4
171.42897	1.8
180.13953	3.0
181.12404	11.5
224.12914	5.2
249.39151	2.1
349.81683	1.6
446.20218	4.2
463.38065	2.0
484.25595	6.6
502.26624	4.4
529.26514	10.9
543.20856	1.9
544.27594	100.0
545.28021	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	588.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36482	1.8
59.01378	60.9
61.98814	8.9
68.99563	3.2
69.28040	5.1
69.28449	5.6
71.01380	19.0
72.72798	1.6
73.02954	21.4
81.03456	22.3
81.67325	2.2
83.01378	6.0
83.05025	65.0
85.02937	7.6
86.02467	2.4
87.00879	3.1
89.02446	11.9
91.01891	8.8
92.88636	1.8
95.01350	3.0
96.96020	20.0
101.02444	19.4
108.02168	11.8
109.02415	2.0
112.98585	2.1
113.02438	10.3
115.07613	2.8
119.03518	3.7
123.00922	3.5
125.02470	10.1
135.00880	9.1
136.01169	2.9
137.02396	3.6
139.07678	9.1
152.01172	10.3
153.01489	2.3
157.08633	1.9
161.04549	2.0
170.08183	6.0
181.12305	15.0
188.09265	12.9
199.13298	2.2
211.07571	1.9
224.12978	2.3
243.06599	51.9
244.06947	38.1
265.79099	1.8
322.20154	3.3
332.13345	3.6
340.21313	3.0
340.48431	1.9
350.14346	13.2
374.57928	2.1
377.84521	2.0
392.15540	7.7
446.20090	4.9
466.24490	3.5
484.25278	7.4
502.26541	6.9
526.26709	2.4
544.27631	100.0
551.17719	3.6
552.18115	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	588.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35890	4.4
56.36639	4.0
59.01371	22.8
61.98824	31.3
61.99991	5.2
68.33532	4.4
69.68709	9.8
69.69052	12.4
71.01379	12.0
89.02452	6.0
93.42078	5.2
101.02440	8.8
111.08152	22.3
113.02421	9.0
169.12340	6.6
179.68045	4.8
197.11842	83.6
211.13382	15.9
253.09293	56.2
291.19556	22.0
309.17471	6.4
309.20737	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	588.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65020	4.4
59.01367	18.6
61.98829	45.1
62.15209	4.7
62.31473	4.0
63.38266	4.6
68.53669	4.2
69.29793	12.9
69.30183	8.9
71.01385	10.4
73.45341	4.4
75.20470	4.4
85.02960	5.0
89.02429	8.3
98.21821	8.7
101.02431	10.0
111.08160	12.3
161.04498	6.7
171.10233	7.3
172.10535	4.9
173.21570	4.4
197.11816	54.7
211.13324	11.7
236.48000	4.2
245.87195	4.3
253.09296	56.4
291.19656	21.8
309.20724	100.0
549.95959	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	589.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01380	7.9
73.02943	3.4
75.06440	0.7
83.01430	1.1
85.02940	3.6
87.00837	1.7
89.02447	7.0
95.01405	1.2
96.99291	2.1
101.02461	5.6
101.03061	1.0
108.71920	0.7
111.00886	5.8
113.02436	2.4
119.03493	1.1
125.02452	0.9
131.03508	1.1
141.00543	2.9
141.01694	68.5
143.03528	0.8
149.04544	2.5
155.01958	1.8
161.04530	3.2
222.62791	0.8
265.14404	3.1
336.80472	0.9
397.17007	3.7
397.22177	4.1
450.18170	0.9
529.20624	4.2
529.27808	10.6
589.25415	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	589.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42435	1.5
57.03426	3.0
59.01378	100.0
61.98825	4.6
70.14454	4.6
71.01386	10.3
73.02952	3.3
85.02930	3.7
89.02443	8.5
96.99305	8.6
99.00880	3.2
101.02433	5.9
104.97176	1.4
111.00882	6.8
113.02438	3.9
124.01665	3.0
125.02442	12.9
131.03528	3.4
135.08191	1.9
141.01697	57.3
149.04546	4.5
152.01129	1.8
161.02438	2.2
161.04611	1.8
163.07660	18.9
169.01413	5.4
179.07083	2.7
181.08684	5.4
186.30501	1.8
192.47858	1.5
207.06586	15.8
224.06877	1.9
225.07675	43.7
247.13394	2.4
263.12881	4.7
331.97348	1.6
397.17096	2.6
397.21933	1.5
423.59784	1.7
426.19171	1.6
447.22461	7.3
452.38016	1.6
529.26440	8.6
553.22815	31.1
554.23212	2.2
589.25793	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00108	0.9
55.01867	1.5
57.03432	2.1
59.01377	24.8
60.90888	1.0
61.98811	3.8
62.02326	0.8
71.01009	2.0
71.01379	31.8
73.02946	14.0
73.38495	1.0
74.23341	1.0
75.00910	1.3
81.03448	1.5
81.37683	1.0
82.95403	1.7
83.01371	3.2
85.02948	11.6
87.00875	2.3
88.98802	3.1
89.02444	13.7
95.01378	2.3
96.95995	3.6
97.02955	1.9
99.00874	6.9
101.02437	20.8
111.00880	4.0
113.02440	11.1
114.30103	1.1
115.04020	1.2
116.92844	2.5
119.03522	1.6
123.08206	1.1
124.01635	2.3
125.02455	7.9
131.03516	2.4
133.44336	1.0
137.02393	1.7
143.03448	1.5
149.04535	1.5
155.03426	1.1
159.03012	2.1
161.02477	1.5
161.04543	4.0
167.03511	1.1
169.01456	1.4
172.34360	1.0
177.01880	1.5
179.07222	1.3
233.06662	1.5
235.17023	3.7
265.10593	2.3
272.55725	1.1
279.16025	1.4
293.08673	1.4
297.17142	1.0
316.02203	1.7
328.05792	1.3
329.06732	1.5
397.22144	9.4
409.14117	1.2
419.56915	1.2
459.22015	2.2
501.23178	3.5
527.21539	1.5
529.26501	100.0
530.26978	3.4
545.22339	3.0
546.29523	1.9
589.29547	1.4
595.67499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42005	2.1
59.01377	80.3
61.98836	8.3
71.01380	45.0
71.45137	2.4
72.99311	3.3
73.02940	20.1
75.05328	2.0
83.01379	2.8
84.95106	3.7
85.00409	2.8
85.02947	8.2
89.02442	76.6
97.02937	4.0
99.00887	21.4
99.04544	2.4
101.02442	36.1
108.94536	2.2
113.02452	12.5
115.63509	1.9
119.03480	4.5
119.88586	2.2
123.04484	2.3
125.02437	15.5
131.03510	17.5
141.01695	4.7
143.03461	4.3
149.04552	54.9
149.38553	2.4
161.04485	4.7
161.77605	2.0
171.78940	2.0
179.05602	2.1
191.05562	11.4
206.18733	2.9
217.04294	2.4
221.06572	5.4
233.06551	2.2
235.16960	4.0
251.07791	8.3
287.05463	3.4
293.08813	5.0
301.03503	2.6
311.09360	2.7
385.12793	3.2
397.22308	6.2
435.02368	2.8
529.26556	100.0
529.34509	5.3
530.27100	5.5
603.12097	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	589.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
63.42513	1.0
69.24531	5.7
98.21888	2.8
108.75818	1.1
124.01649	2.0
125.02404	1.3
136.01686	1.5
138.03174	1.6
149.02397	1.5
161.02455	5.4
162.03200	2.9
163.00331	1.2
164.01123	7.4
166.02724	5.7
167.03516	2.4
177.01894	3.8
178.02625	2.0
178.99728	1.6
190.02687	6.1
190.99904	1.2
192.00639	100.0
193.01393	28.2
194.02184	11.3
205.01384	5.7
206.02254	6.2
207.02975	59.0
207.04994	1.6
208.03351	2.0
209.04445	2.6
221.00822	3.0
222.01682	4.4
232.03748	3.2
234.01685	25.3
235.02467	1.9
237.04042	7.1
249.04039	18.6
253.31529	1.3
279.23267	1.3
291.05115	3.5
294.03781	2.4
309.06168	22.9
312.04822	3.3
327.07132	19.6
391.12485	1.2
557.66779	1.2
574.27930	4.1
589.30267	23.3
590.30829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96515	0.3
59.01385	0.4
61.98827	3.3
72.99306	2.6
75.00870	100.0
76.01180	0.3
81.44857	0.3
93.00944	0.7
106.73450	0.3
107.06563	0.3
129.67938	0.3
156.48540	0.4
205.46872	0.3
232.63777	0.3
277.21649	0.6
335.41809	0.3
507.37125	0.5
589.37421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98820	11.2
63.38287	3.8
69.30711	3.6
70.46648	8.9
71.01380	20.8
73.02963	9.4
83.01392	7.0
85.02950	6.5
89.02448	4.9
101.02459	13.5
113.02431	10.9
126.96838	3.3
138.93535	3.7
153.02031	8.3
171.10295	11.6
185.11830	9.6
199.09807	4.4
211.13293	4.4
321.32019	3.6
409.39059	3.6
460.02414	4.1
485.31219	33.8
503.32162	24.4
529.26855	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01380	24.7
61.98821	7.5
69.19421	4.5
69.19817	10.9
71.01377	6.6
73.02934	3.1
79.84788	2.2
84.59258	1.9
85.03006	2.1
89.02428	4.4
98.22610	4.6
101.02444	8.6
110.47431	2.1
118.74844	2.2
122.01786	2.4
134.37434	2.1
154.27205	2.2
161.04681	2.4
166.59575	2.2
171.10182	3.6
190.36682	2.1
195.13873	7.0
223.13431	3.8
253.09319	32.6
270.25555	2.9
275.20233	3.5
293.21213	100.0
335.70447	2.4
341.26968	8.2
460.85425	2.3
485.31030	4.2
503.32227	9.9
545.33411	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	591.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
62.83870	0.1
71.01387	0.2
71.44426	0.2
73.02950	0.3
78.95887	0.7
79.95737	2.9
89.02452	0.2
96.96011	100.0
101.02442	0.2
109.45852	0.1
125.02444	0.3
152.99593	0.3
171.10268	0.4
192.00618	1.4
193.01398	0.8
200.03258	0.2
207.03018	0.5
241.01146	0.2
247.96439	0.5
248.97192	0.8
263.95877	1.6
289.97458	3.4
290.98065	0.3
302.49548	0.2
316.02274	0.2
323.00818	0.5
487.15689	0.2
493.10129	1.3
531.04718	0.5
576.04352	1.8
591.06506	1.1
591.21057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53491	1.8
57.36179	1.5
59.01382	2.3
108.02170	65.1
109.02975	15.0
125.02450	5.0
143.03548	1.6
144.14301	1.5
151.04120	3.5
152.01157	58.7
153.01920	27.7
165.01912	1.8
177.01929	3.3
177.64706	1.6
193.20732	1.5
225.07642	2.7
240.16725	1.6
285.06168	100.0
305.06516	2.2
327.06940	2.2
381.88211	1.8
387.13052	1.7
434.22049	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	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.6
59.01377	7.2
63.83329	0.7
64.44563	0.7
71.01372	5.6
77.28510	0.7
81.03413	1.5
83.01385	1.7
85.02972	1.1
89.02463	3.5
93.03475	1.5
94.68816	0.7
95.01403	1.0
95.05045	1.3
95.84869	0.6
96.96004	3.7
97.02944	1.5
98.95551	0.9
99.00877	0.7
101.02452	2.5
105.03462	2.0
109.02959	3.1
110.03729	0.7
111.00908	1.3
111.04549	1.3
113.02475	2.3
115.00350	5.3
119.03506	1.8
121.02935	3.2
122.03737	10.4
123.00900	1.0
123.04526	2.7
124.01672	1.1
125.02445	60.6
126.02810	1.4
133.01442	14.4
133.03006	1.2
135.04556	2.9
136.05316	3.2
137.02444	5.7
137.06091	1.8
138.03224	14.1
139.04015	3.0
148.05307	2.1
149.02461	3.5
149.06142	1.0
150.03259	1.2
151.04007	11.0
152.04778	1.8
159.04597	0.8
161.02443	9.2
161.04570	1.0
161.06042	0.8
163.00389	3.1
163.03970	1.3
164.01143	1.5
164.04817	0.9
165.01936	2.3
165.05569	8.5
166.02713	0.9
167.03502	3.7
169.01436	18.2
170.01740	0.8
175.00378	2.0
175.03996	5.3
177.01926	36.4
177.05550	2.2
177.12833	1.2
178.02316	1.1
179.05589	1.5
183.04570	1.1
187.04018	1.5
189.01830	1.6
190.09996	4.4
191.03502	2.1
191.10739	0.9
193.05087	1.5
199.04010	3.6
201.01976	1.8
201.05577	2.1
203.03563	1.4
203.10756	2.7
205.05035	1.1
205.12323	29.7
206.12752	0.8
211.04028	1.1
213.05699	0.8
215.03542	1.4
217.05099	3.0
219.02975	1.7
220.11005	0.9
221.11819	10.5
222.12491	1.6
225.05460	0.9
227.03448	2.0
229.01581	1.2
229.05246	0.8
231.10280	3.8
239.12891	1.6
243.02942	15.3
244.03485	1.4
248.10654	0.9
249.11307	27.8
255.02988	3.3
256.03864	0.9
257.04575	1.5
261.04053	2.5
265.10861	2.8
266.11603	22.3
267.12357	100.0
268.12698	1.8
269.04593	4.1
273.04306	1.3
279.12125	0.7
283.02481	1.8
285.04019	3.3
287.05630	10.6
291.12396	2.3
297.04260	1.3
301.03574	4.5
303.05151	3.3
305.06680	3.2
309.13486	1.8
313.03613	1.7
337.07156	0.9
405.05862	2.1
407.07449	0.9
423.07227	10.8
424.07971	0.8
429.17609	55.3
430.17844	2.1
439.06464	0.9
452.07516	0.9
453.08145	1.4
457.07507	1.5
465.08286	2.8
470.35815	0.8
471.18652	1.5
534.40503	0.8
573.10138	0.9
591.11871	4.9
591.22876	61.9
592.23047	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	591.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65668	1.7
54.18526	1.5
55.37593	1.5
59.01377	100.0
61.98832	14.6
69.38911	5.5
69.39313	3.2
71.01385	8.4
73.02941	3.2
80.91712	1.6
82.95425	3.0
83.01406	2.1
85.02939	3.0
89.02423	4.6
101.02429	5.9
103.00359	7.9
103.01495	87.0
113.02430	2.1
124.93402	1.6
125.02446	4.3
161.04498	2.2
201.10988	2.2
219.13849	2.1
241.26509	1.7
265.14206	2.4
282.36789	1.8
362.79117	1.8
399.23724	8.0
531.28015	19.8
564.49744	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	591.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17669	0.1
58.94574	0.1
58.95303	0.1
59.01374	2.0
61.98818	0.5
68.80803	0.1
69.09129	0.4
69.09546	0.5
71.01376	1.1
85.02940	0.2
89.02448	1.0
95.01373	0.3
96.02164	0.9
101.02433	0.6
108.02161	2.7
109.02947	0.4
113.02437	0.4
114.54420	0.1
119.03484	0.2
123.00881	0.4
124.00823	0.2
124.01659	2.7
125.02469	0.2
130.44754	0.1
136.01660	0.5
137.02437	0.4
138.03206	0.3
150.03181	0.3
151.00410	0.1
152.01152	4.5
153.01956	1.0
165.01915	0.2
166.02759	1.0
166.97351	0.1
167.14429	0.1
179.05754	0.2
181.74387	0.1
184.00140	0.4
193.15967	0.1
219.13690	0.2
221.15451	10.7
222.15805	0.2
223.24083	0.1
237.14946	4.4
247.13338	0.2
249.14937	46.1
250.15392	1.5
251.16513	1.8
263.16577	0.3
265.14426	100.0
266.15082	8.1
267.15961	2.8
277.14554	0.3
278.15051	0.1
279.15988	2.7
291.15881	0.3
293.17453	0.2
303.15955	0.1
321.17053	0.3
346.08047	0.1
375.95956	0.1
393.19269	0.1
411.20154	2.1
413.21484	0.2
428.20459	25.2
429.21146	4.0
430.21649	0.2
440.20364	0.2
441.21393	0.1
531.28131	0.7
591.26532	17.7
592.26758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40143	1.2
54.76090	1.2
55.87675	1.2
57.03436	2.2
58.00589	2.0
59.01376	100.0
63.28109	1.2
69.49670	5.3
71.01381	48.9
72.99293	2.5
73.02940	15.2
83.01382	4.9
85.02949	10.6
87.00877	3.4
89.02444	54.2
95.01396	5.4
96.96027	3.7
97.02911	1.7
98.22644	1.9
99.00893	2.4
101.02448	32.0
113.02444	27.1
116.92858	1.6
119.03493	19.0
123.04462	1.4
125.02453	15.6
131.03552	2.5
137.02446	2.8
137.09706	1.5
143.03511	5.3
149.04541	2.8
151.04008	1.5
153.01907	1.4
153.09166	1.6
161.02426	1.4
161.04588	10.7
163.06181	3.0
165.05505	2.0
167.03394	1.7
169.01410	3.0
175.00414	1.3
177.01947	9.1
179.05598	26.9
187.09845	1.9
205.12358	3.6
222.78690	1.3
261.04037	1.3
267.11377	1.3
287.05530	1.6
301.03641	1.4
317.71915	1.4
328.65317	1.4
369.19147	4.5
387.19971	2.1
531.24365	17.3
547.23401	3.0
549.25787	6.2
591.10413	1.8
613.12665	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	591.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
59.01376	100.0
61.98499	2.2
61.98827	49.5
69.03450	7.6
69.16299	5.2
69.16705	6.1
71.01377	76.2
72.99308	2.1
73.02953	12.3
81.03486	2.3
82.95449	1.8
83.01407	9.6
85.02937	15.8
87.00858	6.9
89.02442	71.1
95.01403	4.6
97.02956	10.0
99.00868	4.3
101.02436	56.9
113.02448	29.1
119.03497	36.5
125.02439	41.4
131.03491	8.4
136.05289	8.5
139.04010	3.2
143.03490	14.1
149.04529	2.7
150.06720	2.2
161.04529	18.9
167.03497	2.9
179.05598	26.2
190.02748	2.7
191.37764	2.1
192.11525	7.2
207.13853	21.5
221.06625	22.7
230.55887	1.8
250.40833	2.0
263.07651	9.7
265.14383	3.4
287.05627	2.3
323.09814	70.1
399.23779	8.5
436.10651	2.1
531.28058	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44492	0.7
55.01887	0.8
57.03444	1.8
58.32630	0.7
58.47311	0.7
59.01380	21.8
61.98819	4.0
64.69212	0.7
68.87755	0.8
69.03458	1.2
71.01384	23.4
71.08095	0.8
71.60106	0.7
72.99284	0.9
73.02955	9.4
81.05340	0.8
82.95416	0.9
83.01393	3.3
85.02954	9.2
89.02441	16.2
95.01376	1.5
97.02945	3.0
99.00881	6.1
100.32619	0.7
101.02442	19.3
102.58101	0.7
111.00890	2.3
112.29087	0.9
113.02454	10.7
115.03957	1.4
119.03503	1.6
125.02474	7.9
131.03511	2.1
137.02367	0.9
137.98866	0.8
143.03499	1.5
149.04552	3.7
150.03210	2.8
153.01920	0.9
159.03030	1.5
161.02466	1.2
161.04527	5.7
165.05595	2.3
169.01489	0.9
179.05595	1.1
191.05542	1.4
207.10240	2.5
219.17613	1.2
233.06712	2.1
235.59978	0.8
237.18593	3.6
243.80556	0.8
293.08795	2.7
307.15747	0.9
323.14920	1.7
399.23999	4.6
429.21982	0.9
486.18216	1.1
507.20203	1.4
531.28064	100.0
532.28357	6.3
555.22723	0.9
591.12256	0.9
591.26318	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	591.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	6.4
59.01371	31.9
61.98828	48.1
69.29446	13.4
69.29810	5.9
71.01381	32.3
72.99307	3.6
73.02946	12.8
77.77274	4.0
80.75156	3.5
82.95423	5.6
83.01376	7.2
85.02943	14.7
88.98814	7.4
89.02447	11.2
94.87558	3.0
99.00858	5.5
101.02445	23.2
104.07678	2.7
109.02986	5.4
111.00875	3.4
113.02448	11.5
116.66582	3.2
124.01620	3.1
125.02441	66.3
131.12701	3.0
137.02440	7.1
153.01907	3.8
161.02422	20.2
161.04562	11.4
165.19948	2.8
167.03465	6.7
169.01418	5.2
177.01842	3.4
192.00609	9.6
207.02962	5.8
207.94704	3.3
269.04416	5.4
287.05573	11.8
381.45294	3.6
389.34619	3.6
399.23715	15.4
531.28174	100.0
532.28381	5.4
563.28363	3.8
591.22589	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	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03439	3.0
59.01378	100.0
61.98825	4.1
69.03477	0.9
71.01382	15.2
73.02948	6.3
83.01401	5.5
85.02946	8.1
85.09445	0.6
87.00903	1.1
88.98835	0.7
89.02458	1.5
92.68822	0.6
93.53731	0.6
95.01402	1.2
97.02969	1.4
99.00896	2.4
101.02439	10.5
101.03070	0.6
111.00864	1.3
113.02457	7.5
115.04002	0.7
125.02453	5.7
129.02002	0.6
134.63808	0.5
143.03546	1.8
159.03020	1.0
161.02460	2.1
161.04605	1.9
169.01428	0.7
197.15454	0.8
252.31352	0.6
279.23383	1.0
287.05777	1.5
297.24338	4.9
307.90991	0.6
343.28491	7.6
361.38306	0.6
467.08759	0.7
487.32724	61.5
488.32983	3.4
505.13556	0.9
505.33853	26.0
506.34592	1.8
531.27979	9.8
547.35767	1.2
591.31250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88276	1.0
55.01873	3.0
56.06193	1.1
69.34035	5.6
77.87548	0.9
90.60345	1.0
95.01414	2.4
111.00889	18.6
123.00881	1.2
128.38249	1.1
137.99544	1.3
139.00377	69.7
153.01918	4.5
166.99867	12.3
181.01382	9.7
252.30241	1.2
343.95520	1.3
346.83185	1.2
357.37872	1.2
473.22061	2.5
488.24146	1.6
503.26376	4.3
513.83978	1.1
517.28271	2.2
518.28583	5.6
531.25793	4.3
533.27441	2.7
546.28290	28.1
547.28656	2.6
561.30621	41.7
576.32996	100.0
577.32928	3.0
591.35345	70.9
592.35376	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	592.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
59.01378	2.4
61.98827	100.0
71.01370	2.0
71.01652	0.2
72.01718	0.3
73.02952	0.9
83.01396	0.3
85.02959	0.8
89.02456	0.8
98.21894	0.6
99.00879	0.3
101.02449	1.8
113.02465	0.8
125.02494	0.2
131.03542	0.3
136.18523	0.2
149.04553	0.4
159.02940	0.2
161.04601	0.8
223.85982	0.2
233.82961	0.2
235.33192	0.2
399.23810	1.0
400.24155	2.3
531.28162	0.4
532.28363	5.5
532.35968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.0
61.98828	100.0
69.25411	1.4
69.25833	0.6
71.01374	3.0
71.11669	0.3
72.01738	0.4
73.02947	1.0
77.00368	0.3
82.95438	0.3
83.01385	0.4
85.02962	1.1
88.98817	1.0
89.02460	1.3
96.96010	0.5
99.00896	0.5
101.02440	2.4
113.02479	1.5
125.02470	0.9
133.85051	0.3
161.02493	0.4
161.04608	0.6
265.29935	0.4
354.67731	0.3
383.94977	0.4
396.64725	0.4
399.24155	0.6
400.24280	1.2
430.21561	0.4
523.42694	0.4
531.28217	0.6
532.28308	5.4
592.26514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00454	0.2
53.98605	0.2
59.01376	1.6
61.98829	100.0
69.46214	0.9
71.01380	1.4
72.01733	0.4
73.02954	0.2
82.61589	0.2
82.95417	1.5
83.01376	0.3
85.02953	0.4
89.02454	0.6
90.05380	0.2
101.02479	0.5
112.19143	0.2
113.02475	0.4
131.03485	0.2
161.04576	0.4
234.85374	0.2
236.44904	0.2
372.17416	0.3
399.23865	0.5
400.24316	1.1
531.28223	0.4
531.89374	0.2
532.28320	2.2
592.26935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16344	0.3
54.85335	0.3
61.98827	100.0
69.10658	1.2
69.11063	0.8
76.65643	0.3
80.96540	0.7
102.22601	0.3
169.01422	0.7
214.05322	0.3
217.25252	0.3
232.12392	0.3
252.58418	0.3
357.66360	0.3
447.27585	0.3
450.75418	0.4
490.37482	0.3
513.66528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88884	0.4
59.37199	0.4
59.82845	0.4
61.98828	100.0
69.13921	2.6
77.02819	0.4
80.74230	0.5
116.92837	0.4
265.14621	0.6
326.09387	0.5
338.96228	0.5
404.40277	0.4
511.30322	0.8
518.37439	0.5
554.27393	0.9
556.26898	0.5
601.04260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24026	0.9
52.52320	0.9
57.03445	14.3
65.03934	0.9
69.43360	4.0
81.03464	2.9
83.01378	4.4
93.03449	1.8
95.01402	1.2
95.05017	2.2
97.02953	3.3
105.03466	1.1
107.05025	2.6
108.02155	1.1
109.02947	18.2
111.04546	6.5
111.54688	1.1
113.77882	1.3
121.02928	6.1
122.03788	1.3
123.00871	3.2
123.04519	8.3
124.01633	1.4
125.02442	100.0
131.05002	1.4
133.02940	4.6
135.04501	1.9
137.02432	27.0
139.03993	9.6
145.02921	1.3
146.03661	1.2
149.02437	7.8
151.03995	13.1
159.04460	3.4
161.02414	14.4
161.06030	2.8
162.03209	2.6
163.04004	3.3
164.01140	4.2
165.01917	11.0
167.03487	7.7
175.03979	17.0
176.01199	1.6
177.01915	63.6
178.02454	1.9
179.03511	10.2
187.04013	7.8
189.01997	1.4
189.05611	1.3
191.03571	2.0
193.05026	1.5
199.03973	4.1
201.05537	1.4
203.03461	2.4
203.07117	5.3
204.04219	1.4
205.01384	2.5
205.05032	3.1
211.03973	3.5
213.05594	1.8
215.03476	3.7
217.05074	6.4
219.03006	1.9
219.06641	5.1
221.04520	2.9
227.03465	3.5
228.04218	2.9
229.04984	5.5
243.00615	1.8
243.02977	19.9
243.05730	1.4
243.06465	1.5
245.04536	3.5
245.08217	6.1
251.09161	1.7
252.53261	1.3
253.04991	1.8
253.08363	1.1
255.02975	28.8
256.03705	9.8
257.04449	3.6
261.04019	3.2
267.08755	1.8
269.04501	3.6
271.06070	1.4
273.04013	6.5
281.04547	2.0
282.01651	1.4
283.02496	11.6
285.04044	5.1
287.01895	1.1
287.05417	6.2
288.02664	1.3
289.07159	33.8
297.04016	8.0
299.05505	2.8
303.05112	4.8
305.06659	38.1
306.06699	1.1
315.04965	1.6
339.08621	2.8
381.09607	1.9
394.75140	1.3
397.09247	2.5
405.05875	2.8
407.07681	38.7
423.07166	79.1
424.07480	3.1
425.08780	17.5
426.09836	1.3
441.08328	8.4
467.09763	11.6
488.48215	1.2
575.12030	2.3
593.12781	8.9
593.21320	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	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	12.7
57.51994	0.9
58.60435	1.0
60.47400	1.0
69.03442	1.1
74.33592	0.9
81.03455	1.4
83.01391	3.0
93.03454	2.7
95.01397	1.0
95.05003	1.4
97.02932	3.4
98.21867	2.3
107.05001	1.5
109.02947	11.9
111.04486	4.8
121.02942	3.7
123.00850	3.1
123.04512	4.7
124.01685	1.7
125.02444	100.0
126.02794	2.5
128.69270	1.0
133.02942	3.5
135.04555	1.4
137.02441	21.1
138.03212	2.0
139.04012	10.3
149.02400	5.4
149.06047	1.2
150.03221	1.2
151.04044	7.2
159.04448	1.9
161.02441	14.6
161.06026	1.2
161.72572	1.0
162.03296	1.1
163.00368	1.7
163.04042	2.5
164.01173	5.4
165.01912	12.6
167.03490	10.7
167.67731	1.0
169.01355	1.7
171.53175	1.0
175.04008	7.6
177.01921	32.2
177.05553	3.1
179.03473	8.2
187.04012	4.2
188.04764	1.1
189.05550	1.0
193.05063	2.0
193.41460	1.0
199.04037	1.3
200.04581	1.0
201.05627	2.4
203.03539	2.0
203.07266	1.9
204.04405	1.4
205.01456	1.7
205.05125	1.9
211.03969	1.7
213.05551	1.3
215.03476	2.0
217.05035	2.5
219.02951	1.6
219.06586	6.5
221.04573	3.2
221.08168	1.2
225.05501	1.2
227.03528	1.5
228.04272	1.7
229.04970	2.6
237.63557	1.1
243.03026	8.5
245.04568	6.2
251.09384	2.1
253.07072	1.7
255.02969	14.5
256.03757	3.9
257.04453	2.3
259.05838	1.2
261.04019	2.3
261.07477	1.9
267.08899	1.5
269.04526	4.2
273.04074	4.5
282.01559	1.8
283.02457	8.6
285.04108	3.2
287.05612	7.5
289.07199	14.4
297.04007	4.6
299.05600	2.2
303.05139	2.7
305.03046	2.3
305.06638	48.4
306.06943	1.5
352.25293	1.1
355.08160	1.3
397.08887	1.5
407.07718	14.1
423.07162	59.1
424.07159	1.9
425.08759	8.9
431.15573	1.9
441.08112	6.5
467.09879	12.4
575.11877	2.1
593.12854	7.4
593.20941	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	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01074	0.2
76.03172	0.2
77.03962	0.2
91.01959	0.2
120.02151	3.0
120.24358	0.1
121.02950	100.0
122.03282	1.0
134.02220	0.1
136.01651	0.3
136.47423	0.1
161.24641	0.2
165.01923	3.9
179.05061	0.2
180.05795	0.6
181.06587	2.2
197.06085	1.7
199.07625	0.2
207.04510	0.9
207.08096	0.3
209.04533	55.9
210.04823	0.6
223.04001	0.3
225.05528	1.6
241.45381	0.2
251.07072	0.3
257.09842	0.4
285.09061	0.2
293.17657	0.2
295.06238	0.2
301.08673	0.3
313.07123	2.0
329.08057	0.2
329.11768	0.2
339.08734	0.1
357.06168	1.0
373.10724	0.3
383.07687	1.1
401.08621	0.2
410.64951	0.2
417.09741	1.4
505.04288	0.2
505.11459	3.0
506.11942	0.2
549.10370	6.7
550.10730	0.4
593.12946	11.9
594.13440	0.4
614.31464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.7
71.19640	1.2
81.03477	3.1
83.01388	3.0
93.03462	2.2
95.01382	1.3
95.05051	1.7
97.02959	3.0
107.05031	1.4
109.02950	10.8
111.04531	5.9
111.58500	1.0
121.02969	3.0
123.00882	2.7
123.04543	2.5
124.01653	3.5
125.02444	100.0
126.02781	1.4
131.04990	1.5
133.02962	2.6
135.04442	1.2
137.02437	24.6
138.03214	2.6
139.04012	11.7
149.02428	4.3
150.03273	1.1
151.03992	6.0
156.21652	1.1
159.04489	3.3
161.02444	21.4
162.03210	1.6
163.04030	2.4
164.01147	6.2
165.01909	14.7
167.03484	13.7
173.06113	1.2
175.04021	8.4
177.01923	16.1
177.05550	3.5
179.03516	8.8
181.19301	1.1
187.04012	3.9
191.03468	1.6
191.07159	1.1
199.03952	1.8
201.05551	2.1
203.03522	2.9
204.04367	1.6
205.01419	3.0
205.05009	1.7
211.03958	1.7
215.03516	2.4
217.05101	2.9
219.06624	8.6
221.04549	4.5
225.05501	1.7
227.03557	2.2
229.05070	4.0
243.02992	7.5
243.06425	1.6
245.04652	5.5
253.04942	1.3
255.02992	18.1
256.03708	4.5
257.04449	3.9
261.07678	2.9
267.08893	1.3
269.04575	4.5
273.04047	3.9
282.01889	1.2
283.02557	9.5
285.03976	3.5
287.05594	6.3
289.07166	7.9
297.04089	5.5
299.05554	2.1
305.06653	61.4
306.07089	1.2
306.62250	1.0
347.07773	1.3
397.09055	1.9
407.07813	3.3
423.07190	61.9
424.07309	1.8
425.08844	5.8
430.40393	1.1
441.08344	7.6
467.09882	14.7
537.43884	1.3
575.12012	2.5
593.12958	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	593.1296
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
51.60425	1.0
54.91845	1.0
57.03450	10.4
59.01377	9.8
61.98817	1.0
71.01351	4.7
73.24657	1.0
81.03450	1.1
83.01379	3.2
86.00272	1.0
89.02448	4.7
93.03442	2.4
95.01407	1.2
96.96017	1.7
97.02970	2.1
101.02441	4.6
107.17110	1.1
109.02950	10.2
110.89246	0.9
111.04493	3.5
113.02425	1.7
121.02963	3.2
123.00887	2.8
123.04511	3.0
124.01610	2.7
125.02446	100.0
125.60126	1.1
126.02778	2.1
133.02937	2.0
134.03711	1.6
135.00922	1.1
135.04504	2.3
136.57520	0.9
137.02444	25.0
138.03168	1.3
139.03984	7.7
147.04494	1.4
149.02509	4.7
150.03159	1.4
151.04062	6.1
159.04451	1.4
161.02448	15.6
161.04558	1.9
161.05939	1.3
162.03171	1.4
163.00349	1.3
163.03964	1.5
164.01089	3.3
165.01920	10.8
166.02704	1.5
167.03500	12.0
169.01459	5.0
172.40683	1.2
175.04001	6.5
175.07671	1.2
177.01926	28.3
177.05516	1.9
178.02574	1.2
179.03467	8.2
179.05559	2.1
185.06136	1.2
187.03947	3.5
191.03555	1.7
193.05089	1.5
201.05615	1.6
203.03510	2.7
203.07161	2.0
204.04263	2.1
205.01437	2.3
205.05081	1.7
206.08224	1.0
215.03505	1.8
217.04924	2.6
219.06609	5.5
221.04463	3.3
227.03438	1.3
228.04169	1.3
229.04961	2.9
243.02989	5.6
245.04494	3.6
245.08182	2.3
253.10831	2.3
255.02953	9.5
256.03616	3.1
257.04556	1.9
261.07501	1.9
269.04504	1.7
273.04019	3.6
283.02451	8.4
285.04019	6.9
287.05560	5.5
289.07181	11.7
297.03952	3.3
299.05447	3.5
303.05026	2.8
305.06638	47.9
306.06992	1.5
388.95865	1.2
389.15945	2.3
405.05914	1.7
407.07693	7.9
423.07162	35.7
424.07626	2.4
425.08804	10.3
441.08609	7.2
467.09839	13.1
518.48535	1.1
533.26196	1.8
547.27673	4.6
558.42877	1.1
575.11694	2.4
593.13318	9.4
593.27948	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01382	5.6
61.98830	2.2
70.74065	0.5
71.01371	2.6
73.02953	0.8
75.00891	0.5
75.27579	0.6
81.03479	0.6
83.01422	0.8
85.02962	1.0
88.98818	2.2
89.02464	1.5
95.01412	1.0
96.96033	1.1
97.02933	0.9
101.02469	1.2
105.03459	0.6
105.43628	0.6
108.02145	0.9
109.02930	1.2
111.04526	0.6
113.02486	1.0
118.65373	0.5
119.05035	1.0
121.02953	17.3
123.00902	1.1
123.04533	0.9
124.01668	2.2
125.02448	24.9
126.02792	1.4
131.46077	0.6
133.02948	1.5
136.01614	1.0
137.02481	1.3
138.03212	2.3
139.00357	0.6
139.04091	0.7
145.02931	1.1
146.03770	0.6
146.91249	0.6
149.02466	1.5
152.01131	0.6
161.02440	11.6
162.03207	9.6
163.04027	1.4
164.01161	2.2
165.01907	1.6
166.02664	0.7
167.03462	1.1
168.00653	0.9
169.01421	36.4
170.01775	2.8
171.01944	0.8
173.02477	1.3
175.00294	0.9
175.03995	1.0
177.01920	3.7
178.99942	1.1
179.03448	1.0
179.07162	1.8
180.00674	0.7
180.08578	0.6
188.04779	0.7
189.01918	3.3
190.02715	20.2
191.03500	0.8
192.00650	20.0
193.01428	4.6
194.02191	1.5
203.03491	1.0
204.00632	1.5
204.04276	1.0
205.01437	10.9
206.00203	0.7
206.02194	15.6
207.02983	16.1
217.01401	2.3
219.02969	1.4
219.06599	0.8
221.00882	0.6
222.01808	0.6
225.03955	0.8
225.15057	1.7
232.03741	2.2
233.00746	1.7
234.01682	73.8
235.02135	2.1
238.21034	0.6
245.00951	1.1
247.02428	0.7
248.03238	0.6
249.04022	100.0
250.04440	1.4
258.01688	0.9
267.63187	0.6
276.02731	2.4
291.05286	3.3
305.06705	1.3
327.07047	1.3
345.22729	0.9
385.12851	1.0
389.25449	0.6
403.13858	2.3
409.11102	0.7
471.11417	6.0
533.29449	0.8
534.60974	0.7
549.29523	0.7
555.15027	2.8
557.15381	0.7
578.12500	2.3
593.14978	33.5
593.22498	1.9
594.15533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26564	0.9
57.18180	1.0
59.01379	18.2
61.98831	1.5
65.97289	0.8
69.47947	3.7
71.01382	5.2
71.08042	0.9
73.02941	2.6
83.05035	2.0
85.02967	2.5
87.00848	1.2
89.02446	1.2
101.02444	3.9
105.03483	1.9
108.17416	0.9
109.02952	1.5
113.02453	3.5
121.02956	10.7
123.00942	1.1
123.04497	1.1
124.01636	1.3
125.02446	10.1
133.02957	4.0
135.00885	1.7
135.04453	1.1
137.02425	3.1
148.01651	1.0
149.02446	7.1
151.03998	2.3
160.01672	2.1
161.02469	6.9
162.03156	1.5
163.00359	7.3
163.04016	1.8
164.01147	3.2
165.01924	6.6
166.02687	1.6
169.01404	2.1
176.01163	1.1
177.01907	15.6
178.02658	5.0
178.99760	1.4
179.03442	1.6
179.06941	1.3
189.01924	5.5
190.01190	1.1
190.02618	5.6
190.99847	25.0
191.03450	1.2
192.00635	70.5
193.01407	56.6
193.05031	1.5
194.02142	7.6
203.03638	0.9
204.00565	2.3
205.01430	18.9
206.02226	2.5
207.02974	100.0
208.03416	1.3
209.04509	2.8
221.00928	4.2
222.01649	4.3
225.16052	2.9
233.00900	22.1
233.53236	1.2
234.01712	12.3
235.02507	3.3
237.03966	6.9
249.04004	9.3
286.29791	1.1
287.05566	3.8
339.07269	1.2
345.22784	2.3
354.05893	9.2
355.06729	2.9
356.07333	7.8
367.27106	1.7
369.08081	5.4
389.25482	1.1
396.07071	1.9
399.09265	3.5
411.09283	2.0
415.06458	2.0
417.08191	2.5
423.06934	1.2
431.09799	22.1
432.10339	1.3
451.32925	5.4
503.19138	4.0
509.34161	1.0
515.19232	4.6
521.20276	3.1
533.19952	5.0
549.29187	2.0
561.12549	2.3
563.21460	8.3
575.21173	6.4
578.12701	11.2
593.15088	55.4
593.31580	12.7
593.43530	3.4
594.15515	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	593.1508
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.52531	0.4
51.63330	0.4
57.03450	0.6
59.01382	3.1
61.98814	0.9
63.02422	0.5
65.00333	0.6
67.17715	0.4
68.05613	0.4
69.14073	2.8
73.02998	0.5
83.01401	0.5
83.49412	0.5
85.02958	0.6
89.02454	1.2
93.03474	1.1
96.95990	0.7
101.02443	0.6
102.42246	0.4
107.01382	2.1
109.02962	1.3
119.03447	0.5
125.02448	4.1
128.90144	1.1
132.02179	1.0
135.00873	1.3
137.02472	1.0
151.00360	2.8
153.01924	0.7
154.04163	0.5
156.39989	0.4
157.06572	0.6
159.04492	1.0
161.02431	1.0
163.00319	2.7
164.01173	0.7
165.01888	0.8
167.03543	0.5
169.06653	1.1
173.06029	0.5
178.99858	0.7
183.04538	0.8
185.06055	2.0
187.03992	3.0
189.05540	1.0
191.10764	1.8
195.04489	0.8
196.05255	0.4
197.06067	0.7
198.02954	0.5
199.04065	1.0
201.05482	0.5
209.11806	4.8
211.04019	2.5
213.05525	2.0
227.03491	31.3
228.03851	0.7
229.05032	10.9
229.07129	0.9
239.03526	2.4
240.04161	0.6
241.05034	1.5
251.45328	0.4
255.02965	56.6
256.03677	5.1
257.04568	6.8
267.02872	1.0
269.04697	0.5
283.02298	0.5
284.03247	66.5
285.04022	93.2
286.04443	1.3
327.04965	1.1
371.17026	10.3
593.15076	100.0
594.15057	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	593.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85247	1.1
57.03436	1.2
59.01381	9.5
65.17883	1.1
66.46747	1.1
69.14079	7.1
71.01376	3.8
75.43880	1.0
85.02937	2.5
89.02450	2.3
95.01415	2.3
95.05032	1.7
96.96011	1.6
97.06594	2.1
99.00869	2.8
101.02409	2.9
107.05035	2.0
109.06566	2.4
111.00864	2.1
111.88791	1.2
113.02435	2.3
119.04993	1.7
121.06608	1.8
123.00893	3.2
124.01633	3.5
124.98794	5.3
125.02422	5.2
136.01630	4.1
137.02419	3.3
139.00348	9.5
149.06052	3.4
151.00366	3.8
151.04021	1.2
152.01125	4.2
152.98206	2.0
153.01912	4.0
153.05527	1.7
163.03986	2.7
163.07675	1.3
165.01938	1.6
165.05565	48.5
166.99838	3.0
168.00607	2.4
169.01422	9.2
174.03227	1.3
175.03954	2.2
177.01877	2.2
177.05569	4.0
179.03462	2.1
179.07111	2.4
180.04268	1.5
181.01410	6.4
181.05057	8.7
182.02237	1.9
191.03519	9.0
192.04280	17.5
193.05049	100.0
194.05565	1.6
195.02855	2.0
195.06537	1.7
197.04485	1.6
207.03033	3.0
207.06628	15.4
208.03734	8.9
209.04564	23.7
209.07826	1.4
210.05301	11.4
211.06079	2.8
223.06151	6.4
225.04010	20.3
225.07458	1.9
226.04752	3.6
227.05560	3.9
231.06776	1.3
236.03160	1.6
237.04022	18.0
239.05620	11.2
241.07222	3.7
249.07556	1.7
251.05556	19.4
253.03531	15.7
253.07109	4.6
254.04327	19.2
255.05124	8.6
267.04990	4.9
268.05850	5.4
269.06653	88.4
270.06802	1.5
281.06461	1.5
283.08160	2.8
293.06686	2.3
305.06766	2.2
311.07581	3.7
355.10413	1.9
369.11954	1.5
371.09836	4.3
391.53577	1.2
399.09317	36.8
399.14374	1.2
401.10544	2.7
413.10214	1.5
416.09509	5.1
418.11334	1.6
423.07410	2.3
427.86502	1.2
431.11902	94.3
432.12329	2.3
433.13110	1.5
593.17273	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	593.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29438	0.4
57.03438	3.0
59.01378	5.8
69.03448	0.5
69.39926	1.1
69.40310	1.0
71.01385	3.4
73.02951	0.6
83.01400	1.6
83.05006	0.6
84.39138	0.4
85.02945	1.3
89.02451	2.2
93.03471	0.7
95.01371	1.2
96.73284	0.4
97.02940	1.4
98.22728	0.5
101.02473	2.1
107.05035	0.9
108.02164	0.9
109.02950	3.9
111.00898	1.2
111.04499	1.5
113.02460	1.8
119.03482	0.7
120.85875	0.5
121.02956	3.1
122.03738	1.6
123.00875	1.3
123.04502	1.6
124.00737	0.6
124.01662	16.0
125.02449	24.3
125.09686	1.1
126.02769	0.7
133.02945	0.7
134.03760	0.9
135.04544	0.8
135.08165	0.8
137.02440	6.8
137.06052	1.1
137.09743	0.6
138.03226	2.9
139.00372	3.9
139.04018	2.3
147.04594	0.8
149.02473	1.9
149.06090	0.6
150.03241	2.2
151.04037	5.1
152.01117	1.4
159.04527	0.6
161.02429	3.2
161.04573	1.0
161.05981	0.6
161.09727	1.1
162.35956	0.4
163.04071	0.7
163.11269	0.7
164.01106	1.0
164.04800	0.9
165.01968	2.2
165.05693	0.4
165.09126	0.9
166.02768	0.6
167.03502	2.6
169.01451	0.8
171.08153	0.5
175.04030	3.3
177.01933	10.0
177.05507	1.5
177.09195	3.0
178.02374	0.8
179.03514	1.9
179.05476	0.7
179.10767	1.0
181.05096	0.8
183.88629	0.5
187.04022	0.8
187.07719	1.0
189.09215	9.1
191.07172	2.3
192.07906	7.7
193.05046	1.1
193.08609	0.9
199.04031	1.2
203.07068	0.6
205.08681	6.7
207.10262	11.6
208.07309	0.9
211.04089	0.7
215.03578	0.6
217.05040	1.3
219.06651	0.7
221.04614	0.6
221.08241	3.9
222.44049	0.4
223.09810	0.6
227.03546	0.7
229.04997	1.0
233.08246	3.4
237.07651	0.5
239.09248	5.5
243.02974	4.8
244.03577	0.7
244.19574	0.5
245.04637	0.7
245.08226	0.7
251.09236	88.9
252.06445	1.0
252.09590	1.3
253.07184	4.1
253.10677	0.7
255.03023	5.9
256.03601	1.1
257.04489	1.1
259.50024	0.5
261.04028	1.2
265.10809	0.6
267.08728	100.0
268.09460	10.7
269.04636	0.5
269.10220	1.5
273.04019	0.9
281.10187	1.7
283.02441	1.7
285.04031	0.6
287.05573	1.0
289.07086	3.4
293.10342	2.8
297.04129	0.8
299.05576	0.7
303.05042	1.2
305.06656	6.1
305.10016	0.8
315.05264	0.7
339.08557	0.7
400.53143	0.5
405.06204	0.8
407.07462	2.1
413.14490	1.8
415.06912	0.5
423.07202	14.0
425.08484	1.6
430.14789	20.6
431.15561	9.7
441.08316	1.2
467.09723	3.1
593.13629	2.5
593.20874	57.1
594.21118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01383	6.5
69.24762	6.1
71.01374	3.3
79.95737	3.0
82.95397	1.2
85.02947	2.1
89.02447	2.8
96.96010	100.0
98.22668	1.9
99.00905	1.1
101.02415	3.1
107.24786	1.0
109.02953	2.2
116.92870	1.3
121.02895	3.3
121.67554	1.0
125.02448	9.0
126.02824	1.3
128.90123	1.2
137.02428	2.3
137.58507	1.2
148.84174	1.0
151.03954	1.4
161.04608	1.2
165.01945	1.1
167.03398	1.5
169.01341	1.6
175.03990	2.0
176.04346	1.0
177.01907	4.0
178.02205	1.1
193.05125	1.4
209.04468	1.7
217.05264	2.7
223.13345	9.3
235.31474	1.0
239.05559	1.8
243.02924	1.4
244.03352	1.3
261.04361	48.9
262.04596	1.2
308.11127	1.1
356.61658	1.2
385.18491	1.6
425.07922	1.3
431.22995	1.5
464.91769	1.2
547.27283	1.9
593.28259	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	593.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.9
59.01379	36.9
61.98827	12.8
66.27822	1.1
71.01377	28.9
71.44683	1.1
72.64310	1.3
73.02937	4.5
75.12868	1.2
81.03471	1.2
82.89931	1.4
83.01381	4.4
83.61768	1.1
84.95116	1.8
85.02948	10.0
87.00867	2.8
89.02440	20.6
93.03440	2.5
95.01385	2.8
96.96027	5.8
97.02947	2.4
99.00860	1.6
101.02441	18.0
105.03426	1.5
107.01360	2.9
108.02171	1.4
109.02962	6.5
111.00870	2.0
113.02429	11.4
119.03516	10.0
121.02937	1.8
122.03721	5.2
123.04438	1.7
124.01649	1.3
125.02448	33.2
126.02737	2.5
128.90169	10.0
129.01955	2.4
131.03499	1.6
135.00827	1.6
137.02428	7.7
137.06076	6.4
138.03185	2.1
139.04022	1.3
143.03479	3.0
151.00356	1.9
151.04053	1.6
153.01961	5.7
161.02458	9.9
161.04536	3.8
161.05894	1.3
163.00270	1.8
167.03485	4.4
168.03813	1.3
169.01416	1.9
169.06456	1.6
175.03931	1.2
176.08452	8.1
177.01918	4.6
177.09120	1.5
179.03271	1.3
179.05598	6.7
183.98148	1.4
185.06032	1.9
187.03946	4.3
191.03464	2.9
191.10738	14.0
192.00662	1.4
193.01321	1.4
193.08766	1.3
194.09431	1.5
209.11815	46.5
209.33839	1.1
211.03957	1.8
221.06561	5.8
227.03485	27.2
227.12682	1.4
229.05014	11.7
239.03532	1.9
243.02905	1.7
245.06470	1.5
255.02975	44.9
256.03586	3.9
257.04510	6.2
263.07623	2.1
269.04395	2.0
284.03259	57.6
285.04019	74.7
286.04257	3.5
287.05551	4.9
323.09851	16.1
343.11517	1.5
357.13351	2.9
371.17093	100.0
372.17224	2.0
374.13797	2.3
389.16037	3.8
399.13309	1.3
431.09424	1.5
431.22623	1.3
435.01367	1.3
439.83853	1.4
463.08115	1.8
471.63950	1.3
533.19891	13.4
547.27490	1.3
551.21313	6.1
593.15033	83.9
593.22931	3.1
593.27722	4.1
594.15460	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	593.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46244	0.4
56.90390	0.4
57.03433	0.6
59.01079	0.7
59.01380	14.8
61.98830	0.5
71.01385	7.4
73.02940	1.6
73.15271	0.4
74.44910	0.4
78.95880	0.4
79.95751	0.5
80.66869	0.4
81.95322	0.8
83.01373	1.5
85.02941	3.4
87.00866	0.5
89.02448	5.0
90.98576	0.5
95.01397	1.0
96.96008	31.0
97.95941	0.9
98.95589	27.3
98.96423	4.6
99.00863	1.1
99.04314	0.5
101.02440	8.1
108.02171	1.5
109.02938	1.5
113.02438	3.7
116.92870	0.6
119.03505	1.9
121.02981	0.5
123.04518	1.1
125.02455	2.4
129.01917	0.7
131.79146	0.4
135.04514	0.7
137.02438	3.1
137.87691	0.5
138.03238	0.5
148.08972	1.3
149.02473	0.6
149.74271	0.4
151.03951	0.8
153.01907	1.5
161.04564	0.8
161.05965	0.5
169.01407	0.9
175.03920	0.6
176.08415	7.0
177.01929	2.6
177.09264	0.7
177.15092	0.5
178.09961	0.5
191.10770	15.4
192.00598	1.2
193.01245	0.7
193.08665	0.6
193.12299	2.1
194.09464	1.7
196.61684	0.4
209.11823	40.4
210.12219	1.2
227.03458	0.6
243.03116	0.5
251.12833	1.1
255.02914	1.0
284.03339	0.7
285.03995	0.9
289.07114	0.7
289.97559	1.0
291.97739	0.6
359.15042	2.0
371.17081	100.0
372.17416	3.9
425.08652	0.7
495.10550	0.6
533.26294	0.9
542.99902	0.5
578.04553	1.3
593.07214	0.8
593.15521	1.1
593.28162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03436	1.3
59.01117	1.1
59.01383	12.0
61.98801	0.7
65.34688	0.5
71.01382	8.0
72.99299	0.5
73.02953	3.5
79.95798	0.5
82.75052	0.6
83.01388	2.0
85.02950	4.4
87.00874	0.6
89.02437	3.3
92.73619	0.6
95.01385	1.0
96.96010	17.9
96.99271	0.9
98.22641	0.7
99.00861	1.0
101.02452	6.4
109.02964	1.1
111.00858	2.3
113.02461	4.5
116.92852	1.1
119.03493	1.2
121.02928	1.5
122.03770	1.1
124.01650	0.7
124.98795	4.6
125.02449	8.3
136.05290	2.3
137.02412	0.9
151.07616	0.8
153.01924	1.8
161.02495	1.5
167.03461	0.7
169.01407	1.5
177.01907	1.6
179.05571	0.6
194.09483	1.7
209.11829	46.8
210.12143	0.8
235.64449	0.5
254.11588	1.3
269.13828	0.7
287.05792	0.8
305.06433	0.8
323.09702	0.7
371.17090	100.0
372.17255	2.8
423.07065	1.5
431.19177	8.6
532.23938	0.6
533.66827	0.6
547.27460	1.7
593.09473	1.5
593.24121	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	593.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30318	1.2
57.03444	2.5
58.98663	1.1
58.98991	1.2
59.01378	70.1
59.45938	1.0
60.87684	1.1
61.98836	2.3
69.14770	1.8
69.15167	5.5
69.67204	1.2
71.01380	32.9
73.02941	2.0
83.01402	2.0
85.02953	5.7
87.00877	2.4
89.02444	41.7
94.71414	1.3
95.01385	2.7
96.96007	4.3
101.02444	20.5
109.03008	1.9
113.02445	13.7
115.88432	1.6
119.03508	14.1
124.50616	1.3
124.98849	1.3
125.02437	7.5
137.02448	2.2
137.06035	1.4
141.01703	2.0
143.03499	3.4
153.01973	2.0
161.04565	4.8
161.96956	1.0
165.02055	1.5
176.08376	1.4
177.01935	2.3
179.05611	9.7
191.10771	5.6
209.11868	2.1
209.58012	1.2
229.60643	1.5
254.11551	1.7
267.15961	1.3
273.95819	1.1
285.09265	1.4
329.67621	1.3
371.17072	100.0
372.17426	2.7
375.04016	1.3
431.18964	6.1
513.80542	1.2
533.21082	3.6
551.21790	1.2
593.26025	6.4
614.44525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.7
58.00377	2.1
58.41026	2.2
59.01381	22.3
61.98824	3.3
62.60083	2.0
69.41370	7.9
71.01372	15.2
71.88745	2.2
73.02927	3.6
81.95312	2.5
82.95370	1.9
83.01383	4.4
85.02957	4.2
87.00916	2.6
89.02433	7.8
96.96008	97.0
98.21830	4.1
98.94941	3.9
98.95578	76.3
98.96411	16.6
99.00861	2.3
101.02454	11.0
105.11258	1.7
109.02934	7.7
112.70721	2.0
113.02433	3.6
119.03473	4.1
123.04514	2.9
125.02430	20.6
137.02432	4.1
140.04501	2.3
146.63795	2.2
151.03970	3.1
153.01901	7.5
165.01877	2.4
167.03462	4.5
169.01414	13.4
175.03978	7.9
176.08389	7.0
177.01930	5.9
189.05539	3.4
190.06282	9.1
191.07080	6.7
191.10776	16.2
192.00629	5.0
193.12294	3.6
205.08681	4.4
208.07327	7.2
209.11794	44.2
224.88565	1.9
227.03349	2.7
255.02977	3.4
284.03152	2.9
285.03946	6.3
289.07132	3.6
289.97394	4.4
291.97510	2.2
334.39960	2.1
344.12540	3.0
359.14978	39.5
371.17081	100.0
372.17126	2.3
453.38492	2.2
493.09616	2.1
533.22650	2.2
541.97357	2.2
554.10266	2.0
578.04559	4.5
593.15027	5.2
593.28192	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56734	1.4
52.72684	1.4
61.98817	2.1
70.45950	2.2
78.95902	59.2
82.95394	1.6
96.96959	11.9
152.99591	82.3
171.00565	3.3
223.00134	11.2
241.01164	22.3
277.21725	47.0
315.04932	14.8
593.27283	100.0
594.27209	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	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50592	0.6
59.01363	1.1
61.06059	0.6
68.90615	0.7
71.05505	0.9
78.95901	69.4
96.96957	10.8
129.59003	0.7
152.99590	90.0
153.99973	0.9
161.19835	0.7
171.00655	3.3
196.39220	0.7
223.00113	11.3
241.01178	27.1
259.02209	1.5
259.20615	1.1
277.21722	52.1
278.22098	1.8
315.01450	1.2
315.04883	15.1
350.60190	0.8
416.33206	0.9
570.03394	1.0
593.27313	100.0
594.27673	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03434	3.3
57.22506	1.3
59.01377	100.0
61.98826	2.1
69.36800	5.9
71.01381	47.7
72.99306	2.9
73.02935	6.0
75.00875	1.8
79.90138	1.3
83.01395	3.0
85.02956	11.1
85.06603	1.2
87.00864	4.8
89.02445	51.8
95.01390	4.3
95.05042	1.8
96.96023	3.2
98.21805	1.6
99.00848	2.8
101.02442	27.9
109.02901	1.5
111.00838	1.5
113.02445	21.4
116.92852	1.7
119.03496	21.0
121.02935	2.2
123.00885	1.7
125.02425	13.9
131.03482	4.5
137.02426	4.7
139.04002	2.7
143.03485	6.1
149.02451	1.4
149.04539	2.1
150.03210	1.9
151.04016	1.2
161.02451	2.9
161.04581	8.5
163.06105	3.9
163.07521	1.5
164.07166	4.6
165.01933	1.8
165.05591	2.2
167.03479	2.6
169.01454	3.3
175.03975	1.9
177.01968	4.2
179.05626	20.4
193.05060	2.2
194.55434	1.1
212.96030	1.2
249.06152	1.6
255.03001	5.6
255.16019	2.0
283.02432	9.4
285.04095	17.0
285.07129	1.2
305.06583	3.9
367.81622	1.4
389.16071	6.0
423.07120	7.0
425.08551	1.5
446.08459	2.6
447.09338	1.8
533.25940	38.8
534.26300	1.6
547.27692	8.7
549.21777	6.2
593.21405	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	593.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.0
55.58236	1.6
57.03440	4.1
59.01379	91.3
62.25411	1.9
63.38733	1.6
65.94490	1.4
69.03442	2.9
71.01377	55.2
71.44124	1.9
72.99329	2.0
73.02941	30.3
75.00860	2.9
78.91868	2.4
83.01376	12.8
85.02948	19.4
87.00861	7.2
87.04523	2.0
89.01920	2.6
89.02443	29.6
95.01375	4.0
96.96009	27.7
97.02932	4.6
98.21928	1.8
99.00874	6.1
99.04495	2.7
101.02441	53.3
103.04007	10.7
109.02991	1.9
113.02445	16.1
115.03988	4.9
116.92828	2.0
119.03522	11.3
121.02947	2.0
123.00861	1.6
125.02438	18.1
129.01967	1.7
131.03497	3.2
137.02353	1.8
143.03461	7.0
145.05045	3.8
150.03229	3.0
151.03986	1.9
153.01894	1.7
161.04601	8.2
163.06114	29.2
165.05608	2.5
177.01892	2.6
179.05621	5.6
193.05051	3.5
205.07133	9.0
207.13907	4.4
247.08182	2.9
265.19662	1.8
267.07248	1.7
307.10242	5.2
329.13959	1.9
387.20230	21.6
477.23288	6.3
515.24921	2.6
533.26019	100.0
534.26300	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	593.3328
Annotation	L-Urobilin
Peak:m/z	Relative Intensity
51.74087	2.0
57.38325	2.1
60.17671	1.9
70.96465	2.2
70.96795	2.2
78.95904	2.5
84.34650	2.1
88.90459	2.0
89.89906	2.1
96.33546	1.8
99.00890	2.8
107.41438	2.1
111.00877	6.2
120.09618	2.0
123.00854	4.7
124.98795	6.2
139.00345	23.1
151.00403	2.5
152.98203	2.4
152.99585	2.7
153.01855	3.9
160.84111	4.5
162.83810	3.2
166.99843	4.6
170.35262	2.7
181.01498	2.2
219.28410	2.1
228.66808	2.3
265.22372	2.1
322.61078	2.8
373.14102	2.2
445.21970	2.3
467.21204	2.1
473.21442	5.1
475.19586	3.9
485.21835	3.1
489.25089	2.9
499.23016	6.4
503.26221	2.5
505.24146	4.8
509.28964	3.7
515.26282	4.1
516.24408	2.8
520.27429	2.5
529.28046	9.8
531.26123	13.9
533.24225	10.1
535.29230	4.7
546.28351	7.3
547.28906	3.8
548.26343	4.3
561.30499	31.1
563.28412	17.8
578.31104	29.5
581.22809	2.8
584.58179	2.4
585.66083	2.8
593.33270	100.0
594.33545	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	593.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05582	13.3
69.84312	36.1
69.84676	33.0
96.96009	100.0
99.72286	13.0
116.92873	29.1
118.53249	14.4
133.58351	14.6
142.35245	14.7
185.15829	14.0
199.40399	13.5
214.56685	14.5
276.55127	15.7
463.25555	14.6
473.28937	20.9
513.08771	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83675	1.3
57.03447	3.7
59.01378	100.0
61.98832	24.4
69.03467	2.0
70.43407	2.1
71.01382	18.6
72.99289	1.4
73.02936	6.9
81.03458	1.8
83.01393	1.6
84.95110	3.6
85.02946	11.2
88.98825	2.5
89.02452	7.6
95.01400	2.4
99.00903	1.7
101.02463	12.8
104.07710	1.5
109.02927	4.6
113.02443	10.0
125.02442	20.2
129.03252	1.6
137.02420	2.0
143.03557	2.5
153.01961	2.6
161.02422	6.4
161.04475	1.9
169.01414	5.0
191.07130	1.8
192.00552	7.8
193.01172	2.0
205.01619	1.8
207.03003	8.2
234.01678	2.1
249.03989	2.8
269.17480	2.1
287.05740	3.5
307.10770	3.1
345.26477	4.3
345.30228	3.9
489.34344	53.6
490.34869	1.9
507.35577	20.3
533.29181	10.4
534.64099	1.6
549.35797	5.3
552.42566	2.0
557.11456	4.9
593.24506	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01376	100.0
61.98825	36.9
64.85891	1.2
65.95265	1.2
68.97707	1.2
69.24799	2.8
69.25189	3.6
71.01379	13.8
73.02947	3.6
83.01381	4.8
85.02950	8.7
87.00894	1.5
89.02445	2.1
95.01387	1.4
99.00912	2.2
100.08627	1.2
100.53824	1.4
101.02409	7.8
113.02441	7.7
125.02415	4.6
137.43614	1.2
149.68997	1.5
152.42091	1.4
192.00475	1.6
297.24234	2.2
299.25967	2.2
345.29984	7.4
457.18048	1.4
489.34283	73.9
490.34698	4.4
507.35339	27.5
533.29468	1.7
549.36688	6.6
593.26349	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34227	4.3
57.03422	7.3
58.11980	4.3
59.01375	100.0
59.66569	4.8
61.98827	77.5
71.01360	14.8
78.95911	5.7
85.02946	9.9
86.56986	4.9
88.98785	7.1
89.02435	5.4
101.02410	12.2
113.02441	10.8
117.03211	4.6
120.91664	5.0
125.02447	38.6
131.86967	4.6
161.02388	13.3
169.01433	9.2
241.14362	11.5
278.13092	4.8
287.05469	5.0
312.64774	5.4
345.29617	5.8
446.56796	5.2
449.42798	4.8
489.34326	57.5
507.35214	19.9
526.98773	5.4
527.07745	5.6
593.27179	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	593.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51126	1.3
55.01874	3.7
58.58466	1.4
71.46920	2.0
78.95921	1.5
81.03449	1.9
87.95113	1.3
111.66309	1.6
122.03723	2.1
123.00890	2.8
124.01656	4.9
135.04492	1.6
136.05280	1.5
149.06117	2.2
152.01160	4.2
185.02843	1.5
191.28648	1.2
223.34587	1.2
247.20665	3.6
265.18045	4.6
289.21722	68.4
290.22101	2.5
293.17569	63.9
294.17944	3.3
303.23270	100.0
304.23590	3.8
546.34692	1.6
587.58423	1.5
593.36823	12.4
593.45398	14.2
594.54578	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	594.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	29.0
61.98829	100.0
69.03454	11.2
69.66434	2.1
70.68296	3.1
71.01386	18.0
73.02945	8.1
73.23608	2.1
79.01897	3.1
79.30175	2.0
81.03459	2.4
83.01407	3.4
85.02949	8.0
89.02432	11.5
93.03458	8.7
96.35512	2.1
97.02940	6.2
101.02440	18.9
103.04013	12.7
107.01402	8.6
108.02146	18.2
109.02969	5.3
110.67235	2.3
118.49644	2.5
119.03486	7.5
121.02968	12.3
125.02459	24.9
131.05852	2.2
135.00871	15.5
137.02455	9.8
137.93892	2.0
143.03465	2.5
145.32829	2.4
152.01152	33.6
153.01973	2.8
163.06152	11.3
197.05983	3.1
213.39352	2.6
227.07121	12.2
243.06554	20.3
250.64856	2.5
286.93155	2.1
307.10309	11.4
427.12268	3.5
443.11929	46.1
444.12006	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	594.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98827	100.0
62.98522	0.3
79.69915	0.2
90.46345	0.2
106.85058	0.2
452.80942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97918	0.2
52.15621	0.2
54.25643	0.2
54.32117	0.2
59.01371	0.4
61.98828	100.0
69.25220	1.0
95.15450	0.2
96.96014	0.3
101.02492	0.2
133.69756	0.2
340.69257	0.2
398.24390	0.2
459.98370	0.2
485.06302	0.2
534.29138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18742	0.3
61.98826	100.0
63.17248	0.3
69.13091	0.7
69.13505	1.2
69.64320	0.3
71.10518	0.3
72.75923	0.3
101.02419	0.4
102.80202	0.3
125.02477	0.4
158.05995	0.3
355.85648	0.3
514.83362	0.3
576.27612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1669
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.69664	0.7
57.10947	0.8
59.01377	1.3
68.99815	1.7
71.01382	1.3
74.69204	0.7
79.01904	0.9
81.03453	1.7
82.95412	2.3
83.01392	3.7
85.02962	1.6
89.85970	0.8
93.03454	4.9
95.01353	1.5
95.05038	1.0
96.96010	9.1
97.02943	3.0
98.22625	3.6
101.00401	0.7
101.02412	1.3
107.01382	5.5
107.04984	1.4
109.02962	2.0
111.00794	0.8
111.04507	1.3
113.02445	1.1
117.03463	1.6
119.05024	31.3
121.02968	2.8
123.00921	1.2
123.04508	4.1
125.02468	7.9
135.04536	1.6
137.02431	5.1
139.03993	6.4
143.05034	5.2
145.02992	5.6
147.04485	1.7
149.02417	4.5
150.03262	1.3
151.00378	5.0
151.04016	2.4
155.03433	1.0
161.02431	1.4
161.06026	2.4
163.00365	3.3
163.03989	4.8
165.01881	4.3
165.05557	1.8
167.03520	11.4
173.02512	0.9
175.03920	1.5
175.70396	0.9
177.01924	4.5
177.05569	1.3
178.02750	0.9
179.03497	3.7
183.14629	0.8
187.04004	6.6
191.03561	4.0
192.00639	0.8
193.01402	8.9
193.04997	1.1
193.59294	0.9
197.04543	3.8
199.07684	1.7
203.03505	1.3
205.01466	5.1
205.05132	1.4
206.02234	1.4
207.02971	4.1
209.04541	3.6
217.01418	1.1
217.05026	0.9
219.02965	3.0
221.04546	1.1
223.02409	1.4
223.07668	0.9
227.07283	2.0
229.04953	1.0
233.04575	1.8
235.02490	12.6
239.05537	2.2
241.08786	1.4
245.04372	1.3
247.02414	1.2
249.04030	1.8
261.04010	2.3
265.03452	5.6
269.08243	1.1
271.06146	2.5
283.06046	2.7
283.09344	1.0
311.05762	1.2
313.07202	19.2
325.07062	9.0
327.08807	0.9
339.08655	1.2
343.08243	7.0
353.06741	1.2
355.08200	89.3
356.08405	1.9
367.08301	5.7
369.09451	1.0
385.09274	73.1
386.09552	2.1
397.09164	3.6
415.10330	20.4
418.50433	0.8
427.10287	1.8
439.10910	1.1
457.11426	7.6
475.12411	38.2
476.12289	1.6
477.23288	1.1
487.12683	4.2
505.13507	10.6
577.15869	3.5
595.16663	100.0
596.16791	4.7
614.41608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
69.34586	1.9
69.34979	2.8
71.01389	1.9
72.47133	1.1
79.85382	1.1
83.01395	1.1
85.02937	1.3
89.02465	1.4
96.96002	10.1
99.00880	2.1
106.21236	1.2
107.01389	1.5
107.05003	1.7
111.00899	1.4
113.02452	1.8
119.05003	6.0
121.02959	1.6
123.00898	1.6
124.98801	2.6
125.02440	4.6
129.29297	1.3
131.92279	1.2
133.06625	1.3
136.01740	1.3
137.06067	1.4
139.00365	14.5
139.03987	1.8
145.02890	1.4
149.06065	3.3
153.01933	27.7
153.03107	2.4
159.04506	2.1
161.06224	1.1
164.04811	2.0
165.01993	2.1
165.05586	3.9
166.99840	1.9
167.03543	2.7
167.07214	1.8
168.99406	1.3
169.01424	4.1
175.04004	3.2
177.05556	23.3
179.03546	3.0
181.01387	2.3
181.05119	1.1
187.04066	1.4
191.03552	1.3
192.04283	5.2
193.05042	11.8
194.05830	45.6
195.06499	2.1
205.01434	1.6
207.03015	1.9
207.06607	3.7
209.04756	1.4
209.08148	15.4
210.05341	7.9
219.03061	1.3
221.04671	1.7
226.04865	5.2
227.05588	5.1
235.02443	1.9
237.04028	3.2
238.04846	4.1
239.05589	17.0
253.05063	0.9
253.07161	75.8
254.04303	33.1
255.05072	18.6
269.06641	100.0
270.07333	7.1
295.08127	2.0
313.07181	4.2
355.08029	13.4
385.09302	13.4
415.12018	2.9
417.10419	1.7
418.11258	2.5
432.12689	31.6
433.13409	12.7
475.12537	6.6
505.13120	2.4
591.79382	1.3
595.18530	78.3
596.18585	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	595.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49501	1.0
58.43088	1.0
59.01370	3.7
67.11304	1.1
69.26104	5.6
71.01370	1.7
75.44999	1.0
85.02946	2.9
93.22778	1.1
96.95979	2.0
97.06570	2.1
101.02485	1.3
103.05540	1.0
111.00861	2.1
121.06607	1.4
124.98782	3.1
125.02430	3.1
125.38258	1.0
133.06636	1.5
137.02391	1.2
137.06093	1.3
139.00372	12.2
139.07616	2.5
145.66077	1.2
149.06090	1.7
153.01903	5.1
154.02638	1.5
155.07118	1.6
159.04576	1.2
165.05580	5.4
165.60274	1.0
166.99825	3.6
169.01408	4.3
175.04021	2.0
177.05586	17.1
181.01399	4.1
181.05095	1.5
182.05714	1.7
192.04268	3.8
193.05045	13.2
194.05875	7.6
195.06644	5.7
199.06094	2.2
209.04628	1.5
210.05353	8.9
210.61095	1.1
211.06149	2.3
216.93727	1.2
225.04196	1.2
226.04773	3.5
227.05588	17.1
237.04080	2.0
238.04793	4.5
239.05568	15.6
253.07162	16.4
254.04347	25.0
254.71373	1.1
255.05093	50.0
256.05719	4.4
269.06689	5.0
270.07297	3.1
299.96967	1.2
349.51889	1.0
365.73627	1.4
401.10886	5.9
417.10364	67.4
418.11108	9.6
432.12610	3.0
433.13498	25.7
549.25372	1.6
580.16400	15.5
595.18756	100.0
596.18829	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.7
69.80308	2.7
69.80657	3.1
85.02944	4.2
88.25845	1.3
89.02431	2.2
103.05526	1.3
121.06516	2.4
122.23071	1.4
123.04514	1.5
124.01645	2.0
125.02424	3.0
131.04984	1.7
133.06538	2.5
137.02422	1.8
137.06078	2.6
139.00375	3.7
140.01198	2.3
141.01942	1.6
149.06042	3.9
152.01183	1.4
153.01921	10.0
154.02739	4.5
154.99860	3.0
155.07117	2.2
165.01920	1.9
165.05540	11.4
167.03436	2.2
167.07141	1.5
169.01402	4.9
175.04015	11.4
177.05560	58.6
179.03444	2.1
181.01424	2.5
181.05089	3.5
182.02176	1.4
191.07184	1.4
192.04289	2.5
193.05046	46.4
194.05844	27.6
195.06656	12.4
199.06085	2.6
204.79810	1.3
207.06642	2.3
209.04541	3.1
209.08096	2.4
210.05304	5.8
211.06102	3.7
221.04547	4.8
224.54729	1.2
225.04010	1.7
225.07640	1.4
227.05623	22.3
237.03978	4.5
238.04811	22.0
239.05615	28.8
241.03784	1.5
253.07166	85.7
254.04291	11.6
254.06912	1.9
255.05089	79.0
256.05765	8.7
269.06592	3.8
270.07501	7.7
271.08115	3.6
312.48050	1.3
392.46539	1.3
401.10825	3.0
415.12439	100.0
416.12839	2.6
417.10385	20.1
418.11066	10.5
432.12726	9.4
433.13495	75.1
434.14532	1.6
561.72595	1.4
580.16595	3.6
595.18787	92.9
596.19031	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23439	0.6
55.97191	0.6
57.03445	0.6
57.63114	0.6
59.01357	2.5
69.75088	2.0
71.01388	1.4
83.36852	0.6
85.02938	2.1
87.14037	0.6
89.02409	0.7
89.71416	0.6
93.03426	0.7
95.05029	0.8
96.96001	4.1
97.02911	0.9
97.06573	1.4
98.21874	0.8
99.00880	8.8
101.02425	0.6
105.07051	0.7
109.02948	0.7
109.06544	1.0
111.00848	1.1
113.02435	0.9
119.04993	1.6
120.71239	0.5
121.02938	0.9
121.06547	1.3
123.00870	1.5
123.08143	1.3
124.01665	1.0
124.98795	0.8
125.02416	2.0
133.06564	2.4
135.01958	0.6
135.04485	0.8
137.02448	4.3
137.06029	1.1
139.00320	1.9
139.07603	0.9
149.06081	3.8
151.07674	2.0
152.01152	0.8
153.01921	6.8
153.05499	0.7
154.02684	1.6
154.99855	1.6
155.07124	1.3
165.01920	0.9
165.05569	7.8
166.02771	0.7
167.03458	0.8
167.07140	3.5
169.01410	2.4
175.04021	1.2
177.05573	22.1
181.05009	1.5
192.04367	1.0
193.05052	16.4
194.05862	8.1
195.06650	4.3
199.06055	1.6
209.04466	1.3
209.08116	3.0
210.05292	2.4
211.06134	6.2
212.06812	0.8
214.92209	0.6
221.04549	2.6
225.07622	1.3
227.05568	9.6
237.04053	1.6
238.04785	3.7
239.05598	50.9
240.06242	2.0
241.07198	1.3
253.07155	25.2
254.04309	1.7
254.07314	1.0
255.05095	34.9
256.05844	5.7
269.06641	8.4
270.07507	2.5
271.08231	5.6
295.08145	0.7
355.08014	3.6
357.14783	0.7
385.09103	3.2
401.10739	1.9
415.10846	0.7
418.11108	4.8
432.12619	2.8
433.13495	100.0
434.13684	2.1
457.11401	0.6
475.13153	2.9
565.21265	0.7
595.18597	21.7
596.19409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49501	1.0
58.43088	1.0
59.01370	3.7
67.11304	1.1
69.26104	5.6
71.01370	1.7
75.44999	1.0
85.02946	2.9
93.22778	1.1
96.95979	2.0
97.06570	2.1
101.02485	1.3
103.05540	1.0
111.00861	2.1
121.06607	1.4
124.98782	3.1
125.02430	3.1
125.38258	1.0
133.06636	1.5
137.02391	1.2
137.06093	1.3
139.00372	12.2
139.07616	2.5
145.66077	1.2
149.06090	1.7
153.01903	5.1
154.02638	1.5
155.07118	1.6
159.04576	1.2
165.05580	5.4
165.60274	1.0
166.99825	3.6
169.01408	4.3
175.04021	2.0
177.05586	17.1
181.01399	4.1
181.05095	1.5
182.05714	1.7
192.04268	3.8
193.05045	13.2
194.05875	7.6
195.06644	5.7
199.06094	2.2
209.04628	1.5
210.05353	8.9
210.61095	1.1
211.06149	2.3
216.93727	1.2
225.04196	1.2
226.04773	3.5
227.05588	17.1
237.04080	2.0
238.04793	4.5
239.05568	15.6
253.07162	16.4
254.04347	25.0
254.71373	1.1
255.05093	50.0
256.05719	4.4
269.06689	5.0
270.07297	3.1
299.96967	1.2
349.51889	1.0
365.73627	1.4
401.10886	5.9
417.10364	67.4
418.11108	9.6
432.12610	3.0
433.13498	25.7
549.25372	1.6
580.16400	15.5
595.18756	100.0
596.18829	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	75.7
61.98829	12.0
69.03445	3.1
69.18008	5.4
71.01377	29.1
72.99294	1.4
73.02943	12.4
78.91853	1.0
81.03451	3.1
83.01385	3.4
85.02946	12.4
87.00905	1.5
88.98228	0.9
89.02439	18.6
92.02670	6.4
92.54860	0.9
93.03455	89.0
95.01374	2.3
96.96030	1.0
97.02947	7.1
99.00835	1.7
101.02437	29.1
103.04004	21.6
107.05023	5.7
108.02151	1.8
113.02463	0.8
115.04048	1.4
119.03481	12.0
121.02953	51.5
125.02435	29.0
127.04009	3.1
128.35820	1.0
137.02435	83.4
143.03520	3.3
145.05060	4.2
151.03970	5.1
161.02509	1.4
163.06108	21.9
179.03517	2.8
183.08124	1.0
197.06105	14.0
199.07654	6.2
205.07156	2.5
209.06076	1.4
227.07121	100.0
228.07629	1.7
247.08218	6.0
281.06720	5.2
285.19330	0.9
289.09183	1.1
298.45438	0.8
307.10330	15.8
427.12402	40.5
428.12881	1.4
571.51941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.2
57.03436	2.2
58.82999	0.5
59.01377	22.0
61.66351	0.5
61.98825	1.5
68.99808	0.7
69.03455	0.8
69.21628	3.3
71.01379	20.0
72.99310	3.4
73.02935	3.1
75.00867	9.2
82.95448	0.5
83.01379	1.4
85.02946	13.0
87.00872	3.4
89.02444	7.0
95.01386	3.9
96.96007	0.8
97.24062	0.6
99.00874	5.3
101.02434	6.6
103.00373	1.2
107.01412	0.5
113.01693	1.1
113.02444	14.6
115.00353	1.0
117.01943	1.2
119.03483	2.0
121.02938	1.2
123.04499	0.6
125.02431	2.2
126.84072	0.5
129.01904	0.8
137.02431	0.6
157.01485	0.6
161.04555	0.7
167.10722	2.6
167.25050	0.5
169.01428	1.1
175.02512	1.1
177.01933	0.8
209.04599	0.8
249.06136	7.7
253.06935	0.8
254.60242	0.5
267.07190	2.1
345.15768	0.7
398.53745	0.5
417.17673	1.1
450.15128	0.6
499.65857	0.6
546.70758	0.7
577.21228	1.1
595.22394	100.0
596.22699	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	595.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63555	0.3
58.05764	0.3
59.01378	2.1
60.98654	0.4
61.98829	9.7
71.01388	1.1
73.02942	1.7
73.18248	0.4
83.81642	0.4
85.02962	0.8
95.07523	0.4
96.96021	1.5
101.02406	0.5
102.68047	0.3
108.02181	0.6
121.03004	0.4
124.01651	1.0
125.02459	1.7
133.02931	0.6
136.01666	1.8
137.02403	1.1
138.03235	1.4
149.02441	0.6
153.01924	0.6
161.02454	3.0
162.03241	2.0
163.04004	0.5
164.01161	6.2
165.01808	0.5
166.02710	0.7
167.03470	0.4
168.00677	0.5
177.01944	1.5
178.02681	1.0
178.99803	2.2
182.93004	0.5
189.01941	0.6
190.02728	4.2
191.03479	0.5
192.00642	100.0
193.01381	9.9
194.02208	4.2
205.01413	3.2
205.05154	0.6
206.02176	3.7
207.02977	84.8
208.03342	1.7
221.00905	1.7
222.01726	1.6
226.92014	1.3
232.03763	1.7
233.00896	0.5
234.01683	13.6
235.02109	0.9
237.04030	1.7
249.04027	13.0
251.16554	0.6
285.17084	2.1
291.05057	1.0
294.03879	1.3
309.06161	8.2
312.04886	0.5
327.07214	3.6
380.21927	0.6
461.67322	0.4
521.55609	0.4
595.23901	21.2
596.24097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84732	1.0
56.05701	0.9
59.01380	7.2
61.98828	100.0
62.98516	2.8
64.04910	1.0
69.40414	4.6
71.01377	4.9
77.70954	1.0
78.25677	0.9
78.95917	3.3
85.02943	1.5
86.17690	1.1
89.02425	2.4
96.95996	2.0
101.02449	4.0
102.24853	1.1
113.02424	1.7
116.92861	2.9
119.03515	1.1
125.02409	2.0
130.29810	1.0
167.03485	1.0
169.19307	1.1
177.66484	1.0
179.77682	1.0
192.00635	1.9
207.02988	2.0
221.11824	9.9
235.17036	3.2
267.12408	10.5
280.78580	1.1
285.98587	1.0
397.22275	47.8
398.22559	1.7
559.27386	8.3
595.25714	31.5
596.26282	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	595.2531
Annotation	Tiegusanin J
Peak:m/z	Relative Intensity
59.01373	14.7
59.47713	1.5
61.98825	90.9
71.01376	11.1
73.02925	3.3
78.87303	1.5
82.95412	22.1
83.73816	1.5
85.02942	4.6
88.12820	1.8
89.02425	5.8
96.96021	2.1
99.14005	1.7
101.02429	8.5
105.82421	1.6
108.86931	1.7
113.02439	4.9
119.03511	3.3
125.02414	7.4
137.02411	2.2
141.23033	1.6
152.01141	2.0
161.02383	1.7
161.04518	3.8
179.05580	3.1
191.08372	1.8
192.00597	3.2
194.28432	1.7
207.03006	4.0
229.11537	2.2
234.74071	1.7
241.80644	1.6
493.19751	1.7
559.27460	28.6
595.25085	100.0
596.25049	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.91264	0.6
59.01377	0.9
59.14314	0.6
62.96414	1.0
68.71281	0.7
69.19574	0.7
69.36863	3.6
71.83997	0.6
78.95901	64.4
83.36378	0.6
96.96959	14.1
150.98041	1.3
152.99585	94.6
171.00653	2.8
223.00125	10.6
241.01170	24.6
259.02228	1.0
279.23285	69.0
280.23669	2.1
315.04898	14.4
333.05893	1.1
343.02228	0.8
540.76624	0.7
595.28864	100.0
596.29303	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	595.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30673	0.7
62.73341	0.6
62.89243	0.7
69.36939	3.3
78.95901	65.7
96.96964	11.6
97.67908	0.7
128.98819	0.6
150.98026	2.0
152.99586	92.5
153.99908	0.8
171.00645	3.0
208.33292	0.8
223.00140	10.3
241.01175	25.6
259.02243	2.7
279.23279	65.0
280.23642	1.8
299.54727	0.7
300.47495	0.8
315.04868	14.2
316.72675	0.7
333.05606	0.9
357.34619	0.8
388.35495	0.7
589.79010	0.7
595.28870	100.0
596.29199	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	595.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24676	1.1
51.64843	1.3
51.69255	1.2
59.01378	100.0
59.45427	1.2
60.57961	1.1
61.63500	1.1
61.98833	1.8
63.01235	1.0
66.64883	1.2
69.14029	4.0
69.14460	3.8
75.00868	2.1
78.95901	2.9
88.98787	1.7
100.42345	1.2
103.00368	4.2
103.01492	79.7
122.89349	1.3
123.81236	1.2
125.80594	1.2
148.90977	2.5
152.99597	1.5
227.03146	1.4
230.15465	1.3
253.39732	1.3
595.19226	1.3
613.86273	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	595.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22523	1.3
52.76184	1.2
65.67208	1.2
78.95911	8.2
101.37672	1.3
139.11298	2.9
152.99561	2.8
153.12866	1.3
186.86575	6.6
188.86246	1.6
191.18042	3.6
203.86850	1.6
247.20667	3.7
259.89377	1.5
293.21219	100.0
294.21622	1.5
522.12128	2.4
523.12805	2.3
555.22540	1.5
559.10120	2.1
560.10010	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	596.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98829	100.0
69.41943	0.4
69.42342	0.7
71.01379	0.6
80.96126	0.2
85.02967	0.2
89.02440	0.6
93.24480	0.2
101.02469	0.4
103.00362	1.2
116.28287	0.2
125.02489	0.3
137.02435	0.5
192.00662	0.7
193.01385	0.3
209.11861	0.4
210.12224	0.6
228.61087	0.3
229.11557	0.7
244.87265	0.2
310.14282	0.2
331.99954	0.3
347.02432	0.3
371.17245	0.5
372.17520	0.8
373.17798	0.8
374.18170	0.8
383.53690	0.2
493.10159	0.5
553.22968	0.8
596.27954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67791	0.2
57.85981	0.2
59.01379	1.2
71.01382	0.5
72.99313	0.3
74.87260	0.2
83.01418	0.2
85.02969	0.3
85.91393	0.2
88.98788	0.2
89.02414	0.4
96.35167	0.2
99.92583	8.0
101.02443	0.5
111.61604	0.2
116.92857	100.0
117.92862	1.7
121.02962	0.3
123.00854	0.2
125.02457	0.7
149.02458	0.3
150.03221	0.3
151.04077	0.2
151.89438	0.2
161.02432	0.3
165.05574	0.5
167.03535	0.2
169.01439	0.5
177.01849	0.2
182.02220	0.2
192.00655	1.5
193.01402	1.9
195.06697	0.4
197.04576	0.5
207.02922	0.3
235.02356	0.2
238.07159	0.2
249.04184	0.2
260.78259	0.2
320.70282	0.2
393.12231	0.2
399.20206	0.4
479.08347	3.0
542.98932	0.8
560.99408	0.9
578.25403	0.3
596.26331	1.3
597.26642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77994	0.7
55.13890	0.8
57.03445	0.7
59.01376	3.8
61.98832	1.7
63.80622	0.7
65.00320	0.8
71.01379	3.3
72.99318	1.2
73.02943	0.9
74.31490	0.7
75.00867	0.9
83.01431	0.9
85.02946	3.1
89.02454	1.6
91.01894	4.1
97.02962	0.8
99.92592	1.7
101.02442	1.5
107.01369	0.9
107.05025	0.8
108.02175	48.0
109.02957	18.9
113.02431	1.4
116.92861	15.7
121.02952	3.8
123.04520	14.5
125.02433	3.8
135.04543	1.7
137.02425	1.0
151.00380	1.1
151.03970	1.0
152.01154	94.2
153.01956	18.6
154.53021	0.7
163.03961	4.2
165.01978	0.8
166.02655	1.3
167.03496	18.7
167.10794	0.9
175.03979	0.9
177.01939	1.7
179.03506	0.8
181.05032	1.7
207.02960	0.9
209.04507	2.4
297.06265	0.9
312.06189	0.9
315.07388	1.0
340.60526	0.9
357.13452	2.1
405.15485	3.3
417.15857	0.8
429.10349	16.0
447.11365	9.5
479.08316	1.6
503.52399	0.9
597.14648	100.0
597.23676	7.4
598.15173	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	597.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64289	0.9
54.61914	0.8
55.01880	1.0
55.84557	0.8
59.01349	1.1
69.30931	2.1
69.31332	3.5
70.28747	0.8
81.03471	1.0
83.01394	1.4
95.01384	1.0
108.02173	45.2
109.02966	11.5
111.00900	1.8
123.00880	3.8
123.04533	2.5
124.01657	1.8
125.02462	1.3
127.00377	1.8
135.04539	1.9
136.98749	1.3
138.03230	9.4
139.00424	1.1
139.04019	2.7
152.01147	100.0
153.01996	4.4
153.05563	14.7
154.02702	0.9
163.03981	2.6
165.05479	1.3
167.03450	3.2
168.00618	2.8
171.32050	1.0
182.02220	6.9
183.03001	8.8
184.07184	0.9
193.04951	1.1
197.04518	17.9
203.98625	1.0
209.04576	2.5
249.06036	1.4
263.19601	0.8
273.07803	0.9
296.85284	1.0
315.08704	2.1
322.29932	0.9
341.79178	0.9
357.09750	9.5
387.10760	7.5
399.09305	18.4
407.18512	1.1
417.11795	2.5
429.92065	1.0
459.12988	1.1
477.13940	1.9
571.70648	0.9
592.10583	1.0
597.14557	81.3
598.15155	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01373	1.1
68.99821	2.0
69.03443	1.4
69.19189	6.6
70.84332	1.2
71.01351	3.3
72.99322	1.4
73.02916	1.3
81.03450	8.0
83.01385	6.2
85.02924	2.5
93.03461	5.7
95.01361	3.0
95.05009	5.6
97.02923	4.7
99.04465	2.0
102.05958	1.1
107.01342	1.1
107.04988	3.0
108.02170	46.3
108.20205	1.0
109.02972	14.0
111.00845	1.3
111.04485	2.2
113.02409	2.1
119.05025	6.5
121.02908	4.3
121.06561	1.6
121.66541	1.0
122.03674	1.4
123.00900	5.2
123.04522	16.1
125.02425	12.4
127.00340	2.3
135.04462	4.5
137.02448	6.1
137.06078	8.0
138.03210	8.4
139.00291	1.3
139.03203	1.0
139.04015	10.9
139.30836	1.0
145.02879	1.3
147.04457	3.9
149.05981	2.3
151.03964	3.1
152.01141	90.3
153.01778	3.3
153.05566	17.0
163.03954	4.0
165.01877	2.1
165.05557	7.8
166.02594	1.8
167.02161	2.3
167.03487	30.7
168.00650	3.3
177.01866	1.8
177.05496	3.4
179.03461	9.7
179.07088	1.8
180.04187	1.5
181.04973	1.6
182.02170	5.4
183.02971	7.6
189.05484	8.6
191.03490	1.6
193.04953	4.1
197.02870	1.1
197.04547	19.5
201.34541	1.0
205.04985	1.4
207.02995	1.4
207.06543	2.2
209.04520	30.8
219.02713	1.7
221.04506	5.2
223.05907	1.5
227.05644	1.1
229.08571	1.1
239.05603	12.5
251.05533	3.5
263.05579	2.0
269.06589	1.6
273.07651	5.1
285.07608	1.9
315.08725	19.8
327.08731	9.1
341.10156	1.7
345.09665	7.5
357.09769	100.0
358.09830	1.9
369.09555	4.4
371.11389	1.7
387.10818	74.1
388.11188	1.4
399.09360	19.4
417.06500	1.5
417.11853	24.0
429.11508	1.7
441.11618	1.4
442.28439	1.1
447.12735	1.3
459.12906	12.5
471.12756	2.1
477.14014	19.5
489.14285	6.0
507.14853	2.6
579.16388	2.4
593.88025	1.2
597.14417	85.3
598.15100	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.2
61.98829	17.5
69.49065	5.4
71.01383	4.6
73.02946	2.4
73.34908	1.2
75.00861	2.5
76.04832	1.2
81.03465	4.5
83.01399	3.9
85.02945	2.8
89.02459	1.5
93.03450	3.6
95.01402	1.6
95.05018	3.1
96.96017	3.1
97.02947	4.5
98.22585	3.0
99.04483	2.0
101.02448	3.9
101.40205	1.1
106.04652	1.2
107.04981	1.5
109.02954	2.0
111.04551	2.1
113.02428	1.7
116.92869	12.8
119.05029	4.7
123.00877	1.4
123.04549	9.0
125.02435	14.8
135.04535	3.5
137.02434	4.6
137.06129	4.6
138.89633	1.2
139.04012	6.4
147.04501	2.4
149.02409	1.6
151.03993	3.7
153.05592	1.7
163.04076	1.8
165.01907	2.4
165.05577	4.0
167.03484	23.8
177.01912	2.3
177.05553	2.4
179.03508	8.5
181.05148	3.4
189.05574	4.1
191.03415	2.3
191.07133	1.4
193.05025	2.9
193.22884	1.5
195.06454	1.5
197.04527	5.9
209.04607	6.8
221.04584	5.9
237.14967	28.2
239.05643	12.1
251.05617	3.3
263.05707	1.8
269.06653	5.4
273.07648	5.8
293.06842	1.5
315.08682	16.8
327.08734	7.1
345.09766	11.5
357.09763	14.7
369.09601	3.6
387.10818	100.0
388.11111	3.4
394.45831	1.4
399.10849	3.9
399.20233	95.8
400.20593	2.3
417.11920	54.2
423.06918	1.4
429.12094	3.0
438.74561	1.4
459.12854	7.2
477.14053	16.8
489.14075	10.9
507.15106	9.6
561.25531	11.2
579.17157	3.5
597.16754	8.2
597.26929	6.7
622.13379	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	597.2188
Annotation	ligraminol B
Peak:m/z	Relative Intensity
51.59473	1.3
57.03451	1.4
59.01379	33.0
60.99293	1.9
61.98833	7.0
69.27595	6.8
71.01382	9.4
72.99285	3.9
73.02939	1.6
74.99126	1.3
75.00871	9.3
85.02949	9.4
87.00866	3.9
88.98803	19.5
89.02435	3.9
95.01364	2.0
96.95996	4.1
98.22617	3.0
99.00863	5.7
101.02379	1.6
113.02444	9.3
116.92825	2.0
121.02954	33.6
125.02437	2.5
139.11256	5.2
157.01395	1.4
167.03465	1.4
175.02446	1.8
181.12251	2.3
183.10243	4.7
225.11201	2.1
249.06305	1.6
271.43414	1.2
369.44473	1.4
475.18188	1.8
485.20364	1.5
500.22275	2.9
535.21771	2.2
537.19537	4.2
579.20691	4.3
597.21814	100.0
598.22430	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	597.2191
Annotation	ligraminol B
Peak:m/z	Relative Intensity
54.05400	1.8
57.03428	2.5
59.01374	35.8
61.98825	27.0
62.35312	1.6
69.38085	5.3
71.01382	9.1
72.99256	4.7
73.02915	3.3
75.00820	6.5
82.95406	2.2
85.02959	11.2
87.00852	3.9
89.02395	4.2
95.01354	3.6
95.33625	1.5
96.96004	3.8
99.00830	4.8
101.02378	1.9
113.02434	10.2
115.00333	2.4
116.92814	2.4
121.02957	30.3
123.04507	1.7
125.02414	4.6
137.02361	5.1
139.11208	5.9
142.68240	1.8
153.01826	1.8
161.91859	1.5
167.03452	3.1
168.15054	1.6
170.07098	1.6
178.61888	1.7
181.12355	3.3
183.10126	6.4
192.00626	2.7
209.04549	1.8
225.11223	2.8
231.04706	1.9
253.15694	1.9
253.18073	29.9
254.18286	1.9
255.02837	2.3
271.02170	6.3
300.02750	12.2
305.31854	1.7
315.04941	3.0
343.07687	5.6
421.18323	2.4
475.18118	2.2
511.32822	1.8
535.21228	2.1
537.19586	2.6
579.20563	4.9
597.21326	100.0
598.21808	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	597.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06422	0.2
59.01359	0.3
78.95898	1.1
95.01374	0.5
96.02162	1.8
96.96010	0.6
96.96967	0.3
100.43394	0.3
109.02937	0.4
111.00869	0.6
123.00885	1.6
124.01661	5.0
125.02441	1.1
125.39204	0.2
137.02458	1.3
151.00412	0.4
152.01152	5.3
152.99568	1.3
153.99933	0.5
155.00027	0.3
165.01918	0.8
166.02689	2.0
182.45276	0.3
184.00063	0.4
199.04050	0.3
207.06668	0.4
217.04933	0.3
235.06067	0.4
241.01152	0.5
259.06125	0.6
265.18060	5.1
270.71094	0.3
275.05704	0.4
279.23346	0.6
280.23544	0.6
285.04068	0.3
293.17569	100.0
294.17841	2.1
303.05161	2.0
319.15802	0.3
453.23792	0.3
579.22089	0.3
596.29028	0.6
597.30560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44146	0.3
59.01318	0.4
61.98804	0.4
71.01144	0.6
78.95901	0.4
87.00864	0.3
92.97654	0.3
96.02167	1.5
111.00851	0.8
112.17393	0.3
116.92877	0.3
123.00878	1.4
124.01660	4.6
125.02425	1.1
137.02414	1.1
152.01154	6.1
153.01909	0.4
155.00124	0.4
165.01938	1.2
166.02707	1.5
170.68915	0.4
176.04510	0.3
176.86525	0.4
184.00133	0.5
193.05193	0.4
195.17584	0.3
243.82631	0.3
259.06039	0.6
260.70358	0.3
265.18109	5.4
285.04028	0.4
293.17572	100.0
294.17810	2.4
303.05072	2.7
597.22607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.01377	12.1
61.98539	2.9
61.98832	45.6
69.10420	4.3
69.10822	11.4
71.01385	11.9
73.02927	2.7
73.39630	1.9
78.91863	3.4
78.95890	5.8
80.91670	2.3
82.95439	4.0
85.02953	2.7
89.02460	4.5
96.96016	3.3
101.02429	7.9
113.02463	5.9
119.03497	2.0
125.02431	7.9
150.03206	3.7
150.92435	1.9
161.04575	3.9
165.05554	4.0
167.03577	3.2
169.01367	4.9
184.66910	1.9
561.29279	17.9
597.26874	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	597.3046
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
61.43888	1.2
61.98814	1.6
64.49470	1.2
69.62562	2.9
78.95902	63.0
96.96959	9.2
98.21877	1.4
152.99586	90.3
160.84172	1.1
171.00594	2.2
193.99435	1.1
223.00089	9.2
228.71771	1.3
241.01183	22.5
259.02258	1.9
281.24850	72.5
282.25134	1.9
292.90570	1.2
315.04980	13.1
326.09378	1.3
597.30414	100.0
598.30713	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	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93829	0.4
59.01366	2.4
61.98829	19.5
71.01382	2.3
73.02917	0.7
80.64271	0.4
80.91650	0.4
81.03455	10.0
82.95411	0.5
83.05025	30.0
85.02943	1.0
89.02444	1.0
96.96018	1.2
98.22678	0.9
99.00810	0.5
100.07683	3.6
101.02439	1.4
113.02380	0.9
116.92859	0.7
125.02417	1.4
126.05579	0.5
127.03968	0.6
137.02400	0.5
165.05472	0.4
167.03421	0.5
182.15417	0.4
190.31412	0.4
199.18159	5.5
207.14873	0.4
225.16087	7.1
243.17108	16.8
269.15021	0.8
281.45197	0.4
308.14288	0.8
309.21741	1.2
353.20706	6.0
451.32739	1.9
454.87988	0.5
469.33972	13.3
522.46509	0.4
536.06445	0.5
555.24561	1.2
559.27252	0.6
561.29175	1.2
579.37769	3.0
597.38623	100.0
598.38885	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	598.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	5.6
59.01368	4.4
61.98829	13.0
66.55177	2.0
70.02983	2.4
71.01364	3.1
74.02464	16.5
78.50143	1.6
86.02474	5.7
86.18075	2.0
87.05614	2.5
96.95999	3.6
97.04115	2.0
99.05648	18.0
102.05649	2.2
105.94958	2.2
109.69514	2.2
110.77303	1.7
112.03991	1.8
124.04049	2.7
127.05106	2.4
128.03534	43.0
128.04425	3.7
135.05609	3.5
141.06689	4.0
143.04613	50.6
145.06145	3.0
146.04590	5.6
153.06699	3.7
159.07561	2.3
160.00703	14.9
167.04514	2.1
171.10239	4.8
177.03397	5.7
179.04634	11.7
187.45854	2.0
197.05830	2.1
210.08878	11.0
212.10617	2.1
236.16617	2.2
254.07843	15.8
272.08868	37.3
287.56888	2.1
288.06458	12.4
306.07645	100.0
320.92691	2.1
598.27985	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	599.1046
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
59.01373	0.8
61.98836	1.7
63.02398	1.9
65.00319	3.9
65.00650	0.4
67.51835	0.2
69.47819	0.8
71.01373	0.6
78.54784	0.2
82.95448	0.3
83.01389	2.6
84.95130	0.3
90.44153	0.2
91.01891	0.4
93.03430	1.3
95.01386	0.5
96.96012	0.6
98.21906	0.4
107.01387	8.4
108.02179	0.4
109.02947	3.6
113.02407	0.5
116.92833	0.4
119.01375	0.5
121.02943	6.7
123.00893	1.0
124.01658	0.6
125.02441	2.0
131.54669	0.3
135.00920	0.5
137.02432	1.0
139.03995	0.6
145.64372	0.3
148.01666	0.3
149.02454	1.0
151.00369	30.0
152.00697	0.3
153.01967	0.5
159.04489	0.9
161.02457	0.5
161.06099	0.3
163.00363	3.4
164.01189	0.6
165.01936	0.6
166.99831	0.7
167.03510	0.4
168.00565	0.2
169.01440	2.0
169.13899	0.2
171.04495	0.4
173.06151	0.3
175.04025	0.4
177.01892	0.3
178.99852	14.6
183.04433	0.4
185.06030	0.3
187.03969	0.6
190.99898	0.3
191.03578	0.3
192.00609	0.5
193.01340	0.5
199.04010	0.6
201.05548	0.9
203.03519	0.4
211.03946	1.6
212.04721	0.4
227.03531	1.9
229.05063	1.6
230.02209	0.3
239.03293	0.5
243.03011	0.6
245.04527	3.1
247.02281	0.3
249.03989	0.4
255.02950	3.4
256.03662	0.5
257.04562	0.6
266.02252	0.3
271.02271	1.3
273.04010	2.1
278.04453	0.3
283.02432	1.7
287.01886	0.5
297.06039	0.4
300.02698	0.7
301.03516	100.0
302.03888	2.2
313.07050	0.3
316.02078	1.2
317.03009	2.7
343.08490	0.3
447.09097	0.4
599.10413	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	599.1042
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
53.72267	0.6
59.01376	3.7
61.98831	4.9
63.02387	1.8
64.18789	0.6
65.00322	5.2
66.54065	0.6
71.01381	2.3
71.07377	0.7
73.02945	1.3
73.94350	0.6
81.03489	0.7
83.01379	2.8
83.05039	1.7
83.47192	0.5
85.02961	1.1
93.03492	0.8
95.01430	0.6
96.96014	8.5
101.02445	1.1
107.01378	11.5
108.02171	1.3
109.02948	7.7
111.00874	0.8
113.02457	1.7
119.01386	0.9
121.02953	8.3
123.00890	1.4
123.04544	2.3
124.01669	4.6
125.02444	14.5
135.00902	0.9
137.02446	2.4
139.00362	0.9
139.04028	2.2
145.45308	0.6
149.02458	1.7
151.00369	39.5
151.03990	0.9
153.01888	3.3
159.04514	1.0
161.02431	0.9
163.00395	4.7
163.03990	1.1
164.01169	1.0
165.01923	0.8
168.00630	1.5
169.01422	24.0
171.10173	0.7
173.06090	1.1
177.01959	1.2
177.98328	0.6
178.99840	19.4
179.03484	1.3
183.04567	1.5
185.06038	0.5
187.04002	1.5
190.99910	0.7
192.00653	2.5
192.15512	0.6
193.01375	3.1
195.06635	0.6
197.12010	0.6
201.05597	2.0
203.03436	0.8
205.05011	0.7
207.02849	0.7
209.11830	0.8
211.04013	2.0
216.04161	0.7
217.85915	0.7
227.03477	2.8
229.05090	2.3
234.01480	0.7
236.05055	0.7
239.03433	1.2
240.03931	0.8
243.03029	1.4
245.04503	2.6
249.03914	0.9
255.02966	7.0
257.04477	1.0
266.02121	0.7
266.96457	0.7
271.02429	5.3
273.04001	2.6
276.02686	0.7
283.02591	2.0
287.01959	1.1
297.06183	6.4
300.02756	8.1
301.03510	100.0
302.03864	1.5
303.08667	2.8
316.02148	3.0
317.02905	3.4
351.21826	3.4
402.71884	0.7
445.07678	1.0
447.09341	3.1
463.08301	2.8
479.08414	0.8
485.30460	0.7
555.28015	2.7
599.10388	69.5
600.10748	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	599.104
Annotation	Bromophycolide G
Peak:m/z	Relative Intensity
54.59136	0.3
57.40179	0.3
59.01362	1.6
61.98823	0.7
62.28070	0.3
65.00318	0.4
69.18802	1.9
69.34866	0.3
71.01377	0.7
73.02938	0.3
75.00900	0.3
81.03481	0.8
83.01386	0.5
89.02522	0.3
91.01899	0.8
93.03442	2.5
95.01377	0.5
95.05001	0.4
96.96014	1.6
98.21862	0.7
101.02454	0.4
105.03475	0.8
107.01391	1.1
107.05042	0.9
108.02171	6.7
109.02949	46.8
111.00870	1.1
113.02406	0.3
117.03465	0.8
119.05037	1.0
121.02940	1.0
122.03686	0.4
123.00873	1.8
123.04515	2.1
124.01643	2.3
125.02454	5.1
131.04956	0.4
133.02959	1.7
134.03735	0.9
135.04512	1.4
136.01654	0.8
137.02441	3.5
138.03178	0.7
139.00352	0.8
139.04016	0.7
145.02942	2.9
147.04436	0.7
148.01666	0.8
149.02426	1.8
150.03197	1.5
151.00462	0.4
151.03955	1.6
152.01141	5.8
153.01932	28.0
159.04498	0.7
161.02440	8.0
162.03223	6.2
163.04039	1.9
164.01125	2.0
165.01910	4.9
165.05579	0.8
167.03497	2.1
168.00606	0.9
169.01416	2.7
170.15277	0.3
171.10269	0.5
173.02460	2.2
174.03177	0.7
175.00389	0.4
175.04019	0.7
177.01927	2.6
177.05573	0.5
178.02731	0.6
178.99876	0.5
179.03493	1.5
179.07076	0.6
183.03084	0.4
187.04060	0.8
189.01938	3.3
190.02711	10.9
190.99815	0.5
191.03502	4.3
192.00636	12.5
193.01399	12.0
194.02171	0.7
195.02983	10.9
195.06566	0.5
202.02769	0.5
203.03453	0.7
204.00601	0.5
205.01398	7.2
205.05037	1.6
206.02187	8.1
207.02979	22.5
211.02460	0.9
215.03448	0.6
217.01346	0.7
219.02950	1.6
220.03757	1.1
221.00865	0.8
221.04512	0.5
222.01584	0.4
231.02934	0.6
232.03773	0.8
233.00958	1.6
233.04518	0.5
234.01688	22.7
235.02460	20.1
245.00862	0.4
246.01604	1.0
247.02467	0.8
248.03287	0.4
249.04031	8.7
255.04991	0.4
259.02463	0.9
276.02719	1.0
277.03503	2.4
279.04984	0.4
291.05051	0.4
294.03699	1.5
295.04526	0.7
309.06024	2.1
312.05179	0.4
351.21432	0.5
373.12714	0.8
385.12857	0.4
431.06448	0.4
433.07578	0.7
445.07727	5.8
461.07147	0.5
463.08701	3.0
570.19208	0.4
584.08051	0.9
599.10370	100.0
600.10767	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	599.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80854	1.9
98.29810	2.1
108.02140	10.5
130.50580	1.7
137.02362	3.0
149.02452	2.8
151.04012	4.2
152.01126	7.2
153.01938	2.9
165.01895	7.3
179.03519	3.0
193.01425	83.4
207.02974	5.1
235.02446	7.6
235.42876	2.1
272.96655	2.2
285.06116	13.1
313.05624	100.0
487.52527	2.1
544.82098	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	599.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65648	0.3
57.03445	1.1
58.97484	0.3
59.01375	17.5
71.01379	8.3
72.99319	0.5
73.02950	0.5
73.36412	0.4
73.41393	0.3
79.78196	0.3
79.82893	0.3
81.03457	0.6
82.82137	0.3
83.01383	1.4
85.02962	2.1
85.06577	6.5
87.00868	0.4
89.02441	9.5
95.01389	0.9
95.05040	0.4
97.02974	0.8
99.00822	0.3
99.08160	0.3
101.02442	7.2
107.01474	0.4
109.02943	2.3
111.04514	1.1
113.02448	3.5
113.06097	1.6
115.07649	1.2
119.03481	3.9
121.02963	0.5
123.00897	0.8
124.01637	0.6
125.02446	14.0
127.07642	1.0
131.07137	35.1
132.07451	0.4
135.04561	0.4
135.58157	0.4
137.02431	4.6
138.03223	0.5
139.03998	2.8
143.03500	0.5
151.03941	0.4
164.01132	0.8
165.01900	2.9
167.03499	3.7
173.08228	1.0
175.03931	0.6
177.01886	0.8
177.05557	0.8
178.02502	0.3
179.03502	2.7
179.05589	0.7
191.07143	0.3
203.03491	0.5
204.04181	0.4
219.06656	1.3
221.04485	1.1
261.07455	0.5
266.37228	0.4
270.40741	0.4
277.26923	0.3
293.12411	100.0
294.12766	1.8
305.06644	16.0
334.79300	0.4
397.19083	0.4
526.02899	0.4
544.47870	0.4
557.70892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36855	0.3
59.01385	2.1
61.98808	0.7
69.03468	0.4
69.35182	1.6
69.56192	0.3
71.01377	3.0
73.02951	2.4
79.01899	0.6
79.77602	0.3
82.95396	0.4
83.01389	0.8
85.02964	1.2
89.02438	0.6
95.01392	0.7
96.95995	0.7
97.02944	0.9
99.00887	0.7
100.89646	0.3
101.02464	2.5
103.73137	0.3
107.01388	21.9
110.53256	0.3
113.02448	1.2
123.00889	5.4
124.01647	1.5
125.02447	55.5
126.02751	0.5
127.42643	0.4
139.00374	0.7
139.04050	0.4
140.01180	0.5
141.01910	1.0
151.00380	2.9
161.04572	0.9
165.01888	0.4
168.00717	0.6
169.01424	90.8
170.01729	0.7
198.65230	0.4
219.91042	0.3
315.17859	0.8
409.69666	0.3
412.00577	0.4
599.23438	100.0
600.23792	4.9
601.42151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.7
59.01368	24.2
61.98840	13.8
69.03442	5.7
69.99889	2.7
71.01375	23.3
72.99274	3.7
75.00863	10.6
81.92029	2.6
85.02946	18.6
87.00858	4.7
89.02470	6.8
90.70576	2.7
96.96012	5.3
99.00864	8.4
101.02419	9.3
113.02471	19.2
125.02422	11.3
137.02388	4.0
139.11284	8.6
169.01366	5.9
179.05539	4.4
183.10277	14.1
217.00294	11.0
221.06461	2.7
221.15350	3.6
249.06012	5.2
249.14920	24.4
265.14307	25.3
265.16687	2.7
266.15247	3.0
283.35315	2.8
352.18762	3.6
377.19666	3.5
433.17059	16.5
444.62500	2.9
513.18884	3.7
537.32568	3.0
539.24969	18.1
555.48804	3.4
561.25635	14.2
599.27081	100.0
600.27942	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	599.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15301	3.8
56.31662	3.7
56.54403	4.2
59.01376	100.0
60.76120	4.0
63.24861	3.7
63.95679	3.6
70.86458	5.3
71.01380	9.5
73.02926	5.2
75.94414	4.4
82.95409	6.3
85.02940	7.4
87.00870	14.6
100.04758	4.5
101.02413	5.1
106.64893	3.8
107.85379	3.8
113.02448	7.9
123.04516	5.7
125.06105	4.3
151.28729	4.7
196.99858	3.7
223.65581	3.8
234.00620	4.0
317.28320	3.8
357.18909	3.9
465.70203	5.3
495.25989	50.9
513.27008	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	600.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62245	1.7
61.98824	4.1
66.95894	1.8
70.02509	1.8
82.95411	52.1
84.00904	100.0
84.95119	12.4
85.00440	16.1
98.22606	4.3
106.10038	1.8
152.99535	2.2
160.84203	4.0
253.09232	5.7
279.23312	38.3
296.78406	1.9
345.96140	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	601.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	14.5
59.01380	13.2
61.54673	2.0
61.98823	7.5
63.02406	2.8
65.00316	5.5
69.09470	8.9
69.09874	4.8
71.01389	8.1
72.99327	2.6
73.02964	2.1
75.77475	2.5
78.91884	7.5
83.01386	8.2
85.02950	5.5
87.00900	2.2
89.02436	4.5
93.03455	49.2
96.96009	5.9
100.35936	1.9
101.02428	6.3
104.54749	2.5
107.01417	8.3
109.02956	7.4
112.43812	2.1
113.02442	6.2
116.92876	8.2
121.02960	3.3
123.00839	3.3
124.01647	5.9
125.02446	89.1
136.01555	2.2
137.02437	90.1
139.03958	2.7
149.02550	2.4
151.00354	25.7
152.01125	7.9
153.01935	15.7
161.04611	2.9
163.00374	3.3
164.01288	2.5
165.01898	13.6
167.03487	12.2
169.01367	3.1
175.00378	8.8
175.03876	2.8
177.01878	5.4
178.99864	30.3
181.01498	2.5
189.01741	2.3
190.02557	2.2
191.03537	8.4
192.00572	2.9
193.01411	100.0
194.01915	2.6
205.05029	3.9
215.03531	4.0
227.03461	2.9
229.04962	3.4
233.04523	6.2
238.05336	2.0
239.03403	3.7
255.03023	9.4
256.03769	2.3
257.04547	6.6
275.05551	10.4
282.99594	3.6
283.02469	39.1
284.02689	2.7
285.04169	3.2
300.02930	5.2
301.03537	10.8
319.04623	4.0
419.10083	3.1
445.07727	5.3
463.08649	6.8
465.10455	15.1
475.08926	24.5
533.83856	3.0
541.26605	6.7
543.81927	2.2
559.27539	6.7
573.12714	3.6
583.10907	48.3
584.11053	3.1
601.11981	56.7
601.28033	6.2
602.12665	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	601.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
69.64245	1.8
69.64597	2.9
71.01346	1.1
83.64073	1.0
108.02176	52.8
109.02965	14.8
118.96679	1.2
125.02477	1.6
126.29410	1.0
145.94946	1.1
152.01158	43.7
153.00674	1.6
153.01930	31.9
162.53793	1.0
165.01932	1.8
169.01440	1.3
177.86028	1.1
195.02980	2.7
225.03996	4.9
255.05093	1.5
274.66980	1.0
285.06152	100.0
286.06647	1.6
315.07211	8.2
333.30624	1.0
415.09958	1.1
435.67603	1.2
522.38129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64273	0.9
57.03426	2.1
57.13268	0.8
58.82204	0.8
59.34779	0.8
69.07971	6.4
81.03451	2.2
81.03891	0.9
83.01404	2.8
93.03448	1.6
95.01424	0.9
95.05002	3.0
97.02928	6.5
103.05499	1.7
109.02946	19.3
121.02954	3.9
122.03667	1.2
123.04518	12.5
125.02450	14.3
135.04492	2.5
137.02446	7.6
139.03955	2.7
145.02904	1.0
146.03714	1.3
147.04523	2.6
149.02417	3.6
149.06110	1.4
151.03998	7.9
159.04517	2.3
160.05281	2.2
161.02434	0.9
161.06091	5.2
162.03178	2.3
163.04005	1.2
164.01108	3.0
164.84816	0.9
165.01868	3.8
167.03555	1.1
172.85123	1.0
174.03183	1.2
175.04028	2.3
175.07590	1.9
179.03444	3.9
187.04012	5.5
188.04710	2.5
191.03499	20.7
193.05061	2.2
201.05663	1.1
202.06264	1.6
203.07097	10.8
205.05064	7.6
217.08582	1.3
221.04381	1.3
221.08112	3.7
222.30899	0.9
227.07031	1.9
233.04486	1.8
245.08168	17.2
289.07156	100.0
290.07501	2.1
311.07834	11.1
610.77698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39479	1.6
69.76634	4.0
81.03481	1.6
83.01357	2.0
85.32716	1.6
87.47527	1.5
109.02966	2.6
121.06555	1.7
123.00906	2.1
124.01607	2.8
125.02409	5.6
129.42825	1.4
135.00929	2.5
137.02432	10.9
142.31097	1.7
142.99530	1.9
147.94020	1.6
149.02377	2.0
152.01149	4.7
163.00336	9.1
165.01923	8.1
166.02605	1.6
167.03481	6.7
171.10249	2.6
187.03932	2.0
201.05563	2.2
205.05002	2.7
211.13452	2.4
215.03448	2.2
221.15564	2.4
229.05034	7.3
237.14970	5.1
249.14894	3.0
255.02962	2.9
257.04501	2.7
265.14438	36.7
266.15170	13.0
267.15906	13.9
293.14047	3.4
301.03494	11.6
333.06171	12.5
503.39648	1.9
601.22888	100.0
602.23029	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	601.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57887	1.3
59.01382	2.7
70.98927	2.0
72.12550	1.2
73.01044	1.5
96.02179	2.9
97.02943	2.0
106.46435	1.4
107.01395	2.7
109.02925	1.5
112.82871	1.3
121.02119	1.2
123.00878	4.0
124.01671	9.5
124.29923	1.5
125.02448	13.1
126.51391	1.3
132.09494	1.5
135.00868	6.1
137.02438	2.9
139.66461	1.3
151.00323	1.9
152.01178	9.2
161.53484	1.4
165.01947	2.6
166.02669	1.8
167.03481	34.3
187.03935	1.7
191.14383	1.8
199.03987	2.1
203.03581	1.8
205.87231	1.4
213.05441	2.3
214.02615	1.8
215.03545	2.3
216.48703	1.3
217.00146	1.7
237.14955	13.3
241.05078	3.9
242.02184	2.1
249.14772	1.4
257.04547	3.5
265.14429	100.0
266.14966	2.6
267.15964	1.6
285.04077	2.5
301.17960	2.0
305.13663	1.4
317.06583	4.0
329.17490	2.6
339.16055	1.9
355.15433	5.7
357.17136	2.1
381.16681	1.8
383.14948	6.9
385.16595	5.1
387.17972	11.0
415.17615	23.5
433.18561	1.9
462.06720	1.5
484.75891	1.9
569.20526	1.9
583.21674	1.8
601.22858	83.1
602.23383	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	601.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96910	3.6
60.30250	3.6
62.96077	3.9
84.28493	4.4
91.95695	3.9
125.02444	10.7
137.02440	7.6
163.00406	8.8
165.01871	8.7
167.03519	12.4
171.10303	11.9
187.04018	4.6
201.05560	5.4
211.13423	11.1
237.14818	12.0
265.14474	59.6
266.15201	14.7
267.16302	7.9
301.03452	8.0
315.04889	4.2
415.17413	9.2
549.71356	4.1
601.22870	100.0
602.22827	8.9
609.87701	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	601.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01380	3.2
59.32280	0.3
61.98830	100.0
63.02393	0.4
64.28544	0.3
65.00331	0.3
66.02216	0.3
71.01398	1.8
73.02941	0.8
75.00874	0.3
83.01373	0.7
85.02961	0.6
88.98815	0.3
89.02464	0.6
90.19675	0.3
96.96019	0.4
99.00878	0.4
99.04514	0.7
101.02465	1.0
107.01384	0.9
109.02975	0.6
111.00897	0.3
113.02428	1.4
116.92845	0.7
121.02958	0.5
123.00871	0.4
123.04572	0.4
124.01673	0.4
125.02483	1.3
137.02441	0.6
149.02490	0.4
151.00357	2.1
151.03967	0.4
152.00778	1.0
153.00838	0.6
153.01976	0.8
161.04739	0.3
163.00427	0.3
168.00690	0.3
169.01471	0.7
173.02351	0.3
177.01918	0.7
178.99905	1.4
183.02974	0.4
193.01404	0.7
206.67036	0.3
229.05270	0.4
249.06194	0.5
297.06082	0.4
301.03519	4.7
302.03857	4.4
303.04080	4.6
319.04037	0.4
402.13861	0.4
492.35684	0.3
541.26495	0.4
557.29065	0.4
559.27667	1.0
565.22906	0.4
601.11145	2.1
601.19592	0.4
601.28937	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	601.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.2
59.01376	32.6
61.05144	1.8
61.98814	8.9
63.49846	1.8
69.03450	3.5
71.01382	18.8
72.02163	12.8
73.01764	2.2
73.02938	18.2
83.01382	3.3
83.05032	2.6
83.10598	2.0
85.02939	6.0
87.00910	2.1
87.04501	4.5
88.98799	4.0
89.02451	3.1
90.30712	2.3
96.96011	37.2
97.06593	2.7
98.21888	4.9
99.04533	3.5
101.02441	8.9
113.02433	8.4
114.86497	2.1
116.92879	2.7
119.03495	2.1
123.04564	2.5
123.08157	5.9
124.01629	2.2
125.02424	10.7
125.06075	2.7
125.09725	2.2
127.07545	3.0
137.06119	2.4
139.07722	3.0
141.09215	17.3
151.11264	2.5
161.02507	2.8
167.03442	2.2
169.01381	8.9
169.12395	6.8
171.10268	9.9
181.08849	2.2
211.13278	6.1
236.41170	2.3
239.16396	5.2
249.06033	5.0
267.07245	3.7
271.02441	5.3
285.04041	6.0
300.02670	6.1
308.25195	2.3
313.18274	2.2
316.02045	2.6
335.22150	3.7
349.11404	3.4
353.23291	100.0
357.13449	2.5
395.24603	5.2
445.09924	4.7
557.29486	9.1
601.29633	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	603.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58910	0.5
55.93187	0.5
57.03437	0.7
59.01375	5.5
61.18530	0.5
61.98834	2.3
66.62762	0.4
69.03444	1.2
71.01382	2.4
72.99305	0.5
75.00858	0.8
81.03451	1.7
83.01388	0.9
85.02953	1.2
87.00832	0.5
88.98773	1.0
89.02442	1.3
93.03457	2.1
94.98061	1.8
95.01395	0.7
95.05009	2.2
97.02951	1.5
99.00873	0.6
101.02403	0.7
105.03458	3.9
107.01419	0.5
109.02961	3.7
111.04521	2.2
113.02456	2.0
117.03434	0.7
119.05045	1.0
123.00893	1.4
123.04465	0.5
124.01627	0.7
125.02444	52.5
133.02934	3.3
137.02434	1.2
138.03221	1.8
139.04025	2.5
145.02948	2.6
151.00388	0.7
151.04004	1.8
161.02443	43.7
161.06046	1.3
162.02812	0.5
165.01854	0.7
166.99863	1.0
167.03471	1.6
169.01419	100.0
170.01797	1.2
175.07597	0.6
177.01923	19.8
179.03532	0.7
185.06058	1.3
187.04059	0.5
189.01939	10.6
191.03461	1.6
193.01405	3.9
201.05573	1.4
203.03535	1.2
207.13945	0.6
211.04042	0.5
216.00713	1.1
217.01390	15.2
219.02994	0.9
227.07155	1.7
229.05029	8.2
231.02921	2.3
233.04575	0.6
235.13324	1.6
236.14186	6.4
237.14926	11.4
241.05031	2.0
243.06607	2.0
249.06085	0.6
256.03796	0.9
261.14682	0.5
267.07248	2.7
269.04517	2.9
271.06100	37.9
283.06091	3.7
305.06650	0.9
311.05588	9.2
321.03946	3.6
339.04996	2.0
357.06094	7.8
399.20242	5.3
415.08551	2.5
433.09271	22.8
434.09424	0.9
441.20856	0.9
451.10315	27.4
452.10684	1.1
455.19171	1.5
477.08362	4.6
499.18262	1.2
517.19708	0.6
543.27722	0.8
559.20337	2.2
561.29047	0.7
565.12054	0.8
567.24634	1.1
603.11273	4.8
603.25970	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	603.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40834	2.1
57.03435	4.3
59.01384	13.5
71.01374	7.8
81.03455	3.9
83.01405	3.5
89.02449	8.9
94.37949	2.2
95.01416	4.2
101.02441	5.8
109.02959	11.2
111.04485	4.5
113.02430	4.6
119.03497	4.1
121.02968	3.7
123.00896	4.4
124.01711	4.1
125.02441	71.0
125.06081	3.5
137.02437	26.2
139.03989	12.6
151.04080	3.8
152.05045	2.3
164.01172	4.5
165.01904	15.3
167.03508	22.2
175.03949	3.1
177.01926	10.3
177.05594	4.0
179.03499	12.3
179.07103	4.8
219.06598	9.6
221.04576	4.6
223.05881	2.6
232.79602	2.2
239.05508	7.4
240.06618	2.3
261.07666	3.3
277.01126	2.7
303.56448	2.3
305.06689	100.0
305.12268	50.3
410.72281	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	603.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19903	2.1
57.03450	3.8
59.01379	56.5
63.54171	2.5
68.74625	2.3
71.01379	20.6
72.99303	4.9
75.00870	14.9
85.02942	22.6
87.00868	8.0
89.02450	5.7
95.01393	5.9
98.95748	2.2
99.00867	9.2
101.02457	3.7
109.96729	2.2
113.02440	33.4
117.01929	3.7
125.02441	5.1
130.51984	2.1
153.08063	2.3
161.02359	2.4
161.13359	3.9
165.05612	2.6
175.02419	2.1
205.12367	10.7
207.05006	3.0
214.93480	2.3
231.05016	2.5
243.06650	8.6
249.06120	19.2
267.07199	100.0
380.01825	2.5
404.00235	2.1
405.11789	7.1
455.19147	47.0
461.55109	2.3
499.18112	20.6
517.19543	4.4
559.20306	60.3
561.29315	2.7
567.24677	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	603.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46727	1.3
55.01874	2.4
59.01380	51.3
59.71828	1.8
61.98828	8.5
69.58168	3.2
71.01381	40.0
73.02951	16.4
83.01424	7.9
85.02953	18.3
87.00882	2.5
89.02433	6.5
95.01367	3.1
96.96014	2.1
97.02935	4.3
99.00829	4.6
101.02443	28.9
113.02451	24.9
116.92822	2.7
122.03731	18.8
125.02444	8.0
135.04520	1.8
143.03491	6.3
150.60289	1.7
159.03003	2.8
161.04549	20.2
168.73282	1.7
169.01318	1.9
172.29419	1.4
178.09996	19.5
193.12321	100.0
193.28188	1.7
203.05582	2.6
352.58160	1.7
355.17734	4.3
499.21747	6.5
517.22894	40.3
518.23370	3.1
543.27716	3.0
559.23975	15.0
561.29279	2.0
567.23438	2.3
592.80475	1.8
603.29321	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	50.2
61.98828	17.5
69.57702	13.2
70.73268	3.0
71.01385	13.8
89.02459	9.2
101.02435	12.7
104.37187	3.3
113.02507	4.3
115.55275	2.8
123.04486	5.3
125.02448	4.7
125.09734	7.8
161.04572	4.8
163.11299	8.9
171.10239	10.8
176.34245	3.0
185.11821	7.0
191.14445	8.4
193.36098	3.2
209.11885	18.9
211.13391	4.7
212.13763	5.7
225.11281	3.2
235.16962	4.3
237.11258	5.2
245.19075	19.6
247.43481	3.6
253.09280	40.5
271.16916	3.3
289.18069	100.0
307.19150	90.0
341.55243	4.0
520.48889	3.5
543.28107	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79403	0.9
57.04773	0.9
60.99308	7.7
61.98814	4.8
71.01374	1.4
87.00868	2.7
88.98801	50.5
89.02441	100.0
98.21854	2.6
102.45548	1.2
103.92010	3.0
148.90974	6.5
153.54918	1.1
162.92513	1.3
277.21713	1.2
284.92841	1.1
303.67435	1.1
322.96613	1.2
324.97592	5.1
603.20190	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67123	0.4
59.01372	0.4
60.99308	3.3
69.79987	1.2
71.01363	0.5
79.45317	0.4
87.00883	3.0
88.00398	0.7
88.98810	21.2
89.02441	100.0
94.38573	0.4
102.43848	0.4
103.92026	0.6
110.29848	0.4
148.90991	2.5
193.51431	0.5
249.93259	0.4
269.23950	0.4
322.96255	0.5
324.97754	0.6
342.98972	0.4
603.20032	1.9
603.30579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	2.9
63.77459	0.3
67.05161	0.4
70.67576	0.8
71.01379	0.4
72.96645	0.3
87.00871	2.3
88.00391	0.7
88.01202	0.5
88.98801	22.5
89.02439	100.0
145.53580	0.3
148.90973	0.8
160.01176	0.3
171.44830	0.3
236.64944	0.4
254.50786	0.4
330.05963	0.4
344.81372	0.4
345.98560	0.4
603.20313	0.8
603.29486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	1.0
69.32008	2.0
85.10605	0.4
90.89446	0.3
91.05250	0.4
109.02966	0.5
125.02455	2.1
128.10860	3.4
130.08737	84.0
131.09062	1.0
137.02446	0.5
153.01897	1.0
163.07629	1.7
167.03435	0.5
169.01387	0.9
172.09789	100.0
173.10106	1.6
177.01942	1.0
181.08734	0.7
207.06627	0.8
207.45274	0.4
216.08789	2.9
217.72769	0.4
225.07698	5.0
243.02942	0.6
260.78412	0.5
387.12985	5.7
394.03403	0.4
414.32938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.4
56.58834	1.9
57.03445	2.6
59.01377	38.4
61.98824	24.7
68.89221	1.7
69.03445	2.1
69.13226	6.0
69.13628	4.2
71.01374	46.5
71.01778	2.4
72.99310	2.5
73.02943	14.2
75.00893	2.2
83.01387	8.2
85.02957	19.5
87.00871	3.9
89.02431	9.9
95.01391	4.3
96.95998	2.0
97.83501	1.7
99.00887	4.7
101.02437	37.6
101.03084	2.2
111.00873	1.9
113.02428	20.2
121.26908	1.8
125.02433	6.1
127.44059	1.9
127.60176	2.3
137.02490	2.1
143.03491	3.3
149.04648	2.0
159.02963	2.4
161.04562	17.5
179.05629	2.6
203.33423	2.1
225.70628	1.9
266.15280	12.2
281.17484	10.6
399.23953	9.2
443.22955	7.2
544.28369	9.3
561.29108	100.0
562.29388	8.8
597.66705	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	605.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94292	2.1
57.03431	6.3
59.01378	100.0
61.98798	3.5
67.50148	2.3
70.41491	4.7
71.01377	38.6
72.99288	5.6
73.02933	7.2
73.10537	2.4
75.00874	26.2
82.95394	2.7
84.95095	3.4
85.02948	27.5
87.00873	10.7
89.02425	11.5
95.01383	7.5
96.04563	3.3
96.96005	6.0
99.00864	10.4
99.04546	3.5
101.02445	6.6
103.00347	5.5
109.02939	3.1
113.02443	41.6
115.00291	3.5
116.92889	3.3
117.01921	3.8
125.02428	14.1
132.04558	7.1
133.05284	4.5
133.63379	2.7
169.01450	6.7
175.02475	4.4
177.01945	2.9
179.03375	2.9
189.12906	4.2
189.29340	2.4
192.00641	3.5
207.05130	2.5
207.13936	11.0
213.06648	5.7
227.08209	4.1
231.05048	2.9
239.11563	2.4
241.09843	8.2
249.06120	23.9
255.61871	2.6
256.11972	2.6
257.12915	9.5
267.07166	60.0
301.11899	4.0
314.30444	2.5
362.14893	3.1
376.16159	2.9
390.18265	2.9
457.20615	57.4
483.19214	2.6
499.25272	3.8
501.19678	41.3
519.20728	5.2
523.59711	2.4
561.21698	75.2
562.21991	4.3
605.15918	4.7
605.25726	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.4
67.01205	0.8
71.01366	1.1
73.37868	0.8
81.03454	1.6
81.35356	0.9
91.98588	0.8
98.22580	2.7
101.02448	0.8
103.37170	0.8
109.02916	2.2
111.00851	2.7
121.06591	1.1
123.04469	1.3
125.02444	8.4
135.08163	0.9
137.02403	2.6
149.02380	1.0
151.11295	6.4
153.01889	0.8
160.51753	0.7
163.00481	0.7
165.65013	0.9
167.03455	2.6
169.01385	1.6
170.25731	0.8
175.11310	6.5
177.01862	3.8
177.09206	13.8
193.12318	3.2
194.85785	0.9
201.09154	4.4
219.10248	66.8
220.10594	1.9
227.03419	1.0
229.30617	0.7
237.11307	100.0
238.11592	2.5
248.44312	0.9
263.09378	0.8
281.10303	7.3
281.13290	1.3
301.03488	1.9
305.06644	1.0
305.10001	1.0
399.16522	11.4
423.06906	1.0
427.06854	1.1
443.15536	95.0
444.16119	3.6
505.57974	0.9
605.10144	1.0
605.20831	25.5
606.21210	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	605.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15171	0.7
54.92582	0.8
57.03446	8.1
59.01375	4.2
61.98820	2.7
70.66713	0.9
71.01392	2.2
82.95414	2.0
83.01376	3.8
89.02394	0.9
93.03462	1.0
95.05043	2.2
96.96046	0.9
97.02962	0.8
101.02443	1.8
105.03465	7.1
109.02964	1.5
125.02443	100.0
132.02155	0.9
133.02914	1.9
137.02460	5.6
139.04021	1.3
149.02428	10.5
151.03983	1.8
159.04483	0.8
160.01669	1.2
161.02437	85.3
162.02821	1.7
165.01909	0.8
166.02701	1.6
167.03523	2.0
169.01387	1.0
172.92201	0.8
177.02003	1.0
177.05576	3.3
179.03418	1.1
201.05571	3.6
213.05458	0.9
219.06667	1.0
225.05598	3.2
243.06618	2.4
251.03294	0.9
269.04535	29.9
269.07446	1.6
277.14371	1.8
287.05536	27.6
299.17010	0.9
311.05585	1.4
334.27975	0.8
335.36115	1.0
431.09940	0.9
443.16779	3.8
449.05109	0.6
449.10812	18.1
451.78989	1.1
605.23615	1.3
634.85358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2407
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.44171	0.2
59.22224	0.2
59.61705	0.3
69.30717	1.4
70.53423	0.3
90.72130	0.3
101.04148	0.3
104.13943	0.3
106.06617	0.4
128.70923	0.3
160.84201	0.4
177.81381	0.3
201.24481	0.3
394.11847	0.6
415.15286	0.5
427.19556	0.4
429.17044	0.5
430.18051	1.4
444.19513	0.4
455.19150	0.4
457.20642	1.8
459.17752	2.9
461.23257	0.4
470.21341	0.6
471.18445	1.9
472.19305	0.8
473.19711	4.9
474.20844	0.4
475.21698	0.8
485.18726	2.7
485.24533	0.7
486.20883	4.5
487.21298	0.9
496.18942	1.0
499.17279	2.1
501.23880	2.5
511.21567	2.3
513.19220	2.2
514.20099	8.5
515.20129	0.5
517.18329	0.3
518.19598	1.4
527.20520	0.4
528.22003	0.6
529.22443	100.0
530.22687	4.9
532.21222	1.0
533.21960	1.9
561.24994	0.9
573.21387	1.1
605.23944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
56.50388	1.5
58.06702	1.6
59.01374	100.0
61.98822	4.1
63.23015	1.5
66.24613	1.4
69.03424	2.4
71.01375	40.5
71.45880	1.6
73.02941	16.9
82.95391	6.6
83.01382	4.1
85.02941	7.0
87.00867	2.5
89.02438	69.4
95.01366	2.6
96.96002	4.1
97.02914	2.0
99.00880	22.1
101.02433	34.3
107.01366	2.1
108.02121	2.0
109.02962	2.3
113.02454	10.3
119.03483	3.8
123.04545	4.2
124.01558	1.9
125.02450	14.3
131.03493	10.0
137.02405	1.9
141.00667	2.5
141.01698	33.1
143.03441	3.2
146.80702	1.9
149.04544	54.6
151.00348	5.1
161.04503	5.9
161.07176	2.5
167.03464	5.6
169.01410	2.4
177.01842	3.2
179.05534	2.1
191.05574	8.8
193.12332	11.5
194.12672	5.8
195.12924	2.4
221.06612	5.9
251.07681	8.6
266.11249	2.0
277.23438	1.7
278.11035	2.6
281.13782	2.0
293.08688	5.0
311.09827	4.5
323.15076	2.2
353.12338	5.1
356.99127	4.7
362.12518	1.8
366.12610	1.8
399.00259	30.2
399.19220	1.7
400.00491	2.3
442.65115	2.6
447.09070	1.9
463.21829	2.7
468.10800	1.8
524.17999	4.2
529.07410	2.4
545.05981	4.6
545.26166	38.4
546.26123	2.3
559.27539	4.7
562.29962	2.4
605.26581	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	605.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
59.01376	29.4
60.01728	0.5
71.01376	8.0
73.02948	2.2
83.01392	0.6
85.02944	2.3
89.02421	1.0
95.01358	0.7
95.67628	0.5
97.02919	0.7
98.21855	2.0
99.00833	0.6
101.02441	3.5
103.01513	0.6
113.02449	2.5
113.06104	0.5
118.96625	3.2
132.98210	2.6
140.98735	0.5
151.07643	0.6
156.98102	2.4
156.99213	6.3
158.99745	1.0
159.03001	0.7
160.97672	1.6
161.04544	7.1
165.12813	0.7
170.99742	4.4
177.16475	2.6
182.99734	1.5
186.99182	1.1
189.00816	1.0
196.97693	1.1
198.99234	5.4
210.99271	1.2
217.00272	1.6
218.30574	0.5
221.15450	100.0
222.15791	2.9
259.01346	4.2
269.10751	0.9
315.18011	1.0
383.20746	17.0
384.20877	0.8
413.14935	10.3
447.22293	6.8
545.19116	43.9
546.19592	2.8
562.29126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06907	2.8
54.04016	3.8
59.01377	100.0
59.03176	2.7
60.43561	2.7
61.55440	2.6
71.01380	54.4
73.02948	23.7
85.02944	7.0
87.00836	4.8
89.02444	96.1
96.96004	3.5
99.00875	32.1
101.02450	37.1
113.02450	5.1
125.02446	13.3
131.03511	16.4
133.01413	7.9
141.01689	13.5
147.54933	2.9
149.04549	71.0
161.04590	7.0
167.03578	3.4
191.05603	14.0
194.88930	3.5
223.55606	3.5
232.73199	2.9
237.14932	4.9
251.07658	10.8
263.22794	3.2
293.08673	6.2
315.84915	3.7
352.76459	3.2
416.96817	8.4
545.26031	70.3
546.26550	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	605.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.7
61.98831	6.0
63.58064	0.7
69.40615	3.7
71.01377	4.0
72.99297	1.1
73.02924	1.0
75.00858	1.2
85.02950	1.0
89.02467	1.1
93.45266	0.8
95.01391	0.8
96.02176	0.8
101.02451	1.0
113.02402	1.2
123.00878	5.4
124.01652	1.5
125.02411	1.5
137.02498	1.3
151.07545	1.1
152.01158	2.5
165.01918	2.1
166.02734	0.9
236.14159	2.0
237.14961	3.1
249.14957	2.2
251.16530	1.2
264.13748	2.6
265.14441	100.0
266.15161	19.2
279.16016	33.8
279.19119	1.2
280.16840	4.1
281.17575	9.5
305.17560	0.7
323.18393	0.8
427.19897	1.4
428.20447	12.8
442.22049	8.7
443.22833	54.6
444.23053	2.2
444.52777	0.8
545.29626	2.3
552.35046	0.8
605.28217	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	605.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67041	3.5
51.69488	3.7
51.94973	3.6
58.94880	3.5
59.01076	3.8
59.01376	76.0
61.88530	3.8
71.01379	61.2
71.52631	3.6
72.00208	3.4
73.02936	18.3
74.48497	3.3
77.08159	3.8
77.62395	3.5
80.58083	3.5
85.02956	3.9
88.70132	3.8
89.02439	100.0
96.96011	69.8
99.00880	28.3
101.02446	35.9
103.38674	3.9
109.02985	5.3
111.00860	21.3
113.02438	12.0
123.00852	5.6
124.01688	3.9
125.02444	40.1
131.03485	14.5
137.02429	8.6
138.03204	4.4
138.20171	3.3
139.04022	4.6
149.04558	81.3
151.71892	3.8
169.01404	14.7
173.00856	4.2
175.03998	5.1
177.01952	15.7
183.02979	11.6
191.05637	19.6
214.86293	3.4
221.06628	8.3
243.02913	4.8
243.08907	3.8
251.07664	12.6
263.12888	7.9
280.13275	6.6
281.10541	7.4
281.13889	30.7
281.16769	5.3
301.03616	7.9
311.09637	4.5
407.02905	33.3
429.04959	4.0
443.19592	19.5
545.26025	69.3
546.27112	4.7
605.07941	23.8
605.24158	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.6
61.98816	8.5
71.01380	13.7
73.02934	5.3
83.11017	2.7
85.02945	5.9
87.00874	4.3
94.20409	3.2
101.02419	5.5
113.02425	4.4
125.02424	5.0
159.10292	3.1
185.11757	5.4
225.31447	2.7
245.17705	3.3
253.09213	3.7
304.61560	2.7
309.20660	7.8
320.63864	3.6
333.73248	3.4
357.26498	15.9
368.41513	2.8
417.15271	3.1
483.29114	3.6
501.30530	9.1
519.31696	32.4
561.32837	100.0
562.33112	6.9
605.32446	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45866	2.7
59.01372	15.0
60.13237	2.3
61.98828	100.0
64.98106	2.6
69.34039	12.3
71.01382	7.0
85.02948	3.1
89.02451	4.3
99.80962	2.8
111.08160	11.2
113.02460	3.3
125.02443	3.8
127.38177	2.4
129.54248	2.5
156.83453	2.5
161.04559	3.1
171.10277	4.9
173.03258	3.3
197.11815	30.9
211.05479	2.8
211.13394	6.1
227.12781	2.9
253.09277	30.0
288.67242	2.9
291.19684	12.4
309.20746	52.3
388.79041	2.8
397.14117	3.9
400.15015	2.8
605.31128	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08168	2.8
55.32242	2.7
57.03423	3.2
57.44471	2.6
59.01075	4.8
59.01376	89.1
61.98830	8.2
66.65612	3.3
69.12425	5.6
69.12832	13.0
71.01382	9.2
73.02951	4.8
73.94118	2.5
79.81105	2.8
83.01411	2.7
84.49953	2.9
85.02946	5.7
96.96008	9.3
101.02460	7.0
105.55417	3.6
113.02459	4.5
125.02480	6.3
139.11223	2.8
141.10207	2.8
166.92244	2.9
178.96255	4.2
179.82822	2.9
197.11835	4.0
199.13432	12.8
209.11858	4.3
211.13307	2.8
253.09290	5.3
291.19785	4.1
307.12640	2.8
309.20642	7.2
339.25369	4.8
357.26733	3.6
398.84732	3.0
501.30701	4.7
519.31836	4.0
536.87701	3.0
543.31940	7.4
545.30212	3.1
561.32770	100.0
562.33075	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	605.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
71.42932	0.7
78.44115	0.5
105.07091	1.5
122.03726	0.5
123.04536	1.3
134.96115	0.5
136.05293	13.8
138.03177	0.7
148.05287	1.4
149.04871	0.7
149.06073	15.2
150.06773	0.5
151.03967	1.8
157.30136	0.5
163.07631	1.8
165.05518	0.9
176.04706	0.6
177.09198	1.6
191.10767	1.6
205.12326	5.7
256.07413	0.8
259.17020	3.3
273.18576	1.7
286.26553	0.6
289.21671	1.6
299.78256	0.5
301.21744	7.6
302.22363	3.3
303.23187	6.5
315.23340	1.4
317.21204	1.6
318.21924	5.3
319.22806	1.9
342.21948	1.1
343.22821	5.4
357.24274	5.5
379.26382	0.6
423.25354	1.2
424.26022	0.9
491.93732	0.6
505.44186	1.1
522.51929	0.5
549.43079	2.1
561.46338	1.6
587.44940	1.1
605.45703	100.0
606.46100	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	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
61.98829	100.0
69.34487	1.1
98.22594	0.6
152.20950	0.3
170.44615	0.3
205.20998	0.3
366.94339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88855	0.3
61.98829	100.0
63.25648	0.3
78.21793	0.3
78.42112	0.3
98.22643	1.4
112.22002	0.4
159.87679	0.3
197.29395	0.4
229.91876	0.3
250.99294	0.3
307.26065	0.4
465.86798	0.3
471.02127	0.4
625.27368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19509	0.2
59.01371	0.4
61.98827	100.0
64.53242	0.2
69.11977	0.9
69.12386	0.3
72.14853	0.2
78.62513	0.2
98.21786	0.3
109.62415	0.2
148.53011	0.2
169.01521	0.3
244.54272	0.2
365.75250	0.2
554.30402	0.2
607.24487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23930	7.2
55.01871	9.5
59.01376	83.8
61.98836	8.0
69.41479	34.5
71.01376	33.2
72.00637	7.8
73.02930	15.0
83.01382	9.0
85.02939	16.1
89.02419	14.4
93.78767	6.5
96.96027	9.0
99.00864	8.4
101.02432	24.3
113.02436	14.5
125.02425	23.9
131.61066	8.0
161.02411	12.6
162.89859	6.5
177.01978	8.9
177.05510	8.1
281.08136	20.0
282.09137	8.5
283.09613	11.3
299.09113	10.6
311.09143	16.3
314.11560	9.4
326.11572	10.1
327.12418	8.0
329.13742	13.8
341.14053	10.6
371.14978	8.7
458.15366	6.8
473.18320	29.9
476.16821	11.7
485.18112	44.9
491.19202	38.5
503.19180	50.7
525.69604	8.4
533.20245	100.0
545.20532	45.4
547.27637	17.0
607.23016	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	607.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90488	0.6
57.03449	2.8
59.01376	4.4
62.64362	0.6
68.16892	0.6
70.14510	1.1
71.01389	2.3
73.02943	0.9
81.03476	1.4
83.01392	1.1
89.02453	2.0
95.01400	1.2
96.38232	0.7
96.96000	15.3
96.96586	0.9
97.02975	0.7
101.02457	1.6
107.01421	0.6
109.02965	1.9
111.00883	0.6
111.04530	1.6
113.02447	1.1
119.03522	0.8
121.02953	1.2
123.00860	3.3
123.04504	1.3
124.01656	2.6
125.02434	33.8
126.02782	1.3
135.04547	2.2
137.02443	3.2
138.03220	14.0
139.04008	3.1
148.05368	0.8
149.02426	1.4
149.04510	0.6
150.80113	0.6
151.03984	4.0
152.04776	1.8
153.01917	5.4
159.04532	0.9
161.02446	2.2
163.00385	1.9
164.01146	1.3
164.04814	2.1
165.01880	1.6
165.05699	0.6
166.02728	2.8
167.03496	8.9
169.01401	16.8
169.02780	1.1
175.00307	1.3
175.03995	2.8
176.01128	0.8
177.01920	13.2
177.05562	0.6
179.03477	0.8
179.05688	0.8
190.02748	0.7
191.03581	1.4
191.10803	3.4
193.12360	1.5
199.03998	0.9
201.09111	0.9
203.10745	6.4
211.04079	0.8
215.03467	0.9
217.05077	1.5
219.02975	1.4
219.10237	7.3
221.11819	4.6
227.03510	1.4
235.09743	3.5
237.11261	0.8
242.44386	0.7
243.02919	5.1
247.09724	1.5
253.10783	4.7
255.02946	1.8
257.04507	0.8
259.02802	7.1
261.04181	2.9
265.10779	63.8
266.11212	1.5
267.09128	1.2
267.12332	2.9
269.04572	0.8
273.04092	1.1
281.10272	100.0
282.10980	12.0
282.14185	0.7
283.02493	1.2
283.15494	2.1
285.03986	1.9
287.05518	0.7
295.02600	0.8
295.11810	1.8
297.03906	1.0
301.03500	2.7
303.05167	2.4
305.06683	3.2
307.11798	1.3
313.03625	0.7
319.04648	3.3
323.05551	0.8
325.03287	0.8
359.14911	1.0
415.23196	1.0
423.07092	2.2
427.15747	1.5
434.94608	0.7
439.06857	1.2
444.16342	20.3
445.16092	3.3
473.36215	0.7
481.07816	1.1
547.27728	3.5
589.09979	1.0
607.22321	47.5
608.22620	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	607.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.0
61.98821	4.6
69.03452	1.1
69.24503	4.7
69.24914	2.0
71.01380	19.3
73.02946	5.7
83.01401	2.8
85.02968	6.5
87.00868	1.8
89.02439	17.0
95.23153	1.1
96.96000	3.6
98.48508	1.0
99.00882	2.3
101.02441	14.1
113.02428	8.6
119.03477	3.2
125.02456	8.5
131.03497	2.5
138.02834	1.1
149.04558	3.4
149.06219	1.3
151.04033	1.9
151.75941	1.1
161.04597	1.6
167.03511	1.6
169.01479	1.7
175.07567	1.5
177.01915	2.3
190.10013	7.1
190.94183	1.3
205.12303	22.4
207.10165	1.1
207.14008	1.8
208.10983	1.6
223.13358	17.6
237.11354	1.4
243.03000	1.5
265.14398	3.8
283.15585	1.7
341.13992	1.1
367.67139	1.1
385.18643	100.0
386.18976	4.3
389.99396	1.1
415.23334	2.7
445.21042	1.4
517.31250	1.2
547.27673	20.4
561.29071	1.5
607.26337	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	607.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41677	0.2
57.03442	0.9
58.34361	0.3
59.01378	3.1
63.83514	0.2
65.27814	0.2
71.01385	3.7
73.02941	1.6
76.18226	0.3
83.01397	0.6
85.02943	1.6
89.02441	1.8
95.01401	0.6
96.02186	0.7
96.95995	0.3
97.02969	0.4
99.00862	0.7
101.02442	2.6
108.02167	1.1
109.02908	0.3
111.00896	0.4
113.02444	1.7
121.02988	0.3
122.03728	1.8
123.00809	0.4
124.01662	2.5
125.02462	3.9
132.71779	0.2
136.01680	0.3
137.02441	0.6
138.03258	0.4
139.04016	0.2
143.03514	0.3
146.24811	0.2
149.04526	0.4
150.03217	0.4
151.00354	0.3
152.01155	3.6
152.03291	0.2
153.01920	1.4
154.02794	0.3
159.03008	0.3
161.02448	0.7
161.04524	1.7
165.01942	0.5
166.02737	1.3
167.03474	1.0
169.01443	0.9
175.03999	0.3
177.01941	1.5
223.13431	0.3
223.96265	0.3
237.14937	9.3
238.15242	0.3
243.02864	0.3
253.14441	4.5
253.18066	0.6
265.14441	51.6
266.14792	2.4
267.16095	1.2
279.16229	0.3
281.13925	100.0
282.14584	9.5
283.15485	3.3
287.05823	0.4
293.13748	0.4
295.15500	3.2
307.15558	0.3
319.04721	0.3
337.16232	0.4
385.18616	0.7
415.23123	0.4
427.19775	2.0
444.19986	24.0
445.20682	3.1
547.27570	11.9
548.27942	0.5
565.59052	0.3
607.26086	23.5
608.26660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60334	0.5
51.74597	0.6
53.62086	0.6
55.01862	1.5
57.03414	1.0
59.01375	13.7
65.62356	0.6
69.03445	0.9
69.63385	0.6
71.01382	25.6
71.01775	1.2
72.99299	1.0
73.02944	10.0
75.00883	0.6
81.03444	1.1
83.01382	3.6
85.02943	10.9
87.00863	2.6
89.02003	0.7
89.02451	7.0
93.17241	0.6
93.77316	0.7
95.01372	2.1
97.02929	2.5
98.22665	1.6
99.00874	6.7
101.02444	19.9
101.49415	0.6
102.65575	0.6
111.00851	1.6
112.78904	0.6
113.02449	12.2
115.04025	1.0
119.03490	1.1
125.02465	5.1
131.03474	1.5
143.03470	1.6
149.04593	1.3
151.00391	0.8
159.02982	2.9
161.04570	11.8
177.01903	1.0
180.08020	0.7
181.24181	0.7
191.05656	1.1
202.02756	0.6
209.11835	11.3
225.07260	0.8
231.83177	0.6
233.06583	2.1
237.15004	0.7
239.09242	1.2
241.09964	1.2
253.18088	2.5
265.14404	2.9
281.13934	6.8
282.14746	0.9
293.08752	2.1
329.10144	2.7
341.10495	0.8
397.13486	5.2
400.98062	1.9
414.99615	1.1
415.14569	2.1
415.23337	3.0
444.20178	1.8
547.27563	100.0
548.27972	4.0
563.23749	0.9
607.26447	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	607.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64829	0.6
55.01871	1.6
55.09648	0.8
57.03438	4.7
59.01378	29.5
61.98828	3.9
69.03448	1.3
71.01379	29.9
71.44241	0.7
73.02557	0.8
73.02949	10.1
75.00860	0.8
81.03447	1.8
83.01387	4.8
85.02956	9.7
87.00867	1.2
89.02444	21.8
89.02998	1.2
94.49699	0.6
95.01384	2.0
95.05042	0.7
96.96019	5.8
97.02947	2.0
99.00887	9.0
101.02443	19.5
109.02972	1.6
111.00898	2.1
113.02448	11.7
115.03967	1.2
119.03496	2.7
121.02886	0.7
123.00912	0.9
123.04486	0.8
124.01678	1.1
125.02446	24.3
127.07626	1.1
131.03493	2.2
133.01639	0.7
137.02461	3.2
138.03203	0.8
139.04008	1.0
141.01720	1.1
143.03513	2.0
149.02521	0.7
149.04529	5.4
151.03990	1.8
153.01874	1.2
159.02969	1.2
161.02452	1.5
161.04570	7.1
163.00336	0.8
164.01257	0.7
165.01912	2.4
167.03514	7.1
168.03836	0.8
169.01421	6.0
175.04024	1.4
176.87854	0.7
177.01924	7.9
179.03552	1.9
179.05666	1.0
181.12352	0.7
187.03815	0.9
191.05606	2.1
193.01431	0.8
199.03992	1.1
203.03586	0.7
215.03546	0.7
217.05145	1.3
223.13385	59.6
224.13794	1.6
227.03471	1.1
233.06700	2.7
243.03006	2.2
253.18051	5.7
255.03059	1.0
257.04584	1.4
259.02393	2.3
261.04028	1.6
267.12296	1.6
269.04489	1.3
273.04089	1.4
283.15488	0.7
285.04065	1.8
287.05573	1.2
293.08929	3.8
293.11835	0.7
297.04068	1.5
301.03592	1.8
303.05115	2.2
305.06747	0.9
313.03580	1.3
315.05148	1.3
319.04468	0.7
325.03262	0.8
343.04559	1.7
355.04495	1.2
385.18637	9.3
415.23352	7.3
421.05704	1.4
439.06775	2.1
445.21011	1.0
469.07642	2.4
481.07431	2.1
487.04938	0.8
547.27570	100.0
548.28119	4.9
607.11005	2.6
607.26599	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	607.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53431	1.0
55.01881	2.1
57.03178	1.5
57.03436	7.5
59.01377	24.4
61.98840	1.3
69.03436	4.0
71.01007	2.1
71.01376	30.5
71.44643	2.1
73.02946	10.8
74.61684	1.1
81.03451	2.0
83.01385	6.7
85.02958	8.5
87.00838	1.8
89.02439	19.8
93.03439	1.7
96.96024	1.9
97.02944	3.2
99.00882	8.9
101.02441	16.4
109.02937	5.0
111.00861	2.6
113.02469	8.2
115.03987	2.0
119.03487	1.6
121.02933	2.5
123.00860	4.0
123.04499	2.8
124.01630	3.3
125.02445	75.5
126.02750	3.4
128.54442	1.1
131.03534	2.1
135.04558	1.9
137.02455	9.5
138.03151	1.8
139.03972	4.1
140.98938	1.2
143.03500	2.2
149.02400	3.8
149.04533	2.9
151.03987	4.0
152.01094	1.9
153.01944	1.4
159.02956	1.4
161.02428	2.9
161.04524	5.3
163.00349	2.8
164.01189	3.1
165.01868	5.9
166.02725	2.4
167.03510	13.4
169.01421	31.4
170.01700	1.9
171.04414	1.3
175.00433	2.8
175.03961	5.7
176.01033	1.4
177.00441	2.4
177.01929	33.9
177.05560	1.5
179.03505	3.4
187.04001	1.2
191.03484	2.4
191.05470	2.5
193.01457	1.5
199.04007	1.7
215.03497	1.6
216.59027	1.2
217.05086	2.9
219.02907	1.4
219.06593	2.8
229.05194	1.9
233.06650	2.4
237.14995	7.9
241.04973	1.4
243.02951	5.8
253.18108	6.1
255.02960	1.3
257.04678	1.6
261.03964	3.9
265.14435	32.4
271.02841	1.4
273.04050	1.3
281.13919	26.1
282.14594	5.1
283.15414	4.0
285.03937	3.6
293.08670	3.3
296.25620	1.3
297.04092	1.4
297.07364	1.3
301.03601	3.5
303.05042	10.1
305.06622	15.0
319.04532	4.1
376.05478	1.2
415.23312	4.7
421.05219	1.6
423.07208	2.4
427.20255	1.2
429.08020	2.3
439.06696	2.3
444.20099	7.9
445.20645	2.3
469.07095	1.6
481.07690	2.2
547.27570	100.0
548.28040	5.7
607.10199	2.0
607.26483	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	607.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84520	1.1
57.03454	7.4
57.42131	1.2
59.01376	24.2
61.98819	2.7
69.03456	1.5
69.88419	2.8
71.01382	34.2
71.22801	1.1
72.99276	1.8
73.02939	14.5
73.91228	1.2
81.03446	2.7
83.01393	6.4
83.05006	1.2
85.02955	16.5
85.06602	1.5
87.19330	1.1
89.02444	13.1
93.03429	2.1
95.01400	3.9
96.96011	3.3
97.02956	3.5
99.00877	6.2
101.02437	24.8
107.01435	1.4
109.02965	4.2
111.00878	4.6
113.02437	14.3
119.03459	2.3
121.02943	2.8
123.00882	3.9
123.04517	2.4
124.01647	4.9
125.02446	81.2
126.02785	3.0
126.90495	1.5
131.03506	3.5
133.02942	1.7
137.01465	1.2
137.02425	6.4
138.03268	1.9
139.04013	4.2
149.02451	4.6
149.04509	1.5
151.04042	4.5
153.01962	2.0
159.02995	4.3
161.02487	6.1
161.04521	14.9
163.00352	2.1
164.01128	1.5
165.01918	3.4
165.09172	1.3
166.02715	3.9
167.03499	24.1
169.01416	33.8
170.01711	1.9
175.03992	4.0
177.01926	25.5
179.05598	1.2
193.01430	2.1
199.04088	2.4
201.05551	1.3
203.03442	1.4
217.04985	3.1
223.13382	63.4
228.34489	1.4
233.06610	1.3
237.14955	11.4
243.02930	9.6
245.14886	1.3
251.09171	1.8
253.18042	2.1
255.02838	2.2
259.02417	1.4
261.04004	2.2
267.02808	1.2
267.12369	5.0
268.13113	7.5
269.04645	1.6
273.04150	2.0
279.02838	1.5
283.11877	1.5
283.15240	1.9
283.68771	1.5
285.04019	3.4
287.05566	3.0
301.03500	3.6
303.05109	7.1
305.06799	2.6
319.04645	5.3
345.15485	1.2
385.18649	10.0
399.20242	27.4
400.20377	2.6
415.23398	16.0
430.18359	1.3
438.05954	2.5
445.06226	1.3
445.21371	6.5
547.27594	100.0
548.27856	5.5
561.25403	1.5
607.26617	8.0
630.62634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.9
59.01379	68.9
61.98806	1.3
63.58878	0.9
69.91403	1.0
71.01379	12.5
72.99277	1.2
73.02949	5.0
83.01397	2.5
84.93536	1.1
85.02953	8.7
87.00876	2.1
93.73689	0.9
99.00876	3.1
101.02464	8.2
112.01643	1.3
113.02425	7.0
125.02435	4.6
137.09738	4.0
143.03459	1.8
147.68854	1.1
155.10773	5.7
157.12355	2.8
161.04552	1.0
169.12343	1.2
192.00659	2.0
201.14937	5.3
207.02988	1.2
230.15150	3.4
234.01546	1.1
327.07266	1.2
359.27945	12.7
359.64954	1.1
362.84619	1.0
401.10388	1.2
475.02155	1.0
476.69385	1.0
503.32260	100.0
504.32550	4.7
521.33301	29.4
522.33990	1.2
545.33484	1.5
563.34650	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	607.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50153	27.5
69.50574	18.5
106.19764	8.9
111.00903	14.3
124.98795	19.4
135.53973	8.4
139.00369	65.0
165.15463	9.8
166.99828	20.4
201.34352	7.7
248.60521	8.5
260.24835	8.8
262.97739	8.1
419.29135	8.8
441.66589	9.5
515.58734	8.7
517.27844	14.3
519.25909	30.7
534.28320	15.3
545.27747	16.3
547.25452	24.8
549.30579	26.7
562.27673	50.7
575.32349	25.9
577.30060	68.0
592.32629	90.1
607.34790	100.0
608.35040	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	608.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.0
59.01381	6.7
60.80651	0.9
61.98821	3.0
69.37004	2.0
69.37405	3.2
71.01385	3.2
73.02961	1.3
75.24409	0.8
83.01390	0.8
83.66328	0.8
84.06899	0.7
85.02975	0.9
89.02430	2.3
90.91568	0.9
92.05058	39.0
96.96056	1.7
101.02428	2.4
105.03496	1.1
108.02223	1.2
109.02991	1.9
111.00874	1.6
113.02445	1.7
114.93421	0.8
120.32021	1.0
121.02937	2.1
125.02427	2.9
133.02922	1.6
136.01700	1.1
136.04039	33.5
137.02429	2.5
138.03171	1.0
148.01788	0.9
149.02440	3.2
149.04446	1.2
151.03998	1.2
161.02458	5.2
162.03209	1.2
163.00343	3.3
164.01137	3.0
165.01901	3.9
166.02695	2.2
167.03523	1.8
175.04004	1.2
177.01939	10.2
178.02719	2.8
178.99808	1.4
189.01933	4.9
190.02747	8.2
190.99873	18.7
191.03514	1.7
192.00644	66.1
193.01398	29.1
193.05127	1.2
194.02173	3.3
195.02910	0.9
204.00699	1.3
205.01405	9.9
205.05103	1.9
206.02122	2.7
207.02980	100.0
208.03384	1.5
218.99278	1.7
219.03023	1.7
220.00095	1.5
221.00938	2.9
222.01721	2.3
231.02924	2.7
232.03703	5.3
233.00919	9.9
234.01671	10.1
235.02509	1.3
237.04002	2.6
247.06041	1.1
248.03252	1.3
249.04044	11.9
276.02789	1.7
291.05130	4.8
293.02963	1.0
294.03830	1.2
294.64624	1.0
295.04520	1.1
309.06107	6.5
314.11371	1.3
325.95807	0.9
329.14172	1.7
330.14218	2.2
341.13940	1.0
354.05832	7.8
355.06619	2.5
356.07404	2.2
369.08313	9.5
396.06964	1.4
399.09399	1.5
405.77197	0.9
411.09222	2.1
432.09198	1.4
446.10934	24.5
453.10675	1.4
471.11435	17.1
547.27716	4.7
548.27686	4.2
550.97351	1.1
593.13690	2.5
608.16187	23.4
608.25836	1.2
609.15356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.3
59.01374	0.3
61.98828	100.0
65.95713	0.2
95.23563	0.2
98.22595	0.5
134.64433	0.3
280.37723	0.2
327.17761	0.2
367.92719	0.3
567.75586	0.3
608.32184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.6
61.98825	100.0
80.96503	0.5
83.09718	0.4
96.80135	0.4
100.95409	0.3
105.22395	0.4
123.94952	0.4
125.02442	0.5
155.97218	0.4
161.93408	0.4
169.01471	1.0
225.74872	0.3
416.98566	0.5
420.17523	0.4
474.00443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25942	0.8
61.02581	0.9
61.98829	100.0
70.98667	0.7
71.43336	0.7
76.82474	0.7
88.70537	0.7
110.94131	0.7
133.54042	0.8
140.29138	0.8
141.34361	0.8
183.97495	0.8
218.45419	0.8
219.32095	0.7
294.88116	0.8
317.35977	0.9
372.22638	0.8
484.82288	0.8
503.00146	0.8
603.77692	0.8
608.32043	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	609.1246
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
56.71117	0.9
57.03447	12.8
69.01875	0.9
69.57693	4.1
69.58029	1.0
81.03458	2.0
83.01398	3.6
93.03448	2.4
93.50939	1.0
95.01391	1.6
95.05062	1.4
97.02924	1.2
98.22536	2.2
106.26015	1.0
109.02965	9.3
111.04516	7.8
121.02961	4.6
123.00894	3.8
123.04490	1.2
124.00733	1.3
124.01663	1.8
125.02447	100.0
126.02861	1.4
133.03021	1.3
137.02440	23.0
139.04021	12.0
149.02438	5.8
151.04016	4.3
161.02414	2.5
161.62856	1.0
163.03992	2.3
164.01208	4.8
165.01930	11.5
167.03482	12.4
169.01582	1.0
172.01100	1.2
175.03996	6.7
177.01929	73.7
177.05525	3.9
178.02548	2.5
179.03481	10.2
187.03992	3.0
189.05530	1.4
191.07141	1.4
201.05667	1.5
203.03471	1.4
204.04318	1.8
205.01387	2.0
205.05113	1.4
211.03970	1.9
215.03609	2.0
217.05061	2.3
219.03125	1.5
219.06609	9.0
221.04642	5.0
227.03474	2.0
228.04384	1.6
229.05038	4.5
243.03027	6.9
253.04985	1.7
255.03029	19.4
256.03717	6.4
257.04581	3.1
261.04044	3.5
261.07593	1.0
269.04541	3.4
273.04001	4.7
282.01654	1.8
283.02484	11.6
285.04071	5.6
287.05753	1.2
297.04022	6.3
298.04459	1.1
303.05078	8.6
305.06677	72.5
306.06970	1.8
349.37701	1.1
350.80145	1.2
355.08200	2.3
397.09247	1.4
423.07214	84.8
424.07477	4.5
441.08273	22.0
442.08505	1.4
483.09311	5.2
576.15033	1.0
591.11499	1.6
609.12701	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	609.1241
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
57.03444	13.1
59.01363	0.9
60.59134	0.8
67.31829	1.0
70.85830	1.3
71.01385	2.0
75.00885	0.9
81.03469	3.1
83.01386	2.5
85.02956	2.7
87.00883	1.1
89.02454	0.9
93.03465	3.6
95.01385	1.5
95.05019	1.5
97.02966	1.9
105.03469	1.3
109.02951	8.8
111.00890	1.1
111.04515	6.2
113.02458	1.9
116.43433	0.8
121.02960	5.7
123.00877	4.4
124.01637	2.5
125.02444	100.0
131.05038	0.8
133.03006	1.2
135.04529	1.0
135.80824	0.9
137.02438	28.0
138.03214	1.6
139.04015	13.9
149.02454	7.0
151.02991	0.8
151.03964	4.6
159.04527	1.8
161.02457	2.9
163.03954	2.0
164.01157	4.7
165.01891	10.7
165.03009	1.0
167.03488	14.3
175.03957	7.6
177.01921	73.2
177.05505	3.3
178.02365	2.4
179.03523	9.4
183.04538	0.9
187.04001	3.5
189.01851	0.9
189.05598	1.5
191.01979	1.7
191.03497	1.5
191.07259	1.3
199.04047	1.6
201.05556	1.3
203.03543	2.0
204.04263	1.9
205.01508	2.3
205.05043	1.0
209.81642	0.9
211.03993	1.6
213.05566	0.9
215.03474	2.1
217.05109	2.9
219.02979	1.2
219.06570	7.4
221.04567	4.6
227.03500	2.5
228.04279	1.0
229.05052	3.4
231.03070	1.0
231.06506	1.0
234.47610	0.8
243.02966	8.8
245.04594	1.1
246.01572	0.9
255.02977	15.7
256.03714	5.6
257.04517	3.2
261.04050	4.3
261.07474	1.7
267.07236	13.6
269.04581	3.2
273.04031	5.9
282.01740	1.1
283.02475	10.7
285.04111	4.5
287.05621	1.1
297.03979	6.0
298.04733	1.1
299.05594	1.7
303.05157	7.3
305.06653	60.0
306.07083	1.5
307.94550	0.9
315.05103	1.4
318.07874	0.9
347.07858	1.0
355.08502	1.7
361.06921	0.9
397.09210	2.2
423.07190	74.2
424.07541	3.5
441.08286	20.7
442.08505	1.1
453.08539	0.9
465.08536	1.2
483.09378	7.2
508.49316	1.0
565.11420	1.0
591.10754	1.4
591.39484	1.0
609.12427	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1244
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
57.03447	10.5
58.14156	1.2
68.81078	1.0
69.03460	1.3
71.05763	1.1
71.19123	1.2
73.76181	1.0
77.21496	1.1
83.01394	3.4
93.03452	2.2
97.02932	2.8
102.26146	1.0
107.04971	1.4
109.02934	9.0
111.04521	6.5
116.60815	1.0
121.02964	6.2
123.00882	2.9
124.01662	2.1
125.02448	100.0
126.02707	1.4
133.02962	3.1
137.02448	22.4
139.04012	11.9
149.02477	8.8
151.03999	5.2
159.04526	1.5
161.02455	3.2
163.04012	2.6
164.01175	3.4
165.01917	11.9
167.03505	15.7
175.04030	6.5
177.01918	79.1
177.05453	2.6
178.02458	2.2
179.03511	11.0
187.03992	4.2
191.03394	1.5
193.04974	1.3
203.03465	2.6
204.04268	2.9
205.01437	2.6
215.03421	1.8
217.05058	2.0
219.02992	1.9
219.06596	6.9
221.04491	6.6
227.03658	1.3
228.04381	1.7
229.04979	4.5
231.06453	1.6
243.02960	7.6
243.06729	2.4
255.02953	19.5
256.03741	5.0
257.04562	3.2
261.04037	4.9
261.07504	1.8
269.04425	2.1
273.03995	5.3
283.02432	12.7
285.04071	4.0
297.03976	6.0
303.05103	8.8
305.06650	68.9
306.07193	2.6
306.19659	1.4
315.05069	3.6
355.08109	1.7
397.09357	1.9
423.07199	92.9
424.07455	4.1
441.08231	24.0
442.08575	2.1
483.09375	7.6
538.72119	1.3
609.12360	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.9
59.01377	3.9
71.01363	2.8
71.44106	1.5
81.03436	2.2
83.01363	2.8
92.32038	1.5
93.03436	2.5
95.01369	2.2
97.02966	2.2
102.92667	1.5
107.05026	1.6
109.02939	9.0
110.84709	1.6
111.04501	5.3
121.02957	7.2
123.00872	4.7
124.01622	3.6
125.02442	100.0
128.67857	1.4
137.02449	23.1
138.86807	1.4
139.04008	11.7
149.02379	6.4
151.04010	4.9
161.02437	2.4
163.03915	2.2
164.01062	3.5
165.01939	12.5
167.03476	10.3
169.01424	4.1
175.03961	6.4
177.01921	62.8
177.05548	2.9
179.03500	8.6
187.04051	3.6
191.07109	2.3
201.05432	2.3
203.03543	3.1
204.04225	2.8
205.01445	1.7
215.03474	1.9
219.06505	7.5
221.04515	3.8
227.03610	2.1
229.05034	2.2
243.02956	4.9
250.77605	1.8
253.05293	1.9
255.02945	14.8
256.03735	4.0
257.04535	3.8
261.04034	3.0
261.07181	1.8
265.76563	1.6
269.04568	3.0
273.03912	3.8
283.02377	11.9
285.03983	2.2
297.03992	5.9
303.04996	6.7
305.06656	67.8
315.05038	2.3
355.08173	1.7
397.08783	2.4
423.07224	81.4
424.07443	2.5
441.08267	17.5
442.08661	2.0
483.09503	4.3
609.12201	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	609.1246
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
52.26557	0.9
54.49328	1.0
57.03444	9.3
59.01387	1.8
59.12252	0.9
69.32352	3.4
81.03431	1.1
83.01383	4.1
93.03458	3.0
95.01379	1.5
95.04990	1.2
97.02945	1.2
109.02939	8.4
111.04532	5.4
121.02929	4.9
123.00893	3.7
124.01652	2.9
125.02443	100.0
126.02819	1.4
133.03018	2.0
135.04564	1.5
137.02438	21.5
139.03989	11.8
140.21414	0.9
147.04486	1.2
149.02417	7.6
151.03983	5.5
159.04480	1.4
161.02454	2.2
163.03996	2.2
164.01157	2.8
165.01950	11.5
166.02657	1.8
167.03477	15.1
168.03874	1.2
169.01456	9.0
170.01814	2.1
175.03964	6.2
177.01920	66.9
177.05562	2.8
178.02322	2.9
179.03543	8.0
187.03993	4.2
191.07065	1.1
193.05037	1.0
199.03973	1.4
201.05602	1.3
203.03493	1.6
204.04260	1.9
205.01280	1.1
213.05531	0.9
215.03448	1.1
217.05049	1.9
219.06596	6.9
221.04572	4.9
229.05058	2.7
243.03012	5.8
255.02972	13.3
256.03674	3.8
257.04501	1.6
259.05881	1.0
261.03986	3.3
261.07611	2.1
269.04501	3.0
273.04031	7.8
283.02432	7.7
285.04019	3.6
297.04013	3.8
303.05075	9.1
305.06647	68.3
306.06906	1.8
315.05042	2.2
355.07965	1.5
397.09470	1.4
423.07208	63.1
424.07330	2.6
441.08267	21.8
465.08484	1.0
483.09436	7.4
549.25641	1.5
609.12177	8.6
610.13043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.0
59.01382	1.6
59.86005	0.9
65.85359	1.1
67.04742	1.2
70.78822	1.5
81.03444	2.1
81.56420	1.1
83.01377	3.5
93.03461	2.5
95.01435	1.3
95.05025	1.7
97.02924	2.2
107.05035	2.5
109.02946	10.1
111.04534	5.2
113.77121	1.1
121.02934	4.4
123.00910	3.0
123.04502	1.1
124.01639	3.0
125.02446	100.0
131.05006	1.1
133.02957	1.3
137.02440	25.8
139.04001	15.2
149.02441	7.9
149.06096	2.1
151.03976	4.6
155.05106	1.1
159.04518	2.5
161.02438	2.1
161.04565	1.3
163.03992	2.1
164.01126	4.7
165.01915	13.3
167.03461	14.0
169.01515	1.3
175.04019	6.1
177.01924	75.3
177.05464	2.4
178.02400	1.5
179.03468	7.8
187.04021	3.9
189.05528	1.3
191.03481	1.9
191.07091	1.8
193.05035	1.7
199.03999	2.7
203.03499	2.1
204.04135	1.7
205.05153	1.5
210.84619	1.1
211.04019	1.9
215.03546	1.7
217.05119	2.3
219.06583	9.3
221.04521	4.0
227.03430	2.6
229.05067	3.6
243.02962	6.5
255.02974	19.4
256.03806	5.3
257.04544	4.1
261.04050	2.5
261.07764	2.0
267.08939	1.3
269.04333	2.2
273.04034	4.4
282.01736	1.6
283.02405	11.4
285.03955	4.4
297.03967	6.5
299.05313	1.4
303.05060	7.3
305.06641	62.9
315.05142	2.0
337.33606	1.1
355.08249	2.9
397.08972	1.5
423.07190	80.9
424.07300	3.7
441.08218	27.2
468.76965	1.1
483.09201	7.1
591.10583	1.4
609.12512	8.5
631.51306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1246
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
57.03444	10.5
62.45956	0.8
69.83819	2.2
69.84212	1.9
81.03473	2.2
83.01424	2.0
90.77951	0.8
93.03448	2.2
95.01365	1.1
97.02934	1.5
98.15105	0.9
105.03427	1.7
109.02969	7.1
111.04494	4.8
121.02960	4.2
122.90005	0.9
123.00872	2.7
123.04504	1.5
124.01643	2.4
125.02441	100.0
126.02776	2.9
133.02968	1.9
134.03728	2.8
135.04459	1.1
136.48337	0.9
137.02438	23.7
138.03275	1.6
139.04002	10.2
149.02469	6.4
149.06078	2.0
151.03986	4.0
161.02423	2.7
163.03976	2.2
164.01155	3.1
165.01929	11.4
167.03490	13.2
169.01424	2.7
175.03976	5.7
177.01915	67.0
177.05525	2.7
178.02486	3.4
179.03493	9.6
187.03999	3.2
191.03613	0.9
191.07141	1.6
193.05031	9.7
199.04047	1.3
201.05658	1.2
203.03484	2.7
204.04224	1.3
215.03604	1.4
217.05038	1.9
219.03081	1.3
219.06613	6.3
221.04572	4.8
225.05574	1.1
229.05020	2.7
243.03107	4.9
243.06500	1.4
247.02403	0.9
255.02933	9.8
256.03723	3.1
257.04437	2.3
259.06024	1.8
261.04001	3.4
261.07678	2.7
263.05597	1.1
269.04382	1.5
273.03961	7.5
281.06662	2.5
282.01721	1.2
283.02438	7.2
285.04077	3.7
297.03976	4.0
303.05084	9.9
305.06653	67.0
306.06836	3.5
315.04929	2.0
344.45691	1.0
355.08041	2.7
397.09274	1.0
423.07187	63.5
424.07333	3.2
441.08319	21.4
442.08694	1.6
465.07944	1.1
483.09268	7.7
591.11493	1.8
609.12445	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.65168	0.2
61.98822	0.4
65.03973	0.5
66.24180	0.2
69.56445	0.2
70.37819	0.2
71.01385	0.7
73.02937	0.4
85.02943	0.4
89.02452	0.4
93.03457	43.2
94.03799	0.5
96.96017	0.7
98.72847	0.2
100.37273	0.2
101.02477	0.4
121.02847	0.2
125.02438	1.0
133.02879	0.3
135.00909	0.2
137.02443	100.0
138.02812	1.0
147.69582	0.2
149.02428	0.5
150.03210	0.2
152.01172	0.2
161.02438	0.8
162.03246	0.2
163.00417	1.3
163.04050	0.3
164.01154	0.4
165.01935	0.6
166.02679	0.5
167.03508	0.5
177.01974	1.4
178.02695	0.9
178.99802	0.3
189.01866	0.6
190.02696	1.5
190.99838	4.6
192.00653	7.4
193.01421	5.2
194.02113	0.3
203.03503	0.3
205.01384	1.6
206.02174	0.4
207.02980	5.4
219.03033	0.5
221.00993	0.3
222.01741	0.6
231.02850	0.3
232.03799	0.7
233.00951	0.8
233.63690	0.2
234.01720	1.1
235.02527	0.5
237.03830	0.4
247.06215	0.4
249.03996	1.3
291.05069	0.8
309.06177	1.2
354.05942	1.9
369.08234	4.6
399.09674	0.2
411.09311	0.7
447.09415	0.8
453.10269	0.3
471.11395	4.0
477.23499	0.4
609.14636	2.6
609.25372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98825	0.5
63.02395	0.9
65.00313	1.9
70.94513	0.4
70.94883	0.7
71.01375	0.5
71.37215	0.4
78.08842	0.4
83.01390	1.5
92.52358	0.4
93.03445	0.5
107.01377	3.4
108.02155	1.9
109.02939	1.5
111.63641	0.4
116.92817	0.9
121.02944	3.1
123.00928	0.5
125.02441	3.7
135.00876	1.0
136.01678	0.6
137.02455	1.0
148.01721	1.1
149.02422	0.8
151.00368	13.9
152.01154	0.5
159.04527	0.5
161.02486	0.8
163.00348	2.5
164.01164	1.5
167.03503	0.7
167.05037	0.4
169.01414	3.5
175.04129	0.4
177.01939	1.3
178.99850	8.4
187.03986	1.0
191.03331	0.4
192.00677	0.9
193.01364	0.5
199.04056	0.9
201.05577	0.7
209.07462	0.4
211.03992	0.9
215.03534	0.9
216.04285	0.5
226.02657	1.6
227.03531	3.3
229.05081	0.6
243.02980	11.0
244.03561	0.7
245.04520	1.8
254.02299	2.1
255.02975	27.8
256.03427	0.7
271.02466	59.9
272.02979	3.1
273.04007	1.3
281.13974	0.7
283.02481	1.4
299.02011	2.3
300.02734	100.0
301.03503	42.8
302.03775	0.9
305.06577	0.8
313.03418	0.4
318.50336	0.4
343.04529	0.8
447.09280	13.3
457.07736	0.6
463.08759	0.7
609.14545	98.2
610.14966	3.0
625.02228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01368	1.9
59.92947	0.7
63.78910	0.9
69.88725	1.8
69.89034	0.9
71.01385	1.2
75.39104	0.9
81.50462	0.8
84.59921	0.8
85.02974	1.6
89.02448	1.1
101.02427	1.2
107.01389	0.9
111.14584	0.8
123.00842	0.9
124.01593	1.2
124.98799	1.9
125.02448	10.8
126.02754	1.2
137.02405	1.3
139.00372	5.2
147.04507	1.4
149.02455	0.9
149.06036	1.4
152.01212	1.1
153.01930	11.4
165.01889	0.9
165.05583	13.5
166.99858	2.3
167.03462	2.8
169.01385	7.5
175.03986	3.0
177.01944	4.3
177.05531	4.0
179.03448	1.3
179.07104	1.5
181.01401	1.9
181.05022	2.2
183.02939	1.0
183.06700	1.0
191.03479	2.2
192.04294	7.0
193.05052	40.2
194.05827	29.9
195.06435	1.4
202.56546	0.7
207.06586	2.9
208.07353	1.2
209.04533	8.6
209.08160	9.8
210.05273	6.4
211.05965	1.6
219.84605	0.8
223.06058	1.5
225.04092	5.8
225.07581	1.1
226.04852	3.3
227.05583	10.1
237.04060	5.7
238.04842	7.3
239.05540	2.1
241.07121	1.4
252.06256	2.1
253.03574	5.3
253.07158	19.1
254.04329	18.1
254.07162	1.3
255.05099	32.7
265.14420	3.4
266.14835	2.5
267.08701	2.1
267.15088	1.8
268.05798	1.1
269.06653	31.1
269.09537	1.9
270.07443	14.7
281.13821	2.5
282.14240	1.6
284.08905	1.4
285.09717	11.6
305.06558	1.8
399.09222	3.2
415.12448	1.4
417.10339	31.5
423.07022	1.0
431.11874	3.3
432.12653	9.5
447.15057	57.7
448.15308	2.1
495.30487	0.9
549.28888	1.7
579.35040	0.8
594.17993	8.6
609.20239	100.0
610.20599	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	609.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.3
59.01376	100.0
61.98842	2.0
70.35629	1.2
71.01380	49.6
71.43468	1.4
73.02952	9.5
75.84189	1.3
78.02827	1.3
78.44812	1.4
83.01383	3.9
84.26762	1.5
85.02947	9.0
87.00868	2.7
89.02442	56.8
93.03445	1.4
95.01376	3.1
96.96017	7.1
101.02438	28.0
109.02974	2.5
113.02457	21.9
116.92898	1.5
119.03503	22.7
123.00905	2.1
125.02450	36.9
126.02808	2.1
131.03499	3.2
131.07193	1.5
137.02455	6.0
139.03949	2.0
143.03456	6.7
149.04564	3.8
159.04622	1.4
161.04547	11.4
165.01883	2.0
167.03529	3.2
169.01382	8.0
177.01906	19.3
177.05510	2.0
179.03595	2.0
179.03937	2.6
179.05621	28.6
191.03461	1.9
211.55598	1.4
219.06596	2.7
221.04765	1.8
223.05963	1.6
255.03069	1.6
261.03702	2.0
271.02438	3.8
293.12329	3.8
299.01935	4.9
300.02695	2.5
301.03476	5.0
303.04950	3.5
305.06717	19.2
423.07077	5.3
439.06793	1.5
447.14929	1.6
483.09219	2.8
549.25494	16.2
609.12610	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04647	0.2
63.36703	0.2
69.44648	0.8
71.15279	0.2
74.71223	0.2
75.80560	0.2
80.75366	0.2
85.09338	0.2
95.01388	0.9
96.02153	3.2
105.03167	0.2
111.00876	0.5
123.00864	1.6
124.01660	7.1
125.02402	0.3
138.03224	0.3
139.00336	0.3
151.00389	0.5
152.01152	7.8
165.01822	1.0
166.02695	2.2
184.00102	0.5
195.17499	0.4
265.18063	6.6
293.17566	100.0
294.17899	2.8
298.26425	0.2
304.23508	0.3
609.34033	7.8
610.34448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48239	0.1
55.01877	0.1
59.01360	0.2
69.63666	0.4
78.73437	0.1
95.01380	0.9
96.01556	0.2
96.02166	3.6
98.21836	0.1
108.02195	0.1
108.63330	0.1
111.00891	0.6
123.00874	1.4
124.01658	7.8
125.02482	0.1
138.03252	0.2
139.00352	0.2
151.00407	0.3
151.30334	0.1
152.01144	8.6
153.01938	0.2
163.33073	0.1
165.01842	0.8
166.02698	2.1
184.00153	0.6
195.17567	0.4
221.19090	0.2
247.17018	0.2
265.18057	6.4
266.18393	0.2
275.16397	0.2
293.17560	100.0
294.17889	3.7
609.33978	6.1
610.34332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03439	7.1
59.01377	100.0
61.98814	3.5
67.06905	1.6
67.44168	1.5
69.03468	3.6
71.01384	28.6
71.44519	2.0
73.02942	12.3
75.00903	1.9
81.03458	2.3
83.01385	7.4
83.04999	2.8
84.95110	2.8
85.02959	12.7
86.54020	1.6
87.00875	4.3
88.98801	2.3
89.02441	14.8
95.01393	3.8
96.96004	4.4
97.02979	2.2
99.00899	5.1
101.02448	24.0
108.02183	3.3
109.02966	2.8
111.00862	3.8
113.02460	15.1
119.03506	5.3
124.01650	2.2
125.02470	12.2
137.02516	2.4
143.03487	4.4
152.01128	2.6
153.01944	2.2
155.10812	3.1
157.12277	4.2
161.04547	7.0
163.24629	1.9
179.05627	4.0
181.12375	2.7
183.13879	6.7
192.00603	1.9
201.14854	2.7
211.13385	80.5
225.94690	1.9
235.08305	4.1
243.06612	8.1
339.11340	5.2
361.25684	6.7
361.29663	10.2
383.10251	5.2
397.08618	3.9
397.13489	45.4
397.18631	2.8
398.13849	1.9
415.14529	21.9
445.19189	3.4
461.22476	2.7
496.59155	1.8
505.21967	3.0
505.33783	97.3
523.34808	27.4
549.20441	3.8
565.35809	11.8
609.22516	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
56.26261	0.7
57.03436	3.4
57.09086	0.6
59.01378	56.2
59.75035	0.7
60.32167	0.7
61.98830	4.9
68.76787	0.8
68.95663	0.7
69.03466	1.2
69.55082	2.8
71.01376	13.2
72.99284	1.0
73.02950	4.5
81.03452	0.8
83.01390	3.7
84.88407	0.7
85.02950	9.5
87.00877	2.3
87.04513	1.5
88.98798	2.0
89.02443	3.3
89.48188	0.7
95.01395	2.7
96.96027	1.4
97.02963	1.8
99.00874	2.7
101.02452	8.3
104.53628	0.7
109.02933	1.9
111.00864	1.9
112.01692	1.2
113.02455	5.3
123.08151	1.0
124.01659	1.1
125.02442	4.4
135.04561	0.8
137.02470	1.0
138.71503	0.7
139.03862	0.9
139.11343	0.7
141.12837	1.3
143.03497	1.3
143.10785	0.9
153.01917	1.0
153.09270	1.5
159.03049	1.0
161.04550	1.2
167.03435	0.8
169.12416	0.9
171.13867	2.5
177.68980	0.7
187.13478	1.3
192.00639	1.5
193.01283	0.9
201.14977	2.0
209.37245	0.8
211.13382	3.0
217.14444	1.1
315.25522	1.8
359.28000	3.3
361.29639	10.7
397.13385	1.1
457.31543	1.2
505.33813	100.0
506.34012	5.0
523.34827	22.2
524.34906	0.8
563.50916	0.8
565.36200	5.4
609.26202	2.6
633.51025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38207	1.4
61.75772	1.2
69.73849	4.3
75.91513	1.2
78.01103	3.7
79.67809	1.3
91.16212	1.2
96.02142	2.1
98.21925	3.0
123.00887	2.6
124.01669	5.4
147.06801	1.2
152.01111	4.8
166.02695	1.8
173.06042	1.4
187.03995	2.4
188.04744	2.1
197.06197	1.7
203.03481	1.8
215.03384	7.0
219.17514	18.5
219.96228	1.4
225.05493	1.6
241.36168	1.3
265.14700	3.3
265.18018	7.5
289.21759	2.1
291.15967	4.8
293.17615	44.6
293.21036	3.7
294.18002	1.6
317.21338	1.8
356.19846	4.0
357.20813	2.1
374.07092	1.3
374.20523	1.4
400.19107	2.1
476.73578	1.5
481.40680	2.6
493.40366	4.2
506.08469	1.5
537.39453	3.7
553.38843	6.1
565.39294	1.6
609.37903	100.0
610.38458	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29383	0.8
56.82791	0.8
71.41763	1.1
77.88667	0.9
78.01092	2.4
80.09086	0.9
86.69975	0.8
94.07402	0.9
96.02155	1.0
123.00880	1.6
124.01642	2.4
152.01126	1.9
163.03879	0.9
187.03925	2.7
199.07568	1.2
201.05493	1.1
203.03659	1.0
210.83057	0.9
215.03487	3.5
219.17506	11.5
265.14420	2.9
265.18008	3.9
291.15942	4.0
291.19348	1.2
293.17566	41.0
294.17706	1.0
317.21176	2.7
356.19980	5.1
357.20554	2.5
396.22974	1.5
400.18649	1.4
441.97946	1.1
481.40607	2.2
493.40143	3.3
509.39966	4.2
512.89551	1.2
537.39789	6.6
553.38794	4.2
581.37878	1.2
609.37903	100.0
610.38580	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	609.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40572	1.4
59.32896	2.1
61.71866	1.7
68.09493	1.6
78.01107	7.2
81.69167	1.5
96.02180	3.0
118.17702	1.7
122.26186	1.5
123.00896	5.7
124.01637	6.9
152.01125	6.4
153.63989	1.5
154.13254	1.5
166.02583	2.0
187.03981	4.6
187.07562	2.3
189.01913	2.1
191.14351	3.6
199.07697	4.6
201.05588	2.3
203.03455	2.5
215.03456	8.9
219.17526	44.8
225.05527	4.5
265.14447	5.9
265.18002	12.7
287.19913	1.8
289.21716	3.7
291.15952	11.4
291.19547	3.9
293.17621	92.0
293.21115	9.2
294.17978	3.6
315.19522	3.1
317.21280	8.0
341.20959	2.3
356.19904	20.1
357.20572	3.5
396.22910	3.4
481.40402	8.7
493.40698	9.8
504.35510	1.9
509.39746	6.3
519.38300	4.9
537.39337	13.1
553.38831	7.3
609.37891	100.0
610.38037	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	609.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22285	1.3
68.97525	1.3
78.01094	9.8
85.55487	1.2
96.02168	2.6
123.00839	4.5
124.01631	5.6
135.21758	1.3
152.01123	6.4
159.04436	1.3
160.05203	1.3
165.01929	1.3
166.02786	1.6
173.06107	1.8
175.03932	1.4
187.03929	4.2
187.07587	3.2
188.04744	1.5
189.01875	1.5
189.05424	1.3
190.02592	1.2
191.14351	3.0
199.07594	4.4
201.05521	2.5
202.06261	1.7
203.03438	2.9
215.03503	10.4
219.17517	42.6
225.05531	5.0
228.27766	1.5
237.18585	2.0
257.04379	1.4
265.14365	4.7
265.18015	14.5
289.21753	4.8
291.15958	13.7
291.19553	4.4
293.17606	98.1
293.21057	13.2
294.17737	3.0
313.21695	2.6
315.19437	2.8
317.21149	10.5
329.21338	1.4
341.21011	2.0
353.21005	1.6
356.19897	23.8
357.20529	4.5
369.20621	1.4
381.20343	1.3
396.22998	3.5
400.18704	2.6
428.18167	1.7
447.26636	1.4
481.40253	9.3
482.40134	1.4
493.40439	13.3
509.39719	5.4
522.37231	2.3
537.39362	12.0
553.38867	5.4
565.38629	2.1
609.37860	100.0
610.38037	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
64.99222	1.2
95.05004	4.6
95.75635	1.3
97.38655	1.4
98.21808	1.3
107.46277	1.2
113.71825	1.2
117.44626	1.4
121.10233	25.8
125.09660	1.6
171.10272	65.0
177.16548	1.3
185.11824	2.4
191.06892	1.3
197.94266	1.2
207.10060	3.3
231.21150	5.4
246.12550	1.9
275.20154	79.9
276.20697	2.7
278.11404	7.5
279.71143	1.4
293.21219	81.1
294.21732	1.7
297.18350	2.6
315.19394	46.6
359.18289	4.8
591.40082	1.9
600.82019	1.3
609.41290	100.0
610.41656	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	611.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
61.56672	0.2
61.98827	4.3
69.41931	0.8
71.01383	0.7
73.02962	0.3
75.00871	0.4
81.65517	0.2
83.01386	0.3
87.00877	0.4
88.98814	0.3
89.02441	0.6
98.21852	0.3
99.92578	9.5
100.92580	0.3
101.02414	0.3
106.98474	0.2
113.02435	0.3
116.92854	100.0
117.92855	2.1
119.03513	0.3
125.02458	0.4
152.01073	0.2
192.00667	0.4
193.01448	0.2
207.03125	0.2
285.06091	0.4
457.48813	0.2
493.09961	0.4
561.22491	0.2
567.26166	0.3
575.27045	0.2
611.26398	0.3
623.39410	0.2
636.31293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94537	15.4
69.94884	7.2
78.95892	7.5
79.14258	5.7
80.70100	5.7
81.53097	5.4
83.72148	5.7
98.21980	9.7
125.02454	10.2
137.02412	13.7
139.04015	6.7
152.99515	7.5
293.17581	100.0
294.18228	14.3
305.06659	9.2
305.17462	24.9
317.06622	10.9
327.85916	5.4
364.79260	5.6
464.90811	7.7
470.32272	6.7
611.24951	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	611.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97717	5.5
59.01376	39.8
60.99301	10.7
69.40565	16.3
71.01385	17.8
72.99313	5.3
73.02966	6.3
75.00864	6.6
85.02923	8.5
86.74788	4.6
88.98806	44.4
89.02467	25.5
96.96017	9.9
101.02438	6.2
113.02435	6.9
116.92849	29.3
123.00896	4.6
138.03203	7.5
149.02448	4.8
153.01987	6.7
153.05603	8.7
165.01866	6.7
168.48997	3.8
172.80568	4.8
181.05064	5.8
192.00668	4.3
195.06531	7.8
208.03560	5.6
223.06161	8.3
291.43094	4.5
292.73373	3.9
361.18781	5.2
362.16895	6.0
363.17081	6.8
371.11481	6.9
373.12863	12.1
404.14685	9.1
419.16891	12.5
551.21405	100.0
552.21686	5.2
599.30414	4.8
611.25623	35.9
626.35309	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
60.99318	1.7
61.98841	6.0
63.51821	1.1
69.09642	8.4
71.01393	10.0
73.02943	1.8
77.73167	1.1
80.91681	2.5
83.01386	2.4
85.02937	3.8
87.00875	2.2
88.98819	8.2
89.02451	9.1
93.03451	5.2
96.96005	1.4
101.02435	9.5
112.98561	1.5
113.02454	5.0
116.92854	2.4
119.03519	3.8
121.02913	5.7
125.02432	10.6
137.02449	8.2
153.01891	1.2
161.04558	1.7
179.05656	2.7
221.06708	2.0
227.07124	4.3
251.16573	11.7
273.36545	1.4
323.09726	5.2
330.93515	1.3
360.40619	1.4
393.47778	1.2
413.21786	100.0
414.21936	6.0
421.10715	1.2
443.12006	2.8
449.17261	1.4
575.26941	3.9
611.24677	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	611.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.2
68.79021	0.8
69.22530	1.7
69.22929	4.2
71.01385	2.2
78.95894	6.2
79.95750	2.4
96.96010	100.0
96.96920	10.7
103.01496	8.0
105.81612	0.9
183.19812	0.9
253.09315	1.3
277.21802	5.0
283.58807	1.0
291.04056	2.2
333.05017	2.2
351.06140	6.8
551.25439	1.1
611.22601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25253	0.4
59.01364	0.8
59.07417	0.5
71.44895	0.5
78.74420	0.5
78.95905	3.5
79.95734	3.7
96.70937	0.5
96.96008	100.0
96.96906	8.0
133.36519	0.6
189.00775	0.8
253.09233	0.9
266.96539	0.5
277.21753	4.3
278.21909	0.6
291.04065	0.8
351.06076	2.4
363.11453	0.5
551.25409	0.7
579.33313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61576	0.4
53.17023	0.4
57.03441	7.6
59.01377	40.3
61.98814	1.3
64.11897	0.4
69.03440	0.6
69.36202	2.0
71.01390	2.9
73.02950	4.8
81.03371	0.5
83.01380	2.4
83.05006	0.6
85.02962	1.5
85.06615	0.5
87.00901	0.8
87.04526	1.0
88.45097	0.5
95.01411	0.4
95.05018	0.6
96.95979	1.1
97.02966	0.5
99.04482	0.6
101.02421	2.5
109.06607	0.6
110.54824	0.5
113.02456	1.2
113.06100	3.7
120.05788	0.5
121.06603	0.5
123.08098	0.8
125.02424	1.4
125.06123	0.5
135.04562	0.5
135.08171	2.7
137.06036	0.8
137.09729	4.5
139.07669	0.7
139.11285	16.6
149.06091	0.6
151.11241	1.1
153.09200	5.9
161.09650	0.7
163.11241	3.0
165.09212	6.5
169.01416	1.0
169.12331	1.2
175.07596	0.8
179.10782	1.3
181.12347	6.0
183.10255	23.3
184.10551	0.5
187.11278	4.0
190.09991	0.6
193.12370	1.3
195.13956	1.1
197.11754	1.3
199.13383	1.9
205.12315	6.5
208.10988	1.4
223.13394	10.2
223.16814	0.5
224.13826	0.6
225.11322	6.9
239.12935	0.7
243.12355	8.5
249.11362	0.7
267.12494	0.7
285.13403	2.8
291.12463	0.9
306.07285	0.5
345.15475	2.4
387.17065	0.6
405.17691	0.8
437.43762	0.5
475.29013	0.7
593.29669	2.6
611.30688	100.0
612.31140	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	611.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96024	6.2
54.15887	5.5
54.46143	6.7
56.19417	6.2
61.97644	6.2
66.07598	6.5
69.71162	24.6
76.16605	6.2
97.79850	6.0
104.46862	5.6
107.48310	5.6
120.90304	6.8
122.38341	5.7
123.90150	6.3
125.02457	11.4
131.48721	6.2
169.16931	7.0
227.03207	7.5
237.22169	13.7
265.21783	30.6
282.91837	6.5
289.21652	17.2
293.21255	17.8
341.24866	7.3
357.24414	10.4
385.23929	18.9
403.24933	19.0
471.71954	6.2
498.50760	6.8
611.43213	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	613.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11568	1.0
59.01376	1.1
59.07514	0.8
64.29764	0.9
69.36916	5.0
71.01380	17.9
72.99301	3.9
88.98782	1.1
89.02426	3.1
90.17539	1.0
96.95998	1.4
101.02390	1.2
102.20364	0.9
115.00368	46.1
118.98165	0.9
121.02965	1.3
123.00835	1.4
124.01642	2.3
125.02428	8.2
132.86803	4.8
133.01428	100.0
137.02394	1.3
149.02444	2.8
161.02396	1.6
164.01120	2.0
165.01918	2.8
167.03569	1.5
167.83423	1.1
168.00613	3.2
169.01376	7.1
190.02676	2.4
192.00618	23.6
193.01408	31.4
194.02087	2.4
195.06493	1.4
207.02995	7.7
207.73161	1.1
208.03542	1.8
211.02473	5.7
223.06117	2.9
234.01674	2.2
235.02492	3.4
249.04019	1.7
261.96228	1.0
312.04773	1.7
313.05762	2.0
327.06860	1.2
428.59720	1.1
472.05853	1.0
479.08295	63.2
480.08615	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	613.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16338	1.4
107.04900	1.3
108.02167	59.6
109.02954	16.2
125.02441	9.0
137.02434	4.8
151.04019	1.7
152.01154	48.4
153.01939	23.6
165.01965	3.1
167.03551	2.9
197.09714	1.8
268.82425	1.9
285.06155	100.0
305.06616	7.7
306.06833	3.2
307.07108	3.6
316.39084	1.4
317.64545	1.7
327.04846	3.4
530.34387	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	613.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59438	2.0
59.01108	3.4
59.01380	37.5
69.07131	15.9
71.01382	33.6
72.99321	3.8
73.55907	2.1
75.00869	7.4
75.37415	2.1
75.95782	2.3
83.01359	2.9
85.02948	6.8
87.00855	3.9
89.02435	30.2
95.01389	4.0
98.22619	4.5
99.00863	6.3
101.02470	11.9
108.02168	5.8
111.00854	3.0
113.02457	14.8
117.78474	2.2
119.03489	11.8
121.02951	2.5
122.03745	3.2
123.04530	8.0
125.02447	6.2
137.02406	3.1
143.03397	2.6
149.02446	4.9
150.03185	14.3
151.03958	3.6
152.01091	8.5
153.01942	4.6
161.02400	3.9
161.04558	5.3
162.03142	4.2
164.01125	5.6
165.01839	4.4
165.05557	11.0
166.02678	5.7
167.03473	11.9
177.01894	6.4
179.05579	26.6
181.05000	3.9
190.02687	7.4
192.00627	83.4
193.01404	25.2
194.02141	14.2
205.01340	3.2
206.02193	5.6
207.02946	38.2
221.00792	2.6
222.01653	6.6
234.01688	27.6
237.03955	2.7
249.04047	11.5
249.06268	15.4
285.06467	5.0
285.09741	17.9
293.12503	3.7
305.90747	2.8
312.04813	23.0
327.07205	100.0
416.09598	3.6
417.10172	5.8
567.26617	6.2
613.17688	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.4
59.01377	20.2
59.87024	1.5
61.98832	14.8
67.01883	1.8
68.99816	2.7
69.03451	2.6
69.79718	1.6
71.01380	19.2
71.13449	1.4
72.99294	4.1
73.02935	2.3
75.00867	16.1
81.03462	1.9
83.01421	2.1
85.02942	17.5
87.00844	7.6
89.02474	3.7
91.01887	2.7
93.03434	2.1
95.01377	5.7
99.00880	10.7
101.02424	1.7
103.00358	1.7
107.01394	2.8
108.02170	8.2
109.02935	6.4
111.00874	13.5
113.02460	17.1
115.00353	2.1
121.02953	6.7
122.03755	4.8
123.00900	2.5
123.04512	17.6
125.02460	4.3
129.01927	2.1
149.02435	9.7
150.03218	30.7
151.00307	3.8
151.04037	11.0
152.01158	11.1
153.01952	6.5
164.04773	2.4
165.01942	3.7
165.04283	2.2
165.05568	25.7
166.02628	2.2
167.03484	39.8
175.02487	3.6
175.03926	1.7
180.04259	3.9
181.05017	8.0
194.02818	1.6
195.06636	6.6
226.04808	3.0
231.05031	2.4
241.07037	3.1
249.06134	42.9
256.07446	2.6
260.03738	1.7
270.81985	1.7
315.08524	4.9
355.10480	2.1
399.09201	4.3
416.09570	7.1
417.10355	13.6
431.11832	2.0
486.34109	1.7
492.47427	1.7
565.15656	3.6
595.16589	6.9
613.17688	100.0
614.17755	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	613.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19925	1.0
61.98825	2.9
63.73806	1.1
69.44088	2.7
69.44480	2.6
72.05880	1.0
79.62209	1.1
82.81365	1.1
93.03463	3.9
98.22585	1.9
109.02921	3.3
113.25994	1.1
121.02960	6.3
122.03739	12.6
123.00900	1.6
123.04515	1.8
124.01604	1.3
125.02449	1.7
133.06612	1.2
135.04568	1.3
136.01669	3.2
137.02440	15.2
139.04063	1.2
149.02441	20.8
150.03223	83.0
151.00377	5.0
151.03973	5.5
152.01251	1.4
152.04778	3.3
152.34772	1.1
161.02432	1.6
164.04747	5.7
165.01920	20.6
165.05565	100.0
166.02699	17.2
166.05843	1.3
167.03525	3.6
175.04073	2.5
176.84082	1.5
177.05556	1.8
179.03523	7.0
180.04272	18.4
181.05081	22.4
187.04002	2.3
190.02841	1.3
190.06346	2.2
192.00632	9.5
193.05066	1.9
195.06631	66.1
196.06995	1.9
205.05045	6.7
207.02991	7.1
210.05447	2.3
218.45555	1.3
220.07402	4.5
225.07674	12.8
234.01692	2.3
234.75400	1.2
235.09665	1.7
238.08852	1.1
249.04033	1.5
249.15019	1.5
250.15697	1.3
265.14392	1.7
315.08875	1.2
329.10300	2.3
371.11301	1.7
372.11969	1.4
386.13699	2.4
387.10272	2.4
387.14804	12.1
402.13205	1.4
403.13953	2.5
417.15506	26.7
535.19287	5.0
550.18829	1.3
565.20770	49.7
566.21356	4.0
577.23096	6.4
613.23267	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	613.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
61.98831	3.0
80.91671	2.6
82.95415	2.0
86.26933	1.7
86.91770	1.3
93.03467	5.0
109.02950	1.9
113.02428	1.8
114.93464	1.3
119.22134	1.2
121.02959	4.4
122.03730	13.9
125.02431	2.3
136.01665	1.6
137.02417	9.3
138.16347	1.2
149.02441	15.5
149.47350	1.1
150.03224	85.5
151.00377	4.3
151.03867	2.0
151.22911	1.5
154.15703	1.4
164.04778	2.6
165.01913	24.0
165.05557	100.0
166.02716	8.5
171.34108	1.5
177.01884	1.6
178.92482	1.2
179.03520	4.1
180.04283	19.9
181.05028	13.3
192.00664	4.5
193.01450	1.9
195.06621	87.5
196.06793	1.5
207.02992	3.1
210.05365	2.8
221.62332	2.3
225.07677	16.7
283.10818	3.1
310.16022	2.2
335.70544	1.5
357.13620	2.1
387.14737	13.5
417.15497	17.7
459.28040	1.4
512.63849	1.3
525.25769	1.7
565.20581	3.5
606.01331	1.5
613.32312	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	613.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	24.9
61.98825	22.4
63.28542	10.3
67.20913	13.7
69.33448	24.8
69.33836	25.4
71.01371	19.3
72.94853	11.1
82.95451	24.4
89.02477	14.3
105.88719	10.1
115.38115	11.1
126.97491	12.0
133.43594	13.6
171.10266	89.1
197.11794	100.0
199.09732	28.6
207.10193	36.3
209.11874	28.6
223.13457	59.8
225.11325	35.2
253.09239	43.3
384.91034	13.4
392.58212	11.4
461.19760	15.2
548.03973	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	613.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72340	1.6
57.03429	2.2
61.98802	4.5
70.38429	1.4
76.22680	1.6
151.58002	1.6
171.10260	45.1
177.85313	1.8
249.22264	3.1
277.21719	60.7
295.22769	100.0
296.23071	3.5
317.20972	41.8
361.19858	4.7
362.38004	2.1
494.28110	1.7
613.44397	96.4
614.44751	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	614.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64555	0.1
58.41053	0.1
59.01383	0.2
61.98827	100.0
66.88812	0.1
69.43608	0.1
78.91873	0.2
95.88602	0.1
144.69214	0.1
145.53401	0.1
157.35330	0.1
200.34128	0.1
385.94824	0.1
426.25754	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	614.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	61.7
69.82890	1.1
70.69765	0.4
83.88668	0.3
86.02592	0.3
127.66895	0.3
130.38683	0.4
132.98184	2.0
140.65622	0.3
174.99246	29.7
201.02565	3.2
217.00285	100.0
218.00613	1.1
273.12598	0.3
290.97348	0.4
332.97787	0.4
359.01489	8.1
374.99191	70.1
375.99500	1.1
427.61365	0.3
517.00287	2.6
532.98181	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	615.0989
Annotation	Myricetin 3-(3''-galloylrhamnoside)
Peak:m/z	Relative Intensity
56.39532	0.6
58.72708	0.8
59.01373	3.6
61.98817	0.8
65.03997	0.9
67.01875	1.2
69.45453	2.3
69.45854	1.6
71.01387	1.7
87.00887	1.1
91.05555	0.7
93.03471	1.0
95.01401	1.7
96.96013	9.8
99.00816	0.7
105.03410	1.1
105.42893	0.7
107.01386	3.7
107.05048	1.4
108.02234	0.8
109.02951	10.4
111.00865	1.4
113.02399	1.0
116.92862	1.2
117.03439	1.6
119.05064	1.4
121.02927	2.3
123.00893	4.3
123.04541	1.5
124.01667	9.6
125.02438	16.1
131.05055	0.9
133.02936	3.2
134.03745	1.7
135.04524	2.3
137.02426	3.7
138.03198	1.1
139.00369	2.3
139.03999	2.6
140.01164	1.5
145.02956	5.6
149.02461	5.4
150.03200	2.0
151.00368	2.1
151.04007	2.1
152.01161	0.9
153.01945	6.4
159.04514	1.3
160.33829	0.7
161.02437	8.9
162.03232	4.9
163.03937	4.0
164.01158	2.7
165.01924	7.3
165.05545	2.2
167.03508	1.0
168.00642	8.2
169.01427	12.1
173.02458	2.5
174.03139	1.0
175.03902	1.2
177.01926	5.3
178.02667	1.1
178.99884	0.9
179.03429	1.4
183.02953	5.3
187.04047	1.3
189.01945	2.9
190.02704	6.7
190.99997	0.8
191.03500	6.0
192.00642	25.4
193.01418	29.4
193.05028	2.3
194.02115	1.0
195.06596	2.6
203.03497	1.4
205.01392	7.1
206.02171	7.2
207.02979	23.0
211.02455	10.4
217.01308	1.0
219.02925	1.0
220.03729	1.0
221.04520	1.1
222.01775	1.0
223.06006	0.8
225.03979	1.0
225.07715	1.4
232.03850	1.4
233.00897	1.3
233.04518	0.9
233.99336	1.2
234.01686	19.0
235.02489	14.1
235.06137	0.9
245.00708	0.8
246.01668	1.6
247.02475	1.2
249.04024	6.4
270.05334	1.3
276.02692	1.2
277.03519	2.4
294.03882	3.4
295.04559	2.3
309.06042	3.9
312.05087	1.0
313.05511	1.2
317.03085	1.2
348.38217	0.7
384.85913	0.7
449.07297	4.0
461.07056	5.7
463.08768	1.6
479.08325	29.3
555.13800	1.5
571.27704	0.8
600.07898	0.9
615.09906	100.0
616.10272	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	615.0988
Annotation	Myricetin 3-(4''-galloylrhamnoside)
Peak:m/z	Relative Intensity
53.04665	0.4
59.01378	1.6
61.00282	0.4
61.98836	1.5
63.02399	1.8
65.00319	3.1
68.89441	0.3
69.03443	0.4
69.34240	0.9
69.34624	0.5
71.01379	1.0
73.02968	0.4
75.04563	0.4
79.40728	0.4
81.03450	0.5
83.01380	2.9
89.42417	0.3
93.03459	0.6
94.54156	0.3
95.01382	0.8
96.96022	0.7
98.21843	0.8
99.04532	0.4
106.88457	0.4
107.01389	7.6
108.02220	0.9
109.02955	8.6
111.00896	0.5
123.00884	3.4
124.01669	2.2
125.02450	6.5
130.29242	0.3
134.03769	1.4
136.98956	0.4
137.02440	16.8
140.01131	0.5
141.01996	0.7
147.00906	0.4
149.02444	0.4
150.03224	1.1
151.00368	31.0
153.01949	2.6
155.03522	0.6
159.04535	0.4
161.02460	0.4
162.03244	0.5
163.00352	2.8
164.01205	0.6
165.01929	2.0
165.05548	0.7
166.02678	0.4
166.99878	1.8
168.00529	0.6
169.01427	6.2
171.04439	0.5
175.03911	0.4
177.01935	0.8
178.02698	1.0
178.99860	23.6
180.00206	0.4
181.05186	0.4
183.04579	0.5
187.04164	0.6
189.02074	0.5
190.02742	1.3
191.03499	0.5
192.00639	2.6
193.01404	1.9
193.05005	2.1
195.06676	0.7
199.04013	1.2
203.03574	0.6
207.02982	0.7
215.03461	0.5
227.03531	1.8
229.05138	0.5
233.04544	0.5
234.01730	1.7
242.02199	0.4
243.02965	1.4
245.04533	0.9
246.01732	0.7
249.03984	1.2
259.02402	0.6
261.04065	1.6
268.28128	0.3
271.02463	3.4
278.04346	0.6
287.01987	1.5
289.03482	0.7
299.01959	1.2
316.02130	3.4
317.03003	100.0
318.03369	2.6
319.96292	0.4
344.32925	0.4
401.05368	0.4
401.63882	0.4
463.08810	2.9
479.08472	0.7
567.21692	0.4
576.54370	0.4
615.09875	33.4
616.10242	1.4
639.87366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0987
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
53.00257	0.3
57.03437	0.4
59.01373	1.7
61.98838	0.4
67.01891	0.5
69.03445	0.9
69.40840	1.4
71.01390	0.6
79.01898	0.5
79.56887	0.3
81.03452	1.3
83.01378	0.5
83.05020	0.4
85.02946	0.4
87.00846	0.5
93.03461	0.5
95.01421	0.8
96.96018	0.4
97.02968	1.0
105.03439	0.7
107.01395	2.3
107.05020	0.5
108.02190	2.5
109.02950	22.2
111.00882	1.1
117.03468	0.8
119.05051	0.8
121.02944	1.3
123.00890	3.0
123.04510	1.3
124.01658	6.3
125.02448	28.0
132.02185	0.4
133.02936	1.3
134.03737	0.5
135.04526	1.3
136.01630	0.4
136.98836	0.4
137.02451	2.5
138.03221	0.5
139.00323	0.9
139.04030	1.3
140.01143	0.9
145.02957	2.3
146.03690	0.5
148.01707	0.7
149.02458	2.0
151.00340	0.8
151.04013	1.6
152.01152	3.0
153.01941	15.3
159.04494	0.4
160.01634	0.4
161.02431	4.9
162.03212	4.2
162.86880	0.3
163.04031	2.1
164.01169	2.1
165.01942	4.2
166.02672	0.6
166.99863	0.8
167.03522	1.6
168.00661	4.2
169.01421	22.0
173.02454	1.4
174.03119	0.5
175.04047	0.4
176.01241	0.4
177.01917	2.4
177.05571	0.6
178.02682	0.7
178.99907	0.6
179.03539	1.0
181.01384	0.5
183.02972	1.3
187.04012	0.6
189.01950	2.4
190.02699	8.0
191.03520	3.0
192.00642	12.2
193.01410	14.4
194.02200	0.8
195.02965	5.9
202.02692	0.5
203.03584	0.7
205.01396	5.3
205.05064	1.1
206.02200	6.6
207.02985	19.5
210.01550	0.5
210.45921	0.3
211.02477	6.1
215.03384	0.5
217.01460	0.6
219.02948	1.2
220.03792	0.7
221.00916	1.0
221.04480	0.9
222.01582	0.9
231.02979	0.5
232.03748	0.5
233.00888	1.3
233.04559	0.6
234.01688	16.6
235.02464	15.4
235.06039	0.5
237.04202	0.4
241.19353	0.3
245.00679	0.4
246.01846	1.5
247.02458	1.3
248.03279	0.3
249.04036	6.3
258.01718	0.6
259.02509	0.9
264.02750	0.4
273.04089	0.3
276.02765	0.9
277.03613	1.9
279.05182	0.8
291.05099	0.4
294.03857	1.2
295.04480	1.1
309.06076	1.3
312.05020	0.4
327.07327	0.3
445.07715	1.4
446.04578	0.4
449.07147	1.0
456.14240	0.3
461.07120	2.2
463.08725	2.0
469.16632	0.3
479.08289	1.4
539.79108	0.3
600.07532	0.7
615.09888	100.0
616.10089	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	615.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.3
57.23873	0.7
59.01365	3.4
61.98826	11.1
63.02388	1.7
65.00317	3.8
69.03452	0.8
70.98458	1.1
71.01377	1.3
81.03452	2.4
82.95412	3.0
83.01387	8.9
86.36578	0.8
92.42242	0.8
93.03476	4.4
96.96051	1.7
97.02943	1.3
107.01401	4.3
107.05035	2.0
109.02971	2.2
117.03441	1.3
121.02911	0.9
123.04518	2.0
124.01650	1.5
125.02444	83.3
125.29076	0.8
126.02830	1.5
133.02966	1.5
137.02444	3.6
141.88640	0.8
146.87204	0.8
149.02440	5.8
150.03236	1.7
151.00363	24.2
152.01167	6.7
153.01947	13.1
157.06519	1.0
159.04361	1.0
161.02414	1.2
163.00377	1.8
165.01910	1.7
165.05553	1.8
167.03485	1.9
169.06534	1.4
172.05310	2.2
173.06056	5.1
175.03943	1.2
176.01173	1.6
177.05550	2.0
177.10228	0.8
178.99832	11.9
179.03506	2.9
181.01408	0.8
189.04269	2.0
195.06546	1.9
197.06078	2.3
199.07646	1.6
201.05571	4.6
207.03024	1.0
213.05554	0.9
215.07114	6.2
219.06537	0.9
224.04720	0.9
225.05537	3.0
241.05003	2.7
242.10631	1.1
243.06606	5.0
243.92456	0.7
255.06709	0.8
257.12943	6.2
259.06100	75.1
260.06485	2.4
268.07825	0.7
269.04538	64.7
270.04959	1.7
283.06287	1.4
287.05585	46.2
288.05887	1.7
301.11838	6.3
311.05548	1.2
313.11951	2.9
333.06210	1.8
426.39340	0.7
508.15219	1.0
597.19775	1.8
615.20807	100.0
616.21198	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	615.2443
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
50.39811	0.5
57.03428	2.2
61.30328	0.5
70.67625	0.9
81.03454	2.5
83.01395	1.8
83.04993	0.5
87.00897	0.6
93.03413	0.8
95.05012	1.0
95.77136	0.5
97.02938	1.0
99.04489	0.5
107.04986	0.7
108.02181	0.5
109.02945	5.5
111.00837	2.4
121.02995	1.2
121.84985	0.5
122.03754	0.8
123.00861	1.6
123.04491	0.8
124.01642	2.1
125.02441	14.1
133.02917	0.8
133.36931	0.6
135.04497	1.4
137.02443	10.6
139.00349	0.6
139.03943	0.8
147.04561	0.7
149.02428	1.7
150.03220	0.7
151.00369	0.6
151.04013	1.4
152.01144	1.8
153.01894	1.0
159.04507	0.9
161.02400	1.3
163.03951	1.2
165.01938	3.7
166.02692	1.2
167.03496	6.0
172.05309	0.6
174.03217	0.8
175.03925	1.1
181.05035	0.7
187.03996	1.1
188.04716	1.4
189.05493	1.1
191.03407	0.7
195.17479	0.9
200.04788	0.7
201.05510	0.9
203.03462	0.9
204.04286	0.9
216.04228	1.5
219.17461	0.7
229.05049	1.2
241.04770	0.8
249.18550	1.4
257.04541	1.6
265.18033	6.4
275.05515	1.5
277.18042	1.6
291.16351	0.6
291.19702	0.9
293.17560	21.4
294.18326	3.4
295.19080	2.3
313.21701	1.0
315.19644	1.2
315.23126	0.9
317.21027	0.8
319.04544	1.2
319.19189	0.6
321.17160	3.0
322.17990	0.7
329.21225	1.8
331.22668	2.1
341.21146	1.5
343.22665	0.9
344.19669	0.6
345.20538	0.6
357.20667	5.1
359.22153	0.7
369.20566	1.0
371.22330	0.8
372.19321	2.0
381.20544	2.3
385.20279	6.3
387.21994	1.2
390.89346	0.5
397.20233	0.9
409.20175	1.3
415.20728	0.9
421.23477	0.7
433.22067	0.6
482.83347	0.5
535.23401	0.9
553.24396	1.2
571.25507	11.7
615.24414	100.0
616.24908	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	615.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37159	0.6
57.02298	0.6
57.76710	0.7
59.01376	12.0
61.98822	2.3
69.03423	0.8
71.01366	2.1
71.45054	0.8
82.95416	1.0
94.06615	1.1
96.95993	1.6
99.63567	0.8
101.02451	1.4
106.06607	1.1
109.06611	0.9
110.06091	1.0
111.00871	0.9
113.02458	1.5
116.92855	0.7
120.08192	2.2
121.05352	2.2
122.06117	15.8
125.02439	2.1
134.06119	2.8
139.00349	1.6
142.16711	0.8
160.06407	6.3
161.49556	0.9
169.01405	0.9
171.10271	8.4
192.00600	1.4
197.07095	1.2
207.10321	2.6
211.08762	1.0
213.10329	31.6
214.10612	0.9
225.11513	4.1
226.11102	3.3
235.08315	1.0
239.11829	7.4
241.13441	22.1
251.11874	1.5
253.09282	1.2
257.12842	0.7
265.13461	1.3
267.11453	1.7
267.15033	5.4
285.12433	100.0
286.12811	2.4
311.13864	0.9
329.15421	1.6
341.22324	0.9
342.12436	1.2
344.14081	0.8
352.60434	0.9
356.14169	1.1
358.15381	3.2
372.17239	2.1
386.18707	2.5
387.19357	1.5
473.20218	1.5
499.23480	1.2
527.26709	4.3
541.24420	3.1
553.24524	13.2
571.25647	62.6
572.25928	2.6
615.31451	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	615.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38097	5.7
57.03452	14.1
58.91821	5.4
59.01374	86.6
61.98827	16.8
66.20512	5.2
69.37867	23.0
71.01376	84.7
73.02946	24.1
80.91694	8.6
82.95423	14.9
83.01375	12.6
85.02950	36.8
89.02438	27.2
92.11102	5.2
95.01376	6.9
96.41033	5.4
96.96004	17.4
99.00910	9.4
101.02446	52.8
113.02468	34.6
116.92863	9.6
119.03494	6.2
121.03019	8.7
125.02454	45.1
128.90179	26.1
129.01924	11.4
134.03755	17.6
137.02481	10.0
138.03123	5.2
144.50461	5.6
149.02505	6.7
150.03238	11.9
161.02464	7.1
161.04561	26.0
165.05565	9.2
167.03519	13.8
169.01404	14.2
177.01984	11.2
178.02711	11.0
179.05594	15.0
189.90898	5.4
192.00630	18.9
193.05035	28.1
195.06612	7.7
207.03059	10.3
209.11806	23.4
221.06729	15.5
263.07715	8.4
371.16800	6.0
393.19299	12.4
424.72253	6.7
533.22424	28.1
555.24792	100.0
556.25293	11.1
577.15558	10.9
615.27502	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	615.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
58.55680	1.5
59.01376	100.0
61.98823	7.4
69.15589	10.1
71.01386	20.0
72.99289	1.8
73.02941	7.2
82.95403	14.6
83.01377	3.7
84.95111	14.8
85.00431	7.4
85.02950	12.4
87.00867	15.7
89.02455	8.4
95.01384	3.0
96.95998	5.4
97.02913	2.7
98.22683	3.4
99.00861	3.8
101.02431	12.5
103.01509	1.7
111.61806	1.5
113.02452	13.1
119.03547	1.9
123.04502	4.5
125.02441	7.0
125.06072	2.4
128.54654	1.8
131.38751	1.8
137.02437	2.0
141.05518	3.2
150.48224	1.5
153.05537	2.5
161.02426	2.2
161.04530	5.3
169.01457	2.6
169.05020	2.2
179.63712	1.9
233.06575	2.6
235.13344	3.1
235.16971	3.9
249.15019	3.6
251.12814	15.0
252.13377	2.8
258.47806	1.5
384.65051	1.7
397.22214	4.2
417.67130	1.9
493.24429	2.3
511.25443	64.6
529.26471	19.0
555.24561	5.4
571.27710	10.8
577.25140	5.9
579.26288	7.6
615.27649	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	615.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	37.2
62.62369	23.6
64.97977	23.7
71.01375	55.7
73.07641	26.0
74.61379	22.4
76.63168	24.5
91.41750	25.9
92.17522	27.4
92.92278	24.0
112.53408	24.7
116.92903	51.2
125.02470	29.5
147.25618	24.9
148.15189	26.2
171.10292	100.0
185.11789	82.6
189.25809	25.2
191.99173	27.2
199.09718	55.6
207.10254	84.0
209.11748	74.6
211.13377	81.4
217.00348	36.5
225.11238	86.4
253.09256	58.8
414.23499	27.0
435.18930	33.2
461.20041	50.5
511.24792	33.4
553.07288	32.8
615.29486	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94337	1.3
50.97543	1.1
65.48717	1.2
66.73877	1.1
69.09592	2.4
69.09997	7.0
73.63147	1.2
90.07127	1.4
95.01390	2.2
95.89662	1.1
123.00903	1.5
153.00418	3.6
236.97760	2.5
265.14398	4.7
268.96527	7.0
271.01004	2.7
299.00476	3.5
305.12372	7.1
313.01968	3.6
320.11014	2.4
322.11237	2.3
334.69638	1.2
350.10950	100.0
351.11133	5.5
525.27155	18.7
553.26611	66.7
554.26703	5.3
556.26526	3.3
571.64264	1.6
616.26227	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	617.0051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47465	1.2
59.01379	100.0
69.68032	4.1
87.25011	1.1
98.21967	2.3
115.02501	6.4
116.40424	1.0
117.00436	5.3
132.98195	5.1
159.01489	60.9
160.01572	1.7
174.99246	40.9
201.02579	11.7
201.04277	1.7
217.00290	91.5
218.00529	1.7
232.98146	2.1
248.96182	1.3
249.62616	1.2
259.01706	2.2
274.17328	1.2
274.99393	6.1
290.97147	3.9
300.99454	2.1
301.02682	29.3
307.34598	1.1
317.00388	66.9
318.00546	2.6
332.98157	20.0
348.96100	1.3
359.01587	7.0
360.97607	1.6
374.99210	38.4
375.03934	2.0
376.99301	2.8
390.97375	1.9
459.01865	5.7
474.99252	33.1
475.99255	1.8
555.00146	1.8
556.98328	39.5
557.98352	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	617.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.2
59.01384	0.7
60.95974	0.3
71.01382	0.4
81.03461	1.6
83.01379	3.2
85.02957	0.5
95.05029	2.1
96.96001	6.1
105.03458	4.3
108.02174	5.5
109.02952	1.1
116.92891	0.4
123.04521	3.3
125.02444	100.0
126.02766	1.1
133.02969	1.3
137.02454	3.0
139.04045	0.6
149.02444	1.0
149.98404	0.3
152.01166	4.4
153.01933	0.5
161.02444	45.0
162.02975	1.1
165.01910	1.0
167.03496	20.3
167.20894	0.3
169.01437	0.6
169.30972	0.3
173.06093	0.5
175.03963	0.6
177.01923	0.6
177.05568	3.9
179.03519	0.6
183.04453	0.5
184.63681	0.4
201.01866	0.4
201.05585	2.4
215.07199	0.4
219.06676	0.7
225.05614	0.7
227.03491	1.2
229.01404	1.0
234.09016	0.4
241.04916	0.6
243.06566	1.2
259.02866	0.8
261.04446	1.8
269.04568	5.5
287.05585	19.9
288.05923	0.6
305.06561	2.3
317.06464	0.6
329.08740	4.6
374.38602	0.4
455.09671	1.3
600.15393	0.4
617.25104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
59.01376	100.0
61.98820	2.0
69.03452	1.5
71.01376	34.3
71.43499	1.6
72.99287	1.7
73.02944	28.3
75.00871	2.5
77.60448	1.1
83.01395	10.1
85.02941	14.2
87.00863	5.6
89.02454	13.4
95.01400	3.6
96.96014	6.5
97.02934	3.6
99.00900	3.3
101.02441	36.0
109.02953	1.5
111.00889	2.0
113.02445	22.7
118.73377	1.2
119.03496	7.7
124.01705	1.4
125.02433	14.7
131.03477	6.7
137.02458	2.6
143.03490	5.6
146.54341	1.4
149.04530	5.0
155.03421	1.5
161.02440	3.3
161.04544	21.4
161.08194	4.8
165.05505	1.9
167.03508	1.6
169.01437	3.7
177.01918	3.4
179.05579	7.6
179.19269	1.4
187.90306	1.2
203.05589	12.8
221.06668	25.0
245.06676	1.4
263.07700	25.2
270.04877	1.4
305.08899	6.9
330.99530	1.4
353.16125	2.8
427.16077	5.7
445.17099	2.9
487.18121	23.8
529.19244	5.5
607.07117	1.5
617.28247	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30693	1.7
58.91974	2.1
59.01377	100.0
71.01376	25.4
71.43989	1.8
73.02945	56.2
73.80449	1.9
76.39861	1.7
77.00116	1.6
83.01376	13.3
85.02966	4.5
85.52247	1.8
87.65714	1.8
89.02451	16.7
95.01392	2.1
101.02440	49.0
105.83033	1.9
113.02435	15.4
115.87105	1.9
119.03468	8.0
123.42486	1.7
131.03452	4.8
143.03470	6.1
149.04564	5.1
161.04533	17.3
179.05592	2.3
210.01500	1.8
215.80899	1.8
221.06590	3.0
300.37479	1.6
324.06891	1.7
473.13187	1.7
534.80768	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	617.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60531	0.7
54.12601	0.8
55.12589	0.7
57.03441	1.3
59.01388	4.9
61.68202	0.7
61.98812	2.5
69.14460	2.6
69.14868	2.5
70.09245	0.8
71.01377	2.0
81.03448	0.9
82.95413	2.0
84.95128	1.1
85.02937	0.9
94.06611	2.7
95.05030	1.8
96.96049	1.5
101.02427	1.2
105.03432	1.4
105.05830	3.3
107.03767	3.0
109.02979	0.9
109.05391	1.3
110.06117	7.0
113.02430	1.5
118.06609	1.8
120.08189	66.6
121.05343	6.3
122.06122	53.5
125.02449	9.4
134.06100	1.8
136.07652	2.9
137.02499	1.1
137.04802	1.2
139.06367	1.1
143.85236	0.8
146.06088	7.9
146.09758	2.3
149.02449	1.0
152.07162	1.7
153.01988	0.9
159.06879	1.6
160.07637	1.2
161.02428	10.1
162.02786	0.9
164.07178	5.6
165.01913	1.9
167.34439	0.7
169.20815	0.7
170.93654	0.8
176.70277	0.8
177.01852	1.4
180.04135	0.8
181.04666	0.7
195.06564	1.6
215.11900	1.1
223.12411	1.0
225.10182	0.9
225.14011	1.6
226.11108	0.9
227.11916	1.4
237.10298	9.1
238.11021	3.3
239.08162	1.1
239.11879	2.0
241.13327	1.7
243.15009	2.7
249.10286	1.2
250.11093	1.9
251.11896	17.2
251.16260	1.2
252.12630	5.8
253.13443	3.2
255.11363	4.0
265.13452	17.2
266.11072	1.0
266.14215	13.2
267.11374	4.1
267.14990	19.4
268.12024	1.4
269.04501	3.0
269.12943	1.9
269.16571	1.0
271.06009	2.3
280.12262	1.0
281.12961	3.5
285.12415	2.4
286.13232	1.1
287.05585	2.8
287.14020	9.7
297.12369	0.8
298.13266	4.9
300.11099	2.6
310.13321	1.4
311.13965	1.6
318.12143	0.8
348.17160	1.5
358.15622	1.3
360.17242	2.7
373.17749	1.0
374.18784	0.8
376.20309	7.4
388.20282	16.3
389.20740	1.2
392.19589	0.9
406.21432	4.0
408.19360	1.6
413.21658	2.5
420.19125	3.2
432.19241	11.9
433.08939	1.1
433.19775	1.6
436.18561	1.1
438.20322	1.0
449.10858	1.1
450.20316	69.0
451.20920	9.7
543.26233	5.2
555.26099	21.1
556.26593	1.5
569.23163	1.3
573.27142	100.0
574.27484	6.0
599.25067	2.3
617.27600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35040	0.4
59.01378	100.0
60.01702	0.6
70.47020	0.4
70.51335	0.7
75.00871	1.1
78.95915	0.5
90.72380	0.4
96.96065	0.4
103.00375	3.2
103.01494	69.7
199.07581	0.4
212.62604	0.5
234.48590	0.4
303.21732	0.5
347.93079	0.4
367.32632	0.5
474.90018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60830	0.8
59.01376	100.0
67.08113	0.7
78.95887	1.5
79.23811	0.8
82.00399	0.7
100.78701	0.8
103.00365	4.6
103.01492	68.3
135.80946	0.8
165.97075	0.8
648.61975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
61.98846	1.1
96.02182	1.8
96.99297	1.3
99.00871	3.8
110.00088	0.9
111.00872	8.0
123.00875	3.9
124.01692	6.9
124.98808	7.0
125.02415	4.0
125.99598	2.1
127.00370	2.2
137.02477	2.3
137.99548	2.6
138.03229	1.1
139.00381	25.4
140.01126	3.8
149.02464	1.2
150.03223	2.0
151.00363	3.6
152.01170	5.9
153.01912	5.4
154.02705	2.2
154.99809	2.5
161.02448	2.0
163.03992	1.4
164.01189	1.1
165.01860	3.2
166.02682	2.7
166.99854	6.1
167.03474	2.9
168.00609	0.9
178.02689	2.6
179.03497	3.6
179.07072	1.1
181.01390	4.3
191.03537	1.9
193.05037	2.4
195.02997	2.0
203.06985	1.0
205.04970	1.4
217.04942	1.6
218.05830	1.7
220.37105	1.0
224.78404	1.0
237.07712	0.9
261.11255	1.2
265.18079	3.6
275.12906	1.3
293.17581	55.0
303.15900	1.3
381.20038	1.1
415.21317	1.2
421.20630	1.0
427.21201	2.0
437.19504	1.2
469.22015	1.2
471.20111	1.2
481.22601	1.3
492.21307	1.1
495.23697	1.7
497.21683	6.4
499.19385	1.8
505.22223	1.0
513.24939	1.8
521.24841	1.0
523.23260	3.5
524.23468	1.1
525.20935	4.2
527.26276	3.5
529.24200	7.9
538.25592	2.1
539.26892	2.5
540.23535	2.1
553.28113	10.6
555.25879	10.0
556.26532	1.8
557.23785	7.2
559.29175	3.6
570.28448	12.2
571.29053	3.2
572.26385	3.2
585.30664	37.6
586.31384	2.0
587.28552	17.1
602.30957	38.0
603.31128	2.1
617.33264	100.0
618.33606	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	619.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
59.01368	1.7
62.96056	1.7
69.26869	7.6
75.00457	2.6
75.00864	29.2
85.50349	1.4
104.18481	1.6
107.04992	2.1
109.02956	1.5
121.02926	2.8
123.00866	1.8
123.04510	2.8
125.02450	13.5
137.02461	8.8
139.04024	3.0
145.02937	1.8
149.02425	4.9
151.03993	6.5
151.17805	1.6
157.79538	1.7
163.03925	2.0
164.01073	2.0
165.01897	11.0
167.03522	8.8
175.03955	1.7
177.01915	7.2
179.03453	2.4
189.01784	2.1
191.03491	3.2
192.00722	1.9
193.01398	97.5
203.22266	1.5
207.02968	8.9
207.10176	1.7
235.02452	11.9
257.04590	1.6
261.03931	2.4
305.06668	3.1
313.05646	100.0
313.12903	35.0
314.05847	2.2
327.04471	1.7
404.94440	1.7
544.25458	1.6
637.27850	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	619.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
59.01369	1.4
67.64368	0.5
69.03465	1.2
72.83348	0.5
75.60500	0.5
80.25179	0.5
81.03475	0.9
83.01345	1.3
93.03476	0.7
95.01394	0.9
95.05048	0.7
97.02943	1.5
102.78134	0.6
105.03465	0.8
107.01379	1.1
109.02929	1.4
111.04529	0.9
114.64957	0.6
121.02955	0.9
123.00857	3.2
124.01691	2.9
125.02443	87.2
125.94115	0.6
126.02773	1.1
137.02441	6.9
138.03194	0.9
139.00282	0.8
139.04007	4.8
149.02458	1.3
151.04037	1.4
151.13947	0.8
160.01558	1.1
161.02463	4.7
162.03267	0.8
164.01105	1.4
165.01923	5.4
166.02693	0.7
166.99808	1.5
167.03496	11.5
168.00645	1.2
169.01419	100.0
170.01807	1.1
175.04024	1.1
175.19392	0.6
177.01938	2.1
177.05598	1.4
179.03542	3.3
193.01428	12.2
201.05510	1.1
203.03465	1.1
204.04149	0.7
205.01367	1.3
219.06599	3.5
221.04474	1.4
221.77165	0.6
225.05537	1.3
229.01538	0.8
241.05002	1.0
243.03049	0.6
243.06604	1.5
245.04556	0.9
261.07611	2.1
269.04581	5.5
275.05685	0.9
287.05573	2.6
305.06677	9.8
319.04510	1.6
331.04047	3.2
331.06644	10.8
332.07092	0.7
437.10760	1.7
449.10770	3.1
457.07657	11.1
467.11911	13.8
481.09863	3.4
617.47083	0.7
619.13013	23.7
620.13202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.3
69.03429	1.7
71.01384	5.3
73.02960	1.9
81.03457	7.5
83.01387	5.6
83.59662	1.1
85.02956	3.1
87.00886	1.9
89.02438	1.4
93.03461	2.6
95.01385	3.0
95.05040	6.2
96.96002	1.3
97.02959	3.7
99.00875	1.5
99.04527	1.4
101.02474	2.3
101.06065	2.6
105.03436	2.7
109.02960	5.7
111.00907	1.9
111.04508	1.7
113.02444	2.7
115.60672	1.1
118.45756	1.2
121.02940	2.8
123.04520	10.7
125.02453	18.2
125.06080	8.2
127.07619	1.9
133.02971	4.5
137.02437	4.0
137.06047	3.3
139.04015	4.9
147.04494	2.2
149.02425	2.2
150.03209	1.8
151.04024	4.2
158.85995	1.1
161.02455	26.2
161.22615	1.4
165.01903	3.2
165.05545	2.3
165.09204	9.2
166.02736	2.6
167.03503	21.4
169.01413	8.4
172.58507	1.3
174.21213	1.2
177.01929	42.3
177.09195	2.3
179.03517	2.8
179.10756	3.0
181.05104	1.6
181.08701	2.5
183.10297	1.8
189.01981	7.0
193.01364	3.0
197.04565	4.0
203.10759	2.0
205.08612	1.8
207.10237	1.9
209.04585	25.0
209.08081	9.0
217.01367	7.8
221.08141	5.2
223.09698	2.7
231.10448	1.5
235.09821	3.8
239.05591	9.1
241.09798	1.7
247.09763	1.3
251.09245	22.4
255.03014	6.4
263.09174	8.5
269.06686	1.4
269.12930	2.7
281.10269	6.4
285.04297	1.4
287.05627	4.7
293.10318	100.0
294.10852	2.0
297.04037	4.0
305.10281	5.4
317.10342	1.6
321.03900	3.8
323.11343	71.7
324.11655	2.6
335.11316	3.1
339.05106	9.2
353.12473	20.6
357.06073	2.1
365.12234	1.8
377.12274	3.1
395.13385	4.3
413.14523	22.7
425.14545	3.2
437.14383	2.0
443.15680	2.8
449.08823	14.3
450.09048	1.7
455.15518	7.3
467.09866	7.6
485.16431	1.5
502.60596	1.2
533.18689	3.7
559.26166	2.3
575.19476	3.0
577.29315	1.4
601.26642	2.0
619.10852	2.2
619.29089	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	619.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50272	1.0
64.41509	0.9
67.37325	0.9
71.44944	1.3
72.99312	5.0
75.00873	73.6
88.00428	1.0
107.05013	1.2
109.02953	1.4
117.01155	1.0
123.00878	1.2
125.02454	9.6
137.02434	2.7
137.06071	1.6
146.64287	0.9
151.03970	1.2
167.03491	4.1
169.01425	2.7
177.01932	3.8
179.07118	1.5
193.01459	5.5
207.10217	2.2
279.10831	0.9
303.05099	1.3
305.06628	2.6
313.05743	4.6
313.12936	100.0
314.13171	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	619.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.2
59.37171	0.3
71.01382	3.4
73.02941	1.3
73.70316	0.3
79.05538	0.5
81.07094	7.4
81.07539	0.6
83.01382	0.6
83.05010	1.3
85.02917	0.5
89.02435	2.9
94.04219	0.8
95.05010	0.7
101.02415	1.8
109.06579	5.9
113.01751	0.4
113.02412	1.7
119.03504	1.0
123.04522	18.7
127.07650	14.1
127.08612	0.4
131.03415	0.4
138.03224	8.1
153.05569	100.0
154.05899	1.2
161.04541	1.2
171.06627	11.6
179.05595	1.5
184.72151	0.3
194.75018	0.3
253.10849	1.0
285.09723	0.5
415.16238	0.3
439.16043	51.6
440.16379	2.0
619.22369	3.8
620.22565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03432	4.6
59.01380	70.9
61.98821	13.9
69.03436	1.6
71.01382	50.8
73.02956	12.7
81.50937	1.6
83.01381	9.9
85.02944	22.0
87.00848	4.0
88.98796	2.9
89.02439	27.3
95.01405	4.3
96.96004	3.4
99.00877	5.5
101.02430	38.3
108.02159	3.5
109.02905	2.7
111.00876	1.9
113.02438	22.6
119.03510	11.6
119.67596	1.6
122.03709	2.0
123.00922	2.0
123.04514	3.9
124.01665	3.2
125.02412	6.8
131.03546	2.6
135.04521	2.0
137.02454	8.4
138.03206	3.5
139.03902	1.9
141.48550	1.5
143.03436	2.7
149.04518	1.8
151.03941	1.9
161.04568	12.5
165.05574	1.9
174.49207	1.4
176.08415	11.4
177.01927	1.8
177.09200	2.0
178.10011	1.6
179.05597	11.5
182.02170	4.0
191.10751	24.5
191.67393	1.6
193.08760	1.6
193.12314	3.8
194.09245	1.7
197.04543	6.2
198.28474	1.5
207.66389	2.1
209.11827	66.9
218.09410	3.0
221.06651	3.9
226.68382	1.6
251.16483	2.1
252.16794	2.0
253.32828	1.9
263.16580	3.6
265.14429	11.8
279.12207	2.1
280.12881	2.8
295.19189	2.9
325.16449	3.7
353.16061	24.8
371.17075	100.0
372.17459	4.2
378.11124	1.6
397.22379	10.0
409.97366	1.8
413.12625	3.3
413.18076	52.4
414.18539	2.9
457.20313	3.4
460.84698	1.9
487.22171	2.9
537.69482	2.2
559.27509	76.2
577.28540	4.3
587.76978	1.9
619.25330	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	619.2557
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.05149	7.8
59.28539	7.1
62.35023	7.4
71.13864	14.5
89.26669	7.4
110.27173	7.1
112.15144	7.0
126.59491	7.4
137.25430	7.4
152.24284	8.6
206.66978	7.7
276.05502	8.1
378.35678	9.1
416.16504	10.4
459.18185	100.0
460.19028	9.7
518.19647	44.2
532.21594	9.7
533.21759	99.7
619.25684	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
60.20993	0.7
69.65477	3.5
71.01392	4.8
73.02951	1.0
85.02943	2.2
89.02441	4.4
95.01395	0.8
96.96033	4.4
101.02427	3.1
102.16940	0.8
107.61807	0.9
109.02926	0.9
110.03712	0.8
111.04470	1.0
113.02442	3.1
116.37551	0.9
119.03488	1.7
122.03732	21.2
123.04508	5.4
125.02463	4.0
135.04565	3.9
135.53842	0.8
136.05305	1.5
137.02415	2.0
137.06056	2.0
138.03221	17.0
147.04582	1.0
148.05280	2.5
151.04031	10.3
152.04767	2.7
161.02449	1.0
161.04599	1.0
165.05553	5.5
169.01456	1.4
175.07651	1.2
209.11816	1.4
218.12943	1.1
231.13881	3.5
233.15437	3.6
235.13414	0.9
239.12973	1.2
247.04591	0.8
249.14915	12.3
250.15704	1.6
251.12865	1.4
259.13400	16.3
262.11804	0.8
267.15939	1.2
276.13657	2.2
277.14423	51.3
278.14749	1.5
279.15939	1.1
280.12933	1.0
285.84821	0.8
293.13849	4.9
294.14709	24.1
295.15488	100.0
296.15707	1.6
296.77530	1.1
309.17252	1.8
319.15521	3.3
336.15652	1.1
337.16504	2.4
371.17087	1.7
404.17209	0.8
413.18182	1.6
439.19980	1.6
457.20770	57.9
458.21069	2.0
499.21597	2.0
559.26910	1.2
583.23621	2.5
619.26019	67.4
620.26617	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	619.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
59.01377	100.0
69.65112	7.2
71.01376	35.3
73.02940	10.4
75.00897	2.2
83.01402	4.3
85.02940	12.4
88.88932	2.0
89.02444	28.5
89.77498	1.9
95.01386	4.4
98.22545	4.9
101.02444	22.2
113.02456	26.1
119.03503	16.9
122.70995	2.3
130.63292	2.2
138.97099	3.9
143.03508	5.5
143.05032	4.9
144.18037	2.1
149.04588	3.6
160.27151	2.4
161.04523	13.6
165.42319	2.0
172.84053	2.4
178.50928	2.2
179.05647	11.5
233.00711	2.3
314.09277	2.4
351.08643	4.4
373.78708	2.8
379.08206	15.1
409.09195	8.3
499.12350	3.3
515.24823	18.9
533.25677	12.9
544.79620	2.4
575.27124	3.5
619.16632	39.9
620.17157	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	619.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
60.20993	0.7
69.65477	3.5
71.01392	4.8
73.02951	1.0
85.02943	2.2
89.02441	4.4
95.01395	0.8
96.96033	4.4
101.02427	3.1
102.16940	0.8
107.61807	0.9
109.02926	0.9
110.03712	0.8
111.04470	1.0
113.02442	3.1
116.37551	0.9
119.03488	1.7
122.03732	21.2
123.04508	5.4
125.02463	4.0
135.04565	3.9
135.53842	0.8
136.05305	1.5
137.02415	2.0
137.06056	2.0
138.03221	17.0
147.04582	1.0
148.05280	2.5
151.04031	10.3
152.04767	2.7
161.02449	1.0
161.04599	1.0
165.05553	5.5
169.01456	1.4
175.07651	1.2
209.11816	1.4
218.12943	1.1
231.13881	3.5
233.15437	3.6
235.13414	0.9
239.12973	1.2
247.04591	0.8
249.14915	12.3
250.15704	1.6
251.12865	1.4
259.13400	16.3
262.11804	0.8
267.15939	1.2
276.13657	2.2
277.14423	51.3
278.14749	1.5
279.15939	1.1
280.12933	1.0
285.84821	0.8
293.13849	4.9
294.14709	24.1
295.15488	100.0
296.15707	1.6
296.77530	1.1
309.17252	1.8
319.15521	3.3
336.15652	1.1
337.16504	2.4
371.17087	1.7
404.17209	0.8
413.18182	1.6
439.19980	1.6
457.20770	57.9
458.21069	2.0
499.21597	2.0
559.26910	1.2
583.23621	2.5
619.26019	67.4
620.26617	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	619.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25077	0.3
55.46928	0.3
59.01376	2.5
61.98828	0.8
67.97338	0.3
68.50229	0.3
69.12848	2.0
71.01372	1.5
72.99309	0.4
85.02941	0.4
89.02462	0.9
91.03931	0.3
95.01355	0.4
96.02212	0.7
101.02441	1.1
108.02176	3.3
109.02942	1.0
111.00900	0.4
113.02429	0.7
119.03476	0.4
123.00867	0.7
124.01641	3.0
125.02454	0.5
138.03191	0.4
138.10820	0.4
150.03227	0.5
152.01140	3.7
153.01942	0.9
154.07552	0.3
166.02707	1.3
167.03471	0.3
171.10265	1.1
183.12019	0.3
183.88095	0.4
184.00148	0.4
185.11816	0.4
210.12137	0.4
235.08104	0.4
249.18597	9.7
265.18076	4.5
275.16589	0.4
277.18069	48.7
278.18463	1.7
279.19656	1.5
293.17575	100.0
294.18225	8.3
295.19125	2.9
305.17462	0.4
307.19095	3.2
319.19092	0.5
339.23257	1.1
383.22324	1.9
401.23206	1.9
439.23376	2.3
456.23621	29.4
457.24298	4.3
619.29883	23.1
620.30432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96444	0.9
57.03451	1.9
59.01376	100.0
61.98829	8.9
69.03432	0.8
69.20703	4.7
71.01379	36.2
72.99321	1.8
73.02940	4.8
76.71945	0.8
82.71851	0.9
83.01373	1.7
85.02942	8.0
87.00881	2.4
88.98806	2.4
89.02439	43.5
91.87295	0.8
93.05815	0.8
93.77639	0.8
95.01382	2.6
96.96012	13.4
97.02939	1.9
97.20638	0.9
97.94632	0.9
99.00862	2.1
101.02441	22.5
109.02926	1.5
111.00842	1.2
113.01696	1.3
113.02442	15.3
115.00387	1.8
119.03494	17.9
120.45068	1.0
122.03758	0.9
123.04463	0.9
125.02463	7.5
131.03491	3.8
133.01424	2.8
136.05284	1.0
137.02365	1.5
143.03459	4.5
149.04549	2.2
151.41048	1.0
161.02454	1.6
161.04567	7.4
167.03494	1.4
169.01340	1.2
177.01991	1.1
179.05598	25.1
194.09505	1.5
209.11812	24.0
210.12042	1.1
212.39540	1.1
221.06683	2.2
233.49542	0.9
251.12772	1.0
251.16582	0.9
263.07712	2.0
295.15607	1.1
353.15945	13.6
371.17075	32.8
372.17361	1.7
413.18079	21.0
457.24567	1.9
547.28729	0.9
559.27563	14.0
577.28638	2.5
584.26117	0.9
619.25879	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	619.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85838	1.4
57.03438	1.6
59.01377	100.0
61.50998	1.3
61.98816	2.0
63.29699	1.3
68.45504	1.5
69.19775	7.1
71.01380	50.7
73.02937	6.3
83.01379	3.5
84.95135	1.5
85.02946	11.6
87.00896	1.8
89.02445	51.5
89.58813	1.5
95.01357	2.5
96.96011	13.2
99.00856	1.8
101.02452	28.7
113.02443	20.0
119.03510	18.0
125.02456	6.5
131.03436	3.3
143.03464	3.7
149.04572	2.8
161.04561	8.7
169.01379	1.9
174.03145	1.4
179.05603	26.7
220.92635	1.5
253.14406	2.4
286.33505	1.6
397.22412	1.7
509.13181	1.8
559.27576	82.3
560.28021	4.3
577.28198	4.4
581.22137	4.7
619.16602	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	619.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.5
57.03462	2.3
59.01379	49.6
61.98830	11.1
66.79762	1.2
69.51067	3.4
69.51450	2.8
71.01383	41.5
72.99287	1.9
73.02948	10.7
73.69571	1.2
79.73570	1.5
83.01392	6.3
85.00465	2.0
85.02952	20.3
87.00890	3.6
88.98802	2.7
89.02448	16.9
91.41603	1.3
95.01395	3.1
96.96037	2.5
99.00860	2.9
101.02445	35.4
103.01418	1.7
111.00887	1.6
113.02455	15.7
119.03504	7.7
123.28465	1.4
125.02447	4.0
131.03503	1.6
143.03473	4.2
151.04027	2.3
159.02982	2.9
161.04539	9.6
167.03500	1.6
179.05646	5.8
182.02203	3.1
191.10770	2.3
197.04572	6.4
209.11815	8.6
235.13376	2.4
235.16943	1.9
238.12047	2.4
245.06635	1.4
253.14514	2.0
265.14389	2.6
323.09869	1.8
353.16034	6.2
353.65289	1.6
371.17096	10.2
397.22339	13.6
410.65118	1.5
413.18250	15.5
559.27570	100.0
560.27875	4.4
618.79266	1.8
619.27863	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	619.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.7
59.01377	71.0
61.98533	1.7
61.98826	19.0
69.03442	1.5
69.28651	2.4
69.29061	3.1
70.26691	1.0
71.01379	54.6
71.39744	0.9
72.99303	2.9
73.02942	13.7
75.00863	1.4
78.91892	1.5
80.64521	1.0
81.03482	1.3
83.01391	5.5
85.02945	18.3
87.00880	2.9
88.98807	5.2
89.02437	39.8
95.01375	5.2
97.02957	2.1
99.00871	4.6
101.02444	36.6
111.00871	2.7
113.02449	19.6
119.03493	14.9
125.02450	9.3
131.03470	2.0
143.03476	5.2
147.71959	1.1
151.07715	1.2
159.02974	3.5
161.04562	13.9
162.83884	1.0
163.39743	1.2
165.01898	1.3
179.05609	16.7
204.65118	1.1
263.07632	1.4
353.10266	1.4
397.22314	8.5
421.26300	1.4
457.21817	1.7
508.99841	1.0
559.27563	100.0
560.27942	5.6
619.23682	2.6
619.29138	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11376	1.0
57.03398	1.0
59.01377	100.0
61.14101	1.2
63.40391	1.1
70.62539	1.3
74.94247	1.4
75.00856	3.3
96.95994	5.6
103.00358	5.1
103.01497	85.1
177.87390	1.4
237.22261	2.3
293.21024	1.4
337.20349	1.3
386.75018	1.3
432.98990	1.3
532.22644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76792	4.9
53.13083	4.8
55.27804	4.5
57.51941	4.8
59.01377	100.0
61.98835	6.1
70.44968	9.3
78.95889	11.3
87.21819	4.8
96.95992	7.5
102.00819	4.9
103.00418	8.1
103.01501	77.4
110.55604	5.1
142.17590	4.3
152.99535	5.6
267.92560	5.7
597.39362	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	619.4369
Annotation	Annomosin A
Peak:m/z	Relative Intensity
50.11003	20.4
71.45902	34.4
78.17433	20.5
87.87409	22.8
101.41384	21.1
110.68625	21.4
139.50191	18.9
143.70459	23.8
201.04839	20.2
303.23267	34.6
315.19699	64.3
344.45157	24.3
505.74023	21.2
619.43683	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	620.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32941	0.5
61.98829	100.0
69.79649	0.8
82.15163	0.5
116.98906	0.5
148.72937	0.5
168.71785	0.6
250.01903	0.5
312.31601	0.6
461.94339	0.5
539.34137	0.5
557.47797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70586	0.9
57.03442	11.4
57.14246	0.8
59.01370	2.5
61.98823	1.8
69.34439	1.5
69.34838	2.9
70.38868	0.8
71.01379	1.0
76.91434	0.9
81.03455	1.2
83.01375	2.4
85.72747	0.8
89.02445	1.1
91.71258	0.8
95.05015	1.4
101.02411	0.9
105.03460	3.9
106.51649	0.9
125.02443	100.0
126.02760	1.6
133.02916	1.7
137.02460	7.9
161.02438	47.9
166.02663	0.9
177.05580	3.4
201.05600	1.0
269.04480	2.7
281.67468	1.0
287.05597	19.9
544.08600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
57.62909	0.9
59.01373	12.8
70.88454	1.0
71.01368	4.0
73.02932	1.5
75.40032	0.9
83.01357	1.0
86.71282	1.0
96.96023	4.4
98.22667	2.0
109.02956	0.9
113.02425	1.0
125.02450	8.2
137.02397	1.2
141.01707	1.2
146.84164	0.9
149.02446	1.5
156.99124	1.5
161.02434	2.7
161.04558	1.6
161.05978	1.1
163.03986	1.6
167.03465	1.5
169.01439	4.3
170.01755	1.8
175.03957	1.7
177.01930	3.7
177.05507	1.5
178.54866	0.9
187.04105	1.2
189.01978	1.2
189.05629	1.6
190.02707	1.0
191.03484	2.1
203.03464	2.5
204.04243	3.7
204.37250	0.9
205.05089	5.7
217.05023	5.5
218.05823	9.7
219.06619	24.9
220.07019	1.0
221.04562	1.7
227.03369	1.1
229.04965	3.0
231.06633	2.6
233.04552	5.2
237.14944	67.7
243.03094	1.4
245.04541	5.7
246.05264	1.3
247.06093	11.9
250.04810	1.8
257.04620	1.9
259.06049	2.7
273.03970	1.2
275.05612	46.4
276.05878	1.8
285.04190	1.1
287.05643	5.8
289.07135	1.4
303.05023	1.4
305.06674	20.2
317.06589	1.9
381.09729	25.1
399.20309	5.5
411.10852	13.0
423.11157	1.3
441.11697	1.7
483.13022	1.1
501.14032	12.3
531.14642	2.7
561.18610	3.1
621.18170	100.0
622.18500	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	621.1822
Annotation	Afrormosin 7-O-laminaribioside
Peak:m/z	Relative Intensity
55.01875	3.2
55.68519	1.0
57.03451	7.9
59.01376	55.5
61.98834	10.4
63.22066	1.1
68.99812	4.1
71.01380	70.0
72.99304	11.9
73.02952	11.9
75.00877	32.6
81.03474	1.6
83.01399	7.3
84.02161	1.3
85.02950	55.1
87.00868	17.4
89.02447	18.0
91.04018	1.7
93.03419	2.1
94.46169	1.4
95.01392	11.0
96.95997	2.6
97.02936	1.5
97.40343	1.2
99.00873	22.8
99.04538	1.2
101.02445	17.8
103.00357	2.7
104.66323	1.0
108.02139	1.8
109.02958	2.0
111.00867	7.8
113.02450	60.5
115.00363	4.6
116.92904	1.2
117.01929	5.0
119.03491	2.9
121.02930	2.8
123.04485	2.5
125.02449	9.9
129.01935	3.9
130.08191	1.4
131.03502	1.6
143.03491	2.0
145.02917	2.8
146.03659	2.0
147.04518	3.6
148.05305	3.8
157.01329	2.1
159.02988	2.5
161.02454	1.6
161.04547	8.9
161.05769	1.6
167.03513	3.6
169.01433	1.6
173.02391	2.2
174.03210	10.9
175.02438	4.1
175.03857	1.5
177.01866	2.3
179.05565	2.5
189.03966	2.0
191.07137	2.6
193.62845	1.2
202.02719	3.0
207.05083	1.7
209.51088	1.2
215.03488	2.4
217.04990	2.4
221.06271	1.5
222.06898	1.3
223.07637	2.6
231.05103	3.8
233.06279	1.9
235.05862	2.6
235.07890	2.1
237.05505	2.3
239.07059	3.8
248.04764	1.5
249.06117	39.3
250.06239	3.7
251.07057	9.7
261.05484	1.9
262.06320	2.0
263.07047	9.0
264.07901	5.3
265.04962	3.7
265.08594	1.8
266.05759	2.0
267.07141	98.1
268.07358	2.9
277.05151	3.4
277.08472	1.6
278.05685	2.1
279.06573	17.0
279.10126	9.9
280.07248	4.3
281.08163	1.2
281.13910	8.5
282.08981	9.1
282.14673	3.0
293.04608	4.2
293.08051	2.7
294.05307	5.5
294.08932	9.7
295.06024	5.0
295.09363	1.4
297.11203	2.5
307.06009	1.5
308.06885	4.4
309.07584	5.7
310.08411	1.9
321.07587	2.9
321.24405	1.2
322.08334	4.8
323.05521	12.6
323.09213	14.1
326.07864	2.7
335.09280	1.7
338.07965	13.4
339.08597	4.6
341.10306	8.9
353.10294	45.6
354.10706	1.8
371.11218	3.9
381.09610	1.6
397.09094	1.4
399.23749	3.5
412.11337	1.6
415.13547	1.8
427.13876	2.8
427.19427	1.7
443.19467	2.7
444.19931	3.7
445.14786	2.0
447.09195	2.2
459.22186	6.9
485.12970	12.2
541.16833	2.2
543.15588	1.4
561.29114	49.2
561.37823	2.6
571.14777	2.4
573.16003	1.4
585.15869	4.6
591.17206	41.7
592.17731	1.7
602.23486	1.2
603.17163	71.8
604.17334	4.2
621.18195	100.0
621.27142	5.8
622.18793	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	621.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50463	1.3
59.01382	23.5
69.43024	5.8
71.01376	13.0
73.02946	8.5
81.46287	1.3
83.01389	3.0
85.02961	4.8
89.02464	4.8
93.03430	1.1
96.96023	1.8
99.00899	1.5
101.02434	6.9
108.02206	1.7
111.00880	5.1
113.02454	6.7
119.03533	2.1
121.02961	9.5
123.04531	3.9
125.02454	4.7
135.04486	1.6
145.02992	1.2
146.39067	1.2
147.04468	1.1
153.01971	2.4
161.04562	1.6
162.06961	1.6
169.01431	1.8
195.06535	1.3
241.05148	1.8
247.05840	1.3
254.05859	1.8
255.06706	4.7
267.06625	6.9
268.07333	3.4
269.08176	19.1
280.07504	2.5
281.08228	5.4
283.09702	17.4
284.10501	6.7
295.09787	4.3
296.10440	2.8
299.35522	1.2
311.09244	15.8
311.12634	2.3
325.10855	3.5
328.09567	6.6
340.09555	15.0
343.11850	100.0
344.12057	2.6
351.16183	1.6
355.11853	39.0
356.12247	2.5
357.13467	3.5
373.12973	18.4
385.12830	6.9
397.12885	2.8
561.29187	15.3
561.37164	2.1
579.30164	9.2
621.31799	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	621.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77200	0.9
74.38327	0.3
91.91225	0.4
93.78265	0.3
95.01443	0.4
97.67114	0.4
103.92001	0.5
122.89424	1.4
123.00881	1.4
137.62889	0.4
137.99591	1.8
144.94508	0.3
145.92336	0.6
148.90927	0.5
157.92287	1.1
165.99107	1.0
167.14424	1.0
173.91852	0.7
181.28951	0.4
185.91756	2.0
207.94748	0.4
213.91284	1.0
214.92230	0.4
223.13358	1.9
241.90732	12.7
241.93089	0.7
242.91248	0.7
254.91547	1.5
255.92284	1.3
257.55939	0.3
265.14420	2.1
272.90121	0.7
273.89725	8.2
303.19846	0.3
321.07916	0.4
327.04440	2.5
354.04352	1.3
355.04025	100.0
356.04379	3.3
361.07483	0.6
362.08136	0.3
375.49664	0.3
497.19144	0.4
557.22064	1.1
558.21680	0.4
579.63275	0.4
585.21393	4.3
637.12262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01079	1.2
59.01377	21.1
69.94323	1.8
69.94669	1.2
71.01381	9.0
73.02935	0.9
85.02940	1.9
85.06586	7.3
87.92876	0.8
89.02438	11.1
93.86902	0.7
95.01389	1.5
97.75871	0.8
101.02444	7.2
102.78194	0.8
113.02449	4.1
113.06084	1.6
115.07630	1.0
115.83480	0.7
119.03506	3.7
127.07666	1.3
131.07140	37.5
133.97816	0.8
139.68646	0.7
173.08136	0.9
222.48434	0.9
293.12427	100.0
294.12793	2.7
303.70078	0.9
310.99597	0.7
426.49802	0.8
449.98572	0.9
482.92386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84969	0.7
57.03451	0.8
59.01371	5.7
61.54012	0.7
67.74894	0.7
69.26347	3.1
69.26744	1.1
71.01384	1.8
73.02932	0.7
73.66757	0.6
74.22543	0.7
74.22955	0.6
75.49065	0.7
81.63275	0.6
83.01386	1.1
84.36867	0.7
89.02448	0.9
95.05029	0.7
97.02947	1.1
101.02432	1.1
105.26835	0.7
107.05048	1.0
108.02172	2.4
109.02953	2.3
111.00928	1.1
113.02447	1.1
121.02938	2.3
122.03732	2.5
123.00862	1.6
123.04530	1.6
124.01659	17.9
125.02465	6.1
131.05005	1.3
133.02948	2.2
135.04535	1.4
137.02440	2.6
138.03247	1.4
139.00343	4.5
148.05487	0.8
149.02446	0.9
150.03215	1.3
150.05629	1.6
151.03970	3.6
152.01154	1.2
153.01871	0.9
155.04953	0.7
159.04585	0.9
161.02483	4.4
163.04033	1.5
164.04724	0.8
167.03500	1.8
169.01457	2.0
171.04729	0.9
173.86375	0.8
174.03168	0.8
175.03984	8.4
177.01915	10.0
177.05695	0.9
187.04018	2.6
189.02008	0.8
193.04962	0.9
199.04002	3.3
203.03423	1.2
205.05150	0.8
205.12274	0.9
215.10689	1.2
217.05022	4.9
217.12251	8.4
219.02982	1.7
227.03523	1.0
229.05090	1.3
229.09897	0.7
230.11812	1.1
233.11812	4.6
243.02968	23.1
244.03473	0.9
245.62384	0.7
249.11255	6.5
251.12949	1.5
255.02933	6.4
256.03644	0.8
260.22064	0.8
261.03986	3.4
261.11304	5.6
267.12302	9.0
273.04111	5.2
273.12411	1.4
277.11041	1.6
279.12357	100.0
280.12848	2.5
281.13885	1.1
285.03979	1.0
293.14005	0.8
295.11856	98.8
296.12564	15.2
305.06607	1.1
309.13434	1.0
317.11234	1.3
321.13336	3.1
335.12482	10.5
379.08353	1.1
387.04865	1.3
405.06097	5.9
414.99799	5.0
417.13461	1.0
423.07242	3.0
437.08731	3.1
441.17459	1.3
458.17920	12.8
459.18527	1.7
561.28931	1.8
603.11182	2.1
621.23962	59.8
622.24286	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	621.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71231	0.7
53.25127	0.8
59.01363	3.6
103.01467	2.0
119.66994	1.0
174.38069	0.9
203.12576	0.9
237.00221	0.8
284.38580	0.8
445.16318	1.8
446.17346	1.3
459.21872	2.5
460.19138	10.8
461.19873	26.5
462.20013	1.1
474.20966	1.5
475.21368	3.6
489.48950	0.8
515.11993	1.1
519.20239	12.0
520.20898	2.0
606.24500	1.4
621.27173	100.0
622.27423	5.7
638.01294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03443	0.4
59.01377	5.8
71.01374	2.0
71.05006	0.5
72.99311	0.6
73.02946	0.9
81.03448	0.3
83.01378	0.4
85.02943	0.9
89.02440	0.7
95.04992	0.4
96.95990	0.5
101.02431	1.2
105.59023	0.3
109.02936	0.5
111.00832	0.4
113.02424	1.0
121.02942	0.5
125.02431	3.8
136.05254	0.6
137.02505	0.6
139.04112	0.4
149.02417	0.5
152.18404	0.3
161.02504	0.4
161.04526	2.5
167.03465	0.8
169.01436	1.8
175.04045	0.7
177.01979	1.5
177.05531	0.5
179.03384	0.3
204.04237	0.5
205.05023	0.4
217.01056	0.3
217.04968	0.6
217.12315	0.3
218.05873	1.0
219.06572	2.4
221.06866	0.3
235.13370	0.8
237.14937	100.0
238.15257	2.4
243.03075	0.4
245.04498	0.7
247.06029	1.4
247.17061	0.4
275.05566	4.4
279.12280	1.2
281.13907	0.7
287.05746	1.0
295.11896	0.6
295.15271	0.4
297.13376	1.4
305.06686	1.9
381.09814	2.6
387.08929	0.5
399.20245	11.8
400.20355	0.6
411.10825	1.0
501.13898	0.8
561.27753	0.5
578.29053	0.5
621.17596	7.3
622.18561	0.8
642.15240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03433	2.3
59.01379	87.9
61.35981	0.7
61.40866	0.8
61.98826	1.7
69.16571	5.9
71.01379	8.6
72.99279	0.8
73.02949	4.3
78.05588	0.9
83.01369	2.2
85.02946	5.1
87.00880	1.4
88.98824	1.4
89.02429	3.6
95.01380	1.8
96.96010	7.3
98.95588	2.6
99.00870	1.9
101.02438	9.1
113.02444	5.8
119.03451	1.0
119.53421	0.8
121.02929	1.1
123.08145	1.5
125.02457	5.8
138.93031	0.9
141.01755	1.2
143.03510	1.6
153.01923	1.2
161.04573	1.7
169.01500	1.8
171.10223	1.0
172.64119	0.9
178.83699	1.0
191.62532	0.8
197.11766	1.3
205.12491	1.1
223.13364	7.6
253.18018	1.7
277.21735	2.1
282.14578	2.7
295.22681	1.3
297.17029	1.1
325.20267	1.5
355.24850	1.5
361.19934	1.0
373.26083	5.6
397.13409	4.5
415.14450	1.6
421.25830	1.4
439.27121	2.4
457.28006	5.8
459.22427	1.7
475.29160	2.5
517.30164	1.4
535.31281	1.8
559.31122	1.3
577.32245	100.0
578.32788	5.0
621.30945	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03440	2.5
59.01376	25.0
61.98835	4.9
64.58080	1.1
69.41983	4.0
71.01379	33.6
72.99317	1.7
73.02932	11.1
75.00829	1.1
83.01383	3.7
85.02945	15.4
89.02440	9.5
93.03455	1.0
95.01386	2.9
97.02943	1.4
99.00875	3.9
101.02436	27.5
111.00877	2.3
113.02448	14.9
119.03498	2.7
125.02428	3.1
137.02434	1.3
143.03468	2.3
159.02951	2.3
161.04561	12.3
165.05595	1.2
179.05540	1.6
195.06560	1.2
317.49829	1.0
399.23819	7.0
415.13977	1.1
537.21033	1.3
561.29144	100.0
562.29840	5.8
621.27570	2.0
637.57861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
56.93516	1.2
57.03437	2.6
59.01377	46.9
61.98826	52.8
68.67407	1.1
69.62985	2.4
71.01378	47.0
72.99304	2.4
73.02939	13.4
75.00875	2.1
81.03474	1.5
82.95429	1.8
83.01385	6.0
85.02943	18.3
85.85925	1.2
86.95965	1.4
87.00863	2.2
88.98788	2.0
89.02446	11.0
91.60616	1.0
94.59837	1.0
95.01380	3.5
96.96023	4.1
98.13744	1.0
99.00870	5.1
101.02438	32.9
111.00862	1.3
113.02442	17.8
113.03149	1.8
116.92863	4.4
119.03477	3.3
123.04599	1.3
124.01623	1.6
125.02414	12.1
132.07228	1.1
137.02419	2.5
143.03493	4.6
159.02971	2.1
161.04555	18.7
167.03458	2.9
169.01448	3.3
177.01949	2.9
179.05643	3.1
191.07132	6.3
212.55374	1.3
247.40677	1.3
252.06329	6.5
267.08710	29.9
281.13986	5.6
282.11047	15.7
287.05576	1.7
297.13452	9.4
399.23911	9.1
459.23276	2.8
463.21307	2.3
501.16418	4.8
560.28619	1.3
561.19843	4.8
561.29016	100.0
562.29407	5.4
578.29205	2.5
584.20844	1.2
621.23645	31.4
622.23962	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	621.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
57.03458	1.6
59.01376	33.2
61.98827	1.6
69.12089	6.2
70.70115	1.1
71.01382	40.2
72.99294	1.1
73.02943	13.6
74.34025	1.3
75.00877	1.6
83.01375	5.1
85.02946	19.9
86.84603	1.3
87.00887	2.4
88.98773	1.8
89.02441	12.5
90.26644	1.2
95.01378	3.0
96.88976	1.4
97.02966	2.0
98.21881	2.7
99.00858	4.9
101.02440	27.4
109.37605	1.3
111.00877	13.5
113.02453	16.4
119.03485	4.2
125.02456	3.8
143.03450	2.5
159.02982	3.4
161.04550	15.2
173.00879	3.0
179.05571	2.4
211.47641	1.4
275.36523	1.3
306.80396	1.3
318.95172	1.4
366.95801	1.3
399.23828	10.9
436.64157	1.3
561.29132	100.0
562.29260	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	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03439	2.5
59.01379	37.1
61.98829	25.2
62.76313	0.8
71.01381	40.2
72.99281	1.2
73.02948	13.0
74.03846	0.8
81.03441	1.2
82.95424	0.9
83.01380	5.9
84.02151	1.0
84.95171	1.0
85.02950	15.9
87.00880	3.3
88.98784	2.3
89.01920	1.6
89.02448	21.3
89.47636	0.7
95.01397	2.5
96.95993	1.3
97.02966	2.0
99.00896	3.1
101.02442	34.3
104.69391	0.8
109.02969	1.2
111.00873	1.5
113.02441	17.2
116.92870	2.2
119.03500	8.6
125.02425	7.7
131.03473	1.2
137.02415	1.2
143.03523	2.9
159.03001	2.5
161.02455	1.2
161.04553	13.7
161.76079	0.8
166.02719	1.4
167.03474	2.3
169.01477	1.9
177.01862	1.0
179.05602	10.5
181.66090	0.8
209.11792	0.8
221.06645	3.4
237.18622	2.0
237.95093	1.0
247.21892	0.8
251.16527	1.1
255.62970	1.1
263.07614	0.9
267.35660	0.8
281.14014	4.6
281.96960	0.8
282.14731	12.5
293.10336	1.0
294.10696	0.9
295.10776	0.8
297.17136	4.1
323.09952	3.3
353.10373	0.9
355.11902	2.9
378.16937	0.8
399.23862	7.6
417.15494	1.8
423.27594	1.2
459.22574	3.0
499.94333	0.9
531.34857	1.0
561.29120	100.0
562.29327	4.3
579.29980	2.0
621.27466	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	622.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86955	0.5
53.12678	0.4
55.69622	0.4
58.02971	0.7
60.43340	0.5
61.98840	0.7
69.47590	1.9
74.02454	3.2
86.02478	1.6
94.48241	0.5
98.22617	1.1
99.05657	3.0
100.00436	0.7
101.07224	0.6
110.01962	2.7
121.02953	0.8
125.02428	1.6
126.01453	1.3
128.03549	10.3
135.05603	0.6
141.06659	0.6
143.04605	9.8
146.04576	1.2
148.05298	1.0
153.00139	2.4
153.06673	0.9
154.00940	11.4
154.85295	0.5
159.99553	0.6
160.00743	2.6
162.06795	1.1
167.03468	0.6
167.04733	0.6
177.02000	0.6
177.03378	1.2
179.04649	2.0
182.00426	6.8
185.05736	0.7
197.05676	1.1
210.08830	1.8
219.10278	0.6
223.04729	0.6
226.08371	0.6
249.05463	1.1
254.07811	4.4
272.08859	12.7
287.20135	7.2
288.06604	1.8
306.07635	26.6
315.19629	8.9
321.18896	4.4
333.20679	2.3
346.23874	2.2
349.18387	100.0
350.18686	4.5
358.23767	0.6
372.21664	1.0
514.20081	0.6
622.28003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30265	0.8
59.01358	1.4
61.98824	1.1
64.44568	0.7
65.00329	1.6
74.65331	0.8
82.20358	0.8
83.01414	1.1
98.21855	2.5
107.01401	1.4
108.02275	0.8
125.02418	2.7
128.90169	5.8
135.00824	1.0
137.02467	0.8
145.02914	0.9
151.00360	4.2
158.55904	0.8
167.03561	1.2
169.01434	1.0
171.04491	1.0
175.03972	0.8
176.04977	1.2
178.87674	0.7
186.77061	0.9
187.03952	1.2
191.03519	9.1
199.03963	4.4
200.04727	0.8
215.03513	1.2
226.02840	0.9
227.03522	3.8
242.02177	3.5
243.02968	24.8
244.03697	2.0
254.02158	1.1
255.02983	17.6
256.03461	0.9
257.04535	3.3
269.06772	1.5
270.01675	3.4
271.02466	43.3
272.03116	4.4
285.03992	5.5
286.04691	2.0
287.05508	2.4
299.01968	40.3
300.02722	41.2
301.03040	1.4
314.04327	27.5
314.08005	1.4
315.05090	100.0
316.05219	3.8
389.16040	3.1
461.10684	2.0
623.16150	94.6
624.16510	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	623.1976
Annotation	Farrerol 5,7-di-O-glucoside
Peak:m/z	Relative Intensity
50.21970	0.7
50.46066	0.8
55.01878	1.0
57.03432	3.1
58.00592	1.0
59.01378	25.2
67.01880	1.1
68.99796	2.4
69.03437	1.7
69.60011	2.3
71.01011	1.2
71.01383	18.9
72.99304	8.3
73.02942	2.6
75.00870	16.6
81.03465	0.9
83.01397	1.6
83.05039	0.8
85.02949	18.7
87.00874	8.7
89.02449	4.7
91.04031	1.2
93.03455	2.4
93.27065	0.7
95.01381	5.5
97.02936	0.7
99.00870	11.2
101.02390	1.1
103.00369	1.7
108.02195	1.5
109.02945	0.7
109.06595	1.3
111.00869	2.4
111.04484	0.8
113.02449	19.4
115.00359	2.5
117.01914	2.2
121.02952	7.2
123.04506	2.6
125.02432	1.3
129.01915	2.5
131.03456	0.8
135.04518	1.3
137.02478	1.6
145.02890	1.0
156.13995	0.7
157.01384	2.2
171.03012	0.9
175.02452	3.1
175.07645	1.0
177.05626	1.1
178.06261	0.8
190.99800	1.1
192.00671	1.7
193.01382	1.3
199.97334	0.7
207.02957	2.1
207.10271	3.6
209.08199	1.0
219.06647	0.9
225.05569	0.7
225.11302	2.2
231.05046	2.2
232.07622	0.9
237.05521	1.0
237.07567	3.9
239.07152	1.1
240.04320	0.8
241.08798	0.9
249.06108	19.6
251.07234	1.1
253.05107	1.4
253.08617	1.6
254.05887	1.2
255.06589	3.0
267.06805	9.7
268.07309	3.1
269.05487	1.3
269.08206	15.9
270.08960	1.0
281.08160	5.8
281.11218	1.1
282.08975	0.8
283.09778	7.9
284.10504	3.5
295.09750	3.7
296.10468	2.6
299.12811	2.2
307.06137	1.5
310.08463	1.5
311.09213	10.0
322.08249	1.7
323.09238	4.5
325.10800	1.3
328.09360	2.6
329.10355	2.1
337.10696	2.0
340.09402	13.6
341.10092	3.8
343.11807	21.7
355.11868	16.9
369.98904	0.7
397.13367	1.6
403.13867	1.8
415.14044	2.5
417.15573	1.3
429.15540	1.5
531.18445	1.3
561.15979	2.0
573.16058	1.6
575.17993	2.0
593.09302	1.6
593.18768	31.4
605.18762	15.7
623.19666	100.0
624.20001	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	623.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
57.67056	0.6
59.01380	5.7
61.98822	1.1
69.15470	0.9
69.15871	2.3
71.01374	1.7
72.52081	0.4
73.02946	1.4
82.95393	0.7
83.01406	0.5
85.02962	1.2
87.04507	1.2
88.98835	0.7
89.02452	0.6
92.16502	0.5
96.96046	0.6
97.06557	0.5
101.02434	1.6
109.02975	0.5
109.06580	0.6
113.02438	0.7
120.51891	0.5
123.08171	0.8
125.02433	1.5
135.08073	0.7
139.11307	0.8
141.12959	0.7
157.12341	1.3
161.02367	0.7
169.12288	0.8
171.13974	0.6
177.01932	0.6
185.11829	1.4
207.10281	1.0
215.12814	1.8
240.88187	0.5
327.21613	1.0
327.25308	0.7
329.23428	1.5
341.23737	0.5
357.26413	6.0
369.42322	0.5
373.25912	1.8
375.27490	100.0
376.27847	2.5
389.29135	1.9
417.28723	2.2
459.29361	0.5
519.31744	0.7
557.23059	0.5
579.33447	1.7
623.24628	0.8
623.33521	0.9
624.03369	0.7
647.59265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3429
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
51.00237	0.9
56.72517	0.8
57.03444	1.6
58.76462	0.8
59.01111	1.6
59.01378	20.6
61.98823	1.7
69.03420	1.5
69.27505	4.4
71.01382	14.2
71.16013	1.0
73.02943	5.0
83.01381	2.0
83.05021	2.8
85.02969	5.1
87.00867	6.8
89.02441	8.3
95.01399	1.9
97.06516	1.1
99.00905	1.1
101.02444	11.9
109.06578	2.6
111.08163	2.2
113.02458	6.5
116.92802	1.0
119.03537	1.3
125.02419	1.8
133.05061	1.3
137.09712	3.7
145.05084	3.7
161.04541	4.7
179.05611	1.5
203.14378	1.0
213.14832	1.2
235.08279	10.8
239.16461	1.9
265.18082	1.5
275.16583	2.1
296.79489	1.0
313.25195	1.2
315.26889	3.3
325.25461	6.8
341.24829	4.3
343.26331	6.2
351.23212	2.9
359.26010	9.3
361.27310	1.8
369.24390	12.8
377.26767	1.6
387.25397	50.9
388.25858	2.4
405.26453	34.1
406.26746	1.8
479.30310	3.0
595.34814	1.4
605.32843	1.7
623.34344	100.0
624.34637	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	623.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33709	0.9
75.72569	1.0
83.55151	0.9
95.01357	1.9
96.02166	2.8
106.73873	0.8
109.02974	1.7
110.03746	2.1
111.00818	1.0
123.00879	2.6
124.01675	7.5
125.02454	1.2
132.89938	0.8
137.02452	1.5
138.03223	7.0
152.01149	7.6
166.02715	6.9
180.04228	2.4
184.00070	0.9
198.01677	1.4
225.25122	1.1
248.88336	0.8
249.92204	0.8
252.65582	0.9
265.18042	7.7
279.19702	7.3
293.17590	100.0
294.17905	4.1
294.20700	1.0
307.19135	71.8
308.19525	4.1
366.56003	0.9
623.35327	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	624.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89206	0.1
59.01385	0.3
61.98829	100.0
67.69985	0.1
69.44291	0.5
70.15195	0.1
71.03677	0.1
75.00883	0.2
88.98800	0.2
98.21829	0.3
101.02468	0.2
108.29829	0.1
120.99657	0.2
125.02504	0.2
177.58333	0.1
191.30939	0.1
193.01537	0.2
193.05049	0.4
194.05421	0.3
208.07495	0.2
237.15057	0.2
268.09152	0.2
269.06665	0.2
270.07089	0.3
284.08966	0.5
285.09308	0.3
299.11356	0.4
300.11752	0.5
300.87085	0.1
399.20245	0.9
462.16812	0.8
608.70264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55082	0.2
59.01377	0.9
60.39981	0.2
61.98829	100.0
67.04053	0.2
67.99183	0.2
69.28767	0.9
71.01389	0.9
72.01173	0.2
76.50652	0.2
85.02956	0.2
101.02443	0.5
113.02489	0.4
125.02485	0.4
131.81053	0.2
149.49997	0.2
161.04553	0.2
166.04510	0.2
180.62057	0.2
185.17570	0.2
195.06981	0.2
418.24963	0.2
443.02719	0.2
450.31207	0.2
563.29883	0.3
564.29932	1.2
624.32611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.1
58.05642	3.5
59.30575	4.4
70.86890	5.2
81.03446	16.4
83.01397	5.7
95.05020	6.0
97.02965	6.1
99.04517	16.4
107.04993	3.8
109.02943	9.6
121.02995	3.9
123.00806	4.2
123.04529	6.3
125.02443	100.0
134.33208	3.9
137.02461	46.2
139.04042	7.3
149.02481	5.7
151.04004	11.5
157.06581	5.8
163.04054	4.3
164.01079	5.7
165.01917	14.5
166.93120	4.0
167.03508	81.2
173.06052	4.7
175.03934	7.5
177.01926	13.9
177.05476	5.1
179.03505	10.5
181.05098	5.9
185.05988	5.5
188.04681	4.6
189.05605	6.0
199.04106	6.1
201.05530	9.4
205.05063	17.3
211.04024	12.0
213.05565	6.5
215.03497	6.9
217.05025	7.1
219.06479	4.2
225.05536	5.5
227.03514	8.3
229.05096	16.5
229.22530	4.7
230.06177	3.8
233.04424	4.9
239.03473	12.8
241.05037	16.2
243.06512	5.6
244.03687	6.1
245.04530	10.0
251.03494	4.5
253.04929	5.3
257.04559	70.7
259.06082	5.3
269.04538	23.3
271.06024	7.7
281.04510	10.7
295.05975	4.4
299.05615	5.2
323.09088	4.7
343.04620	5.4
357.06555	6.1
379.08279	7.0
393.09634	4.9
395.07755	26.0
397.08984	5.8
407.07785	14.3
413.08853	9.7
419.07693	16.1
425.08575	12.6
437.08493	8.1
443.09726	11.9
455.09875	5.2
469.07623	6.5
545.10846	8.3
563.11670	10.4
581.12921	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	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06349	3.7
75.46978	1.4
77.17448	1.2
89.70006	1.4
90.28844	1.2
111.43845	1.3
111.45515	1.2
125.02462	3.4
131.86215	1.3
133.02954	2.3
144.07870	1.3
149.02335	1.6
151.04002	1.7
161.02394	3.4
162.03238	3.5
164.01164	4.6
165.01779	1.5
166.02757	4.8
177.01935	22.4
178.02689	2.6
179.03497	3.1
189.01955	1.7
190.02690	6.9
192.00638	75.6
193.01410	19.9
194.02209	17.2
205.01440	6.6
206.02208	6.5
207.02983	36.9
219.02896	3.0
221.00812	2.5
222.01617	6.7
234.01674	30.6
237.03987	4.3
249.04053	12.2
269.95618	1.3
297.00665	3.2
297.06046	8.9
312.04825	18.2
327.07190	100.0
328.07727	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	625.1408
Annotation	Sinocrassoside D2
Peak:m/z	Relative Intensity
59.01370	2.4
65.00304	1.3
68.30745	0.7
69.69769	1.4
71.01390	0.6
83.01366	0.8
85.02973	0.6
101.37782	0.6
107.01376	2.9
107.69415	0.6
109.02955	1.6
113.02371	0.7
121.02953	2.9
121.12961	0.6
125.02448	2.5
127.49908	0.6
137.02457	6.2
147.64848	0.6
151.00366	18.5
152.01273	0.7
159.04500	0.9
163.00311	1.0
164.01173	0.8
165.01926	3.5
169.01340	0.9
178.99855	14.9
187.03899	1.4
192.00642	2.6
193.01419	3.0
199.03995	1.5
201.01929	0.9
203.03499	4.9
204.17960	0.7
204.23715	0.7
209.11960	1.0
214.02684	1.3
215.03442	3.8
225.98950	0.8
227.03514	0.7
227.12991	0.8
231.02977	4.5
242.02226	2.4
243.02946	6.9
249.04059	0.9
259.02472	11.1
270.01691	2.0
271.02472	19.3
287.01974	23.7
288.02490	1.3
315.01462	44.8
316.02213	55.6
317.02988	46.6
329.02893	1.6
460.21362	0.7
463.08829	44.7
464.09097	0.8
478.07513	14.8
479.08237	14.4
570.24011	0.7
625.14069	100.0
626.14380	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	625.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69866	0.7
57.79505	0.8
59.01114	0.8
59.01378	5.8
60.99304	14.6
61.98845	4.2
71.01368	2.6
72.99310	6.3
73.02956	1.1
73.68799	0.7
85.02927	1.5
87.00837	1.2
88.98803	100.0
89.02438	31.1
89.33106	0.9
96.95964	0.9
101.02421	2.3
109.02983	1.8
113.02428	1.3
121.02914	1.5
125.02419	3.1
133.02936	1.3
137.02437	1.0
148.90985	0.9
149.02417	1.4
153.01906	3.5
169.01401	1.5
177.01927	14.7
192.00677	4.4
192.02132	0.8
193.01268	1.0
197.11841	2.2
207.02942	3.0
209.11827	1.1
417.11697	1.2
607.14380	1.6
625.23578	2.0
636.95270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
59.01379	21.5
69.03458	1.0
70.56608	0.4
71.01380	12.3
71.44119	0.5
72.99300	0.8
73.02938	2.0
80.02672	2.0
81.03448	2.2
83.01392	1.9
83.05026	6.8
84.02168	1.7
85.02954	3.5
87.00850	2.4
89.02443	14.1
95.01379	1.1
95.05014	0.8
97.02959	2.1
99.00883	0.6
101.02442	10.5
113.02445	6.8
119.03499	4.8
121.02977	0.5
125.02448	5.1
131.03490	0.7
135.08107	0.7
137.02469	1.2
139.03964	0.6
143.03494	2.4
149.04553	0.5
151.00362	1.1
161.04579	1.7
163.11296	4.8
165.12851	3.2
178.99806	0.8
179.05618	2.7
185.04567	0.5
191.10776	1.2
209.11823	100.0
210.10382	0.5
210.12103	2.4
221.06679	0.9
227.12894	18.3
235.08267	5.0
242.02232	0.6
253.09323	1.3
271.02411	1.9
287.01907	0.9
287.07813	0.7
297.53625	0.5
305.08716	1.3
316.02191	8.8
317.02905	3.2
323.09915	0.6
346.61856	0.5
397.13480	30.6
398.13815	1.0
415.14545	17.1
416.14569	0.7
463.02319	0.9
463.08792	9.3
464.09048	0.5
588.49957	0.5
625.13977	0.8
625.27954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
61.13109	0.1
66.64874	0.1
69.94343	0.3
95.01403	0.7
96.02165	2.6
98.22469	0.2
109.96954	0.1
111.00876	0.6
123.00876	1.4
124.01662	6.9
125.02440	0.1
127.00388	0.2
137.02490	0.1
138.03181	0.2
139.00436	0.2
140.04437	0.1
151.00342	0.3
152.01143	6.7
153.01985	0.3
157.87350	0.1
165.01900	0.7
166.02710	1.7
180.04219	0.2
184.00124	0.8
195.17538	0.3
221.48018	0.1
247.17004	0.3
265.18069	5.3
275.16461	0.2
293.17563	100.0
294.17877	2.8
302.73825	0.1
309.17123	0.7
321.20667	0.5
518.84827	0.1
625.30927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.1
57.82981	0.1
59.01363	0.3
61.28500	0.1
61.98829	100.0
71.01385	0.2
97.98942	0.1
98.22641	0.3
99.08167	0.6
111.44585	0.1
113.02456	0.1
116.92843	0.2
123.04518	1.4
124.40791	0.1
127.07650	1.0
129.05585	0.2
135.03687	0.1
153.04494	0.2
153.05553	0.8
171.06683	0.1
181.31137	0.1
285.09872	0.5
319.03574	0.1
457.17081	2.0
589.98071	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	626.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
61.98828	100.0
69.48059	1.0
71.01360	0.2
81.03407	0.2
91.01908	0.6
103.91875	0.2
106.10397	0.2
108.02164	1.0
109.02987	0.3
125.02460	0.6
135.00894	0.6
137.02431	0.3
152.01184	1.1
153.01949	0.4
153.41824	0.2
170.20589	0.2
193.12424	1.0
209.11917	0.4
221.11812	4.9
237.08902	0.5
237.11317	10.8
238.12036	0.8
239.13206	0.2
243.06593	6.2
319.56476	0.2
383.16867	0.3
400.17337	2.1
401.18222	0.8
405.11942	2.8
563.23474	7.8
564.23596	0.3
591.04944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31222	0.8
59.01418	0.7
61.98844	0.8
69.15488	4.9
71.01381	2.1
72.99303	1.6
83.27433	0.7
85.02948	0.8
93.03458	48.8
98.08026	0.7
106.55910	0.9
108.02166	1.7
109.02961	0.9
125.02424	1.4
131.54858	0.8
137.02444	100.0
138.02794	0.9
146.15408	0.9
153.01930	1.1
192.00612	3.0
199.02873	1.6
201.93300	0.8
225.04465	1.0
234.01604	1.0
243.05440	5.3
245.03360	1.0
245.07123	1.2
245.91891	0.8
299.04428	7.7
299.07678	16.3
327.07059	2.1
465.10431	1.0
489.07123	1.3
537.09229	1.8
627.12537	3.1
638.80695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.4
61.98823	6.5
68.81852	1.0
69.08475	4.8
69.08880	2.1
71.01369	2.4
72.99326	1.1
73.02921	1.1
73.39422	1.2
80.28592	0.9
83.01365	2.3
85.02962	1.8
93.02769	1.2
95.01398	1.4
96.95985	3.2
97.02945	1.1
101.02410	1.6
107.01370	1.9
108.02170	53.3
109.02966	14.5
111.00844	1.5
113.02451	1.6
121.02144	1.1
121.02941	2.6
122.03703	1.2
123.00887	5.6
123.04547	3.1
124.01634	2.0
125.02460	6.2
127.00348	2.1
131.12453	1.0
134.03696	1.0
135.04520	1.9
137.02438	2.1
138.03186	5.4
139.00356	1.8
141.32288	1.0
147.04523	2.2
150.03206	2.7
151.03995	1.3
152.01149	100.0
153.01968	5.1
153.05573	12.9
154.02719	1.0
162.03258	1.0
163.04030	2.4
165.05600	5.5
165.57237	1.0
167.03503	1.8
168.00641	3.0
169.01413	2.4
177.01915	2.6
177.05554	3.3
179.03371	1.4
182.02223	7.0
183.02969	9.8
190.06548	1.1
193.03299	2.0
194.05928	1.2
195.06581	7.9
197.04544	16.5
207.04793	1.5
209.08237	2.2
210.95424	1.0
212.26567	1.0
226.10924	1.0
244.43085	1.0
255.14915	2.8
307.87671	1.2
313.15472	2.5
325.15585	1.4
339.06351	1.0
347.09369	1.7
357.14355	1.7
375.15497	4.7
377.10577	2.0
429.10358	18.6
455.66452	1.1
537.20868	3.3
539.15973	2.5
627.15656	93.5
627.25299	3.7
628.16174	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	627.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44988	0.5
59.01363	0.8
71.43951	0.7
83.65674	0.7
89.02460	1.2
93.03430	0.7
101.02416	0.8
108.02166	51.0
109.02960	9.6
121.02960	0.8
121.65969	0.6
125.02412	3.3
133.01396	0.7
151.04033	1.9
152.01141	45.5
153.01939	26.7
165.01921	1.4
167.03462	0.8
169.01410	1.6
177.01920	1.6
202.16396	0.7
217.70786	0.8
285.06155	100.0
286.06570	2.5
341.11047	1.2
375.86499	0.7
417.10522	0.8
456.19049	0.7
498.74112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73946	1.0
59.01390	5.1
61.98833	6.2
66.84885	1.2
71.01395	1.4
71.44538	1.1
71.54683	1.1
85.02971	1.5
88.98801	1.2
91.01903	8.3
96.96005	5.7
108.02169	17.0
109.02969	5.1
116.30029	1.0
121.02946	1.4
123.00883	3.5
123.04494	1.3
125.02470	5.7
135.00905	12.9
137.02446	3.3
148.76683	1.2
149.02431	1.9
150.03177	1.9
152.01163	17.3
153.01944	5.4
161.02457	1.8
163.58485	1.0
165.05536	2.8
169.01413	1.3
174.84853	1.0
180.89449	0.9
197.06137	1.9
213.05742	0.9
243.06610	100.0
244.06953	2.0
250.75755	1.1
297.06091	3.2
335.38214	1.1
405.11884	55.7
406.12289	2.0
627.21454	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	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.98828	2.2
71.01398	1.1
78.61617	1.2
85.24891	1.5
95.20654	1.2
130.38287	1.1
135.51781	1.1
182.04021	1.2
187.09668	1.0
395.21912	1.6
438.13541	1.7
452.14960	3.6
480.14435	1.5
481.15018	8.6
482.15564	1.7
495.16858	15.2
508.17380	1.9
521.13849	1.9
535.16205	2.3
536.16595	3.3
540.15845	2.5
546.47705	1.4
551.19379	38.8
552.19281	4.4
554.17975	2.0
595.18469	8.2
627.20911	100.0
628.21112	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	627.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.3
59.01377	32.2
61.98808	2.6
69.10529	0.7
69.31058	3.1
71.01385	10.8
72.99307	3.2
73.02943	2.8
73.25986	0.7
74.60815	0.7
74.80090	0.6
75.00871	8.0
78.95879	0.9
80.96493	0.6
84.65742	0.6
85.02943	10.3
87.00865	5.2
89.02429	2.4
92.54114	0.6
93.03454	6.3
95.01379	2.2
96.95997	1.4
98.26229	0.7
99.00886	8.3
103.00332	0.8
110.00422	0.6
111.00864	1.3
113.02459	9.7
115.00314	1.7
117.01940	1.6
121.02948	0.8
123.56551	0.6
125.02449	1.2
129.01932	0.9
135.04510	1.0
137.02444	12.3
139.11292	8.1
145.02921	0.7
151.04005	10.2
157.01399	0.8
163.11252	1.0
175.02467	1.1
181.12297	3.7
183.10240	6.6
193.03566	0.9
199.13416	1.0
209.58298	0.7
225.11319	2.9
243.12320	3.1
299.14893	0.7
319.07547	0.8
333.08350	0.7
361.16571	1.5
383.09558	1.0
451.19693	3.0
457.16931	0.7
465.17606	1.2
475.18329	1.4
565.22614	1.9
567.20837	3.7
609.21686	4.6
627.22803	100.0
628.23303	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	627.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
59.01378	100.0
64.05253	1.7
69.95834	4.0
69.96166	2.4
71.01379	40.6
74.23457	1.8
83.01395	2.0
85.02963	8.4
87.00868	3.1
89.02444	58.1
90.41485	1.5
94.08379	2.0
95.01386	2.5
101.02443	20.7
113.02431	15.9
116.55109	1.6
119.03506	23.0
131.03503	3.0
140.78558	1.7
143.03496	6.2
149.04532	2.5
161.04547	7.3
179.05609	37.6
196.66255	2.2
238.11914	2.0
246.78769	1.9
325.08978	2.0
405.21201	4.6
567.26624	23.6
627.22717	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	627.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
95.02292	2.9
95.77235	3.2
111.00874	5.9
139.00357	39.7
154.84500	3.5
166.99840	4.5
181.01421	3.5
196.64865	3.4
223.32027	3.1
354.63254	4.1
396.70267	3.1
401.06128	4.1
495.20987	3.4
513.73804	3.7
531.25800	5.0
546.28333	14.6
561.30518	30.8
576.32996	33.6
586.85559	4.0
591.35339	100.0
592.35614	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	627.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35635	6.5
90.61878	1.3
94.57287	1.1
95.01395	1.5
96.02161	3.2
96.96011	2.3
108.35973	1.2
114.18362	1.2
123.00874	3.0
124.01620	5.8
152.01163	7.1
165.01904	1.4
188.79280	1.2
234.90256	1.1
265.18021	4.9
293.17584	100.0
294.17859	4.1
333.20715	1.3
422.88275	1.3
457.61670	1.2
499.14114	1.3
622.06866	1.2
649.69781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86777	0.6
61.01940	0.7
61.98827	100.0
73.42432	0.7
75.15089	0.7
94.62053	0.7
103.43546	0.6
107.67149	0.7
116.58189	0.6
125.02450	4.2
126.02847	0.8
137.02444	2.3
138.03281	1.3
138.74217	0.7
149.06099	1.0
159.42201	0.7
163.04045	0.8
167.03531	1.1
175.04112	0.9
177.05582	7.5
179.07120	18.2
195.06523	1.6
201.05931	0.8
220.59305	0.7
223.06091	16.3
224.06610	0.8
239.05589	35.5
240.06281	3.3
242.56424	0.6
253.07384	0.8
262.94089	1.1
288.60611	0.9
402.11563	5.2
403.12476	1.2
475.34363	0.7
565.17676	41.3
566.18329	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	629.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
108.02172	1.2
109.02973	0.8
124.01664	1.4
125.02452	5.4
136.01732	0.9
137.02466	2.7
138.03238	1.3
149.02472	1.9
151.03969	1.9
152.01154	1.6
153.01859	0.9
156.82727	0.8
161.02449	3.3
162.03210	2.4
164.01117	4.3
165.01848	0.9
166.02713	4.6
167.03487	2.0
177.01958	7.4
178.02710	1.6
178.99821	1.7
189.01953	1.1
190.02661	6.1
192.00639	58.2
193.01404	21.8
193.04959	0.9
194.02185	15.5
205.01358	5.2
206.02252	5.3
207.02983	27.2
209.04634	1.9
219.02960	1.2
221.00916	2.6
222.01683	6.5
234.01668	22.4
237.04042	3.6
246.18214	1.0
249.04005	11.9
297.06131	2.1
305.06577	1.0
312.04843	19.9
315.07535	1.3
327.07193	100.0
328.07660	2.3
342.58539	0.9
469.88834	1.0
527.82544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43833	0.4
55.01876	0.8
57.03447	0.7
59.01375	100.0
69.03489	0.4
69.13970	3.1
71.01376	8.4
73.02937	3.2
83.01397	1.8
85.02934	4.1
87.00886	1.7
89.02421	0.8
93.03458	1.5
98.22579	1.2
99.00890	1.1
101.02431	7.2
113.02450	3.2
115.00391	3.3
115.30215	0.4
120.09370	0.4
123.56933	0.5
125.02477	0.6
132.49698	0.5
137.02440	2.4
143.03554	0.6
151.07686	0.5
158.30565	0.5
159.03053	1.1
161.04546	3.9
175.02458	5.9
177.05498	0.7
211.09879	0.6
269.10263	11.3
274.72440	0.6
311.11374	8.5
324.83032	0.5
379.10724	0.7
432.62650	0.7
446.67606	0.5
541.16382	1.0
629.18494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03443	1.7
58.00575	0.4
59.01379	36.6
61.98820	0.7
67.01936	0.5
68.99804	1.0
69.03468	0.5
71.01381	21.7
71.43815	0.6
72.99303	4.4
73.02937	1.4
75.00474	0.5
75.00875	7.0
83.01376	1.4
83.05009	1.1
85.02950	10.3
87.00871	2.9
88.83711	0.4
89.02444	14.0
95.01380	3.4
99.00872	7.5
99.57076	0.4
101.02448	8.8
103.00373	0.9
108.43590	0.4
111.00870	0.9
113.02451	12.2
115.00372	1.5
116.92922	0.4
117.01907	0.9
119.03512	3.5
125.02424	1.1
129.01907	0.7
130.31892	0.4
131.03534	0.6
132.09596	0.4
137.09720	2.9
155.10779	11.9
157.01387	1.1
167.03445	0.4
169.01466	0.8
175.02452	1.1
181.08704	0.9
193.05132	0.6
199.09756	14.4
213.11299	0.9
217.10828	1.9
249.06187	4.2
251.05724	0.4
267.07242	1.5
269.06735	0.8
328.80743	0.4
379.16235	1.1
431.11594	0.9
449.16714	1.5
453.19574	1.3
467.17468	0.7
611.21680	1.0
629.22955	100.0
630.23407	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	629.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.7
61.98807	1.2
62.56742	1.0
71.01361	5.1
75.00864	5.7
85.02938	1.4
89.02441	5.6
93.03490	1.5
95.01408	1.1
101.02418	4.4
113.02431	1.9
119.03491	1.8
121.02950	2.1
122.03748	1.9
123.00851	2.5
124.01658	2.7
125.02442	2.6
127.00401	1.1
136.01665	7.5
137.02414	2.9
146.07338	1.6
149.02423	1.2
150.03198	4.5
151.00331	4.6
152.01122	2.6
154.99754	1.1
160.84207	2.1
164.01093	3.3
164.04768	2.4
165.01863	2.1
166.02687	2.2
189.82536	1.1
192.04124	1.5
195.17500	1.7
198.14398	1.1
201.37601	1.2
219.17525	3.3
231.17499	3.8
233.19072	2.2
251.16212	1.1
261.18588	4.9
265.17950	3.7
275.16348	1.4
277.18027	16.5
287.20038	1.9
292.16672	1.7
293.17554	29.5
294.18018	1.7
297.08258	4.1
303.15915	1.3
305.17590	28.9
305.75815	1.2
307.19128	3.2
317.17548	2.4
319.15594	2.5
319.19110	1.7
321.16998	8.5
323.18494	1.8
331.15326	1.4
331.19083	2.2
333.17056	24.3
333.20554	1.8
334.17413	1.2
335.18634	3.4
344.85657	1.1
349.16479	8.9
351.18140	2.2
359.18616	2.9
361.16354	1.6
363.18109	5.0
377.19635	2.3
405.18985	6.3
407.17093	1.6
585.25464	9.6
629.24542	100.0
630.24963	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	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
58.20062	0.5
59.01389	0.8
68.99808	0.5
69.84598	1.6
69.84952	1.1
81.03455	1.7
83.01389	0.9
95.01404	1.8
95.05025	0.8
96.02178	3.2
96.42314	0.6
97.02946	1.1
99.04520	1.7
106.34557	0.6
107.01402	0.9
109.02933	1.4
111.00893	1.2
119.05090	0.5
122.17319	0.5
123.00857	3.8
124.01654	9.2
125.02448	11.6
133.02954	1.2
135.00844	3.2
137.02428	3.5
137.06065	0.8
139.81789	0.6
146.33907	0.6
147.04526	1.2
151.00378	2.4
151.04079	0.6
152.01151	8.9
157.06615	0.8
161.06198	0.7
163.00406	0.8
165.01952	3.7
166.02710	2.6
167.03477	16.5
168.03798	0.8
171.04514	1.0
172.05293	0.9
174.03270	1.1
175.04044	0.8
185.06094	1.4
187.04045	0.8
188.04857	1.1
189.01921	0.7
189.05539	1.0
195.17618	0.6
198.03314	0.7
199.03996	1.7
201.05611	0.8
202.99246	0.6
203.03561	0.8
213.05566	1.2
214.02817	0.9
215.03484	0.8
219.17560	1.9
226.02722	1.3
229.05078	2.0
230.02057	0.6
240.04211	0.7
241.05014	1.8
242.02180	1.0
249.18611	1.8
257.04526	2.8
263.09100	1.0
265.18103	11.2
266.02151	0.8
276.12170	0.6
277.18137	0.7
285.04028	0.9
293.17575	86.1
294.18179	4.1
295.19077	1.6
301.03568	1.2
317.06573	1.5
321.16986	1.8
329.21216	0.8
343.22693	0.9
355.19022	2.0
357.20602	2.7
369.20804	0.8
371.22650	1.1
383.18747	3.3
384.19339	0.6
385.20261	0.8
387.21698	0.9
389.23276	0.8
397.19989	0.8
409.20419	0.6
409.55054	0.7
411.18134	4.6
413.19528	2.8
415.21271	6.3
425.19791	0.8
435.18338	0.8
441.19296	1.2
443.20776	14.3
443.26675	0.6
445.22855	0.7
445.39154	0.6
455.20709	0.9
461.22122	1.3
561.20874	1.1
593.23535	1.6
597.23126	0.9
611.24719	1.7
627.10364	0.7
629.25989	100.0
630.26477	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	629.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87204	0.6
57.03436	1.0
59.72691	0.6
60.60832	0.5
65.00307	1.3
65.38526	0.6
67.01903	0.6
68.99799	0.7
69.03452	0.6
70.73264	0.6
71.06521	0.7
82.10919	0.5
83.01385	1.2
91.01875	1.3
93.03461	0.6
95.01381	1.7
96.02180	1.6
97.02946	2.0
107.01328	1.5
108.02197	0.9
109.02956	3.9
111.00872	1.2
119.05012	0.7
121.02959	1.7
123.00880	3.1
124.01676	3.8
125.02444	7.5
135.00890	2.9
137.02446	12.9
138.03270	1.2
139.04007	1.6
140.01118	1.3
141.01691	0.6
143.04997	0.8
147.00909	0.7
147.04492	1.1
149.02417	1.4
150.03194	1.0
151.00327	1.1
152.01204	3.2
153.01892	2.4
157.06618	1.0
158.10880	0.6
159.04500	1.7
160.01558	0.6
161.06052	1.0
163.00375	10.9
163.03931	1.0
164.80548	0.6
165.01918	8.7
166.02702	1.4
167.03513	10.7
171.04486	0.7
173.02484	1.1
175.00282	1.0
175.03880	0.8
177.01921	1.2
177.05606	0.7
179.03426	0.6
185.06093	1.0
187.03949	2.5
189.01836	0.7
189.05527	1.4
191.03496	1.3
192.00618	1.9
195.02939	1.2
199.04037	1.0
201.05568	2.6
202.02736	0.6
203.03476	1.6
205.05042	2.7
211.04025	1.3
214.02614	1.2
215.03430	3.8
217.04971	1.3
224.41643	0.6
227.03506	1.7
229.05048	8.7
231.02957	1.4
231.17513	0.9
233.04483	1.7
245.04602	1.6
249.18678	3.6
255.02983	2.3
257.04553	4.1
258.01645	0.8
265.18076	6.0
273.03998	3.8
277.18045	5.2
278.18738	0.8
283.02451	1.6
293.17584	40.6
294.18323	15.5
295.19113	14.8
301.03528	15.4
315.05109	3.2
321.17145	2.9
333.06119	11.2
357.20621	0.9
411.02451	0.6
411.18146	0.6
415.21494	0.8
443.20752	1.0
598.72888	0.6
613.00885	0.8
629.25977	100.0
630.26306	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26326	0.7
57.03439	2.8
65.00314	2.9
70.50349	1.2
78.09374	0.7
81.03456	1.6
83.01385	1.3
95.01361	1.6
96.02184	3.8
97.02908	2.3
99.04499	1.0
107.01355	2.3
109.02961	1.7
111.00871	1.4
121.06651	0.8
121.64495	0.7
123.00893	3.6
124.01649	9.5
125.02440	13.5
133.02887	1.0
135.00864	8.0
137.02435	3.2
139.04012	1.5
146.03760	1.0
147.04480	2.2
149.02399	0.9
151.00368	1.8
152.01157	8.2
159.04550	1.0
161.61446	0.7
165.01903	3.3
166.02695	2.9
167.03493	30.5
171.04501	2.1
173.02466	1.0
174.03201	1.0
175.04027	1.2
185.06071	1.6
188.04773	1.2
189.05554	2.3
195.17570	0.8
199.03940	3.5
203.03583	0.8
213.05537	2.5
214.02719	1.4
215.03481	1.8
216.04080	0.8
217.05011	2.1
219.17482	1.4
221.19098	0.9
226.02740	2.4
229.04976	1.1
231.06618	1.1
241.05095	4.1
241.07312	0.8
242.02206	1.4
243.02959	1.1
249.18588	1.1
257.04498	3.3
259.06033	1.4
263.09207	1.1
265.18079	10.5
274.04785	0.9
285.04083	3.3
293.17575	100.0
294.17923	4.6
317.06583	3.4
319.15375	0.9
321.16946	1.5
343.22919	1.4
344.19730	0.9
345.17035	1.4
355.19077	1.8
357.20694	2.7
380.32217	1.0
381.20590	1.2
381.42313	0.9
383.18405	5.1
385.20325	2.0
387.21719	1.3
411.17950	5.8
413.19809	3.6
415.21298	11.2
416.21387	1.1
441.18900	1.5
443.20737	26.2
444.20993	1.8
455.21075	1.1
531.43579	0.9
553.24017	1.1
558.73083	0.8
561.21429	1.3
579.22430	1.3
593.23749	1.8
597.23242	2.9
611.25330	4.4
629.25995	85.1
630.26318	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	629.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.9
59.01376	9.1
61.21595	0.6
61.98818	2.4
63.91887	0.6
71.01367	1.9
71.67062	0.7
73.02927	1.2
73.75652	0.8
76.86050	0.6
81.03469	1.5
83.01376	2.0
85.02970	0.8
88.98792	0.8
89.02398	0.9
93.03399	0.9
95.05014	2.3
96.95991	2.4
99.04556	0.7
105.03452	2.8
108.02102	0.7
109.02921	2.1
111.08160	1.4
120.05780	1.0
121.02911	1.3
121.15199	0.7
124.01612	0.6
125.02443	100.0
126.02780	1.0
130.85680	0.6
135.08174	7.0
137.02446	3.1
137.09709	0.8
139.11319	5.3
149.02377	1.9
151.03981	0.8
151.11301	0.7
153.01930	1.1
161.02438	28.2
162.03098	0.8
169.01410	0.8
175.04005	1.6
177.05594	3.9
179.07129	18.4
181.12364	4.3
183.10278	7.3
191.07144	1.2
199.04054	0.7
199.13405	2.5
201.05589	1.9
201.11281	1.2
203.03551	0.8
203.07155	1.0
209.11769	1.6
215.03368	1.0
223.09747	22.1
225.05714	1.1
225.11346	2.1
227.03490	1.5
235.09726	2.3
243.12357	74.9
244.12730	1.2
269.04639	2.3
287.05621	2.6
305.06635	0.8
341.10190	1.5
365.15967	0.9
367.11917	6.2
385.12927	28.9
393.15414	1.3
446.47913	0.8
475.29285	2.2
623.77979	0.7
629.25122	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	629.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.6
61.98831	2.9
69.24490	7.7
75.63751	1.5
86.84509	1.7
88.42702	1.4
95.05060	2.1
96.95998	2.7
97.27673	1.6
98.48531	1.8
110.06104	7.8
111.33018	1.7
119.93625	1.5
120.08149	2.1
121.05318	5.2
122.06111	25.1
130.06627	2.3
134.06143	5.4
141.78508	2.2
144.04558	2.0
160.06409	9.2
161.04875	3.9
173.04715	1.7
174.05576	7.2
203.05774	2.8
203.11896	1.9
213.10312	39.5
215.11893	2.7
225.10213	2.7
226.11115	2.9
239.11862	19.8
241.13466	21.8
251.11960	3.5
271.10779	3.1
283.10876	3.4
285.12436	100.0
286.12643	5.3
291.11429	2.2
293.12881	7.2
301.11969	5.1
311.10446	3.8
328.10800	4.5
328.14651	2.6
330.16110	2.0
335.64609	1.7
343.13037	7.5
344.17520	2.4
345.18356	2.4
351.02435	1.7
354.16214	3.9
356.14020	8.8
357.14792	2.9
358.15918	2.1
360.71219	1.7
370.15503	19.4
371.16183	8.0
372.16980	6.3
384.13110	2.6
398.15009	15.1
403.15048	5.0
412.16843	10.7
413.17172	6.5
416.16129	2.3
481.22760	1.9
485.25598	3.6
493.22018	5.4
511.23611	13.5
523.22931	3.7
535.23352	23.8
553.24573	63.7
554.24658	5.0
556.23401	3.1
579.22473	8.8
585.27112	2.6
596.42047	2.4
597.23499	83.5
598.23950	5.2
611.25006	3.2
629.16315	1.8
629.26099	39.4
630.26263	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65644	1.0
57.03430	1.4
59.01379	2.7
69.44861	1.6
69.45258	3.3
71.01382	1.3
73.92135	0.9
75.00903	1.2
75.33450	1.0
77.29939	1.0
81.71402	0.9
83.01392	1.4
84.93985	1.0
93.03458	1.1
95.01363	1.5
96.02187	2.7
97.02962	1.4
98.22640	2.0
108.02120	1.3
109.01012	0.9
109.02946	1.8
121.02933	1.5
122.03754	1.1
123.00874	4.4
124.01653	8.4
125.02460	10.4
133.02895	1.0
135.00906	2.1
137.02420	5.8
147.04581	1.4
151.00334	3.0
152.01141	8.4
153.01900	0.9
157.06639	1.0
163.00345	1.8
163.31673	1.0
165.01886	3.1
166.02675	2.1
167.03484	14.1
175.04022	1.2
182.73032	1.0
184.00195	1.7
187.03984	1.4
199.03932	1.4
213.05727	1.0
214.02892	1.0
215.03445	1.3
219.17438	1.7
229.05115	2.9
231.06631	1.1
242.01984	1.3
249.18748	1.2
257.04477	2.6
261.18555	1.9
265.18033	10.4
277.18018	4.0
291.16010	1.1
293.17578	76.6
294.18127	3.6
295.19086	3.0
301.03522	2.7
305.17517	4.4
319.15805	1.1
321.17093	2.5
333.17056	3.4
337.11884	1.2
343.19293	1.1
348.15894	1.2
349.16315	2.1
355.19034	1.4
357.20663	2.0
359.18707	1.4
383.18625	3.7
411.18170	2.7
413.19531	1.7
415.21201	7.6
441.19394	1.2
443.20782	13.5
449.18097	2.2
455.20407	1.3
544.02771	1.3
585.25409	1.2
611.25037	3.1
629.25836	100.0
630.26343	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	629.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41231	0.8
55.66816	0.9
57.03452	5.8
59.01367	3.9
61.98826	1.2
71.01373	2.6
73.02943	6.0
79.05502	1.4
81.03453	9.0
83.05025	3.7
84.49135	1.0
93.03456	1.2
95.04997	2.5
96.95460	1.0
96.95995	5.8
97.06587	1.4
98.21790	1.9
99.04522	1.0
101.02460	1.2
101.79372	1.0
107.08666	0.9
109.02926	1.5
109.06610	1.6
113.02430	0.9
116.92865	1.3
121.02968	1.2
122.03726	2.1
123.04517	30.4
123.05363	2.0
123.08125	1.1
124.01647	1.3
125.02438	10.9
125.09682	1.4
135.04512	3.5
137.02451	3.7
149.02495	1.6
150.03197	1.9
151.03987	2.2
151.07674	2.6
161.02437	1.5
163.07646	2.8
164.89983	1.2
165.01895	1.4
165.05539	3.1
167.03465	4.7
168.03612	1.0
169.01511	1.1
169.12294	1.1
177.01894	5.8
179.07097	2.4
183.02969	1.2
193.08769	1.0
195.06625	2.4
207.10219	1.3
223.13330	1.4
238.86641	1.0
251.12904	2.3
281.13943	1.3
327.12119	1.1
343.22800	2.1
361.23819	13.8
365.07657	1.1
377.23331	3.7
379.24866	38.3
380.25204	1.6
405.22720	12.7
423.23892	21.5
424.23871	1.2
449.21628	8.1
465.24698	1.0
489.02789	1.0
567.27557	2.7
585.29059	1.6
611.27112	10.5
629.28143	100.0
630.28644	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	631.094
Annotation	Myricetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
53.75030	0.5
57.03451	0.6
59.01385	2.8
67.01874	0.9
67.65156	0.5
69.03470	0.7
69.62870	1.9
71.01379	0.8
73.02952	0.6
79.01871	0.6
81.03432	1.7
83.01375	0.6
87.00912	0.7
89.23713	0.5
93.03456	0.8
95.01379	1.5
96.96024	1.1
96.96609	0.5
97.02950	1.8
107.01384	3.8
107.05022	0.6
109.02959	1.0
111.00881	0.9
113.38768	0.6
121.02946	1.3
123.00874	3.8
123.04535	1.2
124.01672	7.7
125.02444	47.8
133.02910	0.5
135.04510	1.6
137.02434	2.3
138.03201	0.9
139.00374	1.5
139.03969	1.5
140.01146	1.3
145.02925	1.8
147.04497	0.9
149.02408	2.3
150.03166	0.8
151.00351	0.9
151.03967	0.8
152.01099	1.1
153.01965	0.8
161.02435	4.9
162.03233	3.0
163.04012	1.8
164.01129	1.2
165.01933	5.0
166.02724	0.7
166.99854	1.6
167.03505	1.4
168.00632	6.7
169.01422	36.3
170.01695	0.8
173.02315	1.1
177.01941	3.0
178.99817	0.6
179.03404	1.0
181.01352	0.8
183.02942	1.6
187.04065	0.8
189.01907	1.8
190.02699	5.9
191.03522	2.9
192.00638	12.4
193.01410	18.9
194.02141	1.1
203.03627	0.6
203.65518	0.5
205.01416	3.8
206.02150	4.4
207.02980	18.0
211.02470	12.8
214.60553	0.5
217.05057	0.6
221.00876	0.9
221.04677	0.6
222.01672	0.6
229.10159	0.5
233.00867	1.7
233.04448	0.6
233.99342	0.7
234.01682	13.8
235.02460	12.9
236.55167	0.6
242.10565	0.6
246.01579	0.9
247.02467	1.3
249.04036	5.4
257.12909	2.9
276.02664	0.7
277.03580	1.4
279.05209	0.7
285.04178	1.0
294.03876	1.6
295.04596	1.2
301.11838	3.7
309.06247	1.3
312.04886	1.4
327.07254	0.9
451.61072	0.6
461.07233	1.8
465.06866	1.0
479.08118	3.7
553.33618	0.5
631.09357	100.0
632.09814	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	631.2027
Annotation	Cypellogin C
Peak:m/z	Relative Intensity
57.03452	15.1
58.85544	1.2
59.01368	4.4
61.98820	3.2
64.13364	1.3
65.00317	1.8
70.98893	1.8
71.01379	4.1
81.03479	1.3
83.01379	5.0
85.02982	2.2
93.03463	1.6
95.01363	2.3
96.02209	1.4
96.95998	2.2
101.02454	3.0
107.01386	3.3
108.02161	1.4
109.02936	4.1
111.00850	2.9
113.02392	1.4
121.02939	3.7
123.00846	1.6
123.04459	3.2
124.01656	8.8
125.02444	100.0
126.02779	1.7
137.02423	4.1
147.04506	1.7
149.02425	4.5
150.03143	2.8
151.00357	11.3
151.03999	5.0
152.01160	17.6
153.01944	5.9
161.02422	2.5
163.00330	2.1
169.01340	1.9
172.05341	1.8
175.04021	5.4
176.01199	2.4
177.01917	5.8
178.99850	6.7
188.04706	2.0
189.05626	5.7
192.00620	1.4
193.05022	3.7
199.04031	2.6
209.04272	1.2
213.05434	1.4
217.05090	12.4
226.12914	3.1
231.06740	1.5
241.05011	2.0
249.15202	1.8
259.06052	13.3
265.14404	4.4
267.03180	1.2
274.04724	1.8
275.05609	5.4
284.03320	1.9
285.04037	26.8
303.05182	7.6
388.18024	1.9
437.11169	1.3
587.20990	1.9
603.20734	11.8
613.19562	7.7
631.20313	81.0
632.20697	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	631.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21691	0.6
59.01379	6.2
61.98829	41.2
63.91682	0.7
67.01879	0.7
68.25129	0.6
69.07575	1.3
69.07986	2.8
71.01375	1.7
82.95413	1.6
95.04982	1.1
96.95997	1.3
100.60313	0.7
103.93107	0.6
110.06103	2.4
116.92870	2.2
120.04550	2.0
121.05345	1.9
122.06110	8.9
123.04481	1.6
124.01670	1.0
125.02428	3.9
130.43965	0.7
134.06117	1.5
135.06859	0.8
136.07680	8.8
137.02448	1.9
149.02435	1.7
150.03232	3.8
151.00371	1.0
151.03909	0.7
152.01120	1.4
161.07201	0.8
165.01973	3.6
165.03247	0.6
165.05573	4.6
166.02646	2.1
167.03462	3.4
168.57248	0.7
169.01527	1.6
171.11778	1.4
180.04317	1.5
181.05054	3.9
187.09702	0.9
189.04326	7.0
192.00728	1.1
195.06613	5.2
198.09206	1.7
199.09993	1.1
209.04518	1.6
214.12364	9.8
224.01993	1.0
225.07631	2.8
226.07582	0.8
227.08255	2.2
228.08966	0.9
229.09822	4.3
230.11920	3.7
241.09824	5.6
242.10609	15.0
255.11588	1.1
257.12961	72.1
258.13275	1.9
263.16531	0.9
264.59109	0.6
267.11475	1.2
285.12436	1.2
300.11169	0.9
301.11923	100.0
302.12286	3.3
307.15558	1.5
311.10315	0.9
329.07867	1.1
329.11426	10.0
363.10904	3.5
365.23639	0.7
410.19327	0.7
469.20871	1.2
553.21234	0.7
568.24951	3.7
569.23688	1.1
587.25024	4.6
631.25720	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	631.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
60.40806	0.5
69.30390	2.1
95.05034	1.4
96.96004	1.2
104.24507	0.5
110.06129	2.5
116.92913	0.6
118.69948	0.5
120.04546	2.1
121.05326	2.1
122.06115	7.6
125.02397	1.4
134.06088	2.7
135.06935	1.0
136.07678	10.9
144.04523	1.5
145.05336	0.6
152.71440	0.5
162.05634	0.6
169.01361	0.7
171.11761	1.8
185.08368	0.5
186.09212	0.7
188.03494	0.8
189.04300	27.8
198.09250	1.7
199.10092	1.4
214.12376	10.5
226.07509	0.6
227.08282	1.8
228.09048	1.5
229.09811	5.1
230.11839	3.6
241.09813	7.0
242.10588	15.1
243.11046	0.8
255.11502	0.8
256.12143	1.0
257.12943	73.8
258.13190	2.9
267.11319	0.7
285.12320	0.6
301.11914	100.0
302.12323	3.1
311.10394	4.5
329.11417	43.0
330.11530	1.6
445.96933	0.5
515.22675	0.7
562.92181	0.6
569.24786	0.5
587.25250	4.6
631.23706	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	631.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
61.98827	0.8
69.20629	3.6
69.38757	0.5
71.01378	0.6
72.99300	0.5
95.05045	1.0
106.31626	0.5
110.06120	1.9
111.76956	0.5
116.92849	0.8
120.04537	1.5
121.05338	2.4
122.06127	6.6
125.02425	2.1
134.06137	2.5
134.96384	0.6
135.06874	1.1
136.07686	8.8
144.04547	1.2
145.05313	0.9
146.06081	0.7
161.02420	0.8
161.05875	0.6
161.07193	1.0
162.05571	0.5
171.11809	2.5
176.67871	0.6
188.03575	1.0
189.04305	32.5
190.04871	0.9
192.00731	1.2
198.09216	1.4
199.09993	1.9
214.07491	0.8
214.12373	9.1
227.08249	2.0
228.09056	0.9
229.09822	5.5
230.11865	3.2
234.01663	0.6
241.09805	6.0
242.10594	14.3
255.11307	1.7
256.12134	1.0
257.12946	72.9
258.13324	2.2
267.11453	0.7
283.11008	0.7
285.04074	1.7
285.12564	1.0
301.11929	100.0
302.12302	2.5
303.05066	2.0
311.10318	4.6
329.11414	49.4
330.11572	1.3
368.14822	0.6
499.44452	0.7
515.22815	1.1
569.23627	0.7
587.25214	4.0
631.26202	2.8
655.51160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.1
61.98822	0.5
62.33255	0.3
64.61746	0.2
69.24284	0.7
69.24686	1.0
69.79339	0.2
73.02953	1.9
75.00867	8.7
79.10112	0.2
81.57274	0.2
89.02424	0.4
97.13122	0.3
99.00875	3.9
99.92587	10.4
100.92590	0.3
116.92860	100.0
116.97254	8.7
117.01937	8.2
117.05564	1.1
117.92854	2.3
123.49503	0.3
277.21771	0.5
277.82962	0.3
340.33542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
60.43052	0.3
61.98820	0.6
69.62828	1.1
70.18371	0.2
73.02938	1.5
75.00874	3.2
84.51363	0.2
93.59644	0.3
97.44870	0.2
99.00886	2.1
99.92579	12.3
104.52029	0.3
114.93421	0.5
116.92861	100.0
116.97249	8.2
117.01943	4.3
117.05554	0.4
117.92866	2.2
128.64249	0.3
166.44310	0.3
189.22345	0.3
602.47021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78419	1.7
59.01374	5.4
61.98824	5.1
69.46223	4.1
69.46620	3.9
95.05018	2.7
96.96018	3.1
107.01411	3.4
107.03782	4.9
110.05487	2.0
110.06079	11.1
120.08183	50.7
121.05350	4.6
122.06117	84.0
125.02421	2.6
134.06125	4.0
136.07648	3.0
144.04555	8.8
151.00366	17.7
151.03999	18.0
162.05568	2.9
164.01151	4.5
164.07152	3.5
173.04787	3.2
174.05591	9.8
177.02020	2.8
190.02759	2.4
191.95142	2.0
192.00644	78.8
193.01360	7.5
194.02328	4.0
203.05934	6.0
206.02226	3.5
207.02971	56.3
223.08838	3.2
225.13968	2.5
234.01707	9.1
236.09515	11.6
237.10394	9.2
239.11977	4.4
249.04123	8.0
249.10435	4.5
249.14165	2.9
250.11206	5.7
251.11867	41.6
252.12701	3.1
263.08261	6.9
263.11926	8.5
264.09018	7.6
264.12677	3.6
265.09894	4.6
265.13547	7.7
266.10541	4.2
276.09149	6.7
277.09753	35.7
278.10587	16.6
279.11386	6.7
282.10104	3.9
283.10760	2.7
287.13989	4.1
291.11362	43.9
292.12112	57.4
293.12949	40.0
294.13663	3.4
295.10794	1.9
296.11523	2.1
301.11929	2.7
303.05075	7.1
304.16434	2.5
309.06210	2.5
313.12012	2.5
319.10938	2.1
324.11139	7.6
325.11874	3.9
327.07648	2.2
335.10361	13.6
336.11139	20.1
337.11908	10.0
343.13123	3.9
344.14142	2.4
358.15643	3.6
360.17191	5.9
372.17163	13.5
374.18896	6.9
386.14618	4.5
390.18295	6.3
400.16599	5.7
402.18152	5.1
403.18854	2.2
404.16302	2.4
406.17645	2.8
414.18179	14.7
415.18866	6.9
418.17853	13.8
432.19431	16.1
436.18774	4.5
441.16913	2.5
447.17578	3.2
458.17050	4.3
459.17929	10.9
476.18277	36.2
477.19028	16.0
478.19882	4.6
490.19733	13.0
508.20844	88.0
509.21353	9.9
513.25140	3.2
525.24835	3.5
537.24908	18.6
555.26172	22.1
569.24219	4.1
581.24005	18.2
595.23938	33.4
596.24347	2.7
599.25055	100.0
600.25659	6.4
601.26685	4.6
613.26910	13.6
631.20593	4.6
631.27997	73.8
632.28979	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	631.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.1
61.98822	14.8
67.69808	3.2
69.16045	20.4
96.96011	5.7
107.03797	4.2
110.06123	8.8
113.14309	3.1
120.08195	39.9
122.06118	67.9
125.02455	6.3
137.02492	5.2
144.04517	5.9
146.57706	3.4
161.02408	3.6
164.07147	3.3
169.01378	3.1
169.47656	3.7
174.05630	5.3
192.00594	7.5
203.05928	5.6
207.03090	3.5
223.08931	3.6
236.09558	4.3
237.10378	5.4
251.11917	26.9
252.12685	3.8
253.13628	3.5
263.08279	5.2
263.11804	5.6
264.09058	5.5
265.09991	4.3
265.13617	3.8
272.23392	3.1
276.08987	6.0
277.09811	31.7
278.10519	11.3
279.11179	4.6
282.10068	3.8
287.13931	3.8
291.11420	36.7
292.12131	47.2
293.12946	36.7
296.11746	3.7
301.11624	3.9
324.10989	4.8
325.11795	3.5
335.10355	9.1
336.11053	18.7
337.11923	8.4
343.12997	4.0
372.17194	9.5
390.18082	8.1
400.16287	5.0
402.18118	6.1
414.18384	17.4
415.18820	3.9
418.17523	7.4
432.19357	10.7
459.17816	6.0
476.18277	36.1
477.19125	14.0
490.19696	4.3
508.20804	92.9
509.21368	10.9
513.24707	3.7
524.16431	3.9
537.25012	9.5
555.26227	23.0
581.24066	6.9
599.25000	100.0
600.25159	7.2
613.26953	6.0
631.27679	88.4
632.27930	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	633.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
57.89821	0.4
69.03448	0.9
69.44766	2.4
81.03455	1.8
83.01379	2.8
83.05013	0.5
93.03438	1.7
95.01385	1.4
95.05024	1.9
97.02939	3.1
102.00503	0.4
102.70819	0.5
109.02948	6.8
111.04531	5.3
120.26746	0.5
121.02933	1.6
121.06533	0.5
123.00877	3.2
123.04578	0.7
124.01665	2.7
125.02448	57.5
126.02744	0.7
135.04492	1.0
137.02437	19.7
138.03246	1.4
139.04010	13.3
149.02429	1.0
149.06120	0.6
151.03955	2.5
159.04520	1.0
159.92967	0.5
161.02415	1.7
164.01126	3.9
165.01932	12.3
166.02548	0.5
167.03488	13.0
173.06009	1.0
175.03996	1.7
176.04762	0.5
177.01915	1.4
177.05492	3.0
179.03493	13.8
180.04089	0.5
181.05061	0.5
187.81598	0.5
189.05421	0.6
191.07175	1.2
192.00598	2.5
193.01480	0.9
193.05058	0.5
194.02199	0.9
195.97668	0.5
201.05548	1.3
201.12671	0.4
203.03531	2.0
204.04283	2.1
207.02960	1.1
218.05775	0.5
219.06589	11.1
221.04581	4.6
234.01680	1.7
237.07848	0.6
243.06543	0.9
261.07669	3.8
305.06656	100.0
306.07028	3.2
312.04892	0.5
327.07043	3.1
447.91483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.6
60.51005	0.5
61.50458	0.6
69.03429	0.9
70.45464	0.6
70.93444	0.6
81.03456	2.2
83.01386	2.8
93.03463	1.7
95.01367	1.3
95.05035	2.3
97.02951	2.7
98.22643	2.1
109.02966	7.6
111.04507	4.7
121.02929	1.9
123.00916	3.8
123.04502	1.2
124.01672	2.7
125.02444	62.8
126.02824	1.0
130.45792	0.6
135.04536	1.7
137.01418	1.3
137.02443	22.1
138.03174	1.4
139.04002	13.4
151.04024	2.1
159.04463	1.7
161.02443	2.3
164.01154	5.1
165.01923	13.1
166.02443	1.1
167.03505	14.2
173.06114	1.0
175.04005	2.4
176.04681	1.0
177.01991	1.2
177.05533	3.3
178.02693	0.7
179.03482	14.7
181.05009	0.9
191.07103	2.3
192.00612	1.5
193.01367	0.8
194.02219	0.6
201.05571	1.4
203.03516	1.9
204.04265	2.7
207.02986	0.9
218.39009	0.6
219.06590	12.3
221.04515	4.9
233.08110	0.9
237.07706	1.1
243.06609	0.8
261.07654	4.3
263.05710	0.7
305.06656	100.0
306.07025	3.1
326.24231	0.7
327.04623	6.5
585.17126	0.7
596.91711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.4
60.46790	1.0
61.98805	1.5
68.37818	0.9
69.03437	0.9
71.01367	5.5
73.02940	1.7
76.63113	1.2
77.94399	0.9
80.50405	0.9
81.03464	6.0
83.01395	5.2
85.02945	2.2
89.02436	1.6
93.03455	1.7
95.01392	1.8
95.05003	4.1
96.86384	1.0
96.95969	1.9
97.02937	4.2
98.47305	0.9
99.00874	1.0
99.04540	1.7
101.02452	2.5
102.73863	0.9
103.01483	3.0
107.04977	1.9
107.98425	1.0
108.02190	1.3
109.02934	3.4
109.06632	0.9
111.04533	1.5
113.02466	2.4
115.07645	1.4
116.92844	3.8
121.02938	4.3
123.04549	5.9
124.01681	2.1
125.02442	14.0
131.95259	1.0
134.03731	1.5
135.04538	1.4
137.02420	5.8
137.06056	2.5
137.09642	1.4
138.03253	1.3
139.03989	4.1
139.07616	6.0
147.04475	1.6
149.02357	1.5
150.03252	1.3
151.03970	2.7
151.11264	2.0
151.92043	1.0
161.02472	1.2
161.09924	1.0
165.01913	1.5
165.05519	3.2
167.03484	17.7
169.01407	2.9
179.03445	2.6
179.10730	5.9
181.04948	1.0
193.08794	1.3
193.12248	2.6
195.10245	1.7
197.04504	3.1
203.07169	1.1
205.08749	0.8
208.29506	1.1
209.04538	21.6
219.10187	1.0
221.08290	2.4
221.11810	2.0
221.62115	3.6
222.12521	8.4
222.62740	4.4
223.09712	7.6
223.13199	1.2
233.11906	1.3
235.09724	2.6
235.13162	1.4
239.05586	7.4
245.11734	1.1
249.11453	1.5
249.14882	1.1
261.11053	1.1
265.10797	17.7
269.06650	1.5
277.10742	7.0
279.12451	1.1
291.12531	1.2
295.11877	5.5
305.10190	1.7
307.11847	100.0
308.12091	3.8
319.11984	4.6
337.12888	64.8
338.13104	2.5
342.74948	1.1
349.12842	3.1
367.13892	19.4
379.13760	1.0
391.13904	1.9
405.18509	1.5
405.68634	4.1
406.18396	1.5
409.15097	5.0
427.15897	20.5
439.16025	2.9
451.15851	1.9
469.17023	3.9
481.17017	1.9
499.18173	1.5
507.71780	3.5
547.20447	4.5
571.19891	1.1
573.25012	1.3
588.74268	2.0
589.22260	4.2
602.50092	1.1
626.02820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71566	0.6
53.32552	0.7
55.01879	2.2
57.03451	6.7
58.00588	0.8
59.01379	100.0
64.42569	0.8
69.03467	1.5
70.58709	0.8
71.01381	43.3
73.02944	43.3
75.00869	1.2
81.03477	0.8
83.01382	11.6
83.05055	0.8
85.02948	19.3
86.00093	0.9
87.00875	7.9
89.02440	15.0
93.03474	1.5
95.01394	3.7
96.96027	1.4
97.02951	1.9
99.00878	3.5
99.04552	2.9
101.02444	47.3
111.00869	1.6
113.02450	26.0
113.06080	0.9
119.03516	7.8
123.04649	0.7
123.08211	2.1
125.02450	4.3
131.03531	2.7
132.42230	0.7
137.09761	2.9
143.03534	4.6
149.04541	6.0
150.06906	1.3
153.09215	4.7
159.03017	3.2
159.87854	0.7
161.04556	29.1
165.01859	0.8
165.09200	48.3
166.09496	0.7
167.03531	2.1
175.07674	1.7
179.05687	3.1
187.11334	3.2
189.09209	5.9
190.09982	1.6
203.05655	2.1
204.11588	2.5
205.12294	8.9
221.06770	3.2
221.11795	0.9
223.13448	5.0
295.15594	1.2
303.10965	1.0
367.17593	9.9
369.19049	0.9
385.18707	17.4
420.34036	0.8
427.19690	75.1
428.19873	3.5
455.19458	0.9
513.23792	2.8
529.22845	5.0
531.24585	4.2
573.25702	1.3
589.25543	2.1
591.27112	1.7
633.22540	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	633.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
57.03445	9.3
59.01380	100.0
69.61324	5.3
71.01006	2.7
71.01380	44.0
73.02950	13.3
75.00865	2.6
75.96097	1.5
83.01385	5.1
85.02964	11.6
87.00875	10.5
87.36101	1.6
88.24605	1.5
89.02447	44.2
95.01382	3.9
97.02929	1.9
98.21854	1.8
99.00877	4.8
99.04520	2.4
101.02441	29.6
111.00896	2.4
113.02454	21.2
117.29388	1.6
119.03507	20.1
123.08189	2.2
124.01663	2.9
125.02457	7.1
131.03496	3.2
135.08199	2.3
137.09753	3.8
141.01917	1.7
143.03508	5.7
149.04572	4.1
150.06894	2.0
153.01924	1.9
153.09193	3.5
161.04558	21.8
165.09203	64.4
166.09488	2.5
166.93674	1.6
168.00612	3.9
179.03395	2.0
179.04140	1.8
179.05583	13.9
179.43367	1.5
183.02972	5.8
187.11317	3.2
189.09233	5.0
191.69614	1.4
204.11514	2.6
205.12341	10.5
221.11861	4.1
223.13342	5.2
258.14676	1.8
300.54935	1.7
345.08188	6.4
367.17618	4.9
385.18677	98.4
386.18817	2.7
427.19687	12.6
529.22833	9.5
589.24841	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	634.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	10.3
61.98814	12.8
69.26999	15.6
71.60046	3.2
71.93431	3.2
86.99820	3.8
101.02425	4.1
125.02445	8.7
129.41853	4.0
137.02411	5.8
154.82625	3.4
161.02394	6.1
186.63232	3.8
208.10881	3.1
221.15468	8.0
249.14955	43.8
265.14413	100.0
266.15015	11.1
333.77628	3.2
428.20245	10.3
429.21295	4.3
442.12137	3.8
484.75827	3.6
487.58560	3.4
497.95776	3.4
530.08801	3.2
591.26508	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
59.01352	1.0
69.03444	0.9
70.78139	0.8
71.01354	0.8
81.03438	1.8
83.01378	1.2
91.05527	4.8
93.03429	1.0
97.02953	1.8
105.07091	0.9
107.05027	6.5
108.02126	1.5
109.02961	7.3
111.04498	2.0
119.05006	1.0
121.02979	1.0
121.06609	4.0
123.00880	2.2
123.04512	9.5
124.01616	1.3
125.02441	35.5
126.02772	1.7
133.06604	1.2
135.04520	13.0
135.57916	0.8
137.02438	12.4
137.06073	15.7
139.04001	6.2
141.34055	0.7
147.04517	2.1
149.02415	0.7
149.06090	9.3
151.03966	1.3
152.01169	0.9
159.04492	1.1
161.02390	1.2
162.03285	0.8
163.04005	1.3
164.01176	3.8
165.01907	7.9
165.05563	17.2
166.02594	1.0
167.03497	11.1
177.01947	2.5
177.05557	5.7
179.03482	25.0
180.03790	1.2
181.05028	2.0
188.17409	0.8
189.05588	1.4
191.03487	4.4
191.07098	0.7
195.06609	3.9
203.03542	1.5
205.04967	1.1
209.04529	10.8
216.68631	0.9
219.06627	5.7
221.04526	8.7
233.04532	4.3
235.39774	0.6
239.05602	6.4
261.07596	1.3
305.06653	54.8
306.06924	4.6
307.07031	4.0
311.07971	1.0
329.08749	100.0
330.09207	2.2
382.62186	0.8
453.82370	0.8
638.74298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02653	0.9
59.01379	33.2
71.01371	7.0
74.89126	0.8
75.82484	0.9
85.02976	0.9
86.21284	1.0
89.02451	7.3
90.73952	1.0
91.05533	1.9
96.96003	2.9
98.85774	0.8
101.02432	5.7
103.05552	4.3
113.02465	1.6
119.03506	1.7
125.02444	6.4
126.02730	1.1
135.04523	1.5
145.06599	0.9
145.07689	1.6
147.04517	8.6
149.02464	1.1
149.06056	2.8
149.63623	0.9
160.05269	1.5
160.06384	5.5
161.06117	1.5
161.07211	29.8
162.03281	1.4
163.03975	2.8
164.07138	5.8
165.05536	3.7
167.03540	2.2
169.01399	3.5
175.04016	1.3
175.08760	27.2
177.01921	2.1
179.05554	1.2
180.04210	0.9
189.06708	66.9
190.07010	1.3
191.03496	53.1
192.03778	1.1
193.05045	7.0
194.91248	0.9
195.06612	1.5
203.08258	26.9
204.08589	1.0
205.04970	1.2
206.08212	11.5
213.63147	0.9
221.04572	1.9
229.09741	1.4
233.04529	6.0
243.02757	0.9
272.68890	1.1
295.13019	1.2
305.11295	1.3
311.07721	25.1
323.12457	100.0
324.12814	3.4
575.26965	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	635.251
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.35197	0.6
50.74414	0.8
61.98820	1.7
78.13695	0.8
86.92373	0.7
102.36326	0.7
105.03586	0.8
160.84190	2.8
180.81224	0.9
238.17422	0.8
266.02945	0.8
372.49835	0.9
388.25095	0.7
431.15121	2.2
432.15814	1.3
446.17450	1.5
447.17426	0.8
473.19717	1.7
474.17117	5.1
475.17664	19.3
476.17764	1.6
488.18414	1.3
489.19409	4.1
533.18213	15.2
547.19641	1.3
635.25085	100.0
636.25586	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	635.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14598	0.6
55.01883	0.9
57.02415	0.8
57.03452	1.3
59.01379	100.0
69.03466	1.0
70.58741	1.3
71.01379	39.0
72.99304	0.8
73.02946	23.3
75.00889	0.8
83.01389	5.5
85.02955	7.8
87.00899	2.9
87.73244	0.8
89.02444	37.4
95.01423	2.9
96.96010	0.9
99.00891	1.4
101.02441	24.9
112.38025	0.7
113.02450	18.3
119.03497	13.8
125.02463	1.5
131.03516	2.6
143.03496	4.2
149.04588	2.4
150.03268	2.1
159.03056	0.9
161.04564	9.3
165.05620	2.0
177.12866	1.2
179.05609	10.1
180.04247	0.9
188.79301	0.8
189.12959	2.0
191.14554	1.2
195.06688	2.7
207.13902	17.2
207.15697	1.3
210.05290	0.9
221.06685	1.2
225.07747	1.2
243.23503	0.9
351.18039	3.8
369.19183	21.8
370.19724	1.4
387.13098	0.8
387.20157	3.6
411.20212	44.9
412.20810	2.6
429.21075	1.7
502.95007	0.7
506.98398	0.8
531.24426	11.0
532.25348	0.8
538.69659	0.7
549.25598	7.1
573.48706	0.7
591.26477	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	635.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15879	1.1
55.01874	1.8
57.03436	2.9
59.01377	100.0
61.35950	1.5
69.37627	5.8
71.01382	46.8
71.27408	1.2
73.02948	22.5
83.01384	7.0
85.02953	15.2
87.00874	3.2
89.02442	29.6
93.78158	1.3
93.79989	1.3
95.01392	3.9
101.02450	28.1
102.28595	1.4
113.02449	30.1
119.03501	14.0
125.02456	2.8
137.09709	1.7
143.03511	3.6
143.32170	1.5
161.04549	11.9
179.05624	7.0
179.06970	1.3
229.02596	1.2
321.65524	1.4
369.19070	5.1
387.20218	3.0
397.77655	1.4
531.24451	53.3
531.32501	3.0
532.24896	3.5
532.40735	1.6
549.25555	27.1
550.25903	1.9
591.26624	12.4
592.26672	1.8
597.33362	1.6
600.58850	1.5
623.95081	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	635.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03428	1.1
59.01377	16.5
61.98826	2.8
66.08639	0.9
71.01381	9.3
73.02943	3.5
75.00859	2.4
82.95415	2.9
83.01393	2.5
85.02944	5.5
87.00922	1.9
89.02457	4.8
95.01423	1.3
101.02446	10.1
103.01490	1.0
109.02932	1.8
111.00871	2.6
112.25605	0.9
113.02451	4.1
116.92876	1.1
119.03497	2.0
125.02465	4.8
137.02400	1.5
141.01883	1.0
143.03526	1.3
149.06013	1.1
153.01939	2.1
161.02441	1.1
163.90793	0.9
167.03522	1.6
169.01453	1.8
177.01945	1.1
178.75230	0.9
179.05641	1.1
236.14189	1.4
251.16519	40.5
293.17633	7.6
309.17023	9.6
310.17651	1.8
323.09845	1.7
389.99329	1.0
413.21790	100.0
414.22095	4.2
575.26807	2.8
591.26746	2.9
599.24286	5.0
635.30011	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	635.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09477	0.2
50.55418	0.2
51.05207	0.2
57.03445	0.5
59.01378	2.0
71.01385	0.9
83.01400	0.2
88.01596	0.2
89.02448	0.9
95.01379	0.3
96.02174	1.2
101.02439	0.4
108.02181	1.7
109.02946	0.5
111.00869	0.3
113.02433	0.3
119.03487	0.4
122.03723	2.3
123.00899	0.5
123.04496	0.4
124.01642	2.7
125.02440	3.3
125.79080	0.3
136.01637	0.4
137.02472	1.3
138.03279	0.6
140.01073	0.3
145.02956	0.9
149.02434	0.5
150.03172	1.1
151.03993	0.3
152.01134	4.0
153.01933	0.9
159.04561	0.4
165.01945	0.6
165.05560	0.6
166.02679	0.9
167.03471	1.0
187.04002	0.4
189.02107	0.2
195.06624	0.3
201.05511	0.3
203.07121	0.2
211.38744	0.2
252.59065	0.2
253.05104	0.5
262.20215	0.3
265.18066	8.7
266.18466	0.4
271.06107	1.7
281.17621	3.8
289.07083	0.4
293.17569	56.7
294.17966	2.3
295.19009	1.2
307.18741	0.2
309.17053	100.0
310.17722	10.9
311.18607	3.6
323.18613	3.4
365.19623	0.3
416.22614	0.3
443.11130	0.3
455.22754	1.9
472.23105	24.7
473.23782	4.6
485.14117	0.4
635.29163	27.3
636.29797	1.5
636.39508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10708	1.5
61.18207	1.6
69.71026	5.6
73.60950	1.5
76.96190	1.6
78.95926	3.5
81.03458	3.4
98.87556	1.6
103.76842	1.4
113.13448	1.5
135.04468	1.6
152.99596	2.2
170.19771	1.6
184.40306	1.5
226.77882	1.7
254.01218	1.7
255.23045	1.9
275.23816	5.6
317.24823	100.0
318.25040	2.3
450.83362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21854	1.0
59.01383	2.6
60.96193	0.9
61.98828	100.0
63.51188	0.9
66.85410	0.9
69.68132	3.6
81.33080	0.9
81.97231	1.0
82.95388	1.3
98.22649	1.6
125.02433	1.0
151.31416	1.2
177.13585	1.0
182.67265	1.0
294.72482	1.1
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
52.92637	0.3
54.42030	0.3
55.42838	0.3
57.02347	0.3
58.02975	11.4
59.01389	1.5
65.09218	0.3
70.02979	6.0
70.03333	0.5
71.01392	0.8
71.44667	0.3
72.00906	3.3
79.44875	0.3
85.02939	0.4
88.98817	0.8
89.02464	0.8
91.05531	7.9
95.01379	0.4
96.96004	0.7
100.42611	0.3
101.02444	0.8
103.73969	0.3
113.02446	0.4
125.02473	1.8
130.12654	0.3
135.04552	0.5
147.04523	19.3
148.04842	0.5
153.01987	0.5
162.09293	0.4
164.07161	56.8
165.07468	1.1
167.03508	0.5
169.01421	0.8
177.01976	0.6
192.81046	0.3
195.06721	0.4
206.08212	100.0
207.08582	2.9
250.07185	0.9
276.74478	0.3
290.67499	0.4
322.60870	0.3
343.31625	0.4
417.92966	0.3
498.03119	0.4
577.28589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.7
68.99798	1.2
69.36182	3.9
71.01378	9.4
72.99297	3.3
73.02921	1.9
75.00865	8.3
83.01367	1.9
85.02951	7.7
87.00858	3.9
87.03996	0.8
89.02446	2.0
91.05559	0.7
95.01385	4.1
96.96021	7.4
97.02931	0.9
99.00878	13.1
101.02452	1.0
103.00372	1.3
109.02938	1.8
111.00857	1.7
112.81979	0.8
113.02447	10.0
115.00380	1.7
121.02982	1.1
121.06560	1.0
122.03713	1.5
122.13210	0.8
123.04530	1.3
124.01654	3.4
125.02457	4.6
134.86476	0.7
135.04523	1.2
135.08167	5.6
137.02463	2.4
137.06091	3.9
138.03159	1.2
139.00325	1.1
139.07614	0.9
144.69257	0.8
151.03992	3.1
151.07599	0.8
153.01941	1.0
153.09224	1.0
157.01421	1.4
161.06046	2.1
163.07643	21.0
165.05582	2.0
167.03487	1.1
169.01379	2.4
175.02455	0.8
177.01894	1.7
177.05515	1.0
179.07109	9.6
181.08681	4.0
189.05576	1.7
207.06612	60.9
208.06920	2.1
223.24399	0.8
224.06886	1.9
225.07674	20.1
225.09889	1.1
249.06041	6.0
267.07214	3.1
298.10507	2.4
299.11407	1.1
340.11661	1.1
412.13950	1.5
457.13461	3.4
474.13675	3.0
475.14478	10.7
619.18921	1.8
637.19788	100.0
638.19946	5.1
663.57056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2137
Annotation	4'-Hydroxy-5,7,2'-trimethoxyflavanone 4'-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01856	1.3
57.03431	3.8
58.00620	1.1
59.01378	51.5
61.98814	2.0
67.01881	3.2
67.21371	1.5
68.99807	6.2
69.03446	2.7
71.01009	1.8
71.01376	23.4
72.99313	1.4
73.02928	6.1
83.01383	5.4
85.02950	21.6
86.00100	1.4
87.00858	7.1
88.98824	1.9
89.02422	7.7
91.04025	2.8
93.03435	2.4
95.01370	5.2
96.95990	2.4
99.00874	2.8
101.02463	5.7
102.23312	1.2
108.02169	4.5
109.02934	1.6
111.00866	6.9
113.02447	17.0
119.03447	1.3
121.02945	13.8
122.03705	1.9
123.04507	6.2
125.02431	4.9
129.01970	2.6
135.04544	3.0
137.02470	1.3
139.00403	2.7
141.01692	1.5
143.03497	2.3
145.02982	2.9
146.03656	1.2
147.04465	2.9
149.06035	1.2
149.93050	1.1
150.06873	2.0
157.01349	1.8
161.02553	1.2
161.06020	1.8
165.05496	1.9
169.01396	3.9
171.02977	3.4
177.05589	4.0
178.06339	1.4
195.06555	1.3
209.08107	1.9
209.11995	1.5
231.05072	3.1
237.05592	2.0
237.07669	9.6
241.05119	1.5
249.05984	2.2
251.07014	1.6
252.08110	1.3
253.05113	2.0
253.08621	1.5
254.05807	1.6
255.06645	5.0
263.07706	18.4
263.10327	2.2
264.07782	1.4
265.08600	1.6
267.06650	15.0
268.07489	7.2
269.08151	27.5
270.08746	2.0
280.07391	2.8
281.08310	13.5
282.08807	2.7
283.09790	18.7
284.10605	7.5
285.11353	1.5
290.51996	1.2
291.82806	1.2
295.06677	1.3
295.09717	9.2
296.10513	4.8
299.12787	4.2
310.08514	2.8
311.09247	21.0
311.12549	1.8
312.09814	1.9
322.08368	2.2
323.09186	7.5
325.07220	2.1
325.10849	3.5
328.09528	8.4
329.10196	3.3
337.10693	2.9
340.09503	25.3
341.10211	5.7
343.11838	50.9
344.12198	2.3
355.11838	46.2
356.12231	1.8
389.25711	3.1
403.13928	5.2
415.13843	4.3
416.88522	1.2
417.15524	2.9
493.19836	1.2
531.18848	5.6
543.19238	1.5
575.18097	8.2
577.28534	2.3
587.17828	4.8
593.22931	2.6
593.31671	18.8
605.18805	5.3
607.20245	39.7
619.20282	16.3
620.20349	1.3
637.21332	100.0
637.29846	3.5
638.21747	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	637.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89170	0.8
64.77993	0.8
67.05468	0.9
68.74742	0.9
71.44609	0.9
74.51643	0.8
83.05036	1.1
84.31936	0.8
85.40103	0.8
87.16949	0.9
88.18851	0.8
106.61218	0.8
110.00078	2.7
127.58202	0.9
133.12450	0.9
135.34607	1.0
137.99590	17.9
152.01166	4.0
176.00566	0.9
182.18216	0.9
193.15916	2.8
193.77647	0.9
195.17525	44.9
205.03413	0.8
239.16522	0.9
251.16527	38.6
253.09824	1.0
279.16000	100.0
280.16345	2.0
289.38483	1.0
297.17084	12.3
307.15503	37.9
308.15674	1.1
353.53821	0.9
427.04980	1.0
463.10083	1.1
561.43756	1.0
581.30951	14.5
609.30078	4.7
613.63245	0.9
637.29968	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	637.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	23.2
69.32327	38.8
78.65163	10.2
80.21621	10.2
130.67995	11.3
200.64803	9.0
201.27635	10.9
205.28070	11.2
209.11816	12.6
217.00227	10.5
225.82268	9.1
238.55362	11.5
383.22269	13.0
396.19501	11.5
401.23392	20.3
619.31244	100.0
637.32129	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	637.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26902	2.7
53.88662	2.6
53.93246	2.9
60.14879	3.1
68.44521	3.1
78.01102	10.8
90.96249	3.0
175.02620	2.9
195.17509	37.0
219.17526	70.6
224.86308	2.8
251.16528	21.2
279.16019	9.1
297.17130	7.1
339.18112	100.0
340.18231	3.8
399.73770	3.3
637.31531	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	637.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
58.34313	0.1
59.01379	0.2
60.61018	0.1
69.59884	0.3
87.00873	0.1
89.38107	0.1
91.55569	0.1
109.02955	1.3
110.03730	2.8
110.04462	0.2
123.00912	0.2
124.01655	0.1
124.05331	0.2
125.02444	1.1
132.19376	0.1
137.02440	1.6
138.03220	6.0
139.03947	0.2
140.64449	0.1
142.02696	0.8
152.04765	0.2
156.04277	0.1
165.01939	0.4
166.02699	4.1
167.03435	0.2
179.03485	0.8
180.04271	1.9
193.04993	0.1
198.01695	1.0
235.29172	0.1
236.10513	0.1
261.18594	0.2
267.44492	0.1
277.17960	0.1
279.19632	7.2
280.19983	0.3
289.18201	0.2
307.19116	100.0
308.19449	4.6
637.37152	7.2
638.37408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	100.0
61.98823	31.4
73.03719	25.4
77.40955	29.2
80.96527	46.1
90.63209	30.8
94.21751	30.1
96.83082	28.0
98.21856	59.1
141.01691	79.4
141.37485	30.3
188.89786	35.8
307.23892	31.6
579.28735	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72458	0.9
70.53391	2.0
78.01102	5.6
103.56261	1.0
114.07501	1.1
119.37166	0.9
123.00867	2.4
124.01637	5.7
152.01154	4.0
166.02704	1.4
175.03987	1.2
187.03976	2.6
187.07547	1.1
191.51070	1.0
199.07628	1.7
203.03442	1.5
215.03506	7.7
219.17514	18.8
247.20689	3.2
259.02417	1.1
265.18048	5.1
291.15961	4.1
293.17609	34.9
293.21109	2.7
294.17987	1.2
319.19278	1.3
321.20621	7.7
343.22446	1.0
345.24506	2.1
356.19843	5.8
444.49228	1.1
445.56155	1.2
509.43802	2.6
521.43463	3.2
537.43243	1.4
565.42450	4.2
581.42169	4.7
597.61963	1.3
637.41046	100.0
638.41254	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	639.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.2
59.01380	3.1
59.23783	1.4
61.98843	2.0
62.50758	1.7
71.42086	1.4
81.03465	15.3
81.77589	1.6
83.01385	12.8
85.02979	1.5
93.03441	3.7
95.05052	9.4
97.02962	5.8
99.04513	10.7
101.02454	1.7
107.05029	3.3
109.02947	7.4
114.57780	1.5
119.05007	1.9
121.02941	5.0
123.00788	1.9
123.04525	7.0
124.01656	1.9
125.02444	69.8
137.02444	54.4
139.04025	7.2
143.05089	2.1
145.02942	2.7
149.02385	3.7
151.03978	7.1
153.01837	1.7
159.04509	3.3
161.02434	2.3
163.00427	2.2
163.04018	2.4
164.01123	10.0
165.01932	22.5
165.50612	1.6
166.02815	1.4
167.03494	100.0
171.04596	2.3
173.06090	4.3
174.03241	2.2
175.03979	6.1
177.00546	1.7
177.01962	6.3
177.05470	2.1
179.03493	6.8
181.05061	5.3
183.03053	1.8
183.04503	3.7
185.02409	2.3
185.06070	2.7
187.03932	3.0
189.01929	2.5
189.05566	3.4
191.03479	3.2
195.04570	2.4
199.04007	8.8
201.01901	1.6
201.05585	5.1
203.03441	4.9
204.04283	1.9
205.05075	5.0
209.06033	1.5
211.03954	4.9
212.04648	1.5
213.02002	2.7
213.05524	5.5
214.02727	3.8
215.03471	11.5
217.05063	3.8
225.05661	3.3
226.02791	2.3
227.03448	11.6
228.04274	3.9
228.23830	1.7
229.01268	1.9
229.05006	10.7
231.02985	5.3
237.05534	2.2
239.03520	5.0
239.07126	1.9
240.04295	2.1
241.01489	2.5
241.04938	8.9
243.03001	5.9
244.03665	2.3
245.04401	4.0
251.03401	3.7
253.05122	4.6
254.01904	2.1
255.02957	20.7
255.06851	1.9
256.03741	2.7
257.04550	7.3
258.05048	2.0
259.02502	2.3
267.02954	10.9
267.06815	2.1
268.03552	1.7
269.04538	6.7
273.04129	7.1
279.02979	2.9
280.03922	1.6
281.04495	3.0
283.02475	5.0
283.05765	1.8
284.03189	1.8
285.04022	6.2
287.05493	2.5
287.84808	1.7
291.06589	2.2
293.04590	2.4
293.08054	1.8
295.02448	3.7
295.05798	2.7
297.04077	4.5
303.05219	4.4
305.06644	6.9
307.02335	2.0
307.06070	2.7
309.07941	2.5
311.05670	3.0
315.05029	9.5
317.06955	1.8
319.06082	4.0
323.05402	2.4
325.07330	1.7
327.04807	2.3
331.05908	2.1
333.06223	3.4
337.03470	2.2
337.07162	3.5
345.06174	2.6
347.05905	1.8
349.07175	2.5
377.06702	2.5
379.08249	2.4
387.05298	2.4
389.06842	2.6
393.05933	3.6
395.07666	3.6
405.06128	19.2
407.07730	2.2
411.07111	1.8
421.05554	5.0
423.07220	8.5
427.10318	2.6
435.07153	3.6
439.06516	3.3
441.08847	2.6
445.05768	3.6
453.08087	7.9
463.06570	3.5
465.08203	2.0
471.09384	17.9
472.09760	1.7
483.09344	6.6
495.09537	3.6
501.10461	7.3
509.08798	1.9
513.10095	1.8
543.09192	2.1
561.10132	6.1
571.08435	4.7
579.11163	3.7
589.09308	4.0
589.57202	1.6
603.11334	2.3
607.10803	6.1
621.12366	7.1
639.13159	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	639.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.8
61.98814	1.4
69.13341	3.0
71.01371	1.4
73.02962	0.5
85.02953	0.6
89.02433	0.5
96.95989	0.7
98.22610	0.8
99.92561	0.9
101.02402	1.0
108.02150	1.1
109.02952	1.0
111.00863	0.8
113.02493	0.6
114.94923	0.7
116.92821	2.3
121.02979	0.6
123.04561	1.0
124.01639	0.7
125.02438	3.5
134.03700	0.5
136.01660	1.3
137.02449	0.8
141.88028	0.4
145.02921	0.6
149.02516	0.6
151.00380	0.6
152.01103	1.3
153.01909	1.5
158.93901	3.4
161.02380	1.9
162.03143	0.9
164.01135	6.2
165.01926	0.5
166.02686	0.5
167.03453	2.8
169.01439	0.8
177.01932	1.7
177.05463	0.4
178.99828	2.2
189.01927	0.5
190.02690	1.3
192.00627	100.0
193.01326	5.6
194.02168	2.9
205.01376	1.2
206.02261	2.1
207.02965	48.7
208.03302	1.3
209.04538	3.2
222.01672	0.8
234.01663	7.0
235.02255	0.4
249.04001	2.8
254.04146	0.5
269.06647	5.0
286.37082	0.5
309.06158	1.3
327.07309	0.5
370.09595	0.5
441.08167	1.0
462.07773	0.5
477.10339	54.2
478.10562	3.1
479.08212	0.8
538.35431	0.5
579.28705	0.9
603.13470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
61.98842	0.8
63.92193	0.4
69.15142	2.4
71.01362	1.3
75.64381	0.4
95.01411	0.5
98.22694	0.7
99.92584	1.2
101.02436	1.0
108.02172	0.8
109.02969	0.7
111.00871	0.5
113.02450	0.6
114.94910	0.8
116.92854	4.0
123.04469	1.1
124.01648	0.5
125.02440	2.9
136.01646	1.3
149.02435	0.5
151.00360	0.6
152.01105	1.2
153.01895	0.9
158.93915	4.1
161.02432	1.4
161.04524	0.4
162.03223	1.1
163.51176	0.4
164.01144	5.5
165.01840	0.4
166.02696	0.6
167.03453	3.1
169.01378	0.6
173.02528	0.4
177.01912	0.9
178.99870	2.3
183.95551	0.4
189.01862	0.5
190.02696	1.9
192.00641	100.0
193.01317	5.7
194.02203	2.7
205.01407	1.3
206.02252	2.0
207.02980	54.7
208.03358	1.5
209.04527	2.8
216.97076	0.4
222.01651	0.8
232.03946	0.5
234.01706	5.6
235.02481	0.5
249.03955	2.8
269.06680	5.7
309.06180	1.5
375.20425	0.5
415.99139	0.4
433.21164	0.6
462.07925	0.8
477.10379	51.9
478.10654	2.6
494.00876	0.5
579.29645	1.4
603.13257	0.7
639.15942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02796	1.3
55.01861	1.9
57.03430	3.5
59.01381	18.5
61.24270	1.2
61.98820	1.7
67.01918	1.2
68.99793	2.5
69.03452	2.0
69.62815	4.4
71.01379	23.8
72.99294	6.4
73.02946	4.4
74.68339	1.2
75.00872	13.9
84.02158	1.2
85.02953	15.1
87.00871	4.4
89.02435	4.0
93.03484	1.5
95.01364	3.4
96.96030	1.7
98.22578	1.9
99.00872	9.4
101.02446	3.6
108.02202	1.6
109.02968	1.4
111.00878	2.4
113.02448	21.2
117.01920	1.7
121.02924	2.5
122.03722	5.3
123.04481	1.9
125.02447	3.7
133.02954	3.6
134.03740	29.9
135.04486	4.3
137.02538	1.7
148.05255	1.8
149.02423	6.4
149.06120	6.4
150.03218	35.8
151.03996	8.0
153.01982	1.5
160.01654	5.4
161.02470	3.3
161.04546	2.3
161.06017	1.2
164.04854	1.9
165.05566	35.5
167.03445	2.3
169.01393	1.7
175.02454	3.6
175.04012	7.8
177.01964	1.9
178.02702	6.0
180.04259	1.7
181.05083	6.3
192.00613	2.9
193.05048	21.0
195.06667	4.6
207.02869	1.5
220.09814	1.3
231.05063	2.4
249.06136	21.7
253.07201	1.6
267.07214	5.4
270.01657	1.7
282.08871	1.6
288.49719	1.2
309.06372	1.6
313.03546	5.4
381.11938	3.7
425.10992	1.7
439.12463	2.0
442.11084	9.9
443.11929	9.4
457.13419	1.8
578.28644	5.8
579.29303	9.1
621.18445	3.3
639.19281	100.0
640.19409	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	639.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26561	0.9
53.71619	1.1
57.03428	2.2
59.01369	14.9
61.98821	1.6
68.99789	2.6
69.03446	1.1
70.68041	0.9
71.01377	15.7
72.99306	5.4
73.02926	1.9
75.00867	15.8
78.43504	0.9
83.01361	2.0
84.02171	1.2
85.02945	17.1
87.00868	3.9
88.52587	0.9
89.02433	2.7
93.03468	2.0
95.01387	5.0
96.95944	1.2
97.02938	0.9
99.00880	6.7
103.00350	1.9
109.02926	1.5
111.00881	1.4
113.02453	15.0
115.00387	1.5
117.01915	1.8
117.03532	1.1
121.02945	4.0
122.03744	4.1
123.04521	3.5
125.02329	1.1
129.01880	1.6
132.02139	1.1
133.02919	2.7
134.03734	33.3
135.04541	4.4
137.02438	1.1
148.05289	2.0
149.02441	7.5
149.06041	4.7
150.03218	29.4
151.04021	10.9
160.01648	5.5
161.02440	3.5
164.04755	2.2
165.05557	26.3
166.02669	1.2
175.02477	2.8
175.03979	6.7
178.02742	4.9
179.03485	2.1
179.07147	1.4
180.04256	2.6
181.04991	7.2
192.95831	1.3
193.05052	19.7
195.06651	4.7
229.47623	0.9
231.05069	2.1
239.07057	1.2
249.06133	20.6
250.06299	2.5
267.06970	3.4
270.01587	1.0
278.68405	1.0
282.08878	1.9
313.03326	2.4
341.10211	3.4
381.11816	2.7
417.14825	1.1
439.12503	1.3
442.11081	6.3
443.11896	6.8
457.13306	1.8
477.10400	1.2
563.06134	1.2
578.28961	1.2
579.29541	1.9
621.18414	3.5
639.19281	100.0
640.19373	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	639.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03440	3.4
59.01377	40.6
61.98832	4.5
66.14995	0.8
68.78269	0.7
69.64999	1.7
69.65385	1.2
71.01377	31.5
72.99322	1.3
73.02945	5.4
81.25632	0.7
82.80289	0.7
83.01372	2.7
85.02943	17.1
87.00851	2.3
89.02441	24.7
91.49059	0.7
95.01379	1.2
97.02935	1.9
97.57506	0.8
99.00863	5.5
101.02442	10.6
113.01697	1.4
113.02442	20.9
125.02450	2.7
131.03520	6.9
137.02534	1.0
143.03479	3.5
149.04549	5.6
152.49440	0.8
155.03479	0.9
159.02885	1.0
161.04550	4.1
161.08139	1.3
166.02672	0.9
173.04517	1.8
179.05597	1.6
229.08760	1.4
265.25650	0.8
293.17523	1.7
294.17911	3.2
295.18030	2.6
309.16977	2.8
310.17407	6.2
311.17740	6.3
311.72699	0.8
312.17935	3.5
313.18298	1.6
315.17981	5.8
414.65686	0.9
429.21161	2.1
463.37137	0.9
474.23618	1.1
475.23999	1.6
476.24448	1.4
536.94653	1.1
553.23242	1.2
579.26514	100.0
580.26685	2.8
639.30231	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	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03432	3.5
59.01378	26.3
61.98828	10.3
63.95086	1.0
65.03951	3.0
67.24473	1.0
71.01380	19.1
72.99286	1.5
73.02950	6.0
78.95901	13.3
81.03422	1.6
83.01365	2.5
83.05032	8.0
85.02929	5.8
85.06578	1.8
86.00063	1.0
87.00857	8.0
89.02457	7.3
95.05020	1.2
96.95973	1.0
96.96996	1.2
97.02938	1.4
97.06580	3.5
98.21856	2.4
101.02435	14.9
105.07111	2.3
107.05019	1.5
109.06555	3.0
111.08162	5.7
113.02460	8.8
119.04993	1.9
123.08152	2.2
125.02419	3.3
125.09726	13.5
127.11353	1.2
135.08195	1.5
137.09760	1.6
145.05038	3.6
151.11278	1.2
152.99550	9.8
161.04558	3.4
163.11256	1.9
171.10271	50.7
173.36554	1.1
179.05594	1.9
183.13896	1.4
185.11830	2.8
187.14948	1.7
205.15953	2.9
207.13770	2.4
209.11830	26.2
211.13396	28.4
212.13818	1.3
215.14398	10.5
221.15521	2.8
231.13872	3.8
233.15443	32.4
235.08154	8.6
235.13353	1.9
239.16469	1.3
249.14951	26.0
251.16502	1.8
253.09238	6.4
286.44580	1.1
323.23444	1.4
331.26385	2.5
341.25113	5.6
357.24371	2.0
359.25876	3.0
361.59595	1.2
363.12207	1.3
367.22717	3.6
375.25317	4.3
379.15033	1.3
385.23834	24.7
386.24384	1.1
393.26517	1.3
395.14517	2.1
403.24860	39.3
404.24747	1.2
407.19162	2.8
421.25912	9.6
447.22089	1.2
461.29419	1.6
485.23776	2.6
575.26166	2.9
607.28802	6.6
611.34369	3.2
616.41541	1.2
621.32751	100.0
622.32935	6.4
639.33771	56.3
640.34186	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	639.3746
Annotation	Cilistol j
Peak:m/z	Relative Intensity
51.46895	1.5
55.01874	5.1
56.96380	1.5
57.03440	4.2
58.00594	1.8
59.01375	34.2
60.01707	1.6
61.98828	16.1
65.14892	1.6
71.01380	38.6
71.37465	1.9
72.99294	1.7
73.02962	15.0
75.00883	2.4
76.15035	1.5
83.01374	9.7
85.02950	21.8
86.00110	1.9
87.00861	1.8
89.02445	3.2
95.01387	3.8
96.96027	4.7
97.36733	1.8
99.00908	4.1
101.02450	33.6
109.96450	2.0
111.00897	6.4
113.02441	10.9
123.04488	3.1
125.02441	6.2
135.04475	2.4
143.03456	2.1
161.04536	8.6
169.01434	2.3
202.67722	1.6
208.25468	1.8
209.11786	5.0
211.13406	3.5
215.77536	1.8
219.57074	1.7
233.15488	2.0
284.41840	1.7
284.72726	1.7
343.24899	2.9
349.00027	1.6
433.33249	6.9
485.44818	2.0
496.38818	2.0
532.75562	2.0
577.37585	6.8
595.38391	26.2
596.38171	2.8
621.32892	2.2
639.37531	100.0
640.37689	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	641.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
57.03431	0.5
59.01365	1.7
70.98003	0.5
70.98341	0.4
71.01378	6.2
73.02933	2.7
76.41058	0.5
83.01390	0.8
85.02943	3.9
93.03425	0.4
95.01374	0.6
99.00876	0.9
101.02444	3.4
107.05023	100.0
108.05346	1.0
108.24999	0.4
113.02451	2.8
118.29208	0.4
118.48815	0.4
120.67821	0.4
121.02961	0.5
125.02418	0.5
137.02460	2.1
151.03999	95.1
152.04340	1.2
161.04535	2.2
168.59790	0.4
169.57167	0.4
192.00699	0.7
193.01346	0.5
197.04643	0.7
299.07465	0.5
313.09286	48.6
314.09348	1.0
327.07343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06565	0.6
54.02531	0.5
54.12295	0.5
59.01387	1.2
65.68960	0.6
66.71023	0.5
69.90601	1.0
69.90920	0.8
71.01382	7.2
73.02938	2.5
85.02952	3.4
89.07800	0.5
92.02689	0.6
95.01377	0.9
99.00872	0.7
101.02428	3.6
104.97860	0.5
107.05026	100.0
108.05354	1.2
113.02431	3.3
144.02911	0.5
151.04002	94.6
152.04349	1.1
159.02951	0.6
161.04572	2.3
164.78142	0.5
179.43372	0.5
197.04488	0.6
207.03156	0.7
221.97681	0.6
272.32333	0.5
313.09274	52.0
314.09613	1.3
635.87653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01377	2.2
60.99303	15.8
61.98817	1.3
63.00611	0.3
69.34321	0.6
69.34705	0.7
71.01376	0.8
73.02919	0.4
78.95904	2.9
85.02914	0.4
87.00877	0.8
88.00424	0.3
88.98804	100.0
89.02442	6.8
89.41841	0.3
89.99117	0.4
96.96007	0.3
96.96951	0.3
97.02946	0.3
101.02471	0.4
105.01907	0.5
105.03414	0.3
113.02438	0.3
125.02454	4.3
137.02420	0.5
152.99582	1.2
161.02432	2.3
161.06100	0.4
169.01379	0.6
201.11351	0.8
209.11815	2.7
227.12886	0.4
254.64078	0.3
269.04648	0.8
287.05563	0.6
315.12344	0.6
395.14795	0.3
443.11966	0.6
449.10825	1.3
518.95282	0.4
591.26007	0.4
609.27277	1.0
641.30414	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	641.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
60.01411	0.2
60.37981	0.2
61.98827	2.1
71.01383	0.3
79.95712	1.8
88.98808	0.3
96.96008	100.0
97.95926	0.2
98.95594	1.7
98.96421	0.3
101.02451	0.2
121.02965	0.6
125.02418	1.0
137.02473	0.3
139.04080	0.4
167.03496	0.5
169.01454	0.3
177.01889	0.3
194.44884	0.2
209.04559	0.3
259.02792	48.0
260.03076	2.2
261.02216	0.7
261.04773	1.3
377.61395	0.2
379.06848	0.2
381.02951	0.3
506.08841	0.2
641.30194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25467	0.4
59.01368	1.8
60.39096	0.4
61.98827	0.4
69.03451	0.6
71.01367	0.9
73.02953	0.4
74.71763	0.4
83.01393	0.4
85.02946	0.6
86.95078	0.4
87.96455	0.4
89.02451	1.4
101.02425	1.1
120.59189	0.4
126.41843	0.4
143.03430	0.5
167.14374	0.6
182.62936	0.5
183.13889	6.7
186.30336	0.4
193.12306	1.9
211.13382	100.0
212.13759	3.1
235.08202	1.7
253.09296	3.3
379.95102	0.4
387.25507	0.7
429.20956	0.6
444.10693	0.5
447.22330	5.3
623.34070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98822	2.6
69.03453	0.4
69.59095	0.3
71.01371	1.5
73.02938	0.6
83.01391	0.2
83.05030	0.3
85.02956	0.4
87.00874	0.4
89.02443	1.1
97.02967	0.1
98.22588	0.3
101.02441	1.6
112.42623	0.1
113.02411	0.7
119.03510	0.4
133.04990	0.1
135.60452	0.1
143.03447	0.2
145.05116	0.2
155.10823	0.2
161.04515	0.9
165.12846	0.2
167.10791	0.3
167.14394	0.6
179.05661	0.2
183.13890	6.7
184.14206	0.2
193.12309	1.6
211.13383	100.0
212.13741	2.9
235.08180	1.8
253.09274	4.3
325.25351	0.3
369.24387	0.2
387.25351	1.3
405.26627	0.9
429.21341	0.7
447.22333	5.5
448.22711	0.3
597.32617	0.2
623.34296	2.1
641.35126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91466	0.9
59.01372	2.0
61.98816	4.0
67.01873	1.4
69.10944	5.6
71.01389	1.1
82.95394	0.9
87.52872	1.0
88.55918	0.9
98.21884	2.1
103.05167	0.9
109.02959	4.5
123.00923	1.9
125.02402	2.6
136.01668	2.0
137.02438	24.5
149.02527	1.1
150.03247	1.9
151.00385	5.6
151.03966	4.8
152.04662	1.8
159.04483	1.2
162.03120	1.0
164.01091	3.2
165.01920	100.0
165.05576	3.4
166.02713	15.5
167.03406	2.1
169.01366	1.1
177.01926	2.5
177.05521	1.9
178.02733	1.1
179.03488	20.1
179.07104	1.1
180.04263	53.2
181.05051	19.4
187.03949	1.9
188.04736	1.1
190.02739	1.2
192.04317	1.0
193.05078	1.1
194.05788	3.0
195.02969	2.7
195.06609	69.3
196.06967	1.6
203.03557	1.0
205.05087	5.4
210.05304	11.0
220.07417	2.0
225.07668	51.1
319.22635	1.5
329.06470	1.2
349.04944	0.9
359.11142	1.8
387.10263	2.2
387.15067	5.7
399.14221	1.1
402.12970	2.1
416.14734	1.8
417.15451	26.7
443.22327	1.0
497.20526	1.8
565.20380	2.7
580.19489	1.6
595.21802	39.8
596.22418	1.7
643.23645	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	643.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99438	0.5
51.28148	0.6
57.03447	1.5
59.01383	2.8
59.03372	0.6
61.04323	0.6
61.98819	1.8
65.15522	0.6
67.58421	0.6
71.01376	1.9
76.62990	0.7
81.03456	25.0
81.03941	1.4
82.95422	0.7
85.02940	0.9
88.72124	0.6
91.05519	0.9
93.03407	0.7
96.96018	0.9
101.02429	1.2
109.02908	0.8
109.06585	0.8
113.02463	2.1
116.92854	2.1
118.92673	0.8
123.04520	100.0
123.08181	2.8
124.04864	2.0
125.02430	2.8
133.06592	4.9
135.04521	23.6
147.04324	0.6
161.06055	3.5
165.09212	2.8
166.82634	0.6
177.05589	5.6
183.10237	3.3
195.10291	2.5
237.11334	1.5
246.03214	0.7
257.15414	4.7
265.12344	1.7
283.13364	4.8
301.14435	49.5
302.14703	2.0
307.42477	0.7
319.15482	75.0
320.15851	3.8
333.16870	0.7
340.41342	0.7
340.93787	0.7
343.15414	4.2
435.77765	0.7
463.19754	1.2
481.20789	34.8
482.21118	2.6
643.26019	76.0
644.26636	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	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83685	0.5
59.01377	5.4
61.98825	2.6
69.03462	1.3
71.01374	3.9
73.02919	0.8
77.18734	0.6
80.02669	1.2
81.03465	1.6
83.01383	0.9
83.05025	4.4
84.02156	0.8
85.02952	1.2
87.00871	0.7
89.02435	3.4
91.67332	0.6
92.54117	0.7
95.04999	0.6
96.95992	1.3
98.22666	1.5
101.02415	3.8
108.34900	0.6
113.02436	2.0
125.02460	1.2
125.09690	0.6
136.86638	0.6
139.00348	0.7
148.21321	0.6
153.12862	1.5
161.02393	0.6
161.04538	1.7
163.11287	3.3
165.12849	1.9
169.12341	5.8
171.10252	1.5
181.12245	0.7
185.23372	0.7
191.10672	1.2
197.11819	100.0
198.12128	1.8
199.13364	0.7
201.11490	3.4
201.13107	0.6
207.10214	0.6
209.11818	95.9
210.12166	2.6
211.13419	2.0
213.14003	0.9
223.13425	3.8
227.12868	17.5
235.08205	4.5
235.13408	1.5
241.25540	0.7
247.17862	0.7
253.09286	10.5
254.09863	0.8
389.23398	1.0
425.15149	0.6
433.20813	3.9
445.20779	1.8
459.22119	1.1
497.20673	1.2
599.30975	1.2
607.31750	1.2
622.52234	0.7
625.33545	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	644.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
61.98828	100.0
71.01399	0.3
89.02479	0.2
125.02464	0.4
126.91160	0.2
137.02502	0.2
138.65137	0.2
160.84248	0.4
197.16873	0.2
217.00386	0.2
234.14461	0.3
277.83130	0.2
390.40082	0.2
522.09296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82297	45.0
70.32262	100.0
72.14831	44.7
77.83161	53.3
98.22700	56.0
116.36285	45.3
121.18840	49.6
132.42096	43.8
259.05151	47.9
270.37244	51.7
307.45255	50.3
312.85233	45.1
437.31931	47.3
533.02625	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	10.8
69.26263	18.3
71.90826	3.5
83.01417	3.4
109.02943	8.2
109.15604	3.2
121.02944	5.2
123.00831	5.5
124.01746	3.7
125.02437	100.0
137.02454	21.6
139.03963	13.8
147.34334	3.7
149.02394	8.3
151.03937	5.9
165.01892	14.1
167.03464	12.6
169.01482	6.2
175.04015	8.0
177.01932	67.2
177.05620	4.2
178.10330	3.6
179.03485	11.2
219.06548	6.7
221.04578	5.0
243.02927	6.2
245.36751	4.5
255.02980	12.4
256.03677	5.1
257.04614	4.4
261.04260	4.2
261.07651	4.9
283.02386	10.7
285.03745	4.8
293.12424	3.8
297.04010	8.9
303.05029	7.3
305.06674	41.6
423.07217	69.4
441.08218	40.9
483.09592	8.9
609.12421	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	645.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73954	1.3
55.06279	1.4
57.03449	9.2
62.94590	1.3
64.52222	1.3
69.63549	3.6
71.01387	1.7
81.03436	3.0
83.01377	2.2
92.02754	1.4
93.03466	3.5
95.05042	2.2
97.02943	1.5
98.22602	3.1
106.98618	1.3
109.02947	9.3
111.04501	4.9
121.02958	5.9
123.00867	2.6
123.04520	3.5
124.01640	3.7
125.02441	100.0
125.27772	1.4
133.02924	2.2
135.04506	2.0
137.02441	27.7
138.03188	1.7
139.04027	13.2
149.02429	7.7
151.04027	3.9
161.02441	2.9
163.00272	3.3
163.03981	3.3
164.01125	3.4
165.01927	17.1
167.03461	15.4
169.01430	3.3
175.00325	3.2
175.04047	6.5
176.01291	1.6
177.01915	74.0
178.02307	1.5
179.03473	11.4
179.24763	1.4
187.04008	3.9
189.01958	1.9
191.03389	1.7
191.07092	2.1
199.38379	1.5
201.05566	1.7
203.03549	3.3
204.04198	1.7
211.04060	1.8
213.05574	1.8
215.03555	2.3
217.05063	2.1
219.02988	1.6
219.06561	8.7
221.04567	5.4
227.03404	1.4
229.05051	4.0
243.02968	4.1
255.02882	12.9
256.03604	3.9
257.04492	2.2
261.03992	2.2
261.07776	1.8
273.04041	6.7
283.02533	8.4
285.04004	3.4
297.03958	5.7
301.03491	3.2
303.04953	9.8
305.06656	54.8
306.06958	1.7
315.05011	2.5
397.09418	1.9
423.07184	58.0
441.08209	44.4
442.08588	2.2
483.09396	10.3
591.11078	2.3
607.11090	2.3
609.12433	29.5
614.02216	1.6
645.10657	2.8
645.27692	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17893	0.3
58.02972	6.6
59.01375	5.4
70.02979	5.3
70.25809	0.4
70.26146	0.6
71.01376	0.5
72.00900	1.5
72.04532	2.0
74.02470	36.2
98.02473	7.8
101.02407	0.5
106.19670	0.3
116.03545	11.1
116.05054	13.5
130.06590	1.5
130.72943	0.3
142.06612	3.3
159.09262	3.0
183.09306	0.9
186.05663	0.9
201.10274	3.1
203.08247	38.9
204.08589	0.9
205.60004	0.3
207.03020	0.3
242.85689	0.3
245.09294	100.0
246.09654	3.6
269.10056	0.4
273.00507	0.4
305.24081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18880	1.0
58.05152	0.9
59.01375	25.8
61.61538	0.9
61.98826	3.2
71.01376	8.7
71.44030	1.2
73.02954	4.7
73.79914	0.9
78.95846	0.9
79.05510	1.1
82.95390	1.4
83.01382	1.1
85.02958	3.3
87.00883	1.3
89.02453	3.7
95.01400	1.2
95.04993	0.9
96.84928	0.9
96.96010	2.7
98.59099	0.9
99.00880	2.2
101.02480	4.5
107.72212	1.0
109.02972	1.0
113.02452	5.8
119.03545	1.3
120.04584	1.4
121.02968	1.2
121.05331	2.9
122.06130	6.1
123.00806	1.0
125.02452	5.4
134.06082	2.4
135.06862	1.7
136.07678	11.0
136.99969	1.1
137.02457	2.2
139.04019	1.3
146.06171	0.9
151.07660	1.6
161.04514	2.1
161.07191	1.3
165.01933	2.6
169.01425	2.2
169.55423	0.9
171.11766	1.5
180.04282	1.2
195.06612	2.3
198.09099	1.8
199.09924	2.6
203.05849	1.9
209.11803	1.4
211.13344	4.9
214.12367	9.8
225.07573	1.4
225.11484	1.2
227.08224	1.0
229.09746	5.8
230.11877	4.4
241.09789	7.1
242.10611	14.6
256.12137	1.7
257.12939	73.6
258.13330	2.6
301.11908	100.0
302.12146	3.0
315.13510	1.1
343.12814	4.8
387.16125	1.0
397.13849	2.6
404.30905	1.0
415.14420	1.1
514.11676	1.1
541.26086	1.3
543.28369	1.8
559.27979	1.2
585.29456	1.3
609.27484	2.3
613.23389	1.4
645.24512	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	645.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.2
61.98831	7.0
66.92409	0.7
71.01379	2.2
71.54539	0.9
73.02935	1.3
79.11530	0.8
82.95416	11.8
83.01393	0.8
89.02422	1.8
95.01406	0.9
95.05031	1.2
96.96012	1.9
101.02449	1.6
109.07896	0.7
109.37476	0.7
113.02447	1.5
115.80382	0.8
120.04538	1.3
121.05344	1.8
122.06125	5.2
123.00910	1.3
123.04499	0.9
125.02435	4.9
134.06116	1.9
135.06938	0.9
136.07686	9.9
137.02422	2.7
144.04498	1.2
148.07719	1.4
161.07166	0.9
165.01991	3.9
165.05638	0.9
167.03429	1.7
169.01538	1.5
171.11690	1.6
177.01918	1.3
180.04335	1.7
192.00600	2.3
193.01454	1.5
195.06627	2.4
198.09233	2.1
199.10127	1.7
203.05882	3.1
214.12392	10.2
226.07225	0.9
227.08203	1.8
229.09764	3.7
230.11896	4.3
241.09819	7.5
242.10594	16.4
256.12338	0.9
257.12952	78.3
258.13263	3.2
273.07416	1.0
285.03989	2.6
287.09152	1.0
301.11929	100.0
302.12244	4.0
305.06329	1.0
317.10196	1.7
343.12988	3.9
360.30289	0.9
559.27448	1.2
601.27417	1.4
645.18469	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	645.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01387	4.0
61.98819	1.4
71.01375	1.8
71.45197	0.8
73.47408	0.6
75.47701	0.7
82.95422	5.7
84.04548	0.6
84.95116	0.8
85.02984	0.7
89.02406	0.7
95.05033	1.2
96.96011	3.3
97.01710	0.6
101.02409	0.7
105.04645	0.6
110.06115	15.1
113.02436	0.8
122.06112	17.7
125.02448	3.2
143.55174	0.6
144.04565	3.4
145.05286	0.9
147.03217	0.9
169.01456	1.4
171.10289	1.0
181.95799	0.7
189.04274	5.4
198.09250	1.3
199.09776	3.5
201.11317	3.0
207.10138	0.7
209.11760	4.6
212.10776	0.6
223.08862	0.7
225.11183	1.0
226.07465	1.1
227.12802	1.2
228.09030	1.6
239.11855	7.2
241.09801	51.1
242.10229	1.8
243.11522	1.1
255.11337	2.2
256.12152	32.1
257.12653	2.0
259.22141	0.6
265.13406	2.1
267.11349	8.6
285.12415	12.0
300.11154	6.4
301.11816	1.8
311.10312	0.9
315.13480	100.0
316.13831	4.6
329.11404	3.7
435.18640	0.8
507.24084	1.0
525.25012	3.1
609.29169	0.7
627.30450	1.1
645.31305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81725	1.3
52.54053	1.1
53.51420	1.1
57.03428	1.9
58.11105	1.2
59.01377	53.4
61.98825	1.7
68.77232	1.2
69.45408	1.2
71.01018	1.4
71.01379	22.3
71.43487	1.6
73.02934	3.4
81.03436	2.3
83.05015	3.3
85.02929	5.3
88.98778	1.6
89.02442	20.4
93.03467	2.2
95.01382	1.4
96.96008	4.2
101.02438	12.4
107.64797	1.4
108.02151	1.5
109.02931	1.8
113.02451	12.7
119.03527	9.5
122.03711	2.5
123.04520	14.7
123.08152	1.4
124.01627	3.0
125.02431	9.2
135.04518	2.6
137.02434	4.0
139.11282	1.5
143.03514	2.3
146.61591	1.4
149.04494	1.2
150.18861	1.1
153.01770	2.1
161.04514	4.3
161.05983	2.4
169.01395	2.7
177.02000	2.1
179.05608	9.9
179.07123	3.5
192.00633	3.6
207.02942	2.5
234.01680	1.6
241.16170	1.4
241.69591	1.6
259.17084	8.4
269.28558	1.3
277.18106	8.2
285.04025	14.4
285.14893	6.2
303.16003	35.9
321.17038	100.0
322.17334	5.1
327.07172	5.4
345.16974	3.7
352.90674	1.4
421.22464	2.3
447.09174	7.6
465.21399	2.8
483.22275	27.6
541.26550	21.0
559.27600	7.8
601.28583	4.7
627.25989	1.9
645.27625	90.1
646.27783	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	645.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13729	0.7
55.01876	2.9
56.77266	0.6
57.03448	2.8
59.01379	100.0
69.03476	1.4
69.15247	3.4
69.15652	1.1
71.01379	39.1
72.99315	2.0
73.02946	19.1
75.00865	0.8
81.03455	1.7
83.01385	9.8
85.02946	20.8
85.03459	1.2
87.00879	4.5
89.02446	11.4
95.01394	3.8
96.96016	0.8
97.02939	4.5
99.00875	6.3
101.02442	34.6
102.02809	1.0
109.02983	2.3
111.00892	1.8
113.02451	22.2
115.04031	1.1
119.03534	3.2
123.00838	0.9
125.02456	10.5
127.04016	0.8
131.03539	1.4
137.02487	2.6
138.03287	0.7
143.03499	6.1
144.34537	0.8
151.04085	0.8
153.05608	0.8
153.09274	0.8
155.03612	0.7
158.81390	0.8
159.03012	1.9
161.04544	14.8
161.05785	0.9
162.87563	0.8
165.01962	2.8
166.42000	0.7
167.03525	2.1
169.01527	1.0
177.02008	1.4
179.03534	0.8
179.05647	3.3
195.06601	1.2
203.05699	2.1
214.73572	0.9
221.06760	2.1
225.07813	1.1
231.06642	1.0
245.06606	1.3
251.28322	0.7
263.07971	1.6
273.07822	1.0
305.06506	1.9
311.15036	4.6
317.06808	2.6
353.16214	1.8
379.21451	0.8
397.22366	5.5
455.19202	10.1
473.20334	8.6
497.20203	5.2
515.21307	42.1
516.21515	4.0
541.26520	23.7
542.27307	3.0
557.22369	9.5
557.30176	0.8
559.27576	22.1
560.28027	1.0
582.76276	0.7
593.91266	0.8
601.28522	8.8
602.29071	1.2
615.18304	1.1
645.21124	1.1
646.20331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.8
59.01365	0.7
62.50784	0.3
69.03447	0.6
69.06492	1.0
69.06895	1.6
71.24768	0.3
72.99300	0.3
80.02650	0.4
81.03458	1.7
83.01366	2.1
87.00877	1.0
93.03450	1.1
95.01373	0.8
95.05028	1.6
96.95996	0.5
97.02948	1.7
107.05027	0.5
109.02950	7.0
111.00859	0.5
111.04520	5.5
121.02919	1.7
123.00872	3.3
123.04528	1.0
124.01678	2.3
125.02443	54.9
126.02755	1.0
133.06616	0.5
135.04526	1.4
137.02443	18.5
138.03220	1.0
139.04015	12.1
149.02452	0.9
149.06097	0.7
151.03978	1.7
159.04538	0.9
161.02446	1.6
161.06216	0.4
163.04036	0.7
164.01128	4.0
165.01923	12.5
166.02699	0.5
167.03500	12.9
169.01469	0.5
175.03963	2.0
176.04720	0.7
177.01892	4.1
177.05547	2.6
178.02632	1.0
179.03493	11.8
180.03851	0.4
181.05115	0.6
187.03960	0.7
188.97151	0.4
191.07121	1.5
201.05586	0.8
202.95119	2.0
203.03549	2.2
204.04279	1.5
217.05104	0.8
217.08629	0.4
219.06618	8.9
221.04544	4.3
227.03464	0.4
229.04974	0.6
237.07684	0.7
243.06575	0.4
244.96155	1.5
245.04524	0.5
255.02972	0.6
261.04056	0.7
261.07681	3.2
263.42041	0.4
273.04004	1.3
287.05582	0.4
303.05200	0.9
304.90598	1.3
304.98398	2.1
305.06650	100.0
306.07004	3.5
310.99701	0.9
338.57855	0.4
341.00681	0.4
341.10480	0.4
343.02209	1.4
423.07004	1.2
441.08276	1.2
461.02765	0.4
479.03998	1.2
609.12537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03452	1.1
59.01112	1.0
59.01381	13.0
68.03127	0.6
69.03461	1.1
69.28921	2.5
69.90646	0.6
71.01381	8.6
71.05011	0.8
73.02947	2.4
81.03477	0.6
83.01397	1.7
85.02948	4.0
86.00101	1.5
87.00886	1.5
89.02444	1.5
95.01389	0.9
96.96052	0.9
97.02979	1.2
99.00893	1.4
101.02437	3.6
101.99995	0.5
103.62408	0.5
106.21142	0.6
109.00336	0.6
109.02975	0.8
109.49216	0.6
111.00862	1.2
112.01687	1.2
113.02460	3.1
123.00860	0.7
123.04533	0.7
124.01688	1.6
125.02457	3.6
125.61451	0.6
138.03262	0.7
141.01819	0.6
143.03481	1.2
153.01891	0.8
159.34549	0.6
161.02516	0.7
167.03424	1.1
177.02029	0.7
219.13918	2.2
224.06816	0.6
234.81664	0.5
235.13300	0.7
237.14949	60.9
238.15323	2.1
249.14996	1.8
261.15009	2.5
279.16058	1.8
307.15631	2.1
321.17136	1.0
322.17487	1.1
323.17789	0.7
351.18005	0.7
381.19186	33.2
382.19708	1.2
399.20233	70.3
400.20547	3.4
402.44534	0.6
441.21317	100.0
442.21744	3.9
451.12546	2.3
543.24701	2.6
561.25336	1.0
595.70392	0.6
603.26532	3.1
647.28406	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.2
62.86470	1.1
69.38734	5.1
70.15968	1.0
70.99025	1.0
71.01379	4.4
73.02979	1.7
81.03481	1.2
82.49216	0.9
85.02954	2.0
85.43670	1.0
87.00904	1.3
96.95996	3.8
101.02445	3.0
106.06615	2.1
108.04559	1.6
110.06108	2.6
110.96349	1.0
113.02438	1.3
116.92921	1.4
117.17748	1.3
120.08170	2.6
121.05372	2.2
122.06126	25.0
125.02431	3.7
127.01186	1.1
134.06117	4.6
136.07683	3.9
152.07172	3.0
160.06416	7.1
160.07693	4.7
162.09261	3.4
164.97408	1.0
165.05614	1.2
169.01361	2.0
180.06683	10.4
185.11670	1.3
192.00620	2.0
201.11359	6.4
209.11841	6.0
213.10318	30.4
225.10272	4.9
226.11192	3.0
237.10344	1.3
238.11095	5.4
239.11896	11.1
241.13461	23.5
242.12296	1.5
251.11906	3.4
252.12640	1.2
253.09624	5.5
253.13519	3.7
255.11346	1.9
265.09967	1.4
265.13461	5.2
266.10556	10.3
267.11426	4.2
267.15054	8.9
269.13275	1.4
281.12955	28.1
282.13559	4.3
285.12430	100.0
286.12833	2.3
325.11957	21.4
326.12656	2.7
358.15677	5.0
370.15851	1.2
372.17303	2.9
386.18726	5.4
387.19446	3.2
399.20114	1.3
404.17947	1.3
420.19031	1.5
430.17538	1.6
447.17828	1.5
448.19070	5.7
462.20282	3.1
465.18954	3.3
466.19824	7.7
480.21371	39.8
481.21921	2.8
509.25345	2.3
527.26367	3.6
541.24640	1.5
543.28070	3.5
553.24554	14.7
554.24731	1.6
571.25604	98.3
572.26025	5.5
585.26764	3.3
603.28223	50.1
604.28558	3.1
629.25751	2.8
647.25812	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	647.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51805	1.6
53.01055	1.6
55.01870	3.6
57.03439	3.8
59.01377	100.0
60.01717	2.0
61.98809	5.4
69.03470	2.6
69.49937	3.0
69.50296	4.7
71.01377	56.7
73.02946	21.4
75.00870	1.9
81.03443	2.0
83.01381	10.8
83.05000	1.7
84.95092	1.5
85.02943	27.7
87.00872	7.9
89.02440	8.5
95.01373	7.2
96.95978	2.1
97.02938	5.9
99.00871	6.8
101.01783	2.5
101.02444	46.9
109.02941	5.3
111.00883	2.3
113.01686	1.2
113.02439	30.3
116.92847	4.7
119.03491	4.6
123.00826	1.6
123.04495	3.0
125.02440	26.9
135.04517	1.5
137.02446	3.3
138.03174	3.3
143.03491	5.8
145.03021	2.0
151.04021	1.6
153.05664	1.8
159.02930	4.2
161.04552	26.1
167.03430	3.1
169.01422	21.2
177.01927	6.0
180.99551	1.7
189.01892	6.1
190.02608	2.5
191.03410	1.6
193.92767	1.7
201.11343	4.2
203.05418	2.2
209.11678	1.9
217.01416	4.9
226.00304	1.4
235.08148	1.7
245.06604	1.6
263.07629	1.6
264.78195	1.4
266.15143	3.5
281.17453	1.8
341.06534	6.2
343.08246	1.7
345.31219	1.7
399.23865	15.5
441.25476	2.2
457.18979	1.6
477.11716	2.1
485.27133	2.2
495.12875	10.2
543.28070	94.6
544.28381	8.0
561.29077	71.8
562.29150	4.3
603.30194	49.2
604.30835	3.7
660.59540	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	647.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.9
57.03434	3.6
57.10928	0.8
58.00574	0.8
59.01377	93.0
61.98819	1.7
65.34990	0.8
69.03442	1.3
71.01379	50.7
72.99314	1.6
73.02949	16.5
75.00874	1.4
78.39227	0.9
81.03472	1.1
82.95431	1.1
83.01388	7.5
83.61258	0.8
85.02943	23.4
87.00865	3.1
88.98796	0.8
89.02441	18.7
95.01382	5.4
96.95998	1.7
97.02963	2.2
98.22583	2.4
99.00880	5.5
101.02438	26.8
109.02956	1.6
111.00877	1.5
113.02440	24.8
116.92799	1.0
119.03496	5.6
122.06113	2.1
124.01648	2.3
125.02441	7.2
129.01892	1.7
136.07703	0.9
140.38608	0.8
143.03490	4.5
149.02434	0.8
159.02962	2.7
161.02483	1.9
161.04585	8.2
165.01826	0.9
167.03481	1.0
169.01454	2.8
177.01927	0.8
179.05637	2.4
185.11877	1.1
186.51575	0.8
192.00681	4.8
201.11331	3.0
207.02946	3.4
211.13391	2.5
227.12872	1.9
229.14281	1.0
237.57330	0.8
239.83269	0.7
243.10878	1.4
257.12799	2.7
258.13220	1.6
259.13599	1.3
265.13449	1.1
285.04132	0.9
301.03650	1.8
301.11942	2.4
302.12161	3.2
303.12485	1.3
381.22702	2.7
399.23810	7.9
480.21344	1.2
507.25745	1.5
543.28113	100.0
544.28455	3.4
561.29108	74.1
562.29376	2.7
571.25403	1.4
584.11304	1.6
586.26947	1.0
603.30035	15.1
611.23102	2.9
629.24530	1.0
647.25885	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	647.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
64.15599	1.1
68.61979	1.0
70.30275	1.7
70.72033	0.8
81.13621	0.9
84.09637	1.1
89.51648	1.1
122.03749	2.2
135.04492	3.4
136.05280	3.5
144.21344	0.9
148.05299	1.6
149.06097	2.7
155.35548	1.0
162.06851	4.5
163.04005	3.4
175.03922	1.1
191.07120	1.3
271.06079	5.7
279.54138	1.0
287.20145	10.6
303.23328	7.1
315.19687	40.8
315.23236	4.1
316.20135	2.6
331.26376	16.6
343.22696	15.0
397.27505	1.1
438.23962	1.7
466.27191	4.2
473.28876	1.0
619.47803	2.2
647.46796	100.0
648.47058	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	648.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.4
59.01370	7.3
61.98824	39.3
69.24585	7.3
69.24991	2.8
71.01378	3.5
83.01373	3.1
93.03447	18.3
101.02434	2.5
109.02955	4.5
116.92890	1.9
124.01672	3.5
125.02442	78.5
137.02441	41.4
151.00357	6.7
151.03978	3.6
152.01141	12.0
153.01927	5.1
161.04758	1.8
167.03528	3.5
169.01424	2.8
174.03307	2.2
175.03954	2.5
177.01952	5.5
178.99847	4.2
201.11316	4.3
209.11772	4.3
217.05106	12.7
220.64520	2.2
231.83313	2.0
241.05060	2.3
259.06058	13.7
285.04028	20.1
303.04984	5.3
429.08365	2.6
447.09244	2.9
465.10498	1.9
567.11188	6.2
585.12408	100.0
586.12732	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	649.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82331	1.0
69.82690	0.4
71.10020	0.3
74.79684	0.3
81.84924	0.3
91.05492	0.3
93.03450	1.5
105.03451	0.5
107.05000	0.8
108.02146	0.4
109.02934	1.2
112.58501	0.3
121.02946	1.4
121.12994	0.4
123.04504	1.2
125.02447	0.7
133.02945	0.4
135.04492	0.4
137.02409	2.9
139.04028	0.7
145.02928	0.7
149.02415	3.4
151.03986	3.8
153.01906	0.6
161.02458	0.7
162.03186	0.8
163.03973	0.8
164.01140	1.1
165.01917	8.0
173.02419	0.4
177.01921	0.4
179.03429	1.7
188.41420	0.3
189.01965	0.6
190.02682	0.4
191.03535	0.7
192.00630	1.6
193.01408	95.3
194.01762	2.7
195.02972	0.9
206.02211	1.0
207.02971	6.9
223.02507	0.7
232.99382	2.6
235.02480	9.9
265.03430	0.4
275.00507	0.9
313.05630	100.0
314.05969	3.5
325.02087	0.4
381.01007	0.9
409.00491	4.1
410.00781	0.5
451.01358	0.4
464.03961	0.4
529.04633	4.5
530.05029	0.4
649.09534	4.7
650.09277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58450	0.2
57.03462	0.2
59.01374	2.3
61.98811	0.7
68.32523	0.2
68.99572	0.6
69.03444	0.4
69.23785	0.5
69.24182	0.3
71.01369	1.1
73.02938	0.4
75.26444	0.2
78.95896	1.5
79.95735	3.1
82.95444	0.2
85.02940	0.6
89.02451	0.6
89.34006	0.2
95.97667	0.2
96.96007	100.0
96.96882	2.7
98.21877	0.4
99.00897	0.2
101.02437	0.7
103.04025	0.3
107.01413	0.2
108.02177	0.7
109.02930	0.4
112.98554	0.8
113.02440	0.5
119.03510	0.2
125.02441	1.7
135.00893	0.3
136.66628	0.2
137.02428	0.2
150.03358	0.2
152.01152	0.9
153.01910	0.3
161.02458	0.5
163.06149	0.3
168.00513	0.2
169.01414	0.5
171.10149	0.2
182.99695	0.2
185.29292	0.2
201.11284	0.4
208.97670	0.7
209.11781	0.2
211.13327	0.2
225.00655	0.3
227.12840	0.2
243.06575	0.3
249.98100	0.2
250.98654	1.0
307.10474	0.2
307.15451	0.3
323.14810	0.3
353.01971	1.5
361.25882	0.5
413.03958	1.8
435.19022	0.2
443.11868	1.1
459.63779	0.2
541.08630	1.2
544.28802	0.3
545.28998	0.3
563.30194	0.3
649.14325	0.4
649.27411	0.7
675.69073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44489	1.3
59.01379	100.0
60.42580	1.2
61.98828	2.1
69.03481	1.9
71.01381	31.3
72.99306	1.4
73.02946	18.3
83.01380	7.5
83.26353	1.4
85.02949	13.9
86.46819	1.6
87.00867	5.5
88.98860	1.5
89.02441	14.7
95.01378	2.5
97.02929	2.3
99.00874	4.9
101.02438	29.7
104.40211	1.4
112.48214	1.3
113.02457	18.4
116.92858	17.8
119.03519	7.8
122.59969	1.3
125.02414	6.8
128.43626	1.5
131.03517	4.8
143.03479	5.9
149.04579	3.8
161.04552	15.0
169.01363	2.9
179.05617	13.7
203.05588	11.9
221.06647	14.1
232.64705	1.4
239.27638	1.4
249.14684	1.6
263.07678	18.2
305.08731	3.7
327.10034	1.7
359.82190	1.6
380.91595	1.8
459.22473	5.1
477.23141	9.9
501.23297	2.0
519.24451	33.0
520.25226	2.8
561.25562	8.3
649.28430	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	649.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99297	1.0
51.27378	1.0
59.01381	12.6
60.00359	1.2
61.98831	2.1
71.45340	1.2
73.42802	1.1
73.83214	1.0
78.95905	2.0
85.01254	1.0
87.64002	1.1
94.02995	2.6
96.96014	30.3
96.96960	2.2
103.42728	1.1
108.02200	3.7
108.04566	2.8
109.02979	1.4
110.06100	1.6
120.08193	1.5
122.06113	4.7
123.00821	1.7
123.04488	1.4
124.01679	3.5
124.04002	2.4
125.02448	3.5
126.06841	1.1
136.04027	2.3
137.04858	1.5
138.03262	1.4
138.05617	4.6
147.05624	2.5
149.71552	1.1
150.03137	1.9
150.05585	2.3
167.03439	2.1
169.01292	1.5
186.13054	1.7
201.10347	16.4
202.12358	1.2
212.10931	1.3
213.10350	6.4
215.11862	2.2
217.09535	1.3
227.11781	1.4
229.09804	21.9
229.13300	8.9
239.11891	8.0
241.09908	2.7
245.12976	3.8
247.10872	4.7
255.11343	2.7
257.12906	8.5
265.14450	3.5
267.02322	1.2
273.12463	2.4
275.14081	3.1
281.13898	7.4
283.14529	4.6
289.11902	5.2
289.14636	2.4
301.11972	22.4
301.15204	1.3
307.15448	8.5
319.12955	96.8
320.13248	4.0
325.16568	11.4
374.15091	1.8
451.12271	1.4
453.13068	2.0
464.18353	1.3
469.20627	2.5
487.21896	12.6
545.23895	2.4
551.21436	2.1
561.27289	4.6
575.25171	3.2
587.25055	13.3
589.15546	2.1
600.66766	1.3
605.26147	100.0
606.26740	8.2
649.27435	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	649.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26345	0.5
56.35792	0.5
56.87991	0.5
57.03448	0.7
59.01376	7.4
69.42696	2.3
69.43101	0.9
71.01383	1.7
71.05011	0.9
79.25302	0.5
81.44793	0.5
83.01386	0.7
88.98781	0.6
108.02160	2.3
109.02953	1.3
113.02449	0.6
121.02960	2.4
122.03728	1.7
123.04484	0.7
124.01662	20.7
125.02439	2.1
134.03722	2.9
137.02472	1.8
138.03249	3.6
151.03995	0.8
151.69003	0.6
219.13913	0.9
221.15405	0.9
223.13354	1.2
229.12288	0.8
235.13310	1.0
235.17058	1.0
237.14861	3.5
245.15491	5.7
247.13361	6.8
248.13885	0.8
261.14935	2.2
262.15753	2.2
263.13074	2.0
263.16507	34.3
264.13593	2.4
264.16754	1.0
265.14435	100.0
266.14774	3.7
289.14441	12.0
306.14444	0.9
307.15494	16.7
308.15448	0.7
324.15707	2.0
325.16547	36.2
326.16849	1.0
331.15427	3.5
335.12558	0.9
426.70157	0.6
427.19781	4.6
451.19962	0.9
469.20706	6.8
487.21832	82.7
488.22113	5.1
511.22150	0.6
529.23102	0.9
649.27148	42.7
650.27393	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96584	0.4
59.01378	3.0
65.33134	0.3
66.40347	0.4
67.12909	0.4
69.11727	2.5
71.01374	1.1
83.01395	0.5
84.95128	1.0
85.00448	0.5
88.98784	0.4
89.02433	1.1
89.62778	0.4
90.93473	0.4
95.01415	0.6
96.02171	0.9
98.22620	0.7
101.02435	0.4
108.02164	4.1
110.00101	0.6
111.00917	1.0
116.92867	0.4
121.02966	1.2
122.03770	1.2
123.00893	1.2
124.01663	15.7
125.02433	0.5
134.03749	0.6
137.02368	0.6
138.03255	0.5
139.00372	5.7
141.81938	0.4
150.03223	1.3
152.01190	1.1
153.01950	0.5
164.04805	0.6
181.15973	1.1
182.66960	0.4
205.16098	0.6
217.15929	0.5
223.16957	0.6
225.15070	0.8
233.15421	1.2
235.13519	0.5
237.11327	0.5
237.15010	1.2
243.13890	1.2
244.66591	0.4
245.15445	3.5
251.16489	0.9
259.13318	0.4
261.14917	5.7
263.16571	1.1
271.13446	2.2
277.14410	7.2
279.15851	1.9
287.12973	1.2
289.14447	9.8
290.14795	0.6
291.16080	0.7
295.15491	10.9
305.13916	1.7
307.15485	87.3
308.15857	3.5
309.17102	0.8
323.14960	100.0
324.15622	15.0
337.16516	1.9
349.16528	3.9
469.20807	1.7
486.20975	11.8
487.21719	1.6
611.77698	0.5
649.27063	73.9
650.27216	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	649.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03790	0.8
59.01374	34.9
68.94442	0.7
69.03450	1.3
69.12843	4.7
71.01381	13.7
72.99301	2.1
73.02943	21.5
75.00855	1.5
81.03445	1.5
83.01384	0.9
83.05014	1.5
85.02952	13.0
86.00103	3.5
87.00876	19.5
87.04503	10.1
87.28867	0.7
89.02444	6.3
90.33598	0.9
98.22645	1.1
99.04521	2.0
101.02441	8.1
103.04008	7.2
109.02948	2.6
113.02454	1.5
115.04008	16.9
118.11545	0.7
118.87939	0.8
119.03494	2.5
127.03992	5.3
127.99657	1.7
131.03496	15.9
132.94641	3.0
143.03494	16.9
145.05058	7.0
163.04724	0.8
163.06113	25.6
169.12331	100.0
170.12679	2.5
187.13393	4.2
205.07164	27.4
247.08220	6.5
291.10855	1.4
309.11993	1.1
312.13922	0.8
339.25342	1.7
405.48138	0.8
479.24942	56.5
480.25488	2.8
649.37543	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	649.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.7
59.01368	2.4
67.36694	1.2
69.03451	1.5
91.31731	1.1
96.58142	1.1
98.21851	2.6
111.00900	1.4
132.94620	5.0
133.01450	1.3
221.19115	1.5
237.22224	56.1
238.22638	2.3
265.21689	15.7
271.25717	1.1
293.18329	0.9
293.21176	24.0
311.18649	17.9
331.08047	1.3
337.20200	100.0
338.20596	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25570	0.2
57.03448	15.0
59.01388	1.2
69.03422	0.3
69.17910	1.2
71.01378	0.5
77.03988	0.2
81.03452	1.4
83.01393	3.8
89.02412	0.3
89.53688	0.2
93.03455	0.4
95.05034	2.3
96.96035	0.3
98.22603	0.4
98.56938	0.2
101.02478	0.2
103.05540	0.5
105.03461	5.0
108.02190	1.1
109.02964	1.0
113.02450	0.4
119.05037	0.3
121.02972	0.8
122.03757	0.6
123.04501	1.1
124.01704	0.5
125.02444	100.0
126.02829	1.5
132.02151	0.3
133.02959	1.4
133.06583	0.3
137.02448	5.1
139.04070	0.2
147.04488	0.8
149.02443	2.4
149.06108	0.4
150.02118	0.4
150.03226	4.4
151.03932	0.5
152.01134	2.0
153.01933	0.7
158.03752	0.2
160.01654	0.4
161.02440	46.0
162.02936	1.6
163.03909	0.3
164.04765	0.3
165.01967	1.2
165.05554	5.5
166.02725	0.3
167.03482	8.0
173.06053	0.4
175.04013	0.9
177.05574	4.4
180.04221	0.3
183.04486	0.7
185.02348	0.5
191.03487	5.6
193.05075	0.5
195.06621	5.1
197.06039	0.6
199.03940	0.4
201.01863	0.5
201.05600	1.8
203.03519	0.5
213.05600	0.5
219.06609	0.7
224.04643	0.2
225.05534	1.3
227.03505	0.8
229.01411	0.7
239.07463	0.3
241.05095	0.7
243.06560	1.1
245.04539	0.5
256.07425	0.8
267.16022	0.2
269.04532	7.0
270.04852	0.3
281.13943	0.4
287.05594	13.0
288.05872	0.4
305.06686	0.6
309.17032	0.7
315.08737	3.8
321.04510	0.3
325.16580	1.1
363.10834	7.3
453.46399	0.2
485.14682	0.5
488.22318	0.3
489.14047	0.7
513.13916	1.1
633.16382	0.3
651.28070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00370	0.5
59.01368	4.1
70.33330	0.6
71.01366	1.8
73.02894	0.7
80.27183	0.7
81.53642	0.6
85.02959	0.9
89.02442	1.1
95.01389	0.8
97.02948	0.7
101.02448	1.2
107.05022	1.0
109.02919	0.9
109.06601	1.2
111.00890	0.9
119.03513	0.9
122.03754	0.9
123.00877	1.1
123.08163	1.7
124.01646	5.3
125.02466	3.9
133.06612	1.0
135.04523	0.7
136.01686	0.7
137.02444	4.1
137.06062	1.3
138.03217	7.9
139.00386	3.3
149.02390	0.7
149.06067	2.2
149.58760	0.8
150.03236	0.8
151.04018	1.1
151.07619	2.4
152.01151	2.6
153.01915	0.9
154.02780	0.6
161.06081	3.2
163.03981	2.0
163.07658	1.1
164.04807	0.7
166.02759	0.8
167.03540	3.4
167.07153	1.9
169.01451	0.9
177.02008	0.8
177.05574	23.8
179.07127	58.7
180.07474	0.9
193.05016	0.7
195.06575	4.6
199.07878	0.6
211.06107	1.5
223.06107	50.8
224.06694	0.7
227.04665	0.6
231.15462	0.6
239.05597	100.0
240.06329	9.6
253.07158	2.2
265.06949	0.6
278.37616	0.6
323.13489	6.2
385.11353	1.3
402.11676	12.7
433.65305	0.7
444.12753	14.3
445.13202	1.7
565.17889	1.3
607.18799	43.4
608.19562	1.4
647.96802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	10.7
59.01371	1.5
70.02979	4.4
70.81022	0.5
72.00893	2.8
73.32777	0.4
84.47392	0.3
88.98797	0.8
89.02477	0.9
91.05525	6.9
112.73389	0.4
125.02438	2.2
135.04556	0.4
137.02478	0.4
138.03256	0.4
147.04510	18.7
158.39969	0.3
159.09824	0.3
161.02339	0.3
162.09232	0.5
164.07149	51.9
165.07463	0.8
167.03427	0.9
169.01440	0.6
177.01947	0.7
177.09195	0.8
195.10173	0.4
206.08195	100.0
207.08542	1.5
221.08131	0.6
239.09203	2.0
250.07198	1.0
269.54364	0.3
273.93597	0.4
285.04019	0.5
307.14133	0.6
308.14377	0.5
383.00986	0.5
389.05798	0.4
401.14447	2.7
403.14804	0.4
582.26794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34638	0.5
69.53616	0.7
69.53959	1.9
78.95898	0.8
84.93869	0.6
95.80497	0.5
99.92580	6.8
100.93353	1.2
123.00887	5.7
124.01601	0.5
134.95441	0.9
150.94846	0.5
151.00362	6.7
177.01871	0.6
177.54097	0.6
190.94455	1.0
191.95146	0.9
192.95929	1.1
209.95970	0.6
219.94626	1.2
220.95415	0.8
221.92558	1.0
223.94156	0.5
232.95456	2.3
233.08047	0.7
234.93317	0.9
236.94910	2.0
246.93320	1.0
246.96989	0.9
247.94189	1.2
261.95706	0.5
261.99451	0.5
265.17963	0.6
267.06693	0.8
290.99036	0.5
291.15921	0.8
293.17477	2.1
302.02469	1.3
303.03107	0.7
316.04047	1.3
317.01004	0.6
322.05115	0.7
330.02026	0.8
330.05630	1.0
337.16339	0.7
338.06122	1.4
339.06686	0.6
340.07550	2.0
344.03397	0.8
348.10318	0.7
350.11591	0.7
356.07257	2.6
358.08759	15.0
359.09015	1.4
361.11081	1.4
363.05331	0.8
364.09735	0.7
370.05008	1.2
372.06619	6.6
376.09888	3.3
378.11386	19.5
379.11450	1.9
392.09332	6.0
393.09995	3.6
395.21570	0.5
471.10995	2.2
483.10950	1.4
487.10245	1.0
499.10626	4.9
513.13000	0.6
597.21338	0.7
608.27997	6.4
624.27692	0.9
634.25793	1.4
640.27057	1.5
652.27051	100.0
653.27338	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	653.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30630	0.3
51.43584	0.4
59.01386	3.2
63.89120	0.3
65.00305	0.5
71.01373	1.4
73.02928	0.6
85.02975	0.7
89.02438	0.8
91.01894	10.6
95.01389	0.5
96.96019	1.9
97.02971	0.4
101.02461	0.9
107.01450	0.4
107.05043	0.8
108.02171	17.8
109.02957	5.2
111.00864	0.3
113.02441	0.7
116.92915	0.4
120.99624	1.2
121.02934	1.5
123.00881	3.9
124.01674	0.8
124.08913	0.4
125.02459	2.3
135.00880	12.3
135.01912	0.7
137.02438	3.1
145.27188	0.3
148.42574	0.3
149.02426	0.7
150.03160	0.5
152.01147	13.6
153.01939	6.0
161.02406	0.5
165.05537	1.0
167.03526	0.5
168.00569	0.4
169.01387	2.0
175.03983	0.4
177.01823	0.5
192.00679	0.7
193.01335	0.6
197.06140	1.1
207.03004	1.2
211.13434	0.5
213.05551	1.3
215.07114	0.8
234.01674	1.0
235.02477	0.5
243.06599	100.0
244.06912	2.4
249.03876	0.5
249.06129	0.4
276.97559	0.4
297.06204	2.4
397.13150	0.5
405.11984	1.9
447.12936	37.5
448.13104	1.8
549.24524	0.5
567.24493	0.5
609.25458	2.1
615.09857	5.1
616.10565	0.5
617.10144	1.1
653.20300	0.7
653.30579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2447
Annotation	Eruberin C
Peak:m/z	Relative Intensity
56.10894	0.3
57.03446	0.7
59.01380	17.1
70.91917	0.5
71.01382	10.1
72.74983	0.3
72.99329	0.3
73.02940	1.1
75.96542	0.3
83.01385	1.0
85.02950	2.8
87.00855	0.9
89.02446	7.5
99.00858	0.3
101.02458	1.7
108.02142	0.6
109.02959	4.6
111.00871	0.3
113.02451	1.4
119.04993	0.3
123.04531	1.0
125.02456	2.3
147.04497	0.3
149.04588	0.5
151.03993	0.4
158.46030	0.3
159.04475	2.0
161.04538	0.4
167.03479	0.5
169.01460	2.0
171.04486	0.4
171.63257	0.3
172.05318	2.0
173.06102	2.3
187.07649	1.6
189.05576	1.7
190.06294	0.3
191.07051	0.9
192.00760	0.4
195.03070	0.5
201.05511	0.4
203.07227	1.0
221.79572	0.3
225.05666	0.5
240.04250	0.5
241.05080	3.9
253.05022	0.9
255.06670	2.3
267.06702	0.5
268.07401	1.3
269.08102	0.4
280.07544	0.6
281.08124	1.5
283.09793	1.1
295.09723	3.0
296.10577	1.6
298.08408	0.5
299.09201	2.0
310.08334	0.3
311.09393	3.6
311.12732	0.6
313.10858	4.9
322.61481	0.4
325.10818	0.8
326.11569	5.0
327.12399	1.0
329.10175	1.6
330.10367	0.4
341.13892	5.9
343.11826	1.0
344.12622	15.4
345.13077	0.8
359.14975	39.2
360.15268	1.3
491.19226	100.0
492.19519	4.9
653.23792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
56.85225	0.5
57.03443	2.5
58.00587	0.9
59.01376	24.7
59.21833	0.5
61.98819	0.8
68.99806	0.5
69.03456	1.2
69.89384	0.6
69.89706	0.9
71.01378	25.9
72.99298	5.2
73.02946	6.6
75.00861	0.7
83.01379	6.1
83.60069	0.5
85.02946	11.3
85.89114	0.5
86.00105	0.7
87.00865	6.4
88.98763	0.5
89.02435	5.6
95.01376	3.2
96.96001	1.0
97.02938	1.8
99.00880	3.5
101.02435	15.5
107.01375	1.7
109.02917	0.6
111.00864	1.6
112.01646	1.6
113.02444	9.5
119.03482	1.6
123.00842	1.5
123.04526	0.7
124.01652	1.7
125.02438	8.2
126.02800	0.4
129.17174	0.5
131.03537	0.8
135.04535	0.7
137.02437	1.4
138.03198	0.8
143.03456	1.3
146.26320	0.5
151.00377	0.5
159.03050	0.5
161.04535	2.0
165.05579	0.6
167.03462	0.8
169.01425	6.1
183.03059	0.5
189.12865	0.6
199.16924	0.8
207.13831	1.4
209.11795	0.7
225.14941	4.1
235.13420	4.1
237.15106	0.7
243.16006	0.5
245.71146	0.5
253.14458	3.2
271.15530	0.6
344.21854	0.6
369.19110	1.2
387.20224	7.9
397.18503	2.1
405.21054	0.9
415.19751	9.0
417.21365	0.8
429.21280	1.3
447.22253	1.4
549.25519	4.0
559.23755	2.8
577.24945	100.0
578.25250	5.9
591.26569	7.6
609.27600	41.9
609.35449	0.6
610.27826	3.0
615.22925	6.0
617.23499	1.4
653.27136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03447	5.3
58.00585	1.4
59.01379	100.0
69.03452	1.7
69.59739	3.0
71.01382	46.0
72.99323	1.0
73.02946	26.4
83.01379	5.5
85.02942	10.7
87.00888	2.9
89.02446	39.3
95.01382	3.7
98.22581	1.0
99.00874	0.9
101.02442	31.1
109.02957	0.8
113.02447	24.9
113.72662	0.8
119.03504	15.5
125.02464	3.9
131.03496	3.9
139.12102	0.9
143.03491	5.5
149.04536	3.8
149.09723	3.1
157.16319	0.8
161.04526	9.0
167.03581	1.0
169.01402	2.0
179.05605	12.8
207.13936	1.9
221.06641	1.8
313.11060	1.1
344.12436	2.4
359.14996	7.0
387.20215	2.6
405.21213	1.8
429.21259	1.2
468.60382	0.9
473.00336	0.8
491.19125	14.5
549.25507	41.8
550.25946	2.4
567.26447	16.1
567.34442	1.5
568.27380	1.5
609.27460	10.6
610.28241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44025	0.9
57.03444	5.7
58.00595	1.0
59.01379	100.0
63.40919	0.9
69.03445	1.1
69.75969	3.2
71.01379	39.7
73.02944	33.9
79.11858	0.8
79.53934	0.9
83.01385	7.8
85.02949	8.5
87.00870	1.1
89.02444	32.1
93.92052	0.9
95.01392	3.4
99.00909	0.9
101.02441	31.0
102.69099	0.9
105.28439	0.9
113.02448	20.3
119.03508	14.7
119.71311	0.9
125.02431	2.0
131.03482	5.3
143.03514	5.0
149.04568	6.0
149.09700	2.8
158.73654	0.9
161.04556	16.1
179.05621	15.2
207.13911	1.3
221.06635	3.4
372.60074	1.0
387.20093	1.6
447.22440	1.2
549.25574	10.7
567.25854	2.2
609.27863	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	653.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27409	0.3
57.88979	0.3
60.13634	0.3
60.58498	0.4
61.79103	0.3
63.38244	0.3
67.01862	0.3
67.41479	0.3
69.32822	0.4
70.44736	0.5
70.45071	0.5
71.01405	0.4
71.93254	0.3
72.22564	0.3
78.01099	6.1
82.99689	0.3
83.36872	0.3
88.68625	0.3
96.99301	0.8
124.98765	0.8
125.99606	2.3
137.99545	1.8
139.00381	4.2
140.01146	1.5
141.48064	0.3
151.14932	0.8
152.01118	0.4
167.14407	3.8
169.15968	1.5
181.16010	0.4
183.42165	0.3
186.16763	0.3
191.14410	18.6
192.14799	0.5
197.15483	0.8
209.11772	0.7
209.15411	0.9
211.13387	2.3
223.13391	4.1
225.14957	0.6
251.12881	11.7
252.13408	0.9
253.14441	100.0
254.14816	2.7
279.12323	2.7
281.13898	1.0
297.13406	6.3
386.97433	0.4
458.26630	0.3
459.22369	0.4
529.27771	3.0
555.25787	0.9
653.31830	0.5
679.97626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64314	0.6
59.76931	0.6
61.53843	0.6
62.96403	1.1
69.26172	1.4
69.26569	3.3
78.95899	100.0
111.49354	0.7
149.00085	5.7
164.35716	0.7
205.15945	2.6
285.12604	2.7
354.12598	0.7
355.16727	1.7
421.08029	0.7
447.13364	3.0
653.30109	34.6
654.30457	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	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03455	1.1
58.00582	0.6
59.01376	50.9
66.76761	0.2
68.99818	0.4
69.03461	2.0
69.60718	0.8
71.01377	33.8
71.60501	0.2
72.99306	1.2
73.02941	6.4
75.00868	0.7
81.03455	1.8
83.01380	4.1
83.05019	0.3
85.02943	7.8
86.00081	0.5
87.00874	8.8
87.04514	0.3
89.02440	32.8
90.79508	0.2
91.04005	0.6
93.03461	0.7
95.01385	2.6
95.04996	0.2
97.02945	6.7
98.22549	0.4
99.00874	2.1
99.04510	0.5
101.02440	28.4
103.00381	0.3
107.01391	0.2
108.02200	0.3
109.02946	0.6
111.00877	0.7
111.04501	1.2
113.02441	13.2
115.04002	0.6
118.91053	0.2
119.03492	10.0
121.02927	0.6
123.00838	0.3
123.04469	0.3
124.01666	0.3
125.02441	11.9
127.03999	0.4
129.01918	0.5
131.03476	1.1
133.05009	1.1
133.69933	0.2
137.02481	0.3
139.04005	0.9
141.01964	0.6
143.03493	5.4
149.04543	0.7
154.00684	0.2
155.03558	0.2
157.05048	0.3
161.04558	7.2
167.03517	0.7
169.05045	0.7
178.34145	0.2
179.05600	5.9
185.04584	0.8
199.06050	0.3
217.07104	1.1
219.05141	0.5
221.06654	2.4
235.08203	13.5
236.08664	0.3
237.22171	0.3
245.06648	0.8
253.09236	2.9
255.23273	98.8
256.23608	2.9
259.08234	0.2
263.07672	1.4
269.24802	0.5
277.09235	0.8
287.07684	3.6
297.24371	0.3
305.08746	5.0
310.12335	0.2
323.09909	1.7
361.11356	0.5
379.12326	1.2
397.13461	100.0
398.13815	3.0
415.14532	34.7
416.14868	0.9
533.54059	0.2
571.28796	0.8
603.08710	0.3
653.37408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17139	0.9
55.01863	1.7
55.60268	0.9
57.03430	1.1
57.76047	0.8
59.01378	54.1
61.98823	1.5
68.23325	0.9
69.03445	2.0
69.59783	2.7
69.60156	2.1
71.01378	33.6
73.02937	6.0
78.95901	2.6
81.03471	1.5
82.14018	0.8
83.01383	4.0
85.02956	8.1
87.00866	8.5
89.02441	33.0
95.01400	2.3
97.02943	5.7
99.00897	2.3
101.02443	27.2
113.02445	13.2
119.03512	10.8
125.02454	11.9
127.04036	1.0
143.03500	5.6
152.99599	1.3
161.04565	7.0
170.92580	1.0
172.33330	0.9
179.05643	7.1
184.74986	1.0
199.06151	1.3
209.49951	0.9
217.07152	1.7
221.06612	1.8
235.08211	13.6
253.09238	2.4
255.23286	99.6
256.23251	2.0
259.82455	1.1
269.24585	1.2
277.09470	1.4
279.23233	1.8
287.07724	3.8
295.22784	2.0
305.08807	4.9
316.12030	1.0
323.09723	1.6
339.20651	1.0
361.11462	1.1
397.13486	100.0
398.13879	2.3
415.14548	39.0
595.28809	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	654.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39943	0.1
59.01382	0.2
60.32740	0.1
61.98826	100.0
62.98516	0.1
63.35999	0.1
64.08590	0.1
75.01635	0.1
98.21809	0.3
108.02159	0.2
124.01707	0.1
152.01169	0.2
221.15497	0.8
237.15001	0.4
249.14941	4.3
250.15514	0.3
251.16563	0.2
265.14423	9.6
266.15051	0.9
267.16171	0.3
279.16129	0.3
306.03308	0.1
347.83145	0.1
411.20200	0.2
428.20438	1.7
429.21014	0.6
591.26556	7.3
592.26740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05809	0.5
52.64904	0.5
52.96930	0.5
53.38034	0.5
71.04934	1.0
76.48698	0.7
95.63006	0.5
124.01647	1.6
125.02437	2.5
133.02934	0.7
136.01605	1.2
137.02480	0.7
138.03174	1.1
149.02403	0.7
152.01172	0.8
161.02425	3.6
162.03204	2.5
164.01143	4.4
166.02681	4.8
173.02434	1.0
177.01929	2.1
178.02766	2.2
178.99905	1.1
180.00679	0.6
189.01930	1.1
190.02695	7.2
191.03351	0.7
192.00636	76.1
193.01387	19.3
194.02182	19.1
195.02652	1.1
205.01361	5.0
206.02206	5.6
207.02972	37.0
208.03412	0.6
209.04546	0.9
220.03833	0.7
221.00946	2.5
222.01674	5.3
234.01671	23.7
235.02235	0.7
237.00470	0.9
237.04065	4.2
249.04021	11.8
276.02576	0.6
312.04846	18.8
313.05185	0.6
327.07196	100.0
328.07614	2.8
430.89319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.6
61.98823	11.1
65.84938	3.4
70.23107	2.9
71.01379	7.8
73.02946	3.4
82.95396	3.5
83.01373	3.3
85.02956	5.8
95.01384	10.6
95.77868	3.1
101.02427	5.0
108.02201	4.2
109.02927	4.3
113.02451	3.6
121.02973	7.2
122.99998	5.3
123.00890	94.0
123.04466	5.0
124.01658	54.8
125.02445	28.8
137.02409	7.4
138.03221	36.5
139.04030	29.6
145.02907	3.7
149.02367	5.7
149.06180	3.1
151.00287	3.8
153.01891	7.2
161.02432	6.7
163.03989	5.6
166.02742	3.5
167.03566	3.6
169.01416	13.8
170.98749	3.0
174.03189	8.5
177.01923	3.8
181.05133	4.4
183.39885	3.5
193.04962	3.0
206.07390	3.0
221.06261	3.8
221.11885	3.2
235.13286	6.8
237.05569	8.1
245.15404	3.5
249.05565	7.1
250.06343	3.9
251.07152	8.5
263.07324	4.3
264.07858	5.3
265.04959	9.6
265.08810	4.0
267.06567	15.7
277.04993	6.6
279.06610	19.8
279.09848	4.1
279.16019	5.4
280.07297	9.8
282.09067	5.4
293.04465	11.1
293.08121	10.1
294.05637	6.6
294.08948	36.5
305.04440	12.0
308.06866	23.7
309.07574	7.8
320.06924	15.8
321.07608	4.4
323.05679	3.9
323.09241	39.8
323.92752	3.7
324.09363	4.0
326.07742	4.1
335.09042	5.0
338.07864	9.9
339.08752	17.5
341.10187	3.9
353.10251	100.0
354.10742	3.6
387.25168	5.1
395.11221	20.5
437.12384	33.2
438.12317	3.3
449.25238	4.9
451.12625	3.1
457.24289	12.1
475.23462	6.5
483.13095	8.8
485.14435	5.9
497.14752	19.5
519.15222	6.4
619.29382	9.2
625.19232	95.4
626.19360	7.9
637.19202	70.5
637.28503	3.9
638.19641	8.3
655.20911	6.5
655.29883	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	655.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
61.98820	2.3
63.65526	0.9
69.03436	0.9
69.23738	0.8
71.01373	2.9
72.73406	0.8
73.02933	2.0
78.95905	2.0
83.01400	0.9
85.02940	1.0
89.02442	1.0
96.96005	5.3
101.02472	1.1
105.03447	1.2
109.02963	1.1
110.48965	0.9
113.02422	1.3
116.92872	1.1
121.02924	1.3
123.00914	1.2
123.04507	2.5
124.01687	0.8
125.02455	5.1
133.02942	2.6
135.00903	1.2
137.02425	2.7
138.03188	1.5
149.02431	3.6
160.01663	1.5
161.02419	4.1
162.03249	1.7
163.00336	3.3
163.04051	0.8
164.01102	3.0
165.01878	3.9
166.02705	1.8
167.03458	3.5
169.01413	3.1
176.01103	1.4
177.01953	8.6
178.02640	3.0
178.99826	1.9
179.03471	1.6
183.10236	2.2
189.01912	2.7
190.02704	5.2
190.99893	10.6
192.00638	78.9
192.84875	0.8
193.01402	22.5
193.05090	1.2
194.02133	2.8
205.01414	8.1
205.05023	1.5
206.02121	2.5
207.02974	100.0
208.03268	2.6
209.04565	1.4
221.00877	2.1
221.11774	1.1
222.01694	2.8
231.02925	1.8
232.03708	1.9
233.00974	7.5
234.01700	7.2
235.02521	1.7
248.03142	1.1
249.04022	7.2
291.05200	1.9
303.96613	0.9
309.06155	2.4
327.07007	1.4
354.05884	4.9
355.06592	1.5
356.07260	2.0
369.08188	3.7
396.06714	1.3
453.10095	1.2
471.11441	5.1
489.12473	3.9
493.17160	40.0
494.17194	2.3
623.19275	1.1
625.80560	0.9
632.87421	1.0
655.21729	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	655.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36261	0.5
57.03488	0.6
59.01379	3.4
61.98841	1.3
69.24736	2.6
71.01409	2.0
85.02946	1.3
89.02483	1.1
96.96067	0.5
98.21821	0.8
99.00912	0.6
101.02470	1.2
108.02167	0.8
113.02433	1.0
116.92897	0.7
121.02960	0.6
123.04532	0.6
124.01740	0.9
125.02433	3.8
136.01653	1.2
137.02533	0.6
138.03226	1.0
146.71042	0.5
149.02467	0.8
150.03166	0.5
161.02437	3.2
162.03235	1.8
163.00414	0.9
163.04001	0.5
164.01157	6.0
165.01950	0.9
166.02689	1.5
167.03566	0.5
167.94124	0.6
169.01436	1.7
176.01233	0.6
177.01941	2.1
178.02698	1.2
178.99879	2.5
189.01933	0.8
190.02722	4.3
190.99780	1.0
192.00644	100.0
193.01414	9.4
194.02208	4.4
205.01393	2.9
206.02211	3.0
207.02980	80.0
208.03355	2.0
209.04539	0.5
221.00856	1.6
222.01714	3.2
232.03754	1.5
234.01689	13.3
235.02332	0.8
237.04048	3.4
249.04042	11.7
276.02560	0.5
291.04977	0.7
294.03738	1.4
309.06097	5.1
312.04968	2.5
327.07224	14.6
328.07718	0.6
345.15518	2.5
405.26660	0.6
407.10251	0.5
493.16977	1.6
655.21906	21.4
656.22205	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	655.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.58791	0.4
61.98839	1.3
66.76405	0.4
69.09093	2.3
75.55954	0.4
78.95905	0.5
84.73422	0.5
96.99310	7.2
102.64787	0.4
104.42174	0.5
134.84517	0.5
140.98296	1.9
141.01698	65.5
142.02011	0.6
152.99573	1.0
190.21017	0.4
211.13380	1.3
216.92963	0.5
225.11261	0.5
225.68532	0.5
244.58298	0.4
253.09108	0.5
275.06311	1.3
277.21890	2.4
298.06033	0.5
303.16415	0.4
359.21552	1.5
359.79340	0.5
391.24652	0.5
535.27612	1.3
590.14459	0.5
595.29114	1.3
637.32397	0.7
640.36865	0.5
679.80939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57297	0.3
51.55316	0.3
59.01376	100.0
60.01711	0.5
61.98833	0.4
69.99268	0.5
69.99586	0.7
71.01379	0.7
95.02702	0.3
96.99303	8.6
97.02969	0.5
98.99389	0.4
101.00879	0.3
117.00426	0.3
139.97636	0.5
140.98283	1.5
141.01692	69.9
142.02042	0.7
188.39651	0.3
207.10265	0.7
211.13379	0.8
225.11348	0.7
253.09291	0.7
257.05142	0.4
275.06049	2.8
277.21777	2.1
317.07162	0.4
359.21201	1.5
391.19653	0.8
535.27692	2.7
536.28058	0.4
595.29559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75443	1.7
55.36702	1.4
57.03434	2.6
59.01374	30.2
61.98815	6.1
69.03463	2.0
70.98130	2.6
71.01380	16.7
72.99302	2.3
73.02935	3.5
81.03436	3.0
83.01378	2.4
83.05033	3.3
85.02956	5.4
87.00871	5.2
89.02444	9.5
95.05015	3.5
97.02961	7.9
97.06600	2.4
99.00902	2.2
101.02440	13.1
109.06589	27.0
110.03754	2.0
113.02438	8.0
119.03503	2.6
125.02443	2.0
125.09697	6.0
135.08168	3.9
141.01711	2.1
149.06059	1.7
161.04549	3.6
163.11285	18.0
165.12735	1.9
171.10295	7.6
178.28993	1.7
181.12347	4.5
183.13870	8.8
185.11803	14.4
189.09232	2.4
193.12404	2.6
197.11826	2.0
207.10254	65.8
208.10504	3.0
209.11829	12.3
211.13387	100.0
212.13751	2.7
221.15524	5.6
223.13396	2.2
225.11298	43.4
227.12877	4.6
233.11700	3.8
235.08194	9.8
235.13257	2.0
247.13332	3.0
248.88641	1.6
249.14839	2.4
251.12779	3.8
253.09245	11.9
289.16217	1.7
299.32999	1.6
311.23999	1.7
329.25021	2.2
339.23224	6.1
355.22845	3.9
357.24182	2.9
365.20862	2.0
373.23978	9.0
375.25800	2.5
383.22241	22.2
391.24771	7.2
401.18463	2.8
401.23279	40.0
419.24326	18.4
443.18958	3.2
447.22385	3.2
461.20251	13.2
475.26730	2.1
609.32513	7.6
611.30280	2.6
619.31287	11.3
637.32233	97.9
638.32410	8.5
655.33197	46.2
656.33392	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
58.26084	1.2
59.01379	28.7
61.98809	4.2
63.91796	1.1
63.98909	1.3
69.03458	1.9
69.63988	5.1
69.64347	2.3
71.01374	15.7
73.02934	3.6
73.26408	1.4
74.64276	1.6
80.02674	1.7
81.03448	2.0
83.01416	3.8
83.05027	3.1
85.02966	6.3
87.00841	6.2
89.02440	8.0
95.01387	2.1
95.05028	2.3
97.02964	8.3
97.06594	2.8
99.00865	2.8
101.02438	13.5
109.06590	24.2
110.03728	2.3
113.02442	6.5
119.03471	2.7
121.06577	2.9
123.08148	1.9
125.02402	2.8
125.09759	6.6
132.41248	1.2
132.84868	1.3
135.08170	3.3
136.05244	2.3
137.02344	2.0
137.23474	1.3
141.12895	1.4
142.02711	1.7
143.03477	1.2
145.05070	2.9
148.25223	1.2
161.04536	4.2
161.09650	2.0
163.11290	12.3
170.84166	1.3
171.10248	11.9
179.05609	1.3
181.12303	3.5
183.13911	9.8
185.11819	16.6
193.12260	1.7
199.13377	2.5
203.14366	2.0
207.10260	55.3
208.10583	1.5
209.11815	13.6
211.13382	97.0
212.13733	2.5
221.15450	5.0
223.13383	3.4
225.11311	29.7
226.11555	1.3
230.37589	1.2
231.13826	3.5
233.11847	3.1
235.08223	8.1
237.14763	1.4
247.13321	6.0
249.14943	3.1
251.12866	4.8
253.09290	12.2
263.16513	2.5
267.15759	1.7
277.18219	1.6
329.24698	3.7
339.23157	5.9
355.04523	1.4
355.22540	3.8
357.24341	3.5
365.21149	2.3
373.23767	10.0
383.22250	21.2
391.24814	7.8
401.23294	40.6
402.23566	2.8
419.24335	15.5
443.19077	3.7
447.22171	4.0
461.20151	9.9
475.26892	1.9
609.33063	7.0
611.30670	2.0
619.31018	10.2
637.32257	100.0
638.32721	8.4
655.33331	40.7
656.33844	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	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
59.01377	26.1
61.98826	3.2
62.94780	1.2
69.55906	1.3
70.27674	2.7
71.01377	18.3
73.02943	4.9
80.02666	1.5
81.03440	4.1
83.01364	3.3
83.05025	3.8
85.02947	5.8
87.00857	5.2
89.02442	10.0
92.52932	1.4
95.01383	3.2
95.05032	3.0
97.02946	5.6
97.06561	4.4
99.00879	2.1
101.02431	13.7
109.06582	19.4
110.03721	2.4
113.02444	8.7
119.03426	2.5
123.08198	2.4
125.02441	4.9
125.09738	8.1
130.46060	1.2
133.06638	1.6
135.08165	3.2
136.05270	1.7
145.05048	2.0
145.06683	1.6
161.04524	2.9
161.09686	2.2
163.11273	15.2
165.09155	2.2
171.10272	8.9
175.78000	1.4
179.05560	2.1
179.10847	1.4
181.12355	2.7
183.13899	7.7
185.11841	13.3
193.12312	3.2
193.77921	1.3
203.14406	2.9
205.12309	2.6
207.10246	48.7
209.11816	53.7
210.12112	1.6
211.13390	77.0
212.13690	1.9
221.15451	4.8
223.13359	3.1
225.11275	25.0
227.12830	3.3
231.13840	1.7
233.11839	2.3
235.08186	7.6
247.13347	5.3
249.14981	3.0
251.12927	3.7
253.09280	12.2
275.12738	2.5
321.22086	1.9
329.24796	2.8
339.23215	9.0
355.22855	2.8
357.24261	5.3
365.21185	2.8
373.23849	10.0
375.21588	3.3
382.28748	1.5
383.22223	27.2
391.24872	5.0
401.23306	60.9
402.23685	3.0
419.24356	25.6
447.21948	1.7
461.20248	6.2
475.26953	2.9
593.29596	1.8
609.33264	6.5
611.30573	2.8
619.31195	14.8
637.32312	100.0
638.32709	5.1
655.33264	32.2
656.33856	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	655.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20227	0.3
53.70966	0.3
66.40290	0.3
69.34771	1.7
71.40148	0.3
78.00675	0.5
78.01103	8.3
83.05026	0.5
98.21851	0.7
110.00040	0.6
111.00845	1.2
137.99579	0.5
139.00371	0.3
179.18034	2.4
193.15932	1.1
195.17525	27.5
196.17883	1.1
207.17540	0.6
211.13461	0.5
219.17520	54.7
220.17816	2.6
223.17087	0.8
239.16460	0.8
251.16501	16.9
252.16968	0.9
279.15967	4.7
280.16431	0.5
296.16196	0.5
297.17026	6.3
298.17352	0.4
307.15527	1.0
311.18674	0.5
339.18085	100.0
340.18442	4.5
632.93878	0.4
655.32904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
72.05196	0.9
121.02949	23.0
182.89069	0.9
195.71501	1.0
209.04514	15.5
219.18219	1.0
421.89233	1.0
549.10413	2.4
593.12994	15.7
656.25165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58791	1.4
55.27652	1.6
61.98818	6.4
67.64695	1.4
69.26524	8.2
78.95886	8.4
88.97128	1.5
96.02436	1.7
96.96970	2.5
108.16130	1.4
141.26500	1.7
152.99564	8.8
162.61617	1.6
185.41194	1.4
235.80215	1.5
236.45245	1.5
241.01230	5.5
244.27527	1.5
255.23311	7.7
571.28986	17.7
609.61877	1.6
656.25067	100.0
657.25299	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	657.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
62.42081	0.9
78.95886	1.1
91.05534	1.6
96.96950	1.8
107.05037	2.7
108.02153	19.8
109.02947	2.9
120.99700	1.6
121.02977	1.4
121.06592	2.2
123.00923	1.2
123.04519	12.7
125.02442	15.7
135.04501	8.1
137.02382	5.8
137.06055	7.1
138.03215	2.2
139.04021	2.3
149.02431	1.0
149.06012	4.7
152.01137	21.0
153.01982	1.5
161.02458	3.5
162.03212	3.9
164.01195	4.9
165.01918	3.3
165.05545	7.9
165.21979	0.9
166.02687	5.1
167.03494	52.5
168.03853	1.5
175.03896	1.4
177.01889	5.9
177.05605	2.7
178.02644	2.6
178.99843	1.8
179.03494	10.1
189.05539	1.2
190.02724	6.5
191.03506	2.6
191.70132	0.9
192.00650	82.8
193.01416	21.9
193.05060	1.1
194.02202	12.0
195.06648	1.2
197.04602	1.6
203.03481	1.3
205.01431	3.8
205.05014	1.8
206.02171	4.9
207.02980	44.5
208.03391	1.3
209.04575	7.1
219.06618	1.4
220.03709	0.9
221.00996	1.8
221.04564	3.1
222.01683	5.7
233.04454	3.5
234.01659	23.0
237.04005	3.8
239.05612	3.1
249.04025	10.2
303.05225	1.3
305.06699	9.1
306.07190	1.0
312.04895	15.5
327.07254	100.0
328.07620	4.8
329.08752	49.9
329.12720	2.2
330.09113	2.6
344.42117	1.0
387.40771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75142	0.4
57.20765	0.4
59.01375	1.7
61.98834	1.0
71.01388	1.2
71.45168	0.5
85.02924	0.7
89.92168	0.5
90.36838	0.4
93.03481	0.8
101.02452	0.6
108.02158	1.6
109.02951	1.6
121.02985	0.5
123.00887	0.5
123.04476	0.6
124.01668	0.9
125.02454	4.1
125.09671	0.5
126.02784	0.6
128.19743	0.5
136.01651	1.6
136.05312	0.9
137.02463	3.5
138.03268	0.7
149.02438	0.9
149.06102	1.0
150.03070	0.6
151.00357	0.7
151.04013	0.9
152.01158	1.9
153.01932	1.4
161.02423	1.7
162.03224	1.0
164.01140	6.6
165.01944	0.6
166.02771	0.7
167.03474	4.3
169.01445	3.3
172.98953	0.5
177.01790	0.9
177.05545	0.6
178.02716	0.6
178.99910	2.6
189.01839	0.9
190.02658	1.9
190.99896	0.6
192.00639	100.0
193.01303	6.9
194.02177	2.0
200.30777	0.5
205.01427	2.1
206.02159	1.5
207.02977	64.2
208.03311	2.0
209.04504	1.4
222.01657	1.0
232.03752	1.3
234.01692	5.8
235.13351	1.4
237.04045	1.1
249.04071	6.0
249.14914	3.9
249.23344	0.5
263.16440	0.7
269.06686	0.7
279.16028	1.9
291.04974	0.7
309.06097	6.2
347.11255	1.0
389.27301	0.8
407.27881	1.9
433.25885	1.1
451.27060	2.8
477.10327	4.7
477.25085	2.4
492.29483	0.5
639.30023	1.6
657.18457	5.9
657.31079	13.3
658.18921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09153	2.3
57.03436	2.6
58.91539	2.2
59.01361	9.4
70.23242	5.3
79.85188	2.5
92.89995	2.8
93.37988	2.3
96.02155	3.1
98.21961	2.6
107.01372	3.4
123.00885	4.6
124.01629	10.4
125.02440	14.3
135.00841	7.2
141.01715	9.7
147.07162	2.9
151.00366	3.6
152.01152	8.6
165.01883	3.3
166.02802	5.2
167.03496	34.4
202.04407	2.6
231.06534	3.0
242.02037	3.0
257.04425	4.0
260.11853	2.7
293.21118	11.9
317.06760	4.0
321.20731	97.9
322.20911	7.3
411.21832	5.5
415.25189	2.5
427.07718	2.5
439.21185	3.7
441.22778	3.3
443.24304	12.4
459.04010	2.8
471.23871	24.2
491.56302	2.7
657.18262	5.6
657.29102	100.0
658.29065	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	657.3129
Annotation	Ajugaside A
Peak:m/z	Relative Intensity
55.01878	2.4
59.01361	4.2
59.90129	1.2
61.98811	3.1
71.01360	2.6
78.95895	1.6
85.02934	2.0
94.80720	1.1
95.05035	1.2
98.21925	1.5
99.10497	1.2
109.27612	1.1
113.02449	3.5
125.02437	4.3
133.71420	1.2
137.02400	2.1
149.06046	1.1
160.17995	1.3
161.83296	1.1
169.01414	5.5
184.37944	1.2
233.19037	1.3
261.18466	2.4
271.20636	17.4
273.18530	5.4
287.20105	4.9
289.21725	10.8
297.18713	1.2
313.21664	4.3
315.19626	53.5
316.19943	2.4
333.20691	100.0
334.20969	5.7
347.22287	2.5
357.20657	4.4
477.24911	3.3
495.25989	42.5
496.26193	2.9
527.60834	1.3
657.31232	71.7
658.31635	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	657.3126
Annotation	Ajugaside A
Peak:m/z	Relative Intensity
57.03446	1.3
59.01369	4.0
61.98825	2.6
62.85132	0.9
69.58858	2.2
71.01376	2.9
77.44059	0.7
81.03461	2.7
82.95419	0.9
83.05008	1.2
85.02952	2.3
85.06599	0.8
93.93333	0.8
95.01360	0.8
95.05024	1.1
96.96015	8.0
97.06596	0.7
99.00879	1.0
99.92621	0.6
101.02432	1.1
107.05061	1.1
108.02193	1.0
109.02943	2.2
109.06561	1.5
111.04573	1.1
111.08170	1.4
113.02475	2.0
116.92867	3.1
122.03775	1.0
123.00880	0.9
123.04512	3.2
125.02464	6.1
125.09724	2.0
126.90411	1.7
134.03743	1.0
136.05301	29.2
137.02487	1.5
137.06090	8.8
138.03200	0.9
139.04025	1.7
139.11285	1.4
149.02383	0.9
149.06067	2.4
150.03232	2.0
150.06842	0.8
151.04079	2.4
151.07639	34.7
153.02000	0.8
161.02454	0.9
163.07654	1.3
165.01950	1.5
165.05598	2.3
167.03502	2.2
169.01433	5.5
173.38481	0.7
175.03989	2.5
175.07755	1.1
177.09262	0.8
192.00658	1.1
193.08733	1.0
207.10197	5.4
221.11786	4.7
233.11838	1.2
233.15396	1.0
235.13329	1.8
237.15073	0.9
247.13403	1.3
251.13008	0.8
251.16539	1.4
260.78781	0.7
265.14392	1.9
265.18240	0.8
279.16037	3.6
293.17657	2.2
299.18649	2.0
309.17188	0.9
353.24716	1.1
371.25977	1.2
375.25256	0.8
381.80301	0.8
387.25510	0.9
389.26959	8.1
405.26477	7.2
407.27994	22.7
408.28342	2.2
410.47675	0.8
417.49722	0.8
433.26031	7.1
451.27032	22.3
452.27283	1.5
461.14285	3.9
477.24957	11.8
478.24869	0.9
495.20111	1.2
517.27997	0.9
595.31372	2.6
597.94403	0.8
613.32397	3.0
639.30292	11.0
640.30316	1.1
657.31384	100.0
658.31604	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	657.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98819	0.9
69.47500	1.9
69.47894	1.2
74.25335	0.5
82.58350	0.6
96.99330	3.7
98.22595	1.0
141.01695	70.8
142.02007	0.9
275.06091	0.7
279.23358	1.8
347.60477	0.7
361.23849	1.4
634.14099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99239	0.2
59.01373	4.6
61.98821	0.4
69.03447	0.5
69.97166	0.2
69.97498	0.4
71.01376	3.0
71.05015	0.3
73.02934	0.9
80.02684	1.2
81.03433	1.2
83.01375	0.5
83.05022	4.0
84.02167	0.7
85.02959	1.0
87.00862	0.7
89.02426	2.4
95.01375	0.3
95.04995	0.7
97.02934	0.3
97.06551	0.3
99.00870	0.4
101.02430	3.2
107.28983	0.2
110.03706	0.2
113.02440	1.7
119.03473	0.6
125.02449	0.4
125.06079	0.6
125.09721	0.2
131.97124	0.2
135.08142	0.7
137.09708	0.2
143.03528	0.2
145.05040	0.4
153.81364	0.2
160.44939	0.2
161.04539	1.2
163.11270	3.6
165.12837	2.5
167.10709	0.3
167.14359	0.6
171.10216	1.1
178.65260	0.2
179.05598	0.5
181.12346	0.5
183.13892	6.7
191.10797	1.0
193.12302	1.6
199.13365	1.1
207.10269	0.3
208.10503	0.2
209.11818	96.2
210.12140	2.0
211.13382	100.0
212.13692	2.6
225.11345	0.3
227.12889	15.5
228.13202	0.6
235.08217	3.5
249.14987	1.0
253.09274	9.7
385.23880	0.5
403.24826	0.9
421.25723	0.3
429.21265	0.4
445.20816	1.5
447.22369	4.6
448.22919	0.3
463.21881	0.4
485.15387	0.2
531.34949	0.2
621.32800	1.0
639.33539	0.9
657.34882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01373	2.6
60.36479	0.5
61.98833	3.2
61.99866	0.5
69.57938	0.5
70.00027	1.0
71.01392	1.3
72.40754	0.6
72.62994	0.5
78.35790	0.6
81.03445	0.6
82.95408	1.0
83.05016	1.6
85.02926	0.8
89.02435	1.0
95.01402	0.6
96.95984	1.3
98.95663	0.6
101.02443	0.5
109.06589	0.9
111.04482	2.2
121.06592	3.7
122.03677	0.7
123.08147	1.0
123.11726	0.5
123.71948	0.5
125.02414	3.4
135.04514	1.6
135.08080	0.8
136.05295	45.2
136.37999	0.6
137.02365	0.7
139.93945	0.8
147.08127	1.5
148.05254	1.0
149.06094	6.9
150.06868	7.6
155.10776	0.6
159.05719	0.6
161.02446	1.3
162.06836	0.8
163.07622	1.8
163.11282	1.2
164.08441	2.1
165.09206	49.3
166.09465	1.3
169.01471	0.9
171.10271	1.4
183.13855	1.1
185.11832	0.9
209.11836	24.8
210.12065	0.8
211.13396	17.6
212.13710	0.7
215.12817	0.6
227.12833	3.3
253.09164	2.0
311.22318	1.6
327.21527	1.5
328.50681	0.6
329.23312	27.7
330.23685	1.5
331.24811	1.4
377.63083	0.5
447.22189	0.8
477.32181	9.1
480.31235	0.7
494.32617	4.1
495.33240	39.4
496.33395	2.1
503.67487	0.6
509.34769	1.5
657.38513	100.0
658.38806	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	659.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64847	0.4
59.01379	65.8
65.36230	0.4
69.08672	2.7
71.55822	0.4
72.04303	0.5
72.65511	0.4
80.40054	0.4
103.76638	0.4
132.98219	1.4
157.03549	1.8
159.01488	0.9
174.99243	25.1
192.95827	0.6
199.98787	1.6
201.02539	17.2
202.02684	0.7
217.00291	100.0
218.00601	1.2
235.74989	0.5
342.99945	0.8
343.03629	1.5
357.97626	0.9
359.01450	34.2
360.01648	2.2
374.99185	53.7
375.99573	1.3
387.84122	0.5
517.00372	11.7
518.00677	1.0
675.33374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.1
59.01375	22.4
60.01702	0.6
69.46456	2.2
81.03480	1.0
83.01376	1.0
85.06586	6.6
87.71085	0.5
89.02422	0.7
93.03539	0.5
96.95982	0.8
105.03451	1.3
107.01348	0.7
108.02143	1.1
109.02943	39.0
110.03288	1.0
113.06081	6.5
123.00888	1.0
123.04543	1.3
125.02441	45.4
126.02827	0.8
131.07132	58.3
137.02446	2.1
139.03951	1.2
153.01930	100.0
154.02274	2.3
161.02426	15.8
165.01918	1.9
167.03499	3.0
169.01405	2.2
173.08173	27.2
177.01973	1.8
177.05589	1.1
179.03503	2.1
207.44923	0.7
219.06621	1.1
243.03223	0.7
259.05890	0.6
269.04510	1.8
287.05609	11.9
305.06638	7.6
326.84305	0.6
441.08197	11.8
479.08231	1.1
659.27411	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	659.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
66.85809	0.3
69.03457	0.9
69.65374	0.6
69.65701	0.3
80.26082	0.3
81.03471	0.8
83.01400	0.6
88.01579	0.3
95.01368	0.3
95.05010	0.4
97.02954	1.0
105.03448	0.5
107.01377	0.4
109.02950	0.9
111.04535	0.4
121.02889	0.6
123.00884	1.0
124.01670	1.2
125.02439	55.8
126.02776	1.1
137.02437	1.8
139.04012	1.6
149.02415	0.8
151.03987	0.5
161.02431	3.3
164.01109	0.5
165.01878	1.1
166.02640	0.4
166.99800	0.4
167.03491	5.1
168.03848	0.4
169.01413	100.0
170.01735	1.4
175.04005	0.5
177.01912	3.9
177.05513	0.7
178.02243	0.3
179.03467	1.0
193.01399	1.8
203.03360	0.4
217.04994	0.3
219.06602	0.8
221.04492	0.6
227.03586	0.4
243.02946	1.1
244.03189	0.3
254.25201	0.3
261.04019	0.9
269.04462	0.6
287.05643	2.0
303.05099	0.5
305.06631	5.9
306.06866	0.3
319.04498	1.0
331.04568	1.6
371.59882	0.4
429.07458	0.3
457.07727	16.7
458.08127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25406	0.5
57.03446	13.6
59.01364	1.5
61.98822	1.3
70.11691	1.2
75.57571	0.4
81.03452	1.8
82.95400	0.6
83.01389	4.5
93.03440	0.8
95.05022	1.5
95.41330	0.4
96.96008	1.5
98.21935	0.7
105.03471	5.4
107.84387	0.5
108.02152	0.6
109.02944	1.6
123.00845	0.6
123.04494	1.4
125.02442	100.0
126.02766	1.4
128.31979	0.5
129.72293	0.5
133.02922	1.5
137.02428	6.2
139.03999	1.0
145.24506	0.5
147.04492	0.8
148.05316	1.1
149.02464	1.0
161.02437	41.3
162.02858	1.3
164.12776	0.5
165.01881	2.1
165.05504	0.7
167.03476	1.4
169.01480	0.6
174.03212	1.5
175.03915	1.1
177.05579	3.3
179.03482	0.6
191.03503	2.1
191.07146	1.6
201.05577	1.1
206.05872	0.8
219.06610	1.1
223.43782	0.5
225.05550	0.8
227.03502	0.7
229.01299	0.6
235.06152	0.7
243.06650	1.2
267.06635	1.3
269.04572	2.9
279.06589	1.1
282.08987	0.8
287.05591	6.4
305.06662	5.7
308.06833	0.8
309.07928	0.9
310.08121	0.7
323.05438	1.4
323.09033	0.9
326.08032	0.5
327.12222	0.5
335.18686	1.0
338.07999	1.3
341.10251	5.3
353.10202	7.7
354.10730	0.9
371.11285	10.9
431.24249	0.5
450.74326	0.5
461.25980	1.3
463.14597	0.7
475.13736	0.6
623.30865	2.0
658.31970	0.6
659.31537	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	659.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58465	1.1
76.94012	1.4
108.02158	3.2
109.02956	1.6
121.02897	1.4
125.02483	9.5
137.02409	2.0
138.03230	1.4
151.04005	1.5
152.01100	2.5
155.03456	1.6
159.75610	1.3
161.02463	4.1
162.03242	2.8
164.01105	3.7
166.02724	6.0
167.03467	8.3
168.03810	1.2
169.01418	1.6
177.01938	3.6
178.02647	1.8
178.99951	1.3
190.02664	6.1
192.00632	66.2
193.01396	27.7
194.02216	14.9
205.01401	5.0
206.02225	6.6
207.02989	28.1
221.00769	3.8
222.01656	6.4
234.01669	25.6
237.04005	4.0
249.04030	12.3
268.90112	1.4
275.87442	1.2
303.04956	1.5
312.04880	20.4
327.07199	100.0
328.07498	4.5
329.08078	1.5
487.96716	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	659.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.1
61.98829	9.1
64.24149	3.8
73.64072	4.1
78.95897	17.7
79.42658	3.8
98.22592	12.2
146.91959	3.9
152.99599	8.1
169.01457	4.9
171.00681	5.3
235.08156	4.8
281.17734	7.0
288.51031	4.0
369.23987	5.7
387.25461	13.9
405.26431	13.5
577.26898	8.9
623.34283	100.0
659.31970	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	659.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16453	12.8
59.01376	100.0
61.98829	34.3
71.01376	21.2
71.11372	15.7
78.95900	35.6
151.69569	13.3
152.99567	18.3
163.09599	13.9
405.26871	20.1
577.26660	28.3
623.34393	33.5
659.32147	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55185	0.4
57.03447	12.5
57.50897	0.5
59.01377	2.8
61.98827	1.2
71.01376	1.6
71.45036	0.5
73.02953	0.5
75.52897	0.5
81.03457	1.5
83.01392	3.4
89.02465	0.8
95.05025	1.9
96.96008	1.0
101.02430	0.8
105.03467	4.3
109.02961	0.8
113.02438	0.8
116.94371	0.7
121.02932	0.7
123.00918	0.7
124.01660	0.7
125.02443	100.0
126.02801	1.6
130.06351	0.5
133.02966	1.7
137.02444	4.1
138.03214	1.1
139.04048	0.8
149.02434	1.4
149.06079	0.8
149.76534	0.5
151.03986	0.9
152.01149	0.5
157.37100	0.5
161.02438	45.1
162.02908	1.2
165.01955	2.3
165.05562	0.8
167.03467	1.2
169.01448	0.6
173.06087	0.6
175.03934	0.9
177.05574	4.4
179.03435	0.7
185.02432	0.5
187.04185	0.5
191.03578	0.6
199.04021	0.9
201.05556	1.5
203.03566	0.7
208.09570	0.5
213.05484	0.6
219.06543	1.2
225.05592	0.9
227.03510	0.6
229.01418	0.8
233.21532	0.5
241.05260	0.8
243.06570	1.1
251.16640	2.2
263.13000	0.7
267.06448	0.6
269.04547	9.8
271.95370	0.5
287.05603	15.2
291.19769	0.7
305.06671	3.0
319.19147	5.5
335.18604	8.9
336.19492	0.8
343.11841	2.6
355.11890	1.8
395.20877	0.7
413.21802	4.0
455.22928	1.9
498.25003	2.4
510.24466	0.6
559.27313	0.6
661.30725	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	661.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67534	0.9
56.66158	0.8
59.01357	1.1
63.65803	0.7
71.01382	3.1
71.08218	1.2
89.02456	0.9
96.96025	2.6
97.06592	1.5
97.65174	0.8
105.48124	0.8
108.02171	30.2
109.02956	14.5
109.06595	1.6
125.02434	2.0
139.93578	0.9
151.04022	2.4
152.01144	61.8
153.01877	2.8
163.03998	2.1
163.07652	4.4
171.06654	1.5
177.01909	3.5
207.06624	2.4
225.07697	2.9
241.07193	3.2
243.08728	20.1
244.09169	1.0
417.10352	100.0
418.10669	6.3
434.13397	1.0
481.04309	1.0
494.15274	1.0
498.09473	0.9
569.45319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17463	1.1
55.01842	2.0
58.49062	1.4
59.01378	51.5
68.99785	1.8
69.03455	2.9
71.01377	31.9
72.99319	1.7
73.02940	13.0
80.13864	1.2
81.03461	1.4
82.95420	3.3
83.01389	6.2
85.02947	14.9
87.00874	7.3
89.02444	14.8
95.01396	5.7
96.96013	10.0
97.02944	2.3
99.00879	5.8
101.02434	24.1
109.02957	2.1
110.36199	1.1
111.00867	2.8
112.01655	3.3
113.02441	19.8
116.92841	2.3
119.03518	4.6
121.02949	4.8
122.03749	1.3
124.01684	1.3
125.02451	10.2
130.18129	1.2
131.03593	1.5
137.02496	2.0
143.03502	5.6
145.23412	1.3
147.08203	1.8
148.05257	1.4
149.09700	10.3
161.04567	4.4
161.09735	2.3
163.07616	1.3
165.01894	1.6
165.09198	83.9
166.09512	1.8
167.03491	3.3
173.09674	1.6
177.01907	1.5
177.09215	1.4
179.05632	2.2
189.09198	9.9
190.97112	1.3
191.10788	3.7
207.10239	6.8
215.10751	1.9
219.10236	4.2
221.06607	3.9
221.11699	1.7
234.98999	1.3
235.23869	1.5
243.10275	2.4
249.11353	2.4
251.16713	2.2
257.18948	2.2
301.17972	3.1
309.13443	31.6
310.13718	1.9
319.19199	3.7
327.14478	78.5
328.14920	2.8
337.20166	15.7
337.23898	1.6
339.14627	1.6
351.14651	1.6
369.15518	31.8
384.33908	1.5
410.69846	1.3
413.21851	3.9
439.16068	2.0
453.17288	1.6
455.22983	1.9
471.18680	17.3
472.19177	1.7
489.19666	7.1
499.25528	4.0
513.19727	67.8
514.20117	5.4
531.20813	100.0
532.21002	7.7
541.25970	1.6
573.21869	50.6
574.22211	4.6
661.30731	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	661.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80388	0.4
54.09655	0.4
55.01868	0.7
55.57557	0.5
57.03680	0.5
59.01378	1.8
63.82502	0.4
69.03448	1.1
69.21114	2.5
71.01391	2.3
72.99302	0.5
73.02962	0.7
79.01854	0.4
81.03440	0.5
83.01360	0.5
85.02943	1.7
89.02431	0.7
90.23512	0.5
95.01372	0.7
99.00874	0.9
99.04519	12.6
101.02436	1.1
108.02170	74.6
109.02950	26.6
109.04026	0.5
111.00899	0.4
113.02450	1.4
121.02950	1.1
122.03735	0.5
123.04524	1.0
125.02433	2.9
131.03458	0.5
133.02934	0.6
134.03741	0.8
135.04507	0.8
136.42728	0.5
137.02435	0.5
149.06018	0.6
150.03142	0.4
151.00349	0.5
151.03993	2.2
152.01144	100.0
153.01953	3.9
163.04012	2.8
167.03453	0.5
169.01421	1.0
177.01817	0.7
179.03453	1.1
191.03404	0.6
226.68471	0.5
241.07185	3.4
267.04938	0.5
285.06213	1.0
399.09335	1.6
499.14645	0.9
561.14410	5.1
579.15289	0.5
631.16095	0.6
661.19794	99.3
662.20160	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	661.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52473	0.2
59.01379	4.9
64.24861	0.1
69.03443	0.3
70.17249	0.1
71.01376	1.7
73.02946	2.9
79.05502	0.2
81.07094	6.4
83.01395	0.7
83.05021	1.3
83.71634	0.2
85.02937	0.7
87.00945	0.2
89.02431	0.5
93.03451	0.6
94.04224	0.7
95.01380	0.3
95.05007	1.0
99.00881	0.2
101.02447	1.9
105.03445	0.3
109.06596	6.0
109.07352	0.3
113.02443	1.1
119.03501	0.2
121.02961	0.4
123.04524	19.3
124.04832	0.2
125.02441	0.6
125.06055	0.9
127.07651	13.6
137.02440	0.2
138.03229	8.6
143.03442	0.2
149.04515	0.4
153.05573	100.0
154.05931	1.8
155.07115	0.3
159.02960	0.2
161.04530	1.6
169.01404	0.5
171.06627	12.1
177.83057	0.2
179.05605	0.3
187.11336	0.4
220.50832	0.2
221.06615	0.3
238.14758	0.2
285.09851	0.5
319.12906	0.5
363.82004	0.2
393.14087	0.5
439.16058	53.9
440.16428	3.0
617.26135	0.5
661.23724	3.6
662.23792	0.4
677.16119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01371	1.4
61.98842	1.1
71.01398	0.7
72.99305	11.0
80.97587	0.7
82.96350	0.8
96.95992	0.8
99.00854	1.2
102.46851	0.8
104.57506	0.7
116.92884	1.2
119.94255	0.8
123.04594	0.7
125.02464	2.4
127.11202	1.2
139.11273	2.0
147.02658	0.9
153.01956	0.9
155.10744	1.9
167.10835	0.8
169.01468	1.5
171.10268	29.6
172.10646	0.9
177.05563	1.1
183.10272	14.3
185.11821	3.2
195.06635	0.9
211.09749	2.1
225.07643	1.4
227.09230	13.6
228.09567	1.0
229.10783	1.9
239.05667	5.3
240.06343	1.2
273.09802	100.0
274.10104	2.4
278.20889	0.8
385.68320	0.8
401.10812	1.7
402.11346	1.2
441.78110	0.9
563.16370	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	661.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15079	0.5
55.01867	1.3
57.03450	2.5
57.03677	0.5
59.01379	19.8
61.98819	1.3
66.14272	0.5
69.03449	1.3
71.01381	17.9
72.99288	0.9
73.02948	7.5
83.01390	3.6
85.02952	9.1
87.00874	0.6
89.02434	5.0
91.79357	0.5
95.01394	1.5
96.96006	2.3
99.00882	2.9
99.04526	1.3
99.88921	0.5
101.02440	12.0
109.02938	1.4
113.02454	8.0
119.03510	0.9
122.06089	0.7
124.01735	0.5
125.02432	6.8
137.02408	0.7
143.03477	0.8
153.01941	1.0
161.02498	2.7
161.04550	1.9
169.01419	1.3
171.10197	0.8
197.11923	0.6
207.02847	1.1
209.11882	1.2
220.24516	0.5
233.15416	1.1
234.01576	1.0
235.17007	5.7
251.16586	3.9
285.12479	0.5
287.09238	0.7
301.11768	0.9
325.66977	0.6
351.09772	0.6
370.89468	0.4
395.20761	2.8
413.21777	100.0
414.22134	5.2
455.22891	8.7
506.18875	0.7
553.24487	0.8
599.10486	3.8
629.26672	1.2
661.27405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15079	0.5
55.01867	1.3
57.03450	2.5
57.03677	0.5
59.01379	19.8
61.98819	1.3
66.14272	0.5
69.03449	1.3
71.01381	17.9
72.99288	0.9
73.02948	7.5
83.01390	3.6
85.02952	9.1
87.00874	0.6
89.02434	5.0
91.79357	0.5
95.01394	1.5
96.96006	2.3
99.00882	2.9
99.04526	1.3
99.88921	0.5
101.02440	12.0
109.02938	1.4
113.02454	8.0
119.03510	0.9
122.06089	0.7
124.01735	0.5
125.02432	6.8
137.02408	0.7
143.03477	0.8
153.01941	1.0
161.02498	2.7
161.04550	1.9
169.01419	1.3
171.10197	0.8
197.11923	0.6
207.02847	1.1
209.11882	1.2
220.24516	0.5
233.15416	1.1
234.01576	1.0
235.17007	5.7
251.16586	3.9
285.12479	0.5
287.09238	0.7
301.11768	0.9
325.66977	0.6
351.09772	0.6
370.89468	0.4
395.20761	2.8
413.21777	100.0
414.22134	5.2
455.22891	8.7
506.18875	0.7
553.24487	0.8
599.10486	3.8
629.26672	1.2
661.27405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05074	2.7
57.03441	3.1
59.01372	17.0
59.84917	2.6
60.29506	2.5
61.98825	6.6
65.54224	2.8
69.28149	8.2
69.28537	4.5
71.01378	8.2
72.52489	2.5
72.99313	3.9
73.02940	5.1
83.01411	3.7
85.02934	4.1
95.01373	4.9
96.95982	6.4
108.04498	3.3
110.06116	8.2
113.02458	3.0
116.92873	3.7
122.06123	26.6
124.04036	8.0
125.02451	19.4
134.06128	6.3
136.07700	3.6
137.02435	3.3
160.04173	2.8
161.02422	7.2
169.01424	7.8
171.10263	4.5
174.05606	5.2
174.12888	4.2
180.06598	4.4
196.65195	3.0
197.11801	9.7
202.00343	3.1
209.11794	8.0
213.10387	20.0
237.10318	4.9
239.11830	21.2
241.13434	14.3
251.11708	8.3
253.09634	3.3
264.09003	5.4
265.09766	9.7
277.09656	4.0
279.07965	3.0
279.11298	11.7
283.10883	20.1
285.12390	57.8
291.07782	3.5
291.11203	5.9
292.08417	12.8
293.09201	7.9
293.12759	5.8
301.11969	4.5
306.10083	4.4
307.10843	29.8
308.11609	15.5
309.08725	7.6
311.10202	3.8
327.09909	4.4
343.13025	4.4
350.09128	10.9
351.09836	30.3
352.10034	3.9
356.13834	3.7
370.15527	6.5
371.16229	4.2
372.16989	6.9
373.25876	9.7
398.14987	7.5
403.15344	4.8
406.12817	3.2
412.16422	10.5
413.17233	6.8
418.17462	3.7
430.17560	12.6
448.18753	4.1
455.22668	3.7
474.16617	7.2
491.17291	4.5
492.17328	6.4
493.22202	3.5
506.19159	23.8
511.23279	6.7
515.22150	3.8
524.20331	4.6
535.23621	14.4
538.21936	59.4
539.22253	4.1
553.24628	48.7
567.25140	5.1
585.27112	5.2
597.23602	43.9
598.24011	4.4
611.25031	4.6
629.26166	100.0
630.26245	10.0
661.28607	46.7
662.29089	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	662.1
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09677	0.7
57.03438	4.8
57.53068	0.7
59.01378	5.3
61.98832	7.1
63.62568	0.8
69.12290	3.0
69.12695	1.3
69.33889	0.7
71.01385	4.3
71.20132	0.8
73.50159	0.8
74.18224	0.7
82.38716	0.9
83.01381	2.0
84.50875	0.8
85.02966	1.1
89.02461	1.1
91.01925	0.8
93.03446	1.2
96.96022	2.0
101.02435	1.7
103.02962	0.8
104.28979	0.8
105.03492	1.2
108.02158	4.2
109.02950	32.0
113.02451	2.6
119.04996	1.1
123.04517	1.5
124.01608	1.2
125.02450	28.6
126.02765	5.0
133.02963	2.0
135.04431	0.9
137.02441	2.9
139.07785	0.8
145.02950	2.1
149.02428	2.2
151.03990	1.2
152.01178	4.7
153.01939	26.7
161.02429	17.0
162.03105	4.3
163.04004	2.1
164.01228	1.3
165.01933	4.3
167.03496	2.0
169.01439	2.1
171.10330	0.8
173.02446	1.9
177.01903	2.0
177.05576	1.6
179.03325	0.9
189.01961	1.9
190.02686	8.1
191.03465	3.9
192.00632	8.6
193.01440	8.9
195.02989	11.5
201.11227	1.0
202.02698	0.7
203.03322	0.9
205.01390	3.7
205.04980	1.5
206.02245	6.5
207.02965	19.2
209.11810	2.7
218.02205	1.0
223.02386	0.9
229.01181	0.9
232.03671	0.9
233.04431	0.9
234.01695	18.5
235.02490	13.3
246.01706	1.7
247.02621	1.0
249.04010	6.4
276.02786	1.2
277.03522	1.7
287.05627	3.6
288.05884	1.6
294.03723	1.6
309.06177	1.1
413.21747	2.5
414.22070	1.6
445.07901	2.6
455.22830	3.7
456.23511	1.1
599.10413	100.0
600.10699	6.3
662.28149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
59.01378	12.3
69.03437	1.6
71.01382	7.2
71.79611	0.7
73.02933	2.7
81.03452	1.0
83.01394	1.2
85.02951	4.5
89.02425	3.6
92.34126	1.0
95.01393	1.1
96.95988	1.1
99.00867	1.5
101.02442	3.2
101.06077	16.5
108.02177	67.2
109.02975	21.2
113.02446	4.4
119.03439	1.0
121.02963	1.5
123.04506	0.9
125.02417	3.7
151.04021	1.8
152.01158	100.0
153.01826	3.4
163.03981	2.6
169.01436	3.1
177.01932	1.0
179.03467	1.0
192.00592	1.5
193.82863	0.8
238.08536	3.8
241.07130	2.9
246.15724	1.0
253.10687	3.2
285.06073	1.0
313.66733	1.0
319.13040	2.0
399.09167	1.5
415.16028	2.8
415.22217	0.9
423.11270	0.8
555.71100	0.8
559.27869	5.4
561.14417	5.6
577.28430	3.1
619.29871	2.0
663.21356	97.0
664.21539	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	663.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43200	1.3
57.03438	1.4
59.01377	12.2
61.98803	1.4
69.48355	1.3
71.01364	4.5
73.02936	2.4
74.77767	1.2
75.00846	1.4
85.02959	1.2
87.00873	2.1
88.98783	3.1
89.02435	2.2
94.94968	1.4
96.95992	2.7
101.02397	1.6
109.02923	1.4
113.02442	2.6
118.59622	1.4
121.02961	1.4
121.55074	1.3
122.06103	3.6
125.02439	24.9
131.03787	1.4
131.36082	1.4
132.04521	4.2
133.03035	1.5
137.02443	3.2
139.00337	2.1
139.03967	2.2
139.30243	1.2
141.01775	1.4
153.05627	1.3
153.71007	1.5
159.03156	1.4
160.04033	4.4
161.02397	3.0
163.04048	1.4
165.01888	1.6
165.05542	1.5
167.03435	1.9
169.01408	28.7
170.01779	1.4
176.03474	2.8
177.01944	3.1
179.07208	1.4
185.07135	1.5
190.05058	11.1
192.06627	2.0
198.04192	1.8
201.11295	5.4
209.11812	4.7
211.05101	1.9
217.01340	2.0
223.08792	4.0
224.09364	2.8
225.06569	8.0
225.11284	1.4
226.07443	2.9
227.08253	2.0
229.13367	2.2
230.23044	1.4
234.66266	1.3
237.10333	2.7
239.04596	7.9
239.08209	4.3
239.11826	8.2
240.10445	2.4
241.09808	6.2
252.05327	2.3
253.06151	17.2
253.08778	1.8
253.09792	1.4
254.06828	3.4
254.10400	1.9
255.11232	3.5
265.09766	3.4
266.07071	1.7
267.07758	15.6
268.08459	6.9
271.07190	1.5
281.09299	10.5
282.10052	7.8
283.10876	61.0
284.11240	2.2
285.08902	1.7
296.11465	2.8
299.10361	4.2
309.08789	8.3
318.08707	2.1
327.09906	8.2
327.13339	1.3
331.07883	1.9
332.10370	6.1
341.11346	3.8
347.12674	7.4
359.12469	8.0
360.13596	1.7
374.14957	2.5
386.18570	1.4
387.19299	3.2
390.18536	1.8
402.14465	7.6
403.14926	2.3
403.19296	2.2
415.15439	2.3
416.16226	8.9
420.15494	2.7
430.17679	4.6
431.18311	6.0
434.16867	2.6
448.18933	2.3
475.17206	2.6
501.18604	1.8
511.12634	1.8
527.22650	1.5
543.27936	1.9
587.25159	12.4
600.10602	3.9
613.22864	2.9
631.23987	50.2
632.24023	4.3
645.25482	3.1
663.26703	100.0
664.27039	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	663.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48054	0.5
58.07871	0.5
69.49104	2.1
80.90620	0.5
108.02169	12.3
109.02934	1.5
121.02971	0.9
136.01648	0.9
142.08469	0.6
275.20142	25.9
276.20392	1.4
303.19641	100.0
304.20020	4.3
375.26196	0.6
630.23883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21940	1.0
59.01372	4.9
69.49264	4.1
80.26746	1.1
81.03452	14.1
94.34242	0.9
98.08043	1.0
98.22648	2.2
120.69089	1.1
123.04514	48.3
155.65105	1.2
187.35225	1.2
203.18074	2.2
230.53212	1.1
256.92477	1.2
257.22717	18.2
301.21710	100.0
302.22101	5.1
319.19373	1.5
361.27438	25.1
385.70334	1.3
607.29724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.9
60.26144	0.5
66.24339	0.5
71.01373	1.0
71.44023	0.5
89.02439	1.1
105.03489	0.6
109.02980	1.0
121.02959	1.9
123.04542	1.4
125.02431	2.8
126.34346	0.6
135.04413	0.6
137.02440	2.4
139.04018	0.7
145.02974	0.7
149.02452	3.0
151.00464	0.5
151.04024	3.2
161.02444	1.1
163.03970	0.7
164.01128	1.1
165.01921	6.7
173.02397	0.5
179.03462	1.0
191.03557	0.9
192.00682	1.3
193.01410	92.8
193.39439	0.5
194.01804	1.9
195.02922	0.7
198.39818	0.6
207.03020	6.3
223.02448	1.0
235.02473	9.4
248.53326	0.7
248.97214	2.1
311.04184	0.8
313.05652	100.0
314.05960	3.2
314.37442	0.6
315.06335	0.7
323.13300	1.5
340.99838	0.6
357.24557	0.6
396.98422	1.0
424.98141	4.9
451.99460	0.5
534.93829	0.6
540.45825	0.6
545.02545	5.7
665.07800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87457	0.7
59.01372	1.7
67.39602	0.7
94.86036	0.8
97.86302	0.8
122.03765	0.8
123.04485	0.8
124.01647	1.3
125.02472	1.1
135.04536	1.0
135.08226	0.8
137.02475	0.7
137.06046	1.2
138.03236	3.9
139.03992	3.0
147.08220	0.8
151.03999	3.2
152.04787	4.5
153.01909	2.9
163.07645	6.4
164.04774	7.0
165.09209	1.7
166.02650	0.8
167.03401	1.1
173.06100	2.0
175.07623	3.7
176.25224	0.8
177.05573	1.8
177.09184	0.8
178.06349	1.5
181.08708	2.7
191.07135	35.3
192.07507	0.9
193.08688	35.2
202.89099	0.7
203.86983	0.7
209.08167	2.6
225.07767	1.5
237.07672	42.3
253.07166	100.0
254.07857	9.3
267.08722	1.4
281.13940	2.4
376.82385	0.8
399.13010	1.2
416.13162	15.2
417.13385	1.2
441.13907	1.7
458.14276	17.2
470.82718	0.8
503.21768	1.2
579.19672	0.9
621.20325	41.6
622.20129	1.7
665.26678	1.1
680.35553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.9
67.17809	0.8
71.01380	1.7
74.95521	0.9
85.02957	0.9
86.80405	0.8
94.56930	0.9
96.96029	3.9
99.00883	2.8
108.07587	0.8
111.00872	5.1
125.02463	7.7
137.02457	2.4
138.03261	5.1
139.00360	6.0
139.03908	1.0
150.03229	3.0
151.03986	0.8
151.07620	0.9
153.01939	22.5
154.02641	1.0
165.01930	10.3
165.05580	2.7
167.03485	1.9
167.07144	1.3
169.01437	2.6
177.05507	2.4
178.06335	2.2
179.07132	26.5
180.04279	7.0
194.05846	2.1
195.06618	20.4
196.07411	6.9
205.05025	1.3
211.06078	3.0
222.05342	7.7
223.06146	8.6
225.07475	0.8
236.95303	0.7
237.03897	0.9
237.07657	11.1
239.05614	12.4
240.06384	100.0
241.06844	1.9
243.08723	1.4
245.09293	1.5
253.07170	1.2
255.08742	62.8
256.09052	1.9
273.12552	1.4
277.79556	0.9
315.18207	0.8
323.15018	2.1
335.12454	4.0
360.51886	0.9
373.12802	1.5
395.00586	0.8
402.11789	3.8
417.14011	73.1
418.14435	3.8
459.15057	53.0
460.15405	1.6
501.15894	1.1
621.19794	5.6
665.26379	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	665.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32307	1.9
55.54438	1.9
56.64872	1.6
59.01360	6.6
60.45515	1.6
69.30634	8.5
71.01374	4.0
96.95990	6.0
99.00864	8.1
101.02441	1.9
102.12006	1.8
109.02975	2.0
111.00848	3.2
113.02412	2.8
122.06141	4.4
125.02448	14.0
133.01418	2.0
136.04041	3.1
136.07654	3.4
137.02457	4.1
138.03217	5.6
139.00346	6.4
149.06070	2.3
150.03250	2.2
150.05609	4.6
151.07620	2.6
153.01918	24.4
165.01923	2.5
167.03459	5.1
167.07127	3.9
169.01384	6.6
177.05531	8.7
178.06334	6.0
179.07121	27.9
180.04204	2.1
181.05020	2.1
189.04333	5.3
194.05788	2.9
195.06618	9.1
196.07407	8.3
211.06105	6.9
222.05319	6.8
223.06071	7.7
225.07785	2.0
229.09784	4.5
230.11983	2.1
237.07698	11.7
239.05653	34.1
240.06374	100.0
241.06894	2.5
245.09280	2.8
250.22389	1.8
254.07855	2.3
255.08742	63.0
255.11308	3.0
257.09293	2.2
267.32648	1.8
273.12378	10.3
293.94437	1.7
317.11337	6.8
329.11554	10.4
335.12454	52.7
402.11896	5.2
404.74216	2.2
417.14038	28.0
444.12845	2.3
459.15036	45.2
579.18982	2.8
621.20154	99.7
622.20782	5.0
665.22919	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	665.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01376	68.8
60.01696	0.8
62.69796	0.6
63.10917	0.6
64.53749	0.6
71.01376	6.6
73.02937	2.3
76.74040	0.5
80.23908	0.7
83.01374	0.9
84.35625	0.5
85.02964	3.3
89.02431	0.9
95.01407	0.7
99.00819	0.8
101.02432	4.8
103.01504	0.7
111.00861	3.0
113.02461	3.3
125.02459	1.0
131.03514	3.2
132.98178	2.1
160.97734	0.7
161.04553	3.9
162.32587	0.6
170.99846	1.2
174.99240	25.4
217.00281	100.0
218.00627	1.1
221.15410	0.8
237.14954	1.1
249.14931	5.9
250.15263	1.8
265.14423	11.1
266.14832	4.3
267.15842	1.1
315.18085	8.6
316.18402	2.9
413.15375	1.0
447.22485	3.0
448.22650	1.2
471.22525	0.7
489.02945	0.8
527.81232	0.7
545.19141	9.3
585.26593	0.7
601.06305	0.7
634.28180	0.6
664.29449	1.0
665.29523	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	665.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53297	0.8
59.01379	68.8
71.01379	3.6
73.02934	1.6
76.88229	0.8
80.62053	0.9
85.02970	1.9
87.00848	1.5
89.02445	1.0
101.02435	2.0
101.06066	1.0
113.02457	0.9
118.96664	1.4
132.98204	4.0
156.98143	1.1
160.97658	1.1
161.04530	1.5
170.99783	1.5
174.99243	25.8
186.13167	1.2
189.00696	1.1
198.99249	1.6
217.00294	100.0
221.86778	1.0
234.68387	1.0
259.01294	2.6
410.28000	0.9
413.14844	6.1
504.22586	1.1
545.19153	34.7
546.19635	2.1
561.29285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94187	0.3
52.26316	0.3
55.25278	0.3
55.85662	0.4
56.23214	0.3
59.01374	3.0
69.35972	1.8
71.01382	0.4
83.05034	0.6
92.45943	0.3
94.02975	2.1
95.05038	0.6
96.95988	0.4
98.02486	0.6
108.04556	2.3
110.06164	1.6
116.92890	1.0
120.04580	0.6
122.06117	10.3
124.04052	1.4
125.02436	1.0
132.04620	0.5
133.04102	0.7
134.06094	1.7
136.04042	4.5
136.07674	10.1
137.04793	0.4
138.05606	1.6
139.04047	0.7
144.04552	1.1
145.05415	0.4
147.03220	0.4
148.04102	0.5
150.05609	10.0
152.07224	1.8
153.01952	0.5
159.11861	0.4
163.08798	0.4
164.07164	1.4
174.09235	1.1
176.03528	0.8
179.07158	0.6
186.09215	3.1
187.11411	0.8
188.10817	0.6
189.04309	15.4
190.04971	0.4
195.06691	0.4
201.06563	2.5
202.07184	2.0
202.08835	1.2
202.12386	1.4
203.08292	0.4
206.08215	1.2
212.10786	1.5
213.06519	0.5
214.07283	0.7
214.09009	0.7
215.08200	2.2
217.09789	0.5
227.08286	0.5
228.10313	3.6
229.09798	14.4
230.11983	9.5
231.11362	0.8
237.07768	0.5
239.05602	0.8
239.07986	0.7
240.06456	1.6
240.09070	1.0
243.11636	0.6
244.08507	0.6
245.09314	6.1
245.11859	0.4
245.13046	0.8
246.11313	0.4
255.08720	1.2
255.11403	3.9
257.09335	6.6
258.10043	1.5
259.10886	0.6
271.10941	0.7
273.12421	22.3
274.10748	1.0
275.10275	1.6
299.10217	0.8
311.10410	2.0
317.11429	14.3
318.11615	0.6
329.11407	18.9
330.11801	0.6
334.11655	0.8
335.12466	100.0
336.12833	3.6
459.14987	0.8
503.21329	0.7
549.23376	0.6
561.23315	0.5
603.25244	0.5
621.19763	1.1
621.25873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83981	0.9
59.01370	15.4
68.28993	0.9
71.01367	3.7
72.72456	0.8
82.95407	4.5
85.02954	1.4
88.98788	1.7
89.02422	1.3
93.76716	0.9
96.96000	2.0
97.02962	1.0
101.02410	1.6
103.00336	3.1
103.01466	4.7
111.00832	1.6
113.02418	1.3
116.92819	2.1
123.00809	1.2
124.01634	5.4
125.02409	5.4
136.01627	1.1
137.02411	2.6
138.03189	2.7
139.00352	5.6
144.35445	0.9
150.03171	3.3
151.03935	1.1
152.01077	1.4
164.04716	1.6
167.03592	1.2
169.01419	1.3
173.82076	1.1
209.11821	3.0
230.12282	1.4
233.15376	3.0
235.13448	4.8
243.13866	2.4
249.14923	2.7
251.12912	5.3
261.14920	18.6
263.12851	49.4
264.13138	2.2
265.14444	1.6
269.18488	1.0
277.14407	21.0
278.15253	1.8
279.12344	27.7
279.15570	1.5
280.13089	4.4
281.13763	1.9
287.12711	2.3
305.13910	9.7
321.13403	6.2
322.13962	1.8
323.14963	57.2
324.15341	2.3
325.16318	1.2
339.14450	62.3
340.15173	15.8
342.26147	1.0
365.15817	1.8
371.17026	2.6
392.17438	2.3
399.19797	1.2
433.05786	1.0
485.20230	1.5
502.20493	5.7
503.21011	7.6
605.24384	1.3
618.93103	1.0
665.26563	100.0
666.26636	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	665.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
57.03423	4.2
59.01376	100.0
69.31857	5.5
71.01380	50.4
72.99296	1.9
73.02944	10.0
81.03479	1.7
83.01379	6.2
85.02950	20.3
87.00893	4.5
88.98802	1.4
89.02437	25.0
90.44024	1.4
92.91450	1.4
95.01375	6.5
96.96008	11.2
97.02912	3.1
97.70909	1.3
99.00869	4.6
99.08155	3.6
101.02447	28.6
111.00890	1.9
112.01616	1.3
113.02451	27.7
119.03507	7.5
125.02436	8.9
125.50112	1.4
127.07610	6.3
129.01927	1.8
143.03485	4.6
145.08714	18.0
146.09042	4.9
147.09142	2.2
159.02951	2.2
161.04550	6.7
169.01427	2.5
179.05528	2.2
183.10179	1.4
187.09781	7.6
188.10107	2.9
225.19382	1.6
282.91434	1.7
399.24051	3.1
417.24814	5.4
561.29126	84.8
562.29620	5.3
579.30212	59.4
579.38110	1.1
579.39630	2.0
580.30444	4.1
621.31177	19.3
633.25330	2.4
665.27112	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	665.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
60.32125	0.1
69.22719	0.7
70.43132	0.1
79.32664	0.1
84.93011	0.1
87.00874	0.2
95.01385	1.0
96.02170	3.2
96.02759	0.2
108.91497	0.1
109.78698	0.1
111.00887	0.7
123.00881	1.8
124.01656	7.0
125.02435	0.2
128.01173	0.1
138.03270	0.2
139.00430	0.2
151.00394	0.3
152.01144	7.3
153.01875	0.2
165.01906	0.9
166.02699	2.3
166.04001	0.2
179.03427	0.1
184.00137	0.8
208.07515	0.1
223.20708	0.3
249.22249	0.1
275.19894	0.2
293.21204	5.3
294.21542	0.2
303.19675	0.2
321.20673	100.0
322.21024	3.9
665.40277	7.9
666.40192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01905	1.5
59.01379	10.7
60.12452	1.3
69.86166	3.3
71.01388	9.5
72.68743	1.2
73.02953	2.9
83.01392	2.0
85.02937	3.0
87.00886	3.9
89.02428	4.9
97.02940	1.3
101.02445	4.6
109.06587	1.3
113.02455	5.7
125.02371	1.4
143.42343	1.3
145.04999	2.3
161.04538	1.8
231.17522	1.3
235.08203	6.4
239.16547	1.4
256.68286	1.2
275.16766	2.0
276.92813	1.3
325.25485	2.1
343.26282	3.2
351.23276	3.1
359.25989	6.5
361.27585	1.8
369.24249	7.1
382.87347	1.4
387.25388	29.7
405.26447	21.1
479.30072	1.3
595.34851	1.7
623.34332	100.0
624.34460	6.7
651.67749	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	666.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67888	1.5
54.00915	1.5
59.01374	8.3
61.98829	11.7
71.01381	6.7
73.02964	1.8
74.13662	1.6
83.57133	1.4
89.02447	2.5
101.02434	6.1
102.51399	1.5
111.91258	1.8
113.02431	2.8
125.02407	2.6
145.05020	2.2
158.99857	1.5
235.08235	4.1
275.16275	1.7
325.25455	1.5
359.25931	1.7
361.27429	2.4
369.24252	7.3
387.25409	24.8
405.26526	16.7
454.47559	1.5
465.84052	1.7
623.34351	100.0
624.34583	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	667.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58797	3.7
59.01374	5.4
67.76991	3.2
73.50137	3.2
84.98489	3.0
85.02961	5.0
93.21098	3.4
121.06583	4.5
123.00877	3.1
125.02419	5.9
137.06068	4.6
139.07600	3.4
141.01884	4.7
149.06097	6.5
153.01935	6.6
154.02698	14.3
155.07129	4.5
165.05576	9.1
166.02742	5.2
167.03532	3.8
177.04181	5.5
177.05566	47.9
193.05014	12.6
195.06647	25.1
199.06042	4.9
209.04411	4.5
211.06111	5.5
227.05582	26.1
239.05582	100.0
255.05125	79.6
256.05756	6.9
401.10904	53.1
418.11145	10.4
443.11923	51.4
460.12115	8.1
623.18341	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	669.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
59.01390	2.4
65.48682	2.0
69.66282	7.4
71.25480	2.1
88.54310	1.7
97.02938	2.3
109.02940	4.5
111.04543	3.9
120.45374	2.0
125.01073	1.9
125.02445	40.4
137.02423	13.4
139.04037	8.6
147.22623	2.1
148.71257	2.0
164.01103	2.9
165.01918	13.8
167.03481	8.1
177.01903	4.5
179.03436	10.2
192.00671	18.5
193.01279	3.3
194.02170	5.1
207.03038	10.4
219.06612	6.2
221.04559	5.1
234.01666	5.6
249.04036	4.6
261.07700	4.3
264.29251	2.0
278.84357	1.9
285.12448	2.3
305.06650	100.0
306.06802	4.0
312.04788	4.2
327.07199	32.8
341.00494	3.1
341.04218	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	669.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94323	1.7
57.03394	1.7
59.01369	3.0
66.41920	1.5
83.01381	2.5
88.98818	3.2
109.02937	3.9
111.04503	4.9
121.02961	2.7
123.00892	3.5
124.01749	2.0
125.02444	54.4
137.02440	14.9
138.03172	2.0
139.03975	9.0
161.02431	2.8
164.01141	5.3
165.01944	12.7
166.02727	2.5
167.03514	12.9
169.01450	2.3
177.01958	5.1
177.05518	3.9
179.03513	8.4
190.02766	1.9
192.00664	28.1
193.01364	6.1
193.04881	4.8
194.02144	5.9
205.01512	1.9
206.02124	1.9
207.02977	15.0
219.06589	7.2
221.04514	2.8
222.01656	2.7
234.01706	10.2
243.06769	1.8
249.04033	4.4
261.07419	2.3
283.07910	4.8
305.06650	100.0
306.07141	2.8
312.04916	5.9
327.07220	43.7
341.00244	4.2
341.04135	4.0
341.10834	3.6
363.12781	6.7
654.24854	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	669.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54955	0.4
56.07780	0.4
56.86047	0.4
59.01362	1.4
69.26662	1.9
71.01383	1.6
72.99294	0.5
73.02922	0.5
75.00883	0.7
83.01378	0.6
85.02946	1.3
87.00856	0.6
88.98766	0.5
93.03424	0.4
95.01389	0.7
96.96004	1.6
99.00842	0.6
101.02427	0.5
108.02152	0.5
113.02436	1.1
116.92805	0.6
121.02989	0.8
121.78840	0.4
122.03737	0.4
123.00861	1.6
123.04517	0.7
124.01676	0.9
125.02440	4.5
133.02934	0.8
135.04492	0.4
136.01631	1.6
137.02437	1.4
138.03194	1.3
149.02444	2.9
150.03239	2.9
151.03964	1.0
153.01927	0.5
153.05598	1.7
161.02457	3.3
162.03206	1.6
163.00443	0.5
163.03929	0.4
164.01137	7.4
164.04790	1.3
165.01909	1.4
165.05574	3.0
166.02705	0.6
166.99831	0.9
167.03462	0.6
169.01360	1.1
175.03940	0.4
177.01918	1.7
177.05515	0.5
178.02589	0.5
178.99847	2.3
179.07129	0.5
182.02180	2.2
189.01987	0.6
190.02744	3.6
190.99893	0.7
191.03442	0.7
192.00636	100.0
193.01385	18.0
194.02142	2.8
195.06604	0.8
197.04507	3.5
205.01462	1.9
205.05055	0.5
206.02254	2.3
207.02977	48.2
208.03403	1.3
219.03024	0.5
221.00961	1.2
222.01662	1.2
223.06122	1.0
232.03799	1.6
233.00873	0.5
234.01691	10.3
235.02324	1.2
237.04034	0.5
249.04001	5.7
249.06262	0.8
267.07166	0.6
285.03995	1.1
287.05566	0.6
291.04932	0.8
294.03854	0.9
309.06152	6.1
449.10745	1.0
472.12451	0.8
492.08926	0.9
507.11414	61.0
508.11731	3.7
631.09229	0.5
669.18750	6.3
669.29199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61517	0.6
59.01368	3.7
61.68603	0.6
69.69075	2.6
69.88314	0.7
71.01377	2.3
73.02966	0.7
81.03429	0.8
85.02935	1.0
89.02463	0.9
93.03442	2.0
96.96000	1.4
101.02432	1.7
103.24301	0.6
105.03454	1.2
108.02127	0.8
109.02930	2.6
119.05051	0.7
121.02930	4.3
123.00932	0.9
123.04491	2.9
124.01687	0.9
125.02426	3.9
135.04521	1.8
137.02454	6.4
139.03963	1.2
140.01227	0.7
145.02951	2.0
148.01617	0.9
149.02415	6.4
150.03183	1.0
151.03967	3.7
153.01884	1.1
157.01909	0.7
160.31133	0.6
161.02466	3.5
163.03934	1.3
164.01134	1.9
165.01918	12.1
167.03467	1.6
169.01408	4.7
171.10139	0.7
173.02402	1.3
177.01894	2.1
179.03479	1.5
189.01924	1.6
191.03506	1.7
192.00620	4.6
193.01404	100.0
193.52612	0.7
194.01830	2.9
195.02965	1.1
206.02112	1.0
207.02972	11.0
211.13455	1.1
235.02457	8.6
279.23141	0.7
397.13458	1.1
511.61374	0.8
639.17029	14.6
640.17316	1.2
651.16876	5.3
669.18280	32.6
669.30170	1.2
670.18506	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	669.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03444	2.6
59.01374	26.3
61.98816	3.3
66.41267	0.9
68.99795	2.5
69.03461	1.7
69.40023	2.2
69.40410	2.5
71.01379	14.2
71.30359	0.9
72.99300	5.7
73.02952	1.7
75.00867	13.9
83.01373	1.8
85.02943	14.1
87.00856	4.2
89.02431	2.8
90.89181	0.9
93.03451	3.3
95.01402	5.0
97.02968	1.0
99.00889	8.6
103.00385	1.3
109.02945	2.2
111.00879	1.8
113.02448	14.8
115.00357	2.3
116.92828	1.4
117.01927	1.6
121.02961	6.1
122.03740	5.4
123.04506	3.0
125.02431	8.8
129.01932	2.5
134.03677	1.4
135.04495	2.1
139.03995	1.4
140.34485	1.1
146.03694	2.7
149.02431	21.3
150.03217	37.0
151.03975	4.3
157.01424	1.3
161.06099	1.4
163.03981	3.2
164.04790	18.6
165.05562	33.7
166.05885	1.1
167.03468	3.0
169.01401	2.4
174.99181	5.0
175.00482	1.5
175.02438	2.4
176.01140	1.7
177.01936	2.6
178.06311	2.6
179.07133	7.4
180.04280	1.1
181.05020	2.1
190.02675	4.1
191.03479	2.5
193.01346	3.6
195.06642	7.2
205.05066	3.4
207.02971	1.2
208.03748	6.8
209.04579	1.3
217.00270	21.0
223.06111	15.5
231.05025	2.4
243.02940	1.3
249.06110	24.5
253.07080	1.3
264.80753	1.0
267.07184	3.1
281.18317	1.1
282.07471	1.8
297.09747	1.4
311.07581	1.3
411.12650	2.6
455.12061	1.8
471.11795	1.2
472.12299	6.7
473.12830	6.5
486.77917	1.0
487.14371	1.9
527.14166	1.6
651.18774	2.3
669.20239	100.0
670.20746	5.6
681.66370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02452	1.6
59.01377	31.8
61.84816	1.5
69.03434	2.1
69.34098	4.1
71.01372	17.8
73.02940	5.0
83.01390	2.9
83.04999	1.9
85.02949	4.6
87.00862	4.2
89.02451	16.2
95.01364	2.9
96.96016	1.8
97.02914	2.7
99.00908	1.4
101.02443	13.0
109.02973	1.7
113.02424	8.4
119.03539	4.1
125.02443	24.0
137.02441	1.5
139.04041	1.7
143.03557	2.8
145.02914	1.7
161.02448	7.8
161.04541	2.8
165.01868	2.0
167.03473	1.4
169.01398	25.4
177.01869	3.8
179.05630	3.0
183.13846	7.6
189.01839	1.8
191.03441	1.6
192.00615	3.0
193.01402	12.3
193.12422	2.3
211.13387	100.0
212.13657	3.1
217.01353	1.9
221.06573	1.5
235.08209	7.0
301.07129	6.3
305.08725	1.7
341.06412	2.2
379.12708	1.6
397.13458	69.8
398.14056	2.5
415.14523	27.6
463.10110	4.4
469.11594	1.5
478.84027	1.6
481.11725	3.1
609.27582	15.5
669.18451	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
57.60397	0.5
59.01374	5.7
61.86018	0.5
61.98840	0.6
64.08823	0.5
69.03460	1.3
69.59704	2.0
71.01389	3.0
71.05025	0.8
72.99302	0.7
73.02972	0.8
80.02693	1.5
81.03456	1.2
83.01421	0.6
83.05019	4.4
84.02206	0.8
85.02980	0.9
85.06607	0.6
87.00922	0.7
89.02437	2.9
95.01417	0.5
95.05020	1.2
99.00853	0.6
101.02464	2.3
102.16451	0.5
109.06591	1.4
113.02473	1.7
125.09741	1.1
135.08199	0.5
161.04561	1.8
163.11273	3.1
165.12881	1.7
167.10793	2.6
169.01389	0.6
171.10211	2.7
179.05618	0.7
179.10802	1.1
179.14380	2.8
181.12317	0.8
191.10849	0.9
193.93008	0.6
195.13898	8.1
205.12309	8.5
207.10228	0.6
209.11824	100.0
210.12190	3.6
211.13280	1.0
223.13383	80.7
224.13824	2.7
225.11299	0.6
227.12862	14.1
235.08246	2.7
253.09222	8.2
261.14993	1.2
294.81537	0.6
371.21368	0.5
415.25101	0.5
441.21219	0.8
445.20483	1.5
459.22382	8.0
625.79944	0.6
633.32751	1.0
651.33423	1.2
669.30902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76196	0.4
57.03445	0.4
58.67365	0.4
59.01374	1.3
61.98827	100.0
64.82124	0.4
71.01369	1.1
71.44958	0.4
73.08338	0.3
75.00893	0.5
85.02954	0.8
85.61334	0.3
95.01397	0.5
99.00919	0.4
113.02448	0.6
113.11022	0.4
121.03026	0.4
122.03726	0.4
123.04549	0.5
124.57194	0.4
125.02441	3.1
136.01669	0.6
149.02446	1.3
149.05988	0.4
150.03308	1.8
151.03938	1.5
152.01122	0.4
164.04782	0.6
165.05516	1.2
166.05978	0.6
167.03514	1.4
169.01384	0.6
177.02016	0.5
195.06557	0.5
209.61223	0.4
223.06187	0.7
227.20374	0.4
237.14954	0.9
249.06145	0.7
253.14389	0.4
265.14456	6.7
281.13950	13.1
282.14526	1.2
295.15491	0.6
322.18829	0.5
427.19727	0.5
438.11517	0.5
444.19958	1.6
445.20874	0.7
472.11969	0.5
486.29630	0.5
607.26062	12.6
670.20447	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
59.01379	29.9
69.03445	1.6
71.01379	23.9
73.02946	3.1
75.18982	1.7
81.03480	1.7
83.01344	1.8
84.69622	1.6
85.02960	12.4
87.00874	4.2
89.02445	16.6
95.01383	2.5
97.02934	6.6
101.02440	11.9
104.20979	1.5
105.01958	1.7
108.90204	10.1
110.89905	6.9
113.02444	21.7
119.03514	4.9
125.02431	21.2
131.03519	2.5
143.03502	16.6
149.04613	3.0
161.04559	6.8
165.04082	3.3
179.05586	4.6
198.99110	1.4
213.58984	1.5
232.06027	1.4
258.76602	1.9
267.07132	2.2
314.29150	1.7
323.09726	5.6
341.10977	2.4
383.86005	1.7
435.78543	1.8
455.14105	8.8
473.15222	5.8
503.16266	5.6
635.20325	100.0
636.20380	3.6
671.18237	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	671.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01160	0.4
59.01379	4.4
59.58777	0.4
64.36911	0.5
70.63918	0.8
71.01378	2.8
79.05524	0.8
81.03429	0.8
85.02931	0.5
87.00871	1.2
89.02424	2.6
91.05526	4.2
93.36101	0.4
101.02442	1.6
105.07082	1.1
107.05035	4.1
108.02166	9.2
109.02931	1.7
113.02444	1.6
115.00388	0.5
117.01953	1.0
121.06598	2.9
122.03722	1.0
123.04514	20.8
123.40538	0.4
124.58991	0.5
125.02435	1.1
133.01427	0.8
133.06607	0.6
135.04520	12.1
135.05495	1.1
137.06088	13.7
137.07143	0.9
138.06508	0.5
147.04550	0.9
149.02414	1.2
149.06065	6.8
149.46994	0.4
152.01129	10.4
159.04442	0.5
161.04599	0.9
161.06120	1.0
163.03972	0.8
165.05557	14.3
167.03488	29.2
168.03821	0.6
177.01955	0.9
177.05560	3.3
179.03491	17.9
179.05533	1.2
179.07074	0.9
180.03906	0.6
181.05005	0.7
189.05577	1.7
191.03458	4.0
192.00533	0.9
193.05092	1.1
195.06638	3.2
205.05043	1.3
207.02927	0.7
209.04533	10.9
221.04489	5.8
233.04547	5.8
239.05550	5.1
251.05569	0.8
285.06183	0.9
285.09830	1.8
311.07770	0.9
327.06955	0.7
329.08740	100.0
330.09024	3.6
341.10791	7.5
342.57779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.5
61.98819	2.6
71.98646	1.9
81.03465	2.5
83.01382	4.2
84.77669	2.0
93.03474	3.0
95.05004	2.0
108.02129	2.3
109.02936	7.6
111.04523	7.3
116.95910	1.9
120.09740	1.9
121.02952	5.2
123.00835	3.8
123.04522	8.9
125.02448	100.0
126.02746	2.4
133.02925	2.7
135.04483	2.3
136.77229	2.1
137.02452	29.3
139.04034	10.4
149.02417	8.2
151.03993	6.1
161.02448	2.2
163.03899	2.0
164.01233	3.9
165.01903	12.9
167.03496	19.8
168.00522	2.1
168.03812	3.3
175.03970	8.6
177.01918	76.3
177.05565	3.2
178.02246	3.0
179.03519	12.2
179.07100	2.8
183.02896	2.4
187.03998	4.5
189.05530	2.0
191.03439	2.4
192.00566	2.0
204.04330	3.0
205.01523	3.0
217.04959	3.0
219.06638	10.3
221.04588	5.7
228.04292	2.2
229.05060	6.3
234.31554	1.8
243.02960	7.0
253.05075	3.0
255.02963	21.0
256.03836	3.6
257.04486	3.7
261.04047	3.8
261.07623	2.7
269.04562	3.3
273.04037	7.9
283.02505	15.6
285.03949	5.4
297.04050	7.6
303.05048	10.2
305.06668	64.4
306.07028	2.6
315.05014	2.2
327.07190	2.3
329.08771	4.7
330.09103	2.6
354.17569	1.8
423.07214	85.8
424.07507	4.5
441.08231	67.3
442.08578	5.0
483.09216	9.9
609.12445	31.3
610.12500	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	672.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.2
61.98835	2.9
69.63365	1.7
70.96214	2.2
74.15982	1.6
81.03475	2.0
83.01392	3.2
86.99957	1.6
89.54049	1.5
93.03465	2.2
94.73396	1.5
95.01377	2.1
97.02969	2.1
109.02982	8.8
111.04520	4.2
114.67801	1.5
118.37843	1.7
121.02948	5.5
123.00900	4.7
124.01682	2.4
125.02441	100.0
126.02793	2.8
133.02985	1.9
137.02441	27.0
137.06035	8.4
138.03177	1.9
139.04001	14.2
147.04623	1.9
149.02449	7.2
149.06058	1.7
151.04056	6.8
161.02451	3.1
163.04022	2.0
164.01126	3.3
165.01939	11.9
167.03479	14.0
175.04030	7.9
177.01915	71.8
177.05530	2.7
178.02431	2.5
179.03545	8.8
181.05128	3.7
187.04044	3.5
191.03436	2.1
199.03961	2.8
201.05637	1.8
202.54085	1.9
203.03453	2.3
204.04213	2.7
204.76233	1.6
215.03455	2.9
217.01329	1.7
219.06618	10.1
221.04608	5.0
229.05002	5.0
243.02914	7.4
243.06689	2.2
255.02992	21.2
256.03638	6.0
257.04556	4.6
261.04047	4.1
261.07458	2.5
269.04492	2.9
273.04108	5.8
282.01584	2.1
283.02472	13.6
285.04041	6.5
297.04047	8.8
303.05096	9.7
305.03098	2.8
305.06653	58.9
306.06937	3.2
343.10336	2.2
344.10745	2.5
353.70920	1.7
355.07983	2.7
397.09253	2.3
423.07196	85.6
424.07684	5.1
441.08246	55.6
442.08710	3.3
483.09421	10.7
609.12469	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	673.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26171	63.4
58.71471	54.8
60.08475	62.3
63.51078	56.9
70.34576	53.0
71.55150	52.6
77.04470	61.6
98.21754	100.0
120.38113	63.7
121.02973	72.8
125.02522	55.4
166.83023	54.2
209.04594	76.5
246.93886	63.2
342.87888	58.9
400.37900	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	673.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03453	0.2
59.01368	1.4
65.00323	0.3
66.49525	0.2
69.22221	1.2
71.01379	0.7
76.69641	0.2
81.03457	0.2
89.02448	0.3
93.03466	0.7
96.95986	0.3
101.02451	0.7
108.02142	1.2
113.02473	0.2
121.02962	0.9
122.03748	1.5
123.00934	0.3
123.04517	1.0
124.01670	0.5
125.02424	0.9
133.02985	0.5
135.04509	0.3
136.01682	1.8
138.03229	0.4
145.03035	0.3
148.01694	0.2
149.02406	1.7
149.99574	0.3
150.03223	8.9
151.00356	0.4
151.03900	0.4
152.01137	1.2
153.01985	0.2
160.01660	0.3
161.02429	1.5
162.03192	1.1
163.00363	0.5
164.01154	8.1
164.04767	0.3
165.01790	0.5
165.05553	7.4
166.02692	0.6
167.03494	2.8
175.03987	0.5
175.11264	0.2
177.01913	0.9
177.09164	0.4
178.02629	0.4
178.99854	3.1
180.04260	0.7
181.05125	0.3
189.01923	0.6
189.12793	0.3
190.02718	2.3
190.99896	0.3
192.00636	100.0
193.01324	7.8
194.02156	2.1
195.06584	3.5
205.01439	1.5
205.05087	0.3
206.02194	2.0
207.02969	58.9
208.03302	1.8
209.04558	2.0
220.00113	0.3
221.00870	0.7
222.01675	1.3
232.03766	0.5
233.00838	0.3
233.04250	0.2
233.11818	1.7
234.01672	8.1
235.02466	1.0
237.04002	0.9
249.04036	6.6
250.04472	0.2
269.06650	2.4
287.20145	3.6
291.05002	0.6
294.03723	0.4
305.21295	0.3
309.06146	6.6
310.06369	0.3
315.08569	0.3
327.07373	0.2
331.19119	1.4
339.34995	0.2
349.16235	0.4
349.20181	3.8
363.10925	1.0
405.12021	0.2
410.28693	0.2
462.07727	0.3
463.08380	0.3
477.10300	17.5
478.10663	1.2
493.24194	0.4
511.25491	2.4
564.96893	0.2
613.32178	0.2
625.15552	0.8
655.16125	0.3
673.05890	0.4
673.17535	7.1
673.30414	7.7
674.17554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13462	0.6
59.01369	2.1
61.18293	0.6
61.98819	0.8
62.04454	0.7
69.35034	2.1
71.01383	2.5
73.02920	1.2
83.01392	1.0
85.02937	1.2
89.02406	0.9
89.72275	0.6
93.03442	1.7
95.01393	2.4
96.95986	0.9
101.02428	1.4
108.02150	0.8
108.34378	0.6
109.02937	0.9
111.00806	0.6
113.02472	1.0
117.03460	0.6
121.02950	4.0
122.03728	4.3
123.00886	20.9
123.04525	1.7
124.01669	20.3
125.02465	4.2
132.02177	8.2
133.02934	5.4
134.03743	11.7
135.04535	3.3
136.01640	1.3
136.05319	0.8
137.02431	3.2
137.06018	1.0
138.03233	9.2
139.04012	7.5
146.03738	0.6
149.02448	6.9
149.06082	4.0
150.03220	22.6
151.03969	2.6
151.07658	0.9
160.01656	46.0
161.02444	14.0
161.09766	0.6
162.03043	0.6
164.04810	1.1
165.01926	1.4
165.05556	15.9
167.03491	1.0
169.01427	1.5
175.04001	53.3
176.04387	1.1
177.01926	7.3
177.05562	1.2
178.02684	2.8
179.03511	2.0
179.07088	0.8
180.04282	1.5
181.05049	0.8
193.05058	10.4
195.06567	6.7
221.11853	2.0
235.06117	1.8
265.14517	1.5
268.60477	0.6
279.16034	1.7
282.09091	3.2
282.11829	0.7
287.20184	2.3
297.11337	0.7
309.17035	0.8
323.07681	2.4
331.19073	1.4
337.09293	10.3
341.10266	10.8
348.18930	0.9
349.20065	2.9
389.12241	0.7
403.25732	0.7
405.26450	1.5
423.27075	1.4
449.25317	1.3
467.26608	2.6
476.13147	2.4
477.14014	100.0
478.14264	6.7
485.14520	2.9
493.24039	1.4
511.24939	0.9
531.14972	3.2
625.19269	7.6
626.18842	1.0
655.29663	1.8
673.20978	2.1
673.30914	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	673.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83027	1.9
59.01381	12.0
60.33644	2.0
61.98820	6.1
71.01364	3.5
83.79094	2.5
85.02903	2.2
89.02444	2.7
95.01414	2.2
101.02409	2.8
109.02901	3.7
113.02446	5.2
122.03735	17.5
123.04506	7.9
125.02433	7.5
133.57826	2.4
134.31868	2.1
137.02449	4.8
138.03209	18.3
148.05232	4.3
150.03279	2.7
151.03984	13.7
152.04848	2.9
159.04482	2.6
165.05571	12.0
169.01416	4.5
192.00829	3.2
198.80800	2.5
203.05424	2.5
207.02994	3.2
212.49049	2.3
221.11905	3.1
275.16663	2.4
285.18668	3.1
287.20047	3.8
303.19714	10.7
313.18082	19.0
331.19101	54.1
345.13437	7.8
347.18787	3.5
348.19376	28.1
349.20145	79.0
350.20370	2.9
373.20111	4.7
383.63043	2.3
475.26804	2.4
493.24481	3.3
511.25452	71.1
512.25879	4.0
522.54846	2.6
673.30878	100.0
674.31219	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	673.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
59.01374	4.4
71.01389	2.8
71.96947	0.8
81.03470	1.0
89.02406	1.0
95.05003	1.9
96.95987	0.8
97.06635	1.0
100.94839	0.9
101.02454	1.0
113.02455	1.6
113.45561	0.8
122.03709	1.1
123.04570	1.4
125.02434	2.8
128.95619	0.9
136.05344	4.8
137.02403	1.0
137.06075	4.2
138.03244	0.8
149.06075	3.5
151.04047	1.3
151.07596	1.9
152.01122	0.9
165.05579	1.2
169.03928	0.9
196.03751	1.0
233.11891	1.4
235.13403	11.4
238.46208	0.9
259.17020	2.4
265.14297	0.9
269.18835	0.9
287.20151	49.6
288.20499	2.2
289.18103	1.0
305.21179	9.7
311.19998	2.1
313.18057	5.3
313.35532	0.9
329.20874	1.1
331.19101	10.3
349.20175	96.6
350.20624	5.3
355.19180	1.6
363.21704	2.4
373.20178	2.9
467.26599	1.6
491.68225	1.0
493.24564	2.5
511.17917	1.8
511.25476	32.8
512.25934	1.3
574.35541	0.9
673.30792	100.0
674.31036	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	673.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03445	1.6
59.01379	5.6
59.74081	0.8
60.10659	1.0
65.80373	1.0
69.20433	6.0
71.01385	2.5
73.02962	0.9
81.03429	1.4
85.02933	1.6
89.02446	1.7
95.01398	1.1
95.05052	1.5
96.96017	1.2
97.06591	1.2
98.22728	1.8
101.02413	1.2
109.06586	1.4
113.02459	1.9
121.06579	1.4
123.00916	1.7
123.04530	4.1
123.08161	2.5
123.71037	0.9
125.02463	6.3
136.05287	4.8
137.02487	1.0
137.06068	3.4
141.09209	2.0
149.06052	1.8
151.00372	1.7
151.07637	5.2
169.01430	6.6
177.01927	1.4
189.09242	1.7
199.89926	1.0
207.10249	19.2
221.11623	1.2
251.12933	1.1
269.19189	1.2
277.17905	1.2
279.16321	1.1
287.20209	6.1
305.17633	5.4
305.21252	8.3
313.17996	5.0
318.65967	1.4
329.20990	1.2
331.19144	24.9
349.20187	91.0
350.20529	3.8
363.21686	1.7
373.20200	3.1
423.27515	1.9
448.24304	1.1
449.25476	2.2
467.26443	2.5
493.24539	2.9
511.25665	26.8
655.30066	3.2
673.30865	100.0
674.31799	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	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01376	13.9
61.98821	7.2
69.86932	3.1
71.01379	51.1
73.02932	3.0
78.95898	1.8
81.03452	2.6
83.01384	1.5
83.05019	3.7
85.02952	3.5
87.00871	1.6
89.02447	4.7
91.03995	1.2
95.05040	1.6
97.02940	2.8
99.00842	2.2
101.02448	6.2
109.06588	10.3
113.02445	3.1
119.03488	1.7
125.09710	1.8
134.38362	1.1
152.99652	1.8
161.04605	3.2
161.09714	1.4
163.11311	9.0
165.12886	2.9
171.10214	8.0
181.12360	4.1
183.13905	11.5
189.09212	1.6
189.80788	1.3
193.12305	2.0
199.13356	16.3
201.11302	4.8
207.10245	31.3
209.09793	2.2
209.11824	45.7
210.12144	1.9
211.13391	100.0
212.13731	4.6
225.11330	20.8
226.11674	1.3
227.12885	36.5
228.13208	1.6
229.14490	1.7
235.08173	4.3
243.12230	1.9
247.13484	2.1
253.09262	16.6
307.04944	1.3
339.23447	1.4
357.24225	2.3
373.23856	2.3
383.22168	2.4
391.24838	3.1
401.23227	6.7
419.24277	4.4
443.18927	2.1
447.22113	1.3
461.20175	7.8
463.21646	7.3
599.59442	1.2
637.32318	5.4
655.33258	12.1
656.33783	1.8
673.34149	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	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11031	0.5
58.73084	0.5
58.78597	0.5
59.01369	2.1
61.98830	1.0
64.76369	0.5
71.01380	1.7
71.45280	0.6
74.95480	0.6
80.02684	0.6
80.03320	0.7
81.03459	1.1
83.01382	0.6
83.05040	4.4
84.02161	0.8
94.68937	0.7
95.05041	0.7
98.48142	0.5
101.02434	1.5
103.27592	0.5
112.15801	0.5
113.02470	0.8
119.03503	0.9
123.08241	0.5
125.09738	0.6
127.12057	0.5
137.02504	0.8
161.04552	0.7
162.74231	0.6
163.11282	3.2
165.12865	1.8
166.11992	0.6
171.10260	1.3
191.10849	0.7
199.13493	0.7
209.11823	100.0
210.12186	2.9
211.13280	0.8
227.12871	14.4
227.15015	0.9
235.08214	1.4
245.36969	0.6
247.13354	0.7
253.09279	5.8
333.77460	0.6
341.09799	0.6
364.24533	0.6
445.20676	1.0
589.74756	0.8
594.95953	0.7
637.32770	1.2
655.33228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43654	0.3
50.86820	0.3
59.01374	51.2
69.88092	0.3
69.88416	0.8
73.00234	0.3
85.44086	0.3
90.97129	0.5
132.98204	1.5
157.03528	0.4
174.99231	28.0
192.95789	0.3
199.98648	0.4
201.02547	3.8
202.02840	0.4
217.00275	100.0
218.00633	1.2
327.61230	0.4
359.01453	10.3
359.05969	0.6
360.01517	0.5
374.99173	62.8
375.99542	1.2
479.30072	0.3
517.00519	2.2
532.98126	16.0
533.98254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14277	1.1
65.00328	3.6
65.03961	1.8
65.43098	1.0
69.96304	1.0
79.01884	1.2
81.03445	8.3
83.01418	1.1
91.01879	1.6
93.03458	17.6
96.02184	1.4
96.96015	1.7
97.02957	2.1
109.02956	25.6
118.94930	1.2
121.02933	2.2
124.00823	2.1
124.01657	25.4
125.02490	7.2
131.05022	3.4
135.00909	1.8
136.28203	1.1
137.02449	99.9
138.02817	2.2
139.04013	45.9
143.05009	2.2
147.04501	3.0
148.01613	1.4
149.02373	1.7
151.00363	3.8
155.04970	2.2
156.05809	4.4
159.04506	7.8
161.02357	1.9
162.03172	1.2
163.00377	9.4
165.01918	10.2
167.03424	2.0
169.01428	1.8
171.04523	12.1
172.05316	12.4
173.02376	1.9
174.03223	5.4
175.03976	3.4
176.04697	2.0
177.01926	3.2
178.02721	5.4
178.99818	5.6
183.04478	8.6
185.02394	1.5
187.03993	4.9
188.04774	3.3
189.05547	1.5
190.02718	2.9
192.00650	3.6
193.01427	7.5
194.02139	2.2
198.03238	3.1
199.04018	19.2
200.04788	38.1
201.01910	2.2
202.02823	1.1
203.03540	10.0
214.02921	1.2
215.03638	15.5
215.07112	44.5
216.04257	12.2
216.07396	1.3
226.02724	2.9
227.03511	13.7
228.03943	1.1
230.05827	2.0
231.06708	5.4
234.01659	1.1
235.06166	3.8
241.05054	6.7
243.02908	7.6
244.03767	21.6
246.01593	2.6
259.06110	42.6
260.06326	1.6
261.04080	14.3
271.02460	22.0
275.05685	1.8
303.05099	100.0
304.05426	2.0
305.06589	1.8
312.04785	2.1
327.07086	5.1
347.04025	22.5
354.67657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01378	11.9
61.98820	1.0
71.01380	6.1
71.45018	0.7
73.02938	3.6
73.61225	0.5
82.95385	0.7
83.01371	1.2
83.05024	1.4
85.02934	2.5
86.56541	0.5
89.02446	4.8
95.01376	0.6
96.96019	2.7
98.03694	1.1
99.04516	15.3
101.02456	4.2
108.52386	0.5
111.00916	1.2
113.02466	3.8
119.03483	1.6
121.02879	0.6
121.06581	0.6
124.01736	0.7
125.02477	3.2
131.03487	0.6
135.08173	1.9
143.03452	0.8
152.42647	0.5
161.02451	0.7
161.04561	1.5
169.01451	0.7
171.10327	0.7
179.05612	1.0
185.11743	0.7
201.11105	0.5
203.14395	10.6
209.11742	1.9
210.12045	0.7
211.13414	0.8
212.43416	0.5
221.15448	38.1
222.15810	1.5
225.11235	0.7
232.77827	0.5
235.16891	0.9
247.13379	1.7
265.14429	100.0
266.14795	3.6
289.14511	1.3
307.15552	3.2
387.23883	0.7
427.19742	11.9
469.20721	18.4
470.21182	1.4
675.39185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20467	28.4
61.98807	52.1
64.21268	29.1
64.48783	33.8
64.72393	33.6
67.10526	27.3
69.59061	100.0
86.58821	31.2
88.24755	33.5
97.02217	31.1
125.02426	54.3
163.97473	37.5
169.01410	35.3
177.45152	29.9
221.76561	36.9
507.02731	32.6
675.30768	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	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03437	1.6
59.01378	56.2
61.98840	1.7
69.03444	2.8
71.01379	42.0
72.99318	1.6
73.02940	6.1
75.00903	0.9
78.95901	1.8
81.03445	1.7
81.45332	0.8
83.01382	4.5
85.02937	7.0
87.00877	9.4
88.19466	0.9
89.02441	34.8
93.80439	1.0
95.01372	2.2
97.02961	6.3
99.00879	1.6
101.02438	29.5
109.02933	1.1
111.00843	1.1
111.22330	0.7
113.02447	15.8
115.76610	0.8
119.03503	10.3
119.72363	0.8
125.02456	14.5
127.44106	0.9
131.03513	1.4
133.05074	1.0
143.03500	6.0
149.04559	1.5
152.99449	1.2
159.08212	0.8
161.04550	8.2
169.05133	0.9
179.05577	7.1
185.04660	0.8
216.11340	0.8
217.07158	0.8
221.06625	2.5
235.08214	13.9
253.09271	3.2
263.07596	1.2
277.21732	100.0
278.22028	3.5
287.07764	5.0
301.71155	0.9
305.08743	3.5
323.09836	0.9
379.12222	1.4
397.13489	96.4
398.13757	2.9
415.14539	38.6
416.14514	1.1
547.30096	0.9
575.50800	0.9
675.34875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39940	0.2
54.03421	0.2
55.01874	1.7
57.03443	1.2
58.00597	0.8
59.01377	58.6
61.98839	0.8
65.56950	0.2
68.99807	0.5
69.03453	2.5
69.71320	0.5
69.71680	0.4
70.72604	0.2
71.01379	40.1
72.99299	1.5
73.02945	7.0
75.00871	1.0
78.57937	0.2
78.95909	0.6
81.03456	1.8
83.01383	4.5
83.05046	0.6
85.02945	8.4
86.00099	0.4
87.00875	9.2
87.04537	0.4
87.85250	0.2
89.02443	35.6
91.04018	0.8
93.03463	0.5
95.01383	3.2
97.02945	7.3
97.06608	0.2
99.00873	2.5
99.04522	0.7
99.30758	0.2
101.02441	32.2
102.90446	0.2
103.00390	0.4
103.04031	0.4
107.04997	0.2
109.02945	0.8
111.00883	0.6
111.04533	1.2
113.02448	16.4
114.02720	0.2
115.04022	0.8
119.03497	11.5
121.02978	0.7
123.00905	0.5
123.04488	0.4
124.01677	0.6
125.02442	13.5
127.03996	0.6
127.07674	0.3
129.01907	0.3
131.03513	2.1
133.05052	1.2
139.04036	1.1
141.01915	0.5
141.05518	0.3
143.03497	6.4
145.05043	0.3
149.02417	0.4
149.04536	1.1
152.99561	0.4
157.04999	0.4
161.04553	8.0
167.03493	1.2
169.05020	0.5
171.02962	0.2
179.05598	7.4
179.07155	0.4
181.05087	0.3
185.04550	0.9
197.87706	0.2
199.06110	0.9
203.05632	0.5
217.07129	1.5
219.05003	0.5
221.06644	2.5
233.22672	0.4
235.08217	14.5
236.08765	0.2
245.06664	0.9
253.09264	3.8
259.20587	0.4
263.07675	1.3
275.20200	0.4
277.09329	0.8
277.21707	100.0
278.22031	3.1
287.07709	3.9
291.23273	0.3
305.08734	4.5
323.09744	1.5
361.11411	0.5
379.12366	1.4
379.34180	0.2
397.13464	97.4
398.13828	2.5
415.14532	41.7
416.14807	1.2
593.27362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.0
59.82413	0.8
69.25427	2.9
69.25822	1.6
121.02898	0.9
124.01673	2.6
125.01606	1.3
125.02444	13.0
126.02780	1.4
126.92179	1.2
136.01613	1.0
137.02457	2.0
138.03209	1.1
149.02383	1.1
150.03084	1.0
151.03989	1.4
152.01106	1.8
153.01903	1.1
161.02435	2.5
162.03226	2.5
164.01167	5.3
165.01936	2.1
166.02733	5.0
167.03467	4.5
168.00648	1.2
169.01382	3.4
173.02441	1.1
177.01917	9.1
178.02568	2.6
178.99838	3.6
180.00603	1.2
182.14189	0.9
189.01852	1.9
190.02684	5.8
190.99863	7.2
192.00635	100.0
193.01402	39.5
194.02155	14.4
194.99318	1.8
204.00795	0.8
205.01379	4.4
206.02180	6.1
207.02971	51.3
208.00044	1.2
211.02376	2.0
213.01933	1.0
213.98845	3.1
217.98286	4.2
219.03067	1.2
220.00044	1.2
221.00899	3.3
222.01663	6.8
229.98347	2.5
233.00917	4.7
233.96472	1.5
234.01663	22.2
237.04044	3.8
245.00755	1.8
245.97733	4.8
247.02324	1.2
247.98206	1.1
249.04059	11.3
259.02347	1.1
267.99951	1.2
273.99655	2.0
275.01685	1.0
305.06506	1.0
312.04861	16.8
327.07190	88.7
328.07584	2.5
334.02930	2.3
349.05371	72.3
350.05911	2.2
393.04181	6.3
409.06473	1.5
409.26453	1.1
422.01105	1.0
449.70050	1.1
551.68658	1.0
557.08356	10.2
677.12744	17.8
678.12494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62687	0.7
57.03437	1.0
57.62510	0.7
59.29834	0.6
87.22446	0.6
87.50483	0.7
93.03432	1.0
93.68607	0.6
121.02952	0.9
123.00900	0.9
124.01653	3.0
125.02449	9.5
126.02824	0.9
133.02980	0.9
136.01636	1.2
137.02440	2.8
138.03207	1.0
139.03999	1.1
149.02431	0.7
150.03148	0.8
151.00327	1.9
152.01154	1.4
156.59282	0.7
161.02457	3.0
162.03236	3.1
163.00372	1.4
164.01143	5.2
165.01865	1.2
166.02745	4.2
167.03496	4.9
168.00577	0.9
169.01421	2.5
173.03864	0.7
173.43741	0.7
175.04027	0.8
177.01897	6.2
177.99101	0.8
178.02600	2.3
178.99883	3.9
179.03468	1.0
180.00610	0.8
183.02998	1.6
189.01918	2.8
190.02718	7.2
190.99858	6.5
191.07120	0.7
192.00644	100.0
193.01395	42.3
193.98671	0.8
194.02191	17.7
194.99342	1.2
195.02803	0.7
203.03471	1.0
205.01408	5.7
205.04942	0.9
206.02155	6.0
207.02971	51.4
208.00107	1.0
208.03194	1.2
209.00922	1.3
211.02480	3.9
213.01949	2.0
213.98840	2.6
217.98323	4.2
220.00082	0.9
221.00941	3.3
222.01758	7.0
223.02391	1.4
229.98303	2.7
230.99161	0.8
231.02975	0.9
233.00873	5.7
233.96652	1.2
234.01680	27.3
235.02414	1.1
237.04042	4.9
241.98116	1.3
245.00606	1.7
245.97818	5.3
247.02356	1.8
247.97975	1.6
249.04030	11.8
255.99890	0.8
257.00677	1.5
259.02252	0.8
263.01807	0.7
273.99738	4.2
275.02002	1.0
303.05020	0.9
304.01108	0.7
305.06595	2.5
312.04865	18.9
313.05060	0.7
327.07202	89.1
328.07516	3.2
334.03012	2.3
349.05371	77.3
350.05710	3.1
367.06253	1.0
393.04434	8.3
409.06458	2.1
419.99561	1.1
422.01837	0.8
438.01181	0.9
557.08112	9.2
558.08551	1.3
677.12646	19.1
678.13196	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	677.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.5
59.01374	1.1
60.41816	0.2
69.51463	1.0
71.01376	0.6
77.03986	0.3
81.03449	1.9
83.01375	3.0
83.05014	2.1
84.45469	0.3
85.02945	0.4
87.66390	0.3
93.03486	0.3
95.05040	2.1
98.22615	0.6
105.03463	4.3
109.02970	0.6
116.92860	0.9
121.02964	0.7
124.01629	0.5
125.02443	100.0
126.02750	1.5
133.02951	1.1
134.03737	1.1
134.79051	0.3
137.02435	4.6
138.03136	0.3
145.06697	0.4
147.04449	0.3
149.02475	1.5
149.06050	0.3
150.03217	1.5
151.04050	0.3
153.34282	0.3
160.01665	0.5
161.02437	49.7
162.02823	1.4
165.01933	1.3
165.05594	2.3
166.02779	0.3
173.06094	0.4
175.03993	0.7
177.01944	0.4
177.05539	3.0
178.02689	0.6
183.04408	0.3
185.02440	0.4
193.05067	4.1
195.06633	1.6
197.06091	0.6
199.04027	0.3
201.01973	0.3
201.05534	1.7
213.93271	0.3
217.05042	0.3
219.06627	0.9
224.17705	0.5
225.05624	0.8
225.16068	1.7
227.03531	0.9
229.01205	0.6
238.98672	0.3
243.06622	1.5
257.04504	0.6
269.04547	4.8
282.09033	0.3
287.05600	12.8
288.06116	0.5
341.10178	2.9
375.12286	0.3
389.12448	2.5
396.01486	0.3
429.21289	0.5
451.32477	0.5
511.15921	0.9
539.15710	0.7
633.19604	0.6
677.27771	0.6
677.49628	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	677.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
61.98825	1.6
71.05012	1.9
78.95918	2.3
82.50431	1.2
98.21851	5.0
123.66295	1.4
182.08891	1.2
195.17555	2.3
237.22211	13.2
238.22563	11.7
239.23085	1.3
243.71837	1.4
245.47009	1.2
265.21677	1.9
293.21262	8.8
294.21536	8.8
295.22000	1.5
308.27280	1.4
337.20227	8.8
338.20758	9.0
339.20648	1.9
350.91754	1.4
481.15164	16.2
495.16919	3.2
539.15588	1.6
540.16309	7.2
555.18707	19.4
556.18958	2.4
572.15521	4.7
579.27997	1.6
641.22351	18.5
642.22754	2.7
677.20178	100.0
678.20251	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	677.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19746	0.3
59.01372	0.6
60.96517	0.3
61.98829	0.5
71.44780	0.4
85.02988	0.6
89.62179	0.4
103.92039	0.4
105.38895	0.4
110.00130	0.5
122.89429	1.3
123.00870	1.1
129.92780	0.5
137.99599	2.2
145.92206	0.7
148.91022	0.9
152.99535	0.4
157.92268	1.2
165.99066	0.7
168.40849	0.4
168.63310	0.4
169.12349	1.1
173.91684	0.5
185.91803	1.2
195.17506	1.4
205.07196	0.6
213.91309	1.1
215.89272	0.7
236.35249	0.3
237.14986	1.0
241.90729	11.4
241.93105	0.8
242.91470	0.8
251.16519	1.4
254.91559	1.7
255.92116	1.0
273.89737	7.7
293.17557	2.6
355.07642	1.3
382.07449	1.6
383.07159	100.0
384.07413	4.9
471.11325	0.5
479.24957	0.8
507.28595	0.5
613.28577	0.5
641.27374	3.6
677.37079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60214	0.6
59.01369	2.3
63.63932	0.6
71.01374	0.8
73.02941	1.5
78.95894	1.1
86.43752	0.8
87.00893	1.3
96.86399	0.7
115.03988	1.0
122.89433	1.2
123.00875	1.9
124.10796	0.6
131.03494	1.4
137.99597	1.8
143.03529	1.3
145.92340	0.8
148.90970	0.8
152.99565	0.8
163.06154	1.4
165.99095	0.9
169.12288	4.3
171.10252	0.8
185.91728	1.7
195.17569	1.4
205.07191	1.5
213.91281	0.9
214.50432	0.6
233.66698	0.6
241.90739	11.8
251.16492	1.8
251.33640	0.7
254.91473	1.5
255.92209	1.2
273.89703	8.4
293.17508	3.7
355.07758	1.9
382.07431	2.0
383.07159	100.0
384.07419	4.5
479.24908	2.7
585.42950	0.8
641.27997	2.6
677.37830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02667	0.4
59.01381	2.3
61.98820	1.8
63.28445	0.4
69.26928	2.1
71.01372	0.8
73.02923	0.8
78.43938	0.5
80.31951	0.5
81.50008	0.4
82.95403	0.4
89.02406	0.4
94.00797	0.4
95.48206	0.4
96.02184	0.6
98.21915	0.7
99.52319	0.4
100.68385	0.4
101.02421	0.7
108.02161	3.0
109.02928	0.4
122.06152	0.4
123.00900	0.7
124.01659	2.5
125.02431	1.0
136.01593	0.6
137.02393	0.8
152.01140	4.1
152.03052	0.5
153.01942	1.4
166.02701	1.2
221.15459	13.2
237.14940	3.6
247.07428	0.5
247.13242	0.5
249.14944	52.9
250.15443	2.3
251.16473	2.3
258.03571	0.4
265.14432	100.0
266.15042	9.6
267.15918	2.1
277.14542	0.7
279.16040	2.8
280.49802	0.4
316.80750	0.4
321.61670	0.4
411.20016	2.0
428.20462	12.2
429.21103	1.7
453.21378	0.5
470.21536	12.6
471.22122	2.5
529.87799	0.4
633.27582	26.7
634.27979	2.0
686.17419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98852	1.7
64.69979	0.7
69.32384	2.0
69.32793	1.4
71.01402	2.9
78.95945	0.7
83.01410	1.1
84.27610	0.7
85.02943	1.0
88.31750	0.6
89.02463	1.5
94.31091	0.6
95.01389	1.1
95.45505	0.7
96.02196	0.9
101.02451	1.6
108.02184	4.7
109.02955	1.1
111.00877	0.7
113.02481	1.1
116.92868	0.9
121.03007	1.0
122.03827	0.9
123.00919	2.8
124.01669	13.4
125.02456	1.9
134.03761	0.9
137.02467	1.0
139.00380	6.6
140.47746	0.6
146.03735	0.7
150.03249	1.6
151.03960	0.8
152.01195	1.4
161.02498	0.8
161.04649	0.8
164.04845	1.0
165.01987	0.8
183.02954	1.1
193.86412	0.6
209.19208	1.5
233.19188	0.9
245.19156	1.1
251.12883	1.3
261.18466	1.1
265.18048	1.7
269.70450	0.8
271.16885	0.9
273.18558	2.3
279.19559	0.9
287.16177	1.0
289.18179	3.5
299.16470	4.7
305.17590	5.3
307.19016	1.3
315.16113	0.8
317.17551	10.3
318.17526	0.8
319.19098	0.8
323.18652	11.6
333.16818	3.2
335.18625	88.2
336.18976	4.6
337.19980	1.0
349.20081	0.8
351.18103	100.0
352.18723	15.7
353.19290	0.7
365.19751	1.5
377.19482	2.3
497.23785	1.7
514.24194	11.0
515.24854	1.8
605.17200	1.0
675.13928	0.8
677.30182	81.3
678.30707	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	677.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	22.7
64.78792	10.8
67.81669	10.7
69.13406	10.2
69.44255	21.6
69.44658	33.8
85.44461	9.3
96.96021	11.5
104.70409	10.1
118.20156	11.8
120.97598	10.8
125.02417	18.1
131.71432	10.9
175.45319	10.8
211.13353	100.0
226.11540	10.1
468.42322	10.6
576.34070	13.2
589.37982	14.5
623.34338	36.8
641.35760	16.2
677.33209	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	677.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42291	11.6
59.01379	34.0
61.98847	21.9
67.74507	12.3
70.96803	17.4
78.95901	17.6
104.62066	12.6
152.99567	14.9
156.22418	12.7
211.13429	100.0
388.18094	12.5
429.54019	11.4
446.45367	12.6
447.22046	20.0
677.33594	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	677.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07428	8.5
59.01368	33.9
61.98819	14.7
69.70807	29.2
73.45101	6.5
78.95898	9.7
79.39964	8.1
80.33018	7.1
96.95968	8.7
97.16708	9.4
98.22620	17.5
139.24936	8.2
171.10252	31.7
172.10609	8.4
209.11659	10.3
211.13406	100.0
212.13692	17.3
356.89160	8.9
371.35074	8.7
447.21585	15.7
623.34149	13.7
641.35284	15.6
677.32788	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.2
61.98822	16.0
63.98618	4.9
70.09029	12.0
78.95904	7.4
83.24586	4.6
93.72150	4.2
93.78622	4.1
94.38940	5.1
96.95995	5.6
104.90016	4.6
125.28587	5.5
169.01414	6.1
171.10214	27.0
172.10493	11.0
211.13361	100.0
212.13817	10.5
247.98036	4.6
253.09409	6.0
271.51056	4.6
286.86667	4.8
330.25345	4.6
340.21494	4.5
418.83160	5.5
447.22342	17.3
448.58163	5.5
623.33923	24.2
641.35406	16.0
645.34283	11.6
651.40234	5.2
677.33191	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.7
59.01381	25.2
61.98829	4.9
63.03651	1.8
69.05440	1.9
71.01381	10.0
71.52924	2.0
73.02945	2.5
82.95448	3.3
83.05014	3.8
85.02959	2.1
89.02443	5.5
90.50301	1.9
95.05064	2.6
97.06589	8.3
101.02433	8.2
113.02457	3.9
121.29047	1.8
125.02435	5.7
125.09724	5.2
127.11282	5.5
151.11290	22.8
161.02446	3.4
161.04553	2.6
165.12827	3.6
169.01459	2.7
169.12338	100.0
171.10301	11.1
185.00299	2.0
191.10992	2.4
192.00569	2.3
195.10210	2.6
197.11905	2.6
199.09760	3.9
201.11322	43.2
202.11775	2.1
209.11810	54.3
211.13405	4.6
213.11331	13.1
227.12877	7.9
233.11601	4.1
253.09236	10.1
327.21768	6.3
349.19775	6.1
385.42627	2.1
449.20340	5.4
479.30276	2.6
573.23480	2.4
633.31158	37.2
634.32532	2.0
641.31232	2.6
659.32819	91.0
660.32861	5.1
677.23273	3.6
677.33813	45.2
678.34302	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03434	0.9
58.00574	0.5
59.01378	45.1
60.01718	0.4
61.98837	0.5
67.01882	0.4
68.99810	0.6
69.03451	1.9
71.01379	31.6
72.99302	1.1
73.02945	5.6
75.00879	0.5
78.95908	0.9
81.03455	1.9
83.01382	4.0
83.05064	0.5
85.02944	7.3
87.00869	8.2
87.04523	0.5
89.02444	29.3
91.04009	0.5
95.01382	2.1
95.05022	0.7
97.02950	5.6
99.00877	1.6
101.02440	26.0
103.91989	1.0
109.02914	0.9
111.00871	0.5
111.04514	1.0
113.02446	13.5
115.04015	0.9
118.99255	1.1
119.03503	8.3
121.02943	0.7
123.04585	0.4
125.02448	10.8
127.03979	0.7
127.87050	0.6
131.03508	1.5
133.05069	1.0
139.04002	0.7
141.01939	0.7
143.03494	5.8
144.04617	1.0
148.90981	0.6
149.04546	0.9
150.90657	1.0
152.99614	0.8
157.05116	0.4
161.04556	6.8
161.08188	0.8
162.98318	0.8
166.39198	0.4
167.03444	0.8
169.05061	0.9
171.03027	0.4
179.05574	6.5
185.04605	0.4
198.97159	0.4
199.06070	0.7
203.05914	2.1
217.07117	0.6
221.06622	2.2
232.20723	0.4
235.08211	11.5
235.10553	0.6
253.09254	3.0
261.22272	0.5
263.07651	1.2
277.09424	1.1
277.21674	0.5
279.23279	100.0
280.23611	4.9
287.07773	3.5
303.23718	0.5
305.08783	4.5
323.09875	1.9
325.11819	0.6
343.12952	1.9
361.11603	0.6
379.12418	1.0
397.13477	89.0
398.13562	3.3
415.14542	32.7
416.14914	1.4
595.28894	1.1
602.19647	0.5
603.19934	1.6
604.19128	1.3
605.19763	0.9
677.37665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68662	0.5
54.53953	0.6
54.91118	0.5
55.01859	0.9
57.03424	0.9
58.00582	0.7
59.01379	44.7
69.03432	2.4
70.98974	0.6
71.01379	31.2
72.99283	1.1
73.02959	5.3
81.03459	1.4
83.01380	3.8
85.02949	6.2
87.00864	8.2
89.02441	27.3
91.04014	0.8
95.01378	2.5
96.36533	0.6
97.02392	0.8
97.02951	5.6
99.00864	1.8
100.76495	0.5
101.02442	28.8
103.00370	0.6
111.04544	0.7
113.01709	0.7
113.02454	12.9
115.04018	0.9
119.03501	8.8
121.02953	0.6
123.00856	0.7
123.04495	0.7
125.01619	1.0
125.02448	11.5
131.03467	1.5
137.02431	0.7
143.03476	5.1
157.05064	0.6
161.04559	5.9
167.03462	0.9
169.05016	0.6
179.05611	6.0
184.20699	0.5
185.04594	0.8
207.88905	0.6
217.07208	1.1
221.06644	2.2
231.38503	0.6
235.08208	13.0
245.06761	0.9
253.09193	2.8
261.22281	0.6
263.07709	1.3
277.09271	0.7
279.23282	100.0
280.23679	4.3
287.07831	3.4
293.17780	0.7
305.08899	2.7
323.09811	1.4
335.54544	0.6
379.12140	0.7
397.13489	83.9
398.13879	3.1
415.14539	30.9
416.14792	1.0
684.07361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
58.02972	0.2
59.01379	3.0
69.45769	0.6
69.46164	0.4
71.01373	1.3
73.02934	0.7
73.27930	0.2
78.74096	0.2
79.80105	0.2
80.05048	0.2
81.03454	7.4
82.06602	0.4
82.95406	0.6
83.01376	0.6
83.05022	18.6
85.02970	0.3
87.00877	0.2
89.02444	0.5
90.04569	0.2
96.96001	0.5
98.22629	0.3
100.04054	0.6
100.07704	0.3
101.02423	1.0
105.03463	0.3
106.51426	0.2
107.06125	0.3
108.04530	0.6
111.04441	0.2
113.02436	0.8
115.05082	0.4
123.00882	0.3
124.01653	0.6
125.02443	8.8
125.07186	1.3
126.02747	0.2
126.05609	0.6
127.03915	0.2
127.04984	0.2
128.97401	0.2
134.03770	0.3
136.02599	0.2
137.02423	0.6
137.09456	0.2
143.03427	0.2
143.08231	0.6
144.02997	0.2
150.03206	0.4
159.26012	0.2
161.01073	0.2
161.02429	4.5
161.04541	0.4
165.01884	0.3
165.05560	0.8
169.01465	0.3
192.00633	0.7
193.01064	0.4
193.05022	0.3
194.01044	0.2
199.36302	0.2
207.02887	0.3
207.14987	1.7
209.03494	0.2
224.17696	2.7
225.07651	0.3
225.16071	13.3
226.16371	0.4
235.10756	0.6
242.18703	0.8
245.09309	0.5
249.14917	0.6
250.15572	0.3
252.10017	0.8
267.12256	0.8
267.16003	0.3
269.04581	0.3
287.05606	0.9
289.08319	0.3
290.22427	0.4
291.20657	0.2
307.09412	0.7
309.21762	0.6
324.26691	0.5
333.22888	0.9
341.29199	1.1
351.23953	0.3
367.27371	1.2
407.33820	0.5
411.19977	0.3
429.21848	1.1
433.31741	1.5
450.34305	1.8
451.32880	7.4
452.33047	0.5
471.22586	1.1
550.43182	1.1
559.39764	0.4
565.43750	0.3
567.45709	0.3
593.43585	0.7
615.09839	0.4
633.27612	0.7
659.48340	1.4
677.49628	100.0
678.49976	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	679.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61447	1.5
57.82099	1.3
59.01384	9.5
71.01392	2.1
85.02937	3.7
89.02438	2.0
95.05013	3.0
98.12647	1.2
98.22697	2.1
99.00903	4.2
101.02425	2.9
107.05010	2.3
108.02189	1.4
109.02948	2.3
111.00865	2.8
113.02416	1.8
116.37239	1.4
119.05032	1.9
121.06605	1.8
123.00879	2.8
123.04501	1.7
124.01633	5.7
124.98810	6.7
125.02450	10.3
129.01985	1.4
136.01656	3.8
137.02377	2.3
137.99623	1.5
139.00371	14.9
141.01828	1.6
147.04413	1.5
149.06078	2.6
151.00366	3.4
151.04018	1.9
152.01160	3.4
152.98203	2.4
153.01956	4.1
153.05580	2.4
155.70071	1.5
161.06104	1.4
163.03999	3.4
165.01941	2.5
165.05566	50.5
166.02715	1.7
166.99837	2.0
167.03471	4.0
168.00652	2.3
169.01411	16.8
173.02292	1.7
175.03992	2.9
177.01950	3.0
177.05536	3.4
179.03552	3.0
179.07162	2.0
181.01427	5.9
181.05032	7.5
190.70276	1.4
191.03510	10.2
192.04283	21.0
193.05049	100.0
194.05669	3.1
195.06657	1.7
197.04488	2.3
205.05060	1.8
207.03006	2.4
207.06657	16.1
208.03815	9.7
209.04553	23.4
210.05276	8.9
211.06000	3.5
217.05089	1.9
223.05989	3.7
225.04025	22.3
226.04732	5.2
227.05571	6.4
234.05318	1.7
237.04036	17.5
239.05518	10.7
241.07118	5.1
249.07625	2.0
251.05586	20.2
253.03540	14.2
253.07201	2.3
254.04253	19.4
255.05098	11.3
267.05103	7.5
268.05902	4.8
269.06647	94.8
279.05148	2.9
279.08890	1.7
283.08322	3.1
293.06683	2.9
311.07642	5.2
319.04492	2.5
399.09235	15.2
411.12860	2.6
423.07214	2.1
431.11868	32.5
441.10342	25.8
443.12057	2.3
458.10559	2.0
473.12967	59.7
474.13968	1.8
635.17206	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	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77752	0.2
54.80206	0.2
55.01874	1.2
57.03440	1.1
58.00604	0.8
59.01377	46.8
60.01715	0.3
61.02932	0.2
62.00788	0.2
68.99806	0.4
69.03452	1.9
71.01380	32.4
72.99310	1.2
73.02943	6.1
75.00855	0.7
81.03455	1.5
83.01382	4.3
84.02209	0.2
85.02945	7.7
86.00108	0.3
87.00871	7.6
87.04501	0.3
88.23805	0.2
89.02441	27.4
90.77766	0.2
91.04019	0.6
93.03433	0.4
95.01388	2.0
95.04982	0.4
97.02946	5.6
99.00887	1.9
99.04513	0.5
101.02441	26.5
103.03977	0.3
109.02979	0.8
111.00866	0.5
111.04517	0.8
113.02441	12.4
115.04006	0.8
119.03496	8.7
121.02956	0.6
124.01646	0.5
125.02441	12.2
127.04033	0.3
131.03491	2.0
133.05072	0.7
137.02405	0.4
137.07021	0.2
139.03993	1.0
141.01967	0.6
143.03505	5.1
149.02417	0.3
149.04550	1.1
152.38387	0.2
157.05119	0.3
161.03189	0.3
161.04553	5.9
167.03508	0.7
169.04973	0.3
179.05598	6.0
185.04538	0.5
197.85390	0.3
199.06155	0.5
203.05591	0.3
217.07172	0.7
221.06653	1.9
235.08208	12.4
245.06569	0.6
253.09248	2.9
263.07706	1.0
277.09241	0.6
279.16016	0.3
281.24838	100.0
282.25226	3.5
287.07730	3.5
295.26361	0.7
305.08762	3.8
311.67917	0.3
323.09634	1.4
361.11456	0.6
379.12354	0.9
397.13464	94.2
398.13828	2.7
405.07535	0.2
415.14526	33.2
416.14911	0.6
449.27127	0.3
475.04868	0.3
679.39252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51667	0.4
59.01369	0.5
61.98780	0.5
69.82776	0.9
69.83168	1.1
85.30356	0.6
88.78458	0.4
95.01376	0.7
96.02164	2.9
110.03773	0.6
111.00898	0.6
123.00848	2.5
123.04519	8.5
124.01664	6.7
137.02451	2.0
151.04010	4.4
152.01151	7.1
152.04727	0.5
165.01875	0.7
165.05417	0.5
166.02682	2.1
172.07086	0.4
184.00096	1.0
188.87886	0.5
193.12419	0.6
195.17564	0.5
196.69502	0.5
219.70377	0.5
221.11786	0.7
265.18060	5.7
275.16620	0.7
289.21753	1.5
293.17566	100.0
294.17905	4.4
303.19638	1.3
303.22977	0.5
317.21146	1.6
318.21918	3.2
333.24304	9.2
363.25424	18.5
364.25778	1.3
385.06915	0.9
679.41760	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	680.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36172	16.2
52.50434	15.3
59.01374	65.6
61.98830	68.3
67.95419	18.6
71.43904	17.9
76.97940	14.5
78.75211	15.6
82.95963	17.6
84.39376	17.2
96.13060	17.9
100.39267	15.8
187.00772	17.6
211.13374	100.0
212.13802	31.1
623.33917	20.1
624.33722	43.5
679.32666	34.4
680.32965	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	680.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
63.96734	0.5
71.01383	6.9
73.02947	3.1
85.02941	1.9
85.27383	0.5
89.02453	1.9
101.02440	6.5
103.76561	0.5
113.02444	2.0
116.05091	1.2
119.03477	1.2
125.02411	1.3
128.05075	0.8
130.06624	5.4
131.03755	1.3
131.04965	0.5
142.06618	5.0
144.04546	8.2
144.08189	9.9
145.05386	3.5
146.06117	44.6
147.06386	0.7
156.08173	1.9
158.06099	3.1
159.02922	0.9
160.07669	12.9
161.04555	2.4
170.06113	5.4
172.07751	0.8
174.09218	2.3
184.07686	0.7
186.05569	5.9
188.07173	17.8
190.05014	3.0
192.00645	2.0
193.01015	1.0
200.07217	0.9
206.08185	2.0
218.08229	3.5
232.06219	2.5
242.08221	0.7
252.41951	0.6
254.08260	1.0
308.11465	3.5
327.06946	0.9
330.07672	0.5
337.25882	0.5
350.05853	0.5
351.06058	0.7
352.10349	100.0
353.10544	3.1
382.19373	0.6
518.20697	0.6
680.11774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68288	0.8
57.03469	0.9
59.01377	16.5
61.98833	8.6
65.03962	1.8
71.01373	7.2
73.02946	1.6
85.02953	1.7
87.00897	2.1
89.02453	2.8
91.05564	1.5
101.02462	5.3
106.63085	1.0
113.02426	2.6
115.05516	1.3
119.03467	0.8
125.02443	1.1
125.09740	7.3
134.48465	1.0
135.08170	1.0
185.11850	2.1
185.13367	1.0
187.14938	3.0
191.10815	1.0
201.12866	0.9
209.11841	8.1
210.12111	0.9
211.13437	1.0
213.12810	4.3
231.13850	8.9
233.11847	2.0
235.08301	2.0
249.15034	1.5
268.93765	1.1
339.23145	2.5
357.24374	1.4
365.21271	1.7
373.23657	1.7
383.22205	10.7
401.23254	9.4
416.58679	0.9
419.24350	2.2
619.31219	100.0
620.31396	11.4
637.32227	13.2
638.32941	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51291	0.7
59.01357	2.3
61.98815	2.6
65.19669	0.6
67.05624	0.7
71.45663	0.8
79.45599	0.6
96.95988	1.7
108.02150	0.9
123.04494	0.9
125.02430	1.8
136.01672	1.2
137.02426	0.8
149.02364	0.9
150.03212	1.0
150.46506	0.7
161.02451	1.4
162.03262	1.2
164.01166	6.7
165.01936	0.8
166.02705	1.4
174.03230	1.9
175.04036	0.8
177.55295	0.7
178.99825	2.7
181.71671	0.7
190.02730	2.1
192.00638	100.0
193.01381	9.0
194.02203	2.5
202.02612	0.9
205.01440	1.9
206.02194	2.2
207.02971	58.2
208.03299	1.3
215.03484	1.0
221.00934	0.7
222.01698	1.5
224.24811	0.8
234.01633	8.6
235.02426	0.9
237.03943	1.5
249.04013	7.0
265.05057	1.0
291.05017	1.0
293.04572	1.0
308.06775	2.4
309.06235	2.7
312.04819	1.4
323.09317	5.5
327.07410	1.0
335.09308	0.9
353.10089	3.1
395.11450	1.1
431.28275	0.8
443.13324	2.7
473.14804	1.0
501.19171	1.1
575.80359	0.8
651.17267	12.3
663.17194	10.1
681.18469	3.4
681.30450	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	681.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.8
69.10902	7.1
71.01384	2.3
73.90182	1.3
85.02954	2.2
85.92796	1.1
96.95982	1.0
98.22697	1.9
99.00864	3.2
101.02444	1.4
107.05025	4.7
109.89486	1.0
123.18454	1.0
124.98801	2.4
125.02444	3.2
129.15382	1.1
133.06633	2.0
139.00377	15.2
149.06091	3.7
151.03975	1.3
152.01135	1.7
153.01912	30.6
154.06325	1.7
159.04527	3.0
164.04799	1.4
165.05559	5.0
166.99883	2.2
167.03528	1.8
167.07045	1.5
169.01434	5.8
175.03984	2.2
177.05566	31.3
179.03481	2.0
179.07072	2.2
181.01422	2.4
181.05058	1.6
192.04292	6.8
193.05006	12.5
194.05826	50.7
195.06444	4.0
207.06590	4.1
209.04567	1.9
209.08195	12.4
210.05319	11.5
211.06102	1.8
226.04861	4.0
227.05624	7.1
237.04070	2.7
238.04852	4.3
239.05568	22.8
240.06046	1.8
253.07155	100.0
254.04292	30.5
254.07358	3.2
255.05093	20.4
256.05756	2.5
269.06641	85.0
270.07269	7.7
283.08246	1.5
295.08026	1.5
313.09293	2.2
415.12381	2.0
417.10571	1.6
418.11017	2.0
432.12711	14.5
433.13223	6.2
437.85135	1.3
459.11255	1.6
460.12213	1.3
474.13638	20.6
475.14447	8.7
637.19788	77.3
638.19971	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	681.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46132	1.3
59.01380	7.5
72.99323	2.7
73.02937	1.8
85.02938	2.5
87.20045	1.3
95.05037	2.2
96.96001	1.9
97.02985	1.8
97.06597	2.0
99.00876	17.1
101.02445	2.0
105.07027	2.6
107.04998	2.4
111.00917	1.6
113.02448	1.9
119.05025	3.0
121.06583	2.6
123.00871	5.3
125.02439	6.3
125.06003	1.5
125.66022	1.4
126.03196	1.3
129.01845	1.4
133.06581	3.4
137.02409	6.2
139.00394	4.4
139.03995	1.8
139.07622	3.0
144.04523	1.6
147.04538	1.7
149.06110	9.0
151.04120	1.6
151.07631	4.1
152.01192	1.6
153.01942	12.4
153.05609	2.0
154.02708	3.1
154.99837	3.2
155.07135	2.9
159.04480	1.9
165.05548	14.3
166.02692	1.6
167.03471	3.3
167.07108	6.6
169.01341	8.0
175.03923	1.9
177.01729	1.3
177.05560	39.2
178.05965	2.1
181.05055	2.9
192.04369	2.2
193.05022	27.1
194.05826	22.3
195.06630	10.2
199.06073	2.5
209.04524	2.7
209.08191	5.0
210.05269	5.8
211.06059	13.9
213.17561	1.6
221.04533	5.9
222.56384	1.5
223.06169	1.4
225.07663	3.8
227.05614	17.3
227.09151	2.9
237.04004	3.0
238.04808	10.5
239.05605	88.8
240.06157	6.2
253.07181	50.7
254.04337	5.1
254.07111	1.5
255.05089	64.6
256.05835	14.0
269.06558	9.2
270.07269	3.3
271.08255	7.7
293.12213	2.3
295.07407	1.4
335.12564	2.1
338.95779	1.3
342.22952	1.4
355.07953	2.8
385.09143	2.9
401.10806	3.8
415.12982	1.5
432.12592	3.4
433.13504	100.0
434.13718	4.7
457.13150	4.6
460.12213	5.9
475.14539	94.1
476.14938	5.9
482.21017	1.4
595.17596	1.9
637.19684	35.5
638.20233	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	681.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01387	8.9
63.92451	1.5
71.01376	4.9
72.99290	2.4
73.02938	1.5
74.79677	1.3
82.05695	1.3
82.13648	1.5
85.02934	3.9
89.02414	1.9
95.05006	2.3
96.96017	2.8
97.02964	1.6
97.06576	3.5
99.00884	20.0
101.02475	2.1
107.05013	3.4
109.06599	2.5
111.00896	1.6
119.05019	4.5
121.06585	2.9
123.00889	4.4
123.08150	2.4
124.01656	2.6
125.02433	8.6
131.05003	1.5
133.06583	4.6
137.02411	7.6
137.06091	2.5
139.00366	4.5
139.03896	1.6
139.07617	1.7
141.01942	2.3
149.02316	1.9
149.06084	9.6
151.07672	3.9
153.01930	14.9
154.02673	2.5
154.99895	3.0
155.07060	2.9
159.04523	3.0
160.95743	1.5
165.05550	16.2
167.03493	3.3
167.07121	6.1
168.00729	1.7
169.01463	6.9
175.04002	2.9
176.04825	1.8
177.05562	50.4
178.05920	2.1
181.05011	3.3
189.16576	1.7
192.04367	2.5
193.03302	2.4
193.05042	30.2
194.05811	20.5
195.06590	10.8
199.06036	2.5
209.04521	3.6
209.08211	5.1
210.05312	4.3
211.06145	11.8
221.04565	5.7
225.07666	4.6
227.05576	19.9
227.09203	3.0
237.04041	2.4
238.04825	7.8
239.05602	87.2
240.06082	5.0
253.07150	49.6
254.04315	4.0
254.07439	1.8
255.05089	71.8
256.05820	14.4
269.06638	13.7
270.07373	5.4
271.08200	10.0
293.12286	2.8
313.07175	1.6
335.12366	3.0
355.08084	6.0
385.09232	7.7
401.10776	4.7
432.12540	2.9
433.13483	100.0
434.13763	5.8
457.13440	4.4
460.12146	5.0
474.12915	1.6
475.14529	86.3
476.14859	4.0
595.17535	3.3
637.19580	37.6
638.19818	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	681.398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71017	43.6
70.50977	100.0
82.22780	43.2
85.93654	40.8
101.83060	43.8
204.32555	43.6
234.86574	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
61.98828	100.0
64.80820	0.4
71.44793	0.6
82.25036	0.5
96.96035	0.7
117.14257	0.4
118.79147	0.4
125.02477	0.7
202.94795	0.4
209.11919	0.5
211.13443	0.8
249.18619	1.0
277.18103	3.6
293.17535	8.3
294.18481	0.5
456.23996	1.7
457.24445	1.1
457.94046	0.4
619.29620	6.2
621.02588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	13.4
59.68083	1.9
61.98826	31.1
65.03926	2.6
69.65949	8.2
71.01379	11.6
72.81399	2.2
73.02966	3.3
77.31017	2.7
83.05036	5.8
87.00884	6.0
89.02445	5.5
95.05036	2.3
101.02446	8.0
113.02467	5.7
125.02433	3.1
125.09712	8.2
145.05025	2.5
171.10263	56.3
172.10641	3.2
185.11926	2.8
205.15939	4.3
209.11794	12.6
211.13354	7.9
215.14404	7.8
231.13861	4.0
233.15482	21.5
235.08173	6.1
249.14915	30.1
253.09190	2.7
331.26556	4.4
341.24942	5.1
375.25388	3.1
385.23920	17.7
386.24500	3.1
403.24918	39.0
407.19177	4.6
421.26117	5.3
485.23880	3.8
611.34369	4.0
621.32800	96.6
622.33148	9.3
624.37048	2.2
639.33801	100.0
640.34082	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	683.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03452	0.9
59.01362	3.5
69.41902	4.2
71.01370	3.1
71.43592	0.8
73.02931	1.9
85.02941	3.0
89.02396	1.0
96.68620	1.1
97.02931	0.9
98.21820	1.4
99.00927	0.9
101.02430	1.6
106.19411	1.0
108.02173	69.2
109.02962	23.8
113.02450	2.1
115.74109	1.0
121.02135	1.5
121.02957	23.7
125.02431	3.4
129.97011	0.8
134.70132	0.9
135.04562	1.0
143.60570	0.8
151.04018	1.7
152.01149	100.0
153.01974	4.2
163.04010	3.3
169.01407	2.4
177.01880	1.9
179.03403	1.3
189.05954	1.1
192.00694	1.5
221.13670	1.1
241.07112	1.7
277.99710	1.0
280.51193	0.9
399.09418	1.8
496.99866	1.0
521.13123	1.1
561.14673	13.6
639.24988	2.3
639.35736	1.6
683.18243	90.9
684.18494	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	683.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81749	1.0
52.32810	1.0
59.01375	3.0
67.07800	1.0
68.99825	1.2
69.03449	1.1
69.33743	4.6
71.01389	3.1
73.20783	1.1
80.53702	1.0
81.03425	6.7
83.01401	4.7
85.02945	1.6
92.72779	1.0
93.03454	4.1
95.01360	2.6
95.05006	4.2
97.02962	5.3
99.04497	1.7
107.05058	1.6
108.02146	2.0
109.02954	4.3
111.04536	1.4
119.05025	9.0
121.02970	4.0
121.06586	1.7
123.00900	1.2
123.04531	12.6
125.02448	11.1
135.04529	3.1
137.02449	4.3
137.06068	7.2
138.03288	1.0
139.04018	7.6
141.05612	1.2
147.04530	3.4
149.02448	1.4
149.05998	1.5
151.04007	3.6
152.01201	1.4
163.04012	4.6
165.01927	2.9
165.05550	6.6
167.03494	26.3
169.01408	2.0
173.05846	1.0
177.01836	1.4
177.05627	2.1
179.03514	6.5
179.07166	1.1
181.05103	2.3
189.05579	4.4
191.03561	1.8
193.05070	4.1
197.04585	4.3
207.06616	1.9
209.04541	25.7
219.03093	1.6
221.04483	3.1
239.05620	7.7
239.09210	1.1
251.05553	3.9
257.10229	1.1
273.07578	3.0
285.07813	1.1
315.08707	16.5
327.08807	4.9
345.09714	5.0
357.09775	100.0
358.10046	7.4
369.09586	2.8
387.10846	74.5
388.11176	5.3
399.10782	2.7
417.11917	22.3
429.12158	2.2
441.12067	2.8
459.12885	5.0
471.12833	2.0
477.07263	1.2
477.14014	24.8
478.14285	2.5
489.13974	3.2
501.14014	2.4
507.14984	2.9
519.15112	7.3
531.15289	1.9
549.16058	1.7
549.77515	1.0
563.14209	1.2
597.18390	3.3
639.19257	4.2
683.18323	2.5
683.29364	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	683.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
61.98799	0.4
71.01385	0.7
77.87541	0.3
79.96976	0.3
93.03468	0.4
94.84583	0.3
96.96012	1.0
108.02166	0.5
121.02945	0.6
121.73048	0.3
123.00876	0.3
123.04511	0.6
124.01646	0.6
125.02479	2.0
126.75046	0.3
133.02914	0.4
136.01663	1.6
137.02557	0.3
138.03218	0.6
147.61641	0.3
148.01678	0.5
149.02394	0.5
151.03882	0.4
161.02480	1.6
162.03214	1.8
164.01152	8.1
165.01927	0.5
165.45238	0.3
166.02704	0.5
169.01407	1.0
173.48369	0.3
177.01892	1.3
178.02692	0.6
178.99866	3.1
179.03494	0.4
189.01968	0.5
190.02734	2.7
191.03490	0.5
192.00639	100.0
193.01367	9.2
194.02197	2.8
205.01393	2.3
206.02190	2.8
207.02979	63.0
208.03355	1.5
209.04567	0.5
217.01346	0.4
221.00931	0.9
222.01671	1.7
232.03709	0.9
234.01691	10.3
235.02219	0.6
237.04033	1.3
245.01054	0.5
246.01668	0.7
249.04021	10.5
250.04276	0.4
276.02789	0.5
283.09900	0.7
291.05127	0.6
294.03644	1.0
309.06161	8.0
312.04752	1.3
325.10806	0.6
327.07181	5.2
343.11856	1.0
355.11880	0.7
385.12598	0.6
472.79565	0.4
653.18713	13.2
654.19165	1.5
665.18915	1.9
666.19965	0.4
683.19391	1.3
683.29095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08101	0.3
51.20351	0.4
52.74007	0.3
54.22039	0.4
57.03443	0.7
58.00567	0.4
59.01379	45.6
61.51048	0.3
64.78917	0.5
69.34550	0.7
69.34961	1.2
70.46002	0.4
70.53635	0.3
71.01381	27.0
72.99284	0.4
73.02931	1.0
73.69350	0.4
83.01406	0.6
84.65232	0.3
85.02946	3.4
87.00877	1.3
89.02444	34.3
92.76942	0.3
94.50043	0.4
95.01383	2.1
98.22643	0.8
101.02445	12.8
113.02443	11.0
114.02855	0.4
119.03500	11.6
119.04314	0.7
125.02448	2.5
131.03513	1.9
133.01416	0.6
133.46912	0.3
137.02466	0.4
143.03508	2.3
149.04546	1.0
161.04565	3.1
165.01942	0.8
167.03491	0.5
169.01396	1.5
177.01926	0.8
179.03522	1.2
179.05615	14.6
243.03183	0.5
305.06744	0.9
341.10873	100.0
342.11160	2.7
448.41534	0.4
492.27319	0.4
497.70779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10879	0.5
55.46600	0.5
57.03448	0.7
58.02714	0.5
58.02975	5.8
59.01378	5.8
70.02972	4.9
71.01365	1.3
72.00902	1.6
72.04545	1.4
72.57585	0.6
73.02937	0.9
74.02471	33.6
83.01402	0.5
85.02927	0.7
96.95997	0.7
98.02479	8.3
101.02397	0.6
104.88699	0.7
111.00912	0.7
113.02464	0.9
114.02721	0.5
116.03553	8.2
116.05057	11.1
118.13367	0.5
125.02439	4.4
130.06689	1.1
142.06604	3.4
159.09268	2.4
165.01878	0.7
167.03471	1.8
169.01440	4.4
170.16551	0.4
171.12032	0.5
177.01891	1.0
181.50021	0.5
183.09235	0.7
186.05602	0.6
193.01324	0.8
195.47586	0.5
201.10347	3.4
203.08252	34.3
204.08649	0.8
212.18503	0.5
245.09296	100.0
246.09644	3.1
249.13512	0.6
288.31659	0.6
289.08334	1.1
319.04565	0.8
328.92657	0.6
369.18878	0.6
379.62006	0.5
411.73010	0.6
524.71326	0.5
551.67627	0.6
639.24750	0.9
683.28479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67970	0.9
57.03429	4.4
59.01162	0.8
59.01376	8.5
61.98833	1.9
69.62959	1.1
69.66175	3.8
71.01379	4.4
73.73051	0.8
78.95900	1.9
83.17323	1.0
85.59351	1.0
89.02427	3.6
95.79684	1.0
97.06587	14.7
98.21909	1.4
101.02430	3.2
107.48077	0.9
113.02461	1.9
115.85970	1.1
123.08156	5.7
125.09721	100.0
130.10768	1.0
143.10718	1.3
152.99561	2.1
161.04543	1.2
169.08592	1.5
187.09744	65.9
188.09990	1.2
241.17690	1.1
253.09216	1.7
277.21719	12.6
279.22873	1.0
403.99667	1.0
405.17456	4.0
423.18698	12.8
683.40057	92.3
684.23322	1.7
684.40576	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	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79097	1.5
53.95034	1.3
55.97944	1.3
57.03429	5.6
59.01360	3.9
61.98811	2.5
69.15688	2.1
69.16092	6.6
71.01368	3.0
74.80589	1.2
78.95873	1.5
87.00863	2.2
97.06592	18.4
98.22643	1.9
101.02421	2.9
108.43666	1.3
113.02428	2.1
123.08163	6.8
125.09717	81.1
126.10027	1.5
145.05049	2.2
152.99525	1.3
161.04527	2.4
165.86642	1.3
176.27538	1.4
187.08034	1.9
187.09747	32.5
226.60405	1.6
235.08160	1.9
253.09253	3.5
277.21695	45.8
395.59695	1.5
405.17496	4.2
412.41653	1.4
423.18454	3.8
438.09802	1.8
442.03903	1.4
683.40033	100.0
684.40448	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	684.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80072	0.5
79.18006	0.5
86.02153	0.6
93.95255	0.5
158.90730	0.6
253.02835	0.6
270.10403	0.6
352.07358	0.5
359.04123	0.6
438.13190	4.3
452.15024	1.5
456.15060	0.7
459.27310	0.6
480.14163	1.2
480.73645	0.7
481.15173	34.2
482.15515	2.8
495.16635	9.0
496.17102	0.8
509.17908	0.6
525.14105	1.6
539.15582	1.8
540.16498	18.0
541.16681	1.7
554.17804	3.1
555.18835	62.9
556.19275	3.1
572.15515	8.9
586.17157	2.6
609.19836	0.8
641.22455	31.4
642.22217	1.4
684.23077	100.0
685.23438	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	684.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.3
61.98824	1.4
64.65405	0.5
67.60352	0.6
68.60966	0.6
71.01378	1.7
80.16463	0.5
82.95367	0.6
89.02426	1.1
95.90144	0.6
101.02446	1.1
108.03857	0.5
113.02427	0.7
126.46948	0.5
137.29526	0.6
167.14384	0.7
183.13898	4.9
193.12291	1.6
211.13385	100.0
212.13731	1.9
213.39862	0.6
223.13333	0.8
225.45253	0.6
235.08194	2.0
240.97061	0.6
253.09230	3.3
275.19110	0.6
387.25381	1.5
429.21292	2.4
447.22278	12.3
623.34442	7.5
641.35229	3.9
652.62109	0.7
699.59961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.88360	0.6
61.98818	1.3
71.01373	1.0
80.81445	0.5
89.02427	0.8
101.02422	1.0
145.39265	0.6
148.84766	0.6
183.13924	4.9
193.12312	1.3
211.13388	100.0
212.13753	2.0
225.68797	0.6
235.08202	1.3
253.09279	3.8
348.12201	0.6
429.21231	2.0
443.01733	0.5
447.22324	10.5
447.38306	0.6
569.54486	0.5
623.34113	2.1
641.35382	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	684.36
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.8
59.78262	0.9
61.23505	0.8
61.98827	12.6
70.65838	1.5
71.01384	2.1
101.02451	2.0
131.50200	0.9
183.13866	6.4
187.65070	0.9
193.12392	1.6
211.13393	100.0
212.13818	1.5
235.08148	1.6
253.09297	3.5
308.28772	0.9
310.07556	1.0
355.40466	1.0
387.25253	1.8
425.00851	0.9
429.21469	1.4
447.22397	11.0
452.18277	1.1
623.34412	6.9
641.35193	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	685.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01376	11.5
71.01375	2.7
71.07141	1.1
73.02924	0.7
74.83488	0.5
81.03471	0.7
82.75296	0.7
83.01394	0.7
95.01378	0.9
97.03039	0.7
101.02472	1.0
102.21328	0.6
109.02959	0.9
113.02409	0.7
121.02965	2.7
123.00893	8.5
124.01659	90.6
125.02466	14.9
126.02776	2.5
133.02960	1.1
137.02454	1.6
138.03200	3.2
139.04010	100.0
140.04347	1.8
149.02428	1.8
151.03955	1.2
167.03491	3.4
169.00101	1.2
169.01428	11.5
170.01784	1.8
175.03984	1.5
175.63846	0.6
177.01920	11.0
178.02296	0.9
179.03557	0.8
181.05058	2.5
193.95898	0.6
203.05586	5.0
213.29832	0.8
223.06125	2.2
225.07733	1.4
243.02910	1.1
283.08252	4.4
285.04260	1.2
285.78860	0.6
297.00839	1.4
297.06195	3.8
305.06589	0.8
319.04529	1.8
343.10352	10.8
387.13046	1.1
506.45636	0.7
649.10553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31876	1.5
57.03451	1.6
59.01362	5.3
60.01683	1.7
61.98804	5.6
69.27108	1.6
71.01345	2.2
101.02351	1.5
108.02159	1.7
114.90911	1.6
117.03494	8.6
119.05040	10.3
125.02402	3.9
135.04420	1.7
145.02948	43.7
149.06052	3.3
152.05005	1.7
162.43556	1.7
167.03474	2.2
191.07152	2.5
211.07761	1.7
223.07602	2.6
227.68790	1.6
239.07121	4.4
249.05511	4.0
251.07068	5.1
267.06644	27.5
268.07263	5.3
279.06586	6.8
280.07324	3.7
282.08972	24.3
283.09583	9.6
294.08926	3.8
295.09311	1.6
297.11307	16.8
324.08743	2.2
327.12335	2.3
338.10046	2.1
350.10248	4.3
358.17731	15.7
364.12122	2.2
492.21490	2.8
495.23386	2.0
506.22946	4.4
507.23380	4.8
509.95230	1.8
510.03735	1.8
510.25812	4.1
522.26123	8.1
550.25586	3.7
638.25006	1.8
641.27515	1.9
653.27350	2.2
656.29706	67.7
656.40887	3.3
657.30157	4.7
668.29773	100.0
669.30054	8.7
686.30231	13.5
687.31097	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	686.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63425	0.2
58.22837	0.1
61.98828	100.0
65.76865	0.2
89.26500	0.2
100.31387	0.2
106.50465	0.1
109.42343	0.1
111.35365	0.1
113.82483	0.2
209.11914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.13215	0.3
61.98827	100.0
69.57533	0.5
69.57916	0.8
103.94611	0.3
137.31854	0.3
155.17224	0.3
159.16792	0.3
187.25928	0.4
209.11821	0.4
218.36823	0.4
364.89905	0.3
403.71542	0.4
457.09485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	0.6
71.06441	0.8
71.07957	0.7
84.39439	0.5
86.05204	0.5
95.01391	1.5
102.51814	0.6
104.51994	0.7
123.00888	14.2
124.01679	0.7
125.02438	3.0
135.04515	0.7
136.01631	0.9
137.02412	1.0
138.03229	21.5
152.01123	0.7
153.05571	7.7
161.02463	2.4
162.03185	2.1
164.01132	3.0
166.02695	3.0
166.99829	4.7
167.03557	1.1
169.01515	0.7
177.01947	1.9
178.02708	1.4
178.99899	1.5
179.67807	0.7
182.02209	22.7
183.02811	0.7
190.01025	0.9
190.02669	5.1
192.00635	65.1
192.72398	0.6
193.01395	13.8
194.02185	9.5
194.99417	1.1
197.04546	57.6
198.04829	1.1
205.01492	2.7
206.02213	3.4
207.02974	39.2
208.03444	0.9
209.04555	0.8
221.00946	2.0
222.01642	4.6
234.01686	19.3
237.04083	3.1
249.04012	9.5
312.04822	14.1
327.07199	100.0
328.07550	3.4
359.09772	14.5
359.16531	0.8
388.68985	0.7
490.79623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20572	1.1
59.01377	15.3
69.67754	1.0
69.71200	1.9
69.71591	2.0
71.01386	9.0
74.02897	1.1
89.02433	4.5
95.01420	2.0
101.02445	3.3
106.18959	0.9
108.02211	1.5
109.85554	1.1
111.92754	0.8
113.02453	3.1
119.03528	1.4
121.02943	2.5
123.00872	7.9
123.04534	1.1
124.01669	1.8
125.02448	8.0
137.02425	4.1
138.03255	7.9
150.03258	2.2
152.01167	5.3
153.05553	8.0
161.02435	4.3
162.03210	2.4
164.01106	5.8
165.01923	2.9
166.02742	7.2
166.99849	6.6
167.03477	5.3
177.01965	3.0
178.02699	3.0
178.99858	1.8
180.00700	1.2
181.01404	1.5
182.02190	15.9
190.02660	8.0
192.00639	84.0
193.01393	25.5
194.02196	20.0
195.02594	1.1
195.06641	1.2
197.04546	39.3
198.04767	1.4
205.01370	5.1
205.05223	1.2
206.02153	5.1
207.02972	39.5
207.23782	1.0
208.03282	1.2
209.04543	1.5
211.06099	1.7
221.00874	4.0
222.01627	6.5
224.03319	1.2
234.01663	28.8
234.03964	1.8
235.02115	0.9
237.04019	4.8
239.05583	6.0
249.04062	14.3
250.04491	0.9
252.50377	1.0
303.04974	1.6
312.04825	20.1
327.07205	100.0
328.07510	4.2
359.09775	47.3
359.14325	1.7
360.10117	1.6
389.77576	1.3
549.03479	1.3
583.55066	1.1
687.06073	3.6
687.20898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.7
68.66392	0.5
69.14089	3.3
71.01372	0.5
81.03518	0.6
95.01392	0.6
95.11263	0.5
108.02159	2.3
109.03028	0.6
123.00885	7.8
123.04503	2.1
124.01623	0.6
125.02435	2.5
133.02956	0.6
133.06581	1.0
135.04500	1.0
136.01561	0.8
137.02396	0.9
138.03197	6.4
149.02467	0.6
152.01144	5.3
153.05576	3.5
161.02440	2.1
162.03200	2.0
164.01170	3.6
165.01892	0.9
166.02713	3.4
166.99823	5.4
167.03491	5.8
177.01910	1.7
177.05589	1.4
178.02650	1.2
178.05916	1.0
178.99832	1.5
181.01547	0.6
182.02214	16.4
183.02788	0.7
189.01926	0.6
190.02678	5.7
192.00636	66.5
193.01402	17.6
194.02182	12.8
195.06573	1.5
196.07019	0.8
197.04538	36.7
198.04840	0.8
205.01402	4.2
206.02202	4.6
207.02972	37.6
208.03377	0.8
221.00937	1.6
222.01698	4.5
234.01682	21.2
235.02350	0.6
237.04004	3.3
249.04010	9.1
305.06870	0.6
306.56030	0.4
312.04840	15.2
327.07199	100.0
328.07562	3.3
357.11816	1.2
358.12189	1.4
359.09393	1.2
359.13062	1.1
687.05969	1.3
687.20880	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	687.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
69.83045	1.3
71.01376	0.8
98.21945	0.6
108.02161	0.3
111.00926	0.3
115.00392	1.0
123.00893	0.7
124.01658	6.9
125.02422	1.0
133.01428	3.0
136.01631	2.4
137.02437	0.7
138.03229	12.2
139.00369	0.6
139.03972	1.2
150.03139	0.4
151.04001	0.5
152.01147	6.9
153.01959	2.3
165.05667	0.3
166.02705	11.3
166.99869	0.6
168.00607	3.8
169.01460	0.4
178.02701	1.3
180.00633	24.5
180.72797	0.4
181.05032	3.0
182.02142	0.8
183.02991	4.8
192.00613	1.2
193.01443	1.1
194.02170	0.8
194.99338	9.2
195.02977	6.5
196.03728	4.0
203.49237	0.3
205.01433	1.0
206.02150	0.8
207.03032	0.6
208.03806	0.6
209.00882	0.6
210.01732	2.3
211.06117	0.7
221.00890	0.4
222.01732	2.4
225.04034	7.7
234.01729	2.1
237.04054	2.7
240.02654	0.5
249.04019	2.9
255.05086	4.0
267.05124	0.6
312.04987	0.7
327.07239	1.0
330.05865	6.6
341.10565	0.5
345.08234	100.0
346.08560	4.0
492.21155	0.4
646.80902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37857	100.0
71.01380	42.1
73.34084	22.3
78.95869	23.0
98.22614	52.0
125.15250	21.7
163.29472	25.8
169.03671	20.5
209.11839	25.2
241.88988	22.6
451.64294	23.8
689.34998	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30001	0.8
57.03416	1.1
59.01156	0.9
59.01379	8.6
65.76862	1.0
69.35979	1.9
69.36387	2.5
71.01379	3.8
80.91682	2.0
81.03445	1.0
85.02950	0.8
89.02450	2.5
95.05013	1.0
96.96027	1.4
97.02930	1.0
101.02468	1.7
101.42387	0.9
107.04948	1.0
113.02454	2.6
113.06137	0.9
122.03749	12.3
123.04530	10.1
125.02433	5.1
135.04517	2.7
136.05261	3.4
137.02454	2.4
137.06081	2.5
138.02214	1.3
138.03235	18.5
141.01689	1.3
148.05315	4.4
150.03180	1.3
151.03984	9.0
152.04756	2.4
153.01923	0.9
162.06854	2.8
164.04747	0.9
165.05540	6.0
166.02773	1.0
167.03499	1.4
169.01389	1.8
177.01883	1.8
177.09219	1.0
179.07095	1.2
188.52203	0.8
203.10799	1.0
205.12396	1.4
207.10219	1.5
221.11864	2.6
233.11816	1.0
251.12798	1.5
257.15323	1.1
265.14288	1.8
270.16281	2.2
275.16602	1.7
275.20148	1.0
281.14001	2.1
285.18588	10.9
287.16635	1.8
291.15985	1.2
292.16882	1.9
301.18024	1.2
303.19543	9.0
305.17282	1.5
311.16486	3.9
319.19138	2.6
321.20761	1.8
325.16397	1.3
329.17566	8.6
346.17859	2.1
347.18610	54.3
348.18863	2.6
363.18088	3.8
364.18896	18.7
365.19650	74.5
366.19888	2.8
379.21045	1.8
382.75070	1.1
383.36169	1.1
389.19626	3.5
509.23831	4.0
527.24976	47.8
528.25403	3.1
607.25922	2.0
689.30237	100.0
690.30542	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	689.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.2
61.98804	10.0
70.91802	3.6
71.01358	5.3
73.93459	2.3
79.25382	2.4
89.02457	3.1
96.95985	4.0
97.49622	2.1
101.02423	5.5
113.02408	3.0
122.03722	5.1
125.02386	8.8
138.03232	15.6
140.90680	2.5
151.03931	4.9
153.01848	7.7
169.01331	2.8
209.51129	2.3
221.15257	3.1
281.17169	2.8
285.18658	3.7
285.21945	3.1
301.17911	6.8
303.23026	3.4
317.17380	6.5
329.17444	9.0
329.20944	4.6
335.18481	4.8
347.18604	74.5
347.22247	7.2
348.18759	5.6
363.13705	5.2
363.18097	100.0
364.18924	18.7
365.19107	3.8
365.23248	38.6
472.29205	2.5
526.24133	12.5
527.27911	11.1
591.25671	2.6
629.24036	3.7
689.30450	91.1
690.29944	7.2
696.92285	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	689.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09880	3.9
50.58324	3.6
52.68214	4.4
59.01366	16.8
61.98835	24.6
68.44215	3.8
69.22926	15.5
69.23332	10.1
70.21960	4.4
71.01380	53.6
71.95095	4.2
75.03775	4.7
83.05031	9.8
98.60081	3.7
100.40250	3.7
101.02422	4.0
104.65446	4.0
109.06548	8.5
113.02419	5.7
135.08096	7.4
137.48560	5.2
163.11266	10.6
171.10294	31.6
201.11279	12.9
207.10220	24.2
208.10539	5.1
209.11818	100.0
210.12146	5.7
211.13318	14.4
225.11327	31.8
227.12897	16.6
253.09119	10.4
461.20023	6.5
689.33228	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	689.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87264	4.7
59.01373	14.8
61.98813	19.8
69.74023	5.0
69.99274	16.5
71.01377	59.1
73.06963	5.2
78.95881	7.2
83.05035	9.7
85.02903	5.2
90.94033	6.2
94.36758	4.5
94.53690	5.3
98.21956	7.8
102.51701	5.2
109.06596	9.0
133.67647	5.7
163.11261	12.1
171.10318	27.7
176.05679	4.6
201.11333	13.9
207.10210	20.0
209.11842	100.0
210.12123	6.9
211.13374	6.0
223.13416	5.7
225.11301	25.6
227.12927	13.1
253.09308	12.6
356.04877	5.1
485.87357	4.9
586.13037	5.9
617.80762	4.9
653.34680	6.5
689.32214	8.5
705.11041	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	689.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29398	0.6
53.00281	0.6
58.00587	0.7
59.01376	10.1
61.98825	1.3
66.49067	0.5
67.77114	0.5
69.03436	0.8
71.01380	46.1
71.05013	0.9
71.12980	0.7
72.99310	0.8
73.02951	3.6
80.02670	1.4
81.03455	2.5
83.01383	0.8
83.05026	5.4
84.02155	1.9
85.02960	2.8
87.00862	2.2
89.02445	3.8
95.01382	0.6
95.05029	1.5
97.02944	3.0
99.00871	2.0
101.02431	4.7
109.06583	7.7
110.03748	1.3
111.08179	0.7
113.02466	2.9
119.03460	1.2
121.06611	0.8
123.08140	0.9
125.02422	1.0
125.06107	0.9
125.09719	2.5
127.11298	2.0
135.08159	1.3
136.64769	0.6
143.03540	0.8
145.05069	0.9
145.10292	0.6
149.09726	0.6
155.10799	1.4
161.04546	1.8
161.09659	1.3
163.11308	9.1
165.09175	0.6
165.12788	3.2
169.12315	0.6
171.10272	29.3
172.10652	1.0
179.05536	0.8
179.10800	0.7
181.12376	3.9
183.13863	1.1
185.11830	2.3
187.09666	0.5
188.45564	0.5
189.09216	1.9
191.10799	0.8
195.13780	0.6
197.11827	5.8
199.09840	0.9
199.13380	2.9
201.11319	14.9
202.11742	0.5
207.10257	22.9
208.10583	0.6
209.11830	100.0
210.12209	4.2
211.13370	3.9
212.13608	0.6
215.12892	1.7
225.11320	27.2
226.11749	1.5
227.12881	14.1
228.13235	0.8
235.08220	3.7
243.12395	2.6
249.11278	0.6
251.12946	1.3
253.09291	10.6
263.12866	0.9
291.19656	2.6
373.23764	0.8
397.13547	0.8
399.21753	1.7
407.24472	0.7
415.14462	0.9
417.22662	1.6
443.19000	1.5
445.20319	0.8
461.20450	5.8
463.21677	1.0
479.21368	0.9
582.15039	0.7
635.30585	1.0
653.31976	2.4
657.31403	0.9
671.32526	3.4
689.33636	11.2
690.34290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12159	0.3
66.35107	0.2
67.01922	0.3
68.99808	0.7
71.45752	0.3
79.56085	0.2
83.88566	0.3
95.01385	3.9
96.02168	0.7
98.00119	0.6
107.88184	0.3
109.02941	1.7
110.00122	1.3
111.00875	0.5
123.00880	27.2
124.01749	1.5
137.02434	9.4
138.03230	0.3
151.00343	2.0
151.04008	1.0
152.01131	0.4
165.01923	13.3
165.05554	0.6
165.09192	0.7
166.02397	0.4
179.03528	0.5
179.07118	1.1
193.08690	4.3
219.10300	0.6
219.13821	0.3
221.08192	1.7
231.62253	0.3
234.25169	0.3
247.13432	2.6
261.14896	1.2
274.38681	0.3
290.18811	1.8
305.21310	0.6
318.18347	4.8
319.18527	0.4
333.20691	100.0
334.21057	5.6
357.21802	0.3
432.79184	0.2
541.95734	0.3
689.40222	8.6
690.40338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21689	0.1
55.01891	0.2
59.01388	0.1
70.98876	0.1
70.99233	0.1
109.02957	1.1
110.03741	1.7
122.68675	0.1
125.02454	0.9
137.02454	1.3
138.03232	3.9
139.04024	0.2
142.02722	0.4
151.04042	0.4
152.04779	0.2
165.01970	0.2
166.02711	2.7
167.03496	0.2
179.03494	4.1
180.04274	1.5
190.06375	0.1
191.07147	0.2
191.60248	0.1
193.05057	2.0
194.05666	0.2
198.01740	0.5
207.06407	0.1
221.08321	0.2
230.26695	0.1
235.09743	0.6
236.10539	0.9
305.21210	4.0
306.21692	0.2
315.19714	0.2
333.20688	100.0
334.21033	5.0
452.10367	0.1
568.28253	0.1
689.40265	7.7
690.40643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52294	0.2
57.01927	0.2
69.31384	0.9
69.53309	0.2
76.71562	0.2
94.06044	0.2
109.02950	1.2
110.03732	2.8
125.02422	1.1
137.02441	1.3
137.21831	0.2
138.03227	4.6
142.02740	0.3
151.03998	0.6
165.01981	0.3
166.02705	3.2
179.03502	5.1
180.04320	1.8
190.89856	0.2
193.05043	2.1
198.01749	0.3
208.07407	0.3
221.08177	0.5
235.09799	0.7
236.10571	0.9
271.27859	0.2
275.24606	0.2
305.21204	4.4
306.21609	0.3
333.20685	100.0
334.21033	5.5
445.01593	0.2
618.50482	0.2
689.40277	7.4
690.40643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.9701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	52.6
60.01719	0.3
70.64119	0.5
86.49205	0.2
90.97137	0.5
101.37674	0.3
132.98230	1.8
141.63763	0.3
156.99875	0.4
174.99237	31.8
192.95917	0.7
217.00278	100.0
218.00613	1.4
374.99179	73.5
375.99423	2.0
436.61853	0.3
532.98108	21.1
533.98419	0.9
690.96716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81566	1.7
59.01376	5.2
63.61856	1.6
68.50270	1.6
69.75629	1.7
69.75975	5.6
78.30023	1.5
86.16029	1.6
98.62460	1.9
124.01649	1.9
125.02435	5.2
137.02388	3.1
138.03185	4.3
161.06018	2.1
166.02635	2.9
179.07130	30.6
190.02797	3.1
191.98906	3.7
192.00635	53.3
193.01399	11.8
194.02243	10.1
205.01414	3.1
206.02170	3.3
207.02971	34.9
221.55258	1.4
222.01666	4.7
223.06097	15.6
234.01698	16.5
237.04030	1.8
249.04111	9.2
277.38339	1.5
305.06555	2.6
312.04871	11.3
313.71893	1.6
327.07190	100.0
328.07419	3.7
363.04895	9.1
366.66812	1.8
385.11279	23.2
424.03162	1.9
425.24377	1.8
608.64893	2.0
693.01215	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	691.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42727	1.3
71.07087	1.5
88.17451	1.2
96.96017	9.5
121.27891	1.3
125.02423	5.2
126.12840	1.6
135.34703	1.3
162.03214	1.6
164.01181	2.9
164.12740	1.2
166.02753	1.6
169.01395	2.0
177.01884	2.0
178.02750	1.3
178.86285	1.3
179.07141	2.0
190.02698	4.2
192.00639	59.4
193.01367	12.4
194.02232	12.9
205.01445	2.3
206.02266	2.9
207.02985	38.3
208.03467	1.2
222.01668	3.6
223.06198	2.3
234.01695	14.6
237.04025	3.4
249.04062	8.0
312.04861	14.0
327.07211	100.0
328.07562	3.8
341.73749	1.5
363.04889	9.2
375.41510	1.3
385.11499	1.8
406.64246	1.2
408.00580	1.2
426.57458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76134	1.0
69.07993	4.0
69.08393	1.5
77.68597	1.0
96.95985	4.6
98.22691	2.2
109.02930	2.6
109.06578	2.5
111.04464	0.9
116.77934	0.9
117.07192	0.9
123.00916	1.5
123.08107	1.0
124.01645	6.3
125.02457	13.9
126.43796	0.9
137.02431	9.0
138.03229	15.1
139.04004	2.5
150.03221	1.8
151.07643	2.1
152.01088	1.1
153.02016	0.9
161.02402	1.2
161.06088	5.3
163.03964	4.2
164.01183	1.8
164.04721	1.4
165.01910	1.7
166.02646	1.4
167.03448	2.6
173.28703	0.9
177.01991	1.0
177.05476	1.5
178.02634	1.1
178.06267	1.8
179.03552	2.8
179.07127	100.0
180.07460	2.7
190.02650	1.9
191.07336	0.8
192.00642	27.1
193.01433	6.5
194.02191	3.8
205.01335	1.6
205.04910	0.9
206.02136	1.0
207.02974	14.9
218.40335	1.0
219.06570	2.1
222.01677	1.8
223.06099	54.7
224.06480	1.1
234.01689	6.5
237.04034	1.9
249.04070	5.5
305.06662	12.1
312.04822	5.6
327.07193	38.0
328.07639	2.2
332.61771	0.9
360.60803	0.9
363.04794	3.7
385.11377	75.6
386.11621	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	691.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58725	0.3
55.86095	0.3
57.03447	3.4
59.01376	0.8
63.00529	0.3
69.03436	0.7
69.65993	0.3
71.01367	0.7
71.43935	0.3
80.02647	0.6
81.03456	3.3
83.01382	3.2
84.37325	0.3
85.02966	0.5
89.83294	0.3
93.03457	1.7
93.50204	0.3
95.01363	0.6
95.05027	3.6
96.96004	0.6
97.02950	6.3
99.04494	0.3
105.03469	0.4
107.05023	0.3
108.02171	0.9
108.94245	0.3
109.02950	22.8
110.03378	0.3
113.02456	0.5
121.02958	3.4
122.03713	1.3
123.00873	0.9
123.04523	15.4
124.01641	1.0
125.02446	26.2
126.02779	0.8
131.05019	0.4
133.02922	0.5
135.04541	1.7
137.02446	9.1
138.03207	1.3
139.04001	3.7
143.05046	0.3
145.02922	1.0
146.03740	1.4
147.04507	0.5
149.02441	3.6
150.03194	1.1
151.04010	9.0
157.06607	0.5
159.04491	2.3
160.05312	1.6
161.02452	2.1
161.04686	0.4
161.06067	5.1
162.03276	2.0
163.04002	1.4
164.01152	3.4
165.00667	0.4
165.01941	4.2
166.02751	0.9
167.03484	4.9
168.00635	0.6
169.01440	2.7
173.06041	0.7
174.03236	1.0
175.00433	0.3
175.04028	2.9
175.07626	1.6
177.01932	5.2
177.05542	0.8
178.02274	0.5
179.03484	6.2
180.04044	0.4
183.02942	1.0
185.06079	0.9
187.03995	4.4
188.04767	3.5
188.31346	0.3
189.05269	0.4
191.03525	0.4
199.04028	0.4
199.07597	0.6
201.05551	0.7
202.06381	1.8
203.07132	12.8
203.09055	0.6
204.07372	0.4
205.05051	8.5
212.04796	0.6
217.05130	0.8
217.08809	0.4
219.03036	0.3
221.08157	3.7
227.07121	2.3
229.05017	0.6
230.05742	0.6
231.02966	0.6
243.03111	1.8
245.08191	18.1
246.08643	0.5
247.06123	1.0
248.15073	0.3
261.04031	1.0
269.10287	1.0
271.06165	0.8
273.04147	0.4
285.04056	0.5
287.05649	1.1
289.07178	100.0
290.07529	3.2
293.04755	0.3
303.05020	0.8
305.06686	1.0
319.04599	0.7
340.45911	0.3
401.14801	1.4
421.53882	0.4
423.07016	0.4
429.08167	0.4
691.28357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32507	2.4
58.11314	2.5
59.01381	17.2
61.98825	3.6
68.37080	2.4
69.35339	9.1
71.01379	59.9
73.02934	3.3
73.69985	2.3
85.02980	3.1
89.02425	5.1
101.02451	5.5
109.06586	10.7
113.02472	3.9
125.09660	4.5
155.10675	2.7
163.11299	5.8
171.10271	38.2
183.13890	7.0
185.11813	9.6
197.11804	5.8
199.09741	7.3
199.13402	3.6
201.11328	5.7
207.10274	33.5
208.10645	2.5
209.11786	15.3
210.12283	2.8
211.13405	100.0
225.11270	19.0
227.12865	3.5
235.08147	8.0
253.09297	13.1
266.15195	5.3
373.23752	4.8
383.22287	8.9
401.23392	15.3
419.24402	3.1
447.22134	4.7
461.20258	9.7
583.90125	2.5
609.32916	6.4
619.31274	17.0
637.32300	86.2
655.33374	36.4
659.33344	3.9
691.30890	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	691.3183
Annotation	Pisumoside B
Peak:m/z	Relative Intensity
53.97010	0.7
55.01876	1.7
57.03443	2.0
59.01375	5.1
68.15460	0.5
69.03448	0.9
69.27346	3.1
71.01379	3.5
71.05008	2.7
73.02929	0.8
74.02482	0.6
81.03468	0.7
83.05021	2.2
85.02962	1.3
87.04543	0.7
89.02441	1.8
95.05043	0.8
96.96004	0.9
98.22606	1.2
99.67340	0.6
101.02456	1.1
101.06091	2.5
109.02974	1.0
113.02457	1.5
119.03509	0.6
120.03714	0.5
121.02933	1.2
123.00888	0.8
124.01680	1.6
125.02444	16.0
136.05267	0.9
137.02440	2.0
137.06093	1.2
139.04013	0.8
149.02347	1.0
149.06107	1.1
151.04015	1.1
161.02403	1.7
165.02075	0.7
166.02588	0.6
167.03523	4.5
169.01442	3.5
175.04057	1.0
177.01926	9.0
177.05579	0.6
183.02931	0.8
203.14409	1.9
217.05171	0.9
221.15469	2.2
243.03009	3.2
245.09334	0.8
247.13368	6.8
249.14949	35.7
250.15240	2.3
255.02980	0.8
261.04037	0.8
265.14670	1.0
267.07153	0.7
279.16037	2.0
287.05518	1.3
287.16855	1.3
287.20154	17.4
288.20468	1.5
289.17792	0.8
293.17484	1.4
303.05063	1.9
303.19675	1.6
305.06769	0.9
305.17932	1.3
305.21185	34.1
306.21527	2.7
307.19202	4.3
319.18939	1.3
321.20657	4.8
323.22324	9.7
329.21167	0.9
331.19235	3.1
349.20163	47.2
350.20441	4.5
365.19638	0.8
367.21228	100.0
368.21649	6.1
391.21332	0.8
423.07443	0.8
511.25494	2.0
529.26599	23.6
530.27063	2.6
662.29144	0.7
673.31439	0.8
691.31824	90.6
692.32117	11.1
706.83014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15487	1.1
55.01878	1.2
55.85546	1.0
57.03432	2.0
57.55878	1.0
59.01373	10.6
59.85439	1.0
69.03435	1.2
69.18529	0.9
70.35733	1.0
71.01374	26.1
73.02938	1.7
80.02675	1.3
81.03455	1.3
83.01386	1.2
83.05022	4.2
85.02963	2.0
89.02467	5.1
97.06593	4.5
98.69778	1.1
101.02445	4.8
107.28838	1.2
109.06600	1.5
111.08008	0.9
113.02466	3.5
125.09712	1.9
151.11290	14.0
162.54793	1.2
163.11308	4.0
165.12839	1.5
169.12331	77.6
170.12717	2.1
171.10281	14.7
181.12337	1.1
183.13910	2.4
185.11819	2.0
195.10226	2.1
197.11768	2.3
199.09723	2.6
201.11328	2.2
207.10190	6.2
209.11832	46.3
210.12192	2.6
211.13420	24.6
212.13654	1.6
213.11340	9.3
225.11319	4.2
227.12894	4.3
235.08186	1.8
253.09306	8.1
275.16248	1.0
383.21851	1.1
401.23154	4.1
431.98822	1.2
447.22003	2.2
449.20300	5.2
461.20087	1.4
619.31329	2.7
637.32056	17.1
638.32196	2.5
638.47980	1.2
641.32867	1.3
655.33002	6.4
659.32825	100.0
660.33112	11.6
691.35516	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	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.2
59.01376	3.6
61.49754	0.2
61.98822	0.3
64.65012	0.2
69.17506	1.3
71.01382	1.9
71.04982	0.2
73.02931	0.7
77.49886	0.2
80.02678	1.2
81.03460	0.9
83.01364	0.4
83.05021	4.7
84.02153	0.7
85.02961	0.6
87.00871	0.5
89.02451	1.5
95.01396	0.3
95.05022	0.6
97.06576	0.4
98.22674	0.4
101.02433	2.0
109.06619	0.2
113.02468	1.2
119.03479	0.4
125.02445	0.4
125.06093	0.3
125.09743	1.2
127.11266	1.0
135.08177	0.4
155.10808	0.6
161.04543	0.8
163.11267	2.9
165.09210	0.5
165.12830	1.9
171.10283	1.9
172.10626	0.3
179.05589	0.3
181.12347	0.8
183.10107	0.3
185.11806	0.4
191.10783	0.9
199.09801	0.3
199.13402	0.8
201.11319	22.8
202.11610	0.7
209.11819	100.0
210.12157	3.6
211.13431	0.7
225.11330	0.5
227.12888	16.2
228.13191	0.6
235.08224	2.5
247.13437	0.2
253.09290	8.0
257.25522	0.3
262.36053	0.2
321.06366	0.2
332.32755	0.3
335.31891	0.2
361.27637	0.3
375.21823	0.5
392.97421	0.3
393.22437	0.3
426.50766	0.3
437.20340	0.9
445.20795	2.9
446.21179	0.3
463.21899	0.5
463.99313	0.2
611.30499	0.4
629.31976	0.3
637.32379	0.5
655.32568	0.4
694.96411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	25.7
61.98824	21.7
69.77843	4.3
71.01377	13.0
71.44679	4.7
83.05062	5.7
88.98762	5.4
89.02451	5.5
89.47758	5.3
95.81362	5.3
96.96007	7.7
101.02468	7.5
102.88903	4.3
123.00117	5.0
125.02433	16.2
161.02423	5.6
168.16267	4.8
169.12428	9.8
171.10265	20.0
185.11838	18.0
197.11772	26.3
201.11259	23.6
201.22061	5.0
207.02998	9.4
207.10201	6.0
209.11832	100.0
210.12210	7.7
211.13463	78.3
227.12857	24.3
235.08319	5.5
253.09181	13.9
433.21045	7.9
447.22046	13.0
610.19452	5.7
639.33850	13.2
657.34448	8.3
693.32666	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72703	4.4
54.99079	4.5
57.67493	3.9
59.01386	30.0
61.27567	4.5
61.98824	15.7
69.55436	17.2
71.01393	8.9
77.75347	4.9
78.47438	5.1
87.34477	4.4
100.36591	4.8
101.02425	7.6
124.32211	5.5
125.02409	5.5
127.20913	4.5
129.46817	4.9
138.08928	4.4
169.12372	4.4
171.10263	42.0
183.13893	8.3
209.11877	33.3
211.13409	100.0
227.12903	11.0
235.08318	9.0
266.32547	4.8
295.22690	8.2
397.13113	7.4
415.14609	5.3
447.22174	15.5
639.33716	8.8
693.32391	26.8
694.32544	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	695.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07015	0.7
55.01860	0.9
57.03443	1.2
59.01376	41.6
69.26600	0.8
69.69901	1.6
69.70290	1.4
71.01378	32.6
73.02948	5.6
83.01392	2.1
85.02934	7.3
87.00874	5.1
89.02443	40.3
95.01368	1.8
98.21992	1.2
99.00909	1.0
101.02445	23.0
104.12617	0.7
113.02448	17.2
119.03495	15.2
119.04955	1.2
119.75968	0.7
125.02415	2.0
131.03505	9.5
134.03757	1.2
143.03474	7.0
145.02928	1.5
147.04507	0.9
149.04549	2.0
159.02995	1.1
161.04549	18.5
161.08163	1.0
179.05605	72.9
180.06062	1.2
193.05092	1.2
195.08170	1.2
205.06479	0.7
206.07349	1.8
207.08154	4.1
209.05965	1.9
217.06715	0.8
221.06650	42.4
222.06866	1.8
223.07622	3.9
233.06052	2.4
234.06816	2.6
235.07642	7.7
247.07806	1.0
250.06238	2.0
251.07098	31.6
252.07503	1.9
261.05594	2.2
262.06256	4.6
263.07547	40.8
264.07901	8.6
265.08572	0.9
267.06635	2.1
276.07794	1.1
277.08551	1.5
278.05884	1.7
278.09320	1.8
279.06604	43.2
280.07028	3.4
282.08948	1.3
293.08344	3.7
294.08936	13.3
295.02792	1.4
295.06110	18.0
295.09235	1.0
307.06073	8.1
308.06760	2.8
309.07703	0.8
309.11145	0.9
310.08493	5.8
321.07690	2.5
322.08426	14.5
323.05588	44.1
323.08942	2.5
324.05862	2.6
337.07184	1.5
338.07944	35.2
339.08359	2.4
353.10269	100.0
354.10513	7.2
357.90247	0.7
412.28052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.3
59.95518	3.9
61.98829	100.0
66.66462	3.7
69.23007	3.3
110.38266	3.5
113.02473	3.8
116.92847	14.0
127.48067	3.8
162.26476	3.6
171.10191	8.5
185.11803	12.6
211.13387	53.7
212.13860	5.2
235.08247	3.3
297.24316	4.2
333.52719	3.7
447.22339	13.0
615.34015	3.9
623.34009	6.1
641.35431	10.0
695.34161	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
61.98827	27.9
102.27876	3.0
169.01283	4.4
183.13794	4.8
195.13890	7.3
205.12329	8.5
211.11371	5.7
211.13391	100.0
212.13766	3.4
223.13374	86.1
253.09279	8.4
343.90741	4.0
444.76508	4.6
447.22153	11.0
459.22324	13.2
563.94153	3.3
583.32349	3.7
592.88708	4.0
653.35107	6.1
701.14160	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	696.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17493	0.4
55.01863	1.0
57.03447	0.5
58.00601	0.5
59.01376	37.5
69.03445	1.2
71.01378	20.2
71.01966	0.5
72.99277	0.7
73.02951	4.2
81.03454	1.3
83.01382	2.5
83.55986	0.4
85.02947	4.6
87.00874	4.6
89.02439	20.7
91.04009	0.6
95.01389	1.5
97.02935	4.0
98.21881	1.1
99.00880	1.6
101.02437	18.2
109.02960	0.4
111.04527	0.5
113.02447	7.8
115.03931	0.6
119.03489	5.5
125.02438	8.2
127.03988	0.7
131.03491	1.2
133.05052	0.5
139.04117	0.4
143.03514	3.4
153.05508	0.4
161.04552	4.5
167.03490	0.6
179.05617	4.2
185.04460	0.7
217.07283	0.7
221.06551	1.9
235.08195	8.5
253.09277	1.6
255.23276	64.9
256.23538	2.8
263.07745	0.9
278.83917	0.4
287.07730	3.4
305.08746	4.0
323.09671	1.4
379.12418	1.0
397.13458	100.0
398.13824	3.1
415.14520	28.5
416.14755	1.1
653.37329	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	696.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47264	0.8
57.03436	0.8
57.04949	0.7
59.01377	40.5
61.98827	2.6
67.50801	0.8
69.94565	1.1
69.94876	1.3
71.01379	25.1
71.01775	1.3
72.96615	0.7
73.02943	4.2
75.00819	0.7
79.33926	0.7
81.03466	1.3
82.29778	0.7
83.01380	3.1
85.02950	5.3
87.00877	4.0
89.02439	23.6
95.01397	1.8
97.02908	4.1
99.00874	1.3
99.98135	1.0
100.19685	0.8
101.02446	20.1
111.04545	1.1
113.02454	8.7
119.03494	7.2
125.02441	7.7
143.03471	3.0
151.60869	0.7
161.04558	3.5
179.05594	3.6
221.06627	1.7
235.08192	10.3
253.09258	1.9
255.23280	68.4
256.23700	4.1
277.09485	0.9
287.07721	3.0
305.08813	4.5
323.09717	1.5
397.13467	100.0
398.13867	3.6
415.14551	30.3
416.14841	1.4
476.27878	0.8
549.99261	0.8
653.37598	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	697.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.01370	0.6
61.89147	0.1
71.01380	0.4
73.97482	0.1
75.00879	0.2
79.95730	1.9
85.02943	0.3
87.00905	0.2
88.98801	0.5
89.02442	0.2
95.95270	0.2
96.96007	100.0
97.95956	0.2
98.95601	1.5
98.96264	0.2
111.00786	0.1
112.56237	0.1
113.02448	0.4
123.00896	0.2
124.01662	0.2
125.02445	1.9
125.43112	0.2
137.02422	0.3
139.04053	0.2
147.25655	0.2
153.09172	0.3
153.54233	0.2
155.11517	0.1
165.05423	0.2
166.02560	0.1
167.03462	0.4
169.01433	0.6
175.03983	0.2
177.01884	0.6
214.02774	0.2
233.44714	0.1
249.06155	0.1
255.02953	0.2
259.02789	42.2
260.03152	1.6
261.04257	0.7
281.01166	0.2
344.12231	0.2
491.15857	0.2
526.12805	0.2
697.20581	1.1
718.32318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.8
59.01375	6.7
71.01376	1.3
85.06578	1.8
87.03633	0.6
89.02439	1.4
93.03420	0.7
107.01362	1.4
107.05000	0.6
109.02916	1.2
111.00874	2.0
113.06062	1.5
121.02931	1.2
123.00876	2.0
124.01669	3.2
125.02445	8.8
131.07147	13.2
137.02420	2.0
140.01123	1.1
145.02945	0.6
149.02434	2.3
151.00322	1.1
151.03976	0.9
153.01810	0.7
161.02394	1.4
162.03239	0.9
164.01128	1.9
165.01930	2.5
166.02664	1.2
166.99782	0.6
167.03407	1.6
168.00630	3.2
169.01436	7.1
173.08191	5.8
177.01936	1.8
181.04787	0.7
190.02716	1.7
191.03482	1.0
192.00652	33.5
193.01410	46.3
194.02095	4.0
205.01392	0.9
206.02202	1.6
207.02980	9.6
209.11903	0.8
211.02432	6.6
221.01001	1.2
222.01617	1.1
223.02426	1.1
225.03963	0.8
234.01707	5.0
235.02412	4.5
237.03941	0.9
249.04037	2.9
249.79561	0.7
266.59122	0.6
271.04559	2.4
294.03976	0.7
312.04871	3.8
313.05753	2.8
327.07220	1.8
345.66754	0.7
464.06009	1.3
479.08295	100.0
480.08594	5.4
534.22778	1.7
535.23059	1.5
697.27106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87130	0.5
84.53214	0.5
97.15119	0.5
98.21877	1.3
108.25417	0.5
116.92827	0.9
124.01662	1.2
125.02455	3.9
133.02946	0.7
136.01622	0.5
136.75575	0.5
137.02438	1.0
138.03238	0.8
150.03098	0.5
151.03986	1.0
152.01117	0.7
161.02414	3.0
162.03192	2.1
164.01154	3.4
165.01936	0.6
166.02711	3.9
167.03401	1.2
168.00687	0.7
169.01418	0.7
177.01935	2.3
177.05563	0.5
178.02679	1.9
178.99788	0.9
180.00642	0.6
190.02684	6.0
192.00639	67.1
193.01396	18.3
193.05040	0.6
194.02180	13.7
195.02885	0.5
205.01431	4.6
206.02216	4.3
207.02977	35.2
207.06383	4.4
208.03456	0.9
209.04607	0.8
220.03729	0.5
220.36546	0.5
221.00929	2.0
222.01733	5.8
233.00951	0.7
234.01675	24.0
235.02156	0.7
237.04007	3.5
249.04031	10.4
294.03836	0.7
305.06848	0.6
312.04865	16.3
327.07193	100.0
328.07465	3.7
395.63120	0.6
674.94867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06822	0.2
57.03446	0.2
57.30744	0.1
59.01375	0.5
61.98828	100.0
69.33212	0.9
71.01379	0.3
83.92354	0.2
89.02423	0.2
93.03470	0.3
96.95974	0.2
108.02177	0.2
122.03796	0.2
123.04399	0.2
124.01652	0.2
125.02469	1.1
125.13838	0.2
127.80714	0.2
136.05302	0.3
137.01585	0.2
137.02454	0.9
149.02431	0.3
150.03217	0.3
152.01215	0.3
165.05566	0.4
167.03468	0.3
169.01373	0.2
177.01915	0.2
177.26358	0.2
265.18002	0.9
271.06219	0.5
281.17706	0.4
293.17596	5.8
293.20840	0.3
294.18073	0.3
309.17062	10.9
310.17587	1.0
311.18701	0.5
382.53668	0.2
422.70181	0.2
455.22623	0.3
472.22916	1.5
473.23981	0.6
635.29199	9.8
636.28827	0.8
698.30579	0.6
699.33545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
71.01399	0.4
88.41522	0.3
93.03481	0.4
101.02429	0.4
108.02172	0.8
112.23731	0.3
112.34667	0.3
113.02586	0.3
121.02975	0.5
122.03735	1.6
124.01636	0.4
125.02453	0.6
132.02173	0.7
133.02975	0.7
134.03757	1.1
136.01665	2.1
149.02449	2.0
149.06119	0.3
150.03232	8.9
151.04065	0.5
160.01677	2.9
161.02437	2.1
162.03233	0.7
163.00410	0.4
164.01151	8.9
165.01871	0.7
165.05566	7.2
166.02641	0.7
166.05908	0.3
175.04013	4.2
176.04741	0.5
177.01938	0.9
178.02701	0.4
178.99875	3.2
180.04239	0.6
189.01944	0.4
190.02693	1.9
190.99800	0.5
191.07115	0.8
192.00642	100.0
193.01355	8.3
193.05080	1.2
194.02180	2.5
195.06599	3.2
197.06563	0.3
205.01312	1.6
206.02148	1.4
207.02975	54.3
208.03209	1.8
221.00842	0.5
222.01723	1.2
232.03842	0.7
234.01683	6.4
235.02425	0.7
235.06070	0.9
237.04013	1.0
238.35579	0.3
249.04031	5.0
291.04980	0.3
294.03696	0.4
295.08347	1.8
309.06149	2.9
312.04999	0.4
327.07245	0.9
402.63171	0.4
433.23444	0.3
433.51138	0.3
473.26038	0.3
488.09787	0.4
489.10062	0.3
493.27774	0.4
503.11945	20.0
504.12305	1.4
651.16760	1.0
656.24127	0.3
699.18951	5.9
699.31726	1.9
700.19202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.1
59.01376	18.5
67.01859	1.2
67.63528	1.1
68.99801	3.9
69.03439	1.5
69.11044	2.1
69.11431	4.5
71.01374	20.1
72.99308	7.8
73.02930	1.4
75.00865	17.5
75.42072	1.1
76.84947	1.2
81.03459	1.3
83.01376	1.4
85.02943	22.4
87.00870	5.1
88.98792	4.7
89.02428	5.6
91.04033	1.4
93.03436	3.5
95.01386	4.9
97.02935	1.2
98.22755	1.5
98.85317	1.2
99.00883	11.9
109.02942	4.7
111.00867	2.5
113.02441	23.2
114.11649	1.3
115.00340	1.7
117.01917	4.1
119.75343	1.1
121.02940	5.4
123.00838	1.8
123.04488	1.3
125.02442	16.1
126.02773	1.7
129.01918	2.2
133.02934	1.4
134.03737	2.2
135.04454	2.3
137.02452	13.4
139.03989	2.0
148.43732	1.3
149.02435	24.0
150.03214	4.7
151.03976	2.0
152.01068	1.9
153.01918	5.8
157.01445	1.9
161.02394	2.1
163.03984	6.0
163.05446	1.2
164.04791	20.9
165.01921	47.0
165.05670	1.3
166.02718	6.1
167.03459	6.8
169.01401	5.4
175.00304	2.0
175.02531	1.9
176.01091	2.7
177.01926	6.3
178.06306	3.9
179.03453	8.8
179.07138	5.0
180.04288	29.6
180.05833	1.1
181.05054	9.2
187.72368	1.3
189.03995	1.5
190.02725	3.0
190.78392	1.3
191.03413	2.7
193.01398	3.4
194.05812	2.7
195.02985	2.4
195.06618	28.0
205.05011	4.8
207.02942	1.7
208.03741	5.7
209.08122	4.9
209.52007	1.3
210.05327	4.7
211.06033	8.2
223.06107	18.7
225.07732	8.5
231.05077	2.6
243.02994	1.4
249.06155	35.1
253.41846	1.3
267.07132	5.5
282.07495	1.8
283.08212	2.4
287.05612	1.5
297.09772	3.0
319.04681	1.6
325.09317	1.7
358.03659	1.4
411.12988	3.7
455.11655	3.9
463.08502	1.4
471.11429	2.1
472.12112	12.9
473.12775	13.5
487.14490	1.8
519.20227	4.5
527.14117	2.3
559.47650	1.6
681.20355	3.6
699.21344	100.0
700.21680	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	699.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99971	1.2
59.01385	6.0
64.30463	1.3
69.26280	3.0
69.26669	2.7
69.57538	1.2
71.01363	4.2
73.40190	1.2
74.65913	1.3
75.30488	1.1
81.28384	1.3
85.02939	1.3
96.96008	7.2
99.90167	1.2
101.02427	2.3
107.74100	1.3
108.02141	6.2
109.02945	27.8
111.00882	1.4
123.04525	3.9
124.01678	2.6
125.02441	14.2
136.05264	2.9
137.02454	3.2
138.03256	10.5
139.03967	2.2
149.09769	1.8
151.04030	6.1
152.01178	8.8
153.01930	56.8
161.02434	1.3
164.04781	1.4
165.05565	9.1
166.06349	2.8
167.03508	5.1
169.01395	5.3
175.04005	1.5
175.07664	1.6
177.01909	4.8
177.09204	34.9
178.06203	1.8
193.08682	9.2
194.09370	3.4
195.02977	34.9
195.10205	6.7
211.09811	1.4
221.08203	22.2
225.03986	2.2
237.07622	4.1
238.08447	49.7
239.09218	72.3
240.09607	3.3
243.02791	1.5
255.05107	57.8
256.05371	1.5
297.06131	18.6
308.88977	1.4
370.89468	1.3
401.14404	9.1
444.63144	1.3
537.16113	100.0
538.16241	7.9
563.19678	2.2
645.35016	1.5
661.30359	1.3
699.21381	95.1
700.21503	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	699.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03446	2.0
59.01365	1.8
69.41225	2.9
70.58871	0.7
71.01410	1.0
72.99304	0.8
73.02947	0.9
78.95923	0.8
79.57571	0.7
80.72433	0.7
89.02444	0.9
95.05019	8.9
101.02425	1.0
105.07100	3.9
108.90272	0.8
109.02955	1.3
109.06586	2.4
115.00396	0.9
123.04430	1.0
125.02448	2.0
133.01418	2.7
133.06648	1.6
136.05321	1.1
149.06075	49.5
150.06566	0.9
151.07640	100.0
160.05232	3.5
161.06140	1.2
163.07620	1.7
173.06049	3.5
173.10324	0.7
175.07634	45.2
176.07944	1.0
177.01868	1.6
177.05579	2.5
187.07635	2.6
191.07051	1.8
193.08678	4.8
195.06615	41.4
196.06976	0.9
205.08672	1.2
206.93721	0.7
219.06639	4.1
237.07663	51.5
238.07997	1.7
249.07642	0.9
267.08673	9.4
268.52756	0.7
279.08948	0.9
301.56537	1.0
305.06421	1.2
340.73117	0.8
341.10992	0.8
357.11865	79.1
358.12195	1.7
516.54333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.44487	1.0
82.90870	0.7
91.87286	0.7
92.31940	0.7
140.24210	0.8
153.32631	0.7
269.23856	0.7
299.75940	0.7
467.19406	0.7
562.21722	0.9
719.72528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96795	0.1
57.69624	0.1
58.12489	0.1
59.01383	0.5
61.98827	100.0
62.98543	0.1
65.58935	0.1
71.01395	0.2
83.05055	0.1
89.02460	0.1
95.04996	0.1
98.21886	0.3
101.02457	0.1
171.10298	0.3
209.11832	2.5
210.12083	0.1
211.13391	2.9
211.66472	0.1
227.12941	0.3
235.08340	0.1
249.15083	0.1
253.09299	0.3
279.73599	0.1
307.85278	0.1
447.22522	0.2
545.59167	0.1
622.32593	0.2
666.07550	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	701.118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89891	0.4
69.90234	0.3
79.95731	1.6
96.96004	100.0
101.02458	0.4
125.02407	0.6
162.22418	0.2
167.03532	0.3
169.58562	0.2
177.01923	0.6
179.35701	0.2
259.02786	51.2
260.03088	2.2
261.04422	0.7
330.12216	0.2
330.64020	0.2
442.73828	0.2
553.79163	0.2
641.30084	0.7
655.53571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90786	1.3
57.23437	1.6
59.01377	46.8
69.03465	2.8
69.70944	1.4
70.43736	3.1
71.01380	33.6
73.02929	2.1
81.03457	2.7
83.01409	1.8
85.02945	7.9
85.33015	1.3
87.00874	23.9
89.02444	33.1
95.01392	4.3
97.02943	15.0
99.00874	1.7
101.02431	17.6
107.01344	1.5
113.02461	11.9
116.79234	1.3
119.03519	8.5
125.02444	100.0
131.03491	1.4
139.04033	7.8
143.03497	9.7
161.04562	7.9
167.03510	5.1
179.05621	7.6
235.08356	3.8
252.40863	1.4
263.07651	4.1
287.07669	5.7
305.08792	5.9
323.09805	5.7
341.10782	2.4
485.14960	8.0
503.16055	16.5
607.45593	1.6
665.21466	91.9
666.22009	7.5
701.19006	40.6
702.19214	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
62.07737	0.5
63.91586	0.5
65.76909	0.5
69.49570	1.8
73.65301	0.4
85.62246	0.5
145.12411	0.5
202.74738	0.5
265.10931	0.6
350.10303	0.5
429.68423	0.5
437.12360	0.7
438.13232	4.3
439.13522	0.6
452.14984	2.5
453.15820	0.7
466.12259	0.6
480.14050	0.7
481.15155	31.2
482.15604	6.0
483.16489	0.6
495.16821	11.5
496.17300	2.4
497.18372	5.4
498.18085	0.6
514.15015	1.1
523.16382	0.9
525.13971	0.7
539.15833	1.9
540.16492	16.0
541.16840	2.4
553.16998	0.8
554.17938	4.9
555.18811	51.6
556.19098	8.6
567.18378	1.1
572.15442	8.1
573.15582	1.6
586.17090	3.9
587.17670	0.9
609.19806	1.5
627.21088	1.1
634.18640	0.5
641.22498	26.4
642.22656	4.7
701.24573	65.5
702.24792	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	701.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95512	27.4
59.01360	50.0
61.98822	47.4
65.65192	26.5
69.98364	77.6
116.83186	24.9
171.10327	80.4
211.13324	46.0
213.18729	28.9
223.13387	100.0
290.40576	30.6
311.22327	59.8
642.66571	31.7
662.99530	37.0
701.32831	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
57.03442	1.0
59.00057	0.9
59.01377	10.7
61.98835	1.1
69.23431	4.4
71.01385	4.6
73.02930	1.6
85.02930	1.7
93.03458	1.1
95.05038	1.3
99.96207	0.8
101.02419	1.1
109.02976	1.2
109.06533	0.9
113.02454	2.6
113.06082	1.6
122.03761	1.0
123.04541	1.2
125.02462	2.8
127.07694	4.6
134.35078	0.8
136.04411	0.8
136.05287	5.4
137.02472	1.3
137.06047	3.2
141.01727	1.9
149.06075	3.8
150.03233	2.0
155.10956	0.8
157.76117	0.9
165.05568	2.2
167.03468	1.7
167.06197	1.0
174.59654	0.9
175.03938	1.1
177.01917	1.5
187.46181	0.9
192.00623	14.6
193.01001	5.7
194.01131	3.1
195.06613	1.7
205.12305	1.0
207.03004	7.2
208.03276	3.6
209.03526	2.6
221.11842	0.9
249.14899	9.1
263.16495	10.4
271.04037	0.9
287.20313	3.6
298.70224	1.0
315.23273	43.6
316.23593	2.0
333.20868	1.6
333.24393	12.8
335.22253	1.9
339.23196	2.6
341.21234	6.2
359.18521	1.3
359.22324	12.4
377.23349	100.0
378.23785	4.9
391.24719	1.2
401.23325	3.1
475.83521	1.1
504.12143	1.7
505.12808	3.2
539.28613	36.1
540.29102	2.3
554.92078	1.0
701.33917	96.9
702.34308	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	701.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74319	0.2
78.01099	9.8
80.02674	0.4
83.05000	0.5
110.00110	0.6
110.20953	0.2
111.00870	0.9
124.98776	0.4
137.99532	0.4
139.00385	0.6
179.16527	0.3
179.18027	2.7
193.15942	0.9
195.17529	29.7
196.17914	0.6
207.17494	0.8
219.17523	55.2
220.17848	1.9
223.17001	0.6
235.17087	0.3
239.16505	0.7
251.16505	17.2
252.17010	1.0
279.15991	4.6
280.16605	0.5
289.14233	0.2
296.16232	0.4
297.17059	6.6
307.15417	1.3
311.18604	0.6
319.31384	0.2
339.18085	100.0
340.18433	3.8
449.49872	0.2
603.83514	0.2
619.80835	0.2
701.35114	5.0
702.35071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
61.98830	7.2
64.97017	0.5
67.51907	0.5
69.11457	1.6
69.11863	1.8
71.01372	2.1
79.64567	0.5
85.02954	0.6
89.02441	1.3
98.21859	1.0
101.02471	1.0
113.02422	0.8
119.03492	0.7
126.47478	0.5
161.04504	0.6
171.10301	1.2
183.13890	5.5
193.12389	1.8
209.11829	1.7
211.13391	100.0
212.13725	4.5
219.56740	0.5
227.12874	0.7
235.08247	1.3
253.09293	2.4
387.25336	1.2
405.26572	0.7
429.21271	1.9
447.22339	12.1
448.23062	0.6
615.40027	0.6
623.34259	5.3
624.35266	0.7
641.35785	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	702.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98829	100.0
68.68805	0.1
71.01395	0.5
77.26713	0.1
83.05062	0.1
85.02963	0.1
98.22609	0.5
101.02454	0.2
132.99709	0.2
171.10304	0.2
185.11891	0.5
197.11894	0.6
209.11852	0.5
211.13383	2.0
223.13547	0.2
225.11180	0.2
227.12880	0.1
387.25323	0.3
405.26035	0.2
437.11572	0.2
447.22437	0.2
623.34381	1.3
671.33044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61461	0.2
79.95719	2.7
95.95273	0.3
96.96007	100.0
97.95898	0.2
98.22675	0.4
136.27586	0.2
136.63495	0.2
151.07614	0.3
161.58194	0.2
167.03448	0.2
217.05380	1.6
218.36710	0.2
261.04355	46.4
262.04678	1.5
267.65329	0.2
447.90530	0.2
635.74066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63744	13.2
66.91327	15.9
70.98919	15.2
78.31142	14.7
92.85241	13.9
162.02077	13.3
167.27646	12.5
171.10295	36.8
171.91949	14.8
347.36621	14.2
353.03458	14.4
380.77396	16.2
406.93735	14.6
415.08923	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	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96256	68.2
69.96585	100.0
82.00179	51.8
85.14777	53.7
97.72862	46.8
98.21913	80.4
127.58651	54.3
171.10291	72.0
205.84462	53.9
255.23195	60.0
277.21774	81.1
305.68179	50.6
310.53867	49.5
398.19229	53.0
465.14444	54.6
535.05316	53.7
602.44324	65.1
668.88629	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	704.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
60.01715	0.5
61.01816	0.2
61.75068	0.1
61.98828	100.0
95.84160	0.2
105.27325	0.1
114.73638	0.1
260.27698	0.1
267.62497	0.1
401.63654	0.2
440.13275	0.3
455.15521	0.1
462.97165	0.1
482.15320	0.3
483.15146	1.2
484.15491	1.6
485.16168	0.2
497.16812	0.3
498.17108	0.6
499.18530	0.2
500.18600	0.5
542.16815	0.7
543.16571	0.9
555.18768	0.3
556.18628	0.7
557.18939	2.4
558.19104	3.8
570.18201	0.2
573.15790	0.2
574.15851	0.3
575.15869	0.8
588.17871	0.2
589.17731	0.2
643.22681	0.8
644.22668	2.4
652.71124	0.2
696.14459	0.2
703.24841	1.2
704.24689	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	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87536	0.2
59.01389	0.3
61.98828	100.0
71.01385	0.3
73.02639	0.2
76.62122	0.2
95.42657	0.2
98.37654	0.2
209.11894	0.4
211.13522	0.3
225.11365	0.3
553.67096	0.2
635.79773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.84509	0.3
71.01380	0.1
80.81487	0.1
124.24398	0.1
133.49719	0.1
140.36345	0.1
200.40741	0.1
211.13486	0.2
212.13728	0.1
410.15359	0.1
581.60797	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	704.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06564	0.1
53.44003	0.1
59.01390	0.1
61.98828	100.0
69.66648	0.2
69.66994	0.4
71.01385	0.2
79.21620	0.1
118.55227	0.1
187.84882	0.1
211.13406	0.3
212.13783	0.2
219.86685	0.1
246.10687	0.1
268.65079	0.1
312.17532	0.1
394.17303	0.2
617.61938	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57226	0.2
69.63205	0.2
74.05297	0.2
79.95710	1.7
79.96131	0.2
95.95188	1.0
96.96006	45.0
98.21803	0.4
98.95615	0.2
103.18029	0.2
125.02435	0.5
127.39553	0.2
139.11292	0.3
165.02257	1.5
165.52550	0.2
169.01440	0.3
181.05054	0.3
183.10243	6.0
219.06956	5.5
235.06467	0.2
245.04893	1.3
251.36536	0.2
261.00693	0.2
263.05930	100.0
264.06281	3.3
363.27328	0.2
430.44342	0.2
455.84711	0.2
574.46539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84290	0.6
54.03915	0.5
57.03447	0.8
59.01377	100.0
62.53257	0.6
63.19224	0.6
69.18484	1.3
69.18892	2.7
70.20079	0.7
71.01377	21.6
73.02938	10.1
76.77354	0.6
83.01390	2.6
85.02941	6.2
87.00877	1.2
89.02440	8.8
95.01405	2.5
96.96037	1.0
97.02934	1.0
100.17793	0.6
100.94073	0.5
101.02442	11.9
113.02440	18.8
119.03484	3.5
125.02454	3.2
131.03490	1.4
143.03494	3.2
149.04578	1.6
151.04018	0.6
161.04532	9.9
169.01421	1.8
179.05618	3.4
206.91785	0.6
207.07704	0.7
221.06737	1.0
316.02231	0.9
324.92938	0.7
463.09100	1.9
497.23813	7.6
509.37195	0.6
515.24939	11.5
533.25830	2.8
557.25970	7.6
575.27045	5.8
617.28656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95633	0.8
56.19171	0.8
57.03452	1.5
58.55408	0.6
59.01376	100.0
69.08662	3.6
69.09063	1.2
71.01375	23.4
72.99301	0.7
73.02938	11.2
83.01408	3.6
85.02940	8.9
87.00895	1.6
89.02435	12.1
89.02940	1.1
95.01398	2.9
98.21870	1.7
101.02435	15.2
104.87093	0.7
107.05054	3.1
113.02446	20.2
119.03511	4.5
125.02457	3.1
131.03546	2.6
143.03500	3.9
149.04562	2.0
155.03459	0.8
161.04527	10.9
169.01413	0.8
179.05624	4.9
192.00580	0.9
221.06589	1.6
275.27979	0.8
312.56787	0.7
400.59720	0.8
497.23984	6.8
515.24969	21.7
516.25641	1.5
533.26080	4.6
557.25916	11.2
575.27051	9.8
617.28070	1.0
642.82007	0.9
705.33405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97443	0.7
59.01372	2.0
60.54354	0.7
61.98811	0.7
70.89469	1.0
73.02927	1.2
78.69067	0.7
92.84610	0.8
96.02145	1.3
108.02174	3.5
123.00912	0.9
124.01672	2.4
125.02439	2.1
136.01770	0.9
152.01175	4.6
153.01892	0.9
157.62547	0.7
167.03368	1.1
184.28894	0.8
249.18579	12.4
265.18048	3.8
277.18076	54.2
278.18390	2.8
279.19641	1.0
293.17587	100.0
294.18198	10.5
295.18918	2.7
307.19168	2.3
439.23199	1.8
456.23746	10.2
457.24271	1.0
498.24695	12.0
499.25067	3.1
661.30701	23.5
662.31012	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	705.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06276	0.2
52.93668	0.2
56.29613	0.2
59.01377	2.2
61.98815	0.5
71.01378	2.2
73.02942	0.4
80.02674	1.1
81.03422	1.0
83.01395	0.4
83.05022	4.2
84.02155	0.7
85.02945	0.4
87.00868	0.6
89.02440	1.4
95.05006	0.6
96.81387	0.2
96.96004	0.2
98.21859	0.5
101.02446	1.8
106.08687	0.2
109.06602	0.3
113.02423	0.6
119.03510	0.4
125.02425	0.4
125.06072	0.4
125.09696	0.2
135.08147	0.4
147.59445	0.2
161.04535	0.8
163.11276	3.4
165.12856	1.8
169.12331	0.9
171.10269	2.5
179.05536	0.3
181.12387	0.5
185.11858	0.4
191.10822	0.7
197.11848	0.5
199.13455	0.8
201.11221	0.2
207.10248	0.4
209.11815	100.0
210.12175	3.7
211.13390	0.9
225.11320	0.8
227.12872	13.7
228.13171	0.6
235.08231	2.1
247.13402	0.4
253.09261	5.4
259.15463	0.9
265.14383	0.2
419.24072	0.3
445.20990	1.9
506.90701	0.2
603.88055	0.3
637.32275	0.8
655.33191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71949	1.5
59.01374	15.5
61.98828	39.7
68.48183	1.4
69.48887	1.8
70.32058	3.2
71.01375	14.5
73.02936	3.7
73.57054	1.6
75.82623	1.7
79.75627	1.6
79.95715	2.0
80.96490	4.1
83.05026	6.4
83.27418	1.7
84.02193	2.2
85.02948	4.6
89.02435	6.3
91.45325	1.8
97.02989	2.1
97.06577	1.6
99.00904	1.9
101.02441	8.3
102.95871	1.8
113.02444	3.2
125.02450	2.5
125.09669	2.0
161.04588	2.5
163.11253	6.4
165.12849	10.0
169.12270	2.8
171.10265	12.5
181.12337	5.0
183.13887	100.0
185.11824	5.9
191.10776	2.1
197.11841	4.0
199.13356	7.0
201.11255	2.8
207.10208	9.3
209.11821	74.3
210.12126	2.9
211.13365	29.8
212.13683	2.0
225.11333	11.3
227.12863	16.7
229.37204	1.8
235.08237	4.8
243.12462	1.9
243.78593	1.8
253.09366	10.3
259.15533	2.3
281.67142	1.8
443.19263	2.3
445.20551	2.7
461.20639	2.6
463.21741	3.1
623.34192	3.7
655.33380	3.0
673.34357	97.6
674.34418	7.1
705.38165	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	707.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73188	0.4
57.03439	0.9
71.44920	0.5
79.95747	3.4
81.53786	0.4
83.01365	0.7
96.96009	100.0
109.02945	1.3
125.02441	9.0
137.02441	4.4
139.03972	1.2
149.02461	1.1
151.03995	0.6
159.04448	0.4
161.02405	0.5
164.01100	0.8
165.01897	1.1
167.03545	1.9
172.62500	0.3
175.04033	1.2
177.01932	7.2
179.03520	1.1
187.04015	0.6
189.01811	1.8
219.02995	0.8
219.06650	0.9
231.02895	3.0
232.97688	1.5
236.71950	0.5
240.47528	0.5
243.03017	0.6
255.02975	2.1
257.04321	0.5
261.04449	0.4
265.16827	0.4
273.04068	0.4
283.02454	1.5
285.00714	0.5
297.03989	0.9
303.05099	0.9
305.06616	4.5
309.00845	0.5
327.02023	0.6
328.99646	0.5
340.99847	0.5
347.00674	0.6
352.99875	1.1
371.00809	2.5
383.00592	0.8
395.00589	0.4
413.01581	0.5
423.07114	7.1
427.00232	0.5
437.02121	1.6
441.08182	5.7
461.01978	0.7
469.00702	0.7
479.02924	13.3
480.03809	0.7
483.09766	1.0
497.04105	0.9
521.03888	1.0
539.05261	1.1
609.12543	3.6
647.07513	2.5
707.10461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78737	0.4
57.03444	1.7
65.70063	0.4
73.36037	0.4
79.95741	2.8
81.03472	0.4
83.01410	0.5
88.13056	0.4
93.79216	0.4
95.01351	0.5
95.42916	0.3
96.96010	100.0
98.95539	0.4
109.02951	1.6
111.04553	0.4
121.02962	1.0
123.00842	0.5
125.02443	15.5
133.03000	0.5
134.31244	0.4
137.02437	5.9
138.03232	0.5
139.04002	2.8
149.02420	1.9
161.02434	0.7
164.01178	0.5
165.01945	1.7
167.03485	2.7
173.06026	0.4
175.04022	1.7
177.01923	13.0
177.05287	0.4
179.03436	1.8
187.04036	2.0
189.01990	2.6
195.04459	0.4
203.03497	0.6
205.01476	0.4
215.03473	0.4
219.02959	0.6
219.06673	1.0
221.04633	0.9
229.04980	0.7
231.02971	3.8
232.97696	2.1
243.03012	1.4
255.02977	3.5
256.03690	0.9
261.04123	0.7
269.04178	0.4
273.04153	1.3
274.98853	0.4
283.02368	1.8
285.00934	0.5
285.04010	0.6
297.04065	1.6
303.05057	1.6
305.06662	10.2
306.06903	0.6
315.05374	0.5
328.99954	0.4
343.01471	0.8
352.99713	0.9
365.03400	0.5
371.00757	4.3
372.98480	0.5
383.00894	1.1
395.00836	0.5
397.09311	0.5
413.02066	0.6
423.07230	13.3
424.07727	0.7
435.04547	0.5
437.01825	2.6
441.08279	10.1
442.08621	0.7
461.01923	0.9
469.00726	0.9
479.02963	19.4
480.03305	1.1
483.09439	1.5
493.00784	0.8
497.04318	1.5
521.04175	1.7
539.05255	1.5
609.12451	8.0
610.12933	0.7
647.07330	3.8
707.09650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03440	0.8
59.01378	100.0
60.01717	0.5
61.98825	0.5
65.52396	0.3
67.46889	0.3
70.06940	0.4
70.07262	0.5
71.01379	8.1
73.02948	4.3
73.06553	0.3
83.01371	1.7
85.02947	4.7
87.00902	0.4
89.02449	1.5
90.28771	0.3
90.72440	0.3
95.01414	0.9
96.96024	0.4
97.02930	0.4
98.22464	0.4
99.00881	1.8
101.02442	10.1
101.03090	0.5
113.02438	4.3
119.03546	0.4
121.02950	0.3
123.00876	0.5
124.01702	0.3
125.02449	4.7
134.70686	0.4
137.02516	0.3
138.06842	0.4
143.03539	0.6
147.04546	0.3
150.03276	0.4
151.04016	0.3
151.07657	0.4
152.08455	0.9
153.09241	2.5
159.03015	0.7
161.04527	4.5
164.07089	0.4
165.05647	0.6
167.03519	0.3
169.01418	6.9
177.01910	0.5
181.05083	0.3
193.96773	0.3
205.12386	1.1
206.08258	0.6
223.13474	1.0
234.19002	0.4
235.11864	17.9
236.12090	0.3
277.12933	11.9
277.15854	0.6
305.06827	0.4
321.12149	0.4
321.15594	1.1
385.18549	2.1
437.65808	0.3
457.07867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
58.02969	1.1
59.01374	0.3
69.03442	1.2
69.14144	0.4
69.14545	0.7
70.02957	0.4
72.00904	0.3
79.01917	0.3
81.03439	1.0
83.01391	0.5
91.05546	0.8
95.01386	0.3
95.05048	0.3
97.02934	0.9
105.03445	0.4
107.01385	0.4
109.02950	0.6
111.04515	0.2
121.02983	0.3
123.00876	0.6
124.01655	0.8
125.02444	51.5
126.02785	0.7
137.02449	1.8
139.04034	0.9
147.04526	1.8
149.02461	0.5
153.04181	0.2
161.02432	3.6
164.01155	0.3
164.07167	4.5
165.01923	1.1
166.99852	0.4
167.03496	1.5
169.01418	100.0
170.01759	1.8
177.05579	0.5
179.03516	0.9
193.01384	1.3
197.06099	0.2
199.03952	0.2
201.05476	0.3
205.01355	0.3
206.08202	5.4
219.06650	0.7
221.04565	0.3
229.01096	0.2
243.06604	0.2
261.07837	0.2
269.04431	0.9
286.31683	0.2
287.05566	1.7
305.06696	5.0
306.07062	0.2
319.04675	0.5
331.04623	1.3
457.07733	13.6
458.08084	0.6
538.51068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
58.02969	1.1
59.01374	0.3
69.03442	1.2
69.14144	0.4
69.14545	0.7
70.02957	0.4
72.00904	0.3
79.01917	0.3
81.03439	1.0
83.01391	0.5
91.05546	0.8
95.01386	0.3
95.05048	0.3
97.02934	0.9
105.03445	0.4
107.01385	0.4
109.02950	0.6
111.04515	0.2
121.02983	0.3
123.00876	0.6
124.01655	0.8
125.02444	51.5
126.02785	0.7
137.02449	1.8
139.04034	0.9
147.04526	1.8
149.02461	0.5
153.04181	0.2
161.02432	3.6
164.01155	0.3
164.07167	4.5
165.01923	1.1
166.99852	0.4
167.03496	1.5
169.01418	100.0
170.01759	1.8
177.05579	0.5
179.03516	0.9
193.01384	1.3
197.06099	0.2
199.03952	0.2
201.05476	0.3
205.01355	0.3
206.08202	5.4
219.06650	0.7
221.04565	0.3
229.01096	0.2
243.06604	0.2
261.07837	0.2
269.04431	0.9
286.31683	0.2
287.05566	1.7
305.06696	5.0
306.07062	0.2
319.04675	0.5
331.04623	1.3
457.07733	13.6
458.08084	0.6
538.51068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17625	0.9
51.96991	0.8
52.71907	0.7
54.26883	0.9
59.01377	3.5
61.98837	1.3
69.03449	1.0
69.28410	0.9
70.97522	1.0
71.01370	2.3
78.10361	0.9
89.02447	1.6
101.02437	1.9
149.28519	0.9
167.10744	2.9
179.10756	1.2
179.14380	3.0
195.13876	7.4
203.94107	0.9
205.12363	9.9
209.11674	1.1
211.13394	2.3
223.13380	100.0
224.13734	3.8
235.08199	1.4
253.09201	4.6
273.80954	1.0
339.86447	0.9
344.93555	0.9
429.26498	1.3
441.21255	3.8
459.22360	17.6
459.28668	1.1
460.23648	0.9
647.34247	3.0
665.35297	4.0
697.40747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68463	0.8
56.67104	0.8
59.01377	1.8
60.47821	0.8
60.99268	0.7
65.08158	0.7
69.93440	2.6
69.93788	0.9
71.01366	1.8
87.92499	0.8
88.70150	0.7
101.35406	0.8
104.16458	0.8
108.28641	0.9
114.94854	1.2
121.02912	1.3
123.00825	0.9
124.01655	1.5
125.02457	4.9
133.02960	1.1
136.01630	2.0
137.02440	1.2
138.03191	1.8
147.00961	0.9
149.02475	1.3
152.01163	0.9
161.02452	5.3
162.03198	3.5
163.00343	1.0
164.01151	6.2
165.01869	1.5
166.02666	1.4
172.95346	1.7
173.02440	1.0
175.03931	1.1
177.01920	6.6
178.02669	1.9
178.99864	2.3
179.95154	1.2
189.01930	2.2
189.28078	0.8
190.02722	7.7
190.99864	1.7
192.00636	100.0
193.01378	18.4
194.02190	11.2
195.94682	0.8
204.00545	0.8
205.01427	8.0
206.02164	6.9
207.02972	27.0
207.94592	4.0
208.00102	2.9
208.03342	1.2
217.01498	1.1
217.04774	1.2
219.02971	2.0
219.94423	0.9
220.00163	2.2
221.00887	3.8
222.01659	3.6
223.02486	2.1
233.00894	2.3
234.01672	30.2
234.97006	0.9
235.02112	2.3
235.94112	1.2
237.04037	2.2
246.01674	1.3
247.94029	2.4
248.03131	0.9
248.94907	2.1
249.04007	14.2
260.94998	1.0
261.03928	1.7
262.96429	14.6
263.93594	2.2
263.96622	1.0
264.94290	2.6
277.95157	1.1
278.95993	1.9
290.95825	1.1
291.93164	1.0
292.97513	3.3
294.03818	3.3
294.95468	2.3
302.96097	1.0
304.97531	1.1
305.94662	13.2
306.95358	2.7
309.06174	3.8
312.04880	4.4
320.96994	6.5
322.98752	1.2
323.13528	1.9
327.07184	14.9
335.95648	1.9
336.96252	1.9
347.95740	1.8
350.98004	4.8
380.99338	0.9
383.00720	1.6
384.98001	1.1
399.00140	10.9
423.07529	1.3
438.94211	1.0
440.95197	1.3
441.01202	24.3
444.00003	2.7
468.95163	0.9
574.00439	3.3
589.02899	36.0
590.02686	3.0
605.02411	1.6
631.03931	10.3
632.04010	1.6
643.03345	1.1
691.05945	6.2
694.04114	1.6
709.06976	37.0
710.07385	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	709.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25008	0.8
59.01376	8.1
60.08778	0.6
61.98821	1.9
71.01380	1.7
75.00861	1.1
85.02954	1.4
89.02399	0.8
94.38152	0.7
96.95969	1.0
98.22659	2.0
101.02445	1.9
111.00849	0.9
113.37976	0.8
121.02970	0.8
122.03719	2.0
122.31664	0.6
123.00917	0.8
123.04494	1.2
125.02455	3.8
133.05028	0.7
136.01619	1.7
137.78926	0.7
138.03246	0.7
149.02425	1.8
150.03212	10.7
151.03947	1.3
152.01163	0.7
161.02388	1.5
162.03210	1.1
164.01170	5.2
165.05537	9.4
167.03520	2.8
169.01503	1.3
177.01892	1.5
178.99864	2.2
190.02785	1.5
192.00636	100.0
193.01317	7.8
194.02190	2.6
195.06555	3.5
205.01442	1.7
206.02155	2.1
207.02968	54.2
208.03296	1.7
209.04550	1.5
222.01669	1.2
232.03699	0.9
234.01721	6.9
237.03949	0.9
249.03996	4.7
255.00314	0.7
269.06686	1.6
309.06128	5.8
363.11081	1.0
374.02457	0.7
477.10254	21.5
478.10760	1.2
665.26648	1.1
673.17688	20.5
674.17914	2.0
709.28284	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	709.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
59.01346	0.1
64.33723	0.1
69.03429	0.2
70.20310	0.1
70.20663	0.3
71.15543	0.1
76.00019	0.1
77.56530	0.1
78.01105	6.5
79.01460	0.1
83.04983	0.2
84.02162	0.2
84.99297	0.1
96.99277	0.4
101.71919	0.1
110.00069	0.2
111.00887	0.6
112.01679	0.1
123.00871	0.2
124.98771	1.0
125.99583	3.1
136.01645	0.2
137.72559	0.1
137.99582	1.6
139.00365	4.2
140.01184	1.1
140.98238	0.1
147.52100	0.1
152.01166	0.3
179.18047	0.6
193.15843	0.2
195.17532	3.1
197.19110	1.0
207.17477	0.4
209.19104	0.3
215.64426	0.1
219.17519	17.1
220.17802	0.9
223.17062	0.2
225.18529	0.6
227.20139	0.2
237.18619	0.8
251.16512	1.8
253.18040	0.7
263.16437	0.4
279.16000	10.3
280.16443	0.9
281.17554	100.0
282.17889	5.7
282.21036	0.3
295.15298	0.2
297.17075	0.2
303.15656	0.5
307.15491	2.3
308.15878	0.2
309.17010	0.6
325.16525	5.4
326.16891	0.2
335.14749	0.5
585.34052	4.0
586.34271	0.6
611.32001	1.1
612.32196	0.2
673.32550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	75.0
62.13351	43.3
65.48226	41.1
78.95897	62.3
115.48193	37.7
119.68999	42.4
124.89167	36.7
125.02422	57.2
179.16931	39.1
211.13402	100.0
358.56372	40.6
395.48282	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57378	1.0
59.01376	9.9
61.98824	1.9
62.30847	1.1
71.01366	6.2
71.45567	1.3
71.85669	1.2
73.02938	2.1
78.95911	2.8
83.01823	1.1
87.00834	1.3
89.02425	3.0
97.06584	3.5
101.02445	3.5
113.02447	1.5
127.43165	1.2
147.44559	1.2
151.11313	15.2
152.99570	5.0
169.12337	100.0
170.12686	4.5
171.10216	3.2
190.91768	1.3
195.10172	3.0
201.11288	3.7
209.11790	3.6
213.11327	11.5
230.76376	1.1
235.08350	1.8
253.09273	2.8
277.21735	26.8
278.21841	1.9
333.88638	1.2
431.19208	3.3
449.20193	7.9
473.17719	2.7
560.28680	1.2
708.84351	1.3
709.41565	98.2
710.42029	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
57.31757	1.2
59.01384	13.8
61.98824	2.1
67.06699	1.0
69.38264	5.8
70.76382	1.0
71.01382	5.8
73.02948	2.3
75.53344	1.0
78.95911	4.1
80.78764	0.9
81.32684	1.2
83.05012	2.0
85.00456	1.3
85.02934	2.1
87.00881	2.2
89.02447	2.7
91.30516	1.0
95.05021	2.2
97.06612	7.7
98.22586	2.7
101.02448	6.1
103.01483	2.2
113.02482	2.7
119.03464	1.0
126.03881	1.2
128.12859	1.0
145.05058	1.4
151.11299	25.4
152.99568	4.7
161.04559	2.3
169.12344	66.5
170.12704	1.9
171.10284	5.7
176.84689	1.3
195.10258	3.3
201.11319	3.4
209.11815	4.9
213.11342	7.0
235.08194	1.7
253.09312	4.7
277.21729	71.0
278.22083	3.6
379.27820	1.1
431.18936	2.7
449.20105	2.6
473.17838	2.4
516.96991	1.1
603.56165	1.5
691.39349	1.4
709.41577	100.0
710.42084	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81289	1.1
59.01377	2.7
71.01366	1.6
71.12584	1.3
89.71938	1.3
91.22073	1.1
101.02472	1.8
104.53555	1.4
127.99203	1.2
139.72205	1.2
171.10269	82.7
235.08243	5.2
253.09331	7.0
277.21722	100.0
278.22046	6.0
407.19312	2.1
513.30804	1.3
617.42755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61121	1.2
59.01368	2.2
87.40766	1.3
89.02447	2.5
113.02444	1.6
127.11304	1.6
171.10265	100.0
172.10658	2.7
178.97441	1.4
193.07179	1.6
235.08266	2.4
247.99841	1.3
253.09253	7.5
277.18695	3.2
277.21732	61.3
278.22092	3.1
290.47137	1.3
344.24979	1.3
407.19128	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	711.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03444	0.4
59.01379	100.0
60.01730	0.3
69.68020	0.5
71.01382	2.4
73.02947	1.6
75.26880	0.2
75.32955	0.2
83.01412	0.6
85.02945	1.7
87.00848	0.2
93.51800	0.2
95.01395	0.3
99.00898	0.4
101.02442	2.8
113.02453	1.4
125.02478	0.8
159.03075	0.3
161.04552	1.7
165.49756	0.2
167.03503	0.3
169.01457	0.6
174.56400	0.2
182.82515	0.2
183.10170	0.2
251.09268	0.3
269.10281	3.7
311.11346	5.3
312.11911	0.3
335.39377	0.2
724.66315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.9
67.21646	8.6
69.19958	9.7
69.34888	39.6
71.01384	10.6
71.35503	10.3
76.83488	8.0
125.02435	18.6
139.68034	8.4
164.14746	8.4
239.66411	9.9
267.04410	8.3
277.21774	45.0
293.17609	12.6
397.13571	100.0
408.88095	9.3
415.14490	28.7
711.33795	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28086	0.2
56.20261	0.2
56.60514	0.2
57.03431	0.9
58.18140	0.2
59.01358	0.9
65.00309	1.2
69.45529	0.9
81.03449	8.7
83.01385	1.9
98.21796	0.2
102.25946	0.2
107.01398	1.2
109.64203	0.2
114.88765	0.2
122.03738	1.2
122.98660	0.2
123.04537	0.3
124.01646	0.3
125.02431	3.6
151.00337	2.0
152.01158	0.4
162.03197	0.4
225.18546	0.6
226.51930	0.2
247.20667	2.1
249.18546	4.9
265.21616	0.2
271.20749	0.3
289.21704	15.7
290.21988	0.8
315.19604	0.6
320.19882	1.1
323.71582	0.2
333.20679	100.0
334.21051	7.2
377.23212	0.8
377.44302	0.2
483.22675	0.2
523.77527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
85.72225	0.6
87.00829	0.6
91.48710	0.6
109.02898	1.3
109.06587	3.0
121.92915	0.6
122.03722	1.1
124.01682	6.8
125.02478	4.3
133.06540	0.6
137.02446	6.8
137.06067	1.7
138.03226	12.9
150.03204	2.6
151.07629	1.9
152.01141	1.7
153.01959	0.7
161.06075	5.0
163.04025	3.2
164.01158	0.6
164.04759	1.8
177.05644	0.9
178.06332	1.1
179.07129	100.0
180.07478	2.2
192.00620	4.2
194.02252	0.9
205.05066	0.8
207.02917	2.0
215.99002	0.7
223.06102	51.0
224.06528	1.2
234.01703	1.0
241.05042	0.8
271.09659	1.1
305.06799	1.9
327.07211	2.2
385.11377	67.2
386.11929	3.4
407.13452	1.5
499.93851	0.6
558.98230	0.6
593.02869	0.8
638.37366	0.6
645.11749	0.8
700.83325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01379	17.4
65.01791	0.6
68.99808	2.2
69.03446	1.1
71.01378	12.0
72.99313	3.0
73.02948	1.9
75.00865	10.3
77.46583	0.6
79.98873	0.6
81.03453	1.0
83.01379	1.0
83.05000	1.0
85.02948	12.5
87.00864	4.1
89.02435	6.4
93.03465	6.0
93.90567	0.7
95.01402	3.9
99.00879	6.7
101.02450	2.6
103.00340	1.0
103.05555	1.1
107.05068	0.9
111.00891	1.7
111.04530	0.9
113.02441	15.0
115.00394	1.3
117.01940	1.7
119.03529	1.3
121.02956	1.2
122.03724	1.0
123.00910	1.3
123.04546	1.2
125.02458	5.8
135.04483	0.6
136.05301	0.7
137.02438	14.0
137.06062	0.8
138.03241	4.0
147.04515	1.8
149.06091	1.5
151.04004	25.5
151.05238	1.4
153.05544	1.0
161.02451	1.2
161.04605	1.0
161.06061	1.3
162.03201	0.9
162.06868	2.5
163.07626	9.9
165.05498	0.8
167.03488	0.9
169.01408	1.1
173.29793	0.6
175.02403	1.8
175.03854	1.2
177.01886	3.2
177.09195	13.6
179.05571	1.2
180.07867	0.9
189.04005	1.5
189.05550	1.4
191.03487	17.9
193.05051	2.6
193.08707	1.0
195.10207	1.6
217.04948	0.6
221.04570	0.8
221.08121	6.3
224.06795	1.2
231.05037	4.2
233.04497	2.0
239.09230	21.4
239.19260	0.6
243.02798	0.8
249.06137	32.7
250.06287	0.8
287.05576	1.1
299.45990	0.6
311.07700	6.4
344.12527	1.2
359.14996	2.5
383.09915	1.1
401.10785	100.0
401.14600	17.3
402.10938	6.0
423.07272	1.2
491.19165	5.3
673.15161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91056	0.4
56.21697	0.4
57.03439	1.5
59.01378	4.4
65.15802	0.4
68.20535	0.4
69.20383	0.9
69.20783	1.6
71.01379	6.1
72.99307	1.0
73.02936	0.7
75.54295	0.4
77.59496	0.4
83.01385	0.9
85.02943	0.4
89.02453	2.2
95.05024	0.6
96.96049	0.5
101.02419	1.0
105.03490	0.5
108.02165	1.9
109.02942	7.8
109.06575	0.9
113.02436	1.1
119.03486	1.2
121.02950	1.1
122.03748	0.9
123.00837	0.4
123.04490	0.9
124.01662	1.0
125.02444	14.5
125.06087	0.8
125.09735	1.0
127.11273	0.6
137.02449	1.3
137.09726	1.1
153.01936	21.0
153.09192	0.4
155.10789	1.1
161.02461	4.5
161.04480	0.4
163.11249	0.8
165.01967	0.8
166.39737	0.4
167.03505	1.4
169.01436	0.5
171.10268	4.7
177.01891	1.2
177.05667	0.6
179.05618	1.3
181.08714	0.6
181.12370	0.8
189.09193	0.5
191.10776	7.6
199.07906	0.9
199.09756	17.8
207.10300	3.7
209.11839	0.8
213.11191	0.4
217.08681	0.7
225.11328	3.3
227.09482	0.5
235.09743	5.4
243.03130	0.5
245.04462	0.5
252.90648	0.4
253.10779	6.4
263.05853	0.6
269.04520	0.8
271.11862	100.0
272.12198	2.4
274.12122	0.4
285.04208	0.4
287.05624	3.3
305.06683	2.3
371.15338	0.4
441.08356	3.9
551.21356	3.3
691.08350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
69.30713	1.4
69.31116	2.2
70.71152	0.6
71.01371	1.7
73.37103	0.6
85.01982	0.6
85.02919	0.9
86.35396	0.5
89.02412	2.1
99.65018	0.5
101.02421	1.8
107.05020	0.7
109.02931	1.0
113.02454	0.9
118.95818	0.5
119.03499	0.8
121.06586	0.7
122.03781	1.0
123.00878	0.6
123.04484	0.9
124.01671	1.6
125.02398	1.9
127.41978	0.6
129.16063	0.5
131.03473	0.5
135.04529	1.3
136.05273	2.4
136.74835	0.6
137.02422	1.2
137.06068	1.2
138.03226	12.0
148.05222	0.7
149.05975	0.6
149.09691	2.5
151.03943	1.4
152.04755	1.1
157.40802	0.6
161.06044	0.8
162.06914	3.2
163.07645	9.4
165.05553	1.5
165.09189	1.1
167.10719	1.6
169.01392	0.8
175.07625	1.7
177.01979	1.2
177.09198	39.2
178.09550	1.4
179.05580	1.2
179.07115	0.9
180.07944	1.9
188.04634	0.6
191.03436	2.1
193.08728	4.9
194.09236	0.8
195.10257	9.8
211.09732	1.0
217.35583	0.6
221.08183	21.1
224.06932	1.0
224.95781	0.6
238.08434	2.5
239.09235	88.6
240.09595	4.4
249.06114	0.8
306.74478	0.7
311.07864	0.6
401.14539	100.0
402.14777	5.8
402.75519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63382	0.3
55.01861	0.4
55.88701	0.2
57.03408	0.3
59.01373	1.9
71.01371	2.6
71.43752	0.2
73.02921	1.0
75.00855	0.4
79.05497	0.3
83.01376	0.6
84.90176	0.2
85.02947	1.7
89.02425	0.6
89.25258	0.3
91.05504	1.1
93.03438	0.3
96.19652	0.3
97.02970	0.3
99.00831	0.4
101.02455	2.3
103.05539	5.8
105.03452	0.6
105.07095	1.4
109.02953	0.5
113.02435	1.5
117.07008	0.5
119.05003	0.5
121.06577	0.3
121.73481	0.3
123.04546	1.6
125.02469	1.5
129.07140	0.3
130.04222	0.6
131.04984	0.4
133.06564	1.0
135.04536	1.5
137.02414	1.2
137.06030	1.3
138.03172	0.5
143.05130	0.4
145.06561	1.2
146.03716	0.8
147.04524	8.4
149.02345	0.3
149.06067	5.1
151.03963	0.6
153.05542	0.6
157.06654	0.4
159.03001	0.4
159.04478	1.0
160.05264	1.3
161.04552	1.9
161.06058	3.5
162.03221	2.6
162.06612	0.3
163.04007	3.7
163.07655	0.5
165.05553	3.2
167.03500	0.6
169.01413	0.6
174.03210	0.4
175.04002	1.5
177.01901	1.0
177.05545	1.1
179.03383	0.3
189.05565	4.7
190.02768	0.4
191.03488	100.0
192.03831	2.8
193.03278	0.5
193.05045	10.0
195.25867	0.3
204.45634	0.3
205.05052	1.8
209.04430	0.4
219.06639	0.3
221.04523	3.0
233.04539	10.8
234.04839	0.4
249.06133	0.8
269.10251	3.9
289.06943	0.5
293.06650	0.7
296.60605	0.3
311.07727	45.4
312.07999	1.9
359.15378	0.4
401.10773	1.3
401.14914	6.9
402.14874	0.5
491.19446	0.9
593.61542	0.3
722.77515	0.3
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
50.93808	3.5
55.89706	3.5
59.01374	26.4
61.98832	24.7
67.50037	3.6
69.08828	9.4
69.09237	15.7
71.01358	13.0
73.02938	6.1
77.23955	3.5
85.02936	4.1
87.00878	5.3
89.02458	17.3
101.02420	12.0
113.02378	4.7
116.46051	3.5
116.92834	4.1
116.97268	23.4
119.03432	5.6
144.04478	5.1
150.38112	4.0
179.05614	5.3
203.05847	5.5
235.08109	4.6
274.56442	4.1
279.23285	53.9
316.92325	4.2
343.13019	12.3
378.34976	3.9
397.13516	100.0
398.13980	4.4
415.14548	24.2
445.14752	3.8
486.36942	4.5
677.37531	12.9
713.35327	64.3
714.35370	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	713.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83850	0.3
69.61728	0.5
69.62112	0.6
83.04970	0.4
90.46451	0.3
93.43454	0.3
96.25050	0.3
125.02441	0.3
127.46873	0.3
205.39676	0.3
210.45146	0.3
225.16182	0.3
250.09740	0.3
357.29684	0.3
578.79633	0.3
677.49585	2.2
713.47327	100.0
714.47620	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	715.1307
Annotation	Theaflavin 3-O-gallate
Peak:m/z	Relative Intensity
57.03441	11.1
59.01378	3.8
61.98828	2.1
67.01871	1.3
69.25800	4.1
69.26189	2.8
71.01386	3.3
81.03461	2.5
83.01389	6.3
85.02937	2.0
93.03449	2.0
95.01392	1.7
95.05024	2.5
96.73913	1.4
96.95988	5.9
97.02950	2.9
107.01360	2.3
108.02160	1.9
108.45655	1.5
109.02923	3.0
111.04472	1.4
121.02959	1.8
123.00880	4.3
124.01669	2.5
125.02448	100.0
137.02446	17.8
139.04034	1.8
151.04012	5.0
153.01923	1.6
157.06543	1.8
161.02425	1.8
163.00406	2.2
164.01118	4.1
165.01920	9.0
167.03511	9.2
169.01424	36.8
170.01653	1.6
175.04002	1.8
177.01924	2.2
179.03467	1.9
181.05070	2.6
185.06116	2.4
189.05525	2.1
195.06525	1.4
197.06087	3.8
199.04065	1.9
211.04082	1.9
212.04733	1.9
213.05556	7.8
215.03523	3.4
217.05025	3.7
225.05531	10.8
229.05029	4.2
231.06589	2.7
235.04028	4.3
237.05614	1.7
240.04265	2.2
241.05043	26.7
249.05615	2.4
251.07106	1.8
252.04129	3.0
253.05016	13.7
253.09041	1.5
259.06021	1.7
263.03503	3.7
263.07004	3.8
265.04910	8.6
269.04562	15.7
269.07269	2.1
275.07086	4.1
277.05026	3.7
278.05899	2.9
279.06592	6.0
281.04575	12.6
289.08560	2.5
291.06668	4.5
292.07550	1.6
293.04578	2.7
293.08157	4.2
295.06015	1.9
302.05902	3.1
303.06659	9.0
305.08179	2.6
309.08008	1.7
317.08127	4.3
318.05420	2.0
319.06110	3.7
320.06741	2.5
321.07614	19.0
322.07916	2.4
323.05414	1.9
327.06693	2.1
331.06024	3.1
333.07629	5.2
335.09464	2.7
345.07568	8.3
357.07709	4.8
361.07089	4.1
363.08676	6.0
365.06482	3.3
371.05325	2.4
373.07114	1.9
375.08704	4.5
377.82764	1.7
379.08850	1.6
389.06476	11.0
401.06491	3.8
407.07727	7.9
419.07639	8.2
425.08704	4.8
459.10889	8.1
483.10992	4.7
501.12018	5.5
515.28308	2.3
527.09839	13.0
545.10901	19.8
563.11890	25.9
564.11853	1.5
577.09930	9.4
599.21722	1.7
714.33484	1.8
715.12817	34.5
715.23621	3.4
715.32910	3.2
716.13556	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	715.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.3
57.03683	2.5
59.01376	26.7
61.98813	3.2
69.25014	11.6
71.01380	9.3
72.99274	3.4
75.00881	4.3
81.03437	4.0
83.01402	13.2
83.05077	2.7
85.02945	9.4
89.02414	3.1
96.96016	5.3
97.02945	4.3
98.21796	2.9
99.00895	4.3
99.04531	3.3
106.56470	2.8
107.01423	2.9
109.02961	5.5
109.45710	2.6
113.02434	10.8
123.00895	4.0
123.04536	4.3
124.01635	4.0
125.02443	100.0
135.08093	3.3
137.01422	4.0
137.02446	51.0
137.09705	6.9
149.02441	4.5
151.03969	4.8
153.01959	3.4
161.02394	4.8
165.01871	9.2
167.03534	17.2
169.01422	56.6
177.01933	4.2
179.10687	3.7
181.05107	4.2
181.08690	6.1
189.05336	3.7
197.05991	6.1
199.51434	3.6
211.03918	6.7
212.04550	3.6
213.05530	9.2
214.74884	2.8
225.05507	16.2
227.03635	3.8
229.05054	4.3
239.03539	5.5
241.05040	54.6
249.05899	6.1
251.03496	6.7
251.07126	2.9
253.04984	14.3
257.04529	7.6
261.05487	3.1
263.07236	4.1
265.05017	5.5
269.04550	27.0
277.04956	3.3
279.06680	5.3
281.04446	9.2
289.31238	2.8
291.06631	3.5
293.07773	3.7
293.75223	2.6
321.07791	4.3
331.05563	4.6
333.07574	7.7
345.07828	5.5
359.05609	3.5
361.07309	4.4
363.08728	8.5
373.07324	3.5
377.06570	12.1
379.08377	3.5
389.06491	7.5
401.06375	5.4
407.07718	43.4
419.07727	10.2
425.08682	4.8
456.11441	3.0
527.09821	6.2
545.11145	23.3
563.12000	19.2
577.09784	6.6
715.13086	19.0
715.28174	85.1
715.46655	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	715.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34923	0.8
59.01115	0.9
59.01384	12.1
65.74065	0.8
70.46521	1.6
71.01387	2.8
73.02947	0.8
76.80235	0.7
76.94609	0.8
95.01383	1.4
101.02428	1.1
121.02957	1.9
123.00860	9.0
124.01658	99.5
137.02525	0.9
138.03226	3.7
139.00352	2.8
139.04007	100.0
140.04314	1.3
149.02460	1.2
153.01926	3.2
154.02698	2.6
168.04356	1.9
169.05089	2.0
177.01907	4.9
179.03488	1.5
180.49600	0.8
181.05049	2.4
192.00655	4.0
193.01442	1.4
194.02231	1.3
196.08873	0.9
203.05573	5.5
207.03033	2.0
209.69286	1.0
223.06068	1.5
234.01740	1.6
283.08176	4.3
297.06039	2.1
311.20822	1.1
312.04462	1.0
327.07242	4.6
343.10254	9.1
591.72705	1.1
678.20013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.9
59.01361	5.0
61.98825	3.8
71.01359	4.2
71.45253	1.6
85.02967	1.8
88.98808	6.8
89.02438	3.8
95.01399	1.6
101.02438	2.1
107.01398	2.9
109.02987	2.6
111.00891	2.5
123.00883	4.7
124.01665	12.9
125.02449	49.9
126.02800	2.2
136.98788	1.7
137.02396	3.3
138.03220	5.0
139.00415	3.8
139.03972	2.4
140.01138	3.2
149.09775	2.2
151.00310	3.0
151.04050	4.0
153.01945	2.3
161.02579	1.9
165.05551	3.6
167.03487	7.4
168.00674	10.8
169.01424	50.8
170.01701	2.7
177.01921	8.6
177.09233	24.2
178.02380	3.0
178.09569	2.1
193.05061	4.6
193.08669	6.1
194.09515	2.0
195.10263	4.8
211.02448	14.8
219.02664	2.3
221.08195	15.0
225.07779	2.2
237.07620	2.6
238.08441	30.6
239.09233	54.8
240.09579	3.1
243.02908	3.6
267.10760	1.9
271.04584	32.2
281.06332	2.2
297.05899	2.1
303.05148	2.3
313.05606	7.7
401.14539	7.7
553.15601	44.6
554.15735	3.6
715.20917	100.0
716.20660	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	715.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06911	2.5
59.01366	11.3
61.98814	10.1
71.01370	13.3
71.44246	3.0
71.44629	3.0
87.00870	3.7
89.02444	11.7
101.02414	9.1
113.02436	4.5
119.03474	4.0
125.02429	6.3
126.24741	2.5
138.50958	2.5
179.05447	3.2
235.08162	5.6
281.24866	36.6
282.25189	3.7
327.02264	2.7
361.28003	3.3
397.13458	100.0
398.13748	5.5
415.14557	24.0
679.39270	11.5
715.36755	69.9
716.37085	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	715.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04139	12.5
61.98815	13.3
71.42989	12.8
78.09368	11.4
84.60590	12.6
89.02467	23.0
89.80727	11.7
91.74825	12.2
96.03123	12.2
96.96051	12.8
121.41888	12.4
125.02455	19.3
228.94771	15.1
281.24893	40.5
297.39227	14.5
314.93353	13.0
397.13541	100.0
410.52448	12.9
415.14468	26.6
429.92838	14.6
522.57489	12.5
539.76721	13.0
583.45758	13.0
679.40100	21.8
715.36426	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02446	1.0
59.01367	4.1
61.98827	100.0
62.31730	1.0
65.09259	0.8
66.29984	0.9
69.52400	4.3
71.01380	28.8
75.03852	0.8
76.97408	1.0
81.17547	1.0
83.05016	1.7
85.02946	1.4
89.02437	1.3
97.02974	2.1
98.21861	1.5
101.02447	2.6
109.06595	4.8
110.03746	1.2
161.04506	1.3
163.11310	3.3
171.10315	5.5
178.19373	0.9
181.12312	1.7
183.13884	4.2
193.12323	1.4
199.09828	1.4
199.13419	2.3
201.11348	3.1
207.10236	15.3
209.11833	11.8
211.13387	42.5
212.13687	1.9
225.11288	12.7
227.12854	9.4
235.08247	2.6
243.12463	1.6
253.09267	5.7
326.74655	1.0
339.22989	1.0
375.35211	1.0
383.22067	2.1
391.24817	1.6
401.23245	4.2
419.24243	3.4
443.19086	1.7
447.22403	2.0
461.20181	4.0
466.77463	0.9
477.04999	1.0
637.32422	6.6
638.31152	1.0
655.33105	6.0
656.33948	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	716.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57914	0.6
57.87441	0.6
59.01371	4.4
61.98825	5.7
65.73139	0.6
66.10010	0.5
69.78351	1.7
69.78702	1.1
71.01378	21.0
71.34788	0.6
73.02938	1.3
83.05025	0.9
85.02971	1.6
87.00871	1.3
89.02452	1.8
97.02943	1.1
101.02424	2.6
103.23122	0.6
109.06597	4.2
113.02369	1.6
125.02357	0.7
125.09692	0.6
127.04937	0.7
145.05150	0.7
161.04524	1.8
163.11284	2.8
167.14397	0.7
171.10266	3.7
173.38263	0.6
181.12344	1.0
183.13881	5.7
185.11758	0.8
193.12370	1.9
199.09743	6.6
199.13405	2.2
201.11292	0.9
207.10246	11.8
209.11839	8.4
210.12154	0.9
211.13382	100.0
212.13704	2.9
215.12892	0.7
225.11298	8.4
227.12857	7.3
235.08258	4.9
253.09274	6.9
332.92691	0.8
373.24155	1.4
375.21594	0.8
383.22189	1.8
391.24655	1.1
401.23315	4.3
419.24356	1.8
429.21219	1.2
447.22253	10.7
461.20328	3.4
609.32196	0.8
611.30420	1.0
623.34332	2.6
637.32544	4.4
641.35223	1.5
655.33453	5.8
656.34351	1.4
710.60376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01226	0.2
59.01377	0.7
61.98827	100.0
64.20317	0.2
69.81881	0.5
71.01382	0.2
73.83025	0.2
78.95900	0.2
83.13226	0.2
89.02473	0.2
101.02459	0.2
127.70316	0.2
211.13460	0.4
255.23297	0.3
257.23773	0.2
398.13785	0.4
399.14120	0.6
417.16058	0.2
425.98816	0.2
435.63156	0.2
459.37741	0.2
464.05011	0.2
480.24677	0.2
733.17383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98818	1.5
71.01376	4.7
73.02941	0.4
73.67873	0.3
85.02935	0.5
89.02444	1.1
90.25468	0.3
101.02447	1.6
109.06591	0.9
113.02441	1.1
147.12218	0.4
161.04564	0.6
163.11276	0.6
165.12767	0.3
167.14441	0.6
171.10229	0.5
181.12349	0.5
183.13908	5.3
193.12302	0.9
199.09782	1.4
199.13438	0.3
207.10229	2.8
209.11761	1.7
211.13385	100.0
212.13733	3.8
225.11351	1.3
227.12930	1.3
235.08200	2.3
247.70709	0.3
253.09300	3.7
269.70395	0.3
281.79880	0.3
321.01556	0.3
334.42786	0.3
357.12808	0.3
401.23257	0.9
405.26450	0.4
429.21326	2.4
435.18286	0.4
447.22336	11.1
448.22849	0.8
461.20407	0.6
462.54718	0.4
512.15540	0.3
623.34271	3.4
624.35040	0.4
637.32294	0.9
641.35364	2.9
655.32965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37784	0.1
57.13669	0.1
59.01376	0.1
59.99505	0.1
67.12927	0.1
69.07558	0.5
69.07983	0.4
79.66324	0.1
79.95728	1.7
92.10886	0.1
96.38750	0.1
96.96012	100.0
97.95953	0.2
98.21863	0.3
98.95586	0.3
99.70494	0.1
123.04521	0.2
125.02440	1.1
149.02480	0.2
149.06065	0.1
166.47734	0.1
167.03497	0.3
169.01414	0.6
171.81725	0.2
177.01889	0.5
259.02798	44.6
260.03091	1.3
261.04404	0.4
268.04044	0.1
285.03973	0.2
303.05261	0.2
631.03448	0.1
688.43524	0.1
717.29266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.9
59.01384	0.5
59.49600	0.2
69.43649	0.2
70.26115	0.2
71.01379	0.6
71.45241	0.4
81.03461	1.4
83.01369	1.3
88.48206	0.3
93.03468	0.4
95.05034	0.9
96.96008	7.1
97.06617	0.5
105.03472	2.0
108.02178	1.0
109.02951	43.3
110.03303	0.8
111.04601	0.3
121.02962	0.7
121.52993	0.3
123.00897	0.4
123.04508	0.6
125.02447	60.1
126.02782	1.1
127.07640	0.4
133.02992	0.6
137.02443	3.7
137.09721	0.8
139.03995	0.9
146.17572	0.3
146.51338	0.3
149.02429	0.7
151.03975	0.3
153.01935	100.0
154.02255	2.0
157.47906	0.2
160.01659	0.3
161.02444	26.5
162.02960	0.9
165.01913	1.9
167.03497	2.1
169.01437	0.5
175.03995	0.7
177.02003	0.8
177.05595	2.2
179.03519	0.9
183.04561	0.3
193.67606	0.3
201.05650	0.7
203.03572	0.3
214.98204	0.3
219.06621	1.7
225.05659	0.7
227.03447	0.7
229.01376	0.5
243.06499	0.5
243.08723	4.3
256.24341	0.3
261.04309	3.2
261.07211	0.5
269.04507	3.5
275.05762	0.5
275.11359	2.9
276.27737	0.3
287.05597	18.1
288.05887	0.9
303.05164	0.3
305.03534	0.5
305.06689	7.1
306.07159	0.5
441.08249	14.8
442.08731	1.2
456.08011	0.3
507.20865	0.4
626.40869	0.3
717.30695	0.7
742.90387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18467	1.1
57.03448	1.2
59.01377	9.6
61.98808	4.5
67.89568	1.1
71.01374	3.1
73.02922	2.0
81.03453	1.3
83.01373	1.2
83.05022	3.6
85.02943	1.5
87.00845	1.1
89.02444	2.6
90.98587	2.9
96.95986	2.0
101.02442	4.3
113.02431	3.7
125.02440	5.5
135.08159	3.3
147.52100	1.0
153.01927	1.3
161.04549	2.2
163.11287	1.3
165.12869	1.6
167.03453	2.1
169.01414	3.8
171.10281	2.3
179.05669	1.4
183.13911	5.6
193.12379	1.5
207.13902	1.2
209.11829	68.1
210.12238	1.6
211.13390	100.0
212.13654	2.7
222.74271	1.2
227.12892	11.5
235.08156	3.7
249.14960	1.7
253.09325	7.9
311.72675	1.2
353.06604	1.2
403.24643	1.3
445.20526	2.4
447.22488	10.5
621.32928	2.2
639.33533	2.9
729.56598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.9
61.98832	65.2
71.01369	17.7
89.02457	16.2
98.40038	6.7
101.02458	12.5
151.04286	6.5
159.10217	7.7
171.10252	16.7
176.59613	4.9
177.28273	5.4
179.05562	5.3
180.41780	5.2
235.08247	7.7
255.23305	53.0
283.26413	35.9
397.13504	100.0
398.12915	5.6
415.14569	23.6
504.26523	5.9
544.43597	7.6
681.40619	21.3
717.38318	91.0
743.80573	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	717.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00233	0.4
59.01378	0.8
61.55813	0.4
61.98821	1.1
72.06552	0.4
80.27286	0.3
95.01376	1.3
96.02161	2.7
96.96014	0.7
104.27946	0.4
115.30703	0.3
121.52253	0.3
123.00876	1.8
124.01656	6.2
148.55737	0.4
151.00398	0.6
152.01140	5.8
165.01863	0.4
166.02673	1.4
167.14340	0.4
184.00006	0.6
188.63181	0.4
204.27527	0.4
237.14941	4.7
238.27228	0.4
245.26848	0.5
265.14423	100.0
266.14767	4.1
281.24963	0.6
397.13782	1.0
584.80603	0.5
664.29895	0.5
717.36792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94284	0.1
59.01371	0.6
61.98827	100.0
62.98539	0.2
64.24422	0.1
66.39001	0.1
70.99062	0.2
70.99416	0.2
71.01388	0.3
74.19632	0.1
101.02467	0.3
109.52905	0.2
114.77581	0.1
131.47252	0.1
163.11310	0.2
171.10326	0.5
185.11986	0.4
197.11848	2.4
207.10394	0.2
209.11806	2.6
210.12361	0.2
211.13419	1.0
227.12898	0.7
235.08220	0.2
253.09335	0.3
445.20966	0.2
623.35144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.2
61.98824	9.1
70.01714	11.1
70.02044	6.3
71.01384	18.7
89.02451	16.1
101.02430	17.2
102.96140	4.7
113.02477	7.7
125.02452	13.6
137.02505	4.6
235.08234	7.9
277.21677	55.7
307.20972	5.1
390.05972	5.1
397.13519	100.0
397.18347	3.3
415.14349	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	718.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12388	2.2
59.01376	41.2
61.98841	8.8
71.01380	23.9
82.59823	2.3
83.01360	3.1
85.02967	3.2
87.00877	5.8
89.02446	27.5
93.25346	2.1
97.02936	4.0
101.02446	21.5
113.02454	10.0
117.51128	2.2
119.03513	5.7
125.02433	13.4
133.89812	2.6
143.03450	3.8
161.04631	5.7
166.33032	2.6
167.03465	3.4
177.01880	3.6
179.05557	3.3
186.07674	2.5
192.82594	2.8
216.10703	2.3
235.08220	10.9
277.21716	69.6
277.24640	4.5
278.22287	3.6
305.08804	4.5
397.13449	100.0
398.13666	2.9
415.14517	36.1
419.60196	2.4
435.09622	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	719.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47920	0.8
59.01378	4.7
62.30244	1.2
71.01389	4.5
87.00880	2.1
89.02448	8.5
98.22700	2.0
101.02441	2.0
105.87823	1.0
113.02416	2.0
119.03483	3.0
173.51685	1.0
179.05597	4.5
184.60773	1.1
215.03255	5.0
229.17476	1.0
259.43066	1.0
338.03333	1.1
341.10837	18.8
342.11304	1.3
362.64337	1.3
376.84079	1.3
377.08527	100.0
378.08777	4.9
610.87079	1.3
748.42474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.3
62.70366	0.6
63.38289	0.6
71.01382	6.0
71.87306	0.6
87.00863	1.1
87.94717	0.6
89.02438	7.8
101.02428	3.1
108.02280	0.6
113.02461	3.2
119.03497	2.8
125.02456	1.1
137.60300	0.6
140.92358	0.7
143.03560	1.2
161.04575	1.4
162.46724	0.6
164.14613	0.7
179.05678	3.7
197.04517	1.4
215.03255	4.3
341.10843	20.6
377.08521	100.0
378.08939	2.9
742.46893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36555	0.7
53.47384	0.8
55.86092	0.6
57.03438	4.9
58.48246	0.8
59.01375	100.0
69.03447	0.9
69.45796	3.3
71.01379	21.2
72.99341	0.7
73.02940	34.8
74.02479	2.7
75.00411	0.7
75.00864	1.1
76.81747	0.7
83.01380	10.3
85.02943	5.3
87.00857	5.8
89.02447	8.0
93.03486	0.9
95.01386	1.5
96.96006	3.6
97.02970	1.4
98.02499	0.7
98.22599	0.7
99.00912	1.5
99.04538	2.7
101.02439	32.4
102.02854	0.7
111.00896	1.0
113.02444	11.2
116.05128	1.3
119.03503	6.2
121.23942	0.7
123.04597	1.0
123.08184	1.4
125.02460	4.6
131.03510	2.1
137.09724	1.8
138.01978	1.5
143.03470	5.5
149.04523	3.8
150.06891	1.6
153.09261	3.7
155.03537	1.1
159.02974	1.0
161.04561	12.2
163.11244	0.8
165.09204	40.8
167.03571	1.0
169.01436	0.9
171.08116	0.8
175.07660	1.1
177.01981	0.9
187.11363	2.0
189.09200	5.7
190.09976	0.9
203.05603	4.6
203.08310	2.2
203.10936	0.8
204.11555	1.7
205.12325	9.5
221.06726	2.5
221.11720	3.8
223.13332	4.5
245.09320	7.6
295.15353	1.0
303.10867	1.4
367.17554	8.9
385.18570	7.1
409.18878	2.7
427.19696	43.4
428.20294	1.2
469.20837	3.0
529.22925	2.0
571.23804	7.7
589.25287	1.8
631.26428	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	719.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
57.03421	1.2
59.01378	39.2
61.98830	16.9
69.03446	0.7
69.67216	2.5
71.01382	9.2
71.31905	0.6
72.99307	3.6
73.02926	1.9
73.69505	0.6
75.00875	6.3
80.96500	2.2
81.03438	0.8
82.95399	1.1
83.01392	1.1
83.04998	2.0
85.02950	9.2
87.00878	3.6
89.02428	2.4
95.01359	2.7
95.05005	0.8
97.06555	0.6
98.21938	1.3
99.00876	7.3
101.02419	2.9
103.00357	0.8
104.18989	0.6
113.02438	7.7
115.00352	2.3
117.01878	0.6
125.02428	1.4
129.01920	1.2
133.10475	0.6
137.09651	1.0
139.11282	16.1
151.11253	0.9
161.09769	1.1
163.11270	3.5
165.09108	0.7
169.12318	10.5
171.10237	2.8
171.58495	0.6
175.02437	1.6
179.10716	1.2
181.12338	9.6
183.10262	15.3
190.29202	0.7
192.00546	1.1
197.11818	15.0
199.13382	1.9
207.10272	0.9
209.11810	30.7
210.12103	1.8
211.13268	1.5
212.13739	0.9
213.11307	0.7
223.09709	2.5
225.00655	0.7
225.11356	4.8
227.12785	2.6
234.34309	0.6
235.08133	0.7
242.16940	0.7
243.12363	4.4
249.06165	0.6
253.09250	1.8
289.62271	0.7
299.15024	0.9
317.16019	0.7
367.86008	0.8
483.25793	0.8
543.27802	2.6
657.30963	1.4
659.28955	1.5
669.30823	1.5
687.32245	15.6
701.30005	2.9
719.31323	100.0
720.31677	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	719.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57345	1.1
57.03436	1.4
59.01377	29.4
61.98831	20.5
63.44962	1.1
64.62141	1.2
67.13334	1.1
68.99791	1.3
69.03445	2.2
71.01381	13.7
72.99303	3.3
73.02939	3.4
75.00863	3.1
80.96509	5.2
81.03482	2.2
82.95419	3.0
83.01387	2.5
83.05027	8.6
85.02959	6.2
87.00880	4.3
89.02448	6.4
95.01429	2.0
95.05058	2.0
96.96001	1.1
99.00875	2.4
101.02462	6.7
109.92034	1.3
110.03740	1.2
111.04520	2.8
113.02446	6.8
125.02483	4.0
135.08168	1.7
139.11295	7.0
143.03520	1.1
145.05038	1.4
145.67937	1.1
151.11330	3.2
152.98517	1.4
153.12949	1.2
159.08212	1.1
159.31749	1.1
161.04541	3.2
161.09773	1.4
163.11284	7.0
165.12856	4.4
169.01479	2.9
169.12328	29.1
171.10269	8.2
179.10789	2.8
181.12390	5.2
183.10249	5.7
191.10934	1.2
192.00676	2.0
197.11836	50.1
198.12138	1.4
205.08672	2.3
207.03084	1.8
209.11821	100.0
210.12254	3.0
211.13457	2.5
213.11418	1.0
223.09727	6.5
225.00792	2.2
225.11331	1.8
227.12860	11.7
235.08362	1.9
241.10919	1.3
243.12440	2.5
253.09296	9.8
368.17920	1.3
527.79028	1.2
651.30322	1.8
669.31873	1.9
687.32281	47.7
688.33167	4.2
719.33960	80.6
720.33252	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	719.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04871	0.7
55.01874	0.8
57.03455	0.9
59.01388	9.0
61.98828	79.0
62.98537	1.3
69.03450	4.8
69.80827	0.8
71.01382	6.5
71.05016	2.9
73.02935	1.0
77.76155	0.7
80.02673	1.4
80.69274	0.7
80.96514	1.3
81.03459	2.7
83.01391	2.0
83.05008	5.6
84.02198	1.2
85.02937	3.0
87.00862	1.2
89.02447	3.6
94.40386	0.7
95.01406	0.7
95.04993	0.9
96.96020	0.9
97.03011	0.8
97.06573	1.6
101.02465	5.3
109.06589	0.9
112.28555	0.7
113.02444	2.8
119.03480	1.9
123.08196	1.4
125.09719	3.2
135.08168	1.6
137.09714	0.9
151.11276	2.5
153.12868	2.2
161.04602	1.9
161.09706	5.3
163.10034	0.8
163.11267	4.6
165.12871	2.2
169.01376	1.0
179.10767	8.7
185.11810	1.1
191.10780	1.2
192.18979	0.8
197.11821	91.9
198.12221	2.6
209.11816	82.6
210.12166	2.9
223.09816	1.1
225.11444	1.1
227.12767	4.5
229.04803	0.8
241.10847	4.4
253.09239	4.8
278.90976	0.7
373.96967	0.8
477.19662	2.4
687.32312	100.0
688.32654	11.6
718.09851	0.9
719.35052	35.6
720.35541	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	720.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79736	2.3
59.01373	40.6
61.98798	3.9
68.00337	1.9
70.88496	2.9
71.01381	27.5
73.02941	5.0
78.01231	2.8
78.95855	2.3
83.01385	4.7
85.02931	4.4
87.00857	5.3
89.02435	28.1
91.04012	2.1
97.02910	3.1
101.02441	17.8
113.02451	11.0
119.03489	7.4
125.02412	7.5
126.35345	2.3
143.03532	3.2
148.95898	2.6
161.04541	5.0
179.05527	4.6
235.08162	11.4
279.20200	4.3
279.23285	79.6
280.23618	4.2
287.07788	2.7
305.08932	4.1
397.13483	100.0
398.13702	6.2
415.14603	32.0
416.14517	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	720.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63092	0.4
52.98351	0.5
55.01875	1.0
57.03456	0.6
58.00599	0.5
59.01379	37.2
69.03452	1.3
69.27476	2.5
71.01379	22.6
72.99335	0.6
73.02937	3.8
81.03452	1.0
83.01361	2.8
85.02950	4.8
87.00879	5.6
89.02443	23.0
91.04002	0.7
95.01395	1.4
97.02942	4.6
98.10252	0.5
99.00890	1.0
101.02436	17.2
113.02446	8.4
115.04008	0.8
119.03498	6.7
125.02449	9.0
131.03513	1.0
133.05048	0.7
139.03972	0.6
143.03510	2.9
154.82388	0.5
161.04553	4.2
169.01540	0.5
179.05614	4.4
185.04576	1.0
199.06097	0.6
217.07156	1.1
221.06619	1.3
235.08221	10.8
253.09216	1.9
263.07782	0.9
277.09140	0.8
279.23282	71.1
280.23611	4.5
287.07669	3.4
305.08737	4.1
323.09821	0.7
348.17075	0.5
379.12421	1.2
397.13477	100.0
398.13889	6.6
415.14551	35.4
416.14993	2.5
515.21161	0.5
677.37433	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	720.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76380	0.2
51.29169	0.2
59.01377	0.4
65.31560	0.3
68.19626	0.2
81.03458	3.2
81.48952	0.3
83.05022	8.7
87.38286	0.3
90.43713	0.3
91.44163	0.3
104.01350	0.3
117.84197	0.3
119.15567	0.3
125.07185	0.7
126.05633	0.4
129.52878	0.3
153.74957	0.3
159.11502	0.3
207.15013	0.7
224.17625	1.2
225.16063	9.6
225.94850	0.3
309.21735	0.9
333.22971	0.5
341.29099	0.4
350.66022	0.3
367.27133	1.4
433.31641	0.9
450.34445	0.7
451.32800	6.9
452.32681	0.4
455.73090	0.4
535.38220	0.3
550.43463	0.6
593.43744	0.6
659.47778	1.3
671.16907	0.3
677.49615	100.0
678.49939	9.0
720.50018	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	721.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
59.01378	100.0
61.98827	1.1
69.03458	1.1
71.01379	30.5
71.43579	0.9
73.02946	13.9
83.01387	4.0
85.02950	11.6
86.37462	1.0
87.00865	2.0
89.02450	12.5
95.01390	3.4
97.02934	0.9
99.00874	2.1
101.02445	14.4
113.02454	25.2
119.03513	4.5
124.01642	2.1
125.02445	8.5
129.02031	0.9
133.01392	1.1
137.09799	1.3
143.03470	3.5
149.04463	1.2
161.04536	8.4
167.03510	1.7
169.01402	3.4
177.02025	1.2
177.36562	0.9
179.05624	1.9
203.12825	1.0
227.09540	0.8
304.28360	0.9
369.19116	3.2
379.21091	1.0
495.21848	1.0
513.23444	19.8
514.24158	1.4
531.24445	30.0
532.24707	1.6
549.25214	5.3
573.25525	16.2
574.26019	1.2
591.26678	10.7
592.26520	1.3
633.28497	1.3
721.32404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.98816	1.4
69.32446	1.5
69.32848	1.0
71.01390	2.3
73.02950	1.2
83.01376	0.7
85.02937	1.0
87.00829	0.6
89.02438	1.7
95.01369	0.7
96.02192	0.6
96.95990	0.6
98.22615	0.8
101.02427	1.7
108.02184	1.5
109.02926	0.7
111.00876	0.7
113.02459	1.1
119.03461	0.6
122.03767	3.1
123.00847	1.0
124.01657	3.0
125.02456	2.2
131.03575	0.5
137.02437	0.8
138.03218	0.5
150.03200	0.7
152.01135	4.5
153.01936	1.3
161.04465	0.7
165.01932	1.1
166.02693	1.1
167.03426	0.8
169.01411	1.0
175.03955	0.8
177.01895	1.0
192.00623	1.9
193.01268	0.5
207.02986	1.3
265.18060	9.4
281.17566	4.8
291.16202	0.5
293.17569	58.2
294.18002	2.6
295.19110	1.2
309.17059	100.0
310.17712	12.0
311.18637	4.2
321.17319	0.6
323.18591	3.7
335.22250	1.0
336.22617	0.8
410.88821	0.4
425.11948	1.0
453.11566	0.7
455.22760	2.0
472.23050	10.7
473.24078	2.9
497.23798	0.8
514.24146	12.5
515.24872	2.7
520.12433	0.6
559.27850	0.6
561.20105	0.6
677.30237	33.0
678.30396	2.4
685.28424	0.7
721.32629	2.0
734.69586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95636	10.9
59.01377	45.8
61.98819	42.2
62.82914	12.3
71.01385	65.4
78.91895	17.5
95.61411	11.5
98.22549	13.4
136.20239	10.9
195.17484	13.9
205.95871	10.5
207.10411	14.4
209.11804	44.6
211.13358	100.0
212.13885	13.3
223.13434	35.4
225.11299	18.8
266.12119	14.0
291.19608	36.4
297.22098	11.7
565.32922	11.8
617.40588	32.6
721.35669	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03448	3.0
59.01378	20.6
61.98825	14.2
68.75488	1.4
69.63747	2.3
69.64120	2.9
71.01378	14.7
71.05013	4.6
73.02950	4.6
80.02701	2.0
81.03446	1.8
83.01376	1.8
83.05029	8.2
85.02966	3.2
87.00884	3.1
89.02427	4.2
95.05046	3.2
97.02946	4.5
97.06566	2.1
99.00881	17.1
101.02438	9.8
109.06624	1.9
110.03741	1.9
113.02449	4.6
119.03465	2.2
123.08118	2.0
125.02489	3.3
125.09690	8.1
129.01874	2.5
135.08160	1.9
153.12817	2.4
156.77525	1.3
161.04556	1.9
163.11261	14.0
165.12866	3.0
169.12314	2.9
170.12898	1.7
171.10306	11.0
181.12354	20.0
182.12637	1.8
185.11790	2.3
192.00667	5.4
197.11827	6.3
199.13403	28.9
207.03023	3.8
207.10262	42.1
209.11812	99.1
210.12148	5.1
215.12857	1.8
225.11311	73.5
226.11700	3.8
227.12927	11.6
235.08241	2.2
243.12334	20.7
253.09259	8.4
352.81393	1.5
360.23044	1.7
404.40381	1.6
461.20337	6.7
479.21320	2.7
627.30646	1.8
640.42468	1.7
653.31360	3.6
671.32953	3.6
689.33844	100.0
690.34167	11.3
721.36548	65.6
722.37524	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	721.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.1
57.03440	1.6
59.01377	16.6
61.98500	1.3
61.98827	48.5
71.01379	73.1
73.02927	2.5
80.96538	1.2
81.03447	2.9
83.01369	1.7
83.05025	6.9
85.02935	1.9
87.00871	2.1
89.02448	4.8
95.04996	1.2
97.02945	3.7
99.00877	3.8
101.02443	6.8
109.06583	13.0
113.02433	3.2
123.08112	1.5
125.02495	2.1
125.09734	2.4
135.08151	1.6
139.14047	1.2
142.02654	1.1
143.69965	1.2
161.04549	2.3
163.11276	10.6
165.12834	3.7
165.99602	1.2
171.10252	17.8
181.12311	6.2
185.11824	3.3
191.10869	1.2
197.11830	3.5
199.09700	1.2
199.13280	1.8
199.42717	1.2
201.11337	7.3
207.10265	33.0
208.10536	2.0
209.11823	100.0
210.12146	3.8
211.13394	4.9
215.13002	1.9
221.11868	1.2
225.11348	26.1
227.12856	10.7
235.08173	2.8
243.12274	3.5
253.09337	10.3
302.32599	1.5
311.20813	1.3
347.54407	1.2
384.34119	1.2
399.21683	3.8
417.22488	1.6
444.82095	1.1
461.20227	7.0
635.30652	2.0
653.31982	3.4
671.33008	6.1
689.33893	7.3
721.36304	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	721.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
59.01371	0.2
64.70634	0.1
69.94537	0.2
69.94875	0.3
87.00885	0.1
95.01393	0.2
96.02190	0.1
98.21903	0.1
108.28941	0.1
109.02934	1.8
110.03730	2.7
113.09705	0.2
123.00896	1.4
124.01662	0.7
125.02448	1.3
137.02425	1.2
138.03226	6.4
139.04037	0.2
139.11264	0.6
142.02704	0.9
151.03990	0.3
154.02644	0.1
155.48416	0.1
165.01947	0.4
166.02701	3.4
167.03522	0.4
177.09314	0.1
179.03487	1.2
180.04272	1.6
190.06294	0.1
193.05058	0.2
198.01697	0.8
205.08788	0.2
212.02890	0.1
221.08052	0.1
225.57771	0.1
235.09738	0.3
236.10550	0.1
238.82211	0.1
265.14389	0.2
277.02313	0.1
321.20682	6.8
322.21005	0.4
349.20172	100.0
350.20511	5.1
369.56516	0.1
371.17087	0.3
395.35916	0.1
437.26395	0.1
721.38947	0.4
722.90222	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	722.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37453	1.5
57.03458	2.0
59.01378	39.5
61.98838	3.1
69.02011	1.4
69.18769	9.7
71.01377	25.4
73.02933	2.9
83.01360	3.1
85.02936	4.9
87.00871	6.4
89.02448	25.2
92.86954	1.5
93.56092	1.4
95.01306	1.5
97.02951	4.0
101.02447	20.9
109.11597	1.4
113.02424	9.1
117.56458	1.5
119.03496	6.7
125.02454	10.3
128.36945	1.6
137.02440	1.3
139.44757	1.8
143.03506	4.4
151.22037	1.4
161.04555	5.2
163.11278	1.6
179.05551	3.6
209.11812	4.3
211.13434	7.2
212.13756	3.1
221.06575	1.5
225.11391	2.8
226.11624	1.7
235.08176	9.5
253.09305	3.4
277.21643	6.4
281.24850	72.7
282.25125	3.2
287.07584	2.7
291.19675	3.3
292.19980	3.5
305.08667	4.3
397.13461	100.0
398.14053	3.8
415.14493	29.4
547.58014	1.6
590.10815	1.9
679.39014	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	722.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03432	1.0
59.01377	35.1
69.03446	1.2
70.50971	1.0
71.01379	21.8
72.99306	0.5
73.02944	4.7
75.00871	0.5
77.92896	0.5
81.03444	1.1
83.01375	3.0
85.02943	4.6
87.00866	4.6
89.02443	22.3
95.01389	2.3
97.02937	4.1
99.00878	2.1
101.02438	19.9
102.02806	0.7
103.04030	0.6
111.04494	0.7
113.02450	10.0
115.04010	0.8
119.03500	5.6
121.02966	0.7
125.02448	9.1
127.04062	0.5
131.03487	0.8
133.05067	1.1
139.03963	0.6
143.03511	4.3
149.04529	0.8
161.04538	4.4
167.03566	0.8
169.05132	0.7
179.05608	4.6
216.24373	0.6
217.07086	0.6
221.06746	1.2
235.08215	9.7
253.09294	1.5
259.58978	0.5
263.07785	1.1
265.14581	0.6
281.24838	76.4
282.25223	4.8
287.07724	2.9
305.08813	4.0
323.09647	1.2
355.04239	1.2
397.13467	100.0
398.13712	5.0
403.67654	0.7
415.14545	30.6
416.15057	1.8
586.73340	0.7
679.38794	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	723.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25298	0.5
54.78714	0.4
59.01373	1.2
81.03474	0.7
83.05022	1.9
96.96016	0.5
99.00889	2.3
100.81846	0.5
109.02969	0.5
125.02453	2.7
135.04494	0.5
135.08165	1.1
137.02414	0.8
137.09714	16.9
144.44019	0.4
149.02446	0.7
155.10777	48.3
156.11099	1.2
163.07576	0.5
167.03450	0.7
169.01430	1.7
177.01933	0.7
178.62932	0.5
181.08704	3.1
192.00620	4.9
193.01395	5.3
199.09766	13.1
207.02988	1.6
211.02455	1.1
225.07681	38.8
226.07948	1.0
234.01736	0.9
235.02487	0.5
237.79794	0.7
243.08725	100.0
244.09033	2.9
431.59021	0.5
479.08267	9.0
676.09253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55188	0.1
59.01363	0.2
65.43948	0.1
69.86905	0.1
69.87270	0.1
71.01376	0.1
79.95724	1.8
85.89191	0.1
95.95266	0.1
96.96009	100.0
97.95924	0.2
98.22609	0.1
98.95612	0.1
101.02436	0.1
111.71836	0.1
125.02443	0.1
167.03522	0.1
177.93265	0.1
230.39180	0.1
237.14954	0.2
259.02792	45.2
260.03049	1.2
261.04419	0.4
307.14032	0.1
399.20316	0.2
561.25806	0.1
723.32697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43825	0.3
55.93938	0.3
57.03452	0.6
59.01378	3.7
61.98827	0.8
63.02143	0.3
68.37274	0.3
69.22721	1.5
69.23124	0.5
70.39260	0.3
71.01377	2.3
71.20187	0.3
73.02941	0.6
80.02686	0.8
81.03432	1.4
83.01379	0.3
83.05019	3.9
84.02155	0.6
85.02978	0.7
87.00869	0.8
89.02432	1.4
95.01382	0.4
95.05029	0.8
96.96066	0.4
99.00854	0.4
101.02451	1.9
109.06606	0.3
113.02467	1.0
114.43825	0.3
125.02422	1.1
125.06030	0.5
125.09724	0.7
127.11286	1.1
135.08223	0.3
143.03494	0.3
155.10782	0.5
161.04549	0.6
163.11275	3.1
165.09200	0.6
165.12842	2.2
169.01411	0.6
169.12328	0.4
169.33505	0.3
171.10246	2.5
175.27785	0.3
179.05652	0.5
181.12267	0.6
191.10757	0.7
197.11792	0.5
199.09752	0.6
201.11316	21.0
202.11604	0.5
207.10211	0.3
209.11826	100.0
210.12131	3.7
225.11301	0.8
227.12883	13.6
228.13237	0.5
235.08266	2.9
253.09279	8.3
259.15497	0.5
271.67236	0.3
365.23672	0.4
375.21661	0.6
393.22873	0.6
437.20370	1.7
445.20792	5.2
463.22070	0.6
629.32452	0.7
637.32483	1.1
679.31378	0.5
687.31195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
53.28802	1.0
59.01373	7.4
71.01391	5.2
73.02947	2.2
78.95903	0.9
85.02939	0.9
87.00883	1.1
89.02463	2.6
94.19391	0.6
97.79817	0.6
101.02455	4.5
113.02451	2.5
133.05121	1.0
145.71957	0.8
161.04549	1.5
165.12831	6.2
166.05298	0.8
182.12854	0.7
183.13893	100.0
184.14268	3.5
207.10257	1.5
209.11844	8.7
225.11345	2.6
226.11656	0.8
227.12862	8.5
235.08202	3.5
253.09251	6.7
277.21716	42.3
278.22098	1.8
279.23257	1.4
311.04861	0.8
371.48639	0.8
419.22906	0.8
434.10760	0.9
445.20593	2.1
463.21780	5.0
469.00320	0.8
723.43231	68.1
724.43652	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	723.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19139	0.9
66.47491	1.1
69.42367	1.1
69.43594	1.1
74.55638	1.0
75.22505	1.2
78.86031	1.0
99.96165	1.2
114.42782	1.0
122.03716	1.2
123.04522	33.5
125.02361	1.9
137.02408	7.0
138.03175	2.5
151.04010	17.4
152.04771	2.9
165.05585	3.5
184.61444	1.4
193.12253	1.8
221.11876	2.3
247.17050	1.5
275.16452	1.8
277.26044	1.1
289.21658	2.2
303.19629	4.8
316.20511	2.5
317.21176	6.7
318.21988	15.6
319.22287	1.7
333.24319	59.3
334.24539	3.7
363.25394	100.0
364.25461	5.1
420.03851	2.4
493.73749	1.2
562.52936	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	724.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
59.01379	38.9
61.98826	1.1
63.22671	0.8
63.75869	0.8
68.72051	0.9
70.11337	1.4
70.11665	1.6
71.01004	1.8
71.01378	24.8
71.57223	0.9
73.02936	4.4
76.62851	1.0
83.01391	2.8
83.05051	1.1
85.02945	4.9
87.00858	6.0
89.02438	20.8
97.02956	4.8
99.00866	2.3
101.02438	18.3
103.13879	0.9
113.02452	9.1
119.03526	6.1
120.66064	0.9
125.01589	1.4
125.02440	7.8
133.05087	1.3
143.03511	3.0
161.04573	4.3
165.18083	1.0
179.05644	4.7
199.13486	1.2
207.10229	1.0
209.11833	10.3
210.12195	3.9
221.06691	1.1
226.11501	1.0
227.12872	3.2
235.08205	12.8
253.09276	3.0
272.51950	0.9
277.09320	1.1
277.21616	9.1
278.22031	7.2
279.23007	1.6
283.26410	66.1
284.26712	4.4
287.07718	3.0
305.08734	3.4
323.10004	1.3
397.13477	100.0
398.13797	5.6
415.09296	1.6
415.14569	29.5
415.20102	1.6
416.14798	1.7
681.40765	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	725.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	40.8
70.51550	2.6
71.01385	23.1
73.02927	2.4
78.95898	4.2
81.03453	2.6
82.73725	2.0
83.01386	4.8
85.02951	8.6
87.00877	22.1
88.98819	2.5
89.02441	30.3
97.02946	13.8
98.22006	2.5
101.02438	13.8
109.02882	2.2
110.89940	2.7
113.02465	14.2
119.03481	6.9
125.02449	84.5
139.04051	7.2
141.01924	2.3
141.14903	2.1
143.03482	6.7
161.04517	5.7
165.04097	2.7
167.03494	5.5
179.05629	7.2
235.08142	3.1
252.15283	2.3
263.07687	4.6
287.07730	9.4
305.08792	6.5
323.09662	5.3
344.52740	2.4
459.23285	2.3
477.59604	2.5
485.15265	13.3
503.16089	22.3
665.21497	100.0
666.21906	7.0
740.73608	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	725.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07490	0.2
57.03448	7.2
59.01379	1.6
64.05418	0.2
69.40100	0.2
70.43329	0.3
71.01382	2.6
73.02946	0.9
81.07095	0.6
83.01388	0.3
83.05022	0.3
85.02956	1.3
89.02416	0.2
91.36417	0.2
95.05019	1.1
95.60333	0.2
99.00869	0.2
99.08154	34.4
100.08485	0.3
101.02426	1.8
101.95830	0.2
105.03465	0.7
109.06592	0.9
113.02442	1.3
123.04520	70.0
124.04861	1.0
127.07648	46.6
128.07983	0.7
129.05574	33.4
130.05948	0.3
138.03207	0.9
143.03506	0.2
149.02446	0.4
153.05571	36.7
154.05914	0.9
159.03009	0.6
161.04544	3.9
161.05832	0.3
170.30441	0.3
171.06622	7.7
171.10277	0.3
189.07655	2.3
209.11928	0.3
285.09790	11.7
286.10312	0.3
439.15939	0.7
457.17126	100.0
458.17484	5.0
536.13049	0.2
628.24530	0.2
663.17914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50935	0.3
52.33729	0.4
63.61554	0.3
67.19907	0.3
69.87035	0.8
69.87371	0.4
73.02956	0.3
79.95707	2.2
96.96010	100.0
98.21939	0.5
105.07993	0.4
111.99724	0.3
118.94208	0.6
125.02431	1.2
148.69911	0.4
169.01443	0.6
177.01956	0.9
196.93962	0.4
215.03932	0.6
217.05363	1.6
237.14928	0.6
261.04361	60.6
262.04678	1.5
283.02600	1.6
394.94269	0.4
400.20758	0.4
401.20663	0.4
449.07010	0.6
562.26349	1.0
563.26074	1.2
615.09503	0.4
725.32556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48864	0.3
59.01389	1.9
68.99766	0.4
69.26800	1.4
71.01355	1.0
85.02998	0.4
89.02425	0.9
90.86720	0.3
95.01383	0.4
96.02158	0.3
97.76903	0.3
101.02409	0.6
108.02180	0.9
109.02932	0.7
119.03502	0.5
123.00867	1.2
124.01622	1.4
125.02399	0.4
136.01666	0.5
137.02391	0.5
138.03186	0.6
150.03181	0.5
152.01152	2.4
166.02646	0.6
193.12337	7.5
209.11835	5.7
221.11826	46.9
222.12228	1.9
223.13339	1.1
235.13350	0.4
237.11324	100.0
238.11951	11.6
239.12880	9.7
249.11299	0.5
251.12866	4.4
263.12988	0.4
265.14661	0.4
269.08029	0.3
279.12308	1.5
380.60828	0.4
383.17056	5.1
399.16605	6.2
400.17325	7.6
401.18124	10.4
402.18555	0.7
545.22095	0.5
562.22626	11.1
563.23450	34.6
564.23669	1.9
670.10321	0.4
725.28613	10.2
726.29578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	17.9
61.98816	23.7
65.63171	6.4
73.97192	6.4
82.95412	60.8
83.05014	9.4
85.00424	10.3
94.63074	9.0
96.95963	11.1
100.28892	6.9
119.60929	6.6
121.50191	7.1
128.71912	6.6
167.12053	8.4
175.99196	7.5
206.01839	7.1
207.10265	7.6
208.92564	8.5
209.11829	80.7
211.13380	100.0
225.11389	9.9
227.12871	25.7
286.31232	7.8
381.88455	8.1
424.46765	7.9
447.22342	26.1
639.33527	24.9
657.34998	11.8
725.35217	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.0
61.98826	39.7
69.75153	4.7
70.31653	11.2
71.01396	8.9
82.95434	14.8
83.05040	5.2
100.51688	5.3
101.02427	6.2
105.55209	5.5
171.10210	6.8
183.13914	6.6
199.09750	8.1
207.10371	12.1
209.11865	75.0
211.13383	100.0
225.11365	9.8
227.12865	16.7
235.08324	9.1
250.24805	5.2
253.09160	12.6
445.20557	6.5
447.22363	22.5
621.32996	6.1
639.33276	13.4
725.35040	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02732	17.1
59.01374	38.2
60.06494	18.5
61.98822	24.1
71.41417	25.1
73.38953	17.0
101.02455	24.7
188.86638	18.3
250.54161	17.8
281.24841	73.1
357.03845	35.9
397.13428	100.0
402.25018	24.8
412.17981	18.6
415.14453	23.4
431.55002	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	725.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.4
68.41837	0.3
68.99806	0.7
76.07698	0.3
79.00159	0.3
81.93439	0.3
82.00579	0.4
95.01384	4.2
96.02177	0.8
98.00096	0.6
105.29069	0.3
109.02942	2.0
110.00093	1.7
123.00879	29.0
124.01731	2.3
137.02435	9.4
151.00351	2.6
151.03979	0.4
152.01160	0.5
153.01869	0.3
165.01918	11.8
165.05560	0.4
165.09245	0.5
166.02515	0.3
167.03462	1.0
172.99817	0.3
179.03499	0.6
179.07121	1.0
193.08714	4.1
219.10281	0.4
219.14043	0.5
221.08151	2.1
233.11810	0.4
247.13269	2.0
261.14902	1.7
272.87823	0.3
289.17789	0.4
290.18799	2.0
305.21158	1.1
318.18369	5.3
330.56137	0.3
333.20682	100.0
334.21301	12.5
335.21848	0.3
371.57974	0.3
376.22446	1.3
391.24902	4.5
634.15173	0.4
740.30090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65546	1.6
59.01373	2.1
63.25485	1.3
96.52913	1.3
96.96008	2.0
97.06590	1.5
99.00867	1.7
120.15238	1.3
123.08144	1.6
124.01643	4.9
125.02502	2.9
127.08662	1.3
133.06604	1.9
137.02455	3.5
138.03236	9.2
139.00354	3.5
149.06052	4.2
150.03255	2.4
151.07608	3.7
152.01105	1.8
154.52914	1.3
161.06046	4.1
163.04021	1.9
177.01920	1.9
177.05547	25.5
177.09167	1.5
179.07120	95.1
180.07372	2.4
195.06602	3.7
223.06104	86.9
224.06583	2.1
225.07675	1.6
234.97755	1.3
239.05603	100.0
240.06320	8.5
253.07240	2.8
265.06976	2.1
281.06360	1.5
385.11307	11.2
401.11072	1.7
402.11646	5.3
403.12344	4.0
547.17017	1.5
564.16705	7.9
565.17719	59.0
566.18146	3.3
727.23102	24.0
728.23206	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34114	3.9
59.01361	13.5
60.99309	4.2
61.98827	15.3
69.71855	15.6
71.01377	12.9
82.95412	12.4
84.95116	8.4
85.00419	6.8
88.98788	23.8
89.02457	5.6
95.78986	4.7
106.01557	4.3
108.56135	4.3
121.95798	5.3
171.10330	6.0
183.13870	8.7
185.11830	14.9
199.09734	11.7
201.11235	7.2
207.10268	9.7
209.11769	23.3
211.13388	100.0
225.11264	16.3
227.12904	7.6
235.08269	5.8
249.04471	6.0
253.09245	12.5
253.73720	4.7
333.29550	4.5
407.19379	4.5
429.20905	6.1
447.22165	11.0
461.19815	6.4
615.33392	5.6
623.34320	7.5
641.35388	13.0
655.32697	7.4
727.36548	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10079	0.4
54.83747	0.4
57.94247	0.4
58.13591	0.5
61.98827	100.0
70.65188	0.8
70.65534	0.5
80.28049	0.5
125.69501	0.5
127.56371	0.5
178.54114	0.5
214.73883	0.5
270.56186	0.5
335.21844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88194	1.0
52.68058	1.0
59.01374	4.4
61.88557	1.0
61.98825	3.2
71.01359	2.2
71.05038	1.2
83.75270	0.9
84.95129	2.1
85.00453	5.5
86.53539	1.0
89.02439	2.2
91.28767	0.9
98.21793	2.3
101.02427	1.8
107.35633	1.1
113.02461	2.3
122.95515	1.1
167.10756	2.2
179.10748	1.2
179.14400	2.0
183.13866	6.4
193.12370	2.6
195.13899	5.5
205.12259	6.5
211.13397	100.0
212.13719	3.0
223.13394	77.0
224.13716	2.6
233.19327	1.1
235.08214	3.6
253.09344	7.0
291.79468	1.1
349.42871	1.4
441.21262	3.4
447.22299	14.8
459.22281	14.8
635.34442	6.8
653.35577	11.9
654.35529	1.6
743.88708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90543	0.7
57.03445	11.7
59.01359	0.8
70.05490	1.8
70.05822	1.0
81.03429	2.2
83.01382	3.1
84.26672	0.7
93.03455	1.2
95.05021	1.4
97.02986	1.2
98.22594	1.1
103.05528	1.1
105.03449	1.9
107.05023	1.4
109.02943	8.9
111.04478	1.1
120.35218	0.7
121.02944	2.8
122.03725	5.4
123.00854	1.4
123.04507	3.2
125.02441	100.0
125.95953	0.8
126.02765	1.4
131.05011	1.2
133.02917	2.6
135.04420	1.7
137.02451	15.1
137.06049	5.2
139.03989	4.1
143.82166	0.8
145.02931	1.5
147.04506	2.3
149.02469	3.9
149.06056	0.9
151.03999	6.5
153.01904	3.4
154.38843	0.9
159.04491	2.3
160.01492	0.8
161.02437	26.6
161.06026	1.4
162.03287	1.0
163.00394	2.2
163.03987	2.9
164.01135	5.3
165.01927	5.6
165.05421	0.9
167.03461	6.7
169.01410	9.4
169.11902	0.9
173.06076	1.5
174.03143	1.1
175.04005	10.8
177.01920	29.8
177.03484	1.4
177.05473	2.7
178.02486	1.0
179.03528	4.7
181.05066	22.1
187.04018	2.5
189.01913	1.2
189.05499	1.2
191.03484	15.4
192.03796	6.3
193.05049	2.6
199.03917	3.1
201.01823	1.5
201.05534	3.1
203.03513	2.4
203.07159	1.5
205.05029	1.5
205.19849	0.8
213.05449	1.3
215.03583	1.8
217.04993	5.7
219.02943	2.9
219.06592	3.0
221.04443	2.3
221.08159	1.0
225.05573	2.0
227.03424	3.2
228.04274	1.0
229.01314	3.3
229.05011	2.2
229.96935	0.9
231.02980	0.9
233.04462	1.7
238.08498	0.9
241.05167	0.9
243.02965	10.1
243.06512	2.0
245.04517	5.4
245.08174	2.7
253.05147	1.1
255.03026	8.2
255.05475	1.3
256.03632	2.9
257.04465	2.2
259.06161	1.0
261.03970	2.3
261.07730	1.3
269.04550	9.3
271.06030	2.7
273.04111	2.1
283.02408	3.5
285.03979	3.3
287.05600	19.1
289.07202	12.0
297.03937	2.8
303.05008	2.4
305.06665	25.0
306.07007	1.4
311.07883	6.2
312.07980	3.9
313.08286	1.7
339.08347	1.0
343.10266	2.5
355.08121	0.9
375.14645	1.3
379.08243	1.3
389.06412	1.0
405.06030	2.7
405.15424	1.0
407.07724	26.7
423.07205	34.1
424.07553	2.7
425.08844	5.1
441.08063	3.6
449.08832	2.9
451.10068	1.7
457.07870	0.9
467.09760	6.6
543.09241	2.9
559.11755	1.2
561.10266	2.7
567.19519	1.3
575.11664	5.4
577.13214	1.9
593.12811	7.7
603.11121	1.3
696.06531	0.8
729.14050	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	729.1456
Annotation	CHEBI:75662
Peak:m/z	Relative Intensity
57.03447	12.6
60.21913	0.6
63.31971	0.7
69.27876	1.8
77.66759	0.6
81.03443	2.7
83.01377	3.2
89.03986	0.6
93.03458	2.0
95.05011	1.4
96.95987	0.7
97.02932	1.3
98.77472	0.6
103.18275	0.6
105.03454	2.7
107.04998	1.2
109.02948	8.9
111.04532	1.5
117.03461	0.9
119.05040	0.7
121.02941	4.5
123.00862	1.6
123.04485	3.5
124.01635	1.2
125.02441	100.0
126.02776	1.6
131.05023	1.6
133.02934	3.7
135.04546	1.5
137.02438	14.8
139.03998	3.9
143.05032	1.2
145.02927	2.4
147.00912	0.9
147.04514	0.8
149.02429	6.8
151.01437	0.7
151.03995	9.9
153.01782	0.7
159.04587	3.1
161.02435	20.1
161.06090	2.0
162.03172	0.9
163.00363	4.0
163.03984	1.6
164.01108	1.9
165.01933	5.6
167.03535	3.9
169.01398	7.9
169.02766	0.9
171.04585	0.8
173.06024	1.1
175.00336	1.5
175.03987	13.4
175.07713	0.7
177.01917	55.8
177.05515	2.8
178.02277	2.4
179.03506	2.4
183.04460	1.3
185.06078	1.8
187.04044	4.0
191.03473	1.7
193.01367	1.5
193.05052	2.6
199.03983	3.7
201.01961	1.1
201.05588	2.4
202.06297	0.8
203.03479	2.5
203.07173	2.9
205.01521	0.7
205.05043	2.7
211.04048	1.9
213.05502	0.9
214.02863	0.8
215.03520	2.6
217.05057	6.9
218.05180	0.8
219.02982	2.8
219.06548	1.6
221.08138	0.7
225.05508	1.3
227.03357	3.5
227.07164	1.2
228.04308	1.2
229.01416	2.0
229.04979	2.4
231.03146	0.9
231.06544	0.7
241.05104	1.0
243.02942	14.0
243.06651	1.3
244.03316	0.9
245.04544	3.6
245.08087	4.8
253.05147	1.9
254.05983	0.7
255.02986	7.9
256.03714	3.4
257.04535	2.7
259.06149	0.9
261.03973	5.6
267.02991	0.9
269.04480	6.8
270.05365	0.7
271.06155	4.8
273.04062	2.8
273.07684	0.9
281.04541	1.8
283.02460	4.2
285.03986	3.0
287.05594	11.3
288.05939	0.7
289.07178	17.4
290.07495	1.2
297.04092	3.6
301.03458	4.5
303.05127	7.2
305.06680	8.6
313.03671	1.8
315.05341	1.0
327.05118	0.7
339.08768	1.0
361.07309	0.8
362.49799	0.7
379.07834	1.0
387.05276	1.5
389.06726	2.4
405.05923	4.4
407.07697	30.7
408.08130	2.3
423.07178	36.4
424.07462	2.9
425.08865	2.8
433.09137	1.6
439.06741	1.0
441.08206	8.4
442.08420	0.7
451.10336	5.4
453.08447	1.0
465.08389	3.6
483.09631	1.8
543.09442	2.2
559.09760	2.3
561.10199	4.4
577.13617	4.7
591.11371	5.1
592.12677	0.9
603.12024	1.5
609.12543	4.1
676.38123	0.7
729.14697	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	729.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01367	3.1
61.98818	1.6
65.33767	0.8
71.01379	2.0
73.30206	0.8
93.03451	0.9
96.96004	1.7
104.87576	0.9
105.56770	0.9
115.85281	1.0
121.02961	1.0
124.01682	1.0
125.02479	5.1
132.02190	2.7
134.03740	6.1
136.01686	1.5
137.02443	2.1
149.02434	2.6
149.06093	1.8
160.01653	11.3
160.45366	0.8
161.02388	2.7
162.03278	1.0
164.01137	5.9
165.01892	1.4
167.03462	2.2
169.01358	2.2
175.03983	12.3
176.04753	4.0
177.01917	2.4
178.02707	3.1
178.99791	2.6
186.62038	0.9
190.02661	2.1
191.07164	5.1
192.00644	100.0
193.01407	20.0
193.05035	10.2
194.02159	2.8
205.01395	2.0
206.02168	3.0
207.02972	25.8
217.05058	1.4
221.00894	1.3
221.04416	1.0
222.01714	1.6
234.01707	7.1
235.02496	1.9
235.06055	6.0
235.13478	1.1
249.04005	3.8
265.14420	1.5
273.95834	0.9
295.08167	3.8
327.07126	1.8
405.15936	1.1
409.84186	0.8
419.09927	7.6
461.10965	2.6
503.11951	19.8
504.12082	1.4
513.04956	1.2
729.16705	36.3
729.32239	2.6
730.17145	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	729.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73420	0.3
57.01823	0.4
59.01373	1.1
61.98817	0.4
65.40399	0.3
85.02924	0.4
92.02166	0.3
93.03468	0.5
98.22629	0.5
108.02187	0.7
109.02955	0.4
114.22658	0.4
119.92645	0.3
121.02950	1.1
122.03743	2.2
123.04504	0.4
124.01704	0.5
125.02441	1.7
133.02925	0.6
134.03841	0.5
136.01660	1.7
137.02383	0.4
139.00450	0.4
147.00925	0.3
149.02431	2.4
150.03218	11.4
161.02466	1.6
162.03194	1.2
163.00319	0.8
163.04053	0.5
164.01135	7.8
164.04802	1.0
165.05556	10.1
166.02725	0.6
167.03462	0.6
169.01390	0.7
175.00383	0.9
177.01866	0.9
178.02563	0.4
178.99852	3.8
180.04295	0.7
189.01874	0.5
190.02702	4.0
190.99800	0.6
191.03511	1.0
192.00632	100.0
193.01305	7.0
194.02219	1.6
195.06601	4.3
201.75328	0.3
204.04305	0.4
205.01442	1.7
205.05052	3.2
206.02248	1.6
206.05829	0.4
207.02968	54.6
208.03291	1.5
221.00897	1.1
221.08051	0.6
222.01866	0.8
223.06090	1.1
232.03789	0.8
233.00841	0.5
234.01636	6.6
235.02380	0.4
237.04117	0.6
249.04019	5.3
250.66524	0.3
265.07104	0.6
291.05060	0.5
309.06107	4.4
325.09308	2.3
327.07004	0.8
336.87277	0.3
436.21194	0.4
531.11395	0.6
531.60535	0.3
533.12946	12.9
729.20386	4.7
729.31952	0.6
730.20325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.1
61.98812	1.0
69.52921	1.7
69.53302	1.5
71.01368	3.4
77.40294	0.7
85.02934	1.1
89.02448	2.4
95.05004	2.2
96.95988	0.8
97.96982	0.7
98.21945	1.5
101.02454	2.2
109.02943	1.9
113.02448	1.3
115.04040	1.1
119.03522	0.9
121.02984	0.9
121.06590	1.9
122.03716	1.7
123.04510	3.5
124.01642	3.2
125.02463	3.5
134.03754	1.0
135.04535	2.6
135.08040	0.7
136.05295	4.7
137.02435	2.8
137.06100	1.8
138.03235	17.5
139.04015	1.8
139.05119	0.8
139.07677	0.7
148.05287	1.4
149.02417	1.2
149.06036	0.9
149.09709	4.9
150.03203	2.9
151.03949	4.1
151.07652	2.6
152.04800	3.6
155.07170	1.3
160.01657	1.5
161.04582	0.8
162.03214	0.9
162.06880	1.6
164.04820	2.2
165.05571	7.5
166.06366	2.0
167.03459	0.9
167.10735	2.4
169.01378	0.8
175.04050	4.2
175.07654	2.1
176.08372	0.8
177.02007	0.7
177.09203	59.6
178.09528	1.7
179.07156	1.1
180.07878	0.8
183.10342	1.4
189.05586	1.0
193.08681	14.4
194.09460	4.0
195.06647	1.4
195.10263	12.0
197.04604	0.7
197.11873	0.8
207.10397	0.8
211.09822	1.8
219.10222	1.5
221.08188	33.0
225.11232	1.6
237.07596	4.3
238.08450	43.0
239.09232	100.0
240.09521	3.2
241.11664	1.1
245.08067	1.2
263.09232	1.4
291.62125	0.7
353.10239	0.9
383.13370	2.3
401.14474	10.4
405.23132	1.1
533.16455	1.3
549.23303	1.1
553.45459	0.8
563.19946	1.3
567.24426	65.7
568.25006	5.4
593.71600	0.9
729.29755	58.4
730.30328	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	730.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
68.71819	0.2
69.21124	0.2
79.22206	0.2
122.42958	0.2
139.24005	0.2
228.60892	0.2
286.75290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24942	0.2
58.35519	0.2
61.89329	0.2
61.98826	100.0
62.41466	0.2
70.98696	0.2
80.96508	0.2
95.84328	0.2
101.74841	0.2
109.14607	0.2
113.79396	0.2
116.08049	0.2
130.08760	0.2
131.07178	0.6
133.05798	0.2
148.83640	0.2
171.10330	0.4
172.10648	0.2
314.20514	0.3
356.25595	0.6
427.29623	0.2
432.41391	0.2
467.28448	0.3
617.95123	0.2
690.73566	0.2
694.44507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40358	0.5
69.79604	1.6
70.47846	0.5
95.01359	1.3
96.02156	2.8
96.96011	2.5
98.22643	1.0
111.00874	0.6
112.67532	0.6
123.00877	2.0
124.01653	5.1
152.01149	6.3
155.82617	0.6
165.02008	1.0
166.02751	1.6
171.21690	0.6
184.00101	0.9
237.14948	5.5
265.14456	100.0
266.14822	4.9
625.11017	0.5
644.55005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94095	0.9
59.01375	5.6
61.98828	79.7
71.01383	3.3
83.05023	3.5
86.24693	0.9
88.98808	4.4
89.02449	3.1
101.02439	2.3
113.02462	1.5
115.58586	0.9
137.02252	0.9
163.11259	1.7
165.12807	1.4
171.10284	1.7
175.86621	0.9
183.13882	5.6
191.10905	1.1
193.12415	1.5
199.13373	1.8
209.11818	81.0
210.12178	2.4
211.13385	100.0
212.13718	2.6
227.12846	15.8
235.08290	5.1
253.09286	5.9
429.21259	1.4
434.76978	1.1
445.20728	5.8
447.22275	12.6
527.25244	1.0
619.17767	1.0
621.32465	2.3
639.34106	4.1
641.22345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35931	23.9
53.55799	23.4
67.38538	23.5
69.51871	100.0
72.40927	27.4
91.82850	25.6
147.82161	28.9
169.58562	24.8
180.45256	25.7
220.84300	30.1
275.53845	25.1
387.54333	26.8
392.03195	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	733.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
57.03437	2.0
59.01376	100.0
61.98824	2.3
69.03449	1.9
69.38357	3.1
69.97277	0.8
71.01382	28.2
72.99302	1.7
73.02937	7.9
75.00824	1.1
77.76595	0.8
83.01372	3.5
85.02943	13.7
86.00075	0.9
87.00860	1.8
89.02447	8.7
94.13754	0.7
95.01387	4.1
96.95998	1.5
97.02946	1.7
98.32736	0.8
99.00870	2.7
101.02445	13.8
113.02451	18.4
114.02746	0.9
119.03477	2.6
124.01645	2.7
125.02444	12.8
138.91159	0.8
143.03500	4.5
151.07690	1.8
151.21266	0.9
159.02855	1.1
159.28238	0.7
161.04558	3.7
167.03459	2.0
169.01434	8.0
177.01851	1.4
185.11812	0.9
201.55440	0.9
209.11795	4.2
209.86600	0.9
212.66316	0.8
230.64111	0.9
298.67825	0.8
305.06711	1.3
319.04492	1.0
323.57373	1.0
381.22849	2.6
399.23697	2.2
507.25958	1.6
525.26996	17.1
543.28082	53.2
544.28455	5.3
561.29108	13.7
585.29218	10.2
586.28931	1.1
603.30219	16.7
604.30615	1.9
645.30804	1.5
671.38940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.2
55.86642	0.2
55.91325	0.2
57.03453	0.2
59.01375	8.9
61.98821	0.6
63.07087	0.2
66.79983	0.2
69.03426	0.3
71.01380	4.5
71.43577	0.3
73.02940	0.5
83.05011	0.2
85.02968	0.2
87.00866	0.3
89.02456	1.1
89.02939	0.2
97.02920	0.3
99.00851	0.2
101.02444	1.2
109.06579	0.6
113.02434	0.9
119.03453	0.4
128.01613	0.2
143.03458	0.2
155.10788	0.2
161.04558	0.7
163.11288	0.6
165.12762	0.3
167.14381	0.8
171.10262	0.7
179.05699	0.3
181.12276	0.2
183.13881	6.2
184.14264	0.2
185.11819	0.2
193.12352	1.5
199.09761	1.0
199.13374	0.3
201.11258	0.3
207.10229	2.1
209.11816	1.4
211.13383	100.0
212.13716	2.4
225.11287	1.8
227.12862	0.7
229.14297	0.2
235.08200	1.7
253.09267	3.4
270.23001	0.2
383.22104	0.3
387.25461	0.4
401.23309	0.4
419.24191	0.4
429.21329	1.6
435.19336	0.2
447.22339	10.7
448.22601	0.3
461.20383	0.5
496.82074	0.2
608.90149	0.2
622.45197	0.2
623.34198	2.6
637.32062	0.5
641.35406	2.3
655.33411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.6
59.01377	41.0
61.98812	3.8
70.21878	3.7
71.01377	24.0
73.02946	6.0
83.01369	2.5
85.02952	4.6
87.00874	6.4
89.02439	24.6
97.02965	5.6
98.22013	2.0
99.57903	1.7
101.02432	21.1
109.02952	1.6
113.02455	7.6
119.03487	10.0
125.02455	11.4
128.39594	1.6
143.03529	2.8
161.04544	5.2
179.05655	4.2
191.95676	1.7
235.08182	10.3
253.09312	3.4
277.21707	71.2
287.07669	3.8
305.08786	4.9
323.09808	2.6
397.13464	100.0
398.13699	2.4
415.14529	33.8
566.96368	1.7
626.06659	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	736.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46152	0.1
61.98827	100.0
70.47810	0.1
79.39841	0.1
87.59084	0.1
89.87999	0.1
125.56644	0.1
207.10155	0.1
211.13493	0.2
212.13811	0.1
329.12814	0.1
351.85623	0.1
357.63449	0.1
502.22299	0.1
586.08948	0.1
641.52008	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	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41680	0.1
59.01381	0.9
61.91748	0.1
61.98829	100.0
68.21515	0.1
69.79145	0.2
69.79516	0.2
71.01379	0.5
82.95434	0.1
83.17558	0.1
89.02457	0.4
101.02455	0.3
113.02460	0.2
125.02422	0.2
161.04501	0.1
209.11827	0.1
211.13431	0.2
277.21725	0.6
278.22086	0.6
368.42371	0.1
378.07651	0.1
397.13568	1.0
398.13794	0.5
415.14828	0.2
416.14899	0.2
714.79462	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	736.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81427	0.1
59.01363	0.1
61.98827	100.0
84.54620	0.1
86.11054	0.1
98.22677	0.2
135.34087	0.1
209.11885	0.1
211.13432	0.3
212.13805	0.2
228.86290	0.1
531.36224	0.1
672.77252	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	737.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25028	0.3
55.01878	0.5
57.03431	0.4
59.01379	100.0
59.05185	0.2
60.01716	0.6
61.98838	1.2
65.34689	0.3
71.01380	5.2
73.02946	2.0
83.01389	0.7
85.02952	2.6
87.00883	0.3
89.02474	0.7
93.03423	0.3
95.01402	0.4
96.96008	0.5
99.00909	0.8
101.02450	5.6
113.02446	2.2
115.04060	0.3
125.02464	1.0
131.03801	0.4
132.04559	1.4
133.04901	0.5
143.03464	0.3
145.57675	0.3
146.93294	0.3
151.04057	0.3
157.12917	0.3
159.02992	0.6
161.04573	2.5
167.03552	0.3
169.01457	0.6
229.20329	0.3
249.13383	2.0
269.10315	3.8
311.11343	6.4
331.04459	0.3
348.53375	0.4
381.17612	7.4
387.89850	0.3
737.25653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.6
61.98828	100.0
70.01960	4.6
71.01376	14.8
80.60394	1.5
80.96498	5.3
85.72977	1.5
89.02481	2.2
91.07293	1.5
96.78745	1.9
96.96044	1.6
101.02409	2.1
103.01488	2.5
109.06573	2.1
171.10275	2.6
183.13823	2.5
197.11821	9.6
207.10246	5.1
209.11830	20.3
211.13440	22.2
223.13367	10.2
225.00806	2.6
225.11279	4.4
227.12897	5.4
235.08192	1.7
253.09276	3.7
291.19733	3.9
483.78659	1.7
651.33539	2.7
655.32928	2.9
693.41907	4.4
737.35455	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	737.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
61.98827	14.7
69.27376	0.7
69.27757	0.6
71.01385	1.8
73.02934	0.6
80.02672	1.0
80.96527	0.4
81.03445	1.5
83.01408	0.4
83.05014	3.8
84.02149	0.7
85.02925	0.4
87.00871	0.4
89.02440	1.2
95.05034	0.5
97.02928	0.3
98.22572	0.6
101.02438	2.0
113.02464	0.7
119.03493	0.4
121.88958	0.3
125.06027	0.3
125.09664	0.5
143.03497	0.3
155.65996	0.3
160.23067	0.3
161.04552	0.8
163.11270	3.2
165.12825	2.1
169.12363	1.9
171.10213	1.4
181.12225	0.4
185.11932	0.5
191.10780	1.1
192.00655	1.0
199.13330	0.6
207.02997	0.4
209.11813	100.0
210.12138	3.2
211.13445	0.7
225.11258	0.3
227.12874	15.3
228.13303	0.7
235.08205	2.1
247.13432	0.5
253.09251	4.4
273.16815	0.3
289.25800	0.3
405.21292	0.3
445.20856	3.3
575.21259	0.6
637.32404	0.9
737.31177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69510	1.2
59.01375	33.9
61.29701	1.2
71.01376	22.2
71.45069	1.8
72.99282	1.3
73.02940	4.1
73.92598	1.1
83.01384	3.5
85.02955	4.3
87.00868	4.0
89.02438	22.2
95.01373	2.3
97.02945	4.6
99.00871	1.6
101.02437	19.3
104.31782	1.1
113.02467	6.7
116.56519	1.2
119.03520	6.7
125.02431	9.7
141.01776	2.2
143.03471	2.5
161.04546	4.0
179.05589	2.6
235.08215	8.8
253.09244	1.9
279.23276	76.0
280.23593	4.0
287.07770	2.9
305.08759	4.2
397.13464	100.0
398.13794	3.9
415.14502	32.5
451.71457	1.4
553.03870	1.4
677.37622	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	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.2
61.98828	1.8
69.03441	4.3
70.01392	3.4
70.68649	1.0
71.01360	5.1
71.05009	1.9
78.95922	1.0
89.02429	2.5
101.02427	4.1
107.18365	1.0
113.02427	1.5
114.42660	1.1
123.08083	1.4
125.09708	2.0
127.82451	1.0
148.35725	1.2
151.11282	1.7
153.12767	1.6
161.04483	1.2
161.09717	2.7
161.93066	1.2
169.12370	1.3
179.10797	5.6
197.11816	85.4
198.12155	1.7
203.21295	1.2
205.08670	1.8
223.09686	2.3
241.10835	3.4
253.09210	3.0
277.21704	29.6
278.22018	2.1
477.19299	1.7
514.19269	1.1
737.41144	100.0
738.41473	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
58.46763	0.8
59.01393	5.5
60.35817	1.0
61.98800	1.0
62.35577	0.9
63.25312	1.0
69.03448	3.7
70.96014	1.0
71.01366	3.8
73.02946	1.7
85.02951	1.4
89.02443	2.1
101.02435	2.8
111.42284	1.0
113.02419	1.8
125.09707	1.4
151.11276	3.0
160.79530	1.0
161.09708	3.8
169.12305	2.6
179.10767	6.1
196.71844	0.9
197.11816	39.1
198.12061	1.2
223.09666	2.1
241.10817	1.8
253.09315	3.6
277.21716	47.5
278.22028	2.8
477.19717	1.1
526.00989	1.2
737.41113	100.0
738.41699	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	737.518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.7
61.98837	2.0
62.99525	0.3
66.00442	0.3
81.03456	4.5
82.06592	0.3
83.05025	15.3
105.69150	0.3
106.36942	0.2
107.06123	0.4
108.04545	0.8
125.07195	0.8
143.08205	0.4
151.47984	0.3
184.74797	0.2
207.14964	1.2
224.17616	1.9
225.16063	13.0
242.18672	0.6
243.32887	0.3
250.15466	0.3
293.60999	0.3
309.21786	0.9
324.26767	0.5
341.29062	0.9
367.26962	1.7
395.51935	0.4
398.68100	0.3
419.79938	0.3
420.86856	0.3
433.31927	0.9
444.07404	0.3
450.34296	1.1
451.32855	8.5
452.33243	0.4
550.43402	1.4
559.39349	0.5
593.44019	0.6
619.34015	0.3
659.48553	1.6
677.49640	100.0
678.49921	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	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98828	100.0
70.45525	0.6
72.50165	0.2
97.71869	0.2
101.02496	0.3
117.72910	0.2
140.75398	0.2
141.29411	0.2
147.72490	0.2
161.04721	0.3
222.72362	0.2
278.22104	0.3
331.18143	0.2
346.98798	0.2
397.13782	0.3
399.14050	0.5
405.34659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98828	100.0
62.98532	0.1
71.01397	0.3
79.10660	0.1
89.02493	0.1
101.02474	0.1
113.02463	0.1
125.02367	0.1
131.47234	0.1
198.44643	0.1
209.11815	0.2
211.13443	0.2
277.21609	0.3
278.22122	0.3
279.22424	0.1
280.22705	0.1
293.21323	0.1
397.13596	0.2
398.13879	0.3
399.13986	0.3
400.14209	0.1
417.15353	0.1
418.15463	0.1
456.85422	0.1
598.27710	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	739.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03281	0.1
59.01366	0.5
67.41270	0.1
71.01368	0.3
73.02974	0.1
79.95727	1.8
80.87205	0.1
82.60679	0.1
85.02956	0.1
89.02439	0.2
95.27548	0.1
96.96005	100.0
97.95943	0.3
98.95596	0.5
98.96423	0.1
101.02453	0.3
101.96011	0.1
113.02415	0.1
125.02424	0.8
139.04129	0.1
167.03525	0.3
169.01511	0.2
177.01904	0.2
178.02209	0.1
179.05646	0.2
257.36371	0.1
259.02789	47.0
260.03027	1.7
261.04544	0.7
271.87289	0.1
396.15515	0.1
531.32892	0.1
577.28497	0.2
581.58936	0.1
739.33618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01372	0.6
67.43051	0.2
69.03453	1.1
81.03460	1.3
83.01387	0.4
97.02953	1.2
105.03469	0.3
107.01412	0.5
109.02953	0.5
111.04554	0.5
113.02448	0.2
123.00883	0.5
124.01667	0.8
125.02444	51.1
126.02802	0.8
137.02452	1.4
139.04042	0.9
149.02448	0.4
161.02448	3.7
164.01167	0.3
165.01938	1.1
167.03522	1.2
169.01421	100.0
170.01765	2.4
177.05513	0.6
179.03471	0.6
193.01418	1.4
201.05653	0.2
219.06638	0.6
221.04477	0.4
229.01271	0.2
261.07446	0.3
269.04514	1.1
281.06689	0.3
287.05569	2.3
305.06677	5.0
309.28748	0.2
319.04691	0.4
325.72763	0.3
331.04553	1.6
452.60831	0.2
457.07748	15.6
458.08109	1.0
518.20972	0.2
743.80927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38852	0.9
57.03452	1.9
58.49255	0.8
58.73078	1.0
59.01379	39.8
59.44971	0.9
61.98822	2.6
69.53215	2.8
69.53613	1.3
71.01382	17.7
73.02944	7.1
78.64618	1.0
83.01383	1.7
85.02951	5.3
87.00879	2.2
87.04549	1.2
89.02446	15.5
96.96002	3.5
99.00857	1.2
101.02441	11.4
101.12669	1.1
103.04004	2.2
104.86772	1.0
108.02180	1.1
109.02944	8.9
113.02440	4.6
115.03996	1.1
119.03516	3.7
122.62778	1.0
125.02430	8.7
127.81517	1.0
143.03511	2.5
153.01913	4.4
159.04521	2.4
161.02448	3.0
161.04541	1.1
163.06081	10.9
169.01445	2.8
172.05267	2.0
173.05978	3.1
177.01849	1.6
179.05580	2.5
187.07565	1.2
188.04526	1.1
189.05612	1.1
205.07082	2.4
228.47702	1.1
241.05061	4.3
255.06737	1.9
265.09058	1.3
268.07416	1.3
275.13266	1.2
281.08221	1.9
283.09720	1.8
287.05579	2.3
293.08514	1.3
295.09808	3.8
296.10544	1.9
299.09317	1.9
305.06778	1.5
305.10767	1.6
311.09128	5.3
313.10831	5.3
317.78204	1.0
323.88513	1.0
325.10712	1.3
326.11465	6.8
329.10239	1.8
341.13815	8.7
343.11996	1.3
343.63586	1.2
344.12637	14.9
359.15002	40.7
359.19492	2.5
360.15363	2.2
433.14029	2.2
473.18088	12.6
474.19238	1.2
491.19220	100.0
492.19714	6.2
533.20190	5.3
635.23224	3.3
679.31964	3.0
695.25897	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	739.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
57.44334	0.5
59.01373	4.6
62.48493	0.5
65.75885	0.5
69.18200	1.1
69.18594	2.5
71.01367	2.3
83.01367	1.2
85.02950	1.0
89.02440	2.4
96.96004	4.8
101.02439	1.7
109.02953	0.7
110.03767	0.7
113.02422	1.4
116.92838	0.6
122.03717	0.9
124.01678	0.8
125.02450	6.5
126.02737	0.7
126.41225	0.5
131.06923	0.5
137.02425	2.4
138.03206	1.6
151.00360	1.0
151.96762	0.5
152.01147	1.2
153.01917	0.9
153.24684	0.5
161.04579	0.6
165.01903	0.9
166.02678	2.1
167.03419	1.2
169.01367	0.9
177.01889	1.3
179.05597	1.0
180.04276	1.0
207.13908	4.9
215.07176	0.7
223.13348	7.5
235.13379	28.9
236.13728	1.5
237.14909	0.9
243.06590	0.5
251.12863	100.0
252.13377	7.6
253.14400	2.0
259.06076	9.6
260.06598	0.8
263.12778	0.4
265.14420	2.8
287.05606	10.1
288.05899	1.0
293.13867	1.2
367.01193	10.2
368.01514	0.8
397.18610	3.7
413.18127	12.3
414.18875	9.0
415.19604	5.0
444.48129	0.5
576.24225	21.7
577.24823	25.1
578.25256	3.1
628.14362	0.6
663.82532	0.6
739.30768	11.2
740.30853	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43913	1.4
55.01862	1.3
57.03428	1.8
58.00573	1.3
59.01379	68.6
61.98823	3.7
69.03466	3.4
69.43124	6.1
71.01382	53.5
71.86361	1.2
73.02948	15.7
81.03442	1.5
83.01394	4.3
85.02955	13.8
87.00867	6.9
89.02442	59.5
95.01402	4.2
96.96034	1.4
97.02961	5.7
99.00912	3.6
101.02441	51.7
109.03030	1.6
113.02442	25.3
119.03497	23.5
122.03767	3.0
125.02446	60.6
127.04412	1.3
131.03467	8.5
139.04012	1.8
143.03523	11.1
149.04532	1.9
161.04552	23.5
167.03485	3.3
178.10014	2.2
179.05606	100.0
193.12361	4.6
203.52795	1.2
221.06636	25.6
223.06129	1.2
281.08762	2.9
323.09668	3.4
341.10754	7.2
367.10123	1.6
383.11914	12.1
387.07471	1.4
407.12030	4.1
425.13135	5.9
485.15143	24.7
515.41394	1.5
679.28351	2.6
703.30023	1.7
739.30078	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	739.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.6
61.98828	100.0
62.98568	1.2
71.91694	1.3
72.69338	1.4
73.78404	1.3
77.91797	1.4
80.96506	2.3
82.95416	17.3
88.98803	2.2
89.02427	3.2
96.95941	1.6
101.02457	2.1
102.46855	1.3
109.88311	1.3
113.02475	1.8
125.02441	2.0
169.01497	2.0
209.11734	8.1
211.13411	2.9
218.79160	1.4
225.11346	3.0
227.12901	2.3
450.96005	1.6
461.19958	1.6
566.04321	1.4
653.31555	4.7
671.32642	2.6
739.33093	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	739.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03438	0.6
59.01372	4.8
60.99306	1.1
61.10631	0.3
66.52708	0.3
69.62141	1.2
69.62486	0.5
71.01380	12.0
72.99302	4.0
73.02947	1.9
79.51261	0.3
81.03483	0.5
83.01384	1.3
83.05045	1.8
84.02180	0.4
85.02943	0.3
87.04505	0.5
95.05040	1.9
96.96011	9.9
97.02972	0.4
97.06588	10.2
99.00887	0.8
99.04505	1.1
99.08139	1.1
101.02440	3.4
101.06094	0.7
107.05012	0.5
109.06584	4.0
111.04517	0.6
112.05243	0.4
113.02518	0.5
113.06096	0.4
114.58149	0.4
115.07637	0.5
125.02433	0.4
125.06064	1.3
125.09715	0.7
127.00308	0.4
127.07673	3.5
127.11311	0.6
135.08165	3.1
137.09721	14.1
143.67911	0.4
151.07651	0.9
153.05605	1.1
153.09175	1.0
155.10768	1.4
163.07643	2.8
171.06622	6.6
179.07166	1.0
181.08699	6.1
197.08113	1.7
199.09776	2.3
225.07680	1.9
233.47408	0.4
243.08725	100.0
244.09096	2.6
259.02808	3.6
261.04303	1.2
275.11356	81.1
276.11661	2.1
307.13916	0.9
574.55157	0.4
739.33813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93935	2.1
59.01378	33.0
64.92956	2.0
65.56464	2.2
71.01373	17.8
71.44548	2.3
73.02967	4.7
89.02443	21.0
99.00831	2.9
101.02427	17.8
101.45620	2.2
113.02436	6.8
119.03522	5.0
125.02420	7.7
129.41937	2.8
141.96400	2.1
149.89157	2.5
161.04579	2.8
179.05554	2.5
216.24594	2.2
235.08168	7.2
281.24829	64.6
282.25195	4.0
305.08676	2.9
397.13480	100.0
398.13876	4.6
415.14511	27.9
556.54376	2.9
653.01398	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	739.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99308	1.4
57.49794	1.5
59.01378	39.5
66.16935	1.6
69.03418	1.8
71.01376	23.7
73.02940	4.3
83.01348	3.2
85.02952	3.6
87.00861	3.2
89.02451	21.3
95.01381	3.8
97.02936	4.4
99.00899	1.9
101.02438	19.9
113.02432	6.2
119.03503	5.5
125.02450	10.4
134.06065	1.4
137.02438	1.9
143.03519	4.2
161.04558	3.0
179.05574	3.4
208.31921	1.7
226.94333	1.5
235.08224	9.0
237.15001	1.5
246.38506	1.5
253.09322	2.9
265.14459	8.4
281.24847	80.9
305.08762	3.4
306.94177	1.7
397.13467	100.0
398.13651	2.0
415.14563	29.0
451.28409	10.1
467.19244	3.0
473.26578	9.7
474.27283	1.9
474.84103	1.9
679.39209	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05825	1.0
57.03450	1.1
59.01382	10.9
61.98825	1.3
62.28841	1.0
65.18864	0.9
69.55152	3.4
71.01372	7.4
71.05013	2.6
73.02943	1.4
74.47713	0.9
75.40830	1.0
78.95886	1.3
83.01381	1.4
83.05073	1.0
85.02955	2.3
89.02445	3.0
95.01387	0.9
96.95981	1.7
97.02942	3.7
97.06556	1.4
99.00870	10.3
101.02450	4.0
102.25002	1.0
106.01558	1.0
109.06576	1.3
111.38724	0.9
113.02440	2.4
125.09703	5.0
141.01675	2.0
163.11301	6.6
171.10263	16.5
181.12314	12.2
187.30646	1.0
197.11852	1.9
199.13393	22.4
201.11324	1.1
207.10239	31.1
211.13344	1.5
225.11308	56.4
226.11771	1.4
230.50349	1.1
235.08215	1.9
243.12344	12.6
253.09227	5.1
275.76099	1.0
277.21716	49.4
278.21973	2.3
281.24890	1.4
281.32401	1.0
397.13318	1.2
461.20212	9.6
479.21173	1.4
695.93042	1.2
721.41779	4.2
739.42719	100.0
740.42773	5.7
760.31171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01376	8.3
65.87020	1.0
69.70052	0.9
70.75093	1.1
71.01363	4.8
71.05008	1.8
73.02914	1.2
78.95862	1.4
82.33935	1.1
83.01378	1.5
85.02937	2.2
87.00887	1.5
89.02445	4.0
97.02950	2.7
97.06561	2.1
99.00868	9.9
101.02441	3.2
109.06577	1.3
110.03723	1.1
113.02485	2.0
118.26614	1.4
123.08128	1.3
123.95956	0.9
125.09757	6.0
163.11301	8.0
171.10275	9.0
181.12346	12.4
199.13380	12.1
207.10258	25.7
207.12289	1.3
211.13255	1.6
225.11327	39.6
226.11580	1.6
235.08255	1.6
243.12340	6.4
253.09268	5.0
277.21716	66.4
278.22040	2.9
282.54257	1.3
291.19791	1.2
293.21548	1.2
318.16510	1.0
327.08810	1.1
348.91986	1.2
443.18915	1.7
461.20490	5.3
571.59839	1.2
721.41705	5.0
739.42688	100.0
740.42993	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	739.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
109.02853	2.0
124.01643	3.8
134.03651	0.7
137.02451	6.3
138.03249	3.5
139.03876	1.2
150.03214	0.6
150.30368	0.5
151.03886	1.6
165.05527	0.6
167.03505	7.1
168.04141	0.8
193.08748	0.6
207.10086	0.8
209.78055	0.5
219.10187	0.6
261.15039	0.6
291.15948	1.2
299.78372	0.5
304.16864	0.9
304.20413	19.8
305.21213	35.3
306.21445	1.5
327.96729	0.5
333.20682	12.2
334.21469	100.0
335.21838	4.8
345.45456	0.6
347.22260	71.8
348.22464	4.4
349.19174	0.5
376.22498	12.0
377.22620	0.9
384.57178	0.5
391.24893	61.7
392.25247	4.3
418.82031	0.5
629.88354	0.6
683.98151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06491	0.2
59.01377	0.8
61.98827	100.0
62.89390	0.2
71.01372	0.4
71.44875	0.2
89.02460	0.4
95.57169	0.2
101.02436	0.4
101.95390	0.2
116.92892	0.2
164.04388	0.2
169.01387	0.2
203.05919	0.4
209.11809	1.2
210.12231	0.3
211.13406	0.7
227.12872	0.3
246.59010	0.2
253.09406	0.2
279.23178	0.3
280.23633	0.5
281.24008	0.3
293.21164	1.0
294.21585	0.6
342.45697	0.2
343.13016	0.6
397.13184	0.2
398.14069	0.2
399.14066	0.4
400.14276	0.2
415.14667	0.2
487.55182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
59.99216	0.2
61.98828	100.0
62.45401	0.2
71.01387	0.2
73.08211	0.2
89.02476	0.2
98.45456	0.2
120.64909	0.2
125.02434	0.2
193.61241	0.2
234.53705	0.2
276.11963	0.2
279.23401	0.3
280.23618	0.4
281.24179	0.2
295.87387	0.2
397.13666	0.2
398.14035	0.3
399.14169	0.4
400.14557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98828	100.0
62.98536	0.1
67.60264	0.1
69.48278	0.3
69.48689	0.2
83.05042	0.2
84.04320	0.1
89.02480	0.1
98.22609	0.2
106.13990	0.1
169.01508	0.1
197.96445	0.1
226.16454	0.1
280.07852	0.1
342.99332	0.1
678.50604	0.3
679.50592	0.5
680.50580	2.3
740.49182	2.4
741.49908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
59.78414	0.8
69.51530	3.0
71.01379	1.3
72.60936	0.7
74.75968	0.9
78.95926	0.9
96.96009	3.3
123.04490	0.8
125.02455	2.0
125.91429	0.7
135.04494	1.1
137.02420	1.2
137.06044	1.9
137.09776	0.9
138.03226	3.4
139.03970	3.6
147.08168	0.9
151.03978	2.6
152.04758	3.7
153.01912	1.8
163.07617	4.1
164.04781	5.3
165.09158	3.5
166.02750	1.6
167.03397	1.4
173.06084	1.7
175.07639	3.7
176.04698	1.1
177.01906	1.3
177.05502	2.1
177.09131	0.9
178.06322	2.5
181.08585	1.0
185.46394	0.8
191.07126	27.9
192.07480	1.2
193.08682	50.2
194.09003	1.7
209.08127	2.2
219.06453	1.1
221.08017	1.4
235.06244	1.2
237.07658	57.5
238.08015	1.4
239.05498	1.0
239.09203	1.4
253.07152	100.0
254.07648	7.7
267.08713	2.2
279.08649	1.3
295.08344	1.6
399.13034	9.8
415.12527	1.4
416.13034	3.8
417.13907	1.3
578.18353	9.5
579.19257	50.2
580.19702	3.7
608.48907	1.0
741.24536	16.8
774.73688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19852	0.8
57.03454	1.1
59.01374	8.2
59.10357	0.8
61.89070	0.9
71.01368	3.7
71.43553	1.0
88.19420	0.8
89.02456	6.9
96.96008	5.2
101.02420	3.9
111.00913	1.1
113.02425	2.6
119.03484	2.6
125.02449	2.4
137.02448	16.4
138.03151	1.4
139.00311	2.9
149.06128	0.9
151.07608	2.0
159.61937	0.9
159.98567	1.1
161.06053	1.6
165.01929	2.0
167.03494	1.2
176.04733	1.3
177.02008	0.9
177.05559	10.0
178.06346	88.6
179.05626	1.6
179.07095	14.3
193.08687	45.3
194.05836	8.5
194.08992	2.0
195.06578	1.9
198.55315	1.2
222.05263	1.0
223.06075	11.2
224.06482	1.0
236.06876	1.2
237.07652	26.1
238.04799	3.1
239.05589	48.8
240.06348	15.5
241.06706	1.1
253.07164	14.3
254.07863	3.0
255.08710	3.6
276.62195	0.8
281.06537	2.0
393.58926	0.9
399.13010	1.6
402.11694	2.3
413.09375	1.0
416.13049	4.6
417.13977	28.6
418.14481	1.1
579.19293	100.0
580.19421	7.1
741.24695	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	741.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.3
59.45936	1.6
61.98816	6.3
69.50137	6.7
69.50483	2.9
71.01369	2.9
82.95428	2.5
83.05016	2.0
84.95127	5.4
85.00414	5.5
98.41200	1.5
99.19813	1.6
101.02476	2.2
104.48443	1.6
125.02451	1.9
166.43831	1.6
171.10278	6.1
207.10300	2.1
209.11830	100.0
210.12103	4.8
225.11311	3.8
227.12895	25.9
235.08228	4.4
243.57329	1.6
253.09245	5.6
445.20685	11.6
625.28864	2.5
637.31464	2.8
697.37628	1.9
741.34656	33.5
742.34833	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.383
Annotation	Unknow
Peak:m/z	Relative Intensity
68.13635	23.9
162.84303	18.4
195.69366	19.8
211.13383	100.0
225.54013	19.7
291.86191	21.2
353.03864	21.9
397.17404	20.0
443.78793	22.6
647.24878	25.1
741.38794	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81988	0.8
55.01853	1.0
57.03462	1.1
59.01377	36.5
59.71173	1.1
69.03448	1.4
71.01373	22.9
72.99279	1.1
73.02947	4.5
81.03444	1.4
83.01406	1.7
85.02939	6.0
87.00864	5.9
89.02439	22.8
95.01379	2.4
97.02958	4.1
97.70664	0.8
98.31386	0.8
98.40453	0.9
99.00884	2.0
101.02438	20.7
111.04491	1.2
113.02445	9.1
119.03516	6.3
119.34661	1.0
125.02434	10.7
131.03531	1.3
143.03520	4.2
161.04558	4.5
171.10181	1.4
172.53192	1.0
179.05614	5.4
207.10341	1.4
209.11784	2.8
221.06706	1.1
222.12856	0.8
225.11339	1.8
235.08232	8.5
237.50781	0.9
253.09242	2.7
277.21814	1.2
279.23267	3.8
283.26404	68.9
284.26724	3.1
287.07657	2.2
305.08752	4.9
323.09909	1.3
397.13470	100.0
398.13913	6.1
415.14523	26.1
415.20142	1.4
416.14828	1.3
427.40842	1.1
681.40399	5.8
741.43872	1.6
762.90204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46547	0.5
59.01382	1.5
61.98829	100.0
71.01399	1.1
73.29129	0.7
75.37669	0.5
93.35186	0.6
101.02446	0.7
108.86105	0.6
125.02512	0.7
127.58502	0.6
142.67418	0.6
145.95674	0.6
148.47701	0.6
180.79143	0.6
189.91248	0.6
201.11331	3.8
202.11714	1.1
209.11812	9.5
210.12045	3.0
219.72112	0.7
221.00186	0.7
222.49098	0.6
227.12933	1.8
235.08273	1.5
253.09351	1.7
277.21735	13.4
277.24637	1.0
278.22025	9.2
292.68146	0.6
361.56900	0.7
544.69287	0.8
550.23889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98829	100.0
64.78401	0.2
69.74093	0.8
71.01379	0.4
78.80925	0.2
96.14937	0.2
106.39455	0.2
113.07684	0.2
125.02457	0.3
128.96758	0.2
138.02563	0.2
163.15082	0.2
200.40355	0.2
254.58194	0.2
265.14447	0.4
268.27777	0.3
281.25067	0.3
282.25348	0.4
328.83911	0.2
332.53781	0.2
332.76898	0.2
339.63062	0.3
358.30881	0.2
398.13763	0.2
399.14261	0.3
513.57196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78252	0.2
59.01373	0.3
70.35062	0.2
79.95702	1.7
95.95193	0.9
96.96004	45.9
98.21777	0.4
102.92059	0.2
107.80180	0.2
109.02928	0.4
122.03760	0.2
125.02446	2.2
133.31866	0.2
137.02431	0.4
139.11307	0.2
153.01904	0.6
161.02391	0.4
165.02243	1.6
167.03525	0.2
169.01402	0.2
177.01878	0.9
181.05058	0.4
183.10237	5.7
203.04004	0.2
206.02025	0.2
219.06949	5.7
223.06184	0.2
225.11250	0.2
235.06790	0.2
243.02928	0.4
245.04897	1.7
257.13733	0.2
261.00809	0.4
261.04126	0.3
263.05920	100.0
264.06262	3.9
271.11847	0.5
287.05740	0.4
423.07291	0.2
575.11993	0.3
761.40112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02257	0.7
54.13829	0.7
57.03446	14.1
59.01379	8.0
71.01363	1.4
71.42841	0.8
81.03445	1.1
83.01383	3.0
85.19262	0.6
89.35780	0.6
90.54469	0.6
93.03445	2.0
95.05042	1.2
105.03445	3.2
107.05014	2.2
108.02169	2.6
109.02946	4.7
113.02448	0.6
119.04970	0.7
120.24815	0.6
121.02934	4.4
122.02489	0.7
124.01627	0.9
125.02441	100.0
126.02757	1.6
131.05037	2.2
133.02966	4.6
134.84740	0.7
135.04538	1.1
137.02438	13.4
138.01967	12.3
139.02322	1.5
139.04018	1.5
143.05003	0.9
145.02957	1.7
147.00827	1.1
147.04553	1.0
149.02435	7.5
150.03159	0.7
151.04002	10.8
155.05080	1.0
159.04503	1.7
161.02446	19.5
161.06128	1.2
162.02985	0.9
163.00372	5.2
163.04019	2.6
164.01138	2.1
165.01907	3.3
167.03482	2.7
169.01419	1.9
169.06586	0.7
173.02406	0.7
173.06111	1.5
175.00427	3.5
175.03987	17.4
176.01106	1.4
176.04408	0.8
177.01918	84.5
178.02304	2.7
183.04526	2.2
187.04045	2.4
189.01978	1.7
190.02669	1.1
191.03494	2.8
193.05157	3.4
197.06107	1.4
199.03989	6.5
201.01909	3.3
201.05557	3.2
203.03508	2.5
203.54652	0.7
211.03955	0.9
215.03523	2.2
217.05026	12.0
219.02980	6.0
219.06689	1.0
223.05850	0.7
225.05627	1.8
227.03488	3.7
229.01440	4.2
229.04965	3.5
241.05128	1.8
242.02388	0.7
243.02968	27.9
244.03453	0.9
245.04497	1.9
253.05057	1.7
255.02992	6.0
256.03690	1.3
257.04620	1.3
261.03958	6.9
267.03052	1.4
269.04532	7.9
271.06137	2.4
273.04102	4.3
273.07544	1.1
283.02585	1.8
285.04044	2.5
287.05569	14.2
289.07233	1.6
295.06033	0.9
297.04062	1.8
299.05569	0.9
301.03516	7.0
303.05002	7.9
313.03577	2.9
315.05133	1.0
323.05859	0.8
327.05081	2.1
337.07190	1.2
374.65454	0.8
379.08319	2.4
387.05243	2.1
389.06705	2.0
391.08395	0.8
391.67761	0.7
405.06110	14.1
406.06586	0.7
407.02536	0.8
407.07516	4.0
423.07202	26.9
424.07718	1.9
439.05688	1.0
439.10541	2.6
441.08185	1.0
452.07651	1.0
453.08109	1.7
465.08450	4.9
513.74982	0.7
557.11066	5.5
558.12543	0.8
573.10333	0.8
575.12146	7.9
576.12152	1.0
591.11566	6.2
592.12256	0.7
604.82263	0.7
617.12921	1.3
743.16748	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	743.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84792	0.4
52.23018	0.4
57.03454	0.7
59.01380	2.6
71.01373	1.2
83.05029	0.5
85.02938	3.8
87.00862	0.7
95.05010	0.8
96.95967	0.5
97.06585	1.7
98.03719	0.6
99.00866	2.4
103.59624	0.4
105.60614	0.5
107.05020	1.1
109.06590	1.1
111.00887	1.1
112.98864	0.5
113.02441	0.6
119.03445	0.5
119.04950	0.7
121.06566	2.2
123.00884	1.1
123.04489	0.8
123.08118	0.7
124.01635	1.4
124.98810	1.0
125.02473	2.5
125.05991	0.5
133.06599	0.6
136.01649	0.7
137.06099	2.7
139.00368	4.3
139.07631	2.1
140.01163	1.0
141.01939	1.6
147.04527	0.9
149.06067	3.2
149.28531	0.5
151.07622	0.9
152.01163	0.7
153.01909	4.1
153.05548	0.8
154.02704	3.4
155.07135	3.1
159.04546	0.7
161.02396	0.4
163.07649	0.6
164.04796	0.7
165.05571	11.9
166.02718	1.3
166.05978	0.7
166.99869	1.2
167.03465	0.7
167.07095	1.3
168.00665	0.6
169.01436	1.3
170.02176	0.6
175.04015	3.4
177.05551	12.5
179.03499	1.1
179.07104	0.7
181.01410	1.0
181.05049	2.8
183.06586	0.6
192.04225	0.6
193.05052	19.5
194.05785	3.0
195.06602	10.7
199.06149	4.2
209.04546	4.5
210.05296	2.0
211.06099	4.0
219.06639	1.6
221.04498	2.2
225.04030	4.0
226.04810	1.5
227.05592	29.0
228.05850	0.9
237.03987	3.3
238.04823	2.6
239.05595	31.6
240.05949	1.6
243.09824	0.5
249.01640	0.5
253.03537	5.5
253.07243	0.5
254.04294	4.1
255.05080	100.0
256.05576	4.4
269.06720	0.5
297.06213	0.9
305.80328	0.5
312.34216	0.5
345.08029	0.6
363.45441	0.6
364.84152	0.5
376.77014	0.5
401.10864	16.9
417.10309	6.4
418.11063	3.1
485.92487	0.5
498.66351	0.5
563.16113	37.2
564.16406	1.8
580.16492	11.2
581.17242	9.8
628.64728	0.6
743.22479	51.9
744.22748	4.7
773.60999	0.6
774.47644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83256	7.1
56.30175	6.3
59.01380	79.1
61.98825	36.9
62.05476	6.2
62.69852	5.9
69.28399	39.9
70.14630	6.5
71.01369	17.0
81.03560	7.8
82.95419	84.9
87.00935	7.1
89.02428	8.7
96.96009	8.7
103.01482	27.6
103.25513	6.4
121.35578	7.9
171.10233	16.5
197.11833	78.1
199.13405	10.4
201.11378	8.7
207.10255	10.2
209.11819	100.0
211.13361	51.0
216.91367	8.3
225.11235	22.8
227.12856	30.2
235.08194	8.5
253.09364	21.3
445.20718	13.6
607.32190	9.3
625.32117	12.2
639.35870	11.7
743.36438	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	743.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09681	36.6
56.72215	37.0
65.48771	31.1
84.95467	30.6
86.11490	29.5
111.04893	32.3
129.35245	36.7
153.57828	31.9
157.49440	31.3
209.11761	81.3
255.23293	100.0
281.24823	59.8
365.01083	43.2
476.09122	35.1
493.71457	36.6
578.47778	40.4
773.00177	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	744.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.8
60.26793	1.2
61.98836	5.7
69.03436	1.5
69.31259	3.8
71.01383	3.4
71.42503	1.0
72.91298	1.0
74.35767	1.2
82.95419	4.8
83.05006	4.0
84.95104	1.4
85.00446	3.7
89.02405	1.7
89.56489	1.1
95.05028	1.7
98.21860	2.4
101.02441	3.6
103.01488	1.7
113.02454	1.7
128.88258	1.1
129.16898	1.1
132.64990	1.1
161.04572	1.9
163.11272	3.5
171.10207	3.1
174.87390	1.4
179.14343	1.5
195.13904	5.1
205.12349	7.2
209.11824	100.0
210.12172	3.2
211.13382	1.9
223.13393	74.5
227.12872	18.1
235.08238	4.3
253.09280	10.0
253.57605	1.1
261.15015	2.1
336.57977	1.0
441.21246	2.3
445.20932	7.0
459.22366	11.7
490.83817	1.1
633.33136	2.0
651.33942	7.9
746.40912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	10.4
59.01370	1.1
69.03456	0.9
69.43666	0.9
81.03467	1.5
83.01369	4.4
90.24507	0.9
93.03458	2.6
93.56602	0.8
95.01384	2.2
96.08459	0.8
96.95963	1.3
97.02954	2.6
105.03426	1.9
107.05019	1.3
109.02948	12.4
110.55889	0.8
111.04518	2.0
114.25497	0.9
121.02943	6.4
123.00889	2.9
123.04532	6.7
123.91233	0.9
125.02441	100.0
126.02785	2.5
131.05023	1.6
133.02956	3.5
135.04526	1.7
137.02452	15.9
139.04004	5.4
145.03024	1.1
149.02454	7.5
150.02959	0.8
151.03986	12.0
153.01990	1.8
159.04523	1.4
161.02451	12.2
161.06068	2.2
162.03189	1.8
163.00444	4.4
163.01636	0.9
163.04001	3.9
164.01132	3.1
165.01901	6.5
167.03506	10.2
169.01399	13.9
174.03232	1.0
175.00299	1.4
175.03987	13.5
176.01158	1.8
177.01920	75.8
178.02248	3.0
179.03490	3.9
185.06020	1.8
187.04001	5.7
188.04742	1.0
189.01942	1.5
189.05554	1.5
191.03502	2.6
193.01349	1.7
193.05011	2.0
197.04422	1.1
199.03996	4.5
201.01907	0.9
201.05573	2.6
203.03506	3.0
203.07118	2.9
204.04181	1.4
205.01411	1.2
205.05025	3.1
211.04091	1.0
213.01709	1.2
213.05540	1.4
215.03485	2.2
217.01401	1.5
217.05038	7.0
219.02940	3.5
219.06525	2.3
221.04543	1.7
225.05704	1.2
227.03477	3.7
227.07121	1.4
228.04337	1.2
229.01260	1.1
229.05040	3.0
231.02937	2.8
241.05075	2.1
243.02899	13.1
243.06557	1.7
243.08635	2.6
244.03470	2.0
245.04485	2.6
245.08179	5.2
255.02966	12.9
256.03613	4.4
257.04541	4.0
259.05984	1.2
261.04068	5.9
269.04532	4.6
271.06165	2.2
273.04208	4.9
281.04565	2.4
283.02490	4.5
285.04065	12.9
287.05530	7.8
289.04074	0.8
289.07132	18.8
297.04150	4.7
299.05563	1.1
301.03577	2.7
303.05103	13.0
305.06693	13.8
313.03485	1.6
315.05093	2.1
319.04306	1.2
326.11996	0.9
374.48389	0.9
379.08273	1.1
381.09631	1.1
405.05951	4.3
407.07678	33.8
408.07773	2.2
417.10223	2.5
423.07147	35.5
424.07553	2.6
425.08704	11.5
437.08698	3.5
441.08249	8.8
449.08768	4.8
453.07971	3.1
457.07581	1.2
465.08234	3.7
467.09598	5.3
483.09152	2.5
541.07269	1.1
559.08710	4.3
575.12085	5.0
577.09723	3.4
591.11096	5.1
593.13159	12.9
609.12506	5.3
610.12903	1.2
619.11182	1.2
745.13898	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	745.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	12.3
61.55850	0.9
69.03429	1.3
69.47713	2.0
69.48093	2.0
81.03436	2.1
81.34462	0.8
83.01383	3.4
84.53590	0.9
93.03431	2.0
95.05006	0.9
97.02927	2.1
98.86347	0.8
105.03410	1.0
107.05012	1.0
108.02209	1.1
109.02936	14.2
114.77720	1.0
121.02933	5.3
123.00893	1.5
123.04514	7.5
124.01703	1.0
125.02440	87.4
126.02777	1.5
133.02959	2.7
135.04494	3.4
137.02435	15.7
139.03990	1.7
143.04890	0.9
145.02946	2.8
147.04607	0.9
149.02458	9.0
151.03995	8.1
159.04530	4.7
160.05299	1.0
161.02376	2.7
161.06032	3.8
163.00351	4.1
163.03996	2.5
164.01117	3.0
165.01877	3.2
167.03444	2.7
169.01410	14.6
174.03241	1.2
175.00307	3.3
175.03979	7.2
175.07664	0.9
176.01070	1.2
177.01921	78.5
178.02266	1.9
179.03493	2.9
185.06029	2.8
187.03978	5.7
188.04724	1.9
189.01917	1.6
190.02739	1.1
191.03462	2.1
193.01320	1.9
199.04062	2.5
201.05540	2.2
202.06432	1.2
203.07127	6.4
205.04990	5.4
209.06010	0.9
213.05591	1.3
215.03351	1.3
217.05037	3.0
217.37616	0.9
219.02983	1.4
221.08270	1.2
225.05365	1.6
227.03439	2.8
227.07108	1.8
228.04175	1.2
229.05058	2.6
243.02940	9.8
245.08163	9.3
253.04857	2.1
255.02975	12.1
256.03705	6.0
257.04449	2.4
261.03958	3.9
269.04535	2.3
271.06104	10.4
273.04138	1.9
281.04462	2.7
283.02374	3.1
284.03262	1.2
285.04065	5.5
287.05536	1.2
289.07166	48.6
290.07458	2.7
297.04175	1.1
301.03644	1.6
303.05072	12.6
305.06473	1.0
315.04993	3.6
339.08755	2.0
377.06772	1.0
381.09695	2.0
384.55676	0.9
389.06638	6.7
407.07678	100.0
408.08020	5.2
423.06854	1.1
425.08783	3.8
441.08191	13.5
442.08798	1.4
449.08853	5.2
450.09546	0.9
467.09744	14.2
559.08948	7.2
575.11920	3.7
577.09515	5.1
593.13019	11.9
594.13141	1.5
619.10815	5.2
745.13715	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	745.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22083	0.6
57.03446	13.3
69.21964	2.9
70.40176	0.7
81.03456	1.6
83.01390	3.0
93.03463	2.5
95.05000	0.8
97.02972	0.9
101.30577	0.8
105.03436	3.1
107.01381	0.9
107.05038	1.6
109.02954	8.2
111.04531	2.2
121.02967	3.1
123.00885	1.5
124.01668	1.6
125.02444	100.0
126.02798	2.4
131.05000	2.1
133.02940	3.5
135.00928	0.8
137.02455	12.5
138.03162	0.8
139.04004	4.5
147.00772	1.3
147.04573	0.9
149.02451	7.0
149.06105	1.0
151.03998	10.2
151.05988	0.7
153.01904	2.7
156.54701	0.8
159.04514	1.9
161.02449	18.2
162.03204	1.5
163.00410	4.2
163.04008	1.9
164.01147	2.8
165.01930	6.2
167.03525	6.4
173.06070	1.1
175.00322	3.2
175.04002	16.2
176.01059	2.2
177.01923	77.5
177.05347	4.1
178.02242	1.9
179.03456	3.5
183.04498	0.8
187.04028	2.7
187.07518	0.9
189.01910	2.3
190.02788	0.8
191.03516	2.8
191.07198	0.9
193.05052	3.5
199.03993	5.4
201.01906	2.5
201.05553	3.2
203.03506	2.9
204.04408	0.8
213.05525	1.5
215.03516	2.3
217.05023	8.4
219.03061	3.6
219.06586	3.3
221.04538	1.9
225.05577	1.6
225.07677	1.5
227.03477	3.5
228.04184	1.5
229.01443	4.3
229.05029	2.6
241.05066	1.0
243.02965	15.0
243.06682	1.0
245.04561	1.2
255.02977	12.3
256.03735	3.4
257.04459	2.6
261.03992	7.0
261.06924	1.1
267.03171	0.9
269.04504	8.2
273.03995	2.9
283.02429	6.1
285.03992	2.7
287.05624	12.6
297.04053	4.8
299.05771	1.1
301.03467	6.9
303.05103	10.1
305.06656	20.9
306.06808	1.1
313.03625	2.1
315.05170	1.8
327.05020	1.2
355.08038	1.0
379.08286	1.6
387.05106	1.4
387.12878	1.3
405.06223	6.7
423.07196	77.3
424.07571	5.8
439.06528	1.4
441.08389	9.6
453.08301	2.0
465.08322	7.2
466.08435	1.1
483.09259	8.2
559.08685	3.9
573.10443	1.0
577.09760	5.6
578.09381	0.9
591.11285	8.7
592.11902	1.3
609.12311	10.2
619.10931	1.5
650.91290	0.9
745.14081	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	13.9
57.86592	0.8
65.38139	0.6
65.39784	0.6
66.07161	0.7
70.28111	1.7
76.86948	0.7
81.03447	0.9
83.01384	2.3
86.39294	0.8
93.03452	2.2
95.01395	0.7
95.04997	1.0
95.57798	0.7
105.03484	3.4
106.65504	0.6
107.05025	1.8
109.02940	6.6
111.04504	1.6
117.53593	0.8
121.02946	3.5
124.01650	1.0
125.02441	100.0
126.02773	2.7
131.05009	1.2
133.02962	4.2
137.02437	13.2
139.04007	2.9
142.87936	0.8
147.00917	1.5
147.04422	0.7
149.02472	4.9
149.06090	1.0
151.04013	10.6
159.04491	1.7
161.02432	22.4
162.03069	1.1
163.00410	4.6
163.04153	1.4
164.01157	3.1
165.01910	6.7
166.02618	1.1
167.03471	4.7
169.01471	3.4
173.06108	1.4
174.03212	1.3
175.00381	3.3
175.03999	18.0
176.01163	1.3
176.04350	0.8
177.01917	74.5
177.05379	3.7
178.02342	1.4
179.03528	1.6
183.04404	1.6
187.04015	3.4
189.01933	1.7
189.05644	1.0
190.02635	1.1
191.03510	3.8
193.05115	3.7
197.06058	1.0
199.03996	5.8
201.01941	3.2
201.05634	2.7
203.03520	2.5
205.05064	0.8
211.03998	1.6
213.05627	1.6
215.03561	2.1
217.05048	9.9
219.03033	5.0
219.06505	1.4
221.04601	1.5
225.05615	1.4
227.03493	4.2
229.01450	4.8
229.05106	3.0
233.04407	1.2
239.03548	0.8
241.04932	1.8
243.02946	24.9
243.06610	1.6
244.03583	1.7
245.04524	3.1
253.04930	1.0
255.02972	12.8
256.03693	3.0
257.04565	2.8
261.04050	8.7
267.03085	1.0
269.04541	10.7
273.04095	3.1
283.02438	4.5
285.04114	3.2
287.05579	16.2
288.06030	1.1
289.07388	0.8
297.04053	4.8
299.05756	1.1
301.03516	6.8
301.06631	1.0
303.05096	9.7
305.06628	11.4
313.03671	3.4
315.05176	1.7
327.05167	1.4
337.07187	1.6
361.06891	0.8
364.02060	0.9
379.08310	2.9
387.05084	2.6
393.06226	2.8
395.07410	1.1
405.06140	11.1
406.06253	1.0
407.07690	2.2
423.07193	75.2
424.07626	5.4
430.59796	0.7
439.06555	2.1
441.08148	7.8
442.08215	0.8
453.08401	2.5
457.08130	1.2
465.08188	7.5
483.09454	2.1
559.08704	6.6
573.10706	1.2
577.09967	8.7
591.11475	7.5
592.11536	0.8
593.13086	1.4
609.12628	4.4
619.11456	2.4
745.13470	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	745.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.5
59.01380	2.0
60.93817	0.7
70.58804	0.9
73.02893	0.8
74.17935	0.7
81.03471	1.1
83.01406	2.2
93.03513	0.7
97.02923	0.8
105.03464	1.7
107.05023	1.2
109.02959	5.0
111.04517	1.2
112.81546	0.7
121.02969	1.0
123.00878	1.4
123.04533	1.1
124.01649	1.7
125.02448	100.0
126.02779	1.9
133.02962	2.4
135.04507	1.0
137.02444	12.0
139.03998	4.8
139.04971	0.7
140.08026	0.7
149.02437	2.2
151.04013	7.1
159.04500	1.7
161.02443	29.8
162.02997	1.2
163.00366	1.3
163.04086	1.6
164.01146	3.5
165.01901	6.8
167.03546	5.0
169.01430	23.7
174.03296	1.0
175.04016	11.2
177.01938	14.9
177.05580	3.0
179.03496	3.3
183.04524	1.1
187.03999	1.5
193.01410	2.2
193.05067	1.7
199.04002	2.7
201.01903	1.3
201.05597	2.8
202.73270	0.8
203.03502	3.2
213.05507	0.9
215.03510	1.5
217.05035	6.8
219.02936	2.6
219.06593	3.7
221.04543	2.0
225.05603	2.2
227.03531	3.6
227.09204	0.9
227.50432	0.8
229.01381	4.8
229.05072	1.0
243.02971	9.9
243.06616	1.8
245.04524	6.9
255.02974	6.7
256.03677	1.5
257.04456	1.3
261.04025	2.6
261.07706	1.6
269.04572	11.0
273.04147	1.4
283.02411	4.3
285.04041	3.6
287.05597	19.4
289.07260	1.1
297.03955	2.9
299.05652	1.3
305.06659	22.1
306.06839	1.0
321.06213	1.5
331.04321	1.0
345.06165	0.9
355.20560	1.0
355.25079	0.8
361.07480	0.9
379.07938	1.1
387.04907	1.5
405.06152	5.1
407.07584	1.9
423.07196	46.2
424.07339	3.6
425.08786	3.3
431.07739	1.6
441.08322	2.1
449.08817	4.7
457.07681	5.3
467.09793	6.1
468.09900	0.8
473.07202	1.7
575.11920	8.0
576.12646	0.9
593.13165	11.8
593.84302	0.9
619.10657	1.5
745.14178	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	745.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91740	0.2
57.59987	0.2
59.01376	100.0
60.01701	0.3
61.98823	0.4
64.59497	0.2
66.99857	0.2
69.82218	0.2
70.66537	0.4
89.30544	0.2
103.01493	74.4
104.01849	0.3
208.89517	0.3
476.48795	0.2
481.14923	1.1
482.15723	0.5
495.16736	0.4
497.18460	0.4
513.46332	0.2
540.16260	0.6
555.18860	3.4
556.18921	0.3
572.14844	0.5
620.14227	0.2
641.22046	1.2
659.23053	0.9
701.24799	3.0
702.24487	0.3
745.24866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10010	0.3
54.10292	0.2
57.03441	1.9
61.44695	0.3
69.03456	1.0
69.37003	1.2
73.63037	0.2
78.60786	0.3
79.01928	0.5
81.03458	1.3
83.01386	0.7
95.05069	0.3
97.02939	1.0
105.03449	0.5
107.01374	0.6
109.02956	0.3
111.04511	0.4
117.84898	0.3
123.00873	0.8
124.01667	0.6
125.02444	56.7
126.02798	1.0
137.02502	1.7
139.03986	0.8
141.51401	0.3
149.02379	0.4
151.03983	0.4
161.02422	3.8
165.01906	1.0
166.99849	0.4
167.03491	1.1
169.01419	100.0
170.01784	1.7
177.01971	0.3
177.05577	0.4
179.03520	0.8
193.01395	1.5
219.06572	0.7
221.04564	0.4
269.04578	0.8
287.05759	1.7
305.06644	4.5
327.84750	0.3
331.04587	1.6
346.52994	0.3
457.07742	14.1
458.08060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.03432	1.4
57.24448	0.4
57.33078	0.4
59.01380	32.3
61.98829	0.8
65.24850	0.6
69.03451	0.9
69.13201	3.0
71.01379	15.2
72.99312	0.7
73.02946	8.1
83.01382	3.1
83.37650	0.4
85.02946	7.3
86.62869	0.5
87.00879	1.5
89.02423	3.5
95.01385	1.3
96.95975	0.7
97.02948	0.4
98.21871	1.0
99.00884	1.8
99.04504	0.9
101.02445	10.7
110.36524	0.4
113.02448	7.2
113.03227	0.6
119.03516	1.2
121.02938	0.5
125.02432	1.9
131.03500	0.5
143.03471	0.9
159.02977	0.9
161.04562	2.2
169.01480	0.6
201.11357	0.7
209.11821	1.1
227.12851	0.5
235.16972	2.6
251.16475	3.2
265.13397	0.5
311.24405	0.5
395.20590	3.5
413.21735	11.0
414.21854	0.9
437.21573	1.6
455.22833	100.0
456.23172	6.3
497.24109	1.9
747.35010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.4
61.98825	4.1
69.00945	4.0
71.01372	10.4
72.99323	2.0
73.02944	8.1
75.00866	2.1
77.03578	1.5
80.88065	1.5
81.94220	1.5
83.01366	2.7
85.02929	2.8
89.02442	6.7
93.03444	4.7
95.01359	3.1
96.63631	1.8
96.95997	2.2
99.00866	1.6
101.02440	7.5
109.02960	3.9
113.02432	5.5
119.03557	2.3
121.02959	9.3
122.03728	14.2
123.04495	3.2
125.02448	5.2
133.02908	3.7
135.04500	3.9
137.02469	2.4
145.02945	1.8
149.02437	30.4
149.06064	5.0
150.03217	100.0
151.03857	3.4
161.04581	3.3
163.04041	7.0
164.04776	6.6
165.05554	94.4
173.06136	1.8
175.03996	7.2
177.05603	2.0
179.05676	3.1
179.07130	5.7
180.04248	7.8
188.04787	1.9
189.05524	4.7
190.06296	12.4
191.07114	9.3
192.00671	3.0
193.05037	4.1
194.05815	4.6
195.06604	53.2
203.07140	1.7
205.08672	7.4
207.06625	3.7
208.07370	14.7
209.16376	1.7
222.08995	8.3
234.01917	1.9
239.05692	2.1
297.11346	1.8
346.13867	2.5
357.13348	3.8
359.14987	54.1
369.07864	2.8
374.13806	1.9
387.14441	1.9
388.15054	1.9
389.16055	6.8
404.24042	1.6
507.20053	3.4
537.15222	1.9
537.21271	66.1
538.21692	5.9
585.23340	80.1
586.23749	5.4
605.15936	2.0
643.33417	5.4
661.34344	3.1
703.37451	2.1
747.25684	2.6
747.37933	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	747.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.4
61.98825	4.1
69.00945	4.0
71.01372	10.4
72.99323	2.0
73.02944	8.1
75.00866	2.1
77.03578	1.5
80.88065	1.5
81.94220	1.5
83.01366	2.7
85.02929	2.8
89.02442	6.7
93.03444	4.7
95.01359	3.1
96.63631	1.8
96.95997	2.2
99.00866	1.6
101.02440	7.5
109.02960	3.9
113.02432	5.5
119.03557	2.3
121.02959	9.3
122.03728	14.2
123.04495	3.2
125.02448	5.2
133.02908	3.7
135.04500	3.9
137.02469	2.4
145.02945	1.8
149.02437	30.4
149.06064	5.0
150.03217	100.0
151.03857	3.4
161.04581	3.3
163.04041	7.0
164.04776	6.6
165.05554	94.4
173.06136	1.8
175.03996	7.2
177.05603	2.0
179.05676	3.1
179.07130	5.7
180.04248	7.8
188.04787	1.9
189.05524	4.7
190.06296	12.4
191.07114	9.3
192.00671	3.0
193.05037	4.1
194.05815	4.6
195.06604	53.2
203.07140	1.7
205.08672	7.4
207.06625	3.7
208.07370	14.7
209.16376	1.7
222.08995	8.3
234.01917	1.9
239.05692	2.1
297.11346	1.8
346.13867	2.5
357.13348	3.8
359.14987	54.1
369.07864	2.8
374.13806	1.9
387.14441	1.9
388.15054	1.9
389.16055	6.8
404.24042	1.6
507.20053	3.4
537.15222	1.9
537.21271	66.1
538.21692	5.9
585.23340	80.1
586.23749	5.4
605.15936	2.0
643.33417	5.4
661.34344	3.1
703.37451	2.1
747.25684	2.6
747.37933	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	748.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64551	0.1
54.91164	0.1
59.01367	0.1
61.98827	100.0
65.44662	0.1
70.32376	0.2
70.32703	0.1
75.00897	0.2
98.21972	0.1
125.02425	0.2
139.97957	0.1
169.01430	0.2
194.18660	0.1
207.10274	0.2
207.12071	0.1
211.13365	0.8
297.65442	0.1
447.22748	0.2
555.17499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49186	0.4
58.98619	0.4
59.01369	1.3
60.86425	0.4
61.98827	19.9
69.11060	0.5
69.92440	1.0
69.92768	0.6
71.01371	0.7
75.00877	0.5
77.13572	0.4
83.32181	0.5
89.02437	1.0
101.02417	1.7
114.70043	0.4
120.16721	0.4
120.94171	0.4
122.62007	0.4
125.02451	0.6
140.61502	0.4
147.58138	0.5
167.14374	0.9
169.01408	0.6
183.13918	4.5
193.12335	1.2
211.13388	100.0
212.13730	4.8
224.79637	0.4
235.08183	1.3
247.47052	0.4
253.09283	3.0
376.99954	0.5
429.21323	2.6
430.21512	0.6
447.22385	15.0
448.22641	0.8
623.34155	6.2
641.35498	5.7
642.35699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03431	2.6
59.01379	100.0
60.01717	1.1
67.13741	1.3
68.08054	0.9
69.03455	1.4
69.60979	2.6
71.01009	2.1
71.01384	36.1
72.99332	1.1
73.02946	19.7
79.59460	0.8
80.69031	1.1
83.01386	5.3
84.76899	1.1
85.02952	14.2
87.00857	3.1
88.87979	0.9
88.98820	1.0
89.02446	18.1
91.58635	1.0
95.01383	4.5
97.02933	2.1
99.00874	2.6
101.02454	20.7
113.02453	32.0
119.03541	6.3
124.01682	1.4
125.02451	6.4
131.03540	1.6
143.03510	4.6
149.04494	1.9
161.02423	1.7
161.04565	8.1
169.01369	1.1
179.05582	3.4
221.43831	1.1
298.26389	1.0
301.03461	1.5
397.22107	3.0
415.23364	1.6
420.51675	1.1
447.09143	1.8
541.26410	19.9
542.27203	1.6
557.14380	1.1
559.27625	44.7
560.27875	4.3
577.28473	11.2
601.28448	14.2
602.29657	1.4
619.29779	18.6
620.29437	1.2
661.30548	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71104	0.4
59.14330	0.5
59.25291	0.5
69.41544	1.8
78.28515	0.5
110.03732	0.9
122.03719	0.9
123.04521	26.0
124.04887	1.2
125.02447	1.6
137.02441	6.2
137.06041	1.1
138.03201	1.8
139.03967	0.6
147.16010	0.6
151.03995	15.0
152.04771	2.1
165.05551	2.9
181.05186	0.7
193.12383	1.7
219.09842	0.5
221.11832	1.4
225.26114	0.5
247.17062	1.2
275.16669	1.3
275.19931	0.8
289.21695	2.7
293.73849	0.5
303.19739	3.9
303.23047	0.8
304.20114	0.8
316.20313	0.8
317.21167	6.8
318.21970	16.7
319.22266	1.2
333.24323	61.9
334.24689	4.7
356.27625	0.5
363.25394	100.0
364.25763	7.7
385.07126	0.7
749.49713	11.3
750.50232	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	750.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
61.98836	2.0
66.67621	1.8
69.75970	7.0
69.76325	3.3
70.01228	1.9
71.01379	4.0
80.74280	1.9
161.04616	2.5
166.33479	2.1
183.13855	5.7
202.60995	2.5
211.13387	100.0
212.13705	3.2
214.41243	2.1
235.08296	5.6
253.09302	8.2
277.21710	81.6
278.22052	5.1
279.73154	2.7
328.96890	2.1
396.31110	2.4
447.22354	8.0
564.04474	2.8
670.07233	2.8
695.99432	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	751.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.0
63.02401	1.0
65.00315	1.1
67.89361	1.0
71.01353	1.0
83.01389	1.0
84.33189	0.8
107.01376	2.4
109.02905	1.3
121.02913	1.9
129.78181	0.9
137.09668	4.4
151.00375	9.1
155.10780	100.0
163.00366	3.5
171.10254	14.0
178.99811	5.5
192.00636	1.0
199.09760	25.6
211.04024	1.1
217.10820	62.7
218.11192	1.6
226.02840	0.8
227.03534	1.7
243.03009	5.6
245.04503	2.0
255.02979	17.9
259.11856	99.3
260.12088	1.9
271.02466	27.3
272.02997	1.1
273.04037	1.3
283.02386	1.4
283.95395	1.0
300.02753	57.6
301.03525	41.1
302.03809	1.3
432.31305	1.1
447.09305	87.9
448.09674	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	751.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.6
75.88008	0.5
86.62106	0.5
108.02174	23.5
109.02985	2.6
118.02210	0.6
121.02957	1.0
122.03745	1.1
135.04565	0.5
136.01675	1.6
149.02464	0.7
150.03191	0.9
167.03452	1.4
177.05540	0.5
180.53488	0.5
187.35187	0.5
230.40236	0.5
280.74249	0.5
303.23282	34.0
304.23639	1.8
331.22760	100.0
332.23138	6.4
361.23798	2.3
362.24594	12.2
363.25229	0.5
391.52338	0.5
393.65735	0.7
396.05753	0.5
404.25604	1.2
419.27991	6.5
426.00549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.79604	0.1
61.98829	100.0
64.12440	0.1
64.26273	0.1
71.01389	0.2
77.52154	0.1
82.95412	0.2
98.21823	0.3
101.02478	0.1
116.92882	0.1
144.62317	0.1
153.83536	0.1
173.27003	0.1
176.96545	0.1
183.13896	0.1
185.11856	0.5
186.12236	0.1
209.11847	0.3
210.12251	0.2
211.13406	2.0
212.13727	1.0
227.12901	0.1
235.08253	0.1
262.66290	0.1
329.33289	0.1
394.10419	0.2
447.22565	0.2
448.22705	0.1
624.34436	0.1
716.86658	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	753.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.92152	1.4
78.95943	1.5
96.96001	21.0
96.96981	4.4
121.02841	1.6
122.65958	1.8
125.02451	21.2
126.02798	2.2
136.01695	1.8
137.02481	2.8
142.29938	1.5
144.10298	1.7
151.04056	2.1
161.02611	2.0
164.01088	3.1
167.03506	4.6
169.01424	4.9
170.31978	1.6
174.13811	1.4
177.01942	12.4
179.03545	1.4
192.00648	33.6
192.04086	1.6
193.01431	4.9
207.02945	7.2
243.03023	1.9
247.96370	7.5
248.97141	6.2
263.95715	10.6
276.96774	1.9
289.07242	2.4
289.97430	50.7
290.98145	3.0
301.97446	3.1
303.05127	2.0
304.96121	1.6
304.99738	2.1
305.06830	2.9
305.96927	2.4
319.98685	1.7
320.98996	2.4
384.83093	1.7
394.97269	6.5
395.98544	1.8
410.96841	2.8
422.96606	4.5
425.03897	28.2
425.08850	1.6
425.95258	3.6
435.97116	2.6
437.99033	15.5
438.96121	5.9
439.96716	2.5
440.97482	10.1
441.98782	2.1
451.96991	2.4
453.98843	7.0
454.99356	3.3
456.00137	9.7
466.99542	2.2
471.02356	2.6
495.99652	3.5
513.03583	2.8
558.03381	3.0
573.05579	100.0
574.05841	3.6
648.63879	1.8
693.09851	71.6
694.10358	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	753.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.5
69.14777	0.9
69.15189	1.5
83.01373	0.6
86.91768	0.4
87.70551	0.4
102.95048	0.4
107.01382	1.4
109.02932	0.9
117.89529	0.4
124.01661	1.3
125.02412	0.9
128.32115	0.4
137.02406	2.1
151.00365	5.7
152.01079	0.6
163.00346	1.1
164.01167	1.0
169.01511	0.5
171.04492	0.5
178.99837	5.5
192.00604	0.5
201.94795	0.5
214.02728	3.5
232.03615	0.5
239.60370	0.4
242.02164	3.0
243.02988	1.4
245.09221	0.9
259.02435	3.4
270.01660	4.3
271.02469	24.3
272.02667	0.5
287.01965	13.3
288.02634	0.9
315.01489	0.5
316.02206	78.6
317.02951	15.4
318.03128	0.5
342.41028	0.4
439.96555	0.4
463.08813	100.0
464.09009	3.5
508.87515	0.5
517.30109	0.4
730.20569	0.4
784.11560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
61.44600	0.2
63.74321	0.2
67.71125	0.2
69.14239	0.8
69.14652	0.5
69.37228	0.2
71.01379	0.9
79.52289	0.2
85.02956	0.2
89.02454	0.8
95.01382	0.3
96.02169	0.5
98.22729	0.4
101.02418	0.4
108.02180	1.3
109.02970	0.6
113.02454	0.2
115.68956	0.2
119.03510	0.5
123.00873	1.0
124.01670	1.9
125.02446	0.4
136.01691	0.7
137.02452	0.4
138.03200	0.6
150.03212	0.8
152.01140	2.9
153.01915	0.7
165.01938	0.4
166.02705	0.7
167.14433	0.3
203.14378	0.3
209.15384	0.3
221.15462	7.3
222.15787	0.3
234.08116	0.2
237.14940	7.4
249.14957	46.4
250.15359	1.7
251.16481	1.3
263.16504	0.5
265.14444	100.0
266.15109	10.4
267.16013	8.8
268.16486	0.4
277.14490	0.4
278.15329	0.3
279.15994	4.2
291.15875	0.4
293.17575	0.3
303.15915	0.3
307.15439	1.7
321.17126	0.5
393.19196	0.3
411.20227	4.4
427.19699	5.2
428.20435	6.3
429.21271	9.1
573.26080	0.3
590.25818	9.5
591.26575	30.5
592.27008	2.2
742.86115	0.3
753.31799	9.4
754.32239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89442	1.2
55.33604	1.3
59.01368	7.6
61.98827	100.0
71.01375	32.3
78.91882	3.0
80.96517	3.1
81.03442	1.8
82.95383	1.4
83.05030	3.9
85.02976	2.0
89.02449	3.0
96.96009	14.1
97.02934	2.9
101.02456	2.7
109.06590	6.8
113.02463	1.6
116.92780	1.7
125.02417	2.0
125.09695	1.8
125.84231	1.4
135.08159	1.7
139.48817	1.3
161.04578	1.7
161.09697	1.7
163.11301	5.2
171.10287	7.3
181.12346	3.1
197.11797	4.2
201.11354	3.1
207.10274	15.9
209.11826	46.6
211.13385	5.2
225.11301	13.9
227.12958	6.6
235.08142	1.6
243.12415	2.2
253.09300	5.1
417.22662	2.6
461.20380	3.6
653.31897	1.7
671.32397	3.8
721.36176	2.2
753.34393	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	753.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13200	1.0
59.01374	16.7
59.51416	1.1
61.98825	100.0
62.91799	1.1
67.39427	1.2
67.76472	1.1
69.30045	4.4
69.30453	1.8
71.01378	47.3
72.01749	1.3
73.02930	1.7
78.91886	3.4
79.95735	1.3
80.18826	1.4
80.96494	2.6
81.03443	2.4
82.95377	1.2
83.05016	4.9
84.95171	1.4
89.02451	4.1
95.63988	1.1
96.96015	7.1
97.02921	2.0
98.59165	1.1
99.00885	1.8
101.02437	4.4
103.01485	3.0
109.06580	7.9
113.02452	3.0
115.00375	1.4
125.09727	1.5
135.23074	1.2
161.04565	1.6
163.11267	9.4
169.01372	1.7
171.10286	9.5
175.02596	1.6
181.12297	3.7
185.11809	3.8
197.11719	2.0
199.13377	2.6
201.11339	9.0
207.10228	19.6
208.40787	1.2
209.11813	79.9
209.33614	1.4
210.12144	4.4
211.13414	8.6
225.11308	18.0
227.12881	10.5
235.08217	2.5
253.09280	8.3
281.90561	1.3
399.21384	2.2
461.20511	3.8
507.44983	1.4
635.31134	2.4
653.31403	2.2
671.33136	3.3
689.33588	2.0
721.36273	4.3
753.33179	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	754.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98828	100.0
63.99248	0.4
70.90594	0.2
71.01373	0.5
73.03424	0.2
80.39787	0.2
80.91711	0.3
89.02474	0.3
96.96037	1.0
112.04675	0.2
122.82928	0.2
147.99835	0.3
160.27315	0.2
171.10236	0.2
182.63666	0.2
193.80783	0.3
209.11920	0.9
211.13399	0.6
212.13789	0.3
295.22913	1.1
296.23248	0.8
397.13464	0.4
472.33127	0.2
560.89020	0.2
694.36072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2035
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
56.73655	0.6
57.03437	0.5
59.01379	4.7
63.02412	0.6
65.00312	0.9
70.15594	1.0
71.01394	0.6
78.50757	0.5
83.01391	0.8
89.02472	0.9
89.63377	0.5
107.01409	1.4
108.02176	1.5
110.15635	0.5
115.44090	0.5
121.02954	0.7
124.01665	0.9
125.02441	3.6
135.00912	0.9
143.52737	0.6
148.01666	1.5
151.00380	4.1
153.01958	0.6
161.02361	0.5
163.00365	0.6
163.04124	0.7
164.01111	0.6
164.31689	0.5
167.03517	0.7
169.01422	2.3
177.01909	0.6
178.99811	3.0
182.96735	0.6
193.01361	0.6
199.04070	1.0
201.01822	0.8
215.03455	0.6
226.02730	1.2
227.03448	2.1
243.02965	10.2
244.03539	0.6
254.02216	2.4
255.02974	25.4
256.03268	1.7
271.02469	56.0
272.02869	3.6
273.03979	0.5
299.01938	2.0
300.02737	100.0
301.03281	8.8
449.07187	0.7
605.79321	0.6
755.20386	59.2
756.20935	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	755.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84344	1.9
59.01362	3.3
89.02415	2.9
112.40311	2.0
113.02455	3.6
125.02429	9.5
131.24150	2.1
151.04007	17.6
163.07616	2.0
165.09196	2.6
167.03542	4.0
169.01410	3.0
177.01955	5.1
179.03421	2.8
184.28206	1.9
191.07141	26.0
192.07925	73.0
193.08669	13.8
207.10262	26.2
208.07411	8.7
237.07707	13.5
251.09193	23.7
252.06407	6.1
253.07167	75.9
254.07768	13.8
267.08856	13.5
267.90265	2.0
295.08151	3.5
324.47958	2.0
416.13177	5.1
430.14554	3.8
431.15518	28.2
593.20880	100.0
594.21338	7.5
755.25671	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	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
59.01378	5.7
60.18674	0.4
61.98829	13.1
69.03467	0.6
69.83774	1.3
71.01385	3.6
72.51347	0.5
73.02953	1.1
75.75111	0.4
76.62577	0.4
78.95895	1.0
80.02673	0.9
80.91681	1.9
81.03452	0.8
82.95411	1.1
83.05026	4.2
84.02166	0.6
85.02927	1.2
87.00858	1.1
88.01206	0.5
89.02437	2.5
95.05030	0.9
97.02948	0.5
101.02444	3.0
109.06603	0.5
111.08154	5.6
113.02440	1.6
125.02434	0.7
135.08138	0.7
151.11285	0.8
153.12776	0.7
161.04582	1.1
163.11249	3.2
165.12849	1.7
169.01375	1.0
169.12352	1.9
171.10251	1.5
179.10780	0.5
180.59560	0.4
181.12387	1.3
183.13847	0.9
185.11841	0.6
191.10825	0.7
197.11819	26.6
198.12167	1.1
199.13364	2.7
201.11290	0.5
209.11819	100.0
210.12111	2.7
211.13393	9.1
225.11226	1.1
227.12874	15.0
235.08238	4.2
253.09283	15.3
263.20160	1.9
265.18015	0.8
273.18628	0.4
291.19647	11.4
292.20093	0.5
293.21237	0.7
305.53619	0.5
309.20703	38.7
310.20975	1.8
325.20468	0.9
445.20746	1.2
463.21362	0.6
545.29456	0.8
755.42609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73347	1.3
59.01360	3.3
64.31178	1.4
71.01374	1.7
79.03465	1.4
85.02964	1.7
111.00876	2.1
115.30649	1.5
124.01646	1.8
124.98760	2.4
125.02434	6.1
137.06068	2.4
138.10030	1.3
139.00352	9.7
147.04437	1.7
151.03947	2.2
152.01117	1.9
153.01929	3.9
154.02713	1.8
165.05554	9.1
166.99849	2.9
167.03433	2.2
167.07092	1.6
169.01418	5.4
175.03989	3.9
177.01877	2.4
177.05536	11.0
181.01341	1.9
181.05064	2.9
191.03503	1.6
192.04247	3.3
193.05046	25.5
194.05792	12.6
195.06554	3.6
199.05983	3.1
207.06711	2.3
209.04514	5.8
209.08301	1.4
210.05286	7.1
211.06096	2.8
225.03960	8.2
227.05556	14.8
237.03979	4.8
238.04756	4.2
239.05603	16.9
253.03477	7.3
253.07138	12.3
254.04335	16.5
255.05078	54.1
256.05637	1.7
261.03482	1.6
269.06674	2.5
270.07401	4.5
401.10870	3.4
413.94919	1.6
415.12772	2.0
417.10352	48.6
418.10944	3.4
420.48367	1.5
433.13000	3.8
484.48886	1.8
580.16272	3.9
595.18762	57.2
600.69928	1.8
742.21832	5.3
757.23993	100.0
758.24176	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	757.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53563	0.7
53.96494	0.7
57.03429	1.1
59.01361	3.0
69.63772	1.3
69.64162	1.2
71.01376	2.0
85.02941	1.2
87.00879	0.7
89.02412	0.7
97.02988	0.7
101.02438	0.8
107.05044	1.1
109.02963	1.1
113.02474	0.8
114.05974	0.6
123.00862	1.3
124.01634	0.9
125.02438	11.0
133.06558	1.4
137.02425	2.0
137.06038	0.9
138.98997	0.6
139.00337	3.7
139.03941	1.2
141.01939	0.9
147.04578	1.1
149.06064	2.7
151.03996	0.7
153.01926	5.0
154.02766	1.3
159.76587	0.6
160.05128	0.8
161.02406	1.1
162.03169	1.9
163.04051	1.2
165.05547	4.6
166.02702	0.9
167.03476	3.7
167.07169	0.7
169.01439	10.2
175.00453	0.7
175.04048	4.4
177.01997	3.6
177.05569	26.1
178.06104	0.8
179.03427	0.9
181.01378	0.9
181.05058	0.9
189.78783	0.7
191.03452	1.2
192.04218	2.6
193.05054	17.1
194.05826	7.6
195.06609	6.5
199.06071	1.1
203.03358	0.9
207.06650	0.9
209.04585	3.6
209.08128	0.8
210.05296	3.5
211.06030	1.2
219.06445	0.8
221.04602	2.0
225.03990	2.6
226.04823	0.8
227.05563	7.2
237.04022	1.9
238.04820	6.0
239.05614	13.8
243.02934	1.4
253.03528	2.5
253.07170	19.0
254.04312	6.6
254.06880	1.0
255.05098	26.3
256.05768	2.8
269.06616	2.2
270.07419	2.8
283.02319	0.8
301.03601	0.8
305.06668	1.7
366.83380	0.8
401.10907	2.8
415.12442	7.9
417.04813	1.4
417.10364	24.3
418.11069	5.4
431.11819	1.9
432.12756	2.1
433.13489	11.4
457.07993	0.9
562.07825	0.7
580.16650	1.6
594.17975	1.0
595.18768	100.0
596.19208	6.4
757.23938	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	757.3777
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
61.98829	100.0
70.21627	15.5
70.52290	6.9
71.16345	6.8
71.36091	6.7
82.95413	37.1
96.96000	11.1
169.01434	11.5
209.11838	74.1
210.12204	6.9
211.13426	85.2
227.12888	12.1
253.09116	12.7
405.17426	7.8
445.20938	11.6
447.22198	14.7
529.20007	7.4
639.33563	15.6
657.34216	10.8
757.37787	73.9
758.38245	13.4
784.56812	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	757.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	76.1
101.47527	22.2
139.47377	21.5
155.40511	22.6
161.98825	29.8
187.45457	23.6
195.94334	24.4
209.12001	23.6
232.51823	27.7
277.21762	100.0
285.45230	25.3
479.60342	28.7
495.53442	26.0
584.15149	27.6
721.41528	42.3
757.39624	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77151	29.4
61.98824	39.7
71.43826	38.8
73.00047	27.7
86.34771	30.0
93.42354	26.9
96.74542	29.7
181.68507	41.3
207.10120	34.1
209.11815	33.9
212.66635	27.7
225.11348	66.9
277.21677	63.0
293.24783	29.2
360.47931	32.3
523.57751	37.0
757.39508	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	757.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21735	0.5
57.57660	0.6
59.01377	100.0
69.40285	2.6
75.00864	1.5
90.86875	0.5
98.22684	0.7
102.95690	1.6
103.00375	2.4
103.01493	78.0
104.03516	0.6
145.52979	0.7
201.11316	0.9
225.11140	0.8
277.21591	2.5
419.86069	0.7
757.42694	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	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35281	1.0
59.01375	7.8
61.55474	1.0
62.01448	0.9
68.99555	7.0
71.01376	89.5
73.02934	2.8
85.02934	1.5
87.00875	3.3
89.02426	2.5
97.02942	1.6
101.02426	3.9
109.06574	3.6
112.98579	7.9
113.02452	2.5
114.93407	7.9
115.00366	14.1
115.04008	2.8
125.09707	1.6
161.04507	2.0
163.11276	2.3
171.10260	56.0
172.10634	1.0
181.12357	1.4
199.09743	7.7
199.13501	1.0
201.11295	5.9
201.72588	1.0
205.19571	1.0
207.10242	12.6
225.11330	7.1
235.08171	4.4
253.09254	9.1
277.21707	100.0
278.21988	3.4
461.20297	1.8
695.39960	1.4
721.41833	2.7
757.43481	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	759.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.0
69.21762	4.9
81.03426	1.3
82.58594	1.0
83.01378	3.8
93.03461	2.4
95.01402	0.9
95.05024	1.0
97.02968	0.8
98.22620	1.4
105.03438	2.0
107.05030	1.3
109.02953	5.7
121.02954	5.1
123.00912	1.7
123.04543	1.5
124.01638	2.6
125.02444	100.0
126.02793	1.9
131.04985	1.3
133.02985	2.8
135.04515	2.4
137.02446	15.7
139.04013	3.3
145.02954	2.5
147.00838	1.7
147.04459	1.2
149.02440	7.6
149.06140	1.3
151.03993	7.3
153.01932	1.0
159.04514	4.6
160.25273	0.9
161.02463	11.7
161.06110	1.5
163.00362	5.4
163.04016	2.4
164.01134	2.7
165.01930	5.8
166.02654	1.1
167.03490	7.7
169.01419	8.8
170.01642	0.9
173.05983	1.1
175.00328	3.8
175.03973	10.5
176.01212	1.9
177.01926	85.4
177.05348	1.7
178.02344	1.8
179.03517	1.7
183.02974	1.0
183.04420	1.5
185.06079	1.7
187.03998	3.4
189.01939	1.6
191.03490	2.4
193.05040	1.9
196.91805	0.9
199.03973	4.3
201.01889	1.4
201.05568	2.4
203.03421	1.9
203.07072	1.4
207.27382	0.8
209.05969	0.8
211.03955	1.7
213.05566	0.8
214.02635	0.9
215.03549	2.0
215.07144	0.7
217.05074	6.9
219.02957	3.0
225.05579	1.3
227.03496	3.4
227.07059	2.0
229.01454	2.3
229.05069	3.7
231.02943	1.7
237.05597	1.0
241.05055	1.5
243.02954	20.6
243.06590	1.0
244.93491	0.8
245.04398	2.6
245.08167	1.0
251.03360	1.1
253.05107	2.9
255.02960	8.3
256.03647	2.3
257.04480	2.2
261.04019	6.2
261.06534	0.9
267.03000	1.9
269.04468	4.1
271.06094	7.8
273.04059	6.0
281.04556	1.2
283.02374	2.9
285.04025	3.1
287.05557	7.5
289.07181	3.7
295.02704	0.8
297.03976	2.4
301.03534	7.0
303.05014	10.1
305.06680	6.2
309.08176	0.8
313.03583	2.3
315.05096	1.6
319.04623	1.8
327.05087	1.1
357.09711	1.2
379.08185	1.5
387.05014	1.0
387.11026	0.9
389.06491	6.8
405.06238	7.1
407.07745	12.3
411.10855	1.1
423.07242	27.7
424.07675	2.1
427.06689	1.6
429.07907	0.9
439.06442	2.3
441.08270	1.6
445.42728	0.8
449.08810	1.5
451.32977	0.9
453.07870	1.2
455.09869	9.3
465.08151	3.7
467.09708	1.4
557.87146	1.0
573.10315	11.8
575.11945	2.3
591.11444	12.9
592.11499	1.3
607.10883	1.7
609.12445	1.7
633.12488	2.6
655.13788	0.8
759.14777	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	759.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03202	1.0
57.03444	13.2
66.66879	0.8
69.32902	4.1
83.01380	2.7
93.03441	2.5
95.01405	0.9
96.95990	2.5
97.02910	1.2
98.22621	1.3
105.03436	1.5
107.05017	1.8
109.02967	4.6
111.04508	1.7
121.02961	4.3
123.00871	2.2
123.04496	1.3
124.01660	1.9
125.02444	100.0
126.02785	2.0
127.16173	0.9
131.04977	1.7
133.02042	0.9
133.02917	4.1
137.02451	16.6
139.03989	3.1
147.00813	2.2
149.01427	0.9
149.02423	5.7
149.06018	1.3
151.04004	11.0
159.04428	1.7
161.02435	22.6
162.03079	1.5
163.00386	9.2
163.04005	2.0
164.01125	3.1
165.01944	7.2
166.02724	0.9
167.03479	6.0
169.01389	3.6
173.06102	1.6
174.03238	0.9
175.00369	5.8
175.03973	13.9
176.01085	1.8
177.01924	79.9
177.05453	2.8
178.02281	1.5
179.03487	3.5
183.04495	2.1
185.06000	1.2
187.04030	4.2
189.01933	2.4
189.05545	1.0
191.03415	4.6
193.05106	4.3
193.06615	1.0
199.03987	6.2
201.01953	2.0
201.05536	2.6
202.99725	0.9
203.03554	4.2
211.03973	1.3
213.05531	1.2
215.03456	2.4
217.05054	11.4
219.03017	6.1
219.06543	2.5
221.04501	1.8
225.05527	2.0
227.03441	4.3
229.01447	4.1
229.05017	3.8
233.04422	1.2
241.05022	1.3
243.00604	1.7
243.02972	21.9
245.04579	2.4
253.05023	1.2
255.02977	9.5
256.03891	1.8
257.04468	2.0
259.05960	0.9
261.04077	9.8
267.03162	0.9
269.04510	8.1
273.04044	5.2
283.02484	4.4
283.05444	0.8
285.03940	3.5
287.02402	1.5
287.05554	11.8
289.07129	1.6
297.03870	2.7
301.03510	11.4
303.05096	8.2
305.06641	9.5
313.03510	2.4
315.05170	1.8
325.03323	0.9
327.05249	1.6
337.06921	1.1
343.04742	0.9
355.08389	1.0
379.08020	1.8
387.05078	2.6
405.06027	10.0
407.07730	1.3
423.07178	46.0
424.07489	1.7
427.06616	3.1
439.06793	4.8
441.08133	1.9
452.07574	1.4
453.08368	2.2
455.09586	1.9
465.08221	6.1
481.07498	1.5
483.09555	1.7
573.10364	4.7
589.09839	1.5
591.11414	16.2
592.11926	0.9
607.10980	4.0
609.12299	2.5
640.33630	0.9
759.15680	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	759.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84552	3.8
59.01374	51.0
61.98815	19.9
70.68880	4.2
71.01379	25.8
73.02957	4.8
82.95412	59.5
84.95105	11.4
85.00451	14.1
89.02418	8.8
89.73381	4.0
103.01482	18.7
113.02414	4.9
125.02454	14.1
125.09695	4.2
169.01421	9.1
171.10245	27.5
183.13901	8.7
185.11855	9.4
197.11819	6.0
199.09746	14.3
199.13373	11.8
201.11339	22.2
207.10260	12.8
209.09904	5.3
209.11809	40.3
211.13377	100.0
212.13632	4.9
225.11342	27.5
227.12833	20.4
235.08081	6.7
243.12268	5.9
253.09285	14.4
391.05283	4.8
447.22287	7.7
461.20212	9.2
601.32422	4.8
629.31415	7.7
637.32428	12.3
655.33258	25.5
673.34137	12.3
691.35529	19.3
707.09674	4.8
723.37469	5.7
741.34088	6.9
759.35724	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	759.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59061	1.7
59.01373	10.0
61.98822	3.6
62.27945	1.7
67.21336	1.8
71.01389	5.2
73.02938	3.1
83.05018	3.2
89.02458	2.2
96.96012	3.5
101.02459	3.1
111.00764	1.8
125.02459	4.0
132.01019	1.7
163.11311	2.1
167.47765	1.7
169.01428	2.3
171.10254	7.8
189.07712	3.6
201.11304	21.8
207.10324	3.6
209.11824	100.0
210.12105	4.0
225.11366	4.9
227.12877	19.7
235.08252	6.0
249.74956	2.1
253.09232	9.2
273.18646	1.9
388.93726	1.6
419.18927	2.1
437.20078	2.9
445.20825	19.1
446.21274	1.8
454.60309	1.7
463.21909	2.1
463.45065	1.9
555.58649	1.9
611.32379	2.0
629.31659	8.2
637.32916	4.2
647.32794	7.0
648.33759	1.9
655.32587	2.3
671.36475	4.0
673.34344	4.7
731.40295	2.0
759.35626	37.2
760.35675	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	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	8.8
59.18985	3.5
61.98850	5.8
66.50918	4.2
69.25668	20.8
71.01382	37.6
89.02453	6.9
98.22556	7.1
100.71132	4.3
107.80441	3.8
108.76838	4.0
147.88228	4.2
171.10277	48.7
201.11264	4.0
207.10278	5.8
209.09857	5.2
209.11839	100.0
227.12856	22.4
235.08232	3.9
246.18282	4.0
253.09164	19.5
277.21719	59.9
278.21838	5.0
279.23175	24.5
445.20596	10.4
471.60986	4.2
473.17950	4.0
559.97241	4.1
737.22620	4.7
759.40900	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.7
61.97434	3.8
61.98821	5.9
64.41754	3.3
70.66122	8.3
71.01373	12.4
78.52936	3.5
78.95921	6.5
89.02479	5.6
106.69404	4.4
144.08704	3.8
148.17418	4.4
171.10249	9.9
209.11810	67.2
227.12920	20.8
235.08229	10.8
253.09241	15.6
277.21719	100.0
278.22211	4.0
279.23260	4.9
325.18500	4.9
445.20264	4.4
725.74860	4.2
759.40894	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	759.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22003	19.6
60.00650	22.6
61.98817	28.6
69.40730	76.3
71.01385	97.6
130.07588	19.4
159.05006	24.8
171.10266	66.2
209.11877	73.4
227.12901	62.9
253.21735	27.0
253.97966	22.7
277.21701	100.0
279.23291	81.6
545.76434	26.2
705.42212	24.7
759.42310	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1358
Annotation	3-O-Galloylepigallocatechin-(4beta->6)-gallocatechin
Peak:m/z	Relative Intensity
55.76446	0.9
57.03442	10.9
59.01364	1.0
65.00322	1.0
69.03443	0.8
69.66631	0.7
70.37711	1.3
70.38054	1.4
77.01387	0.7
81.03448	1.9
83.01385	1.5
83.75537	0.8
87.00857	0.8
88.04256	0.8
93.03445	2.4
95.05005	1.7
97.02908	1.2
105.03450	2.6
107.05116	0.7
108.02196	1.2
109.02961	5.1
111.04514	2.1
121.02953	3.7
123.00883	2.5
123.04518	1.6
124.01671	1.9
125.02445	100.0
126.02774	1.8
131.05003	1.0
132.02179	0.8
133.02960	3.7
135.04544	1.1
137.02432	13.5
139.04021	5.7
147.00943	1.0
149.02446	4.5
149.06062	1.2
151.04024	8.0
152.01102	1.4
153.01906	1.0
154.73677	0.7
159.04489	1.7
161.02435	18.2
163.00374	4.6
163.03999	1.9
164.01129	2.5
165.01904	6.5
167.03522	6.0
169.01405	15.9
169.05103	1.2
173.05984	1.0
173.69289	1.0
174.03189	1.0
175.00418	4.2
175.03992	15.2
176.01111	1.7
176.08952	0.8
177.01921	69.6
177.05508	3.0
178.02347	1.9
179.03488	3.3
181.05196	0.8
183.04482	1.6
187.04100	2.0
189.01967	1.3
189.05608	0.8
191.03479	2.3
193.01411	2.8
193.05040	1.8
199.03999	5.0
201.01863	1.9
201.05597	2.8
203.03461	2.5
204.04286	0.9
211.04106	0.9
215.03539	3.0
217.05037	7.7
219.02991	4.2
219.06598	3.0
221.04523	1.3
225.05576	0.9
227.03441	3.4
228.04198	1.1
229.01456	3.9
229.04953	2.8
241.05104	1.4
243.02969	15.7
243.06606	0.9
245.04626	1.4
255.02945	12.6
256.03705	2.2
257.04562	3.1
259.06088	1.5
261.04004	7.1
261.06506	1.0
261.07504	0.8
269.04431	6.4
273.04004	2.5
283.02432	7.3
285.03986	3.1
287.05563	10.4
288.02802	0.8
297.04099	6.8
300.28595	0.8
301.03537	6.2
303.05099	10.0
305.06656	22.5
313.03522	2.4
315.05060	1.3
319.04547	2.2
319.41870	1.0
327.04935	1.7
331.04376	1.1
345.08319	2.0
355.08221	1.2
366.79779	0.8
379.08145	1.8
387.04999	1.1
405.06116	8.7
417.10422	1.7
423.07175	78.9
424.07422	1.6
428.43549	0.9
439.06537	2.5
441.08392	7.4
447.07355	1.2
453.08380	2.2
457.07733	3.7
465.08240	6.7
483.09229	6.3
575.08209	4.3
591.11572	8.4
593.09149	4.6
609.12268	11.8
635.10480	1.7
761.13574	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	761.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.4
69.86279	3.0
81.03436	1.5
82.27393	1.0
83.01405	2.7
90.54029	1.0
90.80748	0.9
93.03454	2.2
95.04997	1.0
98.22602	0.9
105.03455	2.5
107.05013	1.9
109.02937	3.7
111.04514	2.0
114.38060	1.1
121.02970	3.0
123.00864	1.7
123.65783	1.0
124.01680	1.7
125.02444	100.0
126.02752	1.4
131.05045	1.8
133.02957	3.7
135.04518	1.6
137.02443	13.3
139.04001	5.0
147.00995	1.5
149.02446	4.6
149.06061	1.1
150.94879	0.9
151.03998	8.9
159.04503	2.4
161.02452	17.1
162.03223	1.1
163.00389	5.0
163.03976	2.4
164.01160	3.8
165.01883	5.9
167.03537	4.9
169.01424	13.3
173.06090	1.4
175.00336	2.0
175.03995	13.9
177.01924	65.1
177.05559	4.5
179.03491	3.1
183.04597	1.8
187.03964	1.8
189.01933	1.8
191.03516	3.7
193.01434	2.8
193.05054	3.2
197.32397	0.9
199.04053	3.5
201.01918	1.7
201.05519	1.4
203.03587	3.0
205.01321	1.3
207.49736	1.0
213.05463	1.3
215.03542	2.8
217.05074	7.4
219.02963	5.1
219.06636	2.8
220.03214	1.1
221.04611	1.9
225.05446	1.1
227.03516	4.3
229.01349	4.5
229.05043	2.6
241.35609	1.1
241.84209	1.0
243.02945	15.8
245.04501	2.3
253.05017	1.1
255.02974	10.6
256.03796	2.4
257.04437	1.8
260.03397	1.0
261.03995	7.3
269.04614	7.6
271.79901	1.0
273.04047	2.4
283.02429	7.4
285.04013	3.1
287.05566	12.2
297.04062	5.7
301.03479	7.8
303.05075	11.1
305.06686	23.5
313.03482	2.1
315.05118	1.2
319.04556	1.4
327.04959	1.4
331.04471	1.2
337.07074	2.0
379.08020	2.3
387.05212	1.3
392.68002	0.9
397.09494	1.7
405.06183	8.7
423.07196	86.9
424.07520	2.7
439.06680	2.3
441.08157	8.5
447.06857	1.9
453.08289	1.1
457.08029	5.0
465.08148	6.3
483.09332	6.7
546.66901	1.3
575.08301	4.2
591.11377	10.0
593.09589	3.9
609.12506	14.0
635.10303	2.4
749.40137	1.3
761.13617	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	761.1356
Annotation	3-O-Galloylepigallocatechin-(4beta->6)-gallocatechin
Peak:m/z	Relative Intensity
57.03445	10.7
60.39764	0.7
62.73053	0.7
69.03428	1.3
69.37387	3.1
81.03458	2.8
83.01382	3.4
93.03454	1.4
95.01373	1.3
96.96002	1.8
97.02956	1.0
99.04507	1.2
105.03468	2.6
107.01378	1.1
107.05003	1.6
109.02950	4.4
111.04494	2.2
118.96024	0.9
121.02914	3.8
123.00864	3.5
124.01691	1.9
125.02445	100.0
126.02772	1.7
130.04207	0.8
131.05054	1.3
133.02945	2.7
135.04546	1.0
136.22815	0.8
137.01424	1.2
137.02443	16.1
138.03215	1.0
139.03981	5.3
145.55939	0.8
147.00848	0.9
147.04520	1.1
149.02426	5.2
149.06029	1.1
151.04007	9.3
158.03542	0.8
159.04495	1.9
161.02452	15.9
162.03107	0.9
163.00388	4.6
163.03886	1.0
164.01132	3.2
165.01907	8.5
166.02705	1.3
167.03490	13.4
169.01428	20.8
170.01686	1.3
171.04439	1.3
173.05969	1.2
175.00343	2.4
175.03993	11.1
176.01117	1.2
177.01924	60.7
177.05417	5.0
178.02406	1.8
179.02171	0.7
179.03488	4.4
183.04321	1.0
187.03966	3.0
189.01917	2.1
189.05536	1.0
190.02696	1.1
191.03589	3.7
191.76439	0.8
193.01430	1.9
193.05025	3.0
197.06042	1.3
199.04030	4.7
201.01941	2.5
201.05568	1.2
203.03488	2.5
204.04268	0.9
211.04041	1.9
213.05524	1.3
214.02716	0.9
215.03340	1.7
217.05058	7.1
219.02943	2.1
219.06534	3.9
221.04474	1.6
225.05421	1.2
227.03412	3.0
229.01419	4.1
229.04984	1.6
231.03006	0.8
239.03786	0.8
241.05237	1.0
243.02983	15.4
245.04544	1.1
251.03477	1.1
255.02995	12.7
256.03790	1.3
257.04449	2.3
259.02655	1.9
259.06036	0.9
261.04053	19.8
269.04599	7.0
273.04160	4.8
283.02493	7.0
285.04074	4.9
287.05569	8.3
297.04019	3.6
301.03552	5.0
303.05112	8.2
305.06625	23.2
313.03473	2.5
315.05124	1.3
319.04568	2.3
327.04959	1.2
329.06540	2.9
379.08255	1.4
387.05124	1.0
391.15643	0.8
394.49353	0.9
400.04773	0.9
405.06125	8.8
423.07211	71.2
424.07364	4.0
439.06830	1.0
441.08185	7.3
442.08337	0.8
453.08316	0.9
457.07910	5.0
465.08224	5.3
466.08801	1.3
483.09323	6.7
573.10663	1.4
575.08038	4.2
591.11438	7.8
593.08997	3.3
609.12506	10.5
610.13269	0.8
635.10400	2.2
761.13593	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	761.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	10.4
59.01377	1.7
66.01720	1.6
69.03471	2.0
81.03447	2.1
83.01388	2.9
85.92126	1.5
93.03459	3.2
97.02982	2.2
98.17266	1.5
109.02940	10.4
111.04521	5.7
121.02930	4.8
123.00897	3.0
124.01627	2.5
125.02444	100.0
126.02807	1.5
131.05045	1.6
137.02428	25.7
139.03987	13.3
149.02448	6.7
151.04004	2.5
161.02425	4.5
163.00302	2.6
163.04021	4.4
164.01154	3.1
165.01927	9.4
167.03510	12.9
169.01418	12.1
175.04097	8.5
175.05418	1.7
177.01920	68.8
177.05490	2.2
178.02319	2.6
179.03477	7.2
187.04063	3.4
191.03416	1.8
193.04944	1.8
198.03409	1.6
199.04021	3.6
201.01828	1.9
201.05513	2.8
203.03511	4.4
215.03542	4.7
217.05009	3.4
219.06569	5.9
221.04559	5.7
225.05383	1.6
227.03513	3.2
229.05013	4.7
231.03029	3.5
241.05023	2.6
243.02954	6.3
245.04518	2.3
255.02945	11.7
256.03705	5.5
257.04645	2.8
261.04108	2.6
261.07669	2.6
267.02817	2.1
269.04486	3.1
273.04028	4.9
279.03149	1.8
281.04767	2.0
283.02444	6.9
285.04025	22.7
287.05557	3.6
297.04004	8.4
303.05096	10.1
305.06665	30.7
306.07007	1.9
319.04663	4.7
338.73166	1.6
349.26480	1.5
380.38000	1.6
423.07184	60.2
424.07553	2.0
433.25772	1.8
435.07098	2.0
441.08231	18.1
453.08344	12.4
456.04727	1.8
465.08191	15.6
483.09360	8.6
573.10699	1.6
591.11267	15.3
609.12543	27.9
610.13025	2.1
666.01740	1.8
761.13440	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	761.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68829	8.6
61.98830	31.5
69.27663	51.0
71.78523	9.0
90.61906	9.3
99.00977	8.6
101.35812	9.9
104.03830	9.9
174.35245	10.0
209.11821	100.0
227.12874	26.6
253.09514	10.2
255.23326	40.6
279.23358	52.8
353.74591	9.8
438.29199	11.3
445.20609	20.4
497.44156	10.4
761.42786	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	761.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56398	12.6
58.19286	15.6
61.98837	100.0
69.16357	45.2
69.16767	43.1
84.23218	14.9
144.36888	14.9
185.11745	35.2
211.13411	45.8
277.21838	93.1
410.61884	15.0
761.42853	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.5
58.84807	2.7
69.03475	4.7
83.01398	2.6
109.02942	6.3
111.04515	4.3
115.05597	3.1
115.75544	2.7
121.02949	5.1
123.00800	4.0
125.02449	100.0
126.02773	22.9
126.25890	3.0
127.02924	8.1
134.03107	2.8
137.02425	19.4
138.02753	3.2
139.04044	12.6
140.04367	4.2
146.14594	2.4
150.02840	2.7
151.04004	4.0
161.02434	2.9
162.02817	2.8
163.03960	3.7
165.01935	12.7
167.03487	13.8
168.03847	4.7
169.01428	11.9
175.04021	10.0
176.04271	3.5
177.01930	49.2
178.02251	22.6
179.03534	6.8
180.03989	2.8
187.03951	4.0
219.06679	4.7
243.02811	5.3
255.02840	5.8
256.03531	8.0
257.04031	4.1
258.04565	4.1
269.04184	3.5
273.03955	4.6
283.02335	3.1
285.04031	14.4
286.04318	9.9
286.43427	3.1
287.04660	5.0
297.03772	3.4
298.04388	5.9
299.04691	4.2
303.05109	6.2
304.05301	4.4
305.06537	22.5
306.06882	15.4
307.07227	11.1
309.08417	3.1
423.07248	23.9
424.07513	28.6
425.07727	30.8
426.08502	3.3
441.07999	10.2
442.08676	9.5
443.09021	10.3
453.08075	4.6
455.08725	6.7
465.08334	3.7
466.08646	6.8
467.08804	10.3
542.96899	3.2
592.11761	6.4
593.11719	15.4
609.12360	3.8
610.12848	9.7
611.12988	20.9
749.28107	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	763.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52864	3.9
59.01373	12.4
61.70913	4.5
61.98824	5.4
71.01382	10.0
71.16705	4.7
81.53093	4.0
85.02943	10.1
89.02454	9.3
89.07994	4.5
95.01384	7.4
111.24226	4.1
113.02431	10.1
122.95285	4.0
125.02442	9.8
137.02446	5.8
160.86697	4.5
185.39760	3.9
293.17599	7.1
369.57867	5.3
415.22934	4.6
455.35324	8.4
665.01245	4.7
763.42816	100.0
764.42572	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	763.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98802	0.6
71.01361	0.7
78.95906	0.7
80.96509	0.7
98.60947	0.6
103.08743	0.7
111.08089	0.7
117.13138	0.7
137.61978	0.6
156.00804	0.7
196.35245	0.6
201.11411	1.5
209.11813	3.0
210.12099	1.8
225.11256	0.6
253.09343	0.9
255.23270	5.9
256.23608	3.0
275.23746	1.4
277.21765	1.1
322.72754	0.7
397.30978	1.2
427.35605	2.4
429.37289	15.0
430.37708	1.1
473.36334	100.0
474.36697	6.8
763.40576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
59.88071	0.3
61.98827	100.0
69.81319	0.8
88.98814	0.5
96.95983	0.2
99.35537	0.2
103.01495	0.3
104.16347	0.2
125.02405	0.5
169.01532	0.6
209.11842	0.5
211.13387	0.5
223.13258	0.3
224.39159	0.3
279.45850	0.3
331.13852	0.3
359.59836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15015	0.4
59.01369	3.9
59.97662	0.5
61.98829	3.9
63.41787	0.4
71.01371	2.4
73.02954	0.8
78.28091	0.5
81.03455	0.9
83.01385	0.5
83.05012	3.3
84.02164	0.6
85.00948	0.4
85.02943	0.8
86.62205	0.4
87.00842	0.4
88.98795	1.0
89.02451	1.5
94.81519	0.5
95.05031	0.5
101.02426	2.5
103.01465	0.5
109.13324	0.4
113.02431	1.3
119.03536	0.6
122.89309	0.4
125.02417	1.3
135.08180	0.4
138.24655	0.5
156.93362	0.5
161.04515	1.3
163.11278	2.7
165.12833	1.6
169.01413	0.9
179.05482	0.7
180.76823	0.5
183.13881	4.8
191.10774	0.8
193.12318	1.6
209.11821	96.5
210.12157	3.8
211.13387	100.0
212.13771	3.0
227.12883	15.2
228.13068	0.8
235.08223	3.1
253.09261	6.8
291.53162	0.6
429.21173	1.5
445.20773	7.0
447.16241	0.7
447.22336	12.2
448.94037	0.4
463.21860	1.2
621.33051	2.7
622.33069	0.7
639.33655	5.9
640.34613	0.9
657.35114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
70.11177	4.3
71.01393	3.8
85.14789	1.8
88.28223	2.3
89.02423	2.3
97.02917	4.5
99.00865	9.4
102.36655	1.9
109.06560	2.8
117.35481	2.3
125.09675	2.2
149.78120	2.2
158.52312	2.0
163.11304	7.2
181.12296	10.7
183.58269	2.3
207.10254	30.0
225.11317	97.6
226.11641	3.0
243.12347	9.4
277.21722	100.0
278.21957	5.5
332.41479	2.3
443.19205	6.3
461.13766	3.5
461.20270	66.3
462.20654	3.8
511.46036	2.2
718.66602	2.4
721.41760	33.2
722.41980	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	764.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98816	4.0
69.69388	4.6
71.01370	1.6
82.95400	1.5
96.62596	1.5
97.02937	3.1
99.00877	4.6
101.02387	1.9
110.73669	1.3
113.02403	2.3
129.40419	1.3
163.11276	1.8
181.12341	6.7
207.10228	20.6
225.11305	50.0
226.11494	2.1
235.08299	3.3
243.12407	7.2
253.09309	2.7
254.74416	1.3
277.01694	1.4
277.21695	100.0
278.22095	3.9
315.11295	1.3
318.04144	1.4
405.18311	1.6
443.19098	4.8
461.20306	6.9
487.10706	1.5
557.76056	1.8
721.41479	25.1
722.41913	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	765.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60386	0.4
59.01377	1.1
60.99303	17.8
61.98594	0.3
61.98835	4.1
69.80264	0.4
69.94887	1.4
71.01376	1.1
71.02642	0.4
72.99301	1.1
78.84444	0.4
85.00420	0.7
87.00866	3.1
88.00397	1.4
88.98804	100.0
89.02440	60.0
89.99116	0.5
91.45152	0.4
122.39718	0.4
125.55296	0.4
133.13615	0.4
148.90926	0.7
170.97383	0.4
172.95366	0.5
178.41260	0.4
209.25487	0.4
211.13348	2.1
239.38945	0.4
277.21729	1.7
278.16461	0.4
397.13556	3.5
402.95544	0.4
415.14514	1.4
417.09518	0.4
623.50464	0.5
644.60150	0.5
765.25684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70766	0.3
59.01380	7.6
61.98827	4.2
70.20665	0.8
71.01390	1.9
72.99302	0.4
88.98804	0.8
89.02437	1.0
95.01397	0.3
101.02454	1.7
101.56841	0.3
113.02419	0.6
138.83554	0.3
155.10739	0.3
161.04572	0.7
165.12857	0.4
167.10793	0.4
167.14478	0.3
169.01349	0.3
179.05621	0.5
183.13905	6.0
193.12321	1.6
211.13388	100.0
212.13739	3.4
214.25180	0.3
227.12822	0.3
235.08211	1.5
253.09256	3.1
387.25400	0.4
429.21384	2.5
447.22345	12.3
448.22940	0.7
552.29767	0.3
597.33240	0.4
623.34381	4.5
641.35461	5.0
642.35492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
56.14304	1.6
57.03448	2.2
59.01379	59.1
60.03475	1.5
60.86946	1.5
61.98819	2.5
66.30907	1.7
69.03445	1.6
69.29179	3.7
69.29581	6.9
71.01380	41.2
73.02938	6.1
81.03456	1.9
83.01354	2.8
85.02973	12.5
87.00885	4.6
89.02444	37.4
95.01389	3.3
97.02950	4.8
99.00881	2.8
101.02443	28.9
103.17872	1.5
109.02930	5.6
110.03699	1.4
111.00916	1.4
113.02444	14.8
119.03493	14.4
122.10101	1.6
123.04503	1.7
125.02447	20.9
131.03510	6.1
131.97720	1.6
136.05278	1.8
137.02405	10.5
138.03217	3.2
143.03503	3.4
149.02402	1.6
151.04001	8.8
152.01137	1.8
161.04544	6.9
165.05502	1.8
165.12877	1.9
167.03413	2.3
169.01317	2.5
177.01851	2.8
177.16493	4.2
179.05556	9.1
221.06696	6.9
221.15457	55.0
222.15810	2.6
237.15039	1.8
248.14133	2.9
263.07880	3.3
265.14484	2.2
266.15271	14.0
267.15921	3.3
281.17374	3.3
293.17484	2.4
323.09830	39.8
324.10336	2.6
428.14505	2.6
428.20468	75.7
429.20752	5.0
443.22852	86.6
444.23090	5.9
530.28235	1.8
545.26007	100.0
546.26782	8.0
584.32410	1.8
605.28149	79.1
606.28558	6.5
721.32007	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	767.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
60.40330	0.6
60.99009	1.1
60.99306	18.1
61.98833	2.9
69.34196	1.0
69.34588	1.7
71.01392	1.2
87.00889	3.1
87.88084	0.6
88.00411	1.2
88.98803	100.0
89.02440	48.3
101.02440	1.0
125.02422	0.6
148.91037	0.8
171.10313	1.6
171.90160	0.7
209.11626	0.9
235.08305	0.6
279.23398	1.4
397.13531	2.6
415.14752	0.8
417.89822	0.7
636.69324	0.6
640.85840	0.7
767.27899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
60.99304	15.7
61.98825	0.6
69.36761	0.9
71.01369	0.3
85.02932	0.3
85.09775	0.3
87.00878	2.1
88.00407	1.0
88.98804	100.0
89.02441	18.1
89.99131	0.4
90.02830	0.3
101.02426	0.3
125.02470	1.0
137.02466	0.3
167.03476	0.2
171.99394	0.2
175.03989	0.3
177.01988	0.3
205.39619	0.3
210.50861	0.2
213.60109	0.2
236.10492	0.3
328.91357	0.3
580.68646	0.3
627.60413	0.2
677.49744	1.9
721.32886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.1
57.03886	0.6
59.01370	2.3
68.24043	0.6
70.70413	0.8
71.01371	3.1
73.02964	0.8
77.94119	0.6
81.07083	0.8
83.19060	0.6
85.02953	1.1
98.21924	0.6
99.08154	26.8
101.02434	1.1
102.73184	0.6
105.03449	0.6
109.06573	0.9
113.02422	0.9
114.87521	0.7
123.04520	52.2
124.04852	0.6
125.96543	0.6
127.07649	35.4
129.05577	24.1
130.05127	0.9
135.64326	0.5
138.03191	0.8
153.05568	22.5
161.04517	2.9
171.06639	5.5
189.07703	1.3
234.12573	0.9
275.64670	0.7
285.09637	4.6
439.86176	0.6
452.65320	0.6
457.17130	100.0
458.17618	4.1
620.19122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98829	100.0
62.98516	0.1
67.21677	0.1
69.35870	0.7
69.74252	0.1
71.01383	0.3
80.96547	0.1
96.96018	0.2
100.34993	0.1
106.54243	0.1
113.02435	0.2
123.96595	0.1
125.02457	0.3
128.96590	0.1
131.60181	0.1
154.48227	0.2
169.01324	0.3
201.11345	0.2
209.11841	0.5
210.12163	0.3
211.13434	0.2
331.84357	0.2
366.68988	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18703	0.1
56.53774	0.1
61.98828	100.0
63.15205	0.1
65.73009	0.1
69.55185	0.3
116.10631	0.1
154.32335	0.1
211.13416	0.2
212.13788	0.2
216.68710	0.1
240.70102	0.1
306.89771	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	769.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
59.01375	1.2
59.22792	0.4
61.44463	0.4
63.98102	0.4
69.03455	0.8
81.03461	0.9
83.01367	0.5
95.01384	0.5
97.02947	1.1
101.02470	0.7
105.03529	0.5
108.02161	0.8
109.02966	0.9
122.03703	0.9
123.00816	0.8
124.01682	2.1
125.02445	47.8
126.02801	0.6
132.99648	0.4
133.02907	0.4
137.02441	1.8
139.03975	0.8
150.03227	0.9
152.01144	2.0
161.02414	3.1
165.01889	1.3
167.03551	1.1
169.01419	100.0
170.01758	2.0
179.03409	0.5
193.01414	1.3
202.59708	0.5
228.71396	0.5
237.14972	4.6
253.14433	4.8
263.12738	0.5
265.14432	39.5
267.15933	1.0
269.04517	0.9
281.13919	77.1
282.14661	7.4
283.15500	3.8
287.05563	1.9
295.15543	3.3
305.06644	5.3
323.14981	1.0
331.04565	1.8
341.19489	0.5
427.19644	2.4
443.19348	3.0
444.20120	3.4
445.20776	4.2
457.07764	12.8
458.08261	1.1
606.25232	5.1
606.56305	0.5
607.26044	21.5
726.54681	0.5
768.34528	0.5
769.31476	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	769.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	0.4
58.39053	0.3
59.01377	2.3
64.32648	0.3
69.23851	1.5
69.24250	0.7
74.02460	2.9
76.28582	0.3
98.02444	0.5
98.72665	0.3
107.01395	1.0
111.00911	0.4
116.03525	0.7
116.05047	1.1
121.02942	1.2
123.00904	2.4
124.01665	2.9
125.02444	5.8
128.71248	0.4
136.01654	0.6
137.02434	1.1
138.03224	0.5
139.00354	0.5
140.01138	0.4
141.01881	0.4
149.02403	1.9
151.00369	0.8
151.03983	1.0
161.02420	1.0
162.03221	0.9
164.01134	2.2
165.01927	2.7
166.02661	1.0
167.03491	0.4
168.00629	2.6
169.01396	7.1
177.01859	0.8
178.02768	0.6
178.99834	0.7
179.03534	0.8
183.02963	0.9
190.02731	1.8
191.03435	1.1
192.00633	31.5
193.01396	44.9
194.02101	3.2
195.02921	0.5
203.08234	2.2
205.01399	1.4
206.02242	2.0
207.02965	9.6
211.02461	7.0
221.00865	1.0
222.01686	1.8
223.02281	0.6
225.04025	0.7
233.00751	0.5
234.01698	4.9
235.02483	4.7
237.03999	0.7
245.09248	5.1
249.03914	2.2
271.04602	2.2
294.04031	0.6
299.02252	0.4
312.04861	2.7
313.05579	3.1
314.04623	0.6
327.07370	1.7
329.61017	0.4
463.72940	0.4
464.05725	1.1
479.08273	100.0
480.08533	4.8
499.82770	0.4
769.22345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47241	0.4
57.03456	0.4
59.01387	1.8
60.24228	0.3
69.65859	0.7
69.66253	0.8
71.01384	0.7
81.03419	0.8
89.02439	0.5
95.01405	0.4
101.02414	0.8
113.02438	0.4
119.03524	0.4
122.03728	1.0
123.00871	0.9
124.01665	2.6
125.02448	10.7
136.01654	0.6
137.02383	0.9
138.03235	0.8
150.03247	1.0
152.01176	2.5
153.01926	0.6
161.02438	0.6
166.02707	0.7
169.01425	18.4
170.01749	1.0
193.01399	0.5
237.14931	6.4
253.14410	6.3
253.43140	0.4
265.14429	62.5
266.14838	2.9
267.15982	1.2
279.16147	0.5
281.13925	100.0
282.14560	12.8
283.15509	7.3
295.15475	4.2
305.06461	0.7
307.15491	0.6
323.15094	1.9
427.19662	3.8
443.19202	5.1
444.19958	5.6
445.20728	5.8
446.21243	0.4
457.07803	2.1
606.25214	6.8
607.26038	33.8
608.26294	2.2
719.91498	0.4
769.31390	14.9
769.45465	0.7
770.31488	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75962	4.8
60.99299	23.4
70.45224	7.2
75.31468	5.2
88.98806	100.0
89.02430	9.7
92.23027	6.3
105.00948	4.8
123.60164	5.9
151.97154	6.1
171.65044	5.2
193.59747	5.1
207.90295	5.4
275.79568	5.3
348.69080	6.2
384.76489	5.5
654.01440	6.1
752.08813	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	769.4504
Annotation	Tasipeptin B
Peak:m/z	Relative Intensity
57.56539	35.4
83.63865	32.3
157.78017	37.9
169.63615	39.1
209.11812	62.5
255.23181	100.0
385.05206	33.8
453.17194	35.9
769.44855	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
71.43773	1.9
74.57716	1.5
83.18160	1.5
91.10245	1.6
99.00888	5.0
111.00910	2.2
124.01672	2.0
125.02435	6.8
137.02423	2.9
139.00351	6.2
140.01170	3.3
149.09758	1.7
151.04071	1.9
153.01912	1.7
164.04745	1.5
166.99962	1.5
167.10747	3.3
168.00507	1.6
169.01447	7.5
177.01868	2.9
177.09171	2.8
179.07161	14.8
187.55980	2.0
192.00684	2.2
193.08577	1.5
205.08672	3.7
209.08189	9.0
216.46738	1.8
223.06059	8.4
224.80275	1.5
227.09192	12.3
237.07690	5.2
239.09245	10.9
249.07693	3.7
253.07216	4.8
255.08690	33.5
266.07922	1.7
267.08731	54.9
269.10269	1.9
281.06512	2.4
282.07413	1.9
283.08224	100.0
284.08841	6.2
385.11560	11.0
429.14090	21.9
445.13644	5.2
446.14093	1.8
474.33533	1.7
591.19354	14.1
608.19763	5.2
609.20325	17.5
746.64319	1.7
771.25592	57.3
772.25525	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	771.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01471	0.2
55.01883	0.9
57.03447	0.5
59.01377	100.0
60.01723	0.3
69.03448	0.7
69.53648	0.4
69.54045	0.4
70.35236	0.2
70.67792	0.2
71.01381	9.4
73.02939	3.7
79.01903	0.3
81.96262	0.2
83.01369	1.4
85.02950	4.6
87.00875	0.4
89.02447	2.6
89.02950	0.3
95.01411	0.9
96.64832	0.2
97.02966	0.7
99.00873	1.7
101.02441	7.7
107.01411	0.8
113.02438	4.3
114.58827	0.2
119.03587	0.2
125.02461	1.4
131.03531	0.4
135.00887	3.1
143.03497	0.6
149.04555	1.8
151.00357	0.3
159.03012	0.9
161.02559	0.3
161.04550	4.2
166.02699	3.0
167.03479	5.0
169.01434	0.3
177.01894	0.3
179.05800	0.2
190.96356	0.2
191.05608	0.3
192.00739	0.4
192.58597	0.2
193.01352	0.4
193.04984	0.4
231.62749	0.2
269.10306	10.8
270.10815	0.3
282.25195	0.2
291.09061	0.3
311.07773	4.7
311.11444	8.8
415.15945	2.6
435.16037	0.2
479.08252	0.4
480.08649	0.6
481.09198	0.8
747.57593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03439	0.6
59.01379	100.0
60.01717	0.6
69.03471	0.3
71.01382	9.5
73.02950	3.9
75.69778	0.3
83.01391	1.6
85.02952	5.1
85.13832	0.2
87.00877	0.4
89.02447	1.7
95.01400	0.8
97.02967	0.5
99.00887	1.5
99.01443	0.2
101.02443	8.3
113.02457	4.2
125.02466	1.2
129.01985	0.3
135.00908	0.4
143.03511	0.8
149.04553	0.4
159.02975	1.2
161.04556	5.1
166.02711	0.4
167.03535	0.8
169.01350	0.3
192.00671	0.7
193.01387	0.8
207.79088	0.2
253.18335	0.2
269.10294	11.1
270.10944	0.4
291.09158	1.1
311.07825	0.7
311.11322	11.3
312.11816	0.4
415.16101	1.4
415.23254	1.8
416.24225	0.2
464.07260	0.3
479.08524	1.0
480.08801	0.9
481.09024	0.7
609.24677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
57.03428	0.9
59.01374	16.9
71.01375	7.7
71.45122	0.4
73.02920	0.7
83.01402	0.8
85.02937	2.3
87.00870	0.6
89.02432	7.9
95.01416	0.6
95.51637	0.3
96.96001	10.8
97.43974	0.3
99.00864	0.4
99.08144	7.9
101.02428	6.2
106.12934	0.3
109.02962	0.3
113.02441	4.0
119.03491	3.8
121.02954	0.3
125.02435	4.0
127.07652	1.7
129.09203	0.8
137.02438	0.5
138.86226	0.4
139.04053	0.5
141.09189	0.9
145.08694	31.4
146.09024	0.8
151.03999	0.6
161.02324	0.4
167.03458	1.3
168.00580	0.4
169.01363	0.3
174.69829	0.3
177.01907	1.7
179.05588	0.5
183.02982	0.6
187.09718	1.2
243.02937	0.3
255.02948	0.3
259.02652	0.5
261.04327	4.6
307.13947	100.0
308.14294	3.7
463.21942	0.5
468.79980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.8
59.01372	6.0
61.98827	1.6
69.03461	1.7
69.32893	6.5
71.01364	3.0
71.05015	2.6
78.27070	1.1
81.03453	23.6
83.05013	3.2
85.02940	1.6
89.02439	1.7
95.05005	2.5
97.06558	1.6
99.00870	1.6
106.84674	1.2
107.04977	1.3
109.02930	1.5
109.06559	2.1
113.02457	1.3
115.07476	1.2
121.02951	1.4
122.03737	1.8
123.04520	51.9
124.04865	1.5
125.02451	16.4
135.04521	8.7
137.02451	4.1
137.09720	6.8
147.04533	1.5
149.02414	2.2
149.06062	1.5
161.02423	2.1
161.06059	2.2
163.07632	2.2
167.03404	3.9
169.01390	4.2
177.01889	8.9
181.12373	1.4
192.00658	4.6
193.01399	2.2
193.08650	1.4
207.02939	1.8
207.10231	4.7
222.71710	1.3
235.13414	2.9
243.02890	2.5
245.11754	3.4
303.05084	2.2
305.06702	1.5
331.18997	3.3
341.21042	1.5
343.22797	11.1
361.23828	57.0
362.24280	2.4
369.20645	2.2
385.23862	3.3
387.21774	24.6
395.10806	1.7
405.22858	32.0
406.23016	1.2
413.21780	2.0
429.23065	2.3
431.20715	6.1
493.09671	5.7
549.26819	3.2
567.27655	2.6
593.26007	7.4
755.31207	10.9
773.32294	100.0
774.33038	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	773.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.8
59.01379	6.6
61.98815	1.5
65.68827	1.1
66.23431	1.0
69.03431	1.2
69.24615	3.7
69.25012	2.9
71.01372	3.0
71.05007	2.5
73.02953	1.7
81.03453	23.1
83.05034	2.7
83.30103	1.1
85.02920	1.3
87.81696	1.0
89.02464	1.4
96.95996	3.3
97.02903	1.2
97.06561	1.1
98.22637	2.5
99.00883	1.1
101.02415	1.5
109.02898	1.6
109.06573	1.3
113.02412	2.2
117.06213	1.0
122.03738	3.3
123.04524	59.1
123.08183	1.3
125.02444	16.0
135.04509	10.1
137.02487	1.8
137.09743	6.6
139.04085	1.2
139.07639	1.5
147.04503	2.2
149.06023	1.6
163.11263	1.3
165.01926	1.6
167.03473	3.5
169.01404	4.5
175.03970	2.1
177.01915	11.0
187.07756	1.1
192.00571	5.7
193.01398	2.6
207.03156	1.3
207.10239	3.7
217.05098	1.5
223.09731	1.3
235.13358	3.1
243.03157	1.2
245.11742	1.8
281.04578	1.3
300.04474	1.2
331.19058	3.4
341.21298	1.8
343.22757	13.2
361.23831	53.1
362.24185	3.9
369.20578	2.7
385.23965	2.7
387.21701	23.6
388.22073	1.7
389.06577	1.5
405.22772	31.9
406.22949	1.7
413.21780	1.6
429.22931	2.6
431.20801	6.1
493.09735	4.6
549.27155	1.9
567.27905	2.3
593.26031	5.8
619.39569	1.2
755.31329	11.2
760.35016	1.1
773.32355	100.0
774.32599	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	773.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43552	1.2
78.95924	2.5
79.95741	1.8
94.92522	1.3
96.92220	3.1
96.96011	100.0
96.96994	3.4
138.85712	0.9
177.02026	1.1
442.08936	1.2
561.44348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
59.18782	0.3
61.98825	0.5
68.81751	0.2
69.67799	0.2
71.01377	0.8
78.01135	0.3
78.95905	2.2
79.95738	3.3
88.77670	0.3
94.92509	0.5
96.92197	0.7
96.96008	100.0
160.09575	0.2
169.12430	0.3
171.10286	0.4
209.11781	0.5
210.12247	0.3
219.17444	0.5
225.11493	0.4
248.72154	0.3
262.41226	0.3
279.15863	0.3
281.17593	0.7
293.21271	0.5
325.16589	0.3
361.04355	0.3
366.14151	0.5
367.14145	0.5
397.13406	0.3
449.79865	0.3
453.09299	0.9
461.21350	0.3
614.21625	0.3
713.31030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.2
59.01366	3.1
65.00351	0.8
69.23869	4.3
83.01388	2.9
91.56788	0.9
93.03468	2.6
95.01341	1.0
95.04976	1.6
97.08304	0.9
98.22561	2.3
105.03478	2.2
107.05016	1.4
109.02942	4.0
119.04960	1.0
121.02911	3.6
123.00877	1.5
123.04504	3.9
124.01655	1.7
125.02443	100.0
126.02734	1.3
131.05013	2.6
132.02211	1.1
133.02939	4.0
137.02435	16.4
139.03967	1.2
147.00836	1.1
149.02437	7.2
151.04004	12.7
159.04555	1.4
161.02428	23.6
163.00386	7.1
163.03961	2.8
164.01143	2.0
165.01878	3.7
166.02673	1.7
167.03453	3.2
169.01413	2.2
173.06070	2.2
174.03270	1.2
175.00395	4.8
175.04005	18.6
177.01923	88.1
177.05367	5.1
178.02316	1.6
183.02931	1.6
183.04480	1.5
187.03946	2.9
189.01981	2.1
190.02538	1.7
191.03497	4.1
192.00583	1.1
193.01373	1.0
193.05058	3.9
199.04016	6.5
201.01883	3.0
201.05544	3.5
203.03499	2.5
205.05183	1.0
208.57372	0.9
213.05539	1.3
215.03453	3.0
217.05042	11.4
219.02969	5.6
219.06427	1.7
221.04442	1.3
225.05666	1.5
227.03445	5.8
229.01439	4.4
229.04988	3.4
233.04462	1.1
237.91811	0.9
241.05046	2.1
243.02960	33.1
243.06573	2.1
244.03323	1.3
245.04456	3.1
255.02959	10.5
256.03714	2.0
257.04529	2.1
261.04007	8.7
269.04514	11.9
273.03943	6.4
283.02432	2.4
285.03940	3.2
287.02515	1.6
287.05609	18.0
297.04010	2.8
301.03513	7.7
303.05017	10.4
305.06638	3.2
313.03574	4.5
315.05145	2.2
317.12537	1.5
327.04990	1.7
333.06522	1.0
337.07178	1.6
361.07129	1.1
364.02896	0.9
379.07968	2.0
387.05029	1.0
387.16498	1.7
405.06155	16.0
423.07208	44.6
424.07474	2.5
439.06586	2.8
441.08246	2.4
447.07062	1.9
452.07449	1.5
453.08258	2.3
465.08231	7.0
471.09305	4.4
473.80481	0.9
483.08929	1.8
573.10461	1.0
589.09662	9.1
591.11450	9.0
607.10736	7.7
609.12347	2.1
649.11908	2.5
775.15094	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.6
57.30719	0.9
59.01373	2.5
64.25645	0.8
65.03967	0.9
67.69113	0.8
69.03459	0.9
69.46688	3.3
71.01391	1.8
73.02940	1.2
81.03442	2.5
83.01389	3.3
85.02928	1.4
93.03457	2.4
93.75860	0.8
95.04985	1.1
101.02432	0.9
105.03454	2.4
107.05022	1.4
109.02950	5.1
113.02505	1.0
119.04999	1.3
121.02919	3.9
123.00941	1.2
123.04488	1.9
124.01637	1.3
125.02441	100.0
126.02774	2.2
131.05014	1.3
133.02933	5.0
135.08139	4.5
137.02440	19.0
139.04008	2.0
147.00905	1.7
147.04495	1.6
149.02431	8.0
151.04016	10.6
153.01926	1.6
155.05139	0.8
159.04550	2.2
160.01701	1.1
161.02437	22.4
162.03111	1.3
163.00314	5.5
163.04001	1.7
164.01144	1.9
165.01855	3.5
166.02695	1.1
167.03537	4.4
169.01433	1.8
171.95448	0.9
173.06126	1.0
174.03087	1.1
175.00380	3.1
175.04007	18.6
176.01105	1.1
176.04419	1.2
177.01923	82.0
177.05525	3.8
178.02225	2.1
179.03510	2.0
179.07130	17.6
179.10562	1.0
183.04585	1.2
185.06036	1.1
187.04105	4.1
189.01880	2.7
191.03493	3.4
192.00716	1.2
193.01761	0.9
193.05067	3.0
197.06097	1.0
199.03984	6.7
201.01871	2.4
201.05565	3.0
203.03500	2.4
205.04982	1.2
207.10272	3.3
211.03940	1.6
211.07852	0.9
215.03435	2.6
217.01639	0.9
217.05038	12.2
219.03024	6.2
219.06573	2.4
219.13910	2.4
221.11783	7.2
225.05508	1.9
227.03491	3.2
229.01360	3.0
229.04996	3.0
231.02907	1.0
235.13332	1.6
241.05122	1.3
243.02948	30.0
243.06683	1.2
244.03291	0.8
245.04353	1.4
247.02449	1.4
253.05005	1.2
255.02980	10.8
256.03781	1.0
257.04480	1.5
259.05966	1.0
261.03967	8.1
265.05005	1.0
267.02942	1.5
269.04529	8.3
273.04034	8.6
279.02600	0.9
283.02347	1.5
285.03976	1.6
287.05566	13.8
297.04074	2.6
298.04694	1.0
301.03342	5.5
303.05078	9.9
305.06656	3.5
313.03580	2.1
315.05200	2.3
327.23267	2.3
337.07401	1.3
341.12283	1.4
345.24417	5.9
359.05646	1.0
361.23798	2.6
363.25369	23.8
379.08203	2.0
387.04956	2.0
389.23322	7.8
405.06119	14.4
406.06104	1.0
407.24326	13.4
423.07184	32.7
424.07520	2.3
427.06558	1.2
433.22049	2.8
439.06808	1.8
441.08218	2.2
447.07645	1.2
453.08151	2.2
465.08273	5.8
471.16132	1.7
562.07599	0.9
589.16956	8.6
590.16718	1.0
591.11359	7.7
592.12268	1.0
595.27753	2.0
607.18036	15.2
649.19470	2.0
757.32874	3.7
775.21521	7.2
775.33990	34.7
776.21741	1.5
776.34857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01373	0.7
69.03443	0.5
71.01376	0.5
81.03461	0.7
83.01374	0.5
83.05032	0.8
84.35754	0.3
85.02950	0.4
87.26460	0.3
93.03448	0.6
95.01377	0.5
95.05033	0.3
97.02984	0.7
98.49665	0.3
99.00884	0.3
102.12615	0.3
106.04237	0.3
107.05040	0.6
108.02159	0.8
109.02967	1.1
109.06625	0.4
110.00072	0.3
111.08145	0.3
121.02946	2.1
121.06606	1.0
122.03731	3.6
123.00932	0.6
123.04511	0.9
124.01656	8.1
125.02450	7.6
126.02795	0.5
126.96988	0.3
133.02982	0.3
133.06607	0.4
134.03741	0.8
135.04517	0.9
135.08176	3.8
136.01657	0.5
137.02434	1.7
137.03357	0.3
137.06079	1.8
137.09691	0.4
137.82088	0.3
138.03270	1.8
139.07664	1.3
144.28378	0.3
145.06560	0.8
148.05336	0.3
149.02477	0.3
151.04019	1.1
151.07648	0.6
152.01151	0.3
153.09209	2.0
161.02419	1.1
161.06070	0.9
163.07646	40.5
164.07990	1.0
165.01955	0.5
165.05566	0.9
167.03499	1.0
169.01418	1.3
175.04059	0.7
177.01897	4.0
177.05467	0.7
179.07100	4.9
180.07761	0.7
181.08702	12.2
182.09035	0.5
183.06589	0.8
187.03935	0.4
189.05553	0.6
195.06575	0.3
197.08160	1.7
207.06618	26.5
208.07005	1.0
217.05096	0.5
219.02896	0.3
219.88866	0.3
223.05992	0.4
224.06906	2.8
225.07674	100.0
226.08038	4.4
243.03046	1.6
247.06068	0.3
255.03049	0.8
256.03772	0.3
269.04367	0.3
285.04044	0.5
287.05432	0.6
291.95145	0.3
305.06567	0.3
316.71689	0.3
327.05557	0.3
387.12943	94.6
388.08701	0.5
388.13312	5.7
405.06256	0.4
423.07126	1.7
453.08060	0.4
465.08240	0.5
545.25397	0.3
775.23071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.5
69.39706	10.6
69.40096	6.0
71.01421	5.0
93.03481	4.0
96.96001	6.6
100.16171	3.4
109.02956	6.5
121.02966	7.6
122.03725	14.7
123.04526	4.0
125.02451	14.0
131.04987	3.9
133.03008	3.4
137.02420	15.1
149.02464	19.9
150.03227	93.3
151.00356	11.3
151.03966	5.2
164.04668	6.0
165.05568	100.0
166.02705	33.9
167.03494	6.7
169.01299	4.2
177.01907	10.7
179.10744	9.6
180.04253	7.1
181.05072	35.5
187.04077	3.5
195.04991	3.9
195.06627	43.9
195.96614	3.7
205.05025	6.7
220.07347	4.5
255.02916	6.1
271.02319	6.7
300.02744	16.2
301.03415	13.7
387.14661	8.0
402.13120	6.5
417.15567	62.4
447.09100	39.5
565.20795	60.1
595.22009	5.0
595.32861	4.0
613.22705	47.1
731.36584	4.3
775.34167	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	775.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.5
58.00572	1.2
59.01368	3.1
68.98560	0.9
69.33574	3.6
71.01382	1.6
73.02956	4.4
76.50713	1.0
81.03448	3.0
83.05032	1.1
85.02945	1.0
96.95993	0.9
113.02444	1.4
122.03632	0.9
123.04494	2.9
125.02424	3.2
135.04562	1.6
137.06023	1.1
137.09698	3.7
151.11256	1.7
153.12860	2.8
167.03322	0.9
170.54028	0.9
175.07617	1.0
177.01950	1.8
179.10750	4.6
193.12334	2.1
207.10191	6.4
221.11803	5.8
235.13347	1.0
237.11324	1.9
243.03052	1.2
251.12868	2.8
325.21490	1.1
327.23196	6.2
345.20490	1.7
345.24371	16.4
346.24725	1.2
361.23837	6.4
363.25397	62.9
364.25876	4.5
371.22244	1.7
387.25497	2.2
389.23358	23.6
390.23767	1.9
407.24377	35.4
408.24850	3.1
431.24493	2.5
433.22318	7.1
449.25708	1.4
551.28754	1.4
569.29584	1.5
595.27771	6.4
757.32837	8.5
775.33899	100.0
776.34259	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	775.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97594	4.0
59.01374	4.7
61.98827	16.3
65.31082	4.8
66.48984	4.4
68.82537	4.7
70.32946	11.5
73.02962	4.3
98.21924	5.6
101.02459	4.7
123.53039	4.0
152.99568	4.8
155.10768	4.9
171.10237	17.7
199.09752	16.9
201.11288	4.9
207.10268	25.2
225.11319	29.3
246.94463	4.8
253.09300	12.6
277.21719	100.0
282.60715	4.3
285.60028	4.3
339.84885	4.6
356.89743	5.3
435.18622	6.3
443.19104	14.3
461.20303	9.9
513.30627	9.5
522.99506	3.9
695.39886	30.7
721.41571	42.2
775.40637	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	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77143	1.9
58.35974	2.1
59.01378	2.1
60.86227	2.0
61.52332	2.0
61.98830	14.6
62.80286	2.0
70.96294	2.5
71.01372	3.1
73.02947	3.4
73.92860	2.0
78.95903	3.8
79.15872	2.0
101.02462	2.2
109.06561	3.7
152.99532	2.3
161.04555	3.4
163.11218	4.4
171.10265	24.6
181.08621	2.5
187.66138	2.1
199.09814	16.2
207.10286	23.5
225.11339	30.2
235.08200	7.2
253.09326	13.0
277.21713	100.0
278.21832	2.5
311.56522	2.3
407.18707	2.4
443.19165	8.1
461.20331	10.8
471.16333	2.5
513.30695	5.3
695.39948	43.8
696.39539	2.7
703.40967	3.1
721.41687	29.1
722.41327	3.0
775.39972	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26105	100.0
90.33414	20.8
94.78106	20.1
104.06014	20.4
126.15588	19.0
183.03337	19.7
256.20010	21.1
300.53964	22.9
363.27133	23.6
368.04507	21.4
601.40900	21.9
640.01306	25.3
666.00598	22.1
745.89264	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	775.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01371	0.3
69.49403	0.4
71.01379	0.3
78.95904	2.4
79.95742	2.9
90.08396	0.1
94.98080	0.2
95.97643	0.2
96.96013	100.0
96.96895	3.8
97.95936	0.3
99.00884	0.1
109.02987	0.2
123.04521	0.2
125.02457	1.0
129.70410	0.1
137.02435	0.3
153.05579	0.2
155.24045	0.1
161.02441	0.2
165.02005	0.2
167.03539	0.2
175.03986	0.2
177.01877	0.6
180.04407	0.1
194.05898	0.1
197.04564	0.5
243.02989	0.1
269.06808	0.2
287.05597	0.2
363.25363	0.3
366.72290	0.1
389.23346	0.2
405.06152	0.2
407.24380	0.3
423.07306	0.2
613.21783	0.2
621.15753	0.1
641.38580	0.1
775.33344	0.5
775.47217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.1
61.98819	5.6
71.45147	1.2
79.95717	3.5
83.16478	1.1
94.92506	7.2
96.92210	1.4
96.96008	100.0
110.25903	1.3
171.10248	1.6
195.18126	1.3
200.30330	1.4
201.11241	1.9
209.11786	4.6
277.21689	5.5
310.45575	1.5
451.05460	1.5
487.30701	1.4
627.86212	1.5
777.41199	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	777.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
67.01929	0.3
69.03448	0.7
72.33140	0.2
75.11372	0.2
76.88842	0.2
79.01874	0.2
81.03450	1.0
83.01393	0.4
91.71506	0.2
95.01392	0.4
95.05032	0.5
97.02946	1.4
103.05537	0.2
105.03474	0.5
107.01413	0.8
109.02954	0.8
111.04540	0.4
123.00870	0.9
124.01658	0.9
125.02447	56.2
125.30264	0.2
126.02795	1.0
137.02441	1.9
139.04015	0.9
147.04504	0.5
149.02457	0.6
149.06065	0.3
151.00417	0.3
161.02451	4.1
163.03992	0.3
164.01180	0.2
165.01941	1.3
166.02757	0.3
166.99901	0.3
167.03470	1.6
169.01422	100.0
170.01765	1.2
175.00394	0.2
175.03998	0.4
177.01852	1.0
177.05544	0.5
179.03575	0.9
181.37784	0.2
191.03482	3.8
193.01418	1.8
193.05090	0.3
199.04065	0.3
203.03537	0.4
219.06610	0.8
221.04533	0.5
227.03452	0.4
229.01338	0.2
231.78140	0.2
233.04469	0.6
243.03065	0.3
244.03238	0.2
261.07492	0.3
269.04507	0.7
275.11316	0.3
287.05609	1.8
305.06668	5.4
311.07733	1.7
319.04599	0.6
331.04556	1.5
455.06274	0.2
457.07761	12.9
458.07816	0.7
465.07672	0.2
474.22589	0.2
600.26208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
61.98827	4.9
71.00277	2.9
71.01387	2.4
72.62339	2.5
78.95910	2.9
79.95699	3.0
84.59170	2.0
85.17641	2.2
90.66164	2.2
96.96007	100.0
124.69279	2.5
125.02504	3.1
141.73317	2.4
201.11267	17.3
209.11833	45.2
223.13448	4.1
227.12892	12.7
235.08134	10.9
253.09181	10.6
277.18686	4.1
277.21725	84.0
278.22092	3.8
278.37943	2.4
293.21204	4.2
445.20792	6.7
463.21777	2.7
513.30151	11.7
583.82343	3.1
739.39911	2.5
777.42133	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	779.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76066	0.2
57.03447	1.5
59.01378	0.4
60.03904	0.2
60.20844	0.2
67.01891	0.2
69.03439	0.9
70.01268	0.2
70.01621	0.4
79.01890	0.4
81.03461	1.2
83.01394	0.5
95.01424	0.3
95.05039	0.3
97.02960	1.1
105.03477	0.5
107.01394	0.6
109.02961	0.4
111.04526	0.2
121.02970	0.2
123.00899	0.5
124.01669	0.5
125.02446	52.8
126.02784	0.6
133.02946	0.2
137.02438	1.5
139.04019	0.6
149.02460	0.3
160.24304	0.2
161.02435	4.1
164.01155	0.3
165.01949	0.9
166.99849	0.2
167.03510	1.3
169.01422	100.0
170.01759	1.5
177.01968	0.2
177.05573	0.3
179.03481	1.2
193.01396	1.4
197.58420	0.2
201.05424	0.2
203.03448	0.2
205.01382	0.2
219.06714	0.8
221.04509	0.5
225.05717	0.2
243.06679	0.2
269.04495	0.9
279.14343	0.2
287.05594	1.7
305.06668	5.0
306.06897	0.2
319.04437	0.5
320.95453	0.2
331.04575	1.4
385.84549	0.2
457.07755	14.2
458.07779	0.4
711.73932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.5
61.98829	2.1
70.31613	0.2
70.49052	0.5
75.00874	0.9
102.45970	0.2
102.94128	0.2
102.95692	0.4
103.00370	5.1
103.01493	72.5
104.01846	0.3
105.01929	0.3
114.47636	0.2
184.51036	0.2
277.21732	0.2
419.62079	0.3
573.18353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19681	0.4
59.01380	2.4
61.98814	2.1
71.01379	1.3
71.43703	0.5
73.26234	0.4
80.02689	0.7
81.03437	1.1
83.01385	0.7
83.05017	3.3
83.19118	0.5
84.02140	0.7
87.00859	0.7
88.98790	1.0
89.02442	1.2
95.05031	0.7
96.96003	0.9
101.02441	1.3
101.19243	0.5
113.02435	0.6
113.11176	0.4
125.02432	1.5
128.60834	0.4
144.13628	0.4
149.67918	0.5
161.04524	0.5
163.11316	2.2
165.12808	1.7
169.01454	1.0
171.10272	0.6
175.12497	0.5
188.63821	0.6
191.10745	0.8
201.79750	0.5
209.11815	100.0
210.12131	1.6
227.12877	13.6
228.13161	0.5
235.08244	1.7
253.09279	5.0
332.75558	0.6
439.37811	0.5
445.20825	5.5
465.24615	0.5
492.22324	1.5
637.32092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.9
59.39384	0.8
71.01379	8.4
72.99304	1.9
78.86093	0.8
78.95899	44.8
85.02933	1.0
87.00876	1.7
89.02438	13.9
96.96037	15.8
96.96954	100.0
97.64866	0.8
101.02435	4.8
113.02452	4.3
114.67445	0.7
115.00330	0.8
118.41031	0.7
119.03510	5.4
125.02424	0.9
131.03439	1.3
133.01457	1.2
137.02444	0.7
143.03516	1.0
161.04451	1.2
177.01926	1.0
177.80380	0.7
179.05594	3.9
225.15532	0.8
341.10834	38.3
423.07376	1.0
438.90762	1.7
439.08566	31.4
507.61591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.6
61.68962	0.2
66.64972	0.3
69.15753	1.1
74.25026	0.2
82.02505	0.3
98.22697	0.4
103.00347	0.3
137.09706	2.4
155.10774	100.0
156.11076	2.7
157.08676	0.9
169.01505	0.3
171.10265	5.9
181.08656	0.3
199.09749	16.4
200.10181	0.3
215.12790	0.3
217.10789	28.2
218.11139	1.0
240.01048	0.3
259.11841	48.4
260.12241	1.9
271.02405	0.8
287.01907	1.5
303.10724	0.4
315.01474	3.1
316.02188	2.6
331.04620	1.4
433.92328	0.3
469.67395	0.2
477.10245	2.7
478.10779	0.3
693.68091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01380	4.3
63.86369	0.4
69.03444	0.8
69.72308	1.1
71.01392	1.9
72.93365	0.4
81.03456	1.2
83.01425	0.5
89.02457	2.6
91.10179	0.4
95.01432	0.5
96.95998	0.6
97.02947	1.1
101.02444	1.5
105.03468	0.6
109.02961	0.5
113.02434	0.9
119.03519	0.9
121.02947	0.4
123.00876	0.7
124.01638	0.8
125.02443	57.2
126.02800	1.2
137.02420	1.7
139.04041	1.0
149.02417	0.4
155.96878	0.4
161.02428	4.0
165.01920	1.5
166.99829	0.4
167.03508	1.7
169.01419	100.0
170.01761	2.4
177.01927	1.4
177.05467	0.5
178.02391	0.5
179.03462	1.0
182.71004	0.3
193.01402	1.4
208.01462	0.3
219.06607	0.5
222.79036	0.4
227.03458	0.4
243.03160	0.5
243.06589	0.4
269.04486	0.6
280.01456	0.4
287.05688	1.7
305.06665	5.5
319.93677	0.4
323.13440	7.4
324.13855	0.5
331.04559	1.5
430.51202	0.4
457.07727	16.1
457.14072	0.8
458.08072	1.0
611.50824	0.4
613.11511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03435	5.0
59.01379	55.7
61.98826	5.5
69.22305	4.2
69.22710	6.8
71.01380	52.7
73.02958	10.9
73.28522	2.0
75.00865	2.0
82.22987	1.7
83.01382	5.7
85.02949	18.6
87.00878	3.2
88.98776	3.1
89.02446	25.3
93.77242	1.9
95.01382	4.5
97.02950	4.7
99.00864	5.4
101.02453	33.1
108.95414	1.9
110.00103	1.7
113.02472	22.3
119.03490	8.7
124.01679	5.1
125.02445	24.0
129.01865	2.0
131.03522	2.8
137.02426	2.8
139.00357	2.5
143.03539	4.6
159.02979	3.5
161.02458	2.7
161.04552	12.9
165.01715	2.0
167.03531	2.7
169.01414	6.6
177.01884	2.9
177.09328	1.8
192.00601	8.1
193.01443	2.3
193.05026	2.9
198.70924	2.3
221.06625	3.7
261.15036	2.3
287.05905	3.3
287.10538	6.3
287.14841	2.4
289.14563	2.9
307.15494	20.7
308.15692	2.2
323.15024	23.2
324.15540	3.8
335.23685	2.0
397.22195	5.6
493.09723	9.1
559.27582	18.4
619.27118	2.8
649.27417	10.1
699.89661	2.4
721.32849	100.0
722.33209	10.2
781.31287	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	781.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98817	1.8
70.34628	2.5
71.01354	1.7
85.79254	1.1
98.22019	1.3
99.52129	1.1
108.02180	1.7
123.00903	1.2
124.01629	2.8
125.02418	2.7
132.54916	1.0
135.58359	1.0
136.89224	0.9
137.02441	1.2
152.01178	1.5
153.01953	1.1
215.37701	1.0
249.18562	7.0
265.18182	6.3
277.18060	43.2
278.18521	3.2
288.32104	1.1
293.17566	100.0
294.18170	11.6
295.19040	8.0
307.15915	1.0
307.19009	5.0
335.18640	1.6
439.23300	4.0
455.22986	3.3
456.23538	6.5
457.24484	10.9
461.83850	1.2
609.36121	1.0
618.28876	10.6
619.29651	34.9
620.29785	1.4
781.34937	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	781.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.3
61.98825	0.6
69.68210	0.9
74.49796	0.3
75.00876	0.7
78.49618	0.3
86.41872	0.2
86.98348	0.3
88.14024	0.2
98.63068	0.2
102.95687	1.1
103.00365	4.9
103.01492	78.4
104.01814	0.3
163.77455	0.3
211.13358	0.9
284.77347	0.2
657.79401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.8
59.68084	0.7
60.99310	1.2
61.98825	5.1
71.01372	3.3
77.75935	0.7
80.02676	0.7
81.03450	1.3
83.05026	4.2
87.00845	0.7
88.98808	5.6
89.02438	2.9
101.02429	1.8
113.02424	1.1
125.02406	0.7
161.04570	1.6
163.11273	3.1
163.83856	0.6
165.12831	1.8
167.14343	1.3
181.12398	0.8
183.13887	4.8
193.12306	1.4
197.11761	0.9
209.11815	94.9
210.12143	3.4
211.13383	100.0
212.13727	4.0
227.12880	13.4
235.08208	3.5
253.09348	7.2
379.57144	0.7
429.21158	1.7
445.20731	6.5
447.22269	10.4
621.32953	2.2
639.33795	5.7
640.34991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	0.5
61.87424	0.3
70.41800	0.3
71.01373	1.5
73.02943	0.5
75.00874	1.4
83.01370	0.3
83.05023	0.3
85.02969	0.7
89.02453	1.1
101.02446	1.3
103.00372	6.6
103.01494	86.3
113.02439	0.8
125.02442	0.9
138.55194	0.3
149.06050	0.3
151.03973	0.3
161.04552	0.3
169.01375	0.5
179.05666	0.5
559.27319	0.4
579.30664	0.3
677.49286	1.1
678.48657	0.3
721.32349	2.0
722.33057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.47
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.0
61.98832	1.8
62.14508	0.8
65.42265	0.8
70.19646	0.8
71.01370	0.8
71.43998	0.9
80.96526	1.3
89.02456	1.0
101.02466	0.9
103.38394	0.8
121.71863	0.7
161.04570	1.4
179.05635	1.0
183.13916	3.5
193.12303	1.1
194.90178	0.7
207.94788	0.9
211.13391	100.0
212.13763	4.1
235.08339	2.0
253.09224	5.4
277.21722	58.1
278.22192	3.7
429.21191	1.8
447.22342	13.5
474.04065	0.7
641.74792	0.9
707.43921	1.7
764.42340	0.9
782.40594	2.4
783.42584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.3
66.03468	1.2
69.64635	1.4
69.64996	1.4
71.02464	0.6
80.05022	0.7
82.06614	2.8
82.14227	0.6
82.45602	0.6
87.05652	3.9
96.96003	2.3
97.04105	1.0
98.22643	1.1
98.95583	1.4
103.60818	0.6
112.07684	1.8
113.03545	1.0
121.04069	1.3
127.08730	1.6
129.09407	1.0
129.10347	17.6
130.08701	2.7
131.04987	1.0
139.08777	3.8
140.07175	3.9
146.06105	1.6
151.08749	0.8
153.10347	1.6
155.08264	3.4
155.11923	1.4
164.09546	5.1
164.69603	0.7
165.10307	3.9
167.08313	1.6
174.05612	0.7
180.11378	1.1
182.12979	2.8
183.11369	2.5
184.30856	0.6
195.15041	1.7
197.16599	2.9
199.18164	0.8
200.13998	5.5
207.15024	17.0
208.13524	0.9
214.12320	1.0
216.13895	0.9
224.17680	7.0
225.16112	4.0
241.13394	2.9
242.11841	2.9
242.18715	13.7
259.14542	3.7
265.14804	1.6
266.15176	1.0
267.14270	1.1
268.16663	1.2
268.20392	1.1
276.17145	1.0
277.21841	1.0
287.17856	0.8
295.21359	6.7
310.24832	1.0
312.17191	3.2
313.22699	3.1
330.18326	2.4
337.26111	9.3
347.20804	0.9
355.26984	2.8
371.24570	1.1
389.25421	1.0
539.39252	3.6
556.34851	1.2
573.37775	4.7
615.42249	1.1
782.51843	100.0
783.51764	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	783.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.64511	0.4
59.01386	2.5
60.36915	0.5
63.13474	0.5
71.01411	0.7
83.01406	1.3
89.02492	0.9
98.21791	1.5
101.02541	0.5
108.02169	1.4
109.02970	1.0
111.00907	0.9
121.02961	1.0
122.03748	1.4
123.00883	1.5
123.04534	1.4
124.01667	14.0
125.02454	2.3
134.03845	0.6
136.01646	0.9
137.02437	1.5
138.03293	0.8
139.00381	2.9
150.03212	1.1
151.04022	0.5
151.11314	0.6
152.01163	0.7
164.04810	0.8
169.01404	0.9
189.12878	0.7
205.12329	0.7
205.55054	0.5
215.10844	0.8
217.12321	6.7
233.11766	5.2
235.13400	1.6
249.11275	3.5
251.12874	2.2
261.11310	6.0
263.12982	0.6
265.14432	0.7
267.12369	5.5
275.13004	0.7
277.10794	1.2
279.12369	100.0
280.12766	2.9
281.13983	8.7
282.14771	1.7
293.13834	0.7
295.11877	73.7
296.12531	9.1
296.16034	1.2
297.17136	0.6
303.12320	0.6
309.13324	0.9
321.13419	5.4
337.12915	3.8
441.17618	7.0
457.16656	1.0
458.17880	2.0
459.22290	2.0
620.23370	1.8
621.23907	38.5
622.24554	2.0
663.24792	2.6
783.29218	22.4
784.29449	1.6
784.45703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
61.98824	2.1
69.30177	3.6
71.01372	1.5
85.02950	1.7
89.02399	1.4
96.96001	1.0
101.02429	1.1
111.00877	2.0
113.02458	1.0
113.06591	0.8
116.15611	0.9
124.98782	1.2
125.02407	2.0
137.99603	1.4
138.99277	1.5
139.00366	23.8
152.98331	1.9
158.73283	0.7
166.99855	5.0
167.14417	2.0
168.00624	2.0
169.01399	2.0
181.01428	3.1
191.14415	3.3
210.38828	0.8
223.13385	3.2
225.14725	0.8
235.13329	0.9
237.14984	3.8
251.12874	26.6
252.13547	4.8
253.14397	7.1
263.13184	1.0
264.13654	1.6
265.14456	2.6
266.14972	1.3
267.12421	1.2
267.15982	1.3
269.13962	1.3
277.14685	0.8
279.12357	11.7
279.15958	5.9
280.13126	23.1
280.16238	1.1
281.13925	100.0
282.14630	19.5
283.15134	1.3
293.13821	1.0
294.14667	1.9
295.15491	16.5
296.16147	3.5
297.17038	2.8
321.16986	1.0
323.15131	1.3
415.19485	0.9
425.17960	1.2
443.19193	43.8
444.19623	8.1
457.20828	2.5
458.21448	1.7
459.22214	3.5
605.24518	3.5
606.25085	3.5
621.27582	32.5
622.27789	2.6
628.50012	0.9
768.30780	4.5
783.32886	91.0
784.33215	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	783.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.5
61.98829	1.4
75.00871	0.6
89.02394	0.6
102.95702	1.7
103.00372	4.7
103.01493	71.1
104.45965	0.5
128.90155	1.4
171.10223	0.7
192.25633	0.5
201.11252	0.8
209.11804	4.0
277.21640	3.5
278.22110	1.0
282.48038	0.5
293.21121	0.7
373.09308	0.5
549.00812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
60.24924	0.1
61.98829	100.0
69.86491	0.2
69.86801	0.1
71.21011	0.1
81.60886	0.1
92.92793	0.1
96.96027	0.1
109.83233	0.1
111.43600	0.1
130.78793	0.1
134.17342	0.1
211.13515	0.3
212.13777	0.2
218.94003	0.1
230.06720	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	784.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98826	100.0
64.62646	0.2
69.79523	0.3
69.79876	0.6
75.18506	0.2
76.53544	0.2
77.53371	0.2
79.95750	0.3
80.96503	1.3
85.00416	0.3
94.98087	0.4
103.01530	0.6
116.92898	0.3
127.69048	0.2
149.88510	0.2
164.98653	0.2
169.19992	0.2
196.20605	0.2
209.11852	0.3
210.12213	0.2
225.00706	0.4
277.21725	0.7
278.22095	0.3
279.23212	0.2
307.05075	0.2
784.42023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79369	0.2
59.01378	0.6
61.98828	100.0
69.40702	0.3
69.41104	0.6
71.01401	0.3
75.00892	0.2
78.95918	0.2
96.96007	0.6
98.22643	0.3
125.02454	0.7
169.01443	0.7
185.62045	0.2
191.45963	0.2
209.11824	0.2
320.66138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
57.99564	0.4
59.01385	2.2
70.90001	0.4
71.45080	0.5
71.67880	0.4
76.63094	0.4
81.03454	0.6
89.75280	0.5
95.05066	0.5
96.95995	2.2
98.95608	0.6
107.05002	0.4
109.02917	0.7
109.75821	0.5
111.04473	0.4
121.02919	1.4
121.06585	1.0
123.04516	3.5
124.01651	1.7
125.02446	6.5
126.02733	0.9
135.04527	2.2
136.05278	3.0
137.02412	1.1
137.06039	1.1
138.02203	0.9
138.03220	12.7
139.07600	0.7
142.52849	0.4
147.08125	0.7
148.05205	0.7
149.06023	1.1
149.09651	3.0
150.03177	0.7
150.79912	0.5
151.04013	1.6
152.00858	0.5
152.04758	1.2
159.08051	0.7
162.06862	1.8
164.04765	0.8
165.05547	2.1
167.03447	0.6
167.10745	1.8
169.01407	1.7
175.04028	0.9
175.07639	1.1
177.01933	2.0
177.09192	40.5
178.09531	1.2
179.07004	0.4
180.07805	1.1
193.08670	5.5
194.09428	1.1
195.10242	10.2
211.09711	1.3
217.04985	0.6
221.08170	24.5
227.89281	0.4
237.07582	0.6
238.08406	3.0
239.09233	100.0
240.09555	2.4
241.05197	0.5
285.04025	3.1
286.04199	0.8
303.05127	2.1
305.06155	0.7
327.92166	0.5
358.81970	0.5
383.00735	1.1
384.01208	1.7
385.00839	2.6
401.14484	93.6
402.14716	4.1
517.27240	0.5
527.27295	0.5
787.30200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
55.63617	1.3
57.03446	2.6
59.01373	6.6
59.01626	1.1
61.98815	4.9
63.11548	1.1
71.01371	3.3
71.04984	1.2
73.02936	1.5
74.00890	1.2
75.35643	1.1
81.03463	1.2
85.02948	2.1
85.11219	1.1
86.07687	1.3
95.01421	1.2
95.05031	2.7
97.06575	1.3
99.00868	3.4
109.06555	1.2
113.02454	2.0
123.04534	2.4
125.02440	14.4
136.05298	2.7
137.02444	2.7
149.06097	2.4
153.01849	2.4
161.02429	2.5
165.01912	1.9
165.12830	1.8
167.03445	2.1
167.07137	1.9
169.01410	2.6
175.04037	1.3
177.01965	6.2
177.09116	1.5
178.85049	1.4
187.76143	1.3
203.15936	1.3
207.13834	1.6
217.04930	1.6
221.15392	3.6
233.11786	1.7
235.13400	13.6
237.81398	1.2
239.09084	1.4
243.03049	2.3
247.13391	4.4
249.14935	31.6
251.12878	1.7
253.80164	1.2
263.16595	2.2
265.14459	3.8
305.06696	2.0
339.23120	7.2
341.21414	1.6
345.20712	5.5
345.24304	2.0
357.24271	8.7
365.20975	1.4
373.23849	4.3
375.25394	57.6
376.25592	3.2
379.22302	1.1
383.22375	8.0
399.25229	1.4
401.23456	4.8
405.06131	1.7
419.24371	33.3
420.24664	2.0
423.07257	2.0
443.24078	2.0
445.22183	2.7
461.25464	1.8
581.30609	1.8
598.52417	1.2
607.27637	5.0
637.76465	1.3
649.10797	1.3
769.32861	7.9
787.33899	100.0
788.33978	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	787.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29622	13.8
59.01374	27.2
61.39966	17.3
61.98819	100.0
64.39464	18.6
65.93625	16.1
71.01379	24.4
72.62297	13.9
84.87010	15.8
87.94141	18.8
96.95981	18.4
97.93127	12.5
192.94016	18.3
209.11888	19.7
211.13382	50.7
223.13367	67.8
225.11366	18.2
291.19522	18.8
308.58148	16.9
309.20688	37.6
434.27386	15.7
787.40375	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01372	0.4
61.98827	100.0
62.98525	0.1
68.23573	0.1
71.01389	0.2
73.02939	0.1
75.04639	0.1
96.40819	0.1
99.08143	0.5
100.08492	0.2
101.02425	0.1
109.76929	0.1
109.91557	0.1
123.04524	1.2
124.04890	0.4
125.02491	0.1
127.07629	0.8
128.08035	0.2
129.05548	0.5
130.05939	0.2
150.03244	0.2
153.05611	0.4
154.05911	0.3
165.05592	0.3
168.61266	0.1
169.01529	0.1
181.12401	0.2
195.06671	0.2
285.09943	0.1
314.71170	0.1
457.17105	1.5
457.22336	0.1
458.17480	1.1
459.17706	1.1
460.17984	0.7
496.37720	0.1
540.19397	0.1
633.82617	0.1
664.42529	0.1
670.06274	0.1
771.48090	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	789.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74463	0.9
57.03447	16.5
60.80469	0.8
65.00307	1.2
66.17464	0.8
69.26746	2.1
69.27174	2.8
77.42372	0.7
81.03471	1.0
83.01389	3.6
86.63396	0.8
93.03439	2.2
95.05045	1.4
105.03468	3.4
107.05030	1.9
108.76474	0.8
109.02962	4.9
121.02966	5.3
123.00952	0.9
123.04518	1.7
125.02446	100.0
126.02779	1.1
131.04959	2.8
133.02945	4.6
137.01440	1.2
137.02449	18.5
139.03954	1.7
139.61465	0.7
145.02989	1.2
147.00923	1.3
149.02448	6.5
149.06111	1.4
151.04021	9.1
159.04521	1.8
161.02443	26.5
162.03076	0.7
163.00339	6.7
163.04025	2.8
164.01178	2.0
165.01901	4.0
166.02731	1.1
167.03462	2.0
171.04550	1.1
173.06049	0.9
174.03043	1.0
175.00334	3.5
175.03995	21.8
176.01205	1.1
177.01923	86.8
177.05482	3.2
178.02271	2.6
183.04561	2.1
187.04002	3.5
189.01909	2.2
191.03471	3.2
193.03537	0.9
193.04985	4.2
199.04018	5.5
201.01910	3.3
201.05571	3.8
202.02477	0.8
203.03505	4.0
211.03992	1.3
213.05615	1.4
215.03487	3.6
217.05055	14.7
219.02997	5.8
219.06453	1.8
225.05525	1.5
225.46562	0.8
227.03535	4.8
228.04030	1.0
229.01437	4.7
229.05022	3.3
231.02959	1.4
233.04582	1.3
241.05043	1.6
243.02960	31.2
243.06656	1.4
244.03487	1.5
245.04567	3.0
255.03023	8.0
256.03598	1.7
257.04507	2.2
259.06201	1.0
261.04068	10.9
267.02963	1.5
269.04514	9.9
273.04050	7.2
283.02316	1.5
285.04068	1.8
287.05597	15.8
297.03937	2.5
301.03488	7.1
303.05045	8.0
313.03555	2.7
315.05103	2.0
327.05115	2.2
337.07092	1.3
347.07608	1.1
361.07196	1.5
377.23132	2.6
379.08185	1.8
387.05090	3.1
405.06186	14.7
406.06540	1.9
421.21951	2.0
423.07230	33.5
424.07602	2.7
435.06842	1.4
437.08786	4.9
439.06543	2.6
441.08087	1.9
453.08176	2.9
465.08170	6.3
466.08612	1.0
485.10825	1.8
518.81921	0.9
526.01422	0.9
573.10034	1.2
591.11353	7.8
592.11768	0.9
603.11530	6.5
621.12653	7.1
663.12958	1.3
771.29907	1.0
789.16858	2.3
789.32025	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	789.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.4
63.36153	0.5
70.51660	1.2
81.03455	3.9
83.01402	2.8
91.01911	0.7
92.92035	0.5
93.03460	2.1
95.01350	0.7
95.05029	1.0
105.03455	3.4
107.05034	1.2
109.02953	3.9
111.04538	1.6
121.02962	4.4
123.00855	1.2
123.04520	8.9
124.01688	1.2
125.02441	100.0
126.02798	2.4
131.05008	1.7
133.02982	4.1
133.06487	0.7
135.00934	0.6
135.04550	2.2
137.02432	14.6
139.03958	2.8
143.05077	0.6
146.87259	0.6
147.00931	1.7
147.04504	0.6
149.02437	7.6
149.06067	1.6
151.03987	10.5
159.04483	1.7
160.01672	0.9
161.02434	21.5
161.06047	0.9
161.15547	0.5
162.03020	0.9
163.00378	5.3
163.04051	2.7
164.01151	2.4
165.01898	5.0
166.02727	1.2
167.03441	3.4
169.01395	0.9
173.06088	1.6
174.03232	0.6
175.00450	3.5
175.03993	18.0
176.01138	1.3
177.01924	82.4
177.05330	3.8
178.02275	2.5
179.03496	1.7
185.02608	0.8
187.04047	3.1
189.01907	2.9
189.03403	0.6
190.02660	0.7
191.03561	2.9
193.05029	3.6
193.08603	0.8
197.06027	1.2
199.04022	5.6
201.01962	2.9
201.03845	0.6
201.05580	3.3
203.03539	3.1
205.04979	1.0
211.04076	1.0
213.05452	0.9
215.03522	2.2
217.01666	0.9
217.05040	12.6
219.02972	6.1
219.06650	1.9
225.05568	1.6
227.03470	3.8
228.04150	0.7
229.01425	4.5
229.05016	2.9
241.05000	1.4
243.02977	21.5
243.06532	1.5
244.03586	1.1
245.04515	2.5
251.03603	1.0
251.12781	1.1
253.04987	1.1
255.02946	6.9
256.03629	1.5
257.04617	2.6
259.06100	1.0
261.04047	8.8
267.02704	0.6
269.04510	8.2
270.04822	0.8
273.03986	7.5
283.02448	3.9
285.04160	3.0
287.05576	13.6
289.07263	0.6
297.03882	3.5
298.04941	0.6
301.03455	5.5
303.05075	10.6
305.06662	7.5
313.03595	3.0
315.05093	1.6
327.04953	1.3
337.07098	1.4
347.07874	0.8
359.22220	2.0
377.23462	2.9
379.08286	2.2
385.20239	1.1
387.05057	2.4
403.21222	1.9
405.06174	12.9
406.06638	1.0
421.22330	2.6
423.07196	49.4
424.07599	4.2
427.06729	1.0
437.09079	0.6
439.06592	2.2
441.08511	0.8
447.07004	0.8
452.07285	1.4
453.08237	1.9
465.08151	5.0
468.23334	0.6
483.09225	1.3
485.10712	2.2
573.10297	0.7
591.11481	5.6
603.11523	4.8
609.12213	2.5
621.12573	8.2
622.12805	0.9
663.12927	1.6
789.16907	1.6
789.31604	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	789.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07112	0.5
61.98840	0.6
69.57447	1.2
69.57833	1.1
98.22570	0.7
103.92027	0.6
106.68450	0.5
111.52892	0.5
114.14865	0.5
122.89407	1.7
123.90167	0.6
124.01630	0.5
136.01614	0.6
137.02475	3.4
138.03308	0.8
143.94290	0.5
165.01944	1.4
171.93832	0.6
199.93352	1.9
213.91290	0.8
225.91167	0.7
226.91992	0.9
227.92905	0.9
236.57051	0.6
241.90710	1.2
255.92294	7.4
256.93082	0.8
268.93109	2.0
269.90253	2.5
269.93930	0.7
277.01834	3.6
287.91238	1.8
302.99933	0.6
303.03214	0.9
305.04819	2.9
320.28494	0.6
321.20447	0.8
324.99448	0.5
333.04346	1.4
335.05951	0.6
349.20178	4.9
360.06488	0.7
361.07449	0.8
400.08759	0.5
401.10782	2.0
402.12384	0.9
403.12115	49.2
404.12527	2.8
406.51593	0.5
417.09964	0.8
435.10907	1.3
438.10074	1.5
439.09781	100.0
440.09982	5.1
463.33115	0.6
753.32983	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	789.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93887	0.4
57.03451	0.6
58.82660	0.3
59.01379	100.0
59.28194	0.4
60.01716	0.7
71.01382	8.7
71.45012	0.4
72.99317	0.5
73.02943	4.4
75.00867	0.5
83.01414	1.3
85.02958	4.9
87.00856	0.5
89.02462	1.4
95.01413	0.8
99.00886	1.5
101.02437	7.2
108.02167	0.4
109.02994	0.5
113.02446	4.4
119.03519	0.5
122.03732	2.8
123.04544	1.5
125.02423	2.3
134.03743	0.7
137.02501	0.9
137.06041	2.9
143.03561	0.6
149.02428	0.5
149.73813	0.4
150.03275	1.4
151.00414	0.6
151.03995	0.5
159.03021	1.0
161.04575	5.0
165.01936	0.6
165.05617	1.3
166.72067	0.4
167.03542	1.8
169.01480	1.4
175.04044	0.6
177.01959	0.8
180.04253	0.5
192.00642	3.7
193.05055	0.5
195.06609	1.5
207.02950	1.8
209.11812	3.5
225.07639	0.8
270.81668	0.4
320.25830	0.5
331.17612	11.1
364.83157	0.4
373.18640	13.5
374.19031	0.9
415.23538	0.9
477.10626	1.4
479.11200	0.4
745.32544	0.5
789.22009	0.8
789.35455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03452	2.3
59.01371	3.1
71.01371	2.0
71.05008	1.1
71.43553	0.9
73.02943	7.0
81.03456	1.0
83.05025	1.0
85.02938	1.2
87.17112	0.9
95.05035	3.1
103.09113	0.7
107.05051	1.0
123.04514	2.4
123.08176	1.1
125.02450	5.7
135.08162	0.9
136.05296	3.0
137.02492	0.9
137.06094	1.2
139.11272	2.2
149.06142	1.3
161.02425	1.2
163.14926	0.8
167.03464	1.4
175.03912	0.8
177.01871	4.0
179.03522	0.8
205.66748	0.9
207.13902	5.3
221.15456	2.3
233.15285	0.9
235.13412	12.1
249.14931	9.1
261.03879	2.1
265.14389	5.8
279.15909	4.2
287.05637	1.0
341.24805	7.3
345.24344	1.3
357.24213	0.9
359.25897	24.2
360.26169	1.9
373.23380	1.5
375.25330	10.3
377.26941	69.6
378.27185	4.8
385.23724	2.1
401.26923	2.8
403.24930	19.4
404.25305	2.0
419.28036	1.1
421.25958	39.3
422.26218	2.7
423.07016	1.3
445.26102	2.4
447.23810	9.1
463.27109	1.0
565.30145	2.1
583.31152	1.6
609.29358	4.9
745.35510	1.1
771.34222	8.9
772.34882	1.5
789.35480	100.0
790.35571	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	791.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98735	8.3
61.98812	34.3
69.53764	21.7
98.22607	15.2
104.87058	8.5
134.94635	8.7
209.11803	96.7
227.12849	14.2
253.09320	17.6
277.21686	100.0
516.72577	9.1
791.43268	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	793.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01379	86.2
60.01712	1.4
69.03442	0.8
71.01381	4.4
71.44167	0.4
72.99305	0.5
73.02941	2.4
75.69373	0.5
81.03448	0.5
83.01381	1.0
85.02962	2.9
87.00900	0.5
89.02460	1.5
91.01940	0.9
93.03485	0.5
93.35923	0.4
95.01391	1.1
96.96017	0.7
99.00882	0.7
101.02454	3.9
107.01401	1.6
108.02167	3.4
109.02952	21.1
111.00877	1.5
113.02454	2.7
121.02967	0.9
122.03682	0.5
123.00889	5.2
123.04543	1.4
124.01665	17.0
125.02453	11.1
133.63301	0.4
134.03691	0.6
135.00899	0.4
135.04532	0.7
137.02469	1.4
138.01913	0.6
138.03215	1.6
139.04015	5.9
145.03015	0.5
149.02457	0.8
150.03259	1.5
151.00423	1.1
151.04004	1.0
152.01115	2.6
153.01935	42.2
154.02299	0.6
161.04567	1.8
163.03946	0.9
165.05597	1.6
166.02690	1.3
167.03468	2.5
169.01445	3.6
177.01909	0.9
181.05008	2.2
186.04094	0.4
195.03027	1.8
195.06682	1.3
203.61848	0.4
237.03987	1.0
269.10321	2.5
271.02612	0.8
271.06149	1.4
281.06522	0.6
286.08508	1.3
297.06161	14.5
300.02820	1.1
301.10904	2.0
311.07718	2.1
311.11404	4.1
313.05811	0.5
349.12885	0.8
349.18619	0.6
350.18961	0.6
391.19708	1.0
392.20206	0.5
437.10852	100.0
438.11209	4.3
454.89819	0.4
497.18234	0.5
545.20416	3.0
755.21069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
62.75254	0.4
68.67075	0.3
69.10340	2.3
71.01375	0.8
72.17592	0.3
73.02953	0.4
76.73149	0.3
81.03433	0.6
83.05051	0.4
85.02972	0.4
89.02446	0.4
94.68724	0.3
95.01373	0.8
97.02917	0.7
107.05028	0.5
107.49097	0.4
108.02185	0.5
109.02965	0.7
110.00079	0.5
113.02453	0.4
119.04934	0.5
121.02939	1.5
121.06605	1.2
122.03728	4.2
123.00879	0.5
124.01659	7.3
124.22916	0.4
125.02430	1.4
133.06630	0.4
135.04472	0.6
135.08150	3.6
136.01700	0.7
137.02470	0.8
137.06087	1.5
137.09723	0.5
138.03206	1.2
139.04030	0.7
139.07648	1.3
145.06546	0.5
151.04039	0.9
151.07661	0.6
153.09177	1.7
161.06084	0.5
162.06845	0.5
163.07652	38.0
164.08020	0.8
165.05591	1.1
169.01451	0.9
177.01901	0.6
179.07129	5.3
181.08699	11.3
183.06662	0.7
185.68468	0.3
197.08199	1.0
207.06618	25.7
208.06839	0.6
224.06857	2.1
225.07675	97.2
226.08054	2.4
317.05399	0.4
335.03860	0.4
387.12943	100.0
388.13358	2.9
437.05872	0.4
712.94629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52308	1.4
59.01368	14.1
59.21889	1.4
61.24513	1.3
61.98822	1.7
69.30889	8.5
71.01379	20.2
73.02940	2.0
89.02473	3.7
99.00896	2.0
101.02447	4.1
109.06595	1.7
125.02434	2.4
125.06051	1.9
125.09715	2.7
128.68259	1.7
163.11276	2.5
170.47572	1.5
171.10277	24.6
176.45013	2.0
181.08691	2.3
181.12303	1.8
192.86407	1.5
199.09714	17.4
199.13304	2.7
201.11305	17.7
207.10231	12.7
223.13321	2.8
225.11340	20.0
235.08247	6.5
243.12306	4.0
253.09195	10.6
277.21704	100.0
278.22244	3.8
314.07864	1.7
344.47452	1.6
435.18546	3.5
461.20346	6.0
695.39868	5.9
703.38971	2.1
721.41211	7.5
739.42828	4.2
757.43579	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	795.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
59.01376	8.1
61.38892	0.6
62.08627	0.6
65.23225	0.7
69.59673	1.4
69.60030	1.5
71.01373	2.5
73.02927	3.2
81.03452	1.7
83.01378	2.5
89.02464	0.6
95.01338	0.7
95.05039	0.9
97.02965	1.9
101.02454	2.5
107.01394	2.3
108.02187	2.3
109.02946	67.9
110.03298	0.7
111.00877	0.6
119.21214	0.6
121.02933	3.5
123.04530	4.9
125.02441	21.6
135.04488	0.8
137.02454	9.2
139.04028	1.8
145.02945	4.4
148.01697	0.7
149.02405	2.9
149.04594	0.7
151.00362	10.1
151.04028	4.2
153.01929	100.0
154.02263	1.7
159.04536	2.3
161.04756	1.0
161.06100	3.3
163.00354	2.8
164.01138	1.9
165.01897	3.9
169.01500	1.2
171.86398	0.7
175.04042	1.0
178.99835	5.8
179.03500	2.9
185.06110	1.5
187.04024	3.4
188.04753	2.0
189.05569	1.5
199.07681	0.8
201.05550	1.5
202.15289	0.6
203.07101	6.6
205.05031	3.5
211.04001	1.6
221.08249	1.1
226.02768	1.3
227.03438	2.1
227.07143	2.3
229.05023	1.7
243.03017	5.7
245.04485	1.5
245.08167	11.3
253.05098	1.0
254.02306	0.9
255.02946	16.6
256.03705	0.7
271.02478	31.4
271.06064	11.3
272.03253	0.9
273.04010	1.1
275.05615	1.9
283.02448	1.2
287.05490	1.6
289.07156	55.0
290.07407	1.3
300.02737	59.5
301.03500	45.8
425.08762	40.5
426.03442	0.7
426.09131	2.6
447.09293	97.3
448.09598	3.4
451.16785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.6
60.92947	0.3
63.02393	0.5
65.00323	1.0
69.35489	1.2
69.35906	1.0
70.02297	0.4
71.01373	1.8
73.02944	1.7
83.01390	1.2
89.02422	0.6
96.96014	0.6
98.22548	0.7
101.02435	1.6
107.01383	3.2
108.02187	1.0
109.02951	2.0
113.02412	0.7
119.03484	0.5
121.02951	2.3
125.02464	0.8
135.00841	0.9
139.38335	0.4
148.01648	0.6
151.00380	10.3
157.00507	0.5
157.10149	0.4
161.04492	0.6
163.00349	2.9
164.01122	0.5
169.01384	0.9
175.03935	0.7
178.99841	5.2
188.85356	0.4
211.03954	0.9
215.03506	0.6
227.03511	1.9
229.04974	0.9
232.51993	0.4
243.02956	5.0
244.03630	0.4
245.04523	1.9
255.02985	14.0
257.65796	0.5
271.02463	27.0
272.02994	2.2
273.03983	1.1
283.02454	1.8
299.01813	0.5
300.02734	61.8
301.03510	45.3
302.03903	1.7
339.09726	0.5
447.09302	100.0
448.09616	6.5
635.20844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01380	3.7
62.42589	0.6
64.27708	0.7
65.00345	1.1
69.20834	0.7
101.02454	1.1
107.01404	1.7
108.02183	1.1
109.02940	8.4
121.02964	2.0
125.02451	4.0
137.02467	1.2
151.00374	8.7
151.03934	1.1
153.01933	9.0
163.00378	2.6
165.01889	1.0
165.05682	0.8
169.01414	1.0
169.17635	0.8
178.99876	4.2
179.03606	0.9
199.13405	1.2
211.03976	1.2
225.11339	1.5
227.03470	2.1
229.05072	1.1
243.02948	4.5
245.04625	1.1
245.08173	0.8
255.03015	12.6
270.99509	1.2
271.02475	24.4
271.05624	1.2
272.03043	1.2
283.02206	0.9
289.07281	5.1
293.67667	0.8
299.01984	0.9
300.02731	58.8
301.03513	41.6
302.03775	2.2
317.16113	1.7
344.52344	0.7
401.82220	0.8
425.09161	4.2
447.09311	100.0
448.09540	6.6
451.17126	1.1
707.32935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.0
61.98819	1.2
69.25925	3.8
69.26204	0.9
70.83683	0.7
71.01374	1.4
72.21964	0.6
79.81097	0.8
85.02943	1.0
86.21223	0.7
89.02443	1.0
90.01857	0.7
95.01307	1.0
96.02214	0.8
96.95972	0.7
101.02426	0.8
108.02190	0.9
109.02951	1.0
113.02431	1.2
116.92904	0.8
121.02896	0.7
123.00859	1.7
124.01660	1.7
125.02454	1.1
136.01692	0.9
137.02440	0.7
150.03282	0.9
152.01128	3.4
165.05544	0.9
221.15424	8.0
233.32918	0.8
237.14963	8.0
249.14937	46.0
250.15234	1.4
251.16521	1.0
263.16391	0.8
265.14435	100.0
266.15054	9.6
267.15976	9.0
279.15942	3.8
307.15582	2.0
411.20203	1.6
427.19772	3.4
428.20407	3.0
429.21402	5.3
453.21292	2.9
470.21783	4.3
471.22076	3.6
590.25812	10.9
591.26453	8.4
633.27588	16.7
634.28156	1.6
795.32983	9.9
796.32849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91693	0.4
59.01376	100.0
60.01709	0.8
60.63245	0.4
61.25274	0.4
61.98831	0.9
63.38405	0.4
71.01379	3.1
73.02927	0.7
85.02942	0.5
87.00856	0.5
89.02451	2.1
96.99304	1.2
99.36945	0.4
101.02453	1.6
113.02444	0.9
119.03510	0.5
125.02447	0.7
141.01698	57.3
142.65001	0.4
146.35350	0.5
147.53989	0.4
153.01675	0.5
171.10252	2.0
223.13376	0.6
225.11284	0.9
235.08197	1.0
253.09309	0.5
255.23288	5.8
277.21570	2.3
305.08676	0.5
337.23547	4.8
397.08646	0.8
397.13510	10.2
415.14484	1.8
419.11670	2.2
437.12759	3.2
524.35571	0.5
653.37476	1.9
654.37469	0.4
675.35712	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	795.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98683	0.1
59.01371	0.5
59.78456	0.1
67.34519	0.1
69.35260	0.5
69.50737	0.1
71.01369	0.2
73.02943	0.4
75.00872	0.6
99.00858	0.2
99.92578	9.1
100.92590	0.3
100.93311	0.1
114.93420	0.5
116.92857	100.0
117.01940	1.5
117.92863	3.1
125.02428	0.4
139.03941	0.1
166.83093	0.1
168.47498	0.1
177.01976	0.2
179.05699	0.1
180.76807	0.1
257.54950	0.1
329.39514	0.1
427.60471	0.1
527.00024	0.1
713.47009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32541	0.5
71.45151	0.6
81.82270	0.5
109.02959	1.6
117.82761	0.6
123.00855	0.6
124.01656	1.9
125.62627	0.6
137.02396	2.7
138.03232	2.3
139.03957	0.8
151.03960	1.0
163.03789	0.6
167.03471	3.2
205.74956	0.5
332.23550	20.7
333.24335	39.5
334.24747	2.6
361.23840	8.2
362.24631	100.0
363.24991	4.8
375.25381	51.4
376.25760	2.4
404.25775	6.0
419.28000	34.4
420.28592	1.6
695.08948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.8
65.58336	1.1
74.87719	1.0
78.56886	1.0
78.57385	1.2
88.98808	1.9
90.29885	1.2
91.18996	1.1
100.87229	1.1
106.06633	12.6
108.04536	2.1
125.02454	1.6
126.90503	1.1
132.04575	3.7
134.06136	10.0
150.05626	1.1
152.07109	1.9
160.04059	13.3
169.01430	2.0
189.04381	1.4
209.11705	1.2
218.04659	1.4
223.08752	2.5
225.10335	1.6
234.07860	1.7
239.08089	1.1
249.10333	4.3
250.07565	1.8
251.08228	9.0
251.12001	2.1
252.09094	9.5
253.09782	10.2
263.08218	3.3
264.09238	1.4
265.09772	10.2
267.11386	7.6
277.09763	5.6
278.06918	5.0
279.07764	16.3
280.08447	2.2
285.12494	1.8
290.05334	1.1
292.08615	2.0
293.09241	14.4
295.10867	21.2
321.08795	59.8
322.09082	2.4
339.09839	44.1
340.10706	1.9
368.13962	1.8
394.12180	1.4
426.14624	2.5
454.14038	6.3
472.15164	5.0
473.15082	1.3
498.13095	21.8
498.19812	1.2
516.14093	100.0
517.14398	5.1
548.16858	7.3
558.14935	4.1
720.20386	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.0
59.01375	1.8
76.27715	1.1
81.03445	1.7
83.01382	2.4
93.03444	1.2
94.07201	1.1
105.03442	2.1
107.05054	1.3
109.02959	4.1
111.04510	2.4
118.02284	0.9
121.02890	3.1
121.03716	1.1
123.00890	1.9
124.01625	1.8
125.02443	100.0
126.02779	1.7
133.02919	2.3
137.02449	14.3
138.03110	1.0
139.03996	4.5
149.02423	3.8
151.03998	8.2
159.04625	1.2
161.02434	17.9
161.11314	1.1
163.00337	4.0
163.03961	2.2
164.01135	2.3
165.01917	6.9
167.03506	6.5
169.01411	15.9
174.03235	1.1
175.00330	2.7
175.04001	16.7
176.01073	1.1
177.01921	71.5
177.05502	4.3
178.02296	1.9
179.03468	3.4
183.04495	1.0
187.03998	2.5
189.01851	2.4
191.03522	4.1
192.00648	1.6
193.01353	3.1
193.05054	2.7
195.04552	1.3
199.03958	3.0
201.01979	1.7
201.05542	2.8
203.03427	3.4
211.04105	1.4
215.03462	2.4
217.05069	9.7
219.03004	5.7
219.06581	2.9
221.04495	2.3
225.05539	1.8
227.03490	3.7
228.04182	1.2
229.01433	3.5
229.05055	2.1
243.02982	17.2
243.06583	2.0
245.04506	2.6
255.02998	12.5
256.03674	2.0
257.04620	3.0
261.04041	8.4
265.84241	1.1
269.04492	6.1
273.03940	2.3
283.02533	6.2
285.04013	2.9
287.05676	9.7
289.03821	1.2
297.03979	4.2
301.03525	5.8
303.05118	8.4
305.06674	17.8
313.03424	1.8
387.05023	1.1
405.06125	7.1
423.07208	72.6
424.07425	2.6
439.06717	1.2
441.08350	6.1
453.08289	2.3
457.07565	6.0
465.08292	5.7
483.09293	6.1
573.10406	1.7
575.08508	6.8
591.11401	12.3
593.09125	8.5
609.12402	14.2
635.10773	2.6
761.13416	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	797.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.9
59.01376	1.8
61.69614	0.2
71.01384	0.3
77.46916	0.2
81.03475	0.6
83.01376	1.3
95.05031	0.8
98.21855	0.6
105.03468	2.2
108.02173	1.3
109.02951	47.7
110.03304	0.8
111.04484	0.6
112.15781	0.2
123.00912	0.4
124.01686	0.6
125.02445	43.4
126.02789	0.6
133.02995	0.4
135.04494	0.3
137.02469	2.6
139.04062	1.2
149.02449	0.4
149.06071	0.3
151.03979	0.3
153.01933	100.0
154.02296	1.6
161.02443	17.4
162.02924	0.4
164.01129	0.4
165.01942	1.9
167.03503	1.3
175.03975	0.3
177.05533	1.6
179.03493	1.1
192.00685	0.5
193.01431	1.1
197.06218	0.3
201.05580	1.1
203.03526	0.3
209.11810	0.3
219.06604	1.1
219.62907	0.2
221.04424	0.3
225.05574	0.4
227.03471	0.3
243.06583	0.3
254.15187	0.3
269.04507	1.8
287.05597	9.9
305.06650	8.0
306.06946	0.4
441.08240	11.4
442.08621	0.6
468.43307	0.2
479.08264	2.5
727.54761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.8
59.01379	34.1
60.23463	0.4
60.28390	0.4
62.44962	0.4
71.01379	1.8
73.02957	0.9
81.03455	1.6
83.01402	3.0
85.02950	0.7
89.02422	0.6
95.05031	1.2
96.00010	0.4
101.02432	1.6
104.12920	0.4
105.03446	3.8
106.37695	0.5
108.02146	1.2
109.02954	42.0
113.02438	1.2
125.02445	89.9
126.02816	1.0
133.02919	0.6
137.02432	5.3
139.04028	0.6
149.02429	0.6
149.63524	0.5
151.04031	0.6
153.01936	100.0
154.02272	1.9
161.02446	36.3
162.03044	0.8
164.01147	0.6
165.01935	2.1
166.02715	0.5
167.03461	1.5
169.01418	1.1
175.03976	0.4
177.01918	1.0
177.05569	2.5
179.03531	1.4
183.04485	0.6
197.06039	0.5
201.05571	2.3
203.03452	0.8
219.06625	1.2
225.05595	0.7
227.03526	0.7
229.01175	0.6
241.05008	0.6
243.06538	0.6
269.04599	5.1
269.10477	0.6
271.02405	0.6
275.05630	0.9
287.05600	32.8
288.05914	1.1
299.02063	0.9
303.05051	1.1
305.06650	6.2
311.11301	1.8
353.63675	0.5
441.08243	17.6
442.08679	0.6
463.08661	0.9
786.21771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70188	0.3
59.01370	1.8
62.03717	0.3
65.00052	0.4
69.69666	1.1
71.01384	0.5
89.02436	0.8
95.01334	0.4
96.02174	0.4
101.02486	0.7
108.02219	0.5
109.02856	0.5
119.03467	0.5
122.03762	1.4
123.00896	1.2
124.01660	2.7
136.01566	0.5
137.02460	0.4
138.03230	0.6
150.03233	0.6
152.01131	2.3
153.01932	0.7
156.19418	0.4
198.53033	0.4
265.18063	7.4
281.17560	6.2
282.18054	0.4
293.17575	59.1
294.17950	1.3
295.18906	0.7
309.17059	100.0
310.17773	12.0
311.18613	6.0
323.18668	4.3
335.18719	0.6
351.17923	1.9
365.19586	0.5
434.17340	0.5
455.22827	3.8
462.66031	0.4
471.22211	4.8
472.22983	4.6
473.23782	6.6
474.23715	0.5
508.55389	0.4
510.71704	0.4
634.28473	7.2
635.29163	34.8
636.29401	0.8
797.34412	17.7
798.34778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16705	0.5
59.01379	4.2
60.99302	1.2
61.98823	3.1
71.01366	1.6
80.02692	1.2
81.03458	1.1
81.25731	0.5
83.05025	3.8
84.02142	0.9
85.02952	0.7
87.00877	0.9
88.98793	7.6
89.02446	1.5
96.95988	0.7
101.02414	1.1
113.02461	1.1
116.06075	0.4
125.02441	1.8
135.08113	0.7
149.66551	0.5
161.04535	1.0
163.11305	3.5
165.12799	2.1
169.01524	0.9
171.10202	1.0
180.88498	0.5
181.12375	1.0
209.11816	100.0
210.12204	4.5
222.39996	0.6
227.12874	13.1
228.13240	1.1
231.41756	0.5
235.08217	1.3
253.09283	4.6
368.36093	0.6
445.20743	5.2
503.70636	0.5
537.44458	0.6
637.32556	0.9
750.88074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
61.98835	2.1
69.84779	1.3
71.01376	2.9
73.02945	1.0
78.95888	0.6
80.96513	0.5
83.05034	3.6
84.02180	0.6
85.02923	0.9
87.00864	0.6
89.02427	1.2
95.04996	0.5
101.02442	2.4
110.75778	0.5
113.02441	1.7
137.17664	0.4
158.09775	0.4
161.04533	1.4
163.11278	2.4
163.41168	0.5
165.12823	1.2
168.58601	0.5
179.05724	0.5
183.17249	0.4
194.85040	0.4
209.11827	96.1
210.12184	1.6
227.12880	13.4
235.08217	5.6
253.09314	9.1
277.21722	100.0
278.21985	2.7
290.57376	0.5
445.20746	3.2
450.86133	0.4
469.04852	0.4
513.30634	2.8
516.99329	0.6
721.05756	0.5
799.43475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
69.09041	3.4
71.01393	0.6
77.90408	0.5
98.21865	1.4
103.67941	0.5
107.01373	0.7
109.02940	0.7
124.01670	1.2
125.02431	1.4
137.02417	2.0
151.00348	4.4
165.02090	0.6
167.99303	0.5
169.01431	1.3
178.99854	4.2
192.00626	0.6
214.02745	2.7
229.01541	0.5
242.02269	2.8
243.02916	1.7
259.02368	2.6
264.36227	0.6
270.01718	4.3
270.99487	1.2
271.02466	21.1
272.02905	0.8
287.01996	11.9
287.39877	0.5
288.02710	1.1
297.13437	0.8
316.02213	70.1
317.02884	14.7
459.18628	0.6
463.08826	100.0
464.09204	3.7
548.39386	0.6
673.52094	0.6
799.32660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.2
63.14149	0.4
69.89191	1.2
70.29544	0.4
71.01362	0.7
78.06406	0.4
79.04868	0.3
80.04575	0.4
85.02946	0.5
93.03471	0.8
101.02419	0.7
103.04833	0.4
107.05023	0.4
108.02187	1.9
109.02956	5.3
112.22578	0.3
121.02952	1.7
123.04537	1.1
124.01652	0.7
125.02433	1.3
133.03966	0.4
136.01634	0.4
137.02409	1.9
139.04073	0.4
148.01741	0.6
149.02415	2.4
151.04001	1.7
152.01157	3.4
153.01932	6.9
161.02414	1.4
162.03200	0.9
163.04001	0.6
164.01138	3.1
165.01932	3.5
166.02682	1.0
167.03500	1.9
177.01897	1.3
178.99854	1.1
179.03496	0.9
189.01878	0.5
190.02730	1.3
191.03510	0.7
192.00641	43.6
193.01408	52.5
194.02138	3.4
195.02974	8.2
195.04610	0.3
205.01407	1.7
206.02205	1.7
207.02983	12.3
221.00967	0.9
222.01715	1.1
234.01682	4.0
234.22908	0.4
235.02477	4.2
249.04021	2.6
249.13367	0.6
255.05229	2.5
283.56567	0.4
311.17654	0.4
312.04868	2.2
313.05450	1.0
313.51184	0.4
327.07199	1.4
448.06451	1.4
463.08804	100.0
464.09192	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	799.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47542	0.4
59.01374	5.8
66.36626	0.3
69.67662	1.1
71.01373	0.8
73.02945	0.4
78.76621	0.3
81.06567	0.4
85.02979	0.4
87.09738	0.4
91.01844	0.4
93.03442	0.7
99.54721	0.3
101.02452	0.4
107.04967	0.4
108.02156	2.3
109.02959	5.4
111.00854	0.4
113.02464	0.3
113.75149	0.4
121.02951	1.0
123.04542	1.0
124.01652	0.8
125.02438	1.0
136.01649	0.7
137.02441	1.6
139.03946	0.5
145.02960	0.9
147.14114	0.3
148.01683	0.5
149.02444	2.6
151.04022	1.4
152.01141	3.3
153.01932	6.7
161.02452	0.8
162.03230	1.0
163.04002	0.5
164.01126	3.1
165.01910	3.2
166.02733	0.9
167.03461	2.3
169.01385	0.6
177.01958	1.3
178.02730	0.4
178.99847	0.9
179.03581	0.6
189.01930	0.8
190.02736	1.4
191.03525	0.8
192.00638	40.8
193.01396	53.9
194.02153	3.2
195.02965	9.1
205.01372	2.0
206.02203	1.3
207.02968	12.3
221.00940	0.9
222.01666	1.2
232.03876	0.4
234.01663	5.1
235.02466	5.0
249.04062	2.0
249.13338	0.7
255.05112	3.3
294.03787	0.7
311.55161	0.4
312.04767	1.9
313.05655	0.6
327.07190	1.4
448.06509	1.5
463.08795	100.0
464.09113	4.4
662.16162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
60.43725	1.5
69.90108	1.7
69.90480	2.2
73.02937	1.2
85.02948	1.3
96.44476	1.1
97.07666	1.0
98.22689	1.2
99.00877	5.2
111.00874	2.5
111.04533	1.2
117.93685	1.3
124.01668	2.4
124.98785	2.2
125.02464	7.2
137.02414	1.8
137.32451	1.1
139.00388	9.4
140.01138	2.5
150.03189	1.8
153.12842	2.3
161.02473	1.4
166.99841	1.9
167.03496	1.3
169.01390	6.6
177.12759	3.1
183.13911	1.8
192.00531	1.4
195.13850	4.2
199.13373	2.2
211.13356	2.8
221.11734	1.6
221.70862	1.0
233.11594	1.4
237.11302	14.1
239.12755	2.0
249.11273	4.2
255.12378	14.0
265.10696	7.1
267.12387	10.2
277.10788	4.2
279.12473	1.4
281.10040	2.7
283.11880	35.2
293.10300	1.9
294.10794	1.6
295.11862	59.0
296.12363	1.8
309.09851	1.9
310.10498	3.2
311.11349	100.0
312.11871	7.5
337.13025	2.8
353.12653	1.9
383.18634	1.2
457.17050	21.6
459.18820	1.4
473.16510	3.8
474.17270	2.5
484.44626	1.2
508.20459	2.4
509.03836	2.7
619.22766	8.3
636.22668	5.3
637.23712	13.7
799.28699	58.5
800.29022	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	799.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.6
62.47179	1.4
68.26254	1.1
71.01364	6.4
72.56784	1.2
85.02952	3.2
89.02445	3.2
92.29949	1.3
101.02435	5.5
109.02993	1.3
111.00853	3.5
113.02434	3.0
119.03467	2.0
123.00888	2.3
124.76989	1.1
125.02440	4.1
137.02498	1.3
139.00372	25.8
140.82077	1.1
152.98344	2.2
161.04626	1.4
166.99811	6.9
168.00639	2.7
169.01436	3.1
178.06325	1.7
181.01421	4.3
183.14001	2.0
237.07619	2.2
239.12863	4.4
241.14456	1.7
248.63847	1.4
251.12843	1.3
253.14360	2.9
267.12390	30.7
267.15359	1.1
268.13034	7.2
269.14011	7.0
279.12375	2.4
280.13022	1.8
281.13943	3.8
283.15234	1.6
295.11786	13.6
295.15457	9.0
296.12622	25.6
297.13409	97.6
298.14145	17.0
310.14297	2.1
311.15024	14.0
312.15698	3.7
313.16660	2.1
339.14520	1.9
345.15408	3.5
346.15671	1.6
347.16696	3.5
431.19324	1.5
459.18704	49.0
460.19373	8.7
473.20419	2.5
474.21088	3.5
475.21872	3.5
500.98386	1.4
501.19852	1.6
577.28540	2.6
621.23596	3.0
622.24438	3.2
637.27020	29.8
638.27380	1.9
647.82379	1.6
686.77588	1.6
722.88879	1.3
739.33435	8.1
758.03815	1.5
784.29846	4.5
799.32330	100.0
800.32227	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	799.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01103	10.1
89.05451	0.6
111.00829	0.7
117.43061	0.6
121.98629	0.6
123.75060	0.5
157.63875	0.6
163.39835	0.6
179.18047	2.3
193.15962	1.4
195.17535	29.2
196.17865	1.2
197.11810	0.8
207.17505	0.8
209.11891	0.8
211.13455	1.3
219.17523	55.4
220.17857	1.1
220.94943	0.7
227.12862	0.6
251.16496	17.5
279.16019	6.1
297.17047	6.6
339.18100	100.0
340.18430	1.9
450.76877	0.6
459.27499	1.4
551.90375	0.7
763.12268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55040	0.1
59.01374	0.2
61.98827	100.0
76.51410	0.1
81.00431	0.1
81.39958	0.1
86.76656	0.1
120.03616	0.1
125.02456	0.2
125.90894	0.1
135.49046	0.1
174.45729	0.1
181.48222	0.1
209.11954	0.2
233.66687	0.1
705.67419	0.1
735.00128	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01377	100.0
60.01707	0.4
68.64065	0.2
69.75307	0.6
71.01380	6.0
73.02941	1.8
75.39713	0.2
79.83555	0.2
81.03448	0.3
83.01389	0.8
85.02951	1.9
89.02438	3.3
91.01917	0.3
93.03473	1.9
95.01419	0.3
97.02979	0.5
98.21820	0.4
99.00891	0.6
100.60228	0.2
101.02446	3.4
113.02444	1.8
121.03003	0.4
125.02468	1.7
131.03543	0.8
137.02448	5.1
139.03986	0.3
143.03500	0.5
148.90952	0.2
149.04564	1.2
149.05661	0.2
151.04005	2.4
153.01924	0.4
159.03036	0.3
161.02425	0.3
161.04550	1.5
169.01535	0.3
179.03517	0.3
191.05637	0.7
197.04692	0.4
233.06805	0.3
233.20105	0.2
239.05550	0.3
269.10287	3.8
293.08759	2.8
311.11328	5.8
324.69363	0.2
355.46698	0.2
359.00085	0.7
467.12009	0.9
801.26471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.71336	0.2
70.60552	0.4
74.53242	0.2
109.05228	0.2
134.32465	0.2
157.94476	0.2
158.64731	0.2
181.93794	0.2
520.58459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
59.01376	23.3
61.27200	0.8
61.98815	1.0
69.03436	1.2
69.43331	3.2
70.90514	0.8
71.01003	1.4
71.01377	15.5
72.99326	1.1
73.02953	4.6
81.03432	1.3
83.01369	2.6
85.02958	7.4
87.00836	1.2
89.02438	3.5
95.01352	1.0
97.02924	1.4
98.22649	1.4
99.00853	1.8
101.02444	6.6
103.14555	0.8
113.02438	5.3
119.03483	1.4
124.60256	0.8
125.02435	2.5
131.03487	1.1
136.05281	10.0
139.11247	1.0
149.06087	6.2
161.04558	1.4
162.76799	0.8
163.07628	2.0
177.09175	1.0
205.12448	1.3
206.13120	2.1
221.15427	4.4
235.13403	7.7
249.14975	14.3
263.16498	2.0
265.14523	1.5
279.16028	5.0
279.64246	0.8
329.38846	0.8
355.26346	2.4
359.25809	2.4
373.22879	1.1
373.27374	7.4
389.26892	10.2
391.28519	54.0
392.28763	2.2
407.27460	1.0
417.26801	3.7
435.27490	26.2
436.27734	1.9
455.35309	1.1
477.28430	1.1
672.88666	1.0
741.36835	10.0
759.37573	3.2
785.36053	23.9
786.36810	1.2
793.65656	0.9
803.37030	100.0
804.37335	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	803.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.7
68.82752	2.8
70.62335	3.1
71.01373	7.2
78.07128	2.4
78.71200	2.7
87.00859	3.0
89.02435	8.4
90.38696	2.7
101.02461	5.6
125.02467	7.5
137.54770	2.6
150.39638	2.4
151.97047	2.7
161.18770	2.8
183.13896	4.2
193.12317	2.9
211.13390	100.0
379.12524	5.6
397.13608	20.9
415.14447	4.1
431.25235	3.0
609.27454	5.4
839.88794	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
71.01386	2.6
73.37221	1.1
81.03474	1.3
109.02954	4.1
121.02988	1.4
123.00889	1.8
123.04550	1.5
124.01635	1.2
125.02436	5.0
136.01630	1.8
137.02444	25.3
138.03264	1.5
139.00374	1.2
139.04028	1.6
149.02435	2.3
150.03180	2.7
151.00389	10.4
151.03929	5.4
152.01091	1.8
152.04715	2.9
164.01154	2.6
165.01929	100.0
165.05591	5.7
166.02708	33.5
167.03484	5.4
169.01425	3.0
175.04025	2.7
176.01155	1.5
177.01915	2.6
177.05627	1.9
179.02010	2.0
179.03476	22.5
180.04282	58.9
181.05052	38.3
182.05292	1.3
187.04024	2.5
191.03519	3.0
193.05086	1.7
194.05821	4.5
195.06619	75.4
196.06964	2.1
205.05008	6.5
207.06607	2.3
209.04565	6.3
210.05319	12.2
220.07495	3.1
225.07684	61.0
226.08076	2.6
234.05302	1.2
330.66153	1.2
341.10303	1.2
359.11166	1.6
362.48489	1.4
371.09927	9.1
371.14200	1.7
372.12027	1.3
386.13498	1.2
387.10349	7.3
387.14651	4.7
402.13116	3.9
403.14090	1.3
416.14661	4.1
417.15555	51.9
418.15927	3.2
423.40170	1.1
491.14075	2.6
550.18829	1.3
565.17590	1.3
595.21844	49.6
596.22308	5.6
643.23834	30.3
644.24426	3.7
805.35535	3.1
814.71509	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
57.13582	0.6
59.01384	2.9
61.98838	3.2
66.89608	0.5
69.12529	3.7
71.01371	1.1
92.62248	0.6
95.05028	1.0
98.77754	0.5
111.08147	6.4
125.02426	0.6
127.00119	3.8
149.09657	0.7
150.47470	0.6
163.09813	0.7
167.10767	2.0
177.12845	1.4
179.10750	1.5
195.13895	4.7
211.13451	0.9
229.24582	0.6
247.20645	2.2
273.18695	1.4
277.21732	4.6
291.19635	100.0
292.19891	3.1
297.15320	1.5
375.41891	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	807.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	65.0
71.57748	18.3
73.14914	18.4
79.63297	19.2
91.16142	18.2
92.28001	16.4
94.19544	18.8
94.55080	23.5
96.03522	24.2
103.13313	17.3
112.62855	21.8
123.06676	18.3
123.46533	16.7
125.02374	24.8
127.00122	29.3
128.90158	37.6
169.01451	36.7
197.11766	35.2
199.09781	23.1
210.11736	21.6
211.13390	100.0
225.11310	28.7
291.19583	18.6
309.20645	30.8
391.99759	24.0
434.88297	18.9
449.23111	20.4
697.23834	21.8
807.42963	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23594	0.8
63.96915	0.8
69.09670	3.4
69.10073	2.5
91.40029	0.8
93.03493	4.3
109.02908	1.4
121.02962	6.8
122.03750	15.2
123.04531	1.5
125.02457	2.0
133.02943	2.2
134.03764	2.2
135.04533	1.0
135.80826	0.9
136.01682	5.7
137.02440	4.5
145.02985	0.8
146.03720	1.4
149.02440	24.3
149.06062	3.4
150.03226	100.0
151.00404	1.5
151.04025	18.3
152.04749	1.9
161.02322	1.4
162.03261	1.1
164.04745	5.7
165.05568	91.7
166.02718	5.3
166.05928	1.6
167.03525	1.5
169.01422	1.2
177.05545	2.3
179.07137	6.9
180.04282	5.7
181.05084	8.1
187.04007	1.5
195.06630	48.9
196.07111	1.2
205.05128	1.6
207.06535	1.4
220.07483	1.7
361.79324	0.9
387.14612	1.7
417.15533	8.4
457.14954	1.0
535.15613	1.3
564.19934	2.4
565.20764	18.9
595.21771	3.2
613.22729	6.0
713.25983	8.6
743.27234	4.0
761.27539	2.2
791.29279	1.1
809.30554	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	809.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30675	5.0
74.90717	1.1
91.20361	1.2
93.03459	2.7
95.01377	1.3
112.47599	1.1
121.02938	5.2
122.03746	15.1
124.01729	1.0
125.02420	1.2
126.59490	1.0
133.02924	1.5
134.03810	1.5
136.01642	3.7
137.02448	2.2
146.03654	1.2
149.02396	14.5
149.06102	1.8
150.03220	99.7
151.04025	9.1
152.04820	1.2
164.04747	5.2
165.05557	100.0
166.02681	4.2
166.05771	1.5
167.03354	1.5
179.07156	6.5
180.04260	8.7
181.05045	5.2
195.06610	68.5
295.50021	1.2
305.13113	1.2
387.14557	2.0
394.41290	1.2
417.15497	8.9
565.20746	14.4
595.21747	1.4
613.22479	3.9
761.27527	1.5
809.30542	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
71.01370	1.1
71.45218	0.5
71.75574	0.4
82.68512	0.4
87.91702	0.4
89.02465	1.4
95.01373	0.6
96.02200	0.4
96.96008	3.9
100.28339	0.4
101.02442	0.7
105.22290	0.5
108.02192	0.4
109.02946	0.6
112.62591	0.4
119.15279	0.4
121.02937	0.5
122.03739	0.4
123.00935	1.8
124.01667	3.7
125.02415	1.3
136.01730	0.4
137.02443	1.0
138.03271	0.6
150.03140	0.5
152.01151	2.9
153.01956	1.1
161.04552	0.4
166.02728	1.1
167.03426	0.6
177.01854	0.9
179.05621	0.4
180.25945	0.4
181.05164	0.5
220.40395	0.4
233.15361	0.9
243.13663	0.4
254.47510	0.4
259.13327	1.2
261.04294	1.8
261.15103	1.0
275.12881	0.8
277.14407	4.6
287.12839	0.6
293.13943	5.9
305.13931	44.0
306.14282	1.8
307.15494	0.8
321.13412	100.0
322.14038	13.1
323.14944	6.1
335.15057	3.8
345.15390	0.6
347.15005	0.5
363.14551	1.3
467.19232	3.4
483.18689	4.6
484.19370	6.5
485.20306	7.2
486.20538	0.5
646.24847	7.2
647.25531	29.6
648.26208	2.8
809.30811	11.7
810.30878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	31.0
61.98814	22.0
70.33575	15.9
70.78819	6.9
74.05820	6.8
85.00407	11.3
87.00867	8.9
96.95996	9.8
103.01476	14.3
107.00417	7.6
111.08181	9.4
116.92840	43.0
124.01665	9.8
164.96826	6.7
167.39981	6.8
177.68225	6.7
184.17952	7.1
197.11821	39.5
199.13358	7.7
201.11336	65.9
209.09819	10.9
209.11798	99.5
211.13354	17.2
227.12886	22.7
235.08170	12.5
253.09282	72.9
263.20023	7.4
291.19571	20.8
309.20752	100.0
328.43857	7.4
386.12924	7.7
437.20300	18.6
438.96201	7.2
445.20395	13.7
545.29626	21.6
729.40625	12.8
737.41150	14.6
755.42291	10.3
809.40668	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	811.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
67.03732	0.5
73.02946	0.6
83.32738	0.4
86.27657	0.4
88.01218	0.4
95.86815	0.4
96.96032	0.5
107.01392	0.9
109.02940	0.9
123.00787	0.6
124.01668	1.8
125.02454	1.1
137.02422	2.1
151.00362	4.7
154.16655	0.4
155.10750	1.3
163.00352	1.0
164.01155	1.3
169.01437	1.5
169.77007	0.4
173.84692	0.4
176.53113	0.4
178.99864	4.5
180.00253	0.4
182.02222	0.8
193.01324	0.4
197.04584	1.3
199.09772	1.1
204.04326	0.5
204.33493	0.5
214.02643	3.3
219.03105	0.5
227.03519	0.8
242.02243	3.6
243.02950	1.8
247.49736	0.5
248.14659	0.4
259.02417	2.9
270.01730	3.4
271.02469	24.0
272.02698	0.6
287.01981	12.9
288.02634	1.0
289.14398	0.5
299.01785	0.5
303.09763	0.4
307.15472	3.1
316.02216	68.2
317.02902	14.7
318.02872	0.9
323.15036	1.3
347.13452	1.3
463.08807	100.0
464.09122	4.0
465.09360	1.3
509.16138	0.4
687.88452	0.4
811.32306	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	811.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
63.31668	0.5
69.36195	2.2
71.01384	1.3
83.01381	1.7
89.02434	0.8
96.02193	0.6
100.00096	0.4
101.02508	0.5
108.02171	4.4
111.00916	0.8
112.02773	0.4
113.02482	0.6
121.02892	1.0
122.03730	0.8
123.00881	2.0
124.01656	15.4
125.02422	1.3
134.03745	0.8
136.01665	1.1
137.02493	1.1
138.03249	0.9
139.00375	3.5
139.04039	0.5
150.03218	1.3
151.04044	0.4
152.01184	1.1
164.04839	0.9
177.01947	0.6
181.16019	0.5
217.16005	0.7
221.11798	1.3
233.15547	0.8
235.16956	0.8
237.11269	1.5
237.14871	0.9
243.13789	0.7
245.15425	4.3
251.16440	0.8
253.12366	0.8
259.13306	0.6
261.14908	5.8
263.16446	1.4
271.13428	2.9
277.14374	4.2
279.16003	2.9
289.14423	8.8
291.15985	0.7
293.17456	0.5
295.15475	7.6
296.31430	0.5
303.16000	0.5
305.14001	2.4
307.15488	100.0
308.15845	5.3
309.16956	0.7
321.17032	0.8
323.14969	86.6
324.15546	11.8
337.16580	1.4
349.16528	5.6
365.15961	4.5
366.16681	0.7
469.20779	8.7
470.21341	0.9
485.20184	1.7
486.21130	1.9
487.21686	0.8
550.17578	0.5
631.25684	1.2
648.26453	1.6
649.27057	29.0
650.27618	2.6
691.28339	1.4
762.70502	0.5
811.32373	27.4
812.32837	2.7
817.50574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.572
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29751	0.6
81.66833	0.7
100.56550	0.6
109.02915	0.7
111.35614	0.5
122.03763	1.1
123.04520	29.4
125.02473	0.8
129.98415	0.5
137.02412	4.9
138.03215	1.2
139.04012	1.2
151.04005	15.2
152.04776	1.7
165.05547	3.2
167.03471	3.1
179.10789	0.7
181.05069	0.7
193.08717	0.7
207.10246	0.7
221.15648	0.6
249.14935	0.8
303.23196	1.1
317.24829	3.0
331.22849	3.9
331.26389	0.9
345.24191	4.8
346.25092	10.8
351.70334	0.6
361.23788	3.2
361.27518	31.0
362.24503	21.5
384.13654	0.6
391.28516	100.0
392.28964	3.2
404.25775	3.1
419.27979	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	813.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01381	2.4
65.00359	0.4
69.43808	1.7
71.01385	1.1
81.31890	0.4
89.02451	0.8
95.01435	0.7
96.02187	0.7
97.02956	0.3
101.02447	0.7
101.51550	0.3
108.02192	0.5
109.02924	0.5
113.02473	0.5
122.03733	1.1
123.00883	1.8
123.04514	0.8
124.01651	3.2
125.02441	3.3
136.01686	1.1
137.02470	1.2
138.03233	0.7
150.03232	0.7
151.03949	0.4
152.01137	2.2
153.01945	0.9
159.04474	0.3
166.02747	0.8
166.57195	0.4
169.01413	1.4
177.01936	1.1
177.05606	0.4
198.27898	0.3
211.60548	0.3
263.16632	0.5
281.17538	6.5
284.30521	0.4
297.17093	7.9
309.17072	65.1
310.17358	3.0
311.18552	1.1
323.18652	0.7
325.16547	100.0
326.17242	14.3
326.21277	0.5
327.18097	2.9
339.18085	4.2
346.63919	0.4
351.18085	0.6
367.17584	1.5
471.22122	2.6
487.21710	3.2
488.22501	2.9
489.23367	6.7
633.27692	0.5
650.27863	4.6
651.28668	31.2
652.28900	1.9
665.07587	0.4
707.97229	0.5
813.33893	19.1
814.33582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.34
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95522	0.3
57.03443	1.0
59.01385	2.4
66.89240	0.4
69.42816	1.4
71.01384	1.4
82.18568	0.4
83.01417	0.5
88.98791	0.8
89.02450	1.1
95.01398	0.8
96.02168	0.6
96.96003	0.6
101.02461	0.6
108.02171	0.5
109.02968	0.8
119.03603	0.3
121.02971	0.7
122.03765	0.9
123.00878	1.6
123.04547	0.8
124.01656	2.9
125.02457	6.9
126.02795	0.4
136.01674	0.8
137.02451	1.3
138.03220	1.1
139.04048	0.5
149.02353	0.5
150.03203	0.8
151.04063	0.5
152.01170	2.0
153.01909	1.7
161.02499	1.2
163.00348	0.5
164.04820	0.3
165.01968	0.8
165.09244	1.2
166.02730	0.9
166.44179	0.4
167.03545	0.9
169.01443	1.9
175.03978	0.4
177.01936	4.2
193.01379	0.4
193.08707	0.4
217.05074	0.4
243.02975	1.4
269.04694	0.4
281.17575	6.6
287.05859	0.6
297.17038	7.5
298.17300	0.6
305.06473	0.6
307.15561	0.7
309.17056	64.8
310.17365	2.0
311.18570	1.2
323.18521	0.5
325.16537	100.0
326.17221	14.7
327.18085	3.4
339.18137	4.0
351.18143	0.7
367.17618	1.4
381.19318	0.5
397.02274	0.8
423.07227	1.2
424.06903	0.4
471.22388	2.5
487.21866	2.9
488.22589	4.1
489.23468	6.3
650.27893	5.3
651.28656	35.5
652.29102	1.3
813.33905	20.9
814.34656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01382	1.8
71.01383	1.1
89.02456	0.7
95.01408	0.8
96.02186	0.8
96.96032	1.1
101.02457	0.4
103.16302	0.3
108.02218	0.3
109.02956	0.9
110.08448	0.3
121.02975	0.3
122.03764	0.8
123.00879	1.6
124.01678	3.3
125.02454	5.7
133.03006	0.3
136.01672	0.4
137.02489	1.6
138.03239	1.3
149.02380	0.4
150.03244	1.3
151.03908	0.3
152.01154	2.7
153.01906	1.4
161.02419	0.6
164.01167	0.3
165.01939	0.5
166.02715	0.9
167.03491	1.0
169.01447	2.3
175.04022	0.5
177.01906	2.8
177.05629	0.4
179.03511	0.4
180.00650	0.4
207.02913	0.5
217.05069	0.3
243.02959	0.7
250.90535	0.4
279.15994	0.6
281.17575	5.4
297.17072	8.0
303.05045	0.6
307.15527	0.5
309.17068	61.1
310.17447	2.2
311.18680	1.0
325.16544	100.0
326.17215	13.6
327.18054	3.9
336.87421	0.4
339.18085	4.2
351.18088	0.5
367.17590	1.0
369.08240	0.4
423.07059	0.7
429.21167	1.0
471.22430	2.7
487.21768	3.9
488.22565	4.7
489.23447	6.3
650.27844	5.7
651.28674	33.4
652.28955	1.8
813.34027	17.1
814.34143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.0
61.98848	1.3
70.93468	1.3
71.01363	3.8
78.95924	3.1
79.17002	1.1
80.96500	1.8
83.05012	4.3
87.00871	1.5
88.98792	1.7
89.02460	3.3
101.02417	2.6
113.02432	2.4
129.09241	1.2
163.11241	3.0
171.10242	2.1
209.11819	100.0
210.12065	1.8
227.12924	9.8
235.08167	3.0
241.01263	1.5
253.09273	8.3
255.23216	1.6
277.21710	82.2
278.21982	1.6
308.22412	1.5
724.89606	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	817.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
63.02375	0.5
65.00317	0.8
66.27936	0.2
69.18542	1.0
73.02940	0.5
83.01405	0.9
85.71021	0.2
89.02467	0.2
90.99526	0.2
91.01865	0.2
101.02396	0.2
107.01382	2.4
108.02164	0.8
109.02956	1.7
111.35683	0.2
121.02929	2.0
125.02433	0.3
135.00865	0.7
139.03929	0.2
148.01688	0.8
149.02441	0.4
151.00363	9.8
152.00693	0.2
159.04474	0.2
161.02405	0.2
161.04564	0.3
163.00356	2.5
164.01151	0.6
165.01909	0.2
169.01419	0.3
173.05862	0.2
175.03914	0.2
178.99852	5.1
180.00174	0.2
183.04503	0.4
185.06085	0.2
187.03952	0.3
190.99881	0.2
192.00633	0.2
199.03941	0.4
201.05496	0.4
211.03975	1.0
215.03429	0.3
226.02713	0.7
227.03503	1.8
229.04997	0.9
239.03334	0.3
243.02969	4.8
244.03656	0.3
245.04482	1.5
254.02249	1.1
255.02959	14.1
256.03442	0.7
266.02228	0.4
271.02463	26.9
272.03000	2.1
273.03995	1.1
283.02448	1.9
299.02222	0.4
300.02725	63.2
301.03488	45.1
302.03824	2.3
372.18582	0.2
447.09280	100.0
448.09631	8.6
569.64343	0.2
601.24255	0.2
817.34668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.8
69.29945	12.5
71.01373	3.8
73.49504	2.5
99.00885	5.0
101.02462	2.5
123.04481	13.5
125.02405	2.5
137.02452	5.2
138.03223	8.1
139.03999	5.1
149.06165	2.3
151.03993	21.0
151.07686	2.6
152.04784	6.4
165.05521	9.7
175.21518	2.3
177.05496	2.8
197.08330	2.3
205.43031	2.2
235.13441	3.7
239.82018	2.7
263.13025	3.1
264.13596	6.7
265.14359	2.9
279.15930	2.7
280.13092	12.3
292.13126	3.7
292.16666	2.7
295.15491	9.4
307.15454	6.3
327.20044	2.4
354.21851	3.3
360.19357	8.9
372.22845	12.5
375.21442	5.5
388.22751	3.6
390.24042	48.3
398.20966	18.7
405.26352	7.0
413.23151	7.5
415.21085	4.3
416.21881	13.3
417.22995	3.3
430.67508	2.7
431.24271	7.8
434.23166	21.9
441.21222	5.7
449.25357	21.7
472.34128	2.6
475.23230	9.0
556.77338	2.7
593.29987	3.3
619.27252	3.5
637.28552	36.1
638.29767	3.2
655.29620	8.0
799.33673	8.8
817.34979	100.0
818.35004	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	817.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	2.8
75.78427	2.3
95.46381	2.5
98.21886	6.6
102.81475	2.2
112.32972	2.6
115.11245	2.4
141.01704	55.7
145.64786	2.3
169.01398	3.0
277.21552	4.7
331.65710	2.7
359.22070	5.6
397.13300	7.2
430.89188	2.8
437.12579	4.8
617.35522	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	817.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
59.01378	100.0
64.49921	0.8
69.31670	3.5
71.01379	14.4
73.02939	5.0
78.95912	0.8
81.10820	0.7
83.01387	2.1
85.02945	5.1
85.39909	0.7
87.00884	2.2
89.02450	1.5
95.01395	1.0
97.02954	0.8
99.00887	2.0
101.02438	9.8
109.24974	0.7
110.67279	0.7
113.02449	5.8
125.02431	3.3
126.13712	0.7
136.05312	4.0
137.02394	0.9
137.06081	0.9
143.03561	1.0
148.01651	0.8
149.06116	1.2
151.07649	3.9
159.03062	1.2
160.29791	0.7
161.04558	5.4
163.07732	0.7
167.03500	0.9
169.01410	1.2
177.01976	0.9
207.10349	1.5
221.11874	1.2
237.14888	3.3
249.15143	0.8
258.19843	0.6
278.17657	0.8
279.16129	1.1
293.17578	2.8
316.15509	0.7
331.17599	10.0
373.18634	15.0
387.25320	1.3
392.58304	0.8
399.20245	9.0
405.26389	6.3
438.80948	0.8
449.25461	3.7
773.36340	1.2
799.34113	5.5
817.35248	19.1
818.35553	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	818.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20638	0.2
61.98828	100.0
67.06813	0.1
69.40811	0.4
69.41209	0.4
92.01353	0.2
98.21896	0.3
107.16640	0.1
108.23795	0.1
130.40666	0.2
147.11308	0.2
190.85530	0.2
209.11847	0.2
265.65387	0.2
277.21567	0.2
442.20590	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	818.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	4.5
69.60807	8.6
70.15269	2.1
87.05660	3.3
92.11200	2.4
98.22723	2.7
105.12885	2.0
129.10339	16.4
130.08708	3.2
139.08730	5.0
146.06056	2.6
146.61992	2.4
155.08255	3.5
155.18321	2.2
164.09488	2.8
165.10312	2.8
200.14061	6.2
207.15031	10.6
224.17787	6.3
225.16043	4.3
241.13612	2.9
242.18739	15.9
243.18927	2.7
259.14554	3.2
295.21295	8.0
313.22299	6.6
330.17825	2.5
337.26047	8.8
355.27197	3.8
459.25381	2.4
526.60559	2.8
574.82318	2.8
657.53571	2.7
782.51849	100.0
783.51843	9.2
818.49194	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	819.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01360	1.5
69.03452	0.6
71.27925	0.6
74.95167	0.4
78.07122	0.4
78.80725	0.4
81.03439	0.7
83.01393	1.2
83.05013	1.6
91.59045	0.4
93.03459	0.7
95.01361	0.6
95.05001	0.7
96.95529	0.4
96.96015	3.7
97.02937	1.4
101.02469	0.4
107.05015	1.0
108.02151	0.6
109.02949	0.7
109.06633	0.6
117.26108	0.4
121.02950	2.3
121.06577	1.4
122.03735	3.7
123.00890	0.9
123.04489	0.6
123.08143	0.9
124.01653	10.1
125.02467	4.0
125.09660	0.6
133.06586	0.7
135.04544	0.7
135.08139	5.0
136.01691	0.5
137.02431	1.8
137.06023	2.5
137.09708	0.5
138.03259	2.0
139.07616	1.5
140.91263	0.4
145.06592	1.2
149.02448	0.6
151.03976	1.8
153.09189	2.5
161.06021	0.8
162.06847	0.9
163.07640	45.6
164.07973	0.9
165.05550	1.4
167.03540	0.8
169.01421	1.6
171.11732	0.8
175.03932	0.4
177.01924	1.6
179.07123	6.4
181.08699	13.5
182.09085	0.4
183.06561	0.5
189.05573	0.7
191.07111	1.5
197.08157	1.5
207.06618	30.4
207.10231	2.3
208.07007	1.0
209.08215	3.1
224.06853	2.2
225.07669	100.0
226.07997	2.2
237.14896	0.9
243.03131	0.6
247.06017	0.6
251.09207	0.8
269.10275	2.4
281.13882	1.7
361.09616	10.2
387.12939	94.3
388.13434	2.6
431.15604	9.0
460.36908	0.4
512.85150	0.4
518.24341	0.4
847.52057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.01366	1.2
63.02395	0.7
65.00305	1.9
70.42326	0.7
71.01347	0.5
79.95714	0.6
80.96500	1.1
81.03439	2.1
81.71468	0.4
83.01373	3.6
86.55089	0.5
91.24226	0.5
93.03450	2.4
96.96005	13.3
107.01373	3.0
107.05579	0.6
109.02922	1.1
111.00880	0.5
116.61641	0.5
121.02937	0.6
123.04504	0.9
124.01620	1.7
125.02438	40.2
126.02743	0.6
133.02977	1.0
137.02483	1.1
150.03197	0.6
151.00359	8.2
152.01147	12.2
153.01927	1.0
156.05742	0.5
157.06561	1.1
158.03636	0.7
159.04501	1.0
161.02425	1.1
165.01903	1.7
167.03462	0.5
169.01472	1.0
172.05299	1.9
173.06104	5.5
175.03963	1.1
177.01830	0.6
177.05545	3.1
178.99832	3.2
180.00635	2.6
187.07643	0.9
199.07642	1.4
200.04700	0.7
201.05577	3.1
213.05627	1.1
215.07112	6.2
219.06628	0.6
223.00497	0.5
241.04985	2.7
243.06572	6.9
247.84392	0.5
259.06091	100.0
260.06482	3.3
269.04459	2.6
285.03998	0.8
287.05591	90.0
288.06033	2.6
333.05966	0.7
367.01254	88.4
368.01654	4.9
405.53961	0.5
407.28061	1.0
451.27005	0.6
495.25693	1.0
648.87524	0.5
819.35645	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	819.3651
Annotation	Decatromicin A
Peak:m/z	Relative Intensity
57.03434	1.2
58.00602	1.0
59.01378	13.5
69.03426	1.0
70.01038	2.0
71.01377	13.3
72.99301	0.8
73.02946	6.9
81.03440	0.8
83.01379	1.9
83.04993	0.6
85.02948	5.9
87.00867	2.1
89.02439	3.4
95.01382	1.9
96.95985	1.2
99.00877	1.3
101.02448	6.7
102.13800	0.6
111.00882	0.8
113.02449	5.9
119.03471	0.7
123.04503	1.6
123.08138	1.1
125.02441	3.4
125.09756	3.8
127.35038	0.7
136.05312	8.6
137.02417	1.0
149.06093	6.4
153.09180	0.9
155.10754	1.9
161.04652	1.0
163.07613	1.9
165.01938	0.8
169.08611	0.9
175.40491	0.7
177.01846	1.0
177.09207	2.0
188.07652	0.7
191.10789	1.7
205.12280	1.5
206.13138	1.2
207.13824	0.7
216.54558	0.6
220.96071	0.8
221.06575	0.9
221.15440	0.9
233.11728	0.8
234.12540	1.4
235.13374	5.0
249.14948	57.8
250.15254	1.1
251.16505	0.9
263.16611	4.7
265.14374	2.7
265.17441	0.6
277.14474	2.0
277.18036	1.7
279.15994	28.8
280.16626	0.8
291.15894	0.7
293.17609	3.2
353.24780	3.0
369.24243	0.8
371.25949	2.5
387.25537	3.2
389.26929	5.5
407.28036	23.4
408.28293	1.5
433.25977	4.7
451.26974	22.3
452.27707	0.8
477.24960	1.7
757.36603	7.8
775.37189	3.0
801.35535	25.0
802.35565	2.1
819.36536	100.0
820.36957	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	819.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	6.7
66.22309	1.7
67.34010	1.9
69.21673	11.0
71.01381	5.0
77.86368	2.0
85.02960	1.6
91.82123	1.9
96.77983	1.8
96.96014	2.9
97.02920	2.9
106.69135	1.7
111.00871	2.5
119.55470	1.7
122.03722	2.7
123.04508	17.7
124.01665	2.2
125.02441	4.6
137.02420	7.1
138.03215	6.9
148.69756	2.0
151.04013	31.1
152.04741	7.5
165.05560	15.9
207.10202	2.5
207.27367	2.0
230.42297	2.1
237.14845	3.9
249.14966	4.1
265.14413	26.4
283.95520	1.7
289.66266	1.9
291.15604	2.3
374.24631	14.7
389.26724	4.2
390.23911	3.7
391.24701	2.1
392.25677	65.8
393.25851	3.0
400.22711	3.0
407.27899	6.2
415.24600	3.1
418.23615	35.0
419.24158	3.9
433.25912	22.1
436.24567	25.1
451.27075	19.7
462.22510	11.2
477.24951	20.0
501.98444	2.1
595.31439	5.9
615.26251	2.4
639.30139	43.4
641.14954	2.0
657.31189	5.3
801.35388	9.6
819.36566	100.0
820.36951	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	819.399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01718	0.7
61.98827	11.0
69.03440	0.5
71.01385	1.9
87.00880	0.6
88.46716	0.4
89.02448	1.9
90.18967	0.4
96.99283	2.4
97.02939	0.9
101.02452	1.8
107.81713	0.5
113.02451	0.9
119.03599	0.4
125.02443	1.5
125.04002	0.4
141.01703	54.8
142.02042	0.8
161.04491	0.4
167.52057	0.4
169.01431	0.8
211.13382	0.7
235.08156	0.6
243.04778	0.8
252.94196	0.4
279.23303	6.6
281.82501	0.4
305.08444	0.4
307.99707	0.4
311.22256	0.6
361.23578	3.5
397.08572	0.7
397.13452	9.4
398.13831	0.6
415.14554	1.5
419.11450	1.7
437.12558	4.0
584.21753	0.4
589.34302	0.4
677.37183	1.6
699.35504	3.6
767.97302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01381	11.1
69.39641	1.3
71.01380	7.4
73.02939	1.8
77.23180	0.3
83.01381	1.1
85.02953	3.4
87.00859	0.6
89.02446	3.1
95.01378	1.0
98.22607	0.5
99.00880	1.0
99.88851	0.3
101.02433	6.1
103.42457	0.2
108.02170	1.2
109.02957	0.6
113.02456	2.9
119.03510	1.3
123.04518	1.0
129.01921	0.4
131.03499	1.8
131.21992	0.3
135.04524	0.8
137.02423	2.7
138.03229	0.6
148.08914	1.5
151.04002	1.1
161.04564	1.4
161.05862	0.4
164.57921	0.3
176.08414	6.9
177.09119	0.6
178.09970	0.7
191.10771	12.1
192.11133	0.5
193.08714	0.9
193.12303	2.0
194.09404	1.1
209.11818	30.4
210.12199	0.7
226.08629	0.4
251.12952	0.5
263.16339	0.3
263.54663	0.3
312.83990	0.3
315.18085	6.3
371.17075	100.0
372.17395	5.0
392.25690	0.5
407.28192	0.3
433.25922	0.3
436.24597	0.5
447.22284	4.4
801.35553	0.4
819.36292	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	819.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44142	0.2
61.98805	0.4
95.01372	0.3
96.02168	0.5
111.00812	0.2
123.00872	0.6
124.01649	1.0
141.57353	0.2
152.01173	1.1
163.99774	0.3
165.00502	0.3
166.02690	0.5
167.14430	0.7
191.99196	0.6
192.99895	0.6
195.98584	0.3
204.99905	0.7
207.98642	0.4
218.16489	0.2
223.98111	0.6
237.14963	1.2
256.99496	1.2
265.14429	9.0
266.14972	0.3
271.00928	2.7
272.01645	0.5
277.12869	1.5
282.59464	0.2
284.99136	0.2
285.02478	0.7
286.00085	0.3
299.00534	3.6
299.03775	0.2
300.01135	1.5
305.12421	9.3
306.12686	0.7
313.02017	3.7
314.02457	0.5
320.11270	1.9
327.03610	0.5
332.00195	0.7
341.05112	0.3
348.17126	0.2
355.06665	0.4
369.08328	0.7
383.09634	0.4
383.13748	0.3
411.12881	1.1
412.13910	1.4
413.14578	0.3
416.13257	0.7
425.14578	0.6
433.62900	0.2
444.12711	0.8
497.27484	0.6
525.27045	23.9
526.27185	3.0
553.26544	100.0
554.26801	12.4
819.41754	6.6
820.41949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	1.0
59.01379	31.1
61.98828	100.0
63.33430	0.8
69.13255	1.8
69.13664	3.5
75.64803	0.8
92.66351	0.8
98.22678	1.8
109.60181	0.8
123.08507	0.7
125.02486	1.0
132.24902	0.8
139.97575	1.2
141.00653	1.8
141.01701	17.3
141.02797	0.9
242.38864	0.8
281.24847	2.7
363.25369	1.6
397.13492	3.6
505.83685	0.9
679.37866	1.1
701.36420	1.3
742.77216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01377	19.6
62.12698	0.3
69.41096	1.5
71.01381	10.5
71.01778	0.6
72.99307	0.5
73.02941	1.8
83.01392	1.6
85.02951	4.2
87.00871	0.7
89.02438	7.7
95.01416	1.2
96.96020	0.5
99.00880	0.8
101.02440	8.8
102.76462	0.4
111.00881	0.6
113.02435	3.9
119.03480	3.1
125.02437	3.4
137.06082	0.6
151.07651	0.7
167.03520	1.0
168.40671	0.3
169.01460	0.8
177.01982	1.3
178.50072	0.4
188.31898	0.3
194.05841	0.4
195.06572	0.7
195.10139	0.4
209.04581	0.6
221.11792	4.0
227.07246	0.4
235.13400	9.6
243.02786	0.4
252.05482	0.3
273.18591	3.7
287.20038	0.4
291.19528	0.7
299.20197	4.0
305.06995	0.4
317.21161	3.0
335.22229	15.5
336.22583	1.2
357.11844	1.9
371.10022	0.5
405.06042	0.5
497.27551	100.0
498.27963	8.7
552.16187	0.4
659.32813	53.3
660.33154	5.6
710.52313	0.5
821.38269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	4.5
61.46932	1.4
61.98827	100.0
66.71407	1.8
69.81644	4.7
71.01365	2.5
81.33512	1.6
83.76270	1.5
98.22620	1.8
143.99142	4.4
145.05144	2.1
159.64731	1.6
171.10190	1.7
209.11826	13.7
211.13426	2.2
227.12709	2.7
240.73242	1.6
289.18152	1.9
307.19189	3.6
436.25070	1.7
821.40509	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	823.425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.7
61.98821	23.2
70.65254	8.1
71.01379	11.1
74.95097	4.5
75.77741	4.0
85.35966	4.3
93.70248	4.2
96.96026	7.8
99.92581	9.5
116.92069	6.8
116.92861	100.0
116.97224	8.0
125.02424	5.4
169.01381	5.2
171.10265	12.2
182.39204	4.4
197.11768	8.2
197.13672	4.8
199.09760	6.8
207.10335	6.2
209.11787	56.6
211.13295	8.4
219.01021	5.4
225.11238	10.2
227.12854	18.7
247.02071	4.9
253.09206	12.8
289.17978	8.1
307.19156	12.5
309.20712	25.5
557.32904	5.6
638.26764	5.0
743.46216	4.6
814.19611	5.2
823.42609	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	823.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02180	0.5
60.60276	0.6
61.98830	1.3
62.26953	0.5
69.45834	2.6
76.87313	0.6
78.01104	8.4
82.95401	0.7
95.86004	0.6
102.05656	0.7
110.00075	1.1
111.00896	1.1
125.02499	0.7
137.99503	0.8
139.00311	1.2
141.25139	0.6
169.01466	1.5
179.18021	3.0
193.15979	1.9
195.17522	27.7
196.17928	1.0
198.78578	0.6
209.11810	1.1
214.37613	0.6
219.17520	58.5
220.17906	1.6
227.13048	0.7
251.16508	18.8
279.16006	5.5
297.17072	7.3
307.15399	1.3
339.18094	100.0
340.18320	1.9
418.40469	0.7
483.27481	1.8
512.20813	0.6
614.50647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.78783	0.3
63.02385	0.8
65.00311	1.9
70.82841	0.6
73.02937	1.2
79.95747	1.0
80.96526	0.7
83.01382	3.2
84.74099	0.3
93.03419	0.4
96.96009	14.8
105.03471	0.4
107.01378	2.6
109.02960	2.5
113.73297	0.3
115.69914	0.3
117.78965	0.3
121.02139	0.3
121.02943	1.5
121.69204	0.3
123.04519	2.3
124.01669	1.8
125.02442	68.9
126.01279	0.4
126.02780	1.7
133.02927	0.5
137.02449	1.4
139.03999	1.2
145.02890	0.4
147.04527	0.9
149.02437	3.2
150.03230	2.3
151.00371	10.3
151.04002	3.5
152.01167	5.4
153.01929	9.5
153.03105	0.7
161.02449	1.5
161.06071	0.6
163.00380	0.5
164.06996	0.4
165.01927	0.5
169.01440	1.2
171.04578	0.7
172.05298	0.6
173.06125	0.4
174.03275	2.0
175.03998	10.9
176.01198	0.4
177.01923	17.0
178.02298	0.6
178.99858	10.5
180.00554	0.9
181.01428	3.4
187.04031	0.4
188.04762	0.8
189.05566	3.4
191.03474	0.8
193.01404	1.2
193.05026	1.4
197.06219	0.5
197.11850	1.1
199.03986	7.0
201.01944	1.9
213.05576	1.2
215.03543	0.5
216.04367	0.9
217.02997	0.5
217.05045	7.3
218.05098	0.4
219.02916	0.5
229.05040	0.5
231.06671	1.2
241.05040	6.2
243.02956	1.0
257.04498	1.2
259.06091	4.3
273.07651	0.5
275.05579	5.9
275.95456	0.3
276.05746	0.4
285.04041	58.8
286.04425	3.2
301.03622	2.1
301.06876	0.4
301.13245	0.5
303.05084	62.3
304.05432	3.6
337.51343	0.3
381.02917	0.4
382.03119	0.5
383.00742	100.0
384.01056	5.9
479.08228	1.4
725.79156	0.5
835.73364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.7
69.12557	2.3
69.12968	0.9
71.01387	0.5
73.02945	77.2
74.03258	0.8
81.03436	0.7
87.34032	0.5
93.03458	0.9
98.22594	1.4
103.00440	0.6
107.01404	1.1
109.02950	1.1
121.02968	1.6
123.00852	2.7
123.08167	3.4
124.01645	3.8
125.02451	8.8
137.02463	2.3
138.03183	0.9
139.00323	1.0
139.04021	0.6
140.01149	1.0
148.01695	0.6
149.02481	2.8
151.00342	1.1
151.03972	1.1
153.01987	1.4
161.02425	0.8
162.03195	1.0
163.04027	0.7
164.01108	3.3
165.01915	3.7
166.02693	2.3
167.03477	1.1
167.07169	3.8
168.00629	2.9
169.01421	9.2
173.02533	0.5
177.01866	0.7
178.02789	0.8
178.99852	1.0
179.03484	0.9
183.03003	1.3
185.08202	1.3
189.02008	0.7
190.02701	2.1
191.03580	0.9
191.98058	0.8
192.00645	46.0
193.01411	61.7
194.02129	4.0
195.02975	0.9
197.11821	86.9
198.12111	1.9
198.41118	0.5
205.01265	1.1
206.02251	1.6
207.02959	13.1
211.02475	10.8
214.31004	0.6
221.00996	2.2
222.01685	3.1
223.02592	0.6
225.04131	0.9
227.09209	1.2
234.01653	6.9
235.02431	5.8
237.04073	0.9
241.10808	16.6
249.03979	3.1
250.35172	0.6
259.11963	1.9
269.10330	0.6
271.04553	2.3
273.17087	4.3
301.12918	75.0
302.13290	1.0
302.92993	0.5
312.04901	4.3
313.05539	4.1
327.07278	3.1
345.15533	1.0
461.07199	0.6
464.05756	1.9
479.08304	100.0
480.08536	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	826.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
61.98828	100.0
71.01379	6.4
72.99308	1.4
75.00873	1.9
80.97034	0.6
83.01385	2.1
85.02949	5.3
89.02444	4.1
94.12794	0.7
95.01422	2.4
96.95959	0.9
98.22680	1.4
99.00881	1.9
111.00858	4.5
113.02470	4.7
139.00371	1.3
150.42104	0.6
194.61040	0.7
311.22363	0.8
396.03690	0.8
455.35535	3.1
483.34781	1.0
551.37463	2.6
569.38538	1.7
763.42725	75.1
764.42957	6.4
785.92249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.4
69.77354	0.3
71.01389	0.7
72.76935	0.3
73.02955	0.5
81.03454	1.2
83.01389	2.8
85.02958	0.5
93.03410	0.4
95.05036	1.6
98.22447	0.3
101.02444	0.7
105.03456	4.4
109.02966	0.8
121.02950	0.5
123.00841	0.3
124.01659	3.9
125.02444	100.0
126.02756	1.6
133.02950	1.2
137.02437	7.5
139.00409	0.6
139.04008	1.7
140.01233	0.4
145.06641	0.3
145.65800	0.3
149.02472	0.9
151.03983	0.6
159.04485	0.3
161.02443	47.2
162.02867	1.2
164.01155	0.5
165.01939	0.9
166.02702	0.7
167.03484	1.1
168.00639	9.5
169.01418	1.2
173.06006	0.4
175.04022	1.2
177.01993	2.1
177.05542	2.4
183.02980	21.6
183.04324	0.8
185.02446	0.3
192.00607	0.7
197.06068	0.5
199.04027	0.6
201.01920	0.4
201.05525	1.7
203.03520	0.8
207.02991	0.7
213.05588	0.4
217.04953	0.4
218.72736	0.3
219.03050	0.5
219.06612	1.2
221.04567	0.4
225.05566	1.0
227.03490	1.3
229.01448	1.1
241.05193	0.4
243.02934	0.4
243.06595	0.9
245.04538	0.5
261.03915	0.5
263.12878	0.4
269.04547	6.0
269.10229	0.4
287.05609	38.3
288.05933	1.7
303.05142	0.5
305.06638	1.9
311.11472	0.6
323.15152	0.3
333.05969	0.8
339.14825	0.3
345.05966	0.6
471.09332	9.6
472.09589	0.7
510.64883	0.3
709.58276	0.4
827.34204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.0
63.02381	0.7
65.00317	1.3
68.99819	0.7
79.64506	0.8
79.95750	1.2
80.96513	2.0
81.03448	1.8
83.01375	2.6
93.03447	3.4
94.25098	0.6
96.96011	33.8
107.01415	3.3
108.02218	0.9
109.02941	1.8
119.05034	0.8
121.02979	2.0
123.04550	1.0
124.01630	2.0
125.02449	43.3
126.02752	1.5
133.02908	1.5
137.02402	2.1
145.74472	0.7
149.02434	0.8
151.00372	8.5
152.01135	10.9
153.01930	1.1
156.05801	0.8
157.06613	0.9
159.04459	1.0
161.02435	3.0
165.01930	4.7
167.03445	1.8
169.01465	3.5
172.05258	2.1
173.06105	5.1
175.03978	2.3
177.01912	6.9
177.05547	2.1
178.99857	4.7
180.00639	2.3
197.05988	0.7
199.03923	0.7
199.07745	1.3
201.05566	3.7
215.07126	6.6
227.03755	0.6
241.05090	1.6
243.02908	2.2
243.06619	7.2
244.06781	0.7
255.02933	0.7
259.06100	91.3
260.06451	5.6
269.04550	3.7
285.04044	2.0
287.05606	79.9
288.05908	5.4
302.64368	0.7
303.05078	1.1
319.04608	1.5
367.01270	100.0
368.01569	6.4
402.79553	0.6
423.07437	1.7
813.52478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.7
69.22041	5.4
71.01389	2.0
85.02964	0.9
89.02439	3.2
95.01404	0.9
97.02952	1.0
101.22033	0.9
108.02138	1.1
109.02903	1.5
111.00883	1.1
122.03751	1.4
123.00890	2.0
124.01647	8.4
125.02441	11.5
136.01643	1.9
137.02432	3.1
138.03227	4.3
139.00368	4.8
149.02362	1.0
150.03258	4.8
152.01155	1.8
164.04770	1.9
165.01900	1.2
166.02734	1.2
167.03481	2.5
169.01364	6.3
177.01926	2.6
219.43233	0.9
233.15439	5.2
235.13339	6.7
243.13895	6.8
245.11667	1.2
249.14967	5.7
251.12756	3.3
259.13260	2.8
261.04062	1.0
261.14932	33.9
262.15213	1.2
263.12851	78.8
264.13336	2.7
265.14355	1.5
275.12854	1.2
277.14407	27.9
278.15128	2.5
279.12354	47.7
279.15594	2.2
280.13004	6.8
281.13876	4.6
287.12817	4.4
293.13953	1.9
295.15564	1.0
303.05130	1.1
305.13928	19.5
321.13339	11.0
322.14072	1.6
323.14960	100.0
324.15271	3.1
329.13803	1.1
339.14438	70.8
340.15179	11.0
341.15707	1.2
347.15002	2.9
363.14429	1.7
365.16000	3.6
381.15448	3.6
425.17807	1.1
441.17484	1.0
442.18427	1.6
473.63721	1.1
485.20258	9.6
502.20676	1.1
503.21652	1.5
605.24634	2.5
629.44293	0.9
647.25427	3.6
665.26544	55.8
666.27118	1.3
671.25513	1.2
707.27814	1.8
827.31842	69.6
828.31903	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	827.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
71.01374	2.6
71.45232	0.9
83.01410	1.8
89.02467	1.3
96.02116	1.3
96.03321	0.8
96.96010	2.1
98.21810	2.4
101.02428	3.5
108.02156	4.2
109.02930	2.4
109.03601	0.9
112.59027	1.1
118.21645	0.8
121.02937	2.6
122.03769	2.4
123.00919	2.9
123.04504	2.0
123.08222	0.9
124.00742	1.0
124.01659	18.2
125.02439	14.6
134.03778	1.1
136.01680	1.1
137.02420	2.1
138.03217	2.7
139.00323	4.5
149.02425	1.1
150.03207	3.8
150.05981	1.1
151.03960	1.6
152.01202	1.2
153.02010	1.7
164.04742	1.4
165.01878	1.2
165.93318	1.0
167.03535	3.7
169.01459	5.8
177.01927	8.7
243.03006	1.7
243.13918	2.2
249.15047	0.9
251.16330	1.3
255.02577	1.1
259.13248	1.4
261.14978	2.5
275.12836	1.0
277.14294	6.1
279.16129	1.6
287.09937	1.1
287.12949	3.0
293.13904	8.8
301.03323	1.3
303.05011	1.3
305.06668	1.6
305.13928	48.3
311.14978	5.1
321.13400	30.9
322.14111	7.2
323.14978	100.0
324.15256	3.7
335.14923	2.3
339.14465	82.0
340.15161	12.3
347.15082	1.4
381.15289	2.4
484.19495	3.1
485.20242	10.5
501.19595	2.3
502.19983	1.7
502.85437	1.2
646.49866	1.1
647.25568	19.0
647.36072	0.6
665.26605	30.1
666.27228	1.7
783.49182	1.0
809.30096	2.6
827.31909	47.0
828.32031	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	827.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.4
62.16436	0.6
69.40513	2.9
71.01379	1.2
73.33904	0.5
93.03429	0.6
95.01387	0.7
96.96031	1.0
122.21562	0.6
122.75440	0.6
123.00858	1.5
124.01652	1.1
125.02439	4.2
137.02446	1.8
150.03235	1.1
152.01163	1.3
165.01898	0.9
166.02654	1.0
167.03415	1.0
169.01424	1.0
176.32497	0.6
177.01897	1.0
237.14980	1.8
249.14932	2.1
251.16473	1.4
255.75037	0.6
264.13678	0.9
265.14423	100.0
266.15112	16.5
268.93024	0.7
277.14255	1.0
279.15985	17.9
280.16736	10.9
281.17609	4.6
293.17636	1.1
325.16406	1.2
427.19653	1.4
428.20435	7.4
442.21967	1.7
443.22775	32.0
444.23132	2.0
487.21579	0.7
605.28107	66.6
606.28497	4.8
737.29230	0.6
780.30518	0.7
827.35901	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	828.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	1.2
72.04494	0.5
95.05010	0.9
96.04546	0.5
98.02486	1.7
98.21793	1.1
100.04111	0.5
109.02965	2.1
110.06145	1.4
111.04448	0.6
118.05103	13.1
125.02470	4.4
125.06079	4.3
132.18745	0.5
136.05286	2.2
137.02405	1.1
137.09729	0.9
138.09232	1.0
139.07635	1.1
149.02386	0.8
149.06104	2.3
151.07640	1.3
152.01132	0.5
152.08360	1.0
153.01912	0.6
153.09236	0.6
161.09718	0.8
163.07602	1.1
163.11397	0.8
165.01939	0.8
165.09125	0.9
167.03488	1.5
169.01445	1.6
175.07631	0.7
177.01947	1.8
177.12869	0.7
186.10539	0.6
192.00633	5.4
193.01410	6.3
195.02991	1.5
201.12822	7.5
203.10767	5.0
203.14403	1.9
204.11530	3.5
205.12068	0.7
207.02942	0.9
219.13885	8.4
220.14235	0.6
230.09465	1.6
235.02330	0.6
245.11812	5.0
273.80765	0.5
287.05603	0.5
302.17621	1.0
305.16354	3.0
320.18613	4.3
346.16840	2.8
364.17639	100.0
365.17950	5.3
455.98773	0.6
463.08878	10.6
730.94855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
63.47680	0.2
67.01932	0.2
69.03463	1.1
70.80223	0.4
71.01376	0.5
73.02950	0.7
79.01888	0.2
81.03464	1.8
83.01392	0.6
92.61114	0.2
95.01389	0.2
97.02959	1.5
97.25584	0.2
101.02452	0.6
105.03456	0.7
107.01380	0.5
109.02940	0.4
111.04568	0.2
113.02439	0.2
123.00887	0.9
124.01669	0.5
125.02445	54.1
126.02795	0.7
133.02982	0.3
137.02443	1.6
139.04002	0.7
149.02441	0.3
153.01938	0.3
161.02438	3.5
161.04532	0.3
164.01169	0.3
165.01938	1.2
166.99751	0.3
167.03500	1.3
169.01421	100.0
170.01817	1.3
177.01901	0.3
177.05634	0.5
179.03520	0.8
191.07109	0.2
193.01398	1.9
201.05585	0.3
205.01543	0.4
219.06625	0.7
225.05589	0.3
243.06758	0.3
261.07642	0.2
263.12988	0.3
269.04501	1.1
287.05563	1.8
305.06653	5.7
306.07034	0.3
319.04584	0.5
327.10745	0.4
331.04495	1.4
340.14838	0.3
457.07758	15.9
458.08160	0.8
576.90948	0.2
578.97827	0.2
665.54547	0.2
770.93536	0.2
829.32385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.4
63.02383	0.8
65.00322	2.8
65.85208	0.3
68.76663	0.3
69.20786	1.2
69.21191	0.6
69.43970	0.3
74.18826	0.3
79.95729	1.5
80.96512	2.1
81.03458	2.0
83.01373	3.9
93.03459	3.3
95.01368	0.3
96.81034	0.3
96.96010	39.2
98.22666	0.3
107.01395	3.4
109.02956	1.1
121.02923	1.4
123.04561	0.8
124.01679	2.2
125.02445	37.9
126.02746	0.6
131.04987	1.0
133.02966	1.4
133.44133	0.3
137.02452	1.5
145.06589	0.3
147.00854	0.3
149.06015	0.4
150.06848	0.3
151.00369	10.8
151.53436	0.3
152.01149	13.5
153.01834	0.7
156.05807	0.6
157.06631	1.4
158.03720	0.8
159.04489	1.0
165.01917	4.7
171.04393	0.3
172.05315	2.4
173.06084	6.0
174.06468	0.4
175.03964	1.0
177.05551	2.6
178.99857	3.9
180.00633	2.3
181.01331	0.4
187.07649	0.5
197.06044	0.6
199.03975	0.9
199.07596	1.3
200.04842	0.7
201.05592	3.7
203.03558	0.5
209.08121	0.8
213.05565	0.8
214.06302	0.5
215.07092	7.7
219.06712	0.6
219.13870	1.3
241.05042	3.1
243.06621	5.8
257.04480	0.4
259.06094	96.9
260.06467	4.0
269.04562	2.1
275.16476	0.9
285.04068	0.8
287.05600	88.7
288.06015	3.3
367.01254	100.0
368.01587	4.0
371.13449	0.5
419.28021	0.4
445.26114	0.4
463.27533	0.8
674.40924	0.4
831.36511	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	832.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12989	0.5
59.01375	52.3
61.35006	0.5
66.40332	0.5
67.74064	0.6
69.28202	3.2
69.41119	0.5
96.27206	0.6
132.98177	1.2
174.99236	30.7
192.95914	0.8
201.02539	2.9
215.95000	0.6
217.00278	100.0
218.00636	1.8
256.92114	0.6
268.86591	0.6
359.01508	4.7
364.61957	0.7
374.99182	63.8
375.99493	1.7
480.24661	0.6
484.77426	0.7
517.00385	4.8
532.98120	30.3
533.98798	0.7
674.99048	1.3
690.96912	5.7
752.79980	0.6
827.96069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.1
71.01378	2.7
73.02931	1.0
80.55259	0.3
83.01360	0.6
85.02946	1.1
89.02439	1.3
93.03449	0.9
95.01395	0.4
97.02987	0.4
101.02441	2.2
105.37282	0.3
107.05036	0.5
108.02155	1.9
109.02950	5.4
113.02444	2.7
119.03484	0.6
121.02949	1.3
123.00837	0.4
123.04524	0.7
124.01644	0.8
125.02422	1.2
131.03459	0.4
133.02922	0.5
135.04514	0.7
136.01662	0.7
137.02454	1.9
145.02917	0.7
149.02470	2.1
149.04564	0.5
151.04045	1.7
152.01152	2.7
153.01936	7.9
160.96635	0.3
161.02388	1.2
161.04552	1.0
162.03146	0.8
163.04037	0.6
164.01151	3.4
165.01918	3.1
166.02699	0.7
167.03444	1.2
177.01912	0.5
178.02687	0.8
178.99887	0.7
179.03490	0.7
179.18596	0.4
190.02673	1.6
191.03511	0.8
192.00635	40.2
193.01405	51.1
194.02145	3.5
195.02969	8.8
198.97742	0.3
205.01375	1.7
206.02141	1.4
207.02969	11.9
221.00819	0.9
222.01698	1.3
234.01678	5.3
235.02461	4.8
237.04018	0.4
249.04001	2.6
255.05165	2.3
271.02390	0.3
294.03867	0.6
312.04880	2.2
312.62836	0.4
313.05688	0.6
316.02243	1.4
325.12878	0.5
327.07159	1.4
448.06448	0.9
463.08804	100.0
464.09116	4.0
575.53821	0.4
691.22870	0.5
781.68042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	12.2
60.01673	3.5
69.21054	23.8
71.01369	5.2
85.02950	6.2
96.95938	4.5
98.04974	3.4
125.02429	10.6
139.24495	3.7
150.06857	51.2
161.02455	3.9
163.07570	20.6
164.04810	3.5
164.08385	14.2
167.03453	4.4
169.01347	5.5
177.09132	3.6
179.10774	24.5
329.23331	21.4
355.71030	4.0
358.75818	3.5
491.33618	8.3
501.73306	4.2
508.34015	23.0
509.34705	35.7
671.40167	20.4
786.66235	4.0
833.45831	100.0
834.46033	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	835.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
69.60879	1.5
105.03446	0.4
107.01405	0.7
109.02955	0.5
121.02946	1.4
123.00851	2.3
123.04531	0.8
124.01635	2.8
125.02440	10.3
126.02822	0.4
135.04544	0.5
137.02434	1.9
138.03209	0.6
139.00435	0.5
139.04062	0.7
140.01163	0.6
145.02945	0.7
147.04448	0.4
149.02400	2.1
151.00343	0.8
151.03957	0.8
153.01918	0.4
161.02422	1.5
162.03203	0.7
163.04016	0.5
164.01192	1.9
165.01912	2.9
166.02692	1.4
167.03467	1.3
168.00653	2.7
169.01404	7.7
173.02422	0.4
176.70724	0.4
177.01961	2.8
178.02650	0.6
178.99873	0.5
179.03442	0.5
183.02975	1.2
189.01958	0.8
190.02721	1.3
191.03497	1.2
192.00641	25.9
193.01405	39.9
194.02226	2.5
195.02979	0.9
205.01419	1.5
206.02203	1.4
207.02965	8.9
211.02504	5.4
221.00826	1.0
222.01601	1.1
223.02383	0.6
234.01680	4.1
235.02466	4.4
243.02945	0.6
249.03970	2.1
261.03809	0.5
271.04617	1.7
295.04495	0.4
312.04968	2.9
313.05621	2.9
327.07202	2.2
464.05801	0.8
479.08282	100.0
480.08545	4.8
544.79559	0.4
790.13397	0.4
835.35834	0.8
850.55774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
67.39323	0.4
71.01390	0.6
73.02953	0.5
81.03447	0.5
81.86852	0.4
86.37999	0.4
95.01363	0.7
97.02948	0.6
98.21881	1.2
107.01395	1.8
109.02923	1.1
111.00824	0.7
123.00883	4.7
124.01709	3.0
125.02441	23.2
137.02431	0.8
139.00307	0.4
139.09213	0.5
140.01160	0.9
141.01964	0.5
149.02464	1.0
151.00366	2.0
152.01169	0.9
153.01955	1.8
161.02415	2.0
162.03178	1.3
163.03894	0.4
164.01149	1.2
165.01756	0.5
166.02734	1.2
167.03506	1.0
168.00659	1.5
169.01424	27.3
177.01917	0.9
178.02718	1.1
178.99794	0.7
181.05011	0.5
183.03040	0.5
189.01968	0.7
190.02673	4.3
191.03506	0.7
192.00635	14.6
193.01382	7.4
193.04984	0.6
194.02208	3.1
195.76390	0.4
205.01379	1.5
206.02129	2.3
207.02969	6.2
211.02454	1.5
217.01266	0.6
221.00987	0.9
222.01724	1.5
223.02408	0.6
234.01709	9.0
235.02429	1.1
237.04100	1.0
239.02153	0.4
249.04031	7.2
253.03416	0.6
271.02393	1.5
271.04858	0.9
276.02441	0.5
287.02020	1.1
287.05420	0.6
294.03760	1.6
309.06097	1.3
312.04886	3.7
316.02185	6.7
316.05606	0.4
317.02856	1.0
321.41394	0.5
327.07385	2.5
442.28424	0.5
464.05566	0.8
479.08292	100.0
480.08539	2.6
505.41681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01727	0.5
63.40984	0.2
68.96644	0.3
69.38019	0.7
69.38416	0.5
71.01381	9.5
71.17548	0.2
73.02951	3.4
83.01379	1.4
85.02950	4.3
88.83388	0.3
88.98796	0.7
89.02459	1.1
95.01414	0.9
97.02974	0.4
99.00894	1.2
101.02446	7.0
103.80147	0.2
113.02451	3.9
119.23089	0.2
123.04556	0.3
125.02457	1.5
143.03523	0.4
150.03239	0.4
151.04012	0.3
153.00244	0.3
159.03056	0.8
161.04558	4.2
167.03474	0.2
169.01482	0.5
195.06618	0.4
331.17603	9.0
332.18088	0.4
373.18607	7.0
766.82568	0.3
835.36957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60427	1.3
94.92517	1.3
95.01430	2.0
96.02147	1.5
96.49538	1.3
96.96008	8.1
123.00876	3.3
124.01688	7.4
127.40742	1.4
130.77632	1.2
131.06792	1.4
152.01154	9.0
154.91815	4.3
159.41843	1.4
160.33243	1.1
237.14946	7.3
265.14438	60.8
266.14633	2.0
272.97116	2.7
286.98605	1.9
314.98233	8.4
321.10162	7.7
328.99692	3.0
347.97864	1.8
427.10437	2.6
428.11530	1.6
489.25174	2.0
541.24750	44.9
542.25000	1.8
569.24213	49.3
671.49890	1.5
753.92731	1.4
835.39484	100.0
836.39893	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	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01375	10.5
61.13536	0.3
61.98821	0.3
68.13766	0.3
69.03465	0.5
69.31534	0.3
69.35151	0.6
69.35532	0.8
71.01011	0.6
71.01382	8.0
72.99292	0.5
73.02947	1.4
74.50179	0.3
80.02670	1.4
81.03446	1.6
83.01375	1.1
83.04559	0.6
83.05020	4.7
84.02164	0.9
84.11518	0.3
85.02945	1.7
87.00875	1.7
89.02439	7.2
93.03445	0.5
95.01382	0.8
95.05029	0.8
96.96012	1.8
97.02934	1.1
99.00846	0.7
101.02436	5.7
109.06540	0.4
111.99524	0.3
113.02453	3.9
119.03517	2.4
125.02442	3.7
125.06039	0.4
131.03534	0.4
135.08128	0.8
143.03487	1.7
149.04570	0.4
161.04564	1.5
162.53598	0.3
163.11275	4.2
165.05690	0.3
165.12845	2.4
167.03474	0.5
169.01402	0.7
171.10233	1.0
179.05586	2.6
181.12390	0.5
185.11861	0.5
191.10762	0.9
199.13411	1.5
209.11818	100.0
210.12161	1.3
211.13344	0.5
217.07066	0.3
221.06709	0.6
227.12875	16.3
228.13136	0.4
235.08257	2.9
247.13319	0.5
251.12869	0.7
253.09154	0.4
263.07739	0.4
287.07828	0.5
305.08813	1.2
323.09802	1.3
333.86053	0.3
361.11572	0.4
379.12442	2.5
397.13489	21.9
415.14554	6.3
427.47137	0.3
507.42615	0.4
589.25464	0.5
607.26288	1.7
661.59534	0.3
799.37689	0.8
804.90540	0.4
817.38971	0.9
835.40125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.4
60.48642	0.5
61.98864	0.6
70.62108	0.6
70.62426	0.8
71.01404	1.5
83.01416	2.2
85.02975	0.6
88.00369	0.5
88.98827	0.6
89.02440	0.9
95.01424	0.9
97.02940	0.6
101.02446	1.3
108.02146	3.2
109.02983	1.1
110.00211	0.6
110.64602	0.6
111.00886	1.0
113.02493	1.1
115.02749	0.5
118.81336	0.5
121.02995	2.0
122.03759	1.1
123.00922	2.5
123.04552	1.4
124.01669	16.1
125.02457	3.3
134.03755	1.4
135.04507	0.6
136.01732	0.8
137.02477	1.9
138.03239	0.9
139.00366	3.9
150.03249	1.8
151.00294	0.7
151.04056	0.9
152.01176	1.1
161.02516	0.7
164.04875	1.2
165.01976	1.5
169.01413	0.7
177.01978	0.9
179.03528	0.7
259.16922	1.2
261.14987	0.7
263.16553	0.9
265.14178	0.6
269.15451	1.4
271.17001	4.8
272.95871	0.6
285.15100	0.6
287.16531	6.5
289.18182	1.2
297.14926	2.1
303.15967	4.6
305.06628	0.6
305.17609	1.8
313.14349	0.9
315.15988	11.8
317.17575	0.9
321.17084	6.3
331.15552	3.7
333.17068	100.0
334.17432	3.8
335.18680	1.5
347.18582	0.8
349.16544	70.8
350.17151	9.4
363.18051	1.3
375.18073	3.5
391.17731	3.9
392.18063	0.7
495.22345	14.6
511.22110	0.7
512.22522	1.1
513.22900	0.9
657.27722	2.0
674.28241	2.2
675.28607	34.6
676.28705	2.2
717.30096	1.5
746.94513	0.6
749.32190	0.6
837.33984	32.6
838.34528	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	839.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.98798	0.3
63.09578	0.3
64.17970	0.3
69.38323	1.5
71.01357	1.1
73.02918	0.4
89.02431	0.8
95.01389	0.3
96.02132	0.5
101.02428	0.5
108.02121	1.1
109.02922	0.5
111.00826	0.4
113.02447	0.4
114.90782	0.3
123.00841	1.6
124.01649	2.1
125.02423	0.8
125.03404	0.3
130.92668	0.3
136.01686	0.5
137.02408	0.7
138.03226	0.6
150.03168	0.9
152.01164	2.8
153.01909	0.7
162.31062	0.3
164.04779	0.3
166.02689	0.5
167.14409	0.3
177.01863	0.4
189.97708	0.3
212.35664	0.3
221.15457	7.2
225.32817	0.3
235.17067	0.4
237.14948	7.7
247.13406	0.3
249.14938	43.0
250.15254	1.4
251.16426	1.2
263.16525	0.9
265.14429	100.0
266.15048	11.4
267.15970	7.6
268.16223	0.4
277.14526	0.4
278.15262	0.6
279.16010	4.3
307.15378	1.6
321.17172	0.4
411.20102	3.6
427.19650	2.1
428.20566	3.6
429.21243	5.4
430.21912	0.4
453.21268	0.3
469.20444	1.4
470.21588	1.3
471.22311	2.4
573.25385	0.5
591.26550	9.4
592.27057	0.7
632.26801	7.7
633.27527	17.8
634.27820	1.4
795.32843	10.4
796.33118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
71.01374	0.8
73.02931	0.3
84.95115	0.3
89.02444	0.7
89.65724	0.1
95.01397	0.4
96.02188	0.3
98.37061	0.2
101.02470	0.6
108.02171	1.1
109.02964	0.4
111.00908	0.2
113.02441	0.3
119.03561	0.2
121.96056	0.2
123.00906	1.0
124.01658	1.7
125.02464	0.2
136.01654	0.4
137.02458	0.5
138.03203	0.5
150.03232	0.7
151.00374	0.3
152.01154	3.1
153.01901	0.7
154.02667	0.2
161.02441	0.2
165.01886	0.2
166.02711	0.8
167.14465	0.3
184.00111	0.3
193.15973	0.2
195.73322	0.1
203.14438	0.4
218.23471	0.2
221.15459	7.8
222.15814	0.2
237.14961	6.6
237.17384	0.4
238.15250	0.3
247.13333	0.2
248.14244	0.2
249.14948	42.1
250.15344	2.3
251.16501	1.1
263.13760	0.2
263.16531	0.5
265.14432	100.0
266.15073	11.9
267.15973	9.8
268.16501	0.2
277.14374	0.6
278.15237	0.4
279.15967	4.1
291.15958	0.6
293.17715	0.2
307.15424	1.7
321.17178	0.4
411.20322	0.8
427.19720	4.8
428.20441	2.6
429.21234	4.7
430.21753	0.2
453.21274	2.5
470.21460	3.3
471.22256	2.5
573.25970	0.2
590.25775	7.5
591.26520	9.2
592.27014	0.6
615.27063	0.3
633.27588	20.6
634.27631	1.4
639.17072	0.2
795.32916	12.9
796.32880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45062	0.5
59.01379	3.1
61.98827	3.1
62.26681	0.4
69.62209	2.0
71.01391	1.5
78.84695	0.5
83.01397	2.2
85.02959	0.7
85.40783	0.4
87.00831	0.5
89.02469	1.3
93.90753	0.5
95.01385	1.0
96.02139	0.5
96.96019	0.6
98.21925	1.0
101.02464	0.8
108.02181	3.9
109.02966	0.8
111.00898	0.7
113.02457	0.8
121.02957	1.0
123.00870	2.5
124.01656	16.0
125.02473	1.5
136.01738	0.7
137.02467	1.0
138.03242	0.5
139.00375	4.6
150.03239	2.1
152.01196	1.0
157.35963	0.5
159.51749	0.4
164.04875	0.7
167.64110	0.5
169.01456	1.0
207.17566	1.1
209.19052	1.0
233.18846	0.8
245.19104	1.3
247.48817	0.5
255.17680	0.5
261.18628	1.2
263.20212	0.8
265.18015	0.9
271.17044	1.2
273.18494	3.9
279.19681	0.7
289.18127	6.3
291.19742	1.5
299.16467	4.3
305.17593	5.0
306.86368	0.6
307.15887	0.6
307.19162	2.2
315.16061	1.7
315.19443	0.6
317.17578	9.2
319.19165	0.7
323.18680	10.2
333.17004	3.3
335.18628	100.0
336.19003	2.3
351.18115	92.2
352.18765	9.0
365.19635	1.8
377.19690	4.7
393.19183	3.7
407.20801	0.6
410.61090	0.6
497.23907	9.0
513.23364	1.6
514.24200	1.6
515.25067	0.8
652.12433	0.7
659.28796	2.4
676.29535	2.8
677.30206	33.4
678.30518	1.3
719.31158	1.2
839.35510	37.9
840.35748	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	841.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.5
71.01364	1.3
71.42213	0.5
79.01890	0.5
85.02933	1.0
86.52967	0.4
95.01389	1.3
101.02422	0.6
104.72771	0.5
107.01392	3.0
111.00907	1.4
113.02445	0.6
113.42686	0.4
115.75301	0.5
123.00878	9.1
124.01662	15.3
125.02442	22.6
128.99350	0.5
137.02345	0.9
138.03159	0.5
139.00385	1.7
139.04001	4.4
140.01147	1.3
141.01953	1.1
151.00366	3.8
163.07660	0.6
167.03496	1.0
168.00655	3.7
169.01418	22.7
170.01811	0.5
177.01915	1.1
179.03535	0.7
183.02972	2.7
188.42654	0.5
194.82492	0.5
203.22623	0.5
207.06619	0.6
211.02489	0.8
225.07654	0.9
243.02762	0.5
245.98061	0.6
247.05859	4.1
285.06052	1.3
292.09470	0.6
294.29251	0.5
297.06100	1.1
313.05634	5.7
327.07254	2.0
349.32669	0.7
387.12830	1.0
394.77570	0.5
409.11340	2.7
453.10339	100.0
454.10721	4.4
835.52551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.58232	0.3
69.03445	1.2
71.01379	10.6
73.02941	6.9
75.00871	0.7
83.01388	1.6
83.05023	0.8
85.02941	3.8
85.06581	0.4
87.00880	0.6
89.02431	3.5
91.01862	0.6
95.01405	1.5
97.06568	0.4
99.00886	0.7
99.04510	0.5
101.02438	8.0
109.02978	0.8
113.02445	9.5
113.06080	5.1
119.03509	2.5
121.02949	0.5
123.08139	1.2
123.54590	0.3
125.02458	3.0
125.06068	0.4
131.03494	1.4
135.00935	0.4
135.08150	0.8
137.02470	0.5
137.06094	0.4
137.09734	4.8
137.66884	0.4
139.07658	0.7
140.41071	0.4
143.03491	1.7
149.04510	2.2
149.09627	0.5
151.04063	0.4
151.07661	0.7
151.11258	0.8
153.01904	0.5
153.09204	12.1
161.02393	0.6
161.04538	4.1
163.11275	2.6
165.09201	13.3
167.03487	1.6
169.01418	1.1
175.07629	0.9
177.01889	0.5
177.12843	0.5
179.05556	0.8
179.74452	0.3
187.11247	3.5
190.09955	0.8
193.12306	1.5
203.05582	5.3
205.12305	10.7
208.10991	1.5
221.06630	1.6
223.13373	83.1
224.13727	1.9
325.12820	2.2
369.33591	0.4
463.08319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	28.3
61.98833	13.9
69.29411	20.9
69.29799	13.0
71.01372	10.6
86.00755	6.4
87.00825	8.6
96.96011	15.6
99.92594	9.0
116.92871	81.5
125.02379	9.5
134.03307	7.4
169.01428	13.1
171.10257	18.2
201.11333	7.5
209.11832	100.0
225.11380	9.3
227.12947	14.1
235.08211	26.3
253.09251	31.7
266.51648	7.4
267.94061	7.4
278.34442	7.1
309.20505	11.9
325.20129	8.0
327.21768	78.0
340.17551	7.6
397.77820	7.7
445.20496	21.8
545.29486	17.2
563.30908	20.6
571.07300	10.0
755.42383	12.8
773.42804	9.1
841.43939	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	843.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15578	0.3
67.74044	0.2
69.03432	1.1
69.33656	1.2
79.01880	0.5
80.43490	0.2
81.03458	1.1
83.01396	0.5
95.01382	0.6
95.05027	0.5
96.96000	2.6
97.02953	1.3
105.03441	0.5
107.01399	0.5
109.02953	0.5
111.04517	0.3
121.02948	0.4
123.00890	0.9
123.04544	0.4
124.01643	1.0
125.02438	58.2
126.02754	1.5
137.02441	2.2
139.04039	1.0
145.06676	0.3
149.02481	0.7
151.03979	0.5
152.66788	0.2
153.01831	0.3
161.02428	4.1
164.01228	0.3
165.01880	1.6
166.02650	0.3
166.99808	0.4
167.03487	2.4
169.01418	100.0
170.01775	1.6
175.03964	0.8
176.50424	0.3
177.01920	2.7
177.05516	0.4
178.02376	0.3
179.03490	0.9
193.01414	1.2
201.05504	0.4
219.06618	0.9
221.04453	0.5
225.05446	0.3
229.05054	0.3
243.02959	1.1
261.03983	0.3
261.07663	0.3
269.04498	1.3
275.05603	0.3
285.04004	0.6
287.05603	1.9
303.05090	0.8
305.06659	6.4
319.04514	1.1
331.04565	1.8
339.14215	0.3
354.32501	0.3
383.00360	0.3
394.67947	0.2
423.07324	0.3
425.14398	0.4
449.59720	0.3
457.07727	17.8
458.08002	0.5
475.35345	0.3
519.17529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34720	0.2
69.03450	1.1
69.28683	0.3
69.29086	0.8
79.01891	0.3
81.03461	0.8
83.01392	0.7
85.66444	0.2
90.38268	0.2
93.03461	0.2
95.01410	0.3
95.05017	0.4
96.95998	0.9
97.02924	1.2
98.22604	0.4
98.95570	0.4
105.03461	0.7
106.35089	0.2
107.01369	0.6
109.02963	0.6
121.02949	0.3
123.00874	0.4
124.01676	0.7
125.02439	57.9
126.02747	1.2
133.02969	0.2
137.02440	1.9
138.02945	0.2
139.04012	1.1
149.02417	0.6
151.04018	0.2
161.02446	3.8
164.01157	0.5
165.01901	1.4
166.99850	0.4
167.03505	1.7
169.01411	100.0
170.01755	1.9
175.03934	0.4
177.01959	1.6
177.05530	0.7
178.02380	0.2
179.03459	1.0
180.86644	0.2
180.88255	0.2
193.01399	1.9
201.05728	0.3
204.04053	0.2
219.06493	1.0
221.04576	0.3
225.05652	0.3
225.07704	0.4
227.03496	0.3
243.02919	0.3
243.06535	0.3
261.07623	0.4
269.04584	1.3
287.05576	2.0
305.06641	6.4
319.04510	0.7
331.04440	1.5
370.09802	0.2
417.26337	0.2
457.07693	18.9
458.08163	1.2
476.01187	0.2
585.16101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82351	0.2
69.03466	1.4
70.03790	0.6
79.99396	0.2
81.03436	1.4
83.01393	0.5
95.01405	0.4
96.96021	0.8
97.02947	1.2
98.95598	0.3
105.03457	0.7
106.09227	0.3
107.01398	0.8
109.02972	0.5
111.04553	0.3
116.86272	0.3
121.00101	0.2
121.03030	0.3
123.00853	0.6
123.04529	0.3
124.01680	0.9
125.02444	59.2
126.02784	1.1
126.52230	0.3
134.59174	0.3
137.02435	1.8
137.06105	0.2
139.03972	0.8
149.02472	0.5
151.04007	0.3
159.55197	0.3
161.02435	3.7
165.01941	1.4
166.99887	0.4
167.03510	1.8
169.01421	100.0
170.01761	1.4
175.04042	0.4
177.01907	0.7
177.05562	0.5
179.03471	0.9
193.01471	1.8
205.01511	0.4
216.17590	0.3
219.06641	1.0
221.04550	0.3
225.07666	0.4
243.02994	0.4
261.07730	0.4
269.04480	0.9
282.09818	0.3
287.05606	1.7
305.06665	6.4
305.09961	0.5
319.04523	0.6
331.04602	1.5
334.24017	0.3
369.08307	0.6
387.12952	0.4
457.07751	21.2
458.08160	0.9
477.91934	0.3
640.89240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
69.03456	0.9
70.08359	0.2
74.00680	0.2
79.01884	0.3
81.03458	1.0
83.01346	0.5
95.01389	0.4
95.05016	0.2
97.02966	1.5
105.03448	0.4
107.01368	0.5
108.02074	0.2
109.02955	0.3
111.04514	0.4
113.02471	0.2
123.00900	0.5
124.01653	0.7
125.02446	54.7
126.02815	0.7
137.02454	1.8
139.04034	1.0
151.03976	0.4
151.36850	0.2
161.02423	3.6
164.01146	0.5
165.01889	1.2
166.99863	0.3
167.03513	1.7
168.00775	0.2
169.01424	100.0
170.01790	1.4
177.05585	0.6
179.03477	0.9
193.01460	1.6
202.93237	0.3
219.06627	0.8
239.05704	0.3
261.07748	0.3
269.04547	0.9
273.65860	0.2
287.05670	1.7
305.06650	4.7
306.07132	0.3
331.04596	1.2
387.16440	0.9
401.10559	0.3
457.07739	18.4
458.08069	0.9
816.57544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98825	100.0
70.25092	0.8
71.01377	0.4
101.05826	0.3
119.90767	0.3
188.08102	0.3
207.15082	0.4
242.18597	0.4
307.15790	0.3
437.36011	0.3
782.51776	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	847.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	80.7
69.03465	1.1
71.01382	16.8
73.02943	44.3
83.01386	10.4
85.02930	3.1
87.00870	0.7
89.02442	6.2
95.01387	1.5
99.00866	0.7
101.02444	31.9
107.01375	0.6
113.02443	11.0
119.03473	4.0
124.01665	0.6
125.02467	1.8
131.03535	3.8
143.03525	3.9
149.04553	7.5
151.00369	1.5
155.03506	1.3
161.04552	11.2
163.00372	0.7
164.01202	1.0
178.99910	1.0
187.04050	0.9
203.03671	0.7
203.05606	2.0
214.02718	2.2
215.03484	1.0
221.06662	3.5
231.02989	0.8
242.02283	2.3
243.02934	2.5
259.02460	4.5
270.01697	3.1
271.02463	17.8
287.01947	32.8
288.02530	1.5
315.01450	66.0
316.02203	93.9
317.02466	2.7
330.03830	7.3
331.04572	65.5
332.04840	1.8
462.08224	1.2
477.10358	100.0
478.10654	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	847.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.5
65.00321	1.3
65.36514	0.4
70.42011	0.5
79.95741	1.6
80.96534	0.6
81.03436	0.6
83.01380	2.5
93.03444	0.7
95.01413	0.5
96.96008	43.5
98.95578	1.2
107.01406	2.5
109.02960	1.6
117.75857	0.4
121.02942	1.6
123.04513	3.1
124.01656	1.5
125.02443	53.1
126.02777	0.7
128.57175	0.4
137.02426	1.4
137.06061	0.5
139.04045	1.6
139.60683	0.3
147.04442	0.6
149.02402	2.5
150.03201	1.6
151.00377	10.6
151.03981	3.2
151.69350	0.3
152.01151	4.4
153.01926	7.3
161.02466	1.0
165.01956	0.8
167.03539	0.9
169.01392	1.4
171.04532	0.7
172.05237	0.5
173.06061	0.6
174.03239	1.1
175.03995	9.2
177.01920	14.0
178.99852	9.4
180.00612	0.9
181.01410	2.5
188.04771	0.7
189.05556	2.9
191.03481	0.7
193.01379	0.4
193.05075	0.9
199.03964	4.6
201.01917	1.2
213.05530	1.0
216.04193	0.8
217.02989	0.5
217.05060	6.1
219.03009	0.6
231.06610	1.0
241.04999	4.3
243.02936	1.1
257.04529	1.2
259.06070	2.9
273.07431	0.4
275.05588	4.9
285.04025	49.1
286.04361	1.5
301.03442	2.4
301.06860	0.7
303.05078	45.6
304.05341	0.6
381.02762	1.7
382.03131	1.5
383.00732	100.0
384.01077	2.1
482.31635	0.4
666.75909	0.4
782.97656	0.4
847.36273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	0.3
69.03461	0.7
70.82245	0.2
71.01377	9.4
71.04977	0.2
71.45187	0.3
73.02944	4.6
80.94009	0.2
81.55462	0.2
83.01389	2.0
85.02950	5.3
87.00906	0.7
89.02463	0.9
92.87453	0.2
95.01383	0.7
97.02961	0.6
99.00866	1.6
101.02436	9.7
103.04013	0.9
109.02963	0.5
113.02444	4.2
119.03521	0.4
125.02447	2.7
132.03526	0.3
133.73494	0.3
137.06201	0.3
139.11267	1.6
143.03554	0.8
159.02951	1.2
161.04553	4.6
161.05847	0.4
161.32289	0.2
163.06146	2.3
167.03568	0.3
169.01466	0.7
177.01971	0.6
183.10248	7.8
205.07162	0.6
259.06104	0.3
269.10284	11.2
270.10608	0.3
289.09491	0.3
307.10361	0.9
311.11328	9.5
338.32678	0.3
367.01306	0.3
409.00076	0.2
491.21051	0.5
570.63000	0.3
847.36029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
68.19160	0.4
70.84530	0.7
71.01379	0.6
84.94121	0.4
96.96020	0.6
97.48492	0.4
104.05583	0.4
114.65976	0.5
116.92889	0.4
125.02462	0.6
138.36945	0.4
169.01453	0.6
206.43080	0.4
209.11819	0.6
211.13472	0.6
281.29712	0.4
731.33466	0.5
770.16840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.8
70.01418	0.4
71.01391	1.2
73.02949	1.1
78.30193	0.5
84.17361	0.4
93.03490	0.6
101.02471	0.6
107.05028	100.0
108.05354	1.1
109.02979	0.5
114.52200	0.5
119.05037	0.5
121.02991	0.9
123.00867	0.7
123.04512	1.1
124.01642	1.2
125.02415	0.9
136.01662	1.0
137.02457	1.2
138.03276	0.8
139.03995	0.8
145.02979	0.7
149.02440	2.1
151.03961	0.7
161.02444	0.8
162.03123	0.6
163.04050	0.4
164.01152	4.6
165.01932	2.5
166.99858	1.3
168.00690	0.7
169.01506	0.6
173.02519	0.4
178.99875	1.2
179.03528	0.5
183.02946	1.6
189.01871	0.7
190.02716	1.3
191.03558	0.8
192.00639	68.0
193.01404	43.9
194.02162	1.6
203.05621	1.1
205.01476	1.1
206.02225	1.5
207.02980	17.9
210.01694	0.8
221.00854	1.1
222.01683	1.3
225.03999	1.9
234.01736	4.5
235.02501	2.8
249.04123	1.8
294.04065	0.5
309.05920	0.6
311.11313	3.8
325.25742	0.5
342.81134	0.6
396.45459	0.4
452.14127	0.5
478.07489	1.7
493.09866	95.7
494.10080	3.2
587.81055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.3
65.54056	0.4
71.01373	1.4
73.02940	1.6
83.01382	0.7
85.02946	0.5
86.14456	0.3
93.03446	0.6
95.01372	0.4
99.00898	0.3
101.02442	0.8
107.05025	95.8
108.02163	0.7
108.05360	1.2
111.00820	0.5
113.02444	0.6
119.15684	0.3
121.02951	1.2
123.00877	0.8
124.01632	1.1
125.02445	1.3
133.02971	0.5
136.01630	0.7
137.02428	1.8
139.00323	0.6
139.03993	0.7
145.02931	0.5
148.01682	0.4
149.02422	1.9
150.03247	0.5
151.03943	0.4
151.11470	0.4
161.02390	1.0
161.04538	0.4
162.03168	0.5
163.03926	0.9
164.01160	4.4
165.01918	3.2
166.02663	0.7
166.99860	1.1
168.00700	1.3
169.01370	0.5
173.42090	0.4
177.01915	0.8
178.99829	1.1
179.03452	0.5
183.02975	1.7
190.02684	1.1
191.03458	0.7
192.00638	69.0
193.01404	40.9
194.02086	2.0
203.05563	2.0
205.01405	1.5
206.02139	1.5
207.02962	19.5
210.01707	1.7
221.00845	0.7
222.01694	1.4
225.03992	1.7
233.00864	0.4
234.01668	3.7
235.02457	3.9
249.04005	1.2
311.11307	4.8
407.28564	0.4
478.07675	1.4
478.52133	0.5
493.09851	100.0
494.09991	2.9
517.74048	0.4
849.44891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01702	0.6
69.36961	1.2
69.37372	2.0
71.01378	8.1
73.02935	3.4
80.40479	0.7
83.01383	1.5
85.02933	4.4
89.02455	1.0
91.84290	0.6
95.01392	1.1
96.96027	0.8
99.00900	1.5
99.04514	0.7
101.02431	5.4
113.02467	4.5
116.10341	0.6
118.18713	0.6
125.02496	1.3
142.06630	0.7
150.03319	1.2
151.04103	0.7
161.04564	3.8
165.01894	0.7
165.05614	1.8
169.03386	0.7
192.00632	1.6
195.06685	1.3
203.05707	0.7
207.03107	0.6
227.03510	13.4
227.05617	1.0
229.05133	2.8
249.06593	0.6
255.02975	19.3
255.05634	1.0
256.03751	1.6
257.04590	1.2
271.52512	0.6
284.03268	24.0
285.04047	26.7
286.04141	0.9
304.35825	0.6
331.17648	8.1
373.18695	8.2
417.22504	0.7
431.09827	48.2
432.10321	2.4
440.45523	0.8
522.72418	0.7
526.75714	0.7
585.23523	0.8
625.61792	0.8
790.34351	0.8
805.36469	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	849.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	31.0
71.01388	14.2
72.42719	1.6
72.99303	5.1
73.02928	4.4
75.00884	13.0
80.18848	1.6
85.02960	14.0
85.51997	1.8
87.00860	6.8
89.02446	2.3
95.01385	4.3
96.96012	2.1
97.84562	1.6
99.00871	8.9
101.02441	2.3
113.02448	14.4
115.00349	6.5
117.01978	2.0
119.94393	1.7
121.02922	2.9
125.02438	5.3
139.11264	17.9
162.03160	2.2
169.01384	5.7
171.10199	2.9
175.02458	12.2
181.12340	7.6
183.10281	15.8
209.11798	6.5
225.11314	7.3
243.12303	4.0
267.06610	2.2
269.08136	2.6
281.07904	2.4
283.09677	3.8
295.06329	2.2
311.09326	3.9
323.09180	2.4
325.10724	2.0
325.22778	2.0
329.10092	2.5
343.11838	7.6
355.11743	4.7
731.35175	2.5
804.11987	2.4
805.35211	2.1
819.30457	7.3
831.30920	3.8
849.31732	100.0
850.31952	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	849.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	31.0
71.01388	14.2
72.42719	1.6
72.99303	5.1
73.02928	4.4
75.00884	13.0
80.18848	1.6
85.02960	14.0
85.51997	1.8
87.00860	6.8
89.02446	2.3
95.01385	4.3
96.96012	2.1
97.84562	1.6
99.00871	8.9
101.02441	2.3
113.02448	14.4
115.00349	6.5
117.01978	2.0
119.94393	1.7
121.02922	2.9
125.02438	5.3
139.11264	17.9
162.03160	2.2
169.01384	5.7
171.10199	2.9
175.02458	12.2
181.12340	7.6
183.10281	15.8
209.11798	6.5
225.11314	7.3
243.12303	4.0
267.06610	2.2
269.08136	2.6
281.07904	2.4
283.09677	3.8
295.06329	2.2
311.09326	3.9
323.09180	2.4
325.10724	2.0
325.22778	2.0
329.10092	2.5
343.11838	7.6
355.11743	4.7
731.35175	2.5
804.11987	2.4
805.35211	2.1
819.30457	7.3
831.30920	3.8
849.31732	100.0
850.31952	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	850.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98829	100.0
65.34520	0.2
66.50451	0.2
70.72240	0.4
71.01382	0.4
80.96536	0.2
101.02433	0.2
122.17781	0.2
156.28674	0.2
209.11867	0.5
225.11365	0.3
409.49600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44317	0.2
78.90616	0.2
88.98820	0.2
95.01369	0.4
96.95993	0.3
103.68346	0.2
104.92798	0.4
105.38794	0.2
120.14993	0.2
123.00876	1.7
123.25211	0.3
124.01702	0.5
151.00372	0.4
152.01129	0.4
165.01833	0.2
167.14395	0.9
179.95087	0.3
207.94595	1.7
208.95331	0.3
220.95419	0.6
221.96228	0.3
223.13353	0.6
223.94150	0.5
235.13326	0.2
237.14966	1.1
245.96083	0.3
247.94286	1.0
248.94945	0.7
258.96756	0.3
265.14438	3.2
272.98367	0.2
277.01840	0.2
293.08362	0.6
302.95947	0.6
305.08163	0.2
316.97339	0.3
318.05582	0.7
319.06180	0.4
320.07086	0.6
321.07913	8.2
321.11722	0.4
322.08069	0.2
330.95508	1.1
331.06171	0.4
331.96188	0.4
333.07941	1.5
334.05060	0.3
335.05893	0.2
337.07541	1.4
344.96893	1.3
345.08087	0.4
346.08621	0.9
352.06006	0.6
358.08722	0.4
361.07407	7.8
362.07590	0.6
421.03549	0.2
443.08044	0.5
444.08701	0.9
457.09738	0.4
472.08102	0.5
485.23648	0.7
487.21454	1.0
529.22455	0.7
556.22015	0.3
557.22040	19.3
558.22351	1.3
584.21790	1.0
585.21533	100.0
586.21814	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	855.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10942	0.6
69.11353	2.0
71.01362	0.9
71.04063	0.4
73.02943	0.5
74.93681	0.4
83.01389	0.9
89.02424	0.6
95.01415	0.5
101.02419	0.4
108.02157	1.1
111.50948	0.5
113.02439	0.5
122.03757	1.0
123.00871	1.5
124.01650	2.8
125.02448	6.6
136.01677	0.7
137.02444	1.2
138.03149	0.7
152.01164	2.2
153.01926	0.9
165.41724	0.4
166.02657	0.9
167.03499	1.1
169.01465	3.3
177.01964	1.6
237.14952	7.9
243.02991	0.6
253.14441	7.7
263.12915	0.6
265.14444	50.0
266.14838	1.0
267.16147	0.7
279.16092	0.9
281.13931	100.0
282.14648	11.0
283.15472	5.3
285.03979	0.8
295.15424	3.3
305.06689	0.7
323.15027	1.6
415.60699	0.4
427.19577	2.9
443.19208	1.7
444.19879	2.9
445.20636	2.4
464.71463	0.4
485.20370	1.8
486.21149	1.4
487.21649	2.4
606.25159	0.5
607.26050	10.7
608.26166	0.7
648.26227	6.5
649.27063	21.7
650.27209	0.9
811.32422	16.1
812.32770	1.3
855.34418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.3
83.01402	2.4
95.01349	1.1
96.96029	1.2
97.02953	1.2
98.21803	2.9
107.06065	1.2
108.02160	5.4
109.02970	2.3
110.68371	1.0
121.02964	2.4
122.03728	2.0
123.00860	2.9
123.04551	2.5
124.01651	17.0
125.02454	8.8
134.03773	1.9
136.01639	2.2
137.02415	2.1
139.00366	6.8
150.03239	1.9
152.01134	2.2
153.01924	3.9
161.02431	1.4
165.01831	1.4
167.03531	1.3
169.01370	2.8
177.01836	2.9
192.00664	3.7
193.01363	4.4
229.15671	1.3
249.14952	1.6
268.60773	1.2
285.04056	3.0
289.18005	2.1
297.14749	1.4
303.04922	2.7
303.16095	1.9
305.17456	2.4
307.19168	1.9
315.16144	2.7
321.17007	4.1
333.17007	20.9
339.18088	7.0
349.16617	7.9
350.17194	1.9
351.18088	100.0
352.18616	5.6
367.17560	83.3
368.18143	11.1
375.16864	3.3
383.00803	3.6
393.19025	3.3
409.18552	3.2
461.16943	1.5
479.08182	7.2
480.08206	1.9
481.08920	2.9
513.23291	6.8
675.28699	5.3
693.29700	34.4
694.30157	2.6
712.89264	1.3
855.34998	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.3
83.01402	2.4
95.01349	1.1
96.96029	1.2
97.02953	1.2
98.21803	2.9
107.06065	1.2
108.02160	5.4
109.02970	2.3
110.68371	1.0
121.02964	2.4
122.03728	2.0
123.00860	2.9
123.04551	2.5
124.01651	17.0
125.02454	8.8
134.03773	1.9
136.01639	2.2
137.02415	2.1
139.00366	6.8
150.03239	1.9
152.01134	2.2
153.01924	3.9
161.02431	1.4
165.01831	1.4
167.03531	1.3
169.01370	2.8
177.01836	2.9
192.00664	3.7
193.01363	4.4
229.15671	1.3
249.14952	1.6
268.60773	1.2
285.04056	3.0
289.18005	2.1
297.14749	1.4
303.04922	2.7
303.16095	1.9
305.17456	2.4
307.19168	1.9
315.16144	2.7
321.17007	4.1
333.17007	20.9
339.18088	7.0
349.16617	7.9
350.17194	1.9
351.18088	100.0
352.18616	5.6
367.17560	83.3
368.18143	11.1
375.16864	3.3
383.00803	3.6
393.19025	3.3
409.18552	3.2
461.16943	1.5
479.08182	7.2
480.08206	1.9
481.08920	2.9
513.23291	6.8
675.28699	5.3
693.29700	34.4
694.30157	2.6
712.89264	1.3
855.34998	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06758	1.5
66.66378	1.2
69.33865	4.9
69.34279	2.9
71.01379	4.7
72.47723	1.5
81.03412	2.1
83.01373	3.6
83.01843	1.3
89.02438	3.3
90.91423	1.3
94.58804	1.6
99.03125	1.4
105.03440	2.7
109.02967	3.0
111.00889	2.8
122.03756	2.1
123.00851	3.1
123.04515	2.7
124.01666	10.1
125.02443	54.1
126.02779	2.0
137.02448	6.6
138.03227	4.0
139.00377	6.8
150.03230	8.1
152.01064	3.8
161.02449	23.4
164.04761	3.1
167.03482	5.9
169.01384	3.8
170.16406	1.5
173.85606	1.5
177.01912	1.6
177.05472	3.4
178.06348	4.2
203.45934	1.5
261.18512	4.4
263.16443	6.4
269.04526	3.4
271.17007	6.5
273.14944	2.2
277.18094	6.5
279.16107	6.7
287.05655	22.9
287.16425	3.6
289.14633	1.7
289.18069	34.1
291.16025	83.2
292.16534	4.7
293.17798	1.9
305.17554	32.4
306.18155	4.6
307.15509	58.3
307.19019	1.9
308.16333	8.9
309.16949	3.8
315.16055	6.5
321.16943	3.2
333.17044	22.8
349.16507	9.5
351.18121	98.5
352.18640	3.7
357.17038	2.1
367.17587	77.4
368.18317	16.9
391.17957	2.0
393.19382	3.1
409.18710	2.5
455.09674	4.5
513.23340	10.1
539.70569	1.7
552.33533	1.6
633.27893	3.6
675.28815	4.2
677.88159	1.6
693.29700	58.4
694.29565	3.6
855.35046	100.0
856.35419	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	857.178
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32748	0.3
67.01894	0.5
68.21270	0.4
69.03448	4.4
69.16190	0.6
69.16593	1.5
71.01382	4.5
73.02952	0.5
73.87485	0.3
79.01874	2.1
81.03461	2.3
83.01396	1.9
83.05078	0.4
85.02950	0.6
89.02434	3.1
93.03468	0.6
95.01402	1.0
95.05041	1.2
96.95991	0.4
97.02949	4.8
98.22722	0.7
101.02442	2.4
107.01392	6.4
108.02150	0.5
109.02951	9.5
113.02473	1.1
119.03505	1.3
121.02972	1.2
121.06669	0.3
122.03718	0.7
123.00896	2.0
123.04539	4.3
124.01666	3.8
125.02444	72.0
126.02750	0.5
133.06606	1.4
135.00882	14.7
135.04509	1.1
137.02454	7.0
139.00397	0.6
139.03998	0.7
139.07637	1.1
140.01178	0.4
145.02948	2.6
146.03761	0.8
149.02435	2.2
150.03123	0.4
151.04016	4.7
153.01886	0.8
159.04514	1.8
160.05307	0.5
161.02440	0.7
161.06055	2.2
162.03241	0.6
163.04021	0.7
164.01108	1.0
165.01923	2.0
166.02721	0.6
166.99829	1.2
167.03494	19.1
168.00574	1.5
169.01419	100.0
170.01741	1.1
175.03986	0.8
175.07587	0.6
179.03528	2.7
183.04532	0.4
185.06024	0.8
187.03935	1.7
188.04814	1.2
193.01392	3.3
201.05573	0.4
202.06377	0.7
203.07126	5.0
205.01398	0.4
205.05058	3.4
211.04085	0.5
221.08167	0.9
227.07100	0.9
230.05919	0.4
231.03015	0.5
245.04367	0.4
245.08173	7.8
247.06129	0.4
253.05093	0.9
259.06104	1.0
271.06110	5.1
287.05701	0.5
289.07162	39.2
290.07428	1.1
303.05045	2.3
330.13260	2.1
331.04492	2.1
331.13889	1.2
371.09695	1.3
397.09274	0.7
415.16068	0.7
441.08142	59.9
441.17554	21.7
442.08774	1.8
442.18201	0.6
561.09363	0.3
893.56268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90976	85.9
71.43344	79.4
78.63159	75.2
85.00423	81.9
91.84783	75.3
116.92831	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	859.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99272	0.2
69.03448	1.0
71.01379	0.2
81.03455	1.2
83.01389	0.7
88.98804	1.8
95.01386	0.3
95.05043	0.3
97.02937	1.0
97.30364	0.2
105.03474	0.6
107.01379	0.6
109.02943	0.6
111.00878	0.2
111.04536	0.2
120.34222	0.2
123.00872	0.6
124.01688	0.7
125.02444	54.0
126.02789	0.6
133.02853	0.2
137.02446	1.8
139.03990	1.1
149.02429	0.3
151.04022	0.5
161.02438	4.2
164.01149	0.3
165.01950	1.1
166.99913	0.4
167.03438	1.4
169.01425	100.0
170.01808	1.3
175.04024	0.3
177.01944	0.4
177.05557	0.5
179.03503	0.8
182.22189	0.2
191.03531	0.4
193.01445	1.7
201.05740	0.3
219.06709	0.7
221.04520	0.3
229.01352	0.2
249.06123	0.2
261.07742	0.3
269.04477	1.0
272.88507	0.2
287.05618	1.8
305.06647	5.4
319.04654	0.4
331.04645	1.7
351.02859	0.2
401.10806	0.9
447.09918	0.2
457.07739	16.6
458.08148	0.9
531.92871	0.3
546.25677	0.2
636.39655	0.2
642.90881	0.2
719.41479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85170	0.6
60.59772	0.7
69.36465	0.7
69.36774	4.0
71.01382	11.6
72.99304	0.7
73.02937	4.6
73.23646	0.7
79.85905	0.8
83.01385	2.5
85.02944	5.8
87.00854	1.1
89.02438	5.2
95.01381	1.6
99.00903	1.0
101.02445	8.6
105.62110	0.8
113.02448	5.3
119.03478	2.5
121.02940	1.2
122.03726	0.9
125.02432	2.9
131.03522	1.0
136.87909	0.8
147.08138	1.3
149.02452	0.9
149.09738	5.0
150.03218	1.1
151.03990	1.0
151.23064	0.8
161.09682	2.0
163.07695	1.8
165.01846	0.8
165.05536	2.5
165.09206	44.5
166.09590	1.6
173.09700	0.7
177.01904	1.8
189.09192	6.2
191.10815	2.1
195.06622	3.0
207.10271	4.6
215.10683	2.3
219.10155	1.0
243.10135	1.2
249.11415	0.9
249.14919	1.8
265.14389	3.1
291.12357	1.2
309.13412	38.3
313.99341	0.8
323.93948	0.9
327.14468	48.3
328.14780	2.5
369.15521	100.0
370.15762	4.0
375.24811	0.8
447.22388	0.9
761.16364	0.9
795.01862	1.0
861.38049	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	863.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	0.7
63.17575	0.4
65.00320	2.4
68.02910	0.4
70.62437	0.4
79.95747	0.6
80.96529	1.2
81.03460	0.5
83.01373	4.2
87.64262	0.5
93.03487	0.5
95.01391	0.8
96.96008	16.9
98.21797	1.0
98.95578	0.4
107.01376	2.8
108.02197	0.7
109.02955	2.9
121.02950	1.5
123.00919	0.7
123.04538	3.4
123.21581	0.4
124.01643	2.0
125.02443	82.1
126.02789	0.9
137.02467	2.1
139.04018	2.0
147.04515	0.8
149.02432	3.9
150.03210	2.3
150.99142	0.9
151.00365	14.0
151.03990	5.1
152.01152	6.3
153.01932	11.8
153.03104	0.9
161.02452	1.3
165.01984	0.5
166.02681	0.5
169.01335	1.1
171.04578	0.6
173.06041	1.2
174.03165	2.1
175.03995	14.9
176.01224	0.6
176.04404	0.5
177.01924	19.8
178.02263	0.8
178.99854	11.9
180.00555	1.0
181.01494	3.5
188.04849	1.2
189.05566	3.3
191.03522	0.8
193.01443	1.0
193.05013	1.8
197.06198	0.6
199.03999	8.5
199.05708	0.8
201.01913	2.0
213.05569	1.7
215.03558	0.5
216.04289	1.6
217.05048	9.7
219.02977	0.8
231.06635	1.8
241.05045	7.9
243.03021	1.6
257.04520	1.4
259.06122	5.0
274.41339	0.5
275.05585	6.6
275.08356	0.8
285.04031	74.8
286.04410	2.5
301.03604	3.3
303.05078	65.5
304.05411	2.3
318.17673	0.5
381.02765	0.5
383.00748	100.0
384.00989	3.6
408.34192	0.4
620.42157	0.5
760.61530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25769	0.7
69.03461	1.0
71.01376	17.3
73.02937	3.0
76.96927	0.8
78.95898	0.8
80.02676	1.1
81.03449	2.2
83.01382	1.9
83.05032	5.7
84.02132	0.9
85.02943	3.2
87.00883	3.6
89.02446	14.0
95.01385	2.1
95.05013	1.0
97.02945	2.4
99.00893	0.8
101.02442	11.2
111.04494	0.9
113.02421	6.0
119.03515	3.7
125.02455	6.3
127.00095	0.7
135.08141	0.8
143.03508	2.4
155.49518	0.7
161.04523	2.9
161.09599	0.7
163.11269	4.3
165.12836	2.6
179.05597	2.8
191.10777	0.8
209.11819	100.0
210.12096	2.3
221.06595	1.6
227.12885	13.5
235.08182	5.6
255.23282	55.3
256.23563	1.6
287.07693	2.7
305.08856	1.4
361.11545	0.7
379.12439	9.4
397.13480	44.2
398.13754	1.5
415.14526	7.8
500.22067	0.7
589.25116	1.2
607.26196	1.7
653.37482	2.2
863.50653	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	864.532
Annotation	Unknow
Peak:m/z	Relative Intensity
80.47149	85.4
98.95023	82.5
142.38316	82.7
169.75119	94.4
307.37650	90.6
392.25009	92.2
809.52283	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	865.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81207	0.3
70.80084	0.4
71.01394	0.5
73.02934	0.6
81.03444	0.4
88.38860	0.3
89.67552	0.3
93.03429	0.6
101.02438	0.9
104.04655	0.4
107.01373	1.1
109.02965	0.5
111.00874	0.6
117.03515	0.4
119.05035	0.6
121.02965	1.1
123.00887	2.5
124.01656	4.1
125.02451	6.7
129.60124	0.3
136.01622	0.5
137.02426	1.5
138.03258	0.8
139.00363	0.4
139.04015	0.8
140.01141	0.7
141.01950	0.4
145.02991	0.4
149.02428	2.5
151.00391	0.9
151.03966	0.9
153.01950	0.8
161.02379	1.1
162.03180	0.8
163.04048	0.6
164.01154	2.9
165.01910	3.8
166.02672	1.1
167.03468	0.5
168.00644	2.6
169.01430	6.5
173.02417	0.6
177.01949	1.2
178.02747	0.5
178.99783	0.6
179.03508	0.7
183.03018	0.7
189.01967	0.8
190.02689	2.0
191.03520	0.8
192.00644	29.7
193.01405	42.5
194.02141	3.0
195.02936	0.4
205.01343	1.7
205.04955	0.4
206.02159	1.0
207.02979	9.1
211.02467	7.4
221.00900	1.3
222.01746	1.4
223.02527	0.4
225.04089	0.6
231.41495	0.4
234.01651	4.7
235.02440	4.1
237.04018	0.8
240.22780	0.4
241.03729	0.4
249.03981	1.8
271.04596	1.7
273.82629	0.4
294.03519	0.4
295.04568	0.4
312.04868	2.8
313.05634	3.2
327.07288	2.1
341.12320	1.4
423.22321	1.1
452.78653	0.4
464.06207	0.7
468.55807	0.4
479.08295	100.0
480.08768	3.9
481.08975	0.4
636.25000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.0
69.14568	3.2
70.11671	0.5
71.01385	8.1
72.99310	0.7
73.02946	1.1
75.00874	1.2
75.59559	0.5
80.02656	1.1
81.03444	1.5
83.01404	0.9
83.05034	4.5
84.02161	1.1
85.02933	1.3
87.00880	1.7
89.02445	6.5
95.01395	0.8
95.05025	0.9
95.40073	0.5
96.96011	0.7
97.02943	1.6
99.00870	1.0
101.02441	4.8
109.06529	0.6
111.00897	1.0
113.02453	3.2
119.03489	1.5
125.02457	3.4
126.90505	0.6
129.01947	1.9
133.53323	0.5
134.04718	0.5
135.03018	1.3
138.66670	0.5
140.35736	0.5
143.03461	1.3
161.04578	1.8
163.11285	3.5
165.12862	2.1
169.01422	0.7
169.12222	1.0
171.10298	1.5
175.02567	0.7
179.05682	2.6
181.12314	0.8
191.10785	0.9
199.13235	0.8
209.11826	100.0
210.12158	1.5
211.13370	1.5
225.11314	0.9
227.10616	0.9
227.12878	18.1
235.08243	2.0
243.99979	0.5
287.07675	1.2
306.07373	0.5
379.12476	3.6
397.13486	19.9
415.14435	4.5
589.25085	2.3
607.26044	3.4
632.38666	0.6
866.35773	0.6
880.53217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	12.1
69.18803	0.2
70.80091	0.4
71.01379	0.7
71.44792	0.2
79.01884	5.1
81.03478	1.3
83.01408	0.3
83.05032	2.0
85.02969	0.3
89.02454	0.5
95.01336	0.6
96.96012	2.5
97.02943	7.6
101.02457	0.9
107.01386	17.7
113.02438	0.6
121.22691	0.3
123.00905	1.2
125.02444	14.6
125.07162	0.2
126.02767	0.3
135.00882	60.9
136.01215	0.8
137.02386	0.4
141.00288	0.2
151.00369	1.1
152.01149	0.6
166.02704	3.2
167.03491	100.0
168.03850	1.5
169.01378	0.5
177.01964	0.3
182.02191	0.7
197.04529	0.4
203.05580	0.3
209.04495	1.5
224.17632	0.4
225.16051	1.6
228.90663	0.3
235.09883	0.3
251.05583	0.4
253.10825	0.9
271.02518	0.3
311.07666	0.5
316.02179	0.9
317.02731	0.4
367.27225	0.3
371.09790	5.9
403.15820	0.3
415.16284	4.0
433.31821	0.8
441.17542	0.6
451.32870	21.7
452.33173	0.8
463.08829	1.8
739.37671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07034	2.1
69.07435	3.0
71.01382	11.1
73.02943	31.3
73.03363	1.5
81.03452	0.8
83.01389	8.2
85.02934	2.4
86.94791	0.7
87.00874	0.8
89.02441	5.3
93.03450	3.9
98.22597	1.5
99.00884	0.9
101.02433	15.1
105.03457	2.2
108.02152	1.0
108.60515	0.9
109.02947	39.9
113.02454	3.8
118.02975	0.7
119.03541	1.2
124.01740	0.8
125.02443	41.5
126.02789	1.0
137.02461	3.4
149.02446	0.9
153.01932	90.9
154.02318	1.3
161.02417	12.1
161.04550	1.7
162.05600	7.7
165.01932	2.2
167.03482	2.2
169.01408	2.4
175.10788	0.7
177.01920	2.1
177.05591	0.9
179.03464	1.1
180.06662	2.4
190.93416	0.8
193.01292	1.2
195.76707	0.7
197.19012	0.6
198.04846	0.8
201.05608	0.9
219.06535	1.4
239.21274	0.8
243.38724	0.7
269.04492	2.1
287.05603	10.0
305.06689	8.4
324.10864	2.8
342.11896	6.1
384.12970	100.0
385.13269	2.6
438.13593	0.7
441.08142	12.6
442.08698	1.0
459.71909	0.8
479.08450	1.6
480.08325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48620	0.7
69.49016	0.7
73.02952	0.5
81.66840	0.4
83.01410	1.0
93.03447	0.8
96.96014	4.2
98.21902	0.5
105.03471	0.6
107.01386	1.2
125.02448	13.7
133.02942	0.5
135.00909	0.8
135.20705	0.4
137.02454	3.6
151.00366	1.1
151.03793	0.4
153.01968	0.6
161.02443	5.5
163.00334	1.4
166.02687	0.6
167.05006	0.5
183.04614	0.7
183.71008	0.4
185.06065	0.9
187.03987	1.2
195.04561	0.6
199.03947	0.6
201.11331	2.1
201.86386	0.4
209.11813	2.4
211.04018	1.5
213.05620	1.2
218.89587	0.4
227.03490	31.4
228.03967	0.9
229.05032	4.6
235.62997	0.4
239.03479	0.9
240.04218	0.5
241.05148	0.7
253.07066	0.5
255.02975	43.1
256.03760	4.1
257.04495	2.9
269.04535	1.8
284.03259	50.3
285.04028	51.4
286.04285	1.1
287.05725	2.5
287.08459	0.4
307.02237	0.5
315.25140	0.5
397.13287	0.6
431.09805	100.0
432.10165	2.9
439.10733	1.5
453.08621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	51.2
65.04115	27.3
69.69099	100.0
81.03445	31.6
85.00454	25.2
96.96008	99.4
96.98566	29.0
98.16943	29.7
127.44582	26.8
168.02768	29.7
209.11746	51.5
277.21915	37.8
309.20755	50.9
339.60922	28.7
347.24985	29.2
352.08499	28.3
473.69803	29.6
714.31958	31.4
871.46173	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	1.2
74.16578	0.4
83.01382	0.7
107.01373	1.7
108.02171	1.2
109.02947	13.6
121.02923	2.5
123.04504	1.2
125.02429	3.2
131.54848	0.3
137.02452	1.6
141.01918	0.4
145.02922	0.7
148.01706	0.5
149.02370	0.9
151.00371	9.3
151.03961	1.1
152.01080	0.6
153.01929	21.7
161.06004	0.4
163.00330	2.3
164.01050	0.6
165.01936	0.6
175.03896	0.4
176.82796	0.4
178.99869	4.6
179.03398	0.4
183.04523	0.5
185.06100	0.6
187.03984	1.3
190.99821	0.5
199.03920	0.4
201.05563	0.6
203.07129	1.4
205.05061	0.8
211.03964	1.0
216.38387	0.4
220.07109	0.3
226.02560	0.7
227.03487	1.6
229.04988	0.9
243.02922	4.5
245.04539	1.3
245.08177	2.0
254.02126	0.8
255.02994	15.3
256.03442	0.7
259.02371	0.6
271.02484	27.0
271.05890	2.5
272.03021	1.3
273.04019	1.0
283.02353	1.1
287.02036	2.8
287.05090	0.5
289.07190	13.6
300.02734	53.8
301.03516	41.4
302.03918	0.6
315.01462	5.0
316.02225	8.5
331.04630	7.2
381.76221	0.4
425.08820	10.0
447.09308	100.0
448.09723	2.5
477.10394	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	873.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.6
69.57659	0.7
69.69911	2.8
71.01379	42.7
73.02944	100.0
75.00893	1.1
81.03440	0.7
83.01386	27.8
85.02946	9.2
87.00862	1.6
89.02446	17.1
95.01380	3.5
95.75893	0.7
96.96024	1.3
97.02946	2.2
99.00854	0.8
101.02443	86.8
109.02931	1.0
113.02446	33.7
113.03246	1.7
119.03496	12.7
121.06528	1.1
125.02444	8.1
131.03497	10.2
137.09727	8.7
139.04025	0.8
142.64548	0.8
143.03479	10.5
149.02692	0.9
149.04564	21.7
149.09659	0.7
155.03502	2.1
161.04559	40.8
165.01921	1.1
167.03484	1.6
169.01419	2.6
177.01947	4.3
180.04298	1.2
189.12819	3.2
191.05605	1.0
203.05591	6.4
221.04457	1.0
221.06641	18.8
225.07692	1.9
265.18347	0.8
411.20139	5.0
445.07553	0.8
449.29187	0.8
482.57217	0.8
483.12646	1.9
535.13782	1.0
629.39862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35166	1.8
71.01389	1.7
71.74879	0.3
73.02950	1.1
78.95888	0.6
83.01393	0.4
85.02947	1.1
93.03465	0.6
98.21817	0.6
99.00885	0.5
99.04513	8.1
101.02448	2.2
108.02142	1.9
109.02953	5.0
109.04991	0.4
109.14379	0.4
113.02411	0.9
121.02970	1.1
123.04533	0.9
124.01644	0.5
125.02453	4.6
130.24570	0.3
133.02997	0.5
137.02448	1.6
143.03525	0.6
145.03000	0.7
149.02438	2.1
151.03983	1.7
152.01140	3.0
152.99600	1.2
153.01932	5.8
161.02432	1.1
161.04576	0.4
162.03166	1.0
163.04132	0.5
164.01155	2.8
165.01923	3.2
166.02646	0.9
167.03476	1.1
177.01964	1.0
178.02734	0.8
178.99750	0.6
179.03481	0.6
190.02740	1.5
191.03481	0.6
192.00639	40.0
193.01410	47.1
194.02156	3.1
195.02971	8.9
196.03377	0.5
205.01454	0.9
205.17911	0.3
206.02240	1.3
207.02980	10.9
209.52742	0.3
221.00920	1.2
222.01688	1.2
234.01704	4.6
235.02477	4.7
249.04100	2.1
255.05116	2.2
269.10181	1.9
294.04044	0.5
311.11356	1.7
312.04721	2.0
313.05624	0.9
327.07202	1.4
351.14352	0.6
374.68289	0.4
413.14584	8.1
448.06293	1.0
463.08820	100.0
464.09213	2.2
492.83719	0.5
592.67944	0.4
700.15656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29057	0.3
69.37548	1.6
71.01402	0.3
78.64610	0.3
85.02963	0.4
91.01892	4.3
93.03458	0.4
98.21887	0.8
99.04508	1.5
100.04860	0.3
100.95516	0.3
101.02429	0.9
108.02165	1.4
109.02967	5.3
111.00896	0.4
111.69071	0.3
119.05077	0.3
121.02954	1.3
122.60035	0.4
123.00893	0.5
123.04517	1.0
124.01645	1.0
125.02452	1.7
133.02933	0.4
135.00891	4.4
135.04478	0.4
136.01593	0.9
137.02435	1.8
138.03223	0.5
148.01692	0.5
148.25902	0.3
149.02448	2.2
150.03166	0.3
151.00398	0.5
151.03973	1.6
152.01140	2.5
153.01939	6.4
161.02446	1.5
162.03183	0.9
164.01134	2.6
165.01929	3.0
166.02652	1.2
167.03508	11.9
168.03790	0.4
169.01445	0.5
177.01897	1.2
178.02757	0.6
178.99893	0.9
179.03569	0.3
180.00703	0.3
189.01933	0.6
190.02705	1.4
191.03413	0.6
192.00645	43.0
193.01410	53.8
194.01926	4.9
195.03009	9.1
196.03325	0.5
205.01334	1.7
206.02167	1.2
207.02975	11.8
208.03227	0.8
211.02631	0.3
215.88992	0.4
219.03134	0.3
219.99979	0.3
221.01018	0.7
222.01674	1.3
223.02431	0.5
234.01709	4.8
235.02451	5.3
236.02669	0.5
237.03856	0.5
249.04054	2.3
255.05186	2.0
312.04968	1.6
313.05502	0.9
327.07181	1.2
371.09729	2.1
413.14569	0.5
414.14590	0.7
415.14874	0.4
415.19772	0.5
432.64981	0.4
448.06454	0.9
463.08813	100.0
464.09171	13.3
464.14227	0.2
465.09384	5.8
735.69366	0.4
744.38116	0.4
752.41547	0.4
826.68616	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	879.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00290	0.5
69.03449	3.8
69.32388	1.0
71.01372	0.6
82.07887	0.3
83.01402	0.4
84.94501	0.3
89.02424	0.3
91.73403	0.3
96.95992	0.6
97.02952	2.2
101.02432	0.6
107.01386	5.2
108.02125	0.4
109.02950	2.0
121.02947	0.3
123.00842	0.4
124.01678	0.6
125.02444	4.2
126.02765	0.4
134.86736	0.3
135.00885	16.6
137.02437	1.6
149.02463	0.3
151.00374	5.0
152.01131	0.6
153.01926	0.9
161.02452	0.7
163.00337	0.9
164.01123	0.9
166.02744	0.5
167.03491	27.2
167.81354	0.3
169.01439	1.2
173.51419	0.3
174.27164	0.3
174.51137	0.3
176.31245	0.3
178.99857	3.5
190.02696	0.7
192.00656	2.8
193.01395	2.5
204.04207	0.5
206.02153	0.8
207.02971	2.1
209.04436	0.4
214.02663	2.0
226.02632	0.3
227.03531	0.4
234.01599	1.8
242.02240	2.7
243.03011	1.9
249.04034	1.3
253.10857	0.5
255.02962	2.6
259.02527	1.9
270.01767	2.0
271.02472	21.4
272.02802	0.6
283.09570	1.8
287.01968	6.9
288.02744	0.6
299.02029	0.4
300.02728	13.4
301.03546	6.1
309.06186	3.6
311.07605	0.5
316.02206	49.9
317.02972	9.5
371.09827	1.4
379.71414	0.4
415.16302	0.8
441.17911	0.4
463.08817	100.0
464.09164	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	879.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30996	4.9
69.31383	2.3
71.01379	66.9
72.02557	1.7
73.02944	29.6
75.00882	1.6
82.36996	1.8
83.01385	14.8
85.02946	38.8
87.00915	1.6
89.02454	5.0
95.01392	3.9
97.02943	1.6
99.00878	10.7
101.02441	57.9
108.24976	1.6
109.02956	3.4
113.02456	31.7
115.59388	1.5
121.02971	7.4
122.03741	6.9
125.02472	2.1
143.03502	2.6
147.04538	3.2
159.03021	6.2
161.04549	37.8
165.05576	11.6
171.10193	1.7
179.07152	4.7
181.67476	1.9
192.00667	3.6
193.01437	5.4
251.09322	1.8
269.10309	85.1
311.11368	78.4
346.14255	9.5
355.10217	1.8
361.16544	100.0
362.16913	3.0
394.42886	1.9
465.42993	1.7
479.08270	15.0
523.21820	5.5
687.71686	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	881.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53075	10.4
72.88174	2.3
74.79681	2.0
75.95224	2.0
105.60200	2.1
105.62000	2.2
108.02161	9.4
114.53362	2.5
122.03712	5.3
124.01653	16.7
127.40094	2.0
130.19931	2.1
135.04553	2.8
136.05304	3.9
138.03200	9.5
149.06064	4.7
150.03226	4.0
162.03195	2.6
164.04742	2.4
175.03951	2.9
177.01877	4.7
185.06068	3.1
187.03984	2.8
189.05502	2.9
199.07614	2.6
201.05589	2.6
203.03517	10.7
203.99448	2.2
213.05507	4.2
214.02625	2.2
215.03474	7.7
217.04980	5.2
225.09183	2.6
227.03499	4.4
228.04163	3.0
229.05031	5.5
241.05052	31.5
241.08723	2.6
243.02835	3.7
243.06548	4.3
255.06564	6.9
290.31802	2.1
399.25296	3.1
413.26767	3.5
423.25452	5.4
427.24692	6.4
439.24811	6.7
441.26385	26.1
455.27774	2.8
482.26593	3.1
532.28149	4.1
546.29578	4.6
679.60529	2.5
713.68890	2.4
793.52814	3.7
837.52936	20.0
881.52014	100.0
882.52271	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	883.172
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03962	0.4
70.13739	0.6
70.14027	0.5
71.01382	0.4
81.03460	1.0
83.01369	3.4
94.15219	0.4
94.90083	0.3
95.05003	1.4
101.43094	0.4
105.03449	3.8
108.02179	1.1
109.02945	43.0
111.04502	0.6
121.02943	0.4
125.02440	83.4
126.02789	1.0
133.02914	1.3
137.02428	7.2
139.04007	1.0
145.06654	0.4
149.02435	1.2
149.06082	0.6
151.03976	0.6
153.01927	100.0
154.02306	1.0
155.03505	0.4
159.04454	0.4
161.02437	36.7
162.02887	0.8
165.01932	2.8
167.03503	1.5
167.82626	0.4
169.01422	1.2
175.03969	0.8
177.01956	1.1
177.05522	2.9
179.03484	0.9
183.04442	0.7
189.05638	0.6
190.85028	0.4
197.06055	0.6
201.01874	0.5
201.05594	1.5
203.03404	0.6
219.06573	1.3
221.04425	0.5
225.05557	0.8
227.03427	1.1
229.01364	1.0
241.05164	0.7
243.03006	0.5
243.06441	0.9
245.04480	0.4
259.06274	0.4
269.04507	6.7
275.05533	1.0
287.05591	37.2
288.05942	1.0
303.04959	2.2
305.06662	8.3
423.07208	0.6
441.08209	23.9
442.08319	1.1
469.75491	0.4
607.39850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21840	0.6
69.22232	1.2
71.01333	1.9
73.63088	0.4
89.02398	1.0
91.34622	0.4
95.01350	0.5
96.02157	0.5
96.95995	0.4
101.02427	0.6
107.40279	0.4
108.02142	0.9
109.02911	0.6
111.00900	0.6
119.70733	0.4
122.03712	1.6
123.00830	1.7
124.01635	2.7
125.02380	1.4
136.01607	0.9
137.02452	0.8
138.03162	0.8
150.03186	1.1
152.01161	3.3
153.01872	0.9
165.01880	0.5
166.02696	0.8
178.49132	0.4
211.16882	0.5
229.95590	0.4
265.18091	7.3
281.17563	8.0
291.16022	0.6
291.73450	0.4
293.17575	55.2
294.17966	1.8
295.19113	1.0
297.13647	0.5
307.19250	0.4
309.17062	100.0
310.17737	11.8
311.18597	6.0
322.17813	0.6
323.18658	3.5
340.22128	0.4
351.18140	1.3
359.17218	1.1
389.17432	0.4
455.23029	0.9
471.22537	2.9
472.23312	1.8
473.23929	4.4
493.10046	0.7
497.24164	1.9
514.24182	3.0
515.24664	2.3
525.10150	0.4
564.16156	0.5
634.28326	7.4
634.37933	0.5
635.29089	9.2
677.30212	27.6
678.30530	1.0
839.35547	17.5
840.36066	0.8
883.36719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57042	0.2
64.66771	0.2
67.35646	0.2
69.97771	0.6
70.75600	0.2
71.01385	0.4
79.95733	5.2
82.55003	0.3
85.02966	0.2
96.96007	100.0
98.21982	0.3
98.35542	0.2
110.97597	0.6
120.11996	0.2
121.02927	0.6
125.02435	0.6
137.02449	0.6
151.03967	0.5
161.41199	0.3
183.84305	0.2
189.05640	0.3
203.05647	0.5
205.12244	0.5
227.03476	0.8
255.02948	1.3
263.04507	0.3
268.07339	0.3
269.08206	1.3
283.09729	1.5
284.03192	1.3
284.10641	0.4
285.04004	2.0
328.09311	0.5
340.09308	0.5
343.11908	0.7
355.11691	0.6
375.47311	0.2
431.09808	3.1
453.08569	64.9
454.08704	2.1
673.87756	0.3
765.18762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48407	0.4
65.50778	0.3
68.86725	0.3
70.02557	0.4
70.02888	0.8
71.01379	13.3
71.01779	0.7
71.55665	0.3
72.99303	0.6
81.07095	6.4
83.05032	0.9
85.02934	2.5
87.00897	0.5
89.02442	16.2
93.03471	0.6
94.04262	0.6
94.07269	0.3
95.01386	0.8
95.05031	0.6
98.21922	0.4
101.01795	0.5
101.02443	5.8
109.06583	6.6
113.02448	5.6
119.03503	4.6
123.04526	17.8
125.02467	0.7
127.07648	36.8
128.08002	0.7
138.03220	7.6
140.31963	0.4
143.03506	1.1
144.20517	0.4
153.05571	100.0
154.05952	1.7
161.04526	2.4
165.19879	0.5
171.06625	30.1
179.05600	15.9
183.55576	0.5
229.04910	0.4
233.11937	0.4
256.80856	0.4
315.33292	0.4
333.11890	1.8
351.12839	0.9
405.14346	0.4
439.16061	83.0
440.16434	2.8
619.22406	56.6
620.22888	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	893.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	1.0
71.01381	2.5
81.03456	2.4
83.01384	2.0
85.02951	1.3
89.02439	1.5
95.01373	1.1
95.05022	0.9
97.02930	3.1
101.02460	1.5
107.01378	1.9
108.02197	0.9
109.02953	9.4
111.00897	0.6
113.02438	1.3
118.98074	1.0
121.02956	1.7
123.00899	1.5
123.04517	4.9
124.01680	2.6
125.02447	69.9
135.04523	1.0
137.02434	8.1
138.03268	1.2
139.04039	1.5
145.02962	2.5
149.02440	2.5
150.03217	0.9
151.03983	5.0
153.01964	2.8
154.89374	0.6
159.04529	1.5
161.02435	2.1
161.06039	2.7
163.00291	0.5
163.04044	0.9
164.01143	0.8
165.01930	2.1
165.77803	0.6
166.99869	1.7
167.03494	2.4
168.00641	1.1
169.01421	100.0
170.01750	1.2
175.04059	0.9
177.01947	1.3
177.05568	2.4
178.06369	1.9
179.03485	2.0
179.07132	4.9
185.06070	1.5
187.04008	1.1
188.04790	1.3
193.01434	4.0
193.08691	1.3
195.06676	0.6
201.05519	0.8
203.07147	4.7
205.01385	0.7
205.05026	4.4
221.08325	0.8
223.06064	1.9
227.07085	0.8
237.07687	1.0
239.05621	5.9
245.08189	8.0
253.05019	1.5
259.06027	1.1
271.06125	4.9
287.05542	1.8
289.07172	39.7
290.07443	1.0
297.04428	0.6
302.82462	0.6
303.05157	1.8
331.04468	1.4
345.15561	2.4
373.70248	0.6
397.09137	1.2
399.13095	1.9
423.07559	0.7
441.08255	70.4
441.16904	3.9
442.08838	2.7
768.29266	0.6
893.33594	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	895.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	2.3
69.36801	0.8
70.61688	1.4
71.01380	39.4
72.99303	1.1
73.02945	66.2
75.00869	1.1
81.03444	1.7
82.58887	0.8
83.00908	1.4
83.01385	20.8
85.02950	10.6
87.00886	1.3
89.02440	15.4
95.01377	3.8
95.05022	1.6
96.96011	7.4
97.02966	1.8
98.95592	1.6
99.00853	1.0
100.97404	0.9
101.02442	61.5
105.03432	4.7
109.02969	1.0
112.53170	0.7
113.02451	30.8
116.92846	0.9
119.03513	9.0
120.98686	0.8
121.06564	1.7
125.02447	100.0
131.03494	8.7
133.02988	1.1
137.02440	13.2
137.09732	13.3
143.03506	9.7
147.03001	1.5
149.02585	1.1
149.04564	17.3
151.03979	0.8
155.03493	2.3
161.02455	46.8
161.04521	26.9
166.02666	1.2
167.03548	1.1
169.01448	2.2
175.03925	0.9
177.01970	1.2
177.05540	3.6
179.05644	1.4
189.12846	5.1
197.06053	1.3
201.05537	2.0
203.05595	4.7
207.13924	1.8
213.05470	1.3
221.06642	10.7
225.05582	1.8
269.04480	8.3
287.05606	23.7
293.33810	0.9
411.20392	5.2
453.08960	1.7
454.08655	1.1
455.08585	2.2
860.46887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
75.33776	0.4
76.57606	0.4
100.76808	0.4
124.01688	0.7
125.02436	2.7
136.01619	0.5
138.03194	0.7
146.03825	0.4
148.01678	0.4
149.02379	0.5
150.03253	0.8
152.01122	0.9
161.02463	2.5
162.03186	2.0
164.01138	2.7
165.01842	0.4
166.02737	3.9
167.03423	0.6
173.02332	0.4
177.01897	2.2
178.02744	2.1
178.99774	1.0
189.01866	0.8
190.02695	5.0
192.00638	58.0
193.01407	20.1
194.02185	12.5
202.02713	0.4
205.01405	4.4
205.04997	0.4
206.02193	5.0
207.02969	27.3
208.03595	0.7
209.04497	0.7
221.00981	2.5
222.01703	5.0
233.00899	0.6
234.01683	22.0
235.02060	0.7
237.04007	3.7
249.04037	10.3
249.06482	0.7
250.04416	0.4
264.02698	0.4
285.01089	0.4
299.70831	0.4
309.06216	0.5
312.04843	17.6
327.07190	100.0
328.07516	2.6
490.59146	0.4
535.96619	0.4
749.12866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33183	1.2
69.39384	4.9
73.01078	1.1
83.82843	1.1
98.21768	1.1
108.02165	4.0
122.03728	2.8
124.01657	6.5
130.90625	1.2
138.03210	3.4
149.06035	2.4
159.04523	2.0
164.06581	1.1
190.02655	1.4
201.05556	2.2
203.03484	4.4
213.05615	1.9
215.03450	2.4
217.05042	1.3
227.03481	2.2
229.05000	4.4
235.15717	1.1
241.05028	15.1
243.06488	1.5
255.06656	2.4
371.25833	1.7
399.02673	1.2
411.33127	1.2
413.27069	1.6
423.25522	3.1
441.26382	16.7
453.26431	3.1
455.28036	6.3
495.27759	1.4
496.28098	2.7
696.10260	1.2
807.55182	1.7
847.79718	1.5
851.54541	20.8
877.52570	2.5
895.53577	100.0
896.52673	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	897.152
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.3
76.93909	1.1
81.03457	2.3
83.01393	3.3
93.03476	1.6
95.01344	1.5
96.95962	1.2
97.02969	1.8
99.71638	1.3
105.03442	1.9
109.02937	8.6
119.01515	1.1
121.02933	3.2
123.00902	2.7
123.04533	5.6
125.02443	100.0
126.02755	2.0
133.02963	3.3
135.04514	2.0
137.02435	10.1
139.03996	2.3
140.50714	1.2
145.02943	2.7
145.38637	1.1
147.04636	1.8
149.02431	7.1
151.03986	8.6
159.04504	3.4
161.02415	15.9
161.06058	1.9
163.00386	2.0
163.04019	4.6
165.01938	3.7
166.02776	1.7
167.03529	6.8
169.01433	22.4
173.05994	1.8
175.00337	1.8
175.04047	11.8
176.01132	1.5
177.01923	46.5
177.05455	1.7
179.03513	2.1
183.04504	3.0
185.06087	1.5
187.03999	4.1
188.10471	1.2
189.01973	1.4
191.03455	1.7
193.01405	1.9
197.06013	1.6
199.04047	5.0
201.01904	1.7
201.05598	4.7
203.07097	2.2
205.05066	3.9
211.03987	2.6
213.05597	2.4
215.03471	3.4
217.05014	6.0
225.05725	2.1
227.03497	3.8
227.07143	1.8
228.04358	2.1
229.05089	3.9
231.02953	2.2
241.05013	4.1
243.02968	10.1
244.03590	1.4
245.04488	5.4
245.08202	3.0
253.05006	1.8
255.02942	8.3
255.08730	1.9
256.03662	2.8
257.04440	2.2
261.03967	2.6
269.04547	10.5
271.06055	4.1
273.04050	2.8
281.04541	2.6
281.13916	1.3
283.02463	2.4
285.04065	20.6
287.05530	7.4
289.07178	17.6
297.04010	4.1
298.04761	1.4
299.05557	1.6
303.05029	8.2
305.06665	3.8
319.04498	1.7
373.05035	1.3
379.08325	1.6
389.06741	2.6
407.07693	38.7
419.07925	3.5
423.07239	25.6
431.07718	4.8
437.08981	2.1
441.08313	5.7
449.08777	8.3
467.09717	3.1
513.11884	1.4
531.12762	1.6
546.50995	1.2
557.10614	10.2
559.08875	4.8
575.11908	22.0
577.09979	4.9
591.11145	1.9
593.12952	6.0
601.09698	2.7
619.10999	3.1
727.13385	7.1
745.14032	17.0
897.15411	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	897.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69391	0.9
69.03447	1.0
71.18562	0.9
71.32777	0.9
81.03452	2.9
83.01393	2.2
91.98390	1.0
93.03452	1.6
95.01407	1.1
95.05029	2.1
97.02943	1.7
105.03468	2.1
107.05042	1.9
109.02936	9.2
111.04530	1.6
114.85031	1.0
121.02956	4.0
123.00903	3.2
123.04514	1.9
124.01648	2.3
125.02446	100.0
131.05037	2.0
133.02899	2.4
137.02449	12.4
139.04036	4.8
143.04970	1.1
147.00946	1.2
147.04576	1.5
149.02399	8.0
151.04027	9.7
153.01920	1.6
159.04532	2.1
160.01689	1.9
161.02443	20.3
162.03142	1.4
163.00366	4.3
163.03992	3.7
163.25565	1.2
164.01094	2.0
165.01965	3.8
167.03505	6.5
167.04727	1.1
169.01413	12.3
171.04495	1.2
173.02362	1.5
173.05997	1.3
174.03207	1.5
175.00430	1.7
175.03987	20.9
177.01920	84.2
177.05576	3.8
179.03436	2.0
183.04469	2.1
185.06041	1.3
187.04021	4.3
189.01971	1.5
191.03499	2.2
193.05075	2.6
197.06108	1.9
199.04002	7.4
201.01938	4.7
201.05504	2.9
203.03461	4.0
205.05136	2.0
209.50290	1.2
211.03995	2.1
213.01747	1.5
213.05623	2.2
214.02594	1.7
215.03531	3.6
217.05054	11.8
219.02983	2.5
219.06496	1.8
221.04396	1.2
223.04022	1.3
225.05623	2.9
227.03502	5.4
229.01389	5.4
229.05002	4.5
231.02957	3.0
239.03403	1.6
241.05087	5.5
243.02983	15.7
243.06383	1.4
245.04628	2.1
253.05077	2.2
255.02983	8.9
256.03766	2.1
257.04568	3.3
261.04004	7.4
261.07913	1.6
267.02982	3.1
269.04425	6.5
270.05222	1.1
271.02396	1.1
273.04031	4.9
277.05136	1.5
279.03015	1.2
281.04498	1.7
283.02502	8.5
283.05499	1.9
285.04022	41.2
287.05600	12.6
295.02332	1.3
297.04059	8.5
299.05548	1.8
301.03439	3.9
303.05069	6.9
305.06631	8.8
309.04108	1.4
313.03561	2.0
319.04538	1.9
321.03976	1.4
323.05484	2.4
325.06992	1.8
335.05719	1.3
337.07291	1.8
339.05078	2.1
379.08298	3.1
391.08569	1.4
393.06473	1.4
403.04202	1.1
405.06125	5.6
409.05768	1.6
411.07111	5.0
421.05536	2.3
423.07199	78.1
435.07300	5.2
441.08228	3.4
447.07040	7.5
453.08676	2.3
455.05609	1.4
465.08139	7.8
483.09430	1.6
555.09259	2.8
559.08667	3.4
573.10162	14.4
574.09961	1.5
577.09851	4.9
591.11469	31.7
608.01044	1.2
609.12311	5.0
743.12701	2.7
745.14240	8.2
761.13214	1.3
781.95386	1.4
864.04285	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	897.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24391	1.0
80.66645	1.0
81.03473	2.0
83.01402	3.6
93.03458	3.8
97.02974	1.6
107.05032	3.0
109.02956	12.5
121.02953	5.7
123.00862	1.1
123.04552	5.4
124.01660	1.6
125.02442	99.2
131.05032	1.7
133.02966	4.3
135.04498	1.6
137.02444	17.4
138.03201	1.1
139.04028	4.0
145.03012	1.6
147.04532	1.2
149.02435	10.3
151.04008	14.9
159.04500	1.8
161.02393	6.2
161.06058	1.9
163.00359	2.4
163.03958	5.1
164.01172	5.1
165.01945	9.3
167.03476	4.9
169.01486	1.9
173.06073	1.3
174.03181	1.5
175.00456	1.1
175.04007	20.2
177.01923	100.0
178.02354	2.9
179.03519	3.7
187.04018	5.6
188.04799	1.7
189.01894	3.9
189.05586	1.6
191.03479	5.0
192.00653	2.7
193.01280	1.5
193.04958	2.1
199.04001	6.6
203.03490	2.2
203.07214	1.4
205.05109	2.8
207.03062	1.4
211.04076	1.9
215.03523	2.4
217.01338	1.8
217.05031	10.9
219.03008	8.4
219.06529	2.3
221.04596	1.4
225.05473	2.3
227.03477	1.9
227.07056	1.3
229.04985	3.3
231.03044	2.5
243.02942	34.4
244.03442	1.1
245.04491	1.9
245.08203	4.8
255.02934	11.1
256.03906	2.9
257.04550	2.3
261.04022	16.6
267.03046	1.6
269.04535	3.9
273.04025	3.0
281.04675	1.7
282.01709	1.2
283.02451	4.2
285.04059	4.9
287.05594	2.8
289.07169	20.3
293.04483	1.3
295.02438	1.6
297.04034	2.5
297.07239	1.3
301.03592	1.2
303.05103	22.6
305.06827	7.8
315.04987	2.2
315.08356	1.3
327.07364	2.9
339.08575	1.5
341.06689	1.2
383.07443	1.7
389.06705	1.1
391.04507	2.5
407.07724	19.6
411.07263	1.5
413.08798	3.0
421.05518	3.3
423.07077	11.4
425.08777	10.9
429.08267	6.1
439.06369	3.3
441.08356	4.8
467.09851	6.5
481.07568	3.2
483.09604	1.8
525.08276	4.5
543.09485	9.0
559.08655	2.7
561.10156	2.7
575.12714	1.1
577.09851	1.8
585.10339	1.3
591.11530	2.9
593.13153	8.4
603.11597	3.2
607.10760	3.1
609.12762	4.3
711.13507	13.3
727.12836	2.2
729.14850	6.1
771.15601	2.5
897.19073	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	897.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	0.9
68.19904	0.8
81.03441	1.6
83.01386	2.9
93.03446	3.0
95.05001	1.1
96.96001	1.6
97.02969	2.3
105.03382	1.3
107.05031	2.1
109.02952	7.4
111.04499	3.3
120.02195	1.1
121.02946	4.0
121.26653	0.9
123.00861	3.1
123.04506	2.6
124.01664	2.9
125.02443	100.0
126.02763	2.9
131.05063	1.9
133.02946	5.5
137.02448	19.0
138.03232	1.4
139.04033	7.4
147.00912	1.1
149.02391	7.9
149.06018	1.6
151.04007	9.0
157.06583	1.0
159.04466	1.4
161.02420	16.9
162.03253	1.2
163.00357	2.8
163.04010	3.9
164.01141	7.6
165.01923	9.6
166.02644	1.0
167.03471	8.5
169.01390	5.2
175.03993	17.5
177.01924	58.7
177.05464	2.0
178.02295	2.4
179.03535	4.7
187.03920	4.1
189.01950	2.5
189.05447	1.3
191.03479	3.0
193.05037	1.1
199.03961	6.5
200.04546	1.2
201.01930	2.4
201.05534	2.5
203.03424	3.7
205.01387	1.9
205.05128	1.3
211.03899	1.3
213.05594	1.1
215.03490	3.7
217.01274	2.1
217.05042	10.6
219.02969	5.7
219.06520	3.4
221.04575	2.3
227.03415	2.8
229.05052	3.4
231.02946	1.4
243.02966	29.0
243.06674	1.8
244.03543	1.5
245.04578	6.6
245.08142	1.6
255.03030	10.1
256.03720	3.4
257.04468	3.1
259.06085	1.4
261.03995	12.2
269.04486	3.3
273.04028	1.7
283.02441	5.1
285.04047	7.5
287.05667	9.8
289.07126	4.4
295.02408	1.3
297.03940	2.5
299.05588	2.1
303.05048	10.0
305.06693	17.8
306.07034	1.3
319.04742	1.1
351.71808	1.0
363.05243	1.2
373.03442	1.3
405.06027	8.2
407.07675	3.7
411.07239	1.5
423.07190	28.0
429.08136	4.1
435.07263	1.2
441.08093	4.3
449.08594	1.2
465.08203	5.1
467.09879	7.8
483.08978	1.2
533.10553	1.3
541.07709	4.2
559.08649	4.8
563.59851	1.0
573.10040	2.0
575.11823	3.0
577.09875	3.2
591.11200	7.7
593.13190	9.8
619.10510	1.6
693.12469	1.6
711.13593	9.8
729.14349	3.1
745.13580	2.9
897.18451	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	897.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94898	1.5
65.03957	1.7
71.42282	1.6
81.03474	1.7
82.18685	1.2
83.01380	3.2
93.03445	3.4
95.05043	1.9
97.02944	2.5
107.04997	2.8
109.02955	12.7
111.04510	2.0
119.05070	1.3
121.02958	5.8
123.00891	2.8
123.04525	5.6
125.02446	99.8
126.02766	2.1
131.05035	2.5
133.02931	7.6
137.02438	16.8
139.04018	3.7
143.05043	1.5
147.04437	1.6
149.02435	9.0
150.03183	1.6
151.04004	13.4
159.04529	1.7
161.02438	7.6
161.06079	2.2
163.00362	2.1
163.03986	4.1
164.01160	5.3
165.01944	7.4
167.03490	4.7
169.01434	4.6
173.02441	1.9
175.04002	22.5
177.01936	100.0
178.02303	2.3
179.03493	3.6
187.03999	3.7
188.04767	1.6
189.01971	2.1
189.05563	1.5
190.02692	1.8
191.03429	3.5
193.05061	1.6
194.34328	1.5
199.03978	8.6
201.01802	2.2
203.03502	2.9
203.07117	1.5
205.05060	4.7
211.03992	2.3
213.05479	1.6
215.03421	2.8
217.05046	11.5
219.03003	7.5
219.06454	1.8
225.05403	1.6
227.03465	2.4
229.05066	3.6
231.02921	2.5
241.04929	1.6
243.02966	43.2
244.03354	1.4
245.04512	2.3
245.08194	4.7
255.02969	9.7
256.03677	4.9
257.04495	2.7
258.91525	1.5
259.06067	1.9
261.03989	18.3
269.04510	3.7
271.57404	1.3
273.04031	3.7
281.04538	2.2
283.02579	3.5
285.04074	7.1
287.05493	3.8
289.07166	21.6
295.02393	1.5
297.04150	1.9
303.05063	22.0
305.06714	7.2
315.05161	2.3
339.08527	1.6
345.05331	1.2
391.04590	2.4
405.05994	2.3
407.07727	19.6
408.07697	1.4
421.05573	3.9
423.07248	13.0
425.08862	8.3
429.08310	8.2
429.13864	2.0
439.06732	4.2
441.08319	3.1
465.08542	2.1
466.76074	1.5
467.09918	6.9
481.07687	1.6
483.08881	1.7
525.08130	3.7
535.38904	1.6
543.09314	12.0
559.08765	2.8
561.10333	4.5
573.10779	1.5
575.11530	1.6
591.11835	4.2
593.12781	10.0
603.11755	1.9
607.10388	2.7
693.11731	1.6
711.13690	17.1
724.76733	1.5
729.14795	6.0
745.13550	1.6
897.18805	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	897.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.4
65.88602	0.2
69.03433	0.3
71.01379	0.7
71.38126	0.3
72.82780	0.3
72.99278	0.4
76.19329	0.3
83.01371	0.7
85.02934	0.6
107.01392	1.0
109.02927	0.7
113.02465	0.4
124.01633	1.5
125.02450	1.5
126.04715	0.2
137.02434	2.8
139.11342	0.4
149.34586	0.3
151.00357	5.1
152.01120	0.9
163.00345	1.3
164.01152	0.8
165.01971	0.4
169.01450	0.7
177.01955	0.3
178.99870	5.2
183.10301	0.5
193.01454	0.4
203.03519	0.4
204.04214	0.4
214.02701	4.2
215.03578	0.4
227.03516	0.5
232.03723	0.4
242.02222	3.7
243.03006	1.7
249.06192	0.5
259.02448	3.2
270.01682	5.2
271.02463	26.5
272.02835	0.8
283.03036	0.3
287.01968	14.5
288.02670	1.0
299.01877	0.4
316.02213	79.4
317.02942	15.3
318.03418	0.4
428.44684	0.3
433.16611	3.9
463.08810	100.0
464.09116	3.1
733.28003	0.3
875.50891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01359	1.5
73.02932	0.5
83.01350	1.8
85.02928	0.7
89.02441	0.9
95.01373	0.8
95.05029	0.5
96.02134	0.4
96.95976	1.8
101.02418	1.1
108.02175	4.5
109.02923	1.1
110.00089	0.5
111.00836	1.1
113.02428	0.8
119.03451	0.4
120.20477	0.4
121.02922	1.6
122.03732	1.6
123.00866	2.5
123.04469	1.1
124.01659	15.6
125.02437	2.7
134.03780	0.8
135.04463	0.4
135.71552	0.4
136.01654	1.4
137.02449	1.4
138.03200	1.2
139.00383	5.0
139.04044	0.6
147.04445	0.5
148.05251	0.5
150.03252	1.8
151.04042	0.4
152.01118	1.5
161.02457	0.6
161.04471	0.5
161.06056	0.7
164.04784	1.0
166.02597	0.4
167.03442	0.5
169.01479	0.4
169.31834	0.4
175.03844	0.6
177.01959	0.6
179.14366	0.9
181.16005	0.9
193.12457	0.5
207.02908	0.5
209.15475	0.5
217.15968	1.0
219.13998	0.5
221.11819	2.2
223.17094	0.5
225.15028	0.9
233.15460	1.4
235.13295	0.6
235.17119	0.9
237.11304	5.4
237.14967	1.1
243.13971	0.5
245.15471	5.2
249.14833	0.6
251.16545	0.4
259.13202	0.6
261.14932	7.3
263.16556	2.2
271.13336	2.6
277.14441	6.7
279.16025	2.8
285.03995	0.6
287.12909	0.5
287.16602	0.5
289.14429	10.8
291.16031	0.7
295.15472	10.7
305.13968	3.0
307.15494	100.0
308.15793	2.7
309.17050	1.0
321.16971	1.2
323.14978	87.1
324.15643	11.0
331.15460	0.5
337.16632	1.4
340.67404	0.4
349.16556	5.3
365.15970	3.7
423.07733	0.5
463.08923	1.0
469.20825	6.0
485.20325	1.0
486.20914	0.9
511.21902	2.9
528.22095	1.2
529.23352	0.5
573.25824	1.0
605.24677	0.5
647.25629	0.6
648.25800	2.1
649.27264	5.7
673.27625	1.7
691.28107	39.1
692.28448	1.8
733.28748	1.9
853.33423	21.7
854.34784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15880	53.1
78.91881	100.0
96.96000	87.7
99.28983	50.1
129.75157	54.8
171.10268	70.5
175.68764	56.3
192.94249	54.4
277.21783	73.0
397.13434	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68858	0.2
65.00310	0.7
73.02931	0.7
73.15694	0.2
73.57274	0.3
81.03470	0.3
82.65723	0.2
83.01387	0.9
84.87038	0.2
93.03445	0.3
101.02413	0.5
107.01379	1.8
108.02161	1.1
109.02950	10.2
121.02978	1.8
123.04533	0.7
125.02432	4.2
135.00887	0.5
137.02419	1.5
139.04015	0.5
145.02933	0.8
148.01598	0.5
149.02431	1.0
151.00366	6.8
151.04016	0.6
153.01930	13.4
159.04533	0.5
161.04655	0.4
161.06027	0.7
163.00417	1.7
164.01114	0.5
165.01944	0.7
169.01393	0.5
178.99852	3.8
179.03488	0.5
183.04495	0.5
187.03990	0.5
188.04793	0.3
189.05548	0.5
190.99771	0.3
201.05522	0.4
203.07158	1.0
205.05069	0.8
211.03963	0.7
216.04315	0.3
226.02672	0.7
227.03563	1.3
227.07085	0.4
229.05054	0.9
239.03448	0.4
243.02946	3.3
245.04544	1.6
245.08191	1.1
253.05060	0.4
254.02272	1.0
255.02966	11.4
256.03552	0.4
271.02481	21.7
271.05945	2.3
272.03067	1.1
273.04016	0.8
275.05548	1.2
283.02426	1.2
287.01953	0.7
287.05405	0.4
289.07150	8.6
290.07434	0.4
299.01886	0.3
300.02731	50.7
301.03506	37.1
302.03860	0.6
315.01608	1.3
316.02243	1.2
330.04272	0.4
331.04544	0.6
365.82523	0.3
425.08713	6.6
447.09290	100.0
448.09528	1.9
477.10367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50181	0.2
79.75174	0.2
85.26078	0.2
91.02225	0.2
92.43073	0.2
95.01400	0.3
96.02185	0.3
123.00886	0.3
124.01672	0.7
128.97273	0.2
152.01129	0.7
165.00453	0.2
165.01804	0.3
191.99129	0.4
192.99796	0.4
195.98602	0.3
204.99956	0.4
207.98535	0.4
223.98062	0.3
256.99402	1.0
265.18024	0.6
271.01059	1.8
272.01474	0.3
285.02621	0.5
293.17572	7.2
299.00519	2.4
300.01157	1.0
305.16034	0.8
313.02002	2.1
327.03580	0.3
327.07187	0.2
332.00320	0.4
333.15585	6.2
348.14383	0.8
355.06738	0.4
355.65277	0.2
369.08133	0.4
375.29605	0.2
376.36826	0.2
379.48517	0.3
383.09766	0.5
397.11191	0.4
439.15948	0.5
440.16800	0.7
444.16449	0.3
468.16232	0.3
472.15866	0.3
529.34363	0.4
553.33545	0.3
581.33295	20.9
582.33447	0.6
609.32764	100.0
610.23694	0.3
610.33112	4.3
622.83716	0.3
903.51013	8.8
904.50989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02413	0.3
69.27722	1.6
71.43758	0.3
71.52056	0.3
105.81641	0.3
107.01403	1.2
109.02939	1.2
121.02959	0.3
124.01636	1.3
125.02438	5.4
135.00853	0.4
136.01608	0.4
137.02409	2.3
149.98412	0.3
151.00365	4.3
152.01067	0.5
155.83946	0.3
163.00375	1.1
164.01134	0.8
165.01909	0.5
169.01425	6.3
178.56071	0.4
178.99846	4.6
192.00706	0.4
193.01384	0.6
197.25473	0.3
214.02742	2.7
215.03296	0.3
227.03493	0.4
229.56886	0.3
237.10612	0.3
242.02196	3.3
243.02980	1.1
245.08176	0.4
259.02435	3.3
270.01715	3.9
271.02478	20.5
272.02939	0.6
287.01965	10.4
288.02707	1.3
289.07098	2.5
300.02820	0.6
308.92654	0.3
316.02216	73.3
317.02954	15.7
318.03546	0.5
357.82489	0.3
441.08246	2.9
463.08817	100.0
464.09036	3.8
473.49097	0.3
600.15924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02413	0.3
69.27722	1.6
71.43758	0.3
71.52056	0.3
105.81641	0.3
107.01403	1.2
109.02939	1.2
121.02959	0.3
124.01636	1.3
125.02438	5.4
135.00853	0.4
136.01608	0.4
137.02409	2.3
149.98412	0.3
151.00365	4.3
152.01067	0.5
155.83946	0.3
163.00375	1.1
164.01134	0.8
165.01909	0.5
169.01425	6.3
178.56071	0.4
178.99846	4.6
192.00706	0.4
193.01384	0.6
197.25473	0.3
214.02742	2.7
215.03296	0.3
227.03493	0.4
229.56886	0.3
237.10612	0.3
242.02196	3.3
243.02980	1.1
245.08176	0.4
259.02435	3.3
270.01715	3.9
271.02478	20.5
272.02939	0.6
287.01965	10.4
288.02707	1.3
289.07098	2.5
300.02820	0.6
308.92654	0.3
316.02216	73.3
317.02954	15.7
318.03546	0.5
357.82489	0.3
441.08246	2.9
463.08817	100.0
464.09036	3.8
473.49097	0.3
600.15924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35548	0.3
65.00325	0.6
69.03444	1.3
69.07563	0.3
69.70972	0.8
71.01387	0.3
75.05417	0.3
81.03468	1.8
83.01385	1.7
88.59123	0.3
93.03461	0.4
95.01362	0.4
95.05005	0.7
97.02959	1.3
98.22539	0.3
105.03471	0.6
107.01393	1.2
107.04995	0.3
109.02964	0.7
111.00916	0.3
111.04481	0.4
117.03435	0.3
123.00888	0.8
124.01676	0.7
125.02446	73.0
126.02790	0.6
131.05019	0.4
133.02971	0.4
137.02449	2.0
139.04031	1.4
145.02945	0.3
149.02454	2.2
151.00377	5.0
152.01138	0.8
153.01926	1.6
154.11934	0.3
159.04395	0.4
161.02444	3.5
163.00351	0.3
165.01918	1.3
166.99831	0.5
167.03491	2.0
169.01422	100.0
170.01755	1.0
173.06044	0.9
175.03961	0.3
176.01143	0.3
177.01833	0.5
177.05530	1.1
178.99849	2.9
179.03479	2.0
191.03545	1.4
193.01460	1.7
196.23415	0.3
197.06079	0.3
199.04005	0.4
201.05617	1.0
203.03479	0.4
215.07098	0.9
219.06606	0.6
221.04558	0.7
225.05550	0.8
227.03609	0.3
241.05070	0.6
243.06660	1.3
259.06097	15.8
261.07663	0.4
269.04538	14.8
283.06174	0.4
287.02499	0.6
287.05618	9.4
296.86856	0.3
305.06671	4.7
307.71387	0.3
331.04666	1.6
421.11691	0.4
426.20126	0.3
431.09592	0.6
449.10873	37.1
450.11285	0.5
457.07745	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	908.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.4
70.68462	0.3
71.01376	3.8
71.42761	0.3
73.02944	10.1
74.10643	0.3
81.03460	0.4
83.01385	2.4
84.07632	0.2
85.02946	0.6
89.02424	1.6
89.42190	0.3
93.03453	1.3
95.01379	0.5
97.02964	0.4
101.00700	0.3
101.01789	0.4
101.02444	5.9
107.01373	1.2
107.05015	0.6
109.02934	1.0
111.00881	0.7
113.02459	2.0
118.02925	0.4
121.02931	1.8
123.00859	1.9
123.04526	0.6
124.01648	3.2
125.02448	8.1
131.03520	0.4
135.04543	0.6
136.98785	0.3
137.02409	1.4
138.03185	0.5
139.00320	0.6
139.03983	0.5
140.01166	0.4
141.01855	0.3
143.03534	0.3
145.02943	0.7
149.02438	2.6
151.00334	0.7
151.03999	0.9
152.01111	0.4
153.01933	0.9
156.31250	0.3
161.02377	1.0
162.03246	0.6
162.05591	3.9
164.01166	2.3
165.01942	3.0
166.02682	1.2
167.03453	1.1
168.00647	2.2
169.01411	8.0
169.02782	0.6
173.02396	0.4
177.01910	1.0
178.02716	0.6
178.99828	0.7
179.03511	0.8
180.06645	1.0
183.03004	1.0
189.01935	0.6
190.02730	1.6
191.03467	0.8
192.00635	30.2
193.01398	44.3
194.02153	3.4
195.02956	0.5
205.01390	1.1
206.02188	1.5
207.02965	9.8
208.03351	0.6
208.31377	0.3
211.02461	7.3
221.00916	1.1
222.01637	1.4
223.02451	0.8
225.03987	0.4
233.04590	0.3
234.01643	4.0
235.02458	4.1
237.04140	0.8
249.04082	1.8
271.04544	2.5
294.03705	0.4
312.04855	2.9
313.05661	4.1
324.10876	0.7
327.07184	1.9
342.11850	2.5
342.66721	0.3
384.12970	36.9
385.13342	0.8
464.05869	1.4
479.08276	100.0
480.08566	7.8
627.31946	0.3
726.08154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
85.18502	44.6
98.22623	100.0
103.01481	56.1
124.61807	46.3
128.55945	49.2
172.58672	44.5
175.18192	47.2
268.14297	59.7
347.06070	49.4
352.54514	49.6
503.02490	51.5
571.73822	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	4.6
73.02948	1.7
82.57822	0.4
83.01386	0.8
85.02937	2.2
89.02444	2.4
92.20416	0.4
93.03460	0.9
95.01390	0.8
97.66029	0.4
101.02418	2.4
107.05036	0.5
113.02436	2.4
119.03506	1.0
121.02958	1.2
123.00874	1.1
123.04498	0.8
124.01654	1.4
125.02444	1.8
133.02927	0.6
136.01671	0.8
137.02478	2.0
138.03192	0.7
139.03998	1.2
145.02989	0.5
149.02425	2.3
151.04007	1.1
161.02441	1.1
161.04587	1.2
162.03181	1.1
163.04045	0.7
164.01147	4.6
165.01883	2.5
166.02696	1.2
166.99826	0.7
167.03421	0.9
168.00681	1.6
169.01382	0.8
177.01964	1.0
178.02698	0.5
178.99858	1.6
183.02982	1.5
189.01886	0.4
190.02827	1.0
191.03453	0.6
192.00642	73.5
193.01405	46.3
193.95584	0.5
194.02144	2.5
195.03036	0.5
205.01361	1.6
206.02179	1.5
207.02977	19.8
210.01683	1.2
221.00909	1.5
222.01688	1.8
225.04010	2.1
234.01703	4.1
235.02443	3.7
249.04031	1.9
258.33664	0.4
313.16327	0.5
331.17639	3.7
373.18661	5.4
413.70334	0.5
478.07440	1.6
493.09860	100.0
494.10245	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	911.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86268	0.9
69.03448	2.6
69.73156	0.9
71.01378	43.6
73.02946	27.9
77.56402	0.9
83.01379	9.1
85.02957	8.0
87.00887	1.1
88.66245	1.0
89.02443	2.2
95.01374	2.2
97.02943	2.3
99.00879	2.9
101.02442	22.5
109.06600	2.2
113.02435	9.4
113.80803	0.8
117.22564	0.9
119.03497	2.2
125.02480	6.8
131.03494	1.4
137.09732	6.8
139.07614	1.0
143.03458	3.3
149.04532	3.5
149.09706	1.5
161.04567	8.9
169.01399	2.1
177.01900	1.5
189.12860	2.4
192.11557	11.6
192.43593	0.9
203.03661	1.8
203.05600	50.6
207.13892	100.0
209.39240	0.9
211.13364	1.0
221.06709	1.8
287.99927	1.0
289.82013	1.0
354.82013	1.0
411.20090	4.0
530.57422	1.0
552.68463	1.2
598.78711	1.1
898.57300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.0
71.01379	54.6
72.24286	0.8
72.99312	2.2
73.02943	100.0
75.00849	1.2
83.01385	29.8
84.02167	0.9
85.02942	12.9
87.00887	2.3
89.02437	21.1
95.01395	3.5
96.96023	0.9
97.02960	1.5
99.00903	1.8
99.04508	0.9
101.02440	96.7
113.02446	42.9
113.03249	1.6
119.03500	14.6
121.06572	1.9
123.24259	0.9
125.02459	4.7
131.03497	10.0
137.09715	20.4
143.03511	12.5
146.32475	0.9
149.04552	28.4
149.09685	1.0
155.03487	3.7
161.04556	48.5
165.02046	1.0
169.01454	1.8
177.02008	1.1
179.05659	1.6
188.27159	0.9
189.12837	7.4
203.05583	8.7
204.87500	0.9
207.13863	1.5
221.06645	21.4
221.08661	1.8
259.60526	0.9
341.80765	1.0
351.18286	1.3
369.19070	2.3
411.20163	7.5
462.34726	0.9
467.53970	0.9
541.90204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.8
69.03458	1.2
81.03458	3.0
81.49402	0.7
83.01386	3.1
93.03460	1.6
95.05045	1.4
97.02954	1.6
103.05518	0.8
103.15733	0.7
105.03451	3.1
107.01402	1.5
109.02947	13.3
111.04517	2.7
117.03428	0.8
119.05076	1.1
120.96407	0.7
121.02955	3.8
123.00909	2.8
124.01675	2.9
125.02449	100.0
126.02793	1.5
127.02928	0.7
130.46077	0.7
131.05023	1.4
133.02966	2.8
135.04524	1.2
137.02443	15.7
139.04054	4.6
143.05020	1.0
147.04482	1.1
149.02425	6.1
151.04015	7.4
153.01944	19.3
155.05121	1.0
157.02975	0.8
157.06589	0.7
159.04556	1.7
161.02434	20.2
161.06078	0.9
163.00391	3.2
163.03993	3.5
164.01096	2.2
165.01912	4.5
166.02727	1.1
167.03508	8.8
169.01431	14.1
171.04437	1.0
171.95840	0.7
173.05997	1.5
174.03192	1.1
175.00371	1.7
175.02519	0.7
175.04013	15.2
177.01933	52.5
177.05356	4.1
178.02304	1.0
179.03500	3.1
183.02960	1.2
183.04486	1.1
185.02493	0.8
185.06018	0.8
186.26920	0.7
187.04099	3.3
189.01994	2.1
189.05556	0.7
190.02737	0.9
191.03421	2.0
192.00581	0.7
193.01395	3.3
193.05064	1.6
199.04037	6.1
201.01913	2.8
201.05603	2.9
203.03511	2.9
204.04395	0.9
205.01555	1.2
205.05066	2.1
211.04034	1.7
212.04736	0.7
213.05594	2.7
214.02739	1.0
215.03569	3.1
217.05066	7.5
219.02962	2.3
219.06650	3.7
221.04547	1.3
225.05621	1.7
227.03471	2.9
229.01437	2.8
229.05022	3.5
231.02953	2.0
237.05452	0.8
239.03485	1.6
241.05049	4.2
243.03014	12.0
243.06596	1.7
245.04590	2.3
253.05154	1.8
255.02994	9.4
256.03738	1.7
257.04697	1.9
261.03964	3.9
261.07712	1.8
265.05048	1.3
267.02945	1.4
269.04523	8.8
273.04080	6.1
279.06723	1.2
283.02512	5.8
284.03226	0.9
285.04050	27.3
286.04572	1.2
287.05615	11.5
295.02548	1.3
297.04099	6.1
299.05637	1.0
301.03641	2.5
303.05124	9.0
305.06641	13.7
309.04123	3.2
311.05444	0.8
319.04587	4.1
323.05612	2.3
323.47870	0.8
325.03400	1.1
325.07101	1.8
327.05142	2.1
367.08041	1.7
377.06979	1.0
379.08231	1.1
387.05099	1.3
405.06216	5.3
409.05273	1.8
411.07156	4.2
421.05637	2.6
423.07199	60.0
424.07529	2.4
433.20728	2.5
435.07193	4.9
441.08185	6.9
447.07309	6.0
453.08484	1.3
457.07712	2.2
465.08139	9.0
479.08505	3.8
483.09534	2.7
555.09418	2.2
573.10266	14.9
574.11279	1.1
575.08282	3.4
591.11401	22.4
592.11859	0.9
593.09686	4.4
609.12286	6.8
617.09644	1.9
635.10352	1.3
743.12573	4.9
761.13562	12.6
835.98376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40014	0.7
69.03459	1.6
69.45574	3.6
74.40619	0.8
81.03451	2.1
83.01373	1.8
93.03456	1.6
95.01382	1.8
97.02918	1.3
105.03469	1.4
107.01387	1.4
109.02956	4.9
111.04488	1.8
116.98277	0.7
121.02934	3.5
123.00877	3.2
124.01646	2.9
125.02446	100.0
126.02789	4.2
131.05011	1.9
132.02228	0.9
133.02936	3.4
137.02428	9.3
138.03224	1.2
139.04021	2.6
143.05019	1.2
145.02876	1.1
147.04544	1.6
148.22353	0.7
149.02431	8.2
151.03989	7.2
153.29771	0.8
155.05019	1.1
158.03682	0.8
159.04521	2.1
160.01637	0.9
161.02428	13.0
162.03186	0.9
163.00406	3.3
163.04008	3.5
164.01173	2.6
165.01924	4.1
167.03494	10.6
168.03860	1.2
169.01431	29.1
170.01672	1.5
171.04468	1.7
173.02315	0.9
173.06055	1.0
174.03122	1.0
175.00391	1.4
175.04007	16.3
176.01091	1.2
177.01929	65.7
177.05347	3.6
178.02277	2.6
179.03490	1.8
179.30798	0.8
183.04538	0.8
185.06044	0.8
187.04031	2.9
189.01994	2.4
191.03516	2.7
193.01421	2.9
193.05016	1.7
196.50679	0.7
197.06171	0.9
198.03333	1.0
199.03983	5.7
201.01909	3.8
201.05530	2.0
203.03548	3.1
204.04143	0.9
205.01352	0.9
205.05116	1.1
211.03951	2.3
213.05630	2.0
215.03476	3.1
217.05064	7.3
219.03044	3.4
219.06607	1.9
221.04562	1.0
225.05638	1.0
227.03590	3.7
228.04178	1.3
229.01462	1.7
229.05060	3.4
229.63910	0.7
231.03020	1.5
231.06493	0.8
239.03448	1.0
241.05067	3.2
243.02992	13.8
243.06705	1.4
244.03186	0.8
245.04558	2.3
253.05135	1.0
255.03033	7.0
256.03659	1.8
257.04498	2.0
259.02536	1.0
261.03973	7.8
265.05020	1.3
267.03043	1.8
269.04526	5.5
271.02411	1.2
272.03076	0.9
273.03995	4.7
283.02521	4.8
284.03189	1.3
285.04074	27.6
286.04593	1.3
287.05576	9.0
293.04260	1.0
295.02448	1.6
295.05902	1.2
297.04062	4.7
301.03653	2.6
303.05054	8.7
305.06726	8.6
309.04214	1.5
319.04410	5.4
323.05682	2.0
323.15063	1.0
325.03293	1.4
327.05078	1.7
337.07175	1.5
367.08496	0.9
379.08466	1.8
403.04501	1.1
405.06116	4.0
409.05569	1.3
411.07031	4.5
421.05493	1.4
423.07211	59.4
424.07663	1.7
429.08490	0.9
435.07138	4.2
439.06686	1.1
441.08368	3.1
447.07135	7.0
453.08340	1.2
455.06183	1.4
457.07910	1.7
465.08328	6.6
480.85388	0.9
483.09308	0.9
529.10907	1.2
555.09454	2.0
573.10419	13.1
574.10968	1.6
575.08533	2.1
591.11456	24.0
593.09344	2.2
608.11597	1.0
609.12640	4.8
617.10095	1.4
743.13007	3.1
761.13434	6.3
913.15192	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66220	0.8
64.18018	0.9
68.58714	0.9
72.24934	0.7
78.01228	0.8
79.58434	0.9
81.03455	1.1
82.63173	0.8
83.01379	2.7
89.73940	0.8
92.68790	0.9
93.03447	1.5
95.01358	1.6
105.03455	2.8
107.01334	1.4
109.02957	4.6
111.04508	2.6
121.02944	2.2
123.00849	2.2
124.01667	2.5
125.02448	100.0
126.02737	1.2
131.05008	1.9
133.02960	3.2
137.02455	11.4
139.04056	3.9
143.05020	1.0
145.02884	0.9
149.02440	5.3
151.04018	8.6
159.04547	1.4
161.02457	20.2
163.00356	3.0
163.03970	2.9
164.01158	2.0
165.01967	5.6
167.03470	6.0
168.45808	0.8
169.01427	13.8
173.02386	1.2
173.06052	2.0
175.00333	2.0
175.03995	13.4
177.01923	68.8
177.05537	3.4
179.03482	2.4
183.04489	2.2
185.02438	1.2
185.06111	1.9
187.04002	4.4
189.01964	1.8
191.03441	2.6
193.01393	3.3
193.04965	1.7
197.06062	1.8
197.18083	1.1
199.04012	7.5
201.01939	4.1
201.05574	2.7
203.03487	2.8
205.04941	2.2
211.04025	2.5
213.05547	1.9
214.02643	1.2
215.03462	2.4
217.05077	9.6
219.02895	3.4
219.06544	2.1
221.04486	1.3
223.04102	1.0
225.05498	1.3
227.03455	4.8
229.01367	3.6
229.05058	2.3
231.02924	2.6
237.05446	1.0
239.03418	1.8
241.05115	4.2
241.13000	0.8
243.02988	14.6
243.06619	1.9
245.04486	3.4
253.04970	2.2
255.03001	10.2
256.03638	3.5
257.04532	2.4
259.06180	1.3
261.03943	6.9
267.02832	2.4
269.04575	7.4
273.04025	7.1
279.02960	1.2
281.04684	1.5
283.02435	8.7
283.05505	1.6
285.04053	36.5
286.04495	1.9
287.05597	12.0
295.02631	1.7
295.06143	1.0
296.03348	1.2
297.04016	5.8
299.05499	1.6
301.03702	1.9
303.05112	9.8
305.06674	9.4
309.03976	2.5
313.06903	1.0
319.04538	2.7
321.04123	1.0
323.05533	2.2
325.03244	1.0
327.05084	1.3
335.05280	1.1
337.07202	2.1
339.04898	1.1
367.08102	1.8
377.05991	1.0
379.08066	3.5
387.05121	1.1
403.04016	1.2
405.06201	5.2
409.05475	1.4
411.07095	4.9
421.05383	2.0
423.07217	76.5
424.07504	2.9
435.07144	4.9
441.07959	3.1
447.07196	8.5
453.08337	1.8
457.07736	2.2
465.08170	8.7
483.09210	2.6
555.09332	3.8
573.10364	18.7
574.10870	1.8
575.07996	1.9
591.11414	33.9
592.12085	2.0
593.09619	4.2
609.12439	7.8
617.09180	1.9
635.10773	1.1
743.12518	4.3
761.13641	10.3
762.12183	1.0
886.48755	1.0
913.15186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83354	1.5
69.03448	1.2
80.10149	1.0
81.03470	1.5
83.01376	3.2
87.00873	10.0
93.03465	2.9
95.01362	1.3
95.05029	1.3
97.02982	1.2
98.19453	1.2
98.21874	3.4
105.03439	1.5
107.05006	2.4
109.01409	1.2
109.02921	7.8
111.04523	4.3
121.02931	4.4
123.00898	2.5
124.01669	1.5
125.02443	100.0
131.04988	1.6
133.01483	1.3
133.02948	2.6
137.02440	20.0
138.03247	2.4
139.04015	8.1
147.04514	1.5
149.02422	7.9
151.00328	1.0
151.04012	10.0
161.02412	1.9
163.00336	2.3
163.04001	3.6
164.01158	4.6
165.01913	10.7
166.02664	1.6
167.03459	11.4
169.01373	1.8
175.03998	18.4
176.01183	1.7
177.01918	88.8
178.02490	2.3
179.03499	4.4
187.04062	3.6
189.01865	2.8
189.05548	1.4
190.02609	1.6
191.03476	4.1
193.05103	2.8
196.23582	1.3
199.03996	8.0
201.01923	1.4
201.05598	1.2
203.03476	1.9
205.01485	2.7
213.05511	1.2
215.03400	1.5
217.01457	3.2
217.05096	11.0
219.02939	9.2
219.06587	4.8
221.04474	3.3
227.03528	2.0
228.04300	1.6
228.97554	13.3
229.05011	3.6
231.03123	1.8
241.05115	2.4
243.02966	37.7
255.02953	13.1
256.03650	3.4
257.04520	2.5
261.04022	21.7
261.06851	1.9
261.07751	1.3
269.04590	2.3
273.04120	3.3
281.04492	1.4
283.02475	6.7
285.03940	6.2
297.03970	4.8
299.05701	1.5
301.03528	1.7
303.05096	25.3
305.06693	34.3
315.05078	2.7
355.08429	1.6
357.06232	2.3
374.04196	1.9
388.30365	1.3
391.04562	3.7
421.05676	4.6
423.07257	30.6
429.08124	7.6
439.06793	6.9
441.08054	10.0
463.06781	1.2
481.07584	5.3
483.09384	7.6
541.07727	12.1
559.08594	14.5
571.08899	3.5
573.10626	1.3
577.09589	4.6
591.11481	2.9
601.09668	2.3
607.11176	4.6
609.12292	10.3
619.11145	3.7
654.72742	1.2
727.13031	19.2
745.14117	3.7
787.15997	2.2
905.77014	1.2
913.17505	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	913.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	1.3
67.45959	1.2
69.74314	1.1
81.03419	1.2
83.01384	3.4
90.06927	1.1
93.03450	2.4
95.01381	1.2
97.02951	1.1
107.05022	2.9
109.02938	6.8
111.04535	4.8
121.02976	5.7
123.00892	1.7
124.01699	1.4
125.02448	100.0
131.05003	2.3
131.08264	1.7
133.02942	3.4
135.04436	1.4
137.02452	26.2
138.03233	1.2
139.04018	8.6
147.00864	1.5
149.02446	7.6
151.03996	12.9
159.04498	1.4
160.77451	1.1
161.02435	3.1
163.00383	2.2
163.04022	5.0
164.01167	4.9
165.01923	10.8
167.03493	10.4
173.06085	1.2
175.00383	1.2
175.04005	19.1
176.01041	1.2
177.01924	92.8
178.02388	2.1
179.03534	5.4
187.03993	3.9
189.01920	3.3
191.03552	3.8
193.05037	2.4
199.04008	4.8
199.28384	1.1
201.01921	1.3
201.05637	1.9
203.03461	2.9
205.01440	1.7
205.04945	1.2
211.03972	2.0
215.03470	2.8
217.01337	2.0
217.05037	12.5
219.02998	10.4
219.06528	7.7
221.04636	2.8
229.05051	2.3
231.03009	2.4
243.02979	38.1
255.03004	12.7
256.03833	2.4
257.04529	3.2
259.06079	2.0
261.03989	20.7
261.06879	1.7
261.07825	1.6
267.03006	1.5
269.04703	2.3
273.03976	2.9
281.04617	1.4
283.02530	6.7
283.05371	1.3
285.04022	3.5
295.02521	1.3
297.04065	4.5
301.03452	1.8
303.05093	21.3
305.06677	30.9
315.05115	3.3
327.50824	1.3
331.08456	1.3
343.04529	1.5
353.06448	1.3
357.06375	1.9
357.78244	1.3
373.03564	1.7
379.04510	2.2
391.04318	2.4
421.05557	4.1
423.07272	27.0
429.08295	8.0
429.46326	1.3
439.06595	7.3
441.08255	11.3
451.06458	1.5
481.07877	8.0
483.09271	10.5
541.07843	8.9
559.08801	13.0
560.49744	1.6
577.09613	4.9
591.11401	1.5
607.10590	5.3
609.12390	12.4
619.11285	2.0
727.12988	17.4
745.14545	5.8
746.13593	1.4
787.14362	1.5
913.17883	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	913.183
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12476	0.8
65.00333	0.9
67.01893	1.4
68.85396	0.7
69.30476	3.4
70.37587	0.7
80.27988	0.7
81.03446	1.8
83.01385	2.7
91.78506	0.7
93.03452	3.0
95.01385	1.7
95.05028	1.1
97.02937	1.1
105.03444	1.6
107.05029	2.3
109.02942	8.4
111.04530	4.4
121.02966	5.4
123.00859	4.1
123.04522	1.4
124.01649	2.5
125.02446	100.0
126.02777	2.7
131.05019	1.7
133.02904	1.8
133.06677	0.8
135.04500	1.3
137.02458	20.7
138.03207	1.2
139.03999	7.3
147.04485	1.3
149.02451	8.1
149.06059	1.0
151.00371	0.8
151.04022	9.7
157.19054	0.8
159.04607	0.9
161.02423	3.6
163.00368	3.2
163.04019	3.9
164.01132	4.9
165.01929	10.4
166.02686	1.7
167.03490	15.6
168.03943	1.0
169.01402	7.5
174.40884	0.8
175.00372	1.4
175.04022	15.6
176.01117	1.4
176.04347	0.8
177.01924	89.9
177.05290	2.0
178.02293	3.5
179.03513	5.6
181.14174	0.7
187.04001	4.1
189.01947	4.0
189.05505	1.7
191.03413	2.9
193.04999	1.9
199.03993	5.6
201.02007	1.5
201.05450	1.1
203.03444	1.4
204.04192	1.3
205.01369	2.0
205.05003	1.4
207.02875	0.9
211.03986	1.3
213.05496	1.4
214.02786	1.1
215.03445	2.8
217.01450	2.4
217.05019	9.9
219.02980	6.2
219.06560	4.1
221.04547	3.2
227.03448	2.2
228.04128	1.0
229.04912	3.8
231.02928	2.0
241.05063	1.8
243.00624	1.6
243.02977	26.8
244.03574	1.1
245.04370	1.2
255.03021	13.3
256.03680	3.3
257.04562	3.4
259.06042	1.9
261.04025	17.8
261.07761	1.3
262.04221	1.0
267.02911	1.3
269.04498	3.3
271.02460	1.4
273.04056	2.6
282.01663	1.3
283.02585	6.8
285.04099	6.7
287.05618	1.2
293.04572	1.1
297.04007	5.2
298.04733	1.2
301.03415	1.9
303.01984	1.4
303.05145	21.3
305.06702	26.0
306.06970	1.1
315.05136	1.9
319.04547	1.6
335.04987	1.1
349.20346	0.8
357.06186	0.9
373.03488	1.0
379.04611	1.3
391.04544	2.1
397.09631	1.0
411.07416	1.1
421.05670	2.6
423.01526	1.7
423.07199	27.6
429.08179	4.8
439.06424	4.4
441.08218	7.7
465.07898	2.3
469.07437	1.1
481.07550	2.8
483.09235	7.3
528.92743	1.1
533.11346	1.1
541.07904	8.7
559.08826	9.6
573.10150	1.1
577.10309	4.5
589.09857	1.1
591.10919	1.8
601.09973	1.8
607.11060	7.8
608.11060	1.0
609.12610	7.3
619.10907	2.6
727.12952	9.1
745.14264	3.2
913.17261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48931	0.7
70.35200	1.5
70.99461	0.6
71.01378	34.4
71.95513	0.5
72.99296	0.7
73.02938	9.3
75.00882	0.8
76.22980	0.6
83.01384	5.6
85.02948	21.9
87.00851	2.2
89.02448	8.7
95.01382	3.0
99.00886	2.6
101.02440	25.2
104.41602	0.7
112.01624	1.0
113.02434	15.7
119.03497	2.9
125.02434	3.3
129.01949	0.7
131.03497	3.6
134.87642	0.6
159.03055	1.0
161.04512	3.9
161.12631	0.6
177.01938	2.1
211.98944	0.8
237.60905	0.7
275.07733	1.5
293.17523	2.7
294.17911	0.7
534.94159	0.8
751.46509	3.0
780.48370	0.8
913.51587	100.0
914.51788	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	915.1621
Annotation	Assamicain A
Peak:m/z	Relative Intensity
69.03446	1.0
71.45045	0.2
79.01864	0.2
81.03454	1.3
83.01386	0.4
93.03492	0.2
95.01368	0.4
95.05019	0.2
97.02944	1.3
105.03453	0.7
107.01395	0.5
109.02953	0.6
110.38528	0.2
111.04533	0.5
121.02950	0.3
123.00886	0.4
124.01659	0.6
125.02442	55.8
126.02779	0.6
134.45021	0.2
135.23701	0.2
137.02438	1.8
139.04019	1.1
149.02444	0.5
154.62657	0.2
161.01102	0.3
161.02434	4.2
164.01070	0.4
165.01898	1.1
166.99887	0.4
167.03462	1.4
169.01414	100.0
170.01743	0.8
175.04010	0.2
177.01927	0.9
177.05544	0.6
179.03549	1.5
180.28433	0.2
193.01434	1.9
201.05661	0.3
219.03116	0.2
219.06551	0.8
221.04547	0.5
261.07626	0.3
269.04553	1.1
287.05524	2.0
305.06656	7.7
319.04507	0.4
324.25244	0.2
331.04541	1.5
425.07489	0.2
457.07758	19.6
458.07831	0.6
915.91345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85155	0.9
71.01386	0.3
81.03455	0.2
81.67981	0.3
83.01379	0.7
83.01880	0.3
84.23671	0.2
93.03455	0.8
95.05023	0.3
105.03485	0.7
108.02189	1.8
109.02951	5.5
111.00903	0.4
121.02956	1.6
123.00842	0.8
123.04513	1.0
124.01682	0.8
125.02450	9.1
133.02927	1.0
134.66869	0.3
135.04486	0.8
136.01628	0.5
137.02440	6.7
139.00429	0.3
139.03979	0.5
145.02902	0.4
147.04550	0.3
149.02434	2.5
150.03178	0.3
151.00365	0.4
151.03992	1.5
152.01167	3.1
153.01935	4.7
161.01244	0.4
161.02457	4.8
162.03203	0.9
163.00462	0.3
163.04108	0.5
164.00070	0.2
164.01218	2.0
165.01933	3.3
166.02776	0.6
167.03499	1.8
169.01411	0.3
175.00412	0.3
175.03850	0.4
175.11641	0.3
177.01927	2.6
177.05582	0.4
178.02718	0.5
178.99846	0.8
179.03453	1.0
183.02977	0.4
189.01929	0.5
190.02654	1.6
191.03481	0.9
192.00642	33.8
193.01408	41.8
194.02199	2.4
195.02975	7.7
205.01379	1.4
206.02211	1.1
207.02966	8.3
221.00899	0.9
222.01625	1.3
227.03529	0.3
234.01668	4.2
235.02457	4.0
237.03917	0.5
249.04076	1.8
255.05141	1.9
261.59702	0.3
269.04541	0.9
286.13608	0.3
287.05508	2.5
305.06757	1.5
310.98767	0.3
312.04895	1.7
313.05453	0.7
317.06775	0.4
327.07233	1.2
448.06464	1.0
463.08810	100.0
464.09286	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	921.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14407	0.2
67.01896	0.3
68.66864	0.2
69.13263	0.6
69.13688	0.9
73.22630	0.2
74.29267	0.2
78.03447	0.2
79.01873	0.2
81.03444	0.4
81.89032	0.2
82.96948	0.2
83.01373	0.5
85.20908	0.2
86.29129	0.2
92.43221	0.2
93.03473	0.4
95.05042	0.2
104.07708	0.3
105.03449	0.7
107.01395	0.8
108.02182	0.3
109.02949	10.0
117.03450	0.2
121.02947	1.2
123.00912	1.7
123.04521	0.3
124.01672	2.6
124.02516	0.4
125.02447	15.1
133.03021	0.2
135.04585	0.3
136.01625	0.4
137.02460	1.6
138.03207	0.6
139.00412	0.5
139.04018	1.1
140.01152	0.3
145.02977	0.6
148.01645	0.4
149.02455	2.4
150.03131	0.2
151.00381	0.7
151.04001	1.0
152.01109	0.4
153.01935	22.0
161.02454	4.5
162.03174	0.5
163.03912	0.3
164.01141	2.4
165.01938	3.0
166.02649	1.0
166.99899	0.3
167.03508	1.2
168.00645	2.4
169.01424	5.5
173.02390	0.3
177.01926	0.9
177.05469	0.3
178.02673	0.4
178.99812	0.7
179.03477	1.2
183.02963	0.9
189.01898	0.5
190.02734	1.4
191.03461	1.0
192.00638	27.6
193.01404	39.5
194.02162	3.3
195.02902	0.7
204.43462	0.2
205.01428	1.0
206.02206	1.3
207.02971	8.9
211.02470	6.4
221.00902	0.6
221.04562	0.3
222.01714	1.0
223.02496	0.6
225.04073	0.6
234.01666	4.0
235.02473	4.0
237.04045	0.5
249.03996	1.7
257.08167	0.2
268.53268	0.2
269.04498	0.6
271.04562	2.2
287.05612	3.1
295.04532	0.4
305.06625	2.8
312.04950	2.6
313.05673	3.1
327.07227	2.3
441.08289	3.3
464.05908	0.7
479.08289	100.0
480.08539	2.5
612.60718	0.3
677.31506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	1.1
65.25401	0.3
69.46498	0.7
83.01394	0.7
84.98357	0.3
101.02445	0.3
105.21432	0.3
107.01400	2.0
108.02137	0.5
109.02957	0.9
118.96237	0.3
121.02902	1.9
125.02431	0.4
135.00906	0.4
148.01622	0.7
149.02461	0.5
151.00371	8.8
153.02058	0.4
163.00368	2.3
164.01228	0.4
178.99872	4.3
183.04533	0.3
195.06577	0.4
199.03952	0.3
211.04033	0.7
215.03447	0.3
225.07587	0.4
226.02643	0.5
227.03485	1.9
228.04340	0.3
229.05000	0.7
239.03499	0.3
243.02939	4.7
245.04448	1.3
254.02217	1.1
255.02968	12.2
256.03638	0.5
271.02475	24.6
272.03128	0.9
273.03961	1.0
283.02539	0.9
289.62799	0.3
299.02100	0.6
300.02734	56.1
301.03510	41.3
302.03839	0.6
332.07010	0.3
390.28204	0.3
418.09732	0.3
429.21344	0.9
439.34189	0.3
447.09302	100.0
448.09598	2.3
534.14789	0.3
569.91724	0.3
594.16071	0.3
713.05389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	0.9
67.19941	0.2
68.48576	0.2
68.57485	0.2
76.62004	0.2
80.67411	0.2
80.77923	0.2
83.01402	1.0
91.01860	0.3
93.03436	0.2
97.48956	0.2
98.22664	0.6
107.01395	2.0
108.02168	1.1
109.02931	1.6
121.02980	1.5
125.02415	0.2
135.00839	0.6
148.01691	0.6
149.02449	0.2
151.00369	9.0
158.43773	0.2
161.02388	0.2
163.00378	2.1
164.01166	0.6
173.67519	0.2
178.99838	4.2
183.04475	0.4
187.03998	0.3
190.99911	0.4
192.00587	0.2
193.01666	0.3
199.04045	0.3
201.05569	0.4
203.03479	0.3
211.04071	1.2
215.50140	0.3
226.02676	0.5
227.03479	2.1
229.05032	1.0
243.02962	4.5
245.04640	1.4
254.02211	0.9
255.00874	0.2
255.02972	13.7
271.02469	26.7
272.03149	1.1
273.04028	0.7
283.02390	1.3
287.01822	0.3
292.35092	0.3
299.01785	0.5
300.02731	50.4
301.03510	36.9
302.03906	0.3
315.01443	0.4
316.02209	0.3
331.04623	0.2
447.09296	100.0
448.09717	2.2
542.17938	0.3
761.48438	0.3
824.43866	0.3
830.37164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94975	0.4
66.71996	0.4
71.01376	0.7
73.02938	1.1
83.01367	0.4
89.02438	0.5
95.01426	0.4
96.02169	0.5
101.02428	0.8
108.02202	1.8
119.03358	0.4
123.00902	0.7
124.01686	2.3
136.01624	0.5
137.02437	1.0
138.03229	0.8
150.03181	0.6
152.01151	2.8
153.01947	0.9
165.01915	0.4
166.02725	0.9
167.14360	0.6
221.15448	9.3
237.14951	8.7
249.14944	45.0
250.15343	1.1
251.16525	1.3
265.14435	100.0
266.15182	10.7
267.15964	7.6
278.15036	0.7
279.16000	3.6
280.61353	0.3
291.15961	0.6
307.15445	1.4
323.32275	0.4
411.20193	1.1
427.19717	2.1
428.20514	1.5
429.21060	2.7
453.21347	3.4
468.25903	0.4
469.20746	1.3
470.21643	4.3
471.22275	4.4
615.26697	0.5
632.26971	8.2
633.27600	19.6
634.27386	0.5
675.28668	11.8
772.57251	0.5
795.33081	0.8
837.33954	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	925.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94975	0.4
66.71996	0.4
71.01376	0.7
73.02938	1.1
83.01367	0.4
89.02438	0.5
95.01426	0.4
96.02169	0.5
101.02428	0.8
108.02202	1.8
119.03358	0.4
123.00902	0.7
124.01686	2.3
136.01624	0.5
137.02437	1.0
138.03229	0.8
150.03181	0.6
152.01151	2.8
153.01947	0.9
165.01915	0.4
166.02725	0.9
167.14360	0.6
221.15448	9.3
237.14951	8.7
249.14944	45.0
250.15343	1.1
251.16525	1.3
265.14435	100.0
266.15182	10.7
267.15964	7.6
278.15036	0.7
279.16000	3.6
280.61353	0.3
291.15961	0.6
307.15445	1.4
323.32275	0.4
411.20193	1.1
427.19717	2.1
428.20514	1.5
429.21060	2.7
453.21347	3.4
468.25903	0.4
469.20746	1.3
470.21643	4.3
471.22275	4.4
615.26697	0.5
632.26971	8.2
633.27600	19.6
634.27386	0.5
675.28668	11.8
772.57251	0.5
795.33081	0.8
837.33954	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	925.48
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87270	0.8
68.99798	2.0
69.56425	2.2
71.01008	1.5
71.01382	21.9
72.99297	1.9
73.02937	1.4
75.00870	2.7
81.98175	0.9
83.01383	4.1
84.87299	0.8
85.02942	10.7
88.98809	1.7
89.02435	13.2
95.01380	7.8
96.95974	0.8
97.02982	1.2
98.22576	1.7
99.00885	4.7
101.02446	8.7
112.01633	2.0
113.01811	1.0
113.02451	13.0
119.03481	3.5
127.28452	0.9
139.00320	0.9
153.43115	0.9
157.01369	1.6
163.96030	0.9
453.33618	4.3
455.03415	0.9
455.35385	6.4
537.36157	1.3
549.36176	1.6
551.37415	3.4
569.38391	2.5
925.47992	100.0
926.48627	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	927.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00290	0.6
66.45833	0.6
69.50569	1.8
69.50959	1.4
81.03442	1.1
83.01392	3.5
87.73816	0.6
89.03976	0.7
91.01851	0.8
93.03456	1.3
95.01373	1.7
95.05004	1.2
96.96005	3.6
104.86037	0.7
105.03452	2.9
107.01416	0.8
107.04994	1.5
107.25730	0.6
109.02958	3.8
111.00880	1.4
111.04509	1.0
121.02933	3.8
123.00893	2.6
123.04498	1.2
124.01654	2.1
125.02437	100.0
126.02747	0.9
131.05034	1.9
133.02960	3.1
136.38542	0.7
137.02444	11.4
138.03223	1.5
139.03990	2.8
143.05020	1.0
145.02946	1.2
147.00848	0.9
147.04506	1.2
149.02411	7.3
151.04018	8.2
155.05019	0.8
157.02985	0.8
157.06552	0.7
159.04518	2.4
160.01671	1.2
161.02426	22.1
161.06110	1.0
162.03079	0.8
163.00345	2.9
163.04015	3.5
164.01154	2.0
165.01976	4.3
166.02696	1.1
167.03551	4.6
169.01408	12.4
171.04491	1.5
173.02406	1.5
173.06039	1.5
175.00351	2.7
175.03992	18.0
176.01198	0.8
177.01917	82.8
177.05310	4.2
178.02261	1.0
183.04495	1.5
185.02530	0.8
185.06068	1.2
185.13165	0.8
187.03996	4.9
189.01936	2.3
189.05568	1.4
190.02867	0.9
191.03496	3.6
193.01460	1.2
193.05083	2.1
197.06041	1.4
199.03967	9.4
201.01924	4.5
201.05643	4.3
203.03447	3.4
205.05037	2.5
207.03131	0.9
211.03996	2.5
212.04674	1.0
213.05574	3.0
214.02811	1.0
215.03554	3.1
217.01460	1.1
217.05031	10.6
219.03021	4.4
219.06856	0.8
223.03955	0.8
225.05566	1.9
227.03491	5.3
228.04225	1.1
229.01472	4.5
229.05058	4.8
231.02997	2.1
237.05620	0.8
239.03401	1.5
241.04999	4.4
243.02946	20.6
243.06723	1.1
245.04514	2.9
247.72896	0.7
251.03709	1.2
253.05107	1.8
255.02963	8.5
256.03708	2.6
257.04562	2.8
259.02695	2.3
259.05884	1.0
261.04001	8.0
267.02985	2.9
269.04517	6.1
271.06631	0.7
272.03387	0.7
273.03931	9.1
278.05847	0.7
279.03036	0.8
281.04538	1.6
283.02505	5.9
283.05573	1.4
284.03159	1.2
285.04016	42.0
286.04495	1.7
287.05585	14.8
295.02505	1.3
296.03278	1.2
297.04086	7.8
298.04880	1.3
299.05530	1.2
301.03522	4.4
303.05124	12.5
305.06754	3.3
309.04022	2.8
310.04767	0.8
313.03601	1.1
313.07025	0.9
315.06058	0.8
319.04703	2.4
322.04819	1.0
323.05646	1.6
325.03564	1.1
325.07339	1.4
327.05106	1.6
333.06018	0.9
337.07318	2.2
349.07349	0.9
367.08109	1.2
377.06583	1.2
379.08261	3.8
387.05200	1.0
403.04410	1.3
405.06113	9.3
409.05624	2.2
411.07132	6.1
421.05646	3.0
423.07184	70.4
424.07803	1.5
429.06644	0.8
435.07217	6.4
439.05939	0.9
441.08273	1.9
447.07162	11.4
451.07022	1.1
453.08334	1.0
459.19968	0.8
465.08051	7.1
471.09119	1.3
555.09082	3.9
573.10315	18.1
574.10767	1.2
575.11584	0.9
589.09839	5.3
591.11432	32.4
607.10858	7.2
608.11066	0.9
609.12885	1.3
631.10785	1.3
649.11890	1.3
662.30975	0.8
743.13190	2.8
757.14429	2.5
775.15021	10.5
927.15399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.4
69.03442	1.0
69.77393	2.8
81.03439	1.3
81.75188	1.0
83.01373	2.3
91.23131	0.9
93.03432	2.6
95.01366	1.3
97.03008	1.2
105.03462	2.8
107.05017	1.2
109.02936	3.0
111.04510	1.3
119.05013	1.3
121.02949	3.7
123.00892	3.1
124.01633	2.0
125.02442	100.0
126.02816	1.1
131.05055	1.8
133.02948	4.6
137.02429	9.8
139.03981	1.5
143.53775	0.9
145.02943	1.0
147.00896	1.3
147.04419	1.0
147.85100	1.1
149.02434	8.3
149.06071	1.1
151.04008	7.9
153.31708	0.9
154.96922	0.9
155.05032	1.0
159.04517	1.7
160.01602	1.1
161.02451	17.9
163.00328	3.7
163.03983	3.9
164.01038	1.5
165.01927	3.6
166.02682	1.7
167.03534	4.7
169.01448	10.5
171.04489	1.3
173.02345	1.1
175.00351	1.3
175.03995	17.1
176.01183	1.5
177.01921	72.5
177.05493	2.3
178.02396	1.1
183.04498	1.6
185.06059	1.2
187.04057	5.0
189.01868	1.8
191.03450	1.9
193.05025	1.8
197.06093	1.4
197.40015	1.0
199.03975	8.8
201.01895	3.7
201.05537	3.6
203.03474	3.8
205.04924	1.5
211.03940	2.3
213.05466	2.0
215.03477	2.8
217.05087	9.9
219.03001	2.7
219.06473	1.4
225.05632	1.7
227.03412	5.2
229.01344	4.2
229.05003	2.7
231.02911	2.1
239.03467	1.3
241.05069	5.8
242.02159	1.5
243.02986	18.6
245.04562	3.4
251.03352	1.6
255.03061	9.2
256.03647	2.2
257.04669	1.5
261.04037	5.4
265.04904	1.3
267.02887	2.4
269.01727	1.0
269.04465	6.0
273.03967	7.9
283.02478	5.0
283.05673	1.2
285.04044	38.5
286.04694	1.3
287.05576	13.3
295.02414	1.8
295.05887	1.1
297.03995	4.2
299.05475	1.4
301.03433	3.6
303.05096	10.3
305.06528	2.3
309.03983	2.8
319.04715	2.4
323.05499	3.3
327.05112	2.1
335.05630	1.6
337.07031	2.6
379.08087	3.4
405.06128	6.8
409.05728	2.1
411.07309	6.8
421.05634	1.6
423.07187	73.3
424.07333	3.2
435.07068	6.5
447.07208	12.1
453.07877	1.4
465.08218	5.6
471.09436	3.5
555.09326	3.5
573.10370	17.3
589.09637	5.0
591.11395	31.1
607.10626	5.3
631.10321	1.3
649.11536	2.4
743.12415	2.8
757.14288	1.3
775.15051	9.9
927.15594	1.0
951.39343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4945
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
71.01379	38.6
71.62676	0.6
72.99303	1.2
73.02940	8.8
83.01379	6.3
84.74938	0.7
85.02947	25.8
87.00860	2.5
87.49999	0.6
89.01923	1.0
89.02441	10.7
95.01376	2.4
97.02949	0.8
98.21686	1.1
99.00863	3.2
101.02439	25.9
112.01709	0.7
113.01693	1.2
113.02443	16.0
119.03498	2.8
125.02464	1.9
131.03496	5.5
143.03566	0.8
159.03029	1.9
161.04564	3.4
169.01585	0.6
217.83348	0.6
229.23267	0.7
243.85922	0.6
275.07758	1.5
286.42090	0.6
414.24728	0.7
576.54395	0.7
765.43744	3.5
927.49554	100.0
928.49567	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	929.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.7
69.40228	1.5
69.86404	0.3
71.01381	5.9
72.99326	0.3
73.02945	15.2
75.00877	0.3
81.07091	5.7
83.01385	3.0
83.05032	1.2
85.02941	1.7
89.02415	1.6
93.03451	0.3
94.04194	0.4
95.01382	0.8
95.05057	0.3
96.96038	0.4
97.02956	0.3
98.21836	0.7
101.02446	9.1
109.06590	6.1
113.02448	5.7
119.03495	1.3
123.04524	15.4
125.02454	0.6
125.06049	0.4
127.07652	32.2
128.07985	0.3
131.03506	1.0
138.03220	7.2
143.03503	0.8
149.04561	2.6
153.05573	100.0
154.05940	0.9
161.04555	5.5
171.06627	23.4
179.05611	0.9
187.11310	0.4
203.05589	0.5
221.06677	4.5
225.40785	0.3
285.09659	0.4
310.84036	0.3
375.12796	0.8
390.00101	0.3
393.13971	1.1
395.07156	0.3
420.14905	0.3
439.16068	61.0
440.16415	1.3
447.14893	0.4
481.17081	3.5
526.89362	0.3
619.22156	0.6
661.23468	39.1
662.23663	1.0
945.90118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21201	2.8
72.61772	0.4
76.18021	0.5
83.01401	0.6
87.97899	0.4
107.01394	1.5
109.02964	1.4
121.02938	1.4
125.02485	0.7
137.02483	0.5
148.01613	0.6
151.00368	7.7
157.25653	0.4
163.00372	1.9
167.03339	0.5
169.01465	0.7
177.01978	0.5
178.99857	2.7
197.81065	0.5
227.03444	0.7
229.05075	0.6
243.03020	4.2
245.04553	1.3
254.01979	0.7
255.02968	10.5
270.99521	1.1
271.02469	21.3
272.03085	0.8
273.04044	1.1
283.02554	1.1
300.02744	49.8
301.03510	36.8
302.03925	0.7
316.34213	0.5
447.09305	100.0
448.09659	2.8
491.71844	0.6
510.34509	0.5
799.84155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70065	5.5
99.00865	4.7
124.98766	2.8
137.02463	2.4
139.00377	12.8
140.01297	2.7
143.92584	2.5
166.00429	2.3
166.99829	3.0
167.10779	3.8
169.73651	2.2
180.26828	2.1
205.08719	2.5
209.08183	8.2
227.09186	8.7
237.07626	7.7
239.09312	11.9
251.09148	2.6
253.07098	7.9
255.08752	38.8
265.07123	3.1
267.08719	42.4
268.09271	3.4
281.06631	4.3
282.07391	6.2
283.08215	100.0
284.08795	3.3
309.09836	3.6
429.13962	5.1
445.13403	16.5
446.14456	3.9
608.19501	4.7
623.96442	2.9
771.25543	36.1
933.30554	46.2
966.41425	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	933.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43848	2.8
99.00888	5.0
111.00857	6.0
118.96964	2.8
121.70973	2.2
124.98808	10.6
125.02412	4.1
137.02518	4.3
139.00372	30.0
149.09659	3.4
155.10774	3.8
166.99835	8.9
188.53227	3.0
205.08752	2.7
209.08202	12.8
211.09767	3.0
213.89796	2.3
221.08203	3.4
225.07684	3.3
227.09193	12.3
237.07632	5.8
238.08514	4.0
239.09201	8.4
253.07146	14.9
254.07849	5.9
255.08722	39.0
267.08719	51.3
281.06589	8.4
282.07376	23.6
283.08224	100.0
284.09042	5.0
368.71896	3.1
429.14169	5.2
445.13419	76.0
445.19223	5.2
446.14169	6.0
536.90045	3.4
607.19061	4.2
608.19836	4.4
609.20331	4.5
770.25623	7.4
771.25531	70.9
933.30688	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86665	3.2
66.95203	3.0
68.27831	3.4
69.72231	3.2
71.01378	65.2
73.02554	6.3
73.02944	90.4
83.01384	27.2
85.02934	22.8
89.02448	14.7
95.01348	6.2
97.02932	3.7
99.00887	4.4
101.02438	90.5
113.02438	32.9
119.03497	7.1
124.01499	3.4
125.02419	9.2
143.03485	9.6
149.04562	13.8
155.03465	3.8
159.02943	4.7
161.04572	44.5
191.03535	3.4
203.05647	8.3
219.10208	5.0
221.06627	11.3
237.07663	10.0
237.11185	4.0
238.29305	3.2
269.89908	3.5
279.08701	5.6
315.18130	4.4
399.23709	19.7
441.24823	100.0
447.22369	51.5
463.27393	3.3
484.20959	4.4
485.19681	12.4
648.59058	3.6
718.78473	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	935.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00293	0.3
66.94994	0.2
68.82602	0.2
69.90224	0.5
77.18546	0.2
80.98492	0.2
84.82245	0.2
89.06316	0.2
107.01374	0.9
109.02940	0.5
124.01671	1.3
125.02424	0.6
136.01614	0.3
137.02451	2.0
151.00365	4.9
152.01138	0.8
163.00349	0.9
164.01166	0.8
169.01396	0.6
178.99850	4.9
180.23177	0.2
192.00612	0.4
193.01454	0.2
199.03912	0.2
203.03490	0.5
214.02690	3.6
215.03511	0.2
216.04305	0.3
223.13391	0.2
227.03484	0.8
232.03745	0.4
242.02177	3.1
243.03000	1.5
259.02451	2.7
261.04092	0.2
268.68637	0.2
270.01697	3.8
271.02466	21.7
272.02780	0.4
283.65271	0.2
287.01974	13.0
288.02591	1.0
299.02023	0.4
315.01517	0.3
316.02209	74.0
317.02957	14.0
318.02924	0.3
463.08810	100.0
464.09106	2.8
537.07666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31565	1.7
71.01376	3.6
73.02944	2.2
81.03427	0.7
83.01391	0.5
83.05025	0.6
85.02938	0.5
87.00887	0.6
91.01878	0.4
91.39743	0.3
93.03462	0.4
98.22588	0.8
101.02424	1.3
108.02180	1.3
109.02950	24.1
113.02415	0.6
113.06092	3.0
121.02946	0.7
121.33852	0.3
123.08097	0.4
124.01635	0.5
125.02448	1.2
125.06077	0.3
134.03754	0.3
135.08122	0.7
136.01669	0.4
137.06093	0.6
137.09702	3.1
139.07657	0.4
146.03586	0.4
149.02486	0.7
149.19446	0.3
150.03183	0.4
151.00391	0.8
151.04024	0.7
151.11308	0.6
152.01030	0.6
153.01935	26.8
153.08006	0.6
153.09216	9.0
161.02458	1.7
161.04543	0.4
162.03247	2.3
163.11263	1.1
164.01189	1.6
165.01923	0.4
165.09204	7.9
166.02713	1.0
167.03539	0.5
168.02998	0.3
169.01344	0.4
173.02483	0.7
175.07658	0.8
177.01967	1.0
178.02719	0.5
178.99826	1.0
180.23039	0.4
187.11264	2.3
187.82185	0.3
189.01950	0.7
190.02710	6.5
190.99905	0.4
191.03435	0.5
192.00639	24.3
193.01421	8.4
193.12289	0.7
194.02176	1.8
195.02966	1.1
203.05653	2.7
205.01466	3.2
205.04999	0.5
205.12320	7.5
206.02184	3.7
207.02983	8.6
208.11003	0.7
209.83669	0.4
217.01389	0.6
220.03790	0.4
221.00865	0.8
222.01738	0.9
223.13387	48.8
232.03722	0.6
233.00925	0.4
234.01677	15.8
235.02374	0.7
237.04073	0.7
245.00885	0.8
246.01735	1.5
249.01421	0.5
249.04048	10.1
255.05113	0.8
270.01596	0.4
271.02505	2.4
287.01837	1.7
290.52866	0.3
291.15854	0.3
294.03711	2.4
309.06201	3.4
312.04657	1.8
316.02182	6.2
317.03012	1.4
327.07123	1.0
329.14957	0.6
427.19788	1.2
448.06781	0.5
463.08810	100.0
464.09250	1.6
493.46890	0.4
514.33417	0.4
533.97382	0.4
534.05981	0.4
944.14050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92386	0.4
87.92538	0.3
95.01377	0.6
96.02177	0.3
104.92764	0.5
110.56339	0.3
111.96140	0.4
112.82331	0.2
123.00889	2.0
124.01668	0.6
152.01122	0.3
184.49135	0.3
195.17532	0.8
207.94633	1.8
208.95262	0.4
220.95433	0.7
221.96150	0.3
234.96991	0.3
247.94089	1.0
248.94923	0.8
251.16513	0.5
265.18091	1.1
293.17618	2.6
302.95892	0.8
305.04776	0.4
309.66333	0.3
321.11661	0.5
330.95346	0.9
331.06320	0.3
331.96082	0.7
344.97308	1.4
346.08899	1.6
347.09375	0.4
348.10214	0.6
349.11017	9.1
359.68207	0.3
361.11017	1.3
365.10425	0.9
374.11591	0.7
380.09238	0.8
389.10544	7.5
444.30283	0.3
471.10892	0.6
472.11713	0.5
541.29779	0.4
543.27869	1.0
585.28839	0.7
612.28772	0.4
613.28296	20.9
614.29047	0.6
640.28497	1.7
641.27808	100.0
642.27979	2.5
738.21704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6418
Annotation	Unknow
Peak:m/z	Relative Intensity
75.07837	1.0
85.51134	1.1
90.26728	1.1
98.21875	2.6
108.21820	1.2
109.02948	1.3
122.41535	1.1
125.02452	4.2
169.01401	2.5
266.13168	1.0
451.32709	1.4
529.35748	1.1
693.64771	1.1
903.65857	1.9
939.64130	100.0
940.63580	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	941.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36062	2.7
81.03474	1.3
83.01400	3.2
90.11768	0.6
93.03440	0.7
95.05031	1.8
105.03458	3.6
108.02189	0.7
109.02957	2.3
114.14583	0.6
119.05086	0.6
121.02930	1.2
123.00900	1.1
123.04591	0.9
125.02444	100.0
133.02972	1.6
136.75473	0.6
137.02444	12.3
139.04053	1.4
140.08798	0.6
142.66905	0.5
142.93901	0.5
147.00879	0.7
149.02451	3.0
151.00414	0.6
151.04047	3.0
152.01183	0.8
161.02444	35.3
163.00351	1.5
163.04004	1.1
164.01140	1.1
165.01944	1.9
167.03519	5.6
167.91676	0.5
169.01407	4.6
169.26364	0.7
170.07033	0.7
175.04031	6.4
177.01924	28.8
177.05493	3.4
182.02272	0.8
183.04446	1.0
187.04001	1.0
189.01942	0.8
191.03571	0.9
192.00642	1.1
193.01323	1.2
193.05206	0.8
197.04521	3.3
197.06136	1.0
199.04010	2.3
201.01927	1.7
201.05580	2.2
203.03545	1.5
205.05132	1.2
215.03491	1.1
217.05072	3.6
218.05428	0.6
219.02969	1.6
219.06566	1.4
225.05638	0.9
227.03560	2.6
229.01474	2.3
229.05125	1.9
241.05118	2.1
243.02997	5.9
243.06657	1.6
245.04518	2.0
255.02997	2.2
256.03796	1.1
257.04504	0.8
261.04047	2.5
267.02823	1.0
269.04544	5.6
273.04031	3.7
281.04358	0.7
283.02576	2.1
284.03256	0.8
285.04025	14.1
287.05600	20.7
297.04025	1.7
299.05664	1.0
301.03598	1.7
303.04990	3.1
305.06635	4.6
309.04001	1.0
313.07562	0.7
319.04739	1.0
323.05569	0.8
337.07220	1.0
379.08310	0.9
405.06348	3.7
407.07773	0.6
411.07196	2.1
421.05573	0.8
423.07205	25.0
435.07385	1.4
447.07071	4.0
463.09082	1.5
465.08493	2.3
484.42401	0.6
555.09375	1.6
573.10309	6.6
591.11536	11.6
603.11530	1.3
621.12866	1.8
771.14764	0.9
789.17383	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	941.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45099	2.1
81.03484	1.7
83.01397	3.4
93.03472	2.2
95.01373	1.6
105.03426	2.5
109.02952	4.2
121.02962	3.5
123.00935	2.6
124.01662	2.7
125.02445	100.0
131.05034	1.4
132.73260	1.3
133.02969	2.0
137.02464	10.0
138.03255	1.3
139.04001	3.6
149.02452	8.4
151.00401	1.6
151.04034	10.9
159.04482	2.6
161.02443	15.4
163.00371	2.7
163.04001	3.2
164.01152	1.6
165.01924	4.5
167.03485	5.1
169.01436	13.1
173.02377	1.3
173.06070	2.1
175.04005	18.5
177.01926	64.4
177.05519	2.2
178.02232	1.4
183.04477	1.6
187.04015	3.9
189.01891	1.8
191.03535	1.8
193.05147	1.8
199.03981	8.2
201.01910	4.3
201.05574	3.3
203.03497	2.7
205.05052	3.0
211.03940	2.7
213.05621	2.1
215.03523	2.3
217.05066	8.3
219.02979	3.7
219.06598	2.7
227.03391	3.8
228.04251	1.7
229.01457	3.2
229.04988	4.0
231.03064	2.2
241.05075	4.9
243.02950	13.7
245.04553	2.1
255.03020	4.9
256.03775	2.8
257.04681	2.1
261.04053	5.0
269.04529	5.7
273.03986	7.8
283.02374	4.5
285.04028	30.3
287.05576	9.2
295.02481	2.3
297.04053	4.6
301.03488	4.1
303.05005	8.9
305.06641	3.8
309.04169	2.3
316.02271	1.7
319.04678	3.0
323.05560	2.4
337.07059	2.2
379.08203	2.1
405.06137	3.3
409.05875	1.7
411.07175	6.1
421.05807	2.7
423.07217	61.1
435.07266	6.3
441.07959	2.3
447.07086	9.4
463.08841	4.3
465.08456	4.5
555.09369	2.7
573.10297	14.3
591.11328	26.1
603.11267	2.6
621.12842	7.2
659.04315	1.7
789.17059	3.9
792.59003	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	941.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09134	0.5
69.88260	1.4
71.01379	7.9
73.02932	3.5
83.01395	1.5
85.02940	3.2
87.00879	1.1
87.86852	0.5
89.02428	3.8
93.15186	0.4
95.01405	0.9
99.00903	0.9
101.02451	7.4
105.93904	0.4
108.02168	1.4
108.38353	0.5
109.02934	0.6
109.61144	0.4
113.02436	3.6
119.03503	0.9
121.87356	0.5
123.04498	1.6
125.02402	0.9
129.01965	0.8
135.04501	1.0
137.02452	2.2
143.03461	0.6
148.09030	0.6
149.06088	0.5
151.03986	1.2
161.06001	0.8
164.31960	0.5
176.08405	7.8
177.09210	0.7
178.09979	0.9
190.09856	0.5
191.10767	16.0
193.08699	1.2
193.12376	2.6
194.09491	1.6
209.11816	38.1
210.12103	0.5
218.09453	3.7
227.63293	0.5
233.11870	1.7
235.13474	0.8
244.11137	0.6
251.12897	1.5
258.02264	0.5
259.13336	1.7
312.80737	0.5
353.16025	24.3
361.83182	0.5
371.17075	27.9
372.17490	0.9
379.21173	2.0
397.22165	1.0
413.18143	100.0
414.18448	2.5
431.73853	0.6
439.23376	7.4
755.74414	0.5
806.18561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43943	0.5
71.97979	0.4
73.06660	0.4
95.01373	0.4
101.02521	0.4
107.01379	1.4
109.02969	0.6
111.69855	0.4
124.01699	2.0
125.02432	2.3
126.02739	0.4
128.54630	0.4
137.02429	1.8
149.02489	0.5
151.00356	5.2
151.04189	0.4
161.02332	0.7
163.00375	1.1
164.01154	1.3
165.01926	0.6
168.00609	0.7
168.51271	0.4
169.01428	1.5
178.99863	5.0
180.57843	0.5
192.00648	5.0
193.01424	7.2
194.02188	0.8
203.03477	1.0
207.02998	1.4
211.02521	0.6
214.02725	3.3
215.03387	0.6
221.00893	0.5
227.03505	1.1
232.03824	0.8
234.01720	1.0
235.02464	0.7
242.02220	3.3
243.02959	1.5
259.02475	3.3
270.01776	4.4
271.02463	24.2
272.02737	0.5
287.01950	12.3
288.02582	1.3
299.02252	0.5
312.04913	0.4
315.01480	0.8
316.02209	74.4
317.02966	15.3
318.03143	0.5
433.11319	0.5
439.80969	0.4
461.07346	0.6
463.08813	100.0
464.09253	3.7
465.09390	0.6
479.08258	14.8
479.24924	0.8
560.73419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.4
69.55009	0.9
69.55412	0.6
71.01380	5.3
73.02941	4.6
74.55725	0.3
75.85496	0.2
80.38756	0.3
81.03449	0.3
83.01376	0.6
83.05019	1.0
85.02943	1.2
85.06609	0.7
87.00876	0.6
94.22941	0.3
95.05003	0.4
97.02943	0.3
99.00864	0.5
99.04506	0.6
101.02449	2.1
103.76834	0.3
109.02988	0.4
109.06573	0.5
113.02448	1.1
113.06091	6.3
121.02932	0.4
121.06568	0.4
123.08163	1.1
125.02436	0.8
125.06113	0.4
125.09737	0.6
135.08170	1.0
137.06081	1.2
137.09731	5.0
139.07666	0.5
141.09221	0.4
143.03522	0.3
149.09746	0.6
150.06886	0.4
151.07625	0.4
151.11281	1.1
153.09215	16.2
161.04555	1.0
161.09773	0.5
163.11296	3.0
165.09203	17.2
175.07629	1.2
177.12863	0.5
181.12294	0.5
187.11292	4.8
189.09209	0.3
190.10027	0.9
192.00607	0.6
193.01463	0.6
193.12337	1.3
195.13866	0.8
203.05612	5.5
205.12326	12.3
207.02940	0.4
208.11060	1.9
221.11949	0.3
223.13390	100.0
224.13715	1.4
229.60875	0.3
251.12859	0.7
253.07257	0.3
273.28134	0.3
291.50400	0.3
342.41956	0.3
367.17456	0.6
427.19861	0.8
463.08817	0.6
479.08182	1.3
479.21088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08039	1.4
69.08460	1.8
71.01370	0.8
72.39521	0.6
80.00489	0.5
83.01364	1.7
84.46165	0.6
89.02428	1.0
95.01342	0.7
98.22636	0.8
108.02135	1.3
109.02931	0.8
113.02431	0.7
121.02888	1.3
122.03710	1.4
123.00858	1.3
123.04494	0.7
124.01664	11.5
125.02429	1.4
136.01616	0.9
137.02426	0.9
138.03171	1.5
139.00388	2.9
141.97717	0.6
143.90491	0.5
150.03247	1.3
151.11230	0.7
152.01100	0.7
153.40904	0.5
169.01454	0.9
185.49101	0.5
189.12880	0.8
198.67926	0.6
199.11337	0.5
205.12430	0.8
215.10742	0.6
217.12315	8.4
233.11842	5.5
235.13362	2.0
249.11333	3.3
251.12936	2.4
261.11292	5.3
265.14545	0.6
267.12378	3.9
275.12744	0.7
277.10806	1.2
277.14474	0.6
279.12363	100.0
280.12888	1.3
281.13965	0.7
293.13852	1.2
295.11853	71.2
296.12582	7.1
303.12503	0.9
309.13501	1.4
321.13416	7.5
337.12939	8.9
338.13583	1.6
430.08871	0.6
441.17520	2.9
457.17062	1.8
458.18179	2.2
500.19553	0.8
603.23456	0.6
621.23920	19.6
663.25305	2.3
719.48840	0.6
783.29285	45.9
784.30042	1.4
825.31036	1.7
945.34363	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	949.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47719	0.3
69.90763	0.6
69.91073	0.4
71.01369	0.4
73.02935	0.4
83.01381	0.7
87.37297	0.3
91.01929	0.4
97.43311	0.3
101.02446	0.6
101.32848	0.3
107.01385	2.1
108.02155	0.5
109.02964	0.7
110.35824	0.3
121.02946	1.3
125.02451	0.6
135.00957	0.4
148.01654	0.3
149.02412	0.4
151.00365	8.3
161.04482	0.3
163.00421	1.8
163.01608	0.3
164.01106	0.4
169.01416	0.5
178.99835	3.9
192.00687	0.5
199.04057	0.3
211.04036	0.9
226.02708	0.7
227.03406	1.7
229.04958	0.6
239.03590	0.4
243.02946	3.3
245.04561	1.2
254.02202	1.0
255.02972	11.1
256.03876	0.5
271.02463	20.2
272.03012	1.0
273.04028	0.6
283.02502	1.3
299.02032	0.4
300.02728	52.0
301.03510	40.1
302.03873	0.9
315.01947	0.3
415.23514	0.3
427.66977	0.4
447.09290	100.0
448.09515	2.3
449.09720	0.6
457.24619	2.4
463.07629	0.3
501.16052	0.6
611.95630	0.4
638.60504	0.3
844.02441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	0.2
71.36603	0.2
79.01889	0.3
81.03457	0.4
83.01379	0.4
93.03442	0.4
95.01405	0.6
95.05020	0.2
97.02929	0.3
101.73067	0.3
103.74946	0.2
104.21121	0.2
105.03455	0.6
107.01397	1.0
107.05028	0.2
108.02186	0.2
109.02942	0.4
111.00882	0.6
117.03422	0.3
121.02933	1.4
123.00881	2.2
123.04517	0.5
124.01668	3.3
125.02444	13.0
126.02789	0.4
127.00231	0.2
136.98773	0.2
137.02441	2.7
138.03264	0.5
139.00377	0.5
139.03999	0.9
140.01143	0.6
141.01839	0.3
145.02928	0.5
148.01721	0.4
149.02443	2.7
150.03160	0.4
151.00360	0.8
151.04005	0.7
152.01147	0.5
154.02751	0.2
161.02435	3.3
162.03221	0.8
163.00325	0.2
163.04002	0.7
164.01146	2.4
165.01921	3.2
166.02690	1.5
167.03482	0.9
168.00652	2.6
169.01421	7.7
173.02524	0.3
177.01941	0.9
178.02705	0.6
178.99864	1.0
179.03490	0.7
180.00792	0.3
183.02997	2.1
189.01970	0.6
190.02684	1.3
190.99883	0.2
191.03461	0.8
192.00639	32.5
193.01404	48.1
194.02176	3.4
195.02994	0.4
202.33879	0.2
205.01419	1.4
206.02165	1.3
207.02979	11.0
208.03397	0.3
209.04652	0.3
211.02461	7.6
221.00877	1.2
222.01582	1.2
223.02515	0.8
225.04010	0.6
233.04565	0.3
234.01657	5.0
235.02463	5.2
237.03987	0.9
249.04041	2.3
259.02689	0.2
269.04507	0.6
271.04568	2.5
276.02499	0.3
277.03455	0.3
287.05643	2.4
294.03836	0.5
295.04565	0.4
312.04822	3.2
313.05685	3.3
327.07224	2.5
337.68362	0.2
446.05099	0.3
464.05930	1.2
471.09348	0.3
479.08289	100.0
480.08569	2.4
491.88950	0.2
709.13446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.7
71.44026	0.2
71.47762	0.2
73.02930	0.6
79.01871	0.3
80.76022	0.3
83.01402	0.2
93.03477	0.4
96.35879	0.2
97.02945	0.4
101.02448	0.3
105.03470	0.4
106.66793	0.3
107.01392	1.0
107.05038	0.3
109.02918	0.5
111.00865	0.5
113.02430	0.7
118.10297	0.3
119.05023	0.4
121.02962	1.8
121.74938	0.3
123.00888	2.1
123.04529	0.4
124.01669	2.6
125.02435	6.3
130.42145	0.2
134.03670	0.3
135.04539	0.3
136.01630	0.3
137.02454	1.4
138.03206	0.5
138.06909	0.3
139.00363	0.6
139.04039	0.5
140.01158	0.4
141.01932	0.4
145.02936	0.5
148.01686	0.4
149.02423	2.2
151.00383	0.8
151.03967	0.4
152.08464	0.6
153.01895	0.9
153.09180	1.4
161.02449	1.4
162.03183	0.4
163.03975	0.6
164.01112	1.7
165.01910	2.5
166.02695	1.2
166.99820	0.4
167.03508	0.7
168.00607	2.7
169.01416	6.4
173.02426	0.3
177.01927	0.8
178.99843	0.4
179.03479	1.1
183.02965	0.9
189.01875	0.4
190.02742	1.3
191.03491	0.9
192.00638	30.3
193.01401	46.1
194.02199	2.6
195.02992	0.6
205.01392	1.2
205.12305	0.5
206.02191	1.6
207.02960	10.6
211.02472	6.4
221.00854	1.3
222.01680	1.2
223.02496	1.1
223.13423	0.5
225.04025	0.5
233.00851	0.3
234.01671	4.3
235.02470	4.6
237.04018	0.5
249.04013	2.3
265.64697	0.2
271.04553	2.5
284.26389	0.3
285.06012	0.3
287.05634	0.4
294.03766	0.4
312.04935	2.7
313.05643	3.3
327.07211	2.2
367.17587	1.9
427.19623	2.0
464.05936	1.3
471.08932	0.3
471.15259	0.7
475.96555	0.3
479.08282	100.0
480.08649	2.6
513.57294	0.3
765.77234	0.3
840.90729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.585
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05773	35.2
69.27202	100.0
69.27602	88.0
71.06519	33.7
83.10360	32.6
92.51796	36.5
96.96013	57.0
105.34523	38.7
110.36542	32.9
129.01967	50.4
157.18008	31.7
161.59274	41.3
177.77934	34.1
183.75182	30.4
473.27359	45.9
759.93811	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	953.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01906	0.6
71.01367	0.6
73.02947	0.3
81.03456	1.1
81.66725	0.3
82.24979	0.3
83.01381	6.1
90.69175	0.3
93.03471	0.6
95.01391	0.3
97.02961	1.0
98.22687	0.6
101.02491	0.4
103.93726	0.3
107.01384	9.0
108.02190	2.2
109.02943	1.6
111.00890	0.9
121.02929	2.2
123.00876	1.9
124.01669	3.2
125.02443	23.9
126.02798	0.5
126.48473	0.3
131.01353	0.7
133.02904	0.3
137.02441	1.6
137.06120	0.3
138.03201	0.6
139.00346	0.6
139.04007	3.3
149.02452	1.4
149.99649	0.4
151.00368	43.2
152.01147	4.7
153.01930	1.8
153.05557	0.8
155.03537	0.5
161.02438	0.9
163.55322	0.3
165.01901	1.8
166.02654	0.4
166.99814	0.5
167.03574	1.5
168.00604	3.1
169.01416	16.7
175.00363	3.7
177.01924	0.8
181.01439	0.8
182.02254	0.8
183.02975	5.8
190.02606	0.5
192.00644	5.6
193.01401	12.1
194.01871	1.8
197.04546	2.0
205.01436	0.3
207.03006	1.8
208.03319	0.4
211.02438	2.6
225.04019	0.5
234.01704	0.6
235.02405	1.1
239.05687	0.3
249.04134	0.4
271.04550	0.7
279.94083	0.3
280.13217	0.3
281.45697	0.3
295.04651	0.3
299.07684	0.3
312.04892	1.2
313.05527	1.0
327.07230	3.4
341.08902	0.7
352.19287	0.3
399.09320	1.6
467.12018	1.2
479.08286	13.3
480.08707	5.4
481.08856	3.2
511.10886	100.0
512.11243	2.1
841.07404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	0.5
73.02933	1.1
89.00962	0.4
101.02411	0.5
107.01373	1.5
109.02950	1.4
111.00877	0.8
116.97108	0.5
121.02968	1.0
123.00897	2.2
124.01653	3.0
125.02441	8.4
136.98773	0.5
137.02408	1.7
139.00395	0.6
139.04012	0.9
140.01129	0.9
145.02901	0.8
149.02411	2.5
149.03467	0.5
151.00327	2.1
152.01129	0.5
153.01938	1.2
161.02432	1.2
162.03215	0.8
163.03992	0.7
164.01183	2.4
165.01906	3.4
166.02702	1.3
167.03470	0.7
168.00648	2.8
169.01416	7.4
173.02444	0.6
175.00368	0.8
178.02634	0.5
178.99820	0.6
179.03448	0.8
183.02924	1.3
190.02719	1.4
191.03448	1.4
192.00630	31.7
193.01398	47.6
194.02042	4.2
205.01396	1.5
206.02257	2.1
207.02959	8.9
208.03464	0.5
209.04707	0.6
211.02478	6.9
221.00908	1.4
221.04556	0.6
221.63663	0.5
222.01733	0.9
223.02406	1.4
234.01662	4.0
235.02438	4.2
237.03983	0.7
249.04036	2.4
271.04514	2.6
276.02554	0.4
276.89203	0.6
312.04813	3.4
313.05634	3.4
327.07132	2.2
328.07806	0.4
363.92987	0.5
429.17456	3.2
464.05713	0.8
479.08286	100.0
480.08560	8.5
481.08731	6.5
511.10773	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	955.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83350	0.2
93.03449	0.2
95.04980	0.2
96.96011	0.3
103.01853	0.2
109.02914	0.2
115.01843	0.2
119.01348	0.3
121.02921	0.3
123.00838	0.7
124.01620	0.2
125.02441	1.5
131.01367	0.5
133.02925	0.2
137.02385	0.2
143.01389	0.3
145.02908	0.3
147.00774	0.2
149.02394	0.3
151.03990	0.2
159.00813	0.9
161.02386	0.6
163.00291	0.3
164.01114	0.2
165.01924	0.2
166.99858	0.3
169.01408	0.3
171.00911	1.3
173.02374	0.4
175.03931	0.2
177.01907	1.7
185.02399	0.6
187.00356	2.8
187.03918	0.3
188.01071	0.2
189.01921	0.3
191.03566	0.2
192.00636	2.7
193.01392	2.1
193.98578	0.3
194.01877	0.4
195.87395	0.2
199.00372	1.2
199.04085	0.3
200.01091	0.2
201.01926	0.6
207.02943	0.4
214.99875	5.5
216.00662	0.2
221.00829	0.4
229.01375	0.9
229.04970	0.2
234.01755	0.3
242.99313	14.3
244.10431	0.2
245.00974	0.3
254.99352	0.2
257.00952	1.1
270.98822	55.9
271.99298	0.7
283.99588	0.2
298.98312	100.0
299.98947	3.5
300.99881	6.4
405.06207	0.3
423.07227	0.5
431.19131	0.3
477.06693	0.7
479.08170	2.2
480.08768	0.9
481.08902	0.4
591.11536	0.5
601.07623	0.3
627.06805	0.7
771.79834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08737	1.7
69.09144	0.8
73.02955	0.4
93.03484	0.4
101.02430	0.4
108.02167	1.2
109.02945	4.7
110.69540	0.4
111.00883	0.4
121.02949	1.5
122.03783	0.5
123.00883	0.6
123.04527	1.0
123.81905	0.4
124.01638	1.1
125.02414	1.6
136.01645	0.8
137.02451	2.1
139.03995	0.5
145.02917	0.5
147.04514	1.1
148.01688	0.5
149.02415	2.3
149.87810	0.4
150.03192	0.4
151.00385	0.8
151.03973	1.7
152.01123	2.6
153.01938	6.2
158.93817	0.4
161.02440	1.4
162.03224	1.1
163.04010	1.1
164.01134	4.4
165.01913	3.2
166.02715	1.3
167.03471	1.1
168.00647	0.5
169.01366	1.1
173.02321	0.4
177.01939	1.5
177.05568	0.8
178.99869	1.8
179.03450	0.8
186.82291	0.4
189.01918	0.6
190.02711	1.6
191.03474	3.2
192.00636	52.5
193.01405	53.5
194.02165	2.3
195.01457	0.3
195.02965	7.1
205.01344	2.1
206.02202	1.6
207.02968	13.2
211.02432	1.5
215.96613	0.3
221.00880	1.5
222.01643	1.3
225.04047	0.9
234.01689	4.4
235.02457	5.0
237.03978	0.6
240.15570	0.4
249.04115	1.9
255.05110	1.8
259.02594	0.6
271.02127	0.7
287.01846	0.8
294.04065	0.4
312.04715	2.0
315.01520	0.5
316.02222	3.6
317.03320	0.4
327.07040	0.8
347.09784	0.7
377.10480	1.0
402.96167	0.5
448.06235	0.8
463.08792	100.0
464.09229	1.2
493.09857	25.0
494.10226	0.8
533.39819	0.4
558.65857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13832	1.5
81.03453	0.4
93.03424	0.5
94.25834	0.3
95.01410	0.6
98.21921	0.5
106.04283	0.4
107.01369	1.1
107.05008	0.3
108.80272	0.3
109.02920	0.5
111.00854	0.5
121.02979	1.5
123.00888	2.2
124.01660	4.4
125.01500	0.4
125.02444	7.8
133.02974	0.3
135.04526	0.5
136.01665	0.5
137.02434	1.6
138.03233	0.9
139.00368	0.7
139.03992	0.5
140.01164	0.8
141.01955	0.3
145.02951	0.8
146.03770	0.3
148.01659	0.6
149.02440	2.4
150.03146	0.3
151.03983	0.9
157.05438	0.3
161.02431	1.4
162.03239	0.6
163.04002	0.6
164.01163	3.3
165.01933	3.8
165.03253	0.5
166.02716	1.5
166.99864	0.5
167.03508	1.0
168.00642	2.8
169.01425	6.7
174.09317	0.3
177.01903	0.9
178.02724	0.9
178.99857	1.1
179.03557	0.8
180.00644	0.4
180.78149	0.3
183.03014	0.7
189.01865	0.6
190.02664	2.1
191.03499	0.9
192.00641	37.0
193.01408	44.7
194.02190	3.7
205.01375	1.8
206.02180	1.9
207.02980	9.6
207.04962	0.5
211.02463	6.1
221.00871	1.6
222.01692	1.6
223.02509	0.7
225.04169	0.7
234.01672	4.6
235.02483	3.6
237.04074	0.5
249.04120	1.9
271.04590	2.3
272.67361	0.3
294.03595	0.5
295.04495	0.5
296.66263	0.3
312.04907	2.9
313.05646	3.1
327.07138	1.9
383.41968	0.3
390.76276	0.3
399.28369	0.4
404.43491	0.3
464.06036	0.5
479.08304	100.0
480.08499	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	959.21
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81679	1.1
72.29497	0.3
83.01348	0.3
91.83135	0.4
102.64572	0.3
107.01393	1.4
108.02162	2.5
109.02940	2.1
112.16138	0.3
124.01690	1.7
125.02428	1.3
135.00900	0.4
137.02435	2.3
138.03143	0.4
151.00360	4.6
152.01146	2.2
153.01910	1.7
158.03705	0.3
163.00322	1.1
164.01178	0.9
167.03435	0.4
169.01421	1.1
178.99858	4.5
192.00652	0.5
199.04037	0.4
214.02725	4.1
227.03413	0.7
242.02208	3.7
243.02756	1.8
259.02444	3.2
270.01678	4.0
271.02457	21.1
287.01929	12.1
288.02667	0.9
316.02209	65.7
317.02954	13.3
346.06912	0.3
463.08801	100.0
464.09000	2.1
495.11475	3.5
569.28406	0.5
910.18414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.9
71.43710	0.5
73.18018	0.5
99.00858	4.1
99.60381	0.5
109.06543	0.6
110.45338	0.5
111.00874	2.4
121.03002	0.5
123.00897	2.1
124.01664	1.3
124.98813	3.6
125.02447	1.9
127.94296	0.5
131.81622	0.5
137.02443	1.3
137.99583	1.3
139.00363	10.0
140.01167	2.1
150.03293	0.8
151.11240	0.5
152.98317	0.7
153.01848	0.6
153.12874	1.0
154.99887	1.0
163.55637	0.5
166.02722	1.0
166.99847	2.3
167.14374	0.7
168.00635	1.4
169.01431	1.1
173.83636	0.5
177.12837	1.9
181.01440	1.0
183.13895	1.7
193.12399	0.9
195.13902	4.5
197.11853	0.6
199.13373	1.1
205.12381	1.2
209.11966	0.6
211.13339	3.6
221.11819	1.6
223.13336	0.7
227.12946	0.8
231.10300	0.8
233.11818	1.3
233.75209	0.5
234.26848	0.5
237.11322	14.3
239.12816	2.8
247.09724	0.6
249.11275	4.6
251.12885	1.9
253.10817	2.0
255.09691	0.8
255.12358	14.7
255.14897	0.9
265.10773	7.3
266.11551	0.8
267.12360	13.6
275.09409	0.6
277.10828	3.5
279.12469	1.0
281.10287	9.9
281.51114	0.5
282.11041	1.4
283.11871	46.9
293.10254	3.2
293.13495	1.0
294.11053	1.9
295.11868	48.6
296.12347	1.1
297.13519	0.6
309.09818	4.0
309.13489	1.5
310.10522	4.1
311.11356	100.0
312.12015	4.7
325.13071	1.1
337.12881	3.9
348.62296	0.5
353.12347	6.1
354.13123	0.8
457.17160	5.0
458.18121	0.7
468.40927	0.6
473.16577	12.8
474.17361	3.2
495.38895	0.4
515.17535	0.7
520.21198	0.5
619.23071	2.6
636.22565	3.8
637.23291	5.2
799.28723	38.3
841.29150	1.8
961.34015	54.8
962.34088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.7
70.50666	0.2
71.01380	5.8
73.02944	4.4
75.04404	0.2
80.78121	0.2
83.01385	0.7
83.05003	0.9
85.02950	1.2
85.06588	0.6
87.00870	0.6
89.02439	0.3
95.01400	0.2
95.04996	0.5
97.02926	0.3
97.06573	0.4
99.00882	0.5
99.04503	0.7
101.02426	1.5
101.71732	0.2
107.05042	0.2
109.02967	0.5
109.06573	0.4
109.26642	0.2
111.04473	0.2
113.02461	0.9
113.06089	6.7
116.03246	0.2
119.03462	0.2
121.02947	0.8
121.06603	0.4
122.03724	0.3
123.04518	0.2
123.08160	1.2
125.02449	1.1
125.06085	0.5
125.09698	0.5
131.03490	0.2
134.10339	0.2
135.04454	0.2
135.08167	1.2
137.06075	0.7
137.09718	5.9
139.07637	1.1
143.03519	0.3
147.08154	0.5
149.06107	0.3
149.09737	0.5
150.06895	0.3
151.07671	0.3
151.11282	1.3
153.01871	0.4
153.09212	14.8
159.91570	0.2
161.04533	0.8
161.05771	0.2
161.09717	0.6
163.11282	3.1
165.09198	16.5
171.08144	0.3
175.07593	1.3
177.12846	0.6
178.10022	0.3
179.10809	0.7
181.12308	0.4
185.09708	0.3
187.11273	4.4
189.09177	0.3
190.10011	0.8
192.00668	0.3
193.12341	2.2
195.13873	0.7
203.05600	6.4
205.12320	14.0
207.02983	0.3
208.11017	2.1
221.11723	0.2
223.13380	100.0
224.13708	1.4
230.15016	0.2
234.01675	0.3
251.12901	0.4
295.15366	0.3
305.63934	0.2
326.11725	0.2
342.35101	0.2
344.12625	0.5
359.15060	1.2
367.17776	0.4
427.19760	1.4
463.08768	0.9
491.19199	3.2
961.77808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6861
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.7
71.55082	0.5
80.05075	0.5
81.03461	5.8
83.05025	13.9
85.02908	0.5
96.96064	0.6
98.21848	0.9
105.03479	0.5
108.04575	0.6
109.02947	1.3
125.02455	8.0
125.07206	1.0
131.04926	0.4
137.02432	1.4
149.02385	0.5
151.03987	1.1
161.02428	1.1
165.01863	0.8
167.03479	0.6
169.01312	0.7
175.03984	1.6
177.01915	5.8
182.66725	0.5
192.00656	0.5
207.14954	1.1
217.05133	0.6
219.02934	0.6
224.17639	2.9
225.16055	9.1
243.02856	2.4
261.04047	0.6
287.05579	1.0
309.21948	0.8
326.06281	0.5
341.29425	0.9
367.27087	0.8
405.06439	0.7
423.07251	3.3
424.07639	0.6
450.34451	0.9
451.32898	7.6
550.43182	0.8
585.01855	0.6
677.49457	1.9
776.60449	0.8
903.66516	100.0
904.67181	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	965.329
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50421	0.8
70.50749	0.5
71.65434	0.5
74.76502	0.5
82.61529	0.6
89.12733	0.6
97.33729	0.6
107.01376	0.8
109.02933	0.9
113.02441	0.7
124.01682	0.8
125.02436	1.3
137.02454	1.6
151.00381	4.8
152.01135	0.8
163.00398	1.2
164.01109	1.0
169.01407	1.7
178.99828	4.0
192.00606	0.8
203.03485	0.7
214.02721	4.3
223.13393	2.6
231.03024	0.5
242.02165	3.2
243.02881	1.1
259.02429	2.8
270.01727	4.4
271.02484	21.5
287.01926	12.5
288.02643	1.3
316.02222	70.8
317.02988	13.8
340.28003	0.7
463.08826	100.0
464.09198	2.1
506.71332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	5.8
73.02942	4.6
83.01377	1.5
85.02931	2.1
89.02438	3.7
95.01366	0.9
100.60899	0.5
101.02443	6.9
109.02931	1.1
113.02438	4.3
119.03506	1.5
119.05019	2.1
121.02959	1.2
123.00867	1.6
124.01644	1.3
125.02433	2.7
131.03514	0.7
135.00777	0.6
135.04431	0.6
137.02446	2.9
138.03197	1.3
139.00435	0.6
139.04010	0.6
140.01076	0.6
143.03493	0.9
145.02948	1.6
147.04495	0.8
149.02417	1.5
149.04578	1.0
151.00383	0.6
151.03984	1.2
153.01912	0.9
161.02432	1.8
161.04562	3.1
164.01158	3.9
164.04758	0.9
165.01924	5.7
166.02689	1.4
166.06329	3.5
166.99800	1.2
167.03496	1.2
168.00626	1.2
168.15994	0.5
169.01451	1.1
169.38091	0.5
173.02423	0.7
177.01932	0.7
178.02786	0.6
178.99814	1.4
179.03424	0.7
179.05643	1.0
179.07115	0.8
180.04204	1.7
183.02962	1.3
189.01991	0.6
190.02698	1.1
190.05125	1.5
192.00633	62.5
193.01399	38.0
194.02090	1.2
195.03041	0.6
195.06642	3.0
205.01384	1.1
206.02168	1.3
207.02985	17.0
207.06561	1.9
210.01817	1.2
210.05319	6.2
221.00899	1.1
221.06624	1.7
222.01511	0.9
225.04031	1.2
225.07643	10.6
234.01738	3.2
235.02509	3.8
249.04048	1.1
295.65195	0.5
310.10681	0.6
369.19107	1.9
387.20111	1.8
417.15695	0.8
429.13934	9.3
429.21213	6.6
472.15985	3.5
473.16452	3.6
478.07477	2.1
493.09851	100.0
494.10144	2.0
507.73331	0.6
643.23798	2.4
869.32629	0.6
871.04175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01413	0.4
100.82009	0.4
108.43812	0.4
109.02977	0.5
113.02368	0.4
121.03018	0.5
121.06647	0.7
122.03748	1.0
123.04517	0.9
124.01662	1.7
125.02442	5.6
134.61063	0.4
135.04480	0.9
135.08160	0.7
137.02481	0.6
137.06068	1.1
138.03210	2.5
139.04005	2.3
147.08086	0.6
151.04012	2.1
152.04808	2.8
153.01942	1.5
153.09167	0.5
162.06688	0.5
163.07643	7.8
164.04837	3.5
165.01939	0.8
165.09171	1.2
166.02608	0.6
167.03481	1.6
169.01456	2.0
173.06096	0.7
175.03975	0.5
175.07620	2.7
177.01930	1.5
177.05550	1.6
178.06313	1.0
179.07117	0.7
181.08731	2.4
191.07133	22.3
193.08690	27.3
202.18277	0.5
207.06691	3.4
209.08215	2.5
223.33655	0.5
225.07672	11.0
237.07674	19.5
239.05637	0.8
239.09209	1.0
243.02911	0.5
253.07161	86.1
254.07921	6.1
267.08673	1.1
305.06885	0.5
377.02975	0.6
387.13013	7.6
399.13095	0.6
416.13202	9.8
417.13818	1.4
426.09201	0.5
579.19305	100.0
580.19769	3.4
642.43323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38363	1.4
69.38731	0.7
71.01383	0.6
83.01388	1.9
89.02446	1.1
91.17431	0.3
95.01395	0.5
96.02187	0.8
101.02472	0.5
108.02169	3.1
109.02956	0.6
111.00869	0.9
112.25140	0.4
113.02466	0.7
121.02995	1.0
122.03755	1.0
123.00880	2.0
123.04533	0.4
124.01656	12.7
125.02445	0.6
134.03708	0.4
136.01654	1.1
137.02454	1.1
138.03229	0.7
139.00380	3.0
150.03244	1.1
151.00273	0.4
152.01146	1.2
153.01941	0.4
160.05296	0.3
161.06175	0.4
163.04068	0.5
164.04762	0.3
177.01840	0.5
179.14413	0.6
207.17685	0.5
217.15976	1.0
233.15459	0.8
235.13275	0.5
235.16977	0.5
237.15030	1.2
243.13892	0.4
245.15448	4.8
251.16669	0.5
259.16998	0.4
261.14948	7.6
263.16586	2.3
271.13312	2.9
275.16568	0.5
277.14505	3.5
279.16110	2.6
287.01917	0.4
287.12955	1.0
289.14441	8.9
291.16104	0.5
295.15497	6.6
295.18799	0.5
303.16040	0.5
305.13943	2.3
305.17227	0.6
306.15244	0.5
307.15500	100.0
308.15945	1.6
309.17065	0.8
316.02148	1.8
317.02856	0.5
321.17111	1.2
323.14978	71.6
324.15686	7.5
331.15555	0.8
337.16534	1.3
349.16516	7.4
365.16013	7.0
366.16418	0.9
453.81412	0.4
463.08743	1.6
465.23062	0.7
469.20731	4.0
485.20306	1.8
486.21118	1.7
509.22748	0.4
599.68781	0.4
631.26147	1.9
648.26703	1.0
649.27106	20.1
650.27594	0.4
677.27850	0.4
691.28741	2.0
793.31464	1.3
811.32391	54.4
812.32520	1.8
853.33789	2.5
973.37531	11.9
974.39319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.4
71.45173	0.5
74.67274	0.4
78.31115	0.4
80.59909	0.4
81.03432	0.5
83.01381	1.3
85.52399	0.4
93.03461	0.9
95.04993	0.7
105.03458	1.5
108.02180	0.6
109.02930	1.2
109.86557	0.4
111.00832	0.4
117.03484	0.5
121.02942	1.2
122.00047	0.5
123.00893	1.7
123.04510	0.4
124.01681	1.7
125.02444	15.9
133.03062	0.5
136.01625	1.0
136.98831	0.4
137.02441	10.0
138.03238	0.7
139.03995	1.5
140.01073	0.6
145.02933	0.8
149.02441	2.0
150.03171	0.5
151.03979	1.1
161.02443	6.1
162.03156	1.0
163.04008	0.5
164.01163	5.2
165.01949	3.3
165.03143	0.6
166.02731	0.7
166.99869	1.5
167.03484	0.8
168.00594	0.7
169.01454	0.9
172.67879	0.4
175.03946	0.5
177.01982	1.0
177.05652	0.5
178.99864	2.1
179.03467	0.7
182.02174	0.7
183.02966	1.3
190.02704	1.7
190.99887	0.4
191.03326	0.5
192.00636	70.8
193.01404	43.1
194.02069	1.5
195.02933	0.7
197.04492	1.0
205.01401	1.3
206.02197	1.4
207.02968	21.4
210.01732	1.7
213.05449	0.5
217.05109	0.5
219.06610	0.6
221.00983	0.7
222.01726	1.1
223.02298	0.4
225.04001	1.6
227.03465	0.9
232.03775	0.7
234.01645	3.6
235.02406	3.4
243.02734	0.5
249.04016	1.2
269.04623	2.2
276.11481	0.5
287.05609	2.3
305.06720	2.6
309.06036	0.5
347.07663	1.3
447.32690	0.5
478.07532	1.7
493.09860	100.0
494.10342	2.3
495.10193	0.6
554.00244	0.4
637.18781	0.5
814.76276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	3.8
69.40865	12.0
71.01369	16.6
72.99268	5.2
75.00848	9.3
78.91885	3.6
85.02948	19.6
87.00853	8.1
89.02414	5.7
95.01384	4.0
96.95999	4.4
99.00906	15.1
113.02495	12.6
118.94638	2.3
121.02923	7.5
125.02444	5.9
163.75333	2.6
169.01436	6.3
175.02467	4.2
249.06105	4.1
253.04932	2.7
254.05759	3.5
263.06973	3.2
264.45874	3.0
267.06613	10.1
268.07227	4.8
269.08167	16.1
280.07468	3.3
281.08212	8.0
283.09732	18.2
284.10501	4.2
295.09735	7.2
296.10468	2.7
311.09238	10.0
322.08533	3.2
323.09140	7.6
325.10724	6.4
328.09283	3.3
337.10608	3.8
340.09320	7.9
341.10089	4.8
343.11832	28.2
355.11780	18.6
516.41461	2.7
554.08826	3.1
605.18988	3.0
949.31451	24.7
950.35846	2.9
961.30322	3.7
979.32227	100.0
983.57227	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	979.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95329	1.6
71.04656	0.8
71.05019	15.7
73.02932	2.0
83.05030	2.7
85.02934	1.5
87.04497	1.0
96.95985	0.8
98.22585	0.6
107.53579	0.6
110.03685	0.7
112.01661	2.8
112.05251	0.7
113.02462	0.6
118.69667	0.5
127.00351	1.0
156.13530	0.6
161.12451	0.5
201.05611	0.5
207.17502	1.0
209.19199	0.6
224.53178	0.5
225.18637	1.2
237.22220	100.0
238.22594	1.4
249.22247	0.9
251.20090	0.8
264.17233	1.4
265.21722	11.8
275.20200	0.8
281.21121	1.0
293.21213	72.7
294.21661	1.0
297.53268	0.5
337.20200	72.8
338.20636	1.2
505.87741	0.6
745.29401	0.6
935.45624	1.2
979.44226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.7
71.01377	1.8
72.36999	0.4
73.02935	0.9
75.92595	0.4
78.86548	0.4
80.44698	0.4
83.01398	0.9
85.02943	0.6
85.24531	0.5
86.67759	0.4
89.02454	1.6
95.01370	0.5
97.02965	0.8
99.00913	0.5
101.02436	0.6
108.02179	1.6
109.02951	1.4
111.00878	1.0
113.02435	1.1
115.91610	0.4
119.03512	0.6
121.02955	0.8
122.03698	1.0
123.00871	2.4
123.04539	0.6
124.01668	6.4
125.02449	8.8
126.02793	0.9
134.03719	0.7
136.01683	1.4
137.02448	2.8
138.03223	3.9
139.00380	5.2
139.04041	0.5
148.05304	0.5
149.02469	0.9
149.06097	0.9
150.03215	4.0
151.04008	0.9
152.01169	2.0
153.01907	0.5
163.03954	0.5
164.04773	2.2
165.01915	1.2
166.02638	0.8
167.03525	1.1
169.01410	4.8
170.01787	0.7
175.04001	0.7
177.01933	2.9
180.00648	0.5
219.13945	0.4
231.14040	0.7
233.15503	4.8
235.13408	7.6
241.12317	0.5
243.02960	1.0
243.13837	6.1
245.11823	1.0
249.14864	3.5
251.12874	4.0
255.02962	0.7
259.13437	3.2
261.04074	0.6
261.14932	36.5
263.12863	88.5
264.13614	2.5
265.14423	1.6
271.02393	0.5
275.12885	1.3
275.16724	0.5
277.14444	28.2
278.15247	2.8
279.12372	56.9
280.13077	9.6
281.13910	5.4
285.03946	0.7
287.12939	4.7
289.14426	0.6
291.16037	0.6
293.13983	2.7
299.01910	1.6
301.03506	1.5
303.05072	0.6
303.12350	1.2
303.15887	0.7
305.13943	20.5
307.15417	1.1
311.14923	0.6
317.13782	0.8
319.04492	0.6
319.15369	1.3
321.13400	11.9
322.14197	1.9
323.14975	100.0
324.15344	1.5
325.16562	0.8
329.13919	2.4
335.15295	0.6
339.14459	68.6
340.15155	10.6
347.14926	4.6
353.16107	0.6
363.14508	3.8
365.16083	4.4
381.15540	7.5
425.18192	1.7
441.17575	1.2
442.18353	3.2
443.19424	0.6
467.19128	1.0
485.20142	3.2
501.19751	1.6
502.20691	2.0
605.24768	2.5
609.14459	2.5
629.25232	0.6
647.25787	3.0
664.25647	0.6
665.26550	20.1
689.26263	0.6
707.27783	1.2
767.30322	2.8
809.30573	3.4
827.31879	80.5
828.31488	2.8
851.32166	0.9
869.33575	2.1
989.37189	45.4
990.37524	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	989.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43351	0.3
81.24066	0.3
84.43278	0.3
104.12875	0.3
197.19043	0.3
213.18596	1.3
241.18088	100.0
242.18495	1.2
263.03607	0.3
295.57059	0.3
311.22131	0.6
313.16568	3.3
331.76514	0.3
532.64459	0.4
989.52338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.3
71.01379	0.3
73.02917	0.2
79.01929	0.4
81.03453	0.8
83.01382	5.2
87.26929	0.2
93.03467	0.5
93.25171	0.1
94.27273	0.2
95.01388	0.4
95.05019	0.2
96.02157	0.2
97.02954	1.0
103.01919	0.2
105.03436	0.2
107.01389	9.9
108.02192	1.4
108.99311	0.2
109.02975	0.9
111.00871	0.6
113.02442	0.3
121.02939	1.9
123.00868	1.3
123.04507	0.2
123.98927	0.2
124.01665	3.0
125.02448	19.9
126.02792	0.2
127.00329	0.3
131.01402	0.7
136.07649	0.2
137.02452	1.6
138.03258	0.6
139.00414	0.3
139.04016	3.5
149.02405	1.2
149.99611	0.3
151.00369	39.6
152.01166	3.5
153.01907	0.6
153.05566	0.7
161.02417	0.3
163.03981	0.3
165.01907	1.5
166.02666	0.3
166.99873	0.8
167.03511	1.0
168.00624	2.4
169.01418	13.3
175.00352	3.4
175.01732	0.3
177.01971	0.3
179.03528	0.2
181.01440	0.6
182.02240	0.7
183.02983	5.4
189.02042	0.2
191.27632	0.2
192.00650	1.5
193.01410	5.4
194.02272	0.2
197.04558	1.9
205.01439	0.5
207.02994	0.4
211.02475	1.3
217.01581	0.2
224.03122	0.2
225.04031	0.5
234.01683	0.3
235.02348	0.3
239.05681	0.3
271.04669	0.2
299.07703	0.4
312.04852	0.6
313.05551	0.8
326.06470	0.3
327.07254	2.9
341.08786	0.8
399.09375	1.5
467.12308	1.2
467.18021	0.3
479.08322	4.4
480.08884	0.3
511.10892	100.0
512.11292	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	996.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21204	100.0
96.96040	61.7
123.31193	54.6
139.54082	55.9
155.10951	70.4
265.83856	65.3
291.20490	60.6
312.57111	72.0
348.04114	66.7
392.94574	68.4
579.80756	86.6
END